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- sabdab_dataset/1bbj/abangle/1bbj.abangle +3 -0
- sabdab_dataset/1bbj/annotation/1bbj_A_VL.ann +109 -0
- sabdab_dataset/1bbj/annotation/1bbj_B_VH.ann +114 -0
- sabdab_dataset/1bbj/annotation/1bbj_H_VH.ann +114 -0
- sabdab_dataset/1bbj/annotation/1bbj_L_VL.ann +109 -0
- sabdab_dataset/1bbj/sequence/1bbj_A_VL.fa +6 -0
- sabdab_dataset/1bbj/sequence/1bbj_B_VH.fa +6 -0
- sabdab_dataset/1bbj/sequence/1bbj_H_VH.fa +6 -0
- sabdab_dataset/1bbj/sequence/1bbj_L_VL.fa +6 -0
- sabdab_dataset/1bbj/sequence/1bbj_raw.pdb +8 -0
- sabdab_dataset/1bbj/structure/1bbj.pdb +0 -0
- sabdab_dataset/1bbj/structure/chothia/1bbj.pdb +0 -0
- sabdab_dataset/1dsf/abangle/1dsf.abangle +2 -0
- sabdab_dataset/1dsf/annotation/1dsf_H_VH.ann +119 -0
- sabdab_dataset/1dsf/annotation/1dsf_L_VL.ann +112 -0
- sabdab_dataset/1dsf/imgt/1dsf_H_H.ann +3 -0
- sabdab_dataset/1dsf/imgt/1dsf_L_L.ann +3 -0
- sabdab_dataset/1dsf/sequence/1dsf_H_VH.fa +6 -0
- sabdab_dataset/1dsf/sequence/1dsf_L_VL.fa +6 -0
- sabdab_dataset/1dsf/sequence/1dsf_raw.pdb +4 -0
- sabdab_dataset/1dsf/structure/1dsf.pdb +0 -0
- sabdab_dataset/1dsf/structure/chothia/1dsf.pdb +0 -0
- sabdab_dataset/1i9i/abangle/1i9i.abangle +2 -0
- sabdab_dataset/1i9i/annotation/1i9i_H_VH.ann +118 -0
- sabdab_dataset/1i9i/annotation/1i9i_L_VL.ann +114 -0
- sabdab_dataset/1i9i/imgt/1i9i_H_H.ann +4 -0
- sabdab_dataset/1i9i/imgt/1i9i_L_L.ann +4 -0
- sabdab_dataset/1i9i/sequence/1i9i_H_VH.fa +6 -0
- sabdab_dataset/1i9i/sequence/1i9i_L_VL.fa +6 -0
- sabdab_dataset/1i9i/sequence/1i9i_raw.pdb +4 -0
- sabdab_dataset/1i9i/structure/1i9i.pdb +0 -0
- sabdab_dataset/1i9i/structure/chothia/1i9i.pdb +0 -0
- sabdab_dataset/1nby/abangle/1nby.abangle +2 -0
- sabdab_dataset/1nby/annotation/1nby_A_VL.ann +109 -0
- sabdab_dataset/1nby/annotation/1nby_B_VH.ann +113 -0
- sabdab_dataset/1nby/imgt/1nby_A_L.ann +4 -0
- sabdab_dataset/1nby/imgt/1nby_B_H.ann +4 -0
- sabdab_dataset/1nby/sequence/1nby_A_VL.fa +6 -0
- sabdab_dataset/1nby/sequence/1nby_B_VH.fa +6 -0
- sabdab_dataset/1nby/sequence/1nby_raw.pdb +6 -0
- sabdab_dataset/1nby/structure/1nby.pdb +0 -0
- sabdab_dataset/1nby/structure/chothia/1nby.pdb +0 -0
- sabdab_dataset/1sjx/annotation/1sjx_A_VH.ann +119 -0
- sabdab_dataset/1sjx/imgt/1sjx_A_H.ann +3 -0
- sabdab_dataset/1sjx/sequence/1sjx_A_VH.fa +6 -0
- sabdab_dataset/1sjx/sequence/1sjx_raw.pdb +2 -0
- sabdab_dataset/1sjx/structure/1sjx.pdb +0 -0
- sabdab_dataset/1sjx/structure/chothia/1sjx.pdb +1006 -0
- sabdab_dataset/1ynl/abangle/1ynl.abangle +2 -0
- sabdab_dataset/1ynl/annotation/1ynl_H_VH.ann +116 -0
sabdab_dataset/1bbj/abangle/1bbj.abangle
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pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
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1bbj H L 0 -54.36 71.23 114.27 120.11 82.20 16.26
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1bbj B A 0 -54.36 71.23 114.27 120.11 82.21 16.26
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sabdab_dataset/1bbj/annotation/1bbj_A_VL.ann
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sabdab_dataset/1bbj/annotation/1bbj_B_VH.ann
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sabdab_dataset/1bbj/annotation/1bbj_H_VH.ann
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
H1 E
|
| 2 |
+
H2 V
|
| 3 |
+
H3 Q
|
| 4 |
+
H4 L
|
| 5 |
+
H5 Q
|
| 6 |
+
H6 Q
|
| 7 |
+
H7 S
|
| 8 |
+
H8 D
|
| 9 |
+
H9 A
|
| 10 |
+
H10 E
|
| 11 |
+
H11 L
|
| 12 |
+
H12 V
|
| 13 |
+
H13 K
|
| 14 |
+
H14 P
|
| 15 |
+
H15 G
|
| 16 |
+
H16 A
|
| 17 |
+
H17 S
|
| 18 |
+
H18 V
|
| 19 |
+
H19 K
|
| 20 |
+
H20 I
|
| 21 |
+
H21 S
|
| 22 |
+
H22 C
|
| 23 |
+
H23 K
|
| 24 |
+
H24 A
|
| 25 |
+
H25 S
|
| 26 |
+
H26 G
|
| 27 |
+
H27 Y
|
| 28 |
+
H28 T
|
| 29 |
+
H29 F
|
| 30 |
+
H30 T
|
| 31 |
+
H31 D
|
| 32 |
+
H32 H
|
| 33 |
+
H33 A
|
| 34 |
+
H34 I
|
| 35 |
+
H35 H
|
| 36 |
+
H36 W
|
| 37 |
+
H37 A
|
| 38 |
+
H38 K
|
| 39 |
+
H39 Q
|
| 40 |
+
H40 K
|
| 41 |
+
H41 P
|
| 42 |
+
H42 E
|
| 43 |
+
H43 Q
|
| 44 |
+
H44 G
|
| 45 |
+
H45 L
|
| 46 |
+
H46 E
|
| 47 |
+
H47 W
|
| 48 |
+
H48 I
|
| 49 |
+
H49 G
|
| 50 |
+
H50 Y
|
| 51 |
+
H51 I
|
| 52 |
+
H52 S
|
| 53 |
+
H52A P
|
| 54 |
+
H53 G
|
| 55 |
+
H54 N
|
| 56 |
+
H55 D
|
| 57 |
+
H56 D
|
| 58 |
+
H57 I
|
| 59 |
+
H58 K
|
| 60 |
+
H59 Y
|
| 61 |
+
H60 N
|
| 62 |
+
H61 E
|
| 63 |
+
H62 K
|
| 64 |
+
H63 F
|
| 65 |
+
H64 K
|
| 66 |
+
H65 G
|
| 67 |
+
H66 K
|
| 68 |
+
H67 A
|
| 69 |
+
H68 T
|
| 70 |
+
H69 L
|
| 71 |
+
H70 T
|
| 72 |
+
H71 A
|
| 73 |
+
H72 D
|
| 74 |
+
H73 K
|
| 75 |
+
H74 S
|
| 76 |
+
H75 S
|
| 77 |
+
H76 S
|
| 78 |
+
H77 T
|
| 79 |
+
H78 A
|
| 80 |
+
H79 Y
|
| 81 |
+
H80 M
|
| 82 |
+
H81 Q
|
| 83 |
+
H82 L
|
| 84 |
+
H82A N
|
| 85 |
+
H82B S
|
| 86 |
+
H82C L
|
| 87 |
+
H83 T
|
| 88 |
+
H84 S
|
| 89 |
+
H85 E
|
| 90 |
+
H86 D
|
| 91 |
+
H87 S
|
| 92 |
+
H88 A
|
| 93 |
+
H89 V
|
| 94 |
+
H90 Y
|
| 95 |
+
H91 F
|
| 96 |
+
H92 C
|
| 97 |
+
H93 K
|
| 98 |
+
H94 R
|
| 99 |
+
H95 S
|
| 100 |
+
H96 Y
|
| 101 |
+
H97 Y
|
| 102 |
+
H101 G
|
| 103 |
+
H102 H
|
| 104 |
+
H103 W
|
| 105 |
+
H104 G
|
| 106 |
+
H105 Q
|
| 107 |
+
H106 G
|
| 108 |
+
H107 T
|
| 109 |
+
H108 T
|
| 110 |
+
H109 L
|
| 111 |
+
H110 T
|
| 112 |
+
H111 V
|
| 113 |
+
H112 S
|
| 114 |
+
H113 S
|
sabdab_dataset/1bbj/annotation/1bbj_L_VL.ann
ADDED
|
@@ -0,0 +1,109 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
L1 D
|
| 2 |
+
L2 I
|
| 3 |
+
L3 Q
|
| 4 |
+
L4 M
|
| 5 |
+
L5 T
|
| 6 |
+
L6 Q
|
| 7 |
+
L7 S
|
| 8 |
+
L8 P
|
| 9 |
+
L9 A
|
| 10 |
+
L10 S
|
| 11 |
+
L11 L
|
| 12 |
+
L12 S
|
| 13 |
+
L13 V
|
| 14 |
+
L14 S
|
| 15 |
+
L15 V
|
| 16 |
+
L16 G
|
| 17 |
+
L17 E
|
| 18 |
+
L18 T
|
| 19 |
+
L19 V
|
| 20 |
+
L20 T
|
| 21 |
+
L21 I
|
| 22 |
+
L22 T
|
| 23 |
+
L23 C
|
| 24 |
+
L24 R
|
| 25 |
+
L25 A
|
| 26 |
+
L26 S
|
| 27 |
+
L27 E
|
| 28 |
+
L28 N
|
| 29 |
+
L29 I
|
| 30 |
+
L30 Y
|
| 31 |
+
L31 S
|
| 32 |
+
L32 N
|
| 33 |
+
L33 L
|
| 34 |
+
L34 A
|
| 35 |
+
L35 W
|
| 36 |
+
L36 Y
|
| 37 |
+
L37 Q
|
| 38 |
+
L38 Q
|
| 39 |
+
L39 K
|
| 40 |
+
L40 Q
|
| 41 |
+
L41 G
|
| 42 |
+
L42 K
|
| 43 |
+
L43 S
|
| 44 |
+
L44 P
|
| 45 |
+
L45 Q
|
| 46 |
+
L46 L
|
| 47 |
+
L47 L
|
| 48 |
+
L48 V
|
| 49 |
+
L49 Y
|
| 50 |
+
L50 A
|
| 51 |
+
L51 A
|
| 52 |
+
L52 T
|
| 53 |
+
L53 N
|
| 54 |
+
L54 L
|
| 55 |
+
L55 A
|
| 56 |
+
L56 D
|
| 57 |
+
L57 G
|
| 58 |
+
L58 V
|
| 59 |
+
L59 P
|
| 60 |
+
L60 S
|
| 61 |
+
L61 R
|
| 62 |
+
L62 F
|
| 63 |
+
L63 S
|
| 64 |
+
L64 G
|
| 65 |
+
L65 S
|
| 66 |
+
L66 G
|
| 67 |
+
L67 S
|
| 68 |
+
L68 G
|
| 69 |
+
L69 T
|
| 70 |
+
L70 Q
|
| 71 |
+
L71 Y
|
| 72 |
+
L72 S
|
| 73 |
+
L73 L
|
| 74 |
+
L74 K
|
| 75 |
+
L75 I
|
| 76 |
+
L76 N
|
| 77 |
+
L77 S
|
| 78 |
+
L78 L
|
| 79 |
+
L79 Q
|
| 80 |
+
L80 S
|
| 81 |
+
L81 E
|
| 82 |
+
L82 D
|
| 83 |
+
L83 F
|
| 84 |
+
L84 G
|
| 85 |
+
L85 S
|
| 86 |
+
L86 Y
|
| 87 |
+
L87 Y
|
| 88 |
+
L88 C
|
| 89 |
+
L89 Q
|
| 90 |
+
L90 H
|
| 91 |
+
L91 F
|
| 92 |
+
L92 W
|
| 93 |
+
L93 G
|
| 94 |
+
L94 T
|
| 95 |
+
L95 P
|
| 96 |
+
L96 Y
|
| 97 |
+
L97 T
|
| 98 |
+
L98 F
|
| 99 |
+
L99 G
|
| 100 |
+
L100 G
|
| 101 |
+
L101 G
|
| 102 |
+
L102 T
|
| 103 |
+
L103 R
|
| 104 |
+
L104 L
|
| 105 |
+
L105 E
|
| 106 |
+
L106 I
|
| 107 |
+
L107 K
|
| 108 |
+
L108 R
|
| 109 |
+
L109 A
|
sabdab_dataset/1bbj/sequence/1bbj_A_VL.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1bbj_A|seqres|full
|
| 2 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
|
| 3 |
+
>1bbj_A|seqres|region: L
|
| 4 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRA------------------------------------------------------------------------------------------------------
|
| 5 |
+
>1bbj_A|structure|full
|
| 6 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
|
sabdab_dataset/1bbj/sequence/1bbj_B_VH.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1bbj_B|seqres|full
|
| 2 |
+
EVQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRV
|
| 3 |
+
>1bbj_B|seqres|region: H
|
| 4 |
+
EVQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSS--------------------------------------------------------------------------------------------------
|
| 5 |
+
>1bbj_B|structure|full
|
| 6 |
+
-VQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRV
|
sabdab_dataset/1bbj/sequence/1bbj_H_VH.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1bbj_H|seqres|full
|
| 2 |
+
EVQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRV
|
| 3 |
+
>1bbj_H|seqres|region: H
|
| 4 |
+
EVQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSS--------------------------------------------------------------------------------------------------
|
| 5 |
+
>1bbj_H|structure|full
|
| 6 |
+
-VQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRV
|
sabdab_dataset/1bbj/sequence/1bbj_L_VL.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1bbj_L|seqres|full
|
| 2 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
|
| 3 |
+
>1bbj_L|seqres|region: L
|
| 4 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRA------------------------------------------------------------------------------------------------------
|
| 5 |
+
>1bbj_L|structure|full
|
| 6 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
|
sabdab_dataset/1bbj/sequence/1bbj_raw.pdb
ADDED
|
@@ -0,0 +1,8 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1bbj_A|type: L
|
| 2 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
|
| 3 |
+
>1bbj_H|type: H
|
| 4 |
+
EVQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRV
|
| 5 |
+
>1bbj_B|type: H
|
| 6 |
+
EVQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRV
|
| 7 |
+
>1bbj_L|type: L
|
| 8 |
+
DIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
|
sabdab_dataset/1bbj/structure/1bbj.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1bbj/structure/chothia/1bbj.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1dsf/abangle/1dsf.abangle
ADDED
|
@@ -0,0 +1,2 @@
|
|
|
|
|
|
|
|
|
|
| 1 |
+
pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
|
| 2 |
+
1dsf H L 0 -68.66 74.37 119.78 119.17 79.13 15.80
|
sabdab_dataset/1dsf/annotation/1dsf_H_VH.ann
ADDED
|
@@ -0,0 +1,119 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
H3 Q
|
| 2 |
+
H4 L
|
| 3 |
+
H5 V
|
| 4 |
+
H6 E
|
| 5 |
+
H7 S
|
| 6 |
+
H8 G
|
| 7 |
+
H9 G
|
| 8 |
+
H10 G
|
| 9 |
+
H11 L
|
| 10 |
+
H12 V
|
| 11 |
+
H13 K
|
| 12 |
+
H14 P
|
| 13 |
+
H15 G
|
| 14 |
+
H16 G
|
| 15 |
+
H17 S
|
| 16 |
+
H18 L
|
| 17 |
+
H19 K
|
| 18 |
+
H20 L
|
| 19 |
+
H21 S
|
| 20 |
+
H22 C
|
| 21 |
+
H23 A
|
| 22 |
+
H24 A
|
| 23 |
+
H25 S
|
| 24 |
+
H26 G
|
| 25 |
+
H27 F
|
| 26 |
+
H28 I
|
| 27 |
+
H29 F
|
| 28 |
+
H30 S
|
| 29 |
+
H31 D
|
| 30 |
+
H32 N
|
| 31 |
+
H33 Y
|
| 32 |
+
H34 M
|
| 33 |
+
H35 Y
|
| 34 |
+
H36 W
|
| 35 |
+
H37 V
|
| 36 |
+
H38 R
|
| 37 |
+
H39 Q
|
| 38 |
+
H40 T
|
| 39 |
+
H41 P
|
| 40 |
+
H42 E
|
| 41 |
+
H43 K
|
| 42 |
+
H44 C
|
| 43 |
+
H45 L
|
| 44 |
+
H46 E
|
| 45 |
+
H47 W
|
| 46 |
+
H48 V
|
| 47 |
+
H49 A
|
| 48 |
+
H50 T
|
| 49 |
+
H51 I
|
| 50 |
+
H52 S
|
| 51 |
+
H52A D
|
| 52 |
+
H53 G
|
| 53 |
+
H54 G
|
| 54 |
+
H55 T
|
| 55 |
+
H56 Y
|
| 56 |
+
H57 I
|
| 57 |
+
H58 D
|
| 58 |
+
H59 Y
|
| 59 |
+
H60 S
|
| 60 |
+
H61 D
|
| 61 |
+
H62 S
|
| 62 |
+
H63 V
|
| 63 |
+
H64 K
|
| 64 |
+
H65 G
|
| 65 |
+
H66 R
|
| 66 |
+
H67 F
|
| 67 |
+
H68 T
|
| 68 |
+
H69 I
|
| 69 |
+
H70 S
|
| 70 |
+
H71 R
|
| 71 |
+
H72 D
|
| 72 |
+
H73 N
|
| 73 |
+
H74 A
|
| 74 |
+
H75 K
|
| 75 |
+
H76 N
|
| 76 |
+
H77 N
|
| 77 |
+
H78 L
|
| 78 |
+
H79 Y
|
| 79 |
+
H80 L
|
| 80 |
+
H81 Q
|
| 81 |
+
H82 M
|
| 82 |
+
H82A S
|
| 83 |
+
H82B S
|
| 84 |
+
H82C L
|
| 85 |
+
H83 R
|
| 86 |
+
H84 S
|
| 87 |
+
H85 E
|
| 88 |
+
H86 D
|
| 89 |
+
H87 T
|
| 90 |
+
H88 G
|
| 91 |
+
H89 M
|
| 92 |
+
H90 Y
|
| 93 |
+
H91 Y
|
| 94 |
+
H92 C
|
| 95 |
+
H93 G
|
| 96 |
+
H94 R
|
| 97 |
+
H95 S
|
| 98 |
+
H96 P
|
| 99 |
+
H97 I
|
| 100 |
+
H98 Y
|
| 101 |
+
H99 Y
|
| 102 |
+
H100 D
|
| 103 |
+
H100A Y
|
| 104 |
+
H100B A
|
| 105 |
+
H100C P
|
| 106 |
+
H100D F
|
| 107 |
+
H101 T
|
| 108 |
+
H102 Y
|
| 109 |
+
H103 W
|
| 110 |
+
H104 G
|
| 111 |
+
H105 Q
|
| 112 |
+
H106 G
|
| 113 |
+
H107 T
|
| 114 |
+
H108 L
|
| 115 |
+
H109 V
|
| 116 |
+
H110 T
|
| 117 |
+
H111 V
|
| 118 |
+
H112 S
|
| 119 |
+
H113 A
|
sabdab_dataset/1dsf/annotation/1dsf_L_VL.ann
ADDED
|
@@ -0,0 +1,112 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
L1 D
|
| 2 |
+
L2 V
|
| 3 |
+
L3 V
|
| 4 |
+
L4 M
|
| 5 |
+
L5 T
|
| 6 |
+
L6 Q
|
| 7 |
+
L7 T
|
| 8 |
+
L8 P
|
| 9 |
+
L9 L
|
| 10 |
+
L10 S
|
| 11 |
+
L11 L
|
| 12 |
+
L12 P
|
| 13 |
+
L13 V
|
| 14 |
+
L14 S
|
| 15 |
+
L15 L
|
| 16 |
+
L16 G
|
| 17 |
+
L17 D
|
| 18 |
+
L18 Q
|
| 19 |
+
L19 A
|
| 20 |
+
L20 S
|
| 21 |
+
L21 I
|
| 22 |
+
L22 S
|
| 23 |
+
L23 C
|
| 24 |
+
L24 R
|
| 25 |
+
L25 S
|
| 26 |
+
L26 S
|
| 27 |
+
L27 Q
|
| 28 |
+
L28 N
|
| 29 |
+
L29 L
|
| 30 |
+
L30 V
|
| 31 |
+
L30A H
|
| 32 |
+
L30B S
|
| 33 |
+
L30C D
|
| 34 |
+
L30D G
|
| 35 |
+
L30E K
|
| 36 |
+
L31 T
|
| 37 |
+
L32 Y
|
| 38 |
+
L33 L
|
| 39 |
+
L34 H
|
| 40 |
+
L35 W
|
| 41 |
+
L36 F
|
| 42 |
+
L37 L
|
| 43 |
+
L38 Q
|
| 44 |
+
L39 K
|
| 45 |
+
L40 P
|
| 46 |
+
L41 G
|
| 47 |
+
L42 Q
|
| 48 |
+
L43 S
|
| 49 |
+
L44 P
|
| 50 |
+
L45 T
|
| 51 |
+
L46 L
|
| 52 |
+
L47 L
|
| 53 |
+
L48 I
|
| 54 |
+
L49 Y
|
| 55 |
+
L50 K
|
| 56 |
+
L51 V
|
| 57 |
+
L52 S
|
| 58 |
+
L53 N
|
| 59 |
+
L54 R
|
| 60 |
+
L55 F
|
| 61 |
+
L56 S
|
| 62 |
+
L57 G
|
| 63 |
+
L58 V
|
| 64 |
+
L59 P
|
| 65 |
+
L60 D
|
| 66 |
+
L61 R
|
| 67 |
+
L62 F
|
| 68 |
+
L63 S
|
| 69 |
+
L64 G
|
| 70 |
+
L65 S
|
| 71 |
+
L66 G
|
| 72 |
+
L67 S
|
| 73 |
+
L68 G
|
| 74 |
+
L69 T
|
| 75 |
+
L70 D
|
| 76 |
+
L71 F
|
| 77 |
+
L72 I
|
| 78 |
+
L73 L
|
| 79 |
+
L74 K
|
| 80 |
+
L75 I
|
| 81 |
+
L76 S
|
| 82 |
+
L77 R
|
| 83 |
+
L78 V
|
| 84 |
+
L79 E
|
| 85 |
+
L80 A
|
| 86 |
+
L81 E
|
| 87 |
+
L82 D
|
| 88 |
+
L83 L
|
| 89 |
+
L84 G
|
| 90 |
+
L85 V
|
| 91 |
+
L86 Y
|
| 92 |
+
L87 F
|
| 93 |
+
L88 C
|
| 94 |
+
L89 S
|
| 95 |
+
L90 Q
|
| 96 |
+
L91 S
|
| 97 |
+
L92 T
|
| 98 |
+
L93 H
|
| 99 |
+
L94 V
|
| 100 |
+
L95 P
|
| 101 |
+
L96 L
|
| 102 |
+
L97 T
|
| 103 |
+
L98 F
|
| 104 |
+
L99 G
|
| 105 |
+
L100 C
|
| 106 |
+
L101 G
|
| 107 |
+
L102 T
|
| 108 |
+
L103 K
|
| 109 |
+
L104 L
|
| 110 |
+
L105 E
|
| 111 |
+
L106 L
|
| 112 |
+
L107 K
|
sabdab_dataset/1dsf/imgt/1dsf_H_H.ann
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
|
| 2 |
+
J Mus_musculus IGHJ3*01 IG IGHJ IGHJ3 IGHJ3 NA True
|
| 3 |
+
V Mus_musculus IGHV5-4*02 IG IGHV IGHV5 IGHV5-4 NA True
|
sabdab_dataset/1dsf/imgt/1dsf_L_L.ann
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
|
| 2 |
+
J Mus_musculus IGKJ5*01 IG IGKJ IGKJ5 IGKJ5 NA True
|
| 3 |
+
V Mus_musculus IGKV1-110*01 IG IGKV IGKV1 IGKV1-110 NA True
|
sabdab_dataset/1dsf/sequence/1dsf_H_VH.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1dsf_H|seqres|full
|
| 2 |
+
QLVESGGGLVKPGGSLKLSCAASGFIFSDNYMYWVRQTPEKCLEWVATISDGGTYIDYSDSVKGRFTISRDNAKNNLYLQMSSLRSEDTGMYYCGRSPIYYDYAPFTYWGQGTLVTVSA
|
| 3 |
+
>1dsf_H|seqres|region: H
|
| 4 |
+
QLVESGGGLVKPGGSLKLSCAASGFIFSDNYMYWVRQTPEKCLEWVATISDGGTYIDYSDSVKGRFTISRDNAKNNLYLQMSSLRSEDTGMYYCGRSPIYYDYAPFTYWGQGTLVTVSA
|
| 5 |
+
>1dsf_H|structure|full
|
| 6 |
+
QLVESGGGLVKPGGSLKLSCAASGFIFSDNYMYWVRQTPEKCLEWVATISDGGTYIDYSDSVKGRFTISRDNAKNNLYLQMSSLRSEDTGMYYCGRSPIYYDYAPFTYWGQGTLVTVSA
|
sabdab_dataset/1dsf/sequence/1dsf_L_VL.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1dsf_L|seqres|full
|
| 2 |
+
DVVMTQTPLSLPVSLGDQASISCRSSQNLVHSDGKTYLHWFLQKPGQSPTLLIYKVSNRFSGVPDRFSGSGSGTDFILKISRVEAEDLGVYFCSQSTHVPLTFGCGTKLELK
|
| 3 |
+
>1dsf_L|seqres|region: L
|
| 4 |
+
DVVMTQTPLSLPVSLGDQASISCRSSQNLVHSDGKTYLHWFLQKPGQSPTLLIYKVSNRFSGVPDRFSGSGSGTDFILKISRVEAEDLGVYFCSQSTHVPLTFGCGTKLELK
|
| 5 |
+
>1dsf_L|structure|full
|
| 6 |
+
DVVMTQTPLSLPVSLGDQASISCRSSQNLVHSDGKTYLHWFLQKPGQSPTLLIYKVSNRFSGVPDRFSGSGSGTDFILKISRVEAEDLGVYFCSQSTHVPLTFGCGTKLELK
|
sabdab_dataset/1dsf/sequence/1dsf_raw.pdb
ADDED
|
@@ -0,0 +1,4 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1dsf_H|type: H
|
| 2 |
+
QLVESGGGLVKPGGSLKLSCAASGFIFSDNYMYWVRQTPEKCLEWVATISDGGTYIDYSDSVKGRFTISRDNAKNNLYLQMSSLRSEDTGMYYCGRSPIYYDYAPFTYWGQGTLVTVSA
|
| 3 |
+
>1dsf_L|type: L
|
| 4 |
+
DVVMTQTPLSLPVSLGDQASISCRSSQNLVHSDGKTYLHWFLQKPGQSPTLLIYKVSNRFSGVPDRFSGSGSGTDFILKISRVEAEDLGVYFCSQSTHVPLTFGCGTKLELK
|
sabdab_dataset/1dsf/structure/1dsf.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1dsf/structure/chothia/1dsf.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1i9i/abangle/1i9i.abangle
ADDED
|
@@ -0,0 +1,2 @@
|
|
|
|
|
|
|
|
|
|
| 1 |
+
pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
|
| 2 |
+
1i9i H L 0 -61.97 71.75 120.05 118.83 84.31 16.16
|
sabdab_dataset/1i9i/annotation/1i9i_H_VH.ann
ADDED
|
@@ -0,0 +1,118 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
H1 E
|
| 2 |
+
H2 V
|
| 3 |
+
H3 K
|
| 4 |
+
H4 L
|
| 5 |
+
H5 V
|
| 6 |
+
H6 E
|
| 7 |
+
H7 S
|
| 8 |
+
H8 G
|
| 9 |
+
H9 G
|
| 10 |
+
H10 G
|
| 11 |
+
H11 L
|
| 12 |
+
H12 V
|
| 13 |
+
H13 K
|
| 14 |
+
H14 P
|
| 15 |
+
H15 G
|
| 16 |
+
H16 G
|
| 17 |
+
H17 S
|
| 18 |
+
H18 L
|
| 19 |
+
H19 K
|
| 20 |
+
H20 L
|
| 21 |
+
H21 S
|
| 22 |
+
H22 C
|
| 23 |
+
H23 A
|
| 24 |
+
H24 A
|
| 25 |
+
H25 S
|
| 26 |
+
H26 G
|
| 27 |
+
H27 F
|
| 28 |
+
H28 T
|
| 29 |
+
H29 F
|
| 30 |
+
H30 S
|
| 31 |
+
H31 T
|
| 32 |
+
H32 Y
|
| 33 |
+
H33 A
|
| 34 |
+
H34 L
|
| 35 |
+
H35 S
|
| 36 |
+
H36 W
|
| 37 |
+
H37 V
|
| 38 |
+
H38 R
|
| 39 |
+
H39 Q
|
| 40 |
+
H40 T
|
| 41 |
+
H41 A
|
| 42 |
+
H42 D
|
| 43 |
+
H43 K
|
| 44 |
+
H44 R
|
| 45 |
+
H45 L
|
| 46 |
+
H46 E
|
| 47 |
+
H47 W
|
| 48 |
+
H48 V
|
| 49 |
+
H49 A
|
| 50 |
+
H50 S
|
| 51 |
+
H51 I
|
| 52 |
+
H52 V
|
| 53 |
+
H53 S
|
| 54 |
+
H54 G
|
| 55 |
+
H55 G
|
| 56 |
+
H56 N
|
| 57 |
+
H57 T
|
| 58 |
+
H58 Y
|
| 59 |
+
H59 Y
|
| 60 |
+
H60 S
|
| 61 |
+
H61 G
|
| 62 |
+
H62 S
|
| 63 |
+
H63 V
|
| 64 |
+
H64 K
|
| 65 |
+
H65 G
|
| 66 |
+
H66 R
|
| 67 |
+
H67 F
|
| 68 |
+
H68 T
|
| 69 |
+
H69 I
|
| 70 |
+
H70 S
|
| 71 |
+
H71 R
|
| 72 |
+
H72 D
|
| 73 |
+
H73 I
|
| 74 |
+
H74 A
|
| 75 |
+
H75 R
|
| 76 |
+
H76 N
|
| 77 |
+
H77 I
|
| 78 |
+
H78 L
|
| 79 |
+
H79 Y
|
| 80 |
+
H80 L
|
| 81 |
+
H81 Q
|
| 82 |
+
H82 M
|
| 83 |
+
H82A S
|
| 84 |
+
H82B S
|
| 85 |
+
H82C L
|
| 86 |
+
H83 R
|
| 87 |
+
H84 S
|
| 88 |
+
H85 E
|
| 89 |
+
H86 D
|
| 90 |
+
H87 T
|
| 91 |
+
H88 A
|
| 92 |
+
H89 M
|
| 93 |
+
H90 Y
|
| 94 |
+
H91 Y
|
| 95 |
+
H92 C
|
| 96 |
+
H93 A
|
| 97 |
+
H94 R
|
| 98 |
+
H95 E
|
| 99 |
+
H96 Y
|
| 100 |
+
H97 Y
|
| 101 |
+
H98 G
|
| 102 |
+
H99 Y
|
| 103 |
+
H100 V
|
| 104 |
+
H100A G
|
| 105 |
+
H100B L
|
| 106 |
+
H101 A
|
| 107 |
+
H102 Y
|
| 108 |
+
H103 W
|
| 109 |
+
H104 G
|
| 110 |
+
H105 Q
|
| 111 |
+
H106 G
|
| 112 |
+
H107 T
|
| 113 |
+
H108 L
|
| 114 |
+
H109 V
|
| 115 |
+
H110 T
|
| 116 |
+
H111 V
|
| 117 |
+
H112 S
|
| 118 |
+
H113 A
|
sabdab_dataset/1i9i/annotation/1i9i_L_VL.ann
ADDED
|
@@ -0,0 +1,114 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
L1 D
|
| 2 |
+
L2 V
|
| 3 |
+
L3 V
|
| 4 |
+
L4 V
|
| 5 |
+
L5 T
|
| 6 |
+
L6 Q
|
| 7 |
+
L7 T
|
| 8 |
+
L8 P
|
| 9 |
+
L9 L
|
| 10 |
+
L10 S
|
| 11 |
+
L11 L
|
| 12 |
+
L12 P
|
| 13 |
+
L13 V
|
| 14 |
+
L14 S
|
| 15 |
+
L15 L
|
| 16 |
+
L16 G
|
| 17 |
+
L17 D
|
| 18 |
+
L18 Q
|
| 19 |
+
L19 A
|
| 20 |
+
L20 S
|
| 21 |
+
L21 I
|
| 22 |
+
L22 S
|
| 23 |
+
L23 C
|
| 24 |
+
L24 R
|
| 25 |
+
L25 S
|
| 26 |
+
L26 S
|
| 27 |
+
L27 Q
|
| 28 |
+
L28 S
|
| 29 |
+
L29 I
|
| 30 |
+
L30 V
|
| 31 |
+
L30A H
|
| 32 |
+
L30B S
|
| 33 |
+
L30C N
|
| 34 |
+
L30D G
|
| 35 |
+
L30E N
|
| 36 |
+
L31 S
|
| 37 |
+
L32 Y
|
| 38 |
+
L33 L
|
| 39 |
+
L34 E
|
| 40 |
+
L35 W
|
| 41 |
+
L36 Y
|
| 42 |
+
L37 L
|
| 43 |
+
L38 Q
|
| 44 |
+
L39 K
|
| 45 |
+
L40 P
|
| 46 |
+
L41 G
|
| 47 |
+
L42 Q
|
| 48 |
+
L43 S
|
| 49 |
+
L44 P
|
| 50 |
+
L45 K
|
| 51 |
+
L46 L
|
| 52 |
+
L47 L
|
| 53 |
+
L48 I
|
| 54 |
+
L49 Y
|
| 55 |
+
L50 K
|
| 56 |
+
L51 V
|
| 57 |
+
L52 S
|
| 58 |
+
L53 N
|
| 59 |
+
L54 R
|
| 60 |
+
L55 F
|
| 61 |
+
L56 S
|
| 62 |
+
L57 G
|
| 63 |
+
L58 V
|
| 64 |
+
L59 P
|
| 65 |
+
L60 D
|
| 66 |
+
L61 R
|
| 67 |
+
L62 F
|
| 68 |
+
L63 S
|
| 69 |
+
L64 G
|
| 70 |
+
L65 S
|
| 71 |
+
L66 G
|
| 72 |
+
L67 S
|
| 73 |
+
L68 G
|
| 74 |
+
L69 T
|
| 75 |
+
L70 D
|
| 76 |
+
L71 F
|
| 77 |
+
L72 T
|
| 78 |
+
L73 L
|
| 79 |
+
L74 K
|
| 80 |
+
L75 I
|
| 81 |
+
L76 S
|
| 82 |
+
L77 R
|
| 83 |
+
L78 V
|
| 84 |
+
L79 E
|
| 85 |
+
L80 A
|
| 86 |
+
L81 E
|
| 87 |
+
L82 D
|
| 88 |
+
L83 L
|
| 89 |
+
L84 G
|
| 90 |
+
L85 V
|
| 91 |
+
L86 Y
|
| 92 |
+
L87 Y
|
| 93 |
+
L88 C
|
| 94 |
+
L89 F
|
| 95 |
+
L90 Q
|
| 96 |
+
L91 G
|
| 97 |
+
L92 S
|
| 98 |
+
L93 H
|
| 99 |
+
L94 V
|
| 100 |
+
L95 P
|
| 101 |
+
L96 P
|
| 102 |
+
L97 T
|
| 103 |
+
L98 F
|
| 104 |
+
L99 G
|
| 105 |
+
L100 G
|
| 106 |
+
L101 G
|
| 107 |
+
L102 T
|
| 108 |
+
L103 K
|
| 109 |
+
L104 L
|
| 110 |
+
L105 E
|
| 111 |
+
L106 I
|
| 112 |
+
L107 K
|
| 113 |
+
L108 R
|
| 114 |
+
L109 A
|
sabdab_dataset/1i9i/imgt/1i9i_H_H.ann
ADDED
|
@@ -0,0 +1,4 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
|
| 2 |
+
C Mus_musculus IGHG1*02 IG IGHC IGHG1 IGHG1 IGg True
|
| 3 |
+
J Mus_musculus IGHJ3*01 IG IGHJ IGHJ3 IGHJ3 NA True
|
| 4 |
+
V Mus_musculus IGHV5-6*03 IG IGHV IGHV5 IGHV5-6 NA True
|
sabdab_dataset/1i9i/imgt/1i9i_L_L.ann
ADDED
|
@@ -0,0 +1,4 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
|
| 2 |
+
C Mus_musculus IGKC*01 IG IGKC IGKC IGKC NA True
|
| 3 |
+
J Mus_musculus IGKJ1*02 IG IGKJ IGKJ1 IGKJ1 NA True
|
| 4 |
+
V Mus_musculus IGKV1-117*01 IG IGKV IGKV1 IGKV1-117 NA True
|
sabdab_dataset/1i9i/sequence/1i9i_H_VH.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1i9i_H|seqres|full
|
| 2 |
+
EVKLVESGGGLVKPGGSLKLSCAASGFTFSTYALSWVRQTADKRLEWVASIVSGGNTYYSGSVKGRFTISRDIARNILYLQMSSLRSEDTAMYYCAREYYGYVGLAYWGQGTLVTVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC
|
| 3 |
+
>1i9i_H|seqres|region: H
|
| 4 |
+
EVKLVESGGGLVKPGGSLKLSCAASGFTFSTYALSWVRQTADKRLEWVASIVSGGNTYYSGSVKGRFTISRDIARNILYLQMSSLRSEDTAMYYCAREYYGYVGLAYWGQGTLVTVSA------------------------------------------------------------------------------------------------------
|
| 5 |
+
>1i9i_H|structure|full
|
| 6 |
+
EVKLVESGGGLVKPGGSLKLSCAASGFTFSTYALSWVRQTADKRLEWVASIVSGGNTYYSGSVKGRFTISRDIARNILYLQMSSLRSEDTAMYYCAREYYGYVGLAYWGQGTLVTVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC
|
sabdab_dataset/1i9i/sequence/1i9i_L_VL.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1i9i_L|seqres|full
|
| 2 |
+
DVVVTQTPLSLPVSLGDQASISCRSSQSIVHSNGNSYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPPTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
|
| 3 |
+
>1i9i_L|seqres|region: L
|
| 4 |
+
DVVVTQTPLSLPVSLGDQASISCRSSQSIVHSNGNSYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPPTFGGGTKLEIKRA---------------------------------------------------------------------------------------------------------
|
| 5 |
+
>1i9i_L|structure|full
|
| 6 |
+
DVVVTQTPLSLPVSLGDQASISCRSSQSIVHSNGNSYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPPTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
|
sabdab_dataset/1i9i/sequence/1i9i_raw.pdb
ADDED
|
@@ -0,0 +1,4 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1i9i_H|type: H
|
| 2 |
+
EVKLVESGGGLVKPGGSLKLSCAASGFTFSTYALSWVRQTADKRLEWVASIVSGGNTYYSGSVKGRFTISRDIARNILYLQMSSLRSEDTAMYYCAREYYGYVGLAYWGQGTLVTVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC
|
| 3 |
+
>1i9i_L|type: L
|
| 4 |
+
DVVVTQTPLSLPVSLGDQASISCRSSQSIVHSNGNSYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPPTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
|
sabdab_dataset/1i9i/structure/1i9i.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1i9i/structure/chothia/1i9i.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1nby/abangle/1nby.abangle
ADDED
|
@@ -0,0 +1,2 @@
|
|
|
|
|
|
|
|
|
|
| 1 |
+
pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
|
| 2 |
+
1nby B A 0 -62.56 71.87 118.88 120.69 82.30 16.19
|
sabdab_dataset/1nby/annotation/1nby_A_VL.ann
ADDED
|
@@ -0,0 +1,109 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
L1 D
|
| 2 |
+
L2 I
|
| 3 |
+
L3 V
|
| 4 |
+
L4 L
|
| 5 |
+
L5 T
|
| 6 |
+
L6 Q
|
| 7 |
+
L7 S
|
| 8 |
+
L8 P
|
| 9 |
+
L9 A
|
| 10 |
+
L10 T
|
| 11 |
+
L11 L
|
| 12 |
+
L12 S
|
| 13 |
+
L13 V
|
| 14 |
+
L14 T
|
| 15 |
+
L15 P
|
| 16 |
+
L16 G
|
| 17 |
+
L17 D
|
| 18 |
+
L18 S
|
| 19 |
+
L19 V
|
| 20 |
+
L20 S
|
| 21 |
+
L21 L
|
| 22 |
+
L22 S
|
| 23 |
+
L23 C
|
| 24 |
+
L24 R
|
| 25 |
+
L25 A
|
| 26 |
+
L26 S
|
| 27 |
+
L27 Q
|
| 28 |
+
L28 S
|
| 29 |
+
L29 I
|
| 30 |
+
L30 S
|
| 31 |
+
L31 N
|
| 32 |
+
L32 N
|
| 33 |
+
L33 L
|
| 34 |
+
L34 H
|
| 35 |
+
L35 W
|
| 36 |
+
L36 Y
|
| 37 |
+
L37 Q
|
| 38 |
+
L38 Q
|
| 39 |
+
L39 K
|
| 40 |
+
L40 S
|
| 41 |
+
L41 H
|
| 42 |
+
L42 E
|
| 43 |
+
L43 S
|
| 44 |
+
L44 P
|
| 45 |
+
L45 R
|
| 46 |
+
L46 L
|
| 47 |
+
L47 L
|
| 48 |
+
L48 I
|
| 49 |
+
L49 K
|
| 50 |
+
L50 Y
|
| 51 |
+
L51 A
|
| 52 |
+
L52 S
|
| 53 |
+
L53 Q
|
| 54 |
+
L54 S
|
| 55 |
+
L55 I
|
| 56 |
+
L56 S
|
| 57 |
+
L57 G
|
| 58 |
+
L58 I
|
| 59 |
+
L59 P
|
| 60 |
+
L60 S
|
| 61 |
+
L61 R
|
| 62 |
+
L62 F
|
| 63 |
+
L63 S
|
| 64 |
+
L64 G
|
| 65 |
+
L65 S
|
| 66 |
+
L66 G
|
| 67 |
+
L67 S
|
| 68 |
+
L68 G
|
| 69 |
+
L69 T
|
| 70 |
+
L70 D
|
| 71 |
+
L71 F
|
| 72 |
+
L72 T
|
| 73 |
+
L73 L
|
| 74 |
+
L74 S
|
| 75 |
+
L75 I
|
| 76 |
+
L76 N
|
| 77 |
+
L77 S
|
| 78 |
+
L78 V
|
| 79 |
+
L79 E
|
| 80 |
+
L80 T
|
| 81 |
+
L81 E
|
| 82 |
+
L82 D
|
| 83 |
+
L83 F
|
| 84 |
+
L84 G
|
| 85 |
+
L85 M
|
| 86 |
+
L86 Y
|
| 87 |
+
L87 F
|
| 88 |
+
L88 C
|
| 89 |
+
L89 Q
|
| 90 |
+
L90 Q
|
| 91 |
+
L91 S
|
| 92 |
+
L92 N
|
| 93 |
+
L93 S
|
| 94 |
+
L94 W
|
| 95 |
+
L95 P
|
| 96 |
+
L96 Y
|
| 97 |
+
L97 T
|
| 98 |
+
L98 F
|
| 99 |
+
L99 G
|
| 100 |
+
L100 G
|
| 101 |
+
L101 G
|
| 102 |
+
L102 T
|
| 103 |
+
L103 K
|
| 104 |
+
L104 L
|
| 105 |
+
L105 E
|
| 106 |
+
L106 I
|
| 107 |
+
L107 K
|
| 108 |
+
L108 R
|
| 109 |
+
L109 A
|
sabdab_dataset/1nby/annotation/1nby_B_VH.ann
ADDED
|
@@ -0,0 +1,113 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
H1 E
|
| 2 |
+
H2 V
|
| 3 |
+
H3 Q
|
| 4 |
+
H4 L
|
| 5 |
+
H5 Q
|
| 6 |
+
H6 E
|
| 7 |
+
H7 S
|
| 8 |
+
H8 G
|
| 9 |
+
H9 P
|
| 10 |
+
H10 S
|
| 11 |
+
H11 L
|
| 12 |
+
H12 V
|
| 13 |
+
H13 K
|
| 14 |
+
H14 P
|
| 15 |
+
H15 S
|
| 16 |
+
H16 Q
|
| 17 |
+
H17 T
|
| 18 |
+
H18 L
|
| 19 |
+
H19 S
|
| 20 |
+
H20 L
|
| 21 |
+
H21 T
|
| 22 |
+
H22 C
|
| 23 |
+
H23 S
|
| 24 |
+
H24 V
|
| 25 |
+
H25 T
|
| 26 |
+
H26 G
|
| 27 |
+
H27 D
|
| 28 |
+
H28 S
|
| 29 |
+
H29 V
|
| 30 |
+
H30 T
|
| 31 |
+
H31 S
|
| 32 |
+
H32 D
|
| 33 |
+
H33 Y
|
| 34 |
+
H34 W
|
| 35 |
+
H35 S
|
| 36 |
+
H36 W
|
| 37 |
+
H37 I
|
| 38 |
+
H38 R
|
| 39 |
+
H39 K
|
| 40 |
+
H40 F
|
| 41 |
+
H41 P
|
| 42 |
+
H42 G
|
| 43 |
+
H43 N
|
| 44 |
+
H44 K
|
| 45 |
+
H45 L
|
| 46 |
+
H46 E
|
| 47 |
+
H47 Y
|
| 48 |
+
H48 M
|
| 49 |
+
H49 G
|
| 50 |
+
H50 Y
|
| 51 |
+
H51 I
|
| 52 |
+
H52 S
|
| 53 |
+
H53 Y
|
| 54 |
+
H54 S
|
| 55 |
+
H55 G
|
| 56 |
+
H56 S
|
| 57 |
+
H57 T
|
| 58 |
+
H58 Y
|
| 59 |
+
H59 Y
|
| 60 |
+
H60 H
|
| 61 |
+
H61 P
|
| 62 |
+
H62 S
|
| 63 |
+
H63 L
|
| 64 |
+
H64 K
|
| 65 |
+
H65 S
|
| 66 |
+
H66 R
|
| 67 |
+
H67 I
|
| 68 |
+
H68 S
|
| 69 |
+
H69 I
|
| 70 |
+
H70 T
|
| 71 |
+
H71 R
|
| 72 |
+
H72 D
|
| 73 |
+
H73 T
|
| 74 |
+
H74 S
|
| 75 |
+
H75 K
|
| 76 |
+
H76 N
|
| 77 |
+
H77 Q
|
| 78 |
+
H78 Y
|
| 79 |
+
H79 Y
|
| 80 |
+
H80 L
|
| 81 |
+
H81 Q
|
| 82 |
+
H82 L
|
| 83 |
+
H82A N
|
| 84 |
+
H82B S
|
| 85 |
+
H82C V
|
| 86 |
+
H83 T
|
| 87 |
+
H84 T
|
| 88 |
+
H85 E
|
| 89 |
+
H86 D
|
| 90 |
+
H87 T
|
| 91 |
+
H88 A
|
| 92 |
+
H89 T
|
| 93 |
+
H90 Y
|
| 94 |
+
H91 Y
|
| 95 |
+
H92 C
|
| 96 |
+
H93 A
|
| 97 |
+
H94 S
|
| 98 |
+
H95 W
|
| 99 |
+
H96 G
|
| 100 |
+
H97 G
|
| 101 |
+
H101 D
|
| 102 |
+
H102 V
|
| 103 |
+
H103 W
|
| 104 |
+
H104 G
|
| 105 |
+
H105 A
|
| 106 |
+
H106 G
|
| 107 |
+
H107 T
|
| 108 |
+
H108 T
|
| 109 |
+
H109 V
|
| 110 |
+
H110 T
|
| 111 |
+
H111 V
|
| 112 |
+
H112 S
|
| 113 |
+
H113 S
|
sabdab_dataset/1nby/imgt/1nby_A_L.ann
ADDED
|
@@ -0,0 +1,4 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
|
| 2 |
+
C Mus_musculus IGKC*01 IG IGKC IGKC IGKC NA True
|
| 3 |
+
J Mus_musculus IGKJ2*01 IG IGKJ IGKJ2 IGKJ2 NA True
|
| 4 |
+
V Mus_musculus IGKV5-43*01 IG IGKV IGKV5 IGKV5-43 NA True
|
sabdab_dataset/1nby/imgt/1nby_B_H.ann
ADDED
|
@@ -0,0 +1,4 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
|
| 2 |
+
C Mus_musculus IGHG2A*01 IG IGHC IGHG2A IGHG2A IGg True
|
| 3 |
+
J Mus_musculus IGHJ1*01 IG IGHJ IGHJ1 IGHJ1 NA True
|
| 4 |
+
V Mus_musculus IGHV3S1*01 IG IGHV IGHV3 IGHV3S1 NA True
|
sabdab_dataset/1nby/sequence/1nby_A_VL.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1nby_A|seqres|full
|
| 2 |
+
DIVLTQSPATLSVTPGDSVSLSCRASQSISNNLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGMYFCQQSNSWPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
|
| 3 |
+
>1nby_A|seqres|region: L
|
| 4 |
+
DIVLTQSPATLSVTPGDSVSLSCRASQSISNNLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGMYFCQQSNSWPYTFGGGTKLEIKRA---------------------------------------------------------------------------------------------------------
|
| 5 |
+
>1nby_A|structure|full
|
| 6 |
+
DIVLTQSPATLSVTPGDSVSLSCRASQSISNNLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGMYFCQQSNSWPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
|
sabdab_dataset/1nby/sequence/1nby_B_VH.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1nby_B|seqres|full
|
| 2 |
+
EVQLQESGPSLVKPSQTLSLTCSVTGDSVTSDYWSWIRKFPGNKLEYMGYISYSGSTYYHPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCASWGGDVWGAGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKI
|
| 3 |
+
>1nby_B|seqres|region: H
|
| 4 |
+
EVQLQESGPSLVKPSQTLSLTCSVTGDSVTSDYWSWIRKFPGNKLEYMGYISYSGSTYYHPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCASWGGDVWGAGTTVTVSS-------------------------------------------------------------------------------------------------
|
| 5 |
+
>1nby_B|structure|full
|
| 6 |
+
EVQLQESGPSLVKPSQTLSLTCSVTGDSVTSDYWSWIRKFPGNKLEYMGYISYSGSTYYHPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCASWGGDVWGAGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKI
|
sabdab_dataset/1nby/sequence/1nby_raw.pdb
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1nby_A|type: L
|
| 2 |
+
DIVLTQSPATLSVTPGDSVSLSCRASQSISNNLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGMYFCQQSNSWPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
|
| 3 |
+
>1nby_C|type: non-ab
|
| 4 |
+
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAAKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
|
| 5 |
+
>1nby_B|type: H
|
| 6 |
+
EVQLQESGPSLVKPSQTLSLTCSVTGDSVTSDYWSWIRKFPGNKLEYMGYISYSGSTYYHPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCASWGGDVWGAGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKI
|
sabdab_dataset/1nby/structure/1nby.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1nby/structure/chothia/1nby.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1sjx/annotation/1sjx_A_VH.ann
ADDED
|
@@ -0,0 +1,119 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
H1 Q
|
| 2 |
+
H2 V
|
| 3 |
+
H3 Q
|
| 4 |
+
H4 L
|
| 5 |
+
H5 Q
|
| 6 |
+
H6 E
|
| 7 |
+
H7 S
|
| 8 |
+
H8 G
|
| 9 |
+
H9 G
|
| 10 |
+
H10 G
|
| 11 |
+
H11 L
|
| 12 |
+
H12 V
|
| 13 |
+
H13 Q
|
| 14 |
+
H14 A
|
| 15 |
+
H15 G
|
| 16 |
+
H16 G
|
| 17 |
+
H17 S
|
| 18 |
+
H18 L
|
| 19 |
+
H19 R
|
| 20 |
+
H20 L
|
| 21 |
+
H21 S
|
| 22 |
+
H22 C
|
| 23 |
+
H23 Q
|
| 24 |
+
H24 A
|
| 25 |
+
H25 S
|
| 26 |
+
H26 G
|
| 27 |
+
H27 N
|
| 28 |
+
H28 I
|
| 29 |
+
H29 F
|
| 30 |
+
H30 R
|
| 31 |
+
H31 I
|
| 32 |
+
H32 N
|
| 33 |
+
H33 D
|
| 34 |
+
H34 M
|
| 35 |
+
H35 G
|
| 36 |
+
H36 W
|
| 37 |
+
H37 Y
|
| 38 |
+
H38 R
|
| 39 |
+
H39 Q
|
| 40 |
+
H40 A
|
| 41 |
+
H41 P
|
| 42 |
+
H42 G
|
| 43 |
+
H43 T
|
| 44 |
+
H44 Q
|
| 45 |
+
H45 R
|
| 46 |
+
H46 E
|
| 47 |
+
H47 L
|
| 48 |
+
H48 V
|
| 49 |
+
H49 A
|
| 50 |
+
H50 A
|
| 51 |
+
H51 I
|
| 52 |
+
H52 T
|
| 53 |
+
H53 S
|
| 54 |
+
H54 G
|
| 55 |
+
H55 G
|
| 56 |
+
H56 S
|
| 57 |
+
H57 T
|
| 58 |
+
H58 K
|
| 59 |
+
H59 Y
|
| 60 |
+
H60 A
|
| 61 |
+
H61 D
|
| 62 |
+
H62 S
|
| 63 |
+
H63 V
|
| 64 |
+
H64 K
|
| 65 |
+
H65 G
|
| 66 |
+
H66 R
|
| 67 |
+
H67 F
|
| 68 |
+
H68 T
|
| 69 |
+
H69 I
|
| 70 |
+
H70 S
|
| 71 |
+
H71 K
|
| 72 |
+
H72 D
|
| 73 |
+
H73 N
|
| 74 |
+
H74 A
|
| 75 |
+
H75 K
|
| 76 |
+
H76 N
|
| 77 |
+
H77 T
|
| 78 |
+
H78 V
|
| 79 |
+
H79 Y
|
| 80 |
+
H80 L
|
| 81 |
+
H81 Q
|
| 82 |
+
H82 M
|
| 83 |
+
H82A N
|
| 84 |
+
H82B S
|
| 85 |
+
H82C L
|
| 86 |
+
H83 K
|
| 87 |
+
H84 P
|
| 88 |
+
H85 E
|
| 89 |
+
H86 D
|
| 90 |
+
H87 T
|
| 91 |
+
H88 A
|
| 92 |
+
H89 V
|
| 93 |
+
H90 Y
|
| 94 |
+
H91 Y
|
| 95 |
+
H92 C
|
| 96 |
+
H93 A
|
| 97 |
+
H94 A
|
| 98 |
+
H95 E
|
| 99 |
+
H96 D
|
| 100 |
+
H97 R
|
| 101 |
+
H98 H
|
| 102 |
+
H99 R
|
| 103 |
+
H100 I
|
| 104 |
+
H100A G
|
| 105 |
+
H100B T
|
| 106 |
+
H100C V
|
| 107 |
+
H101 G
|
| 108 |
+
H102 Y
|
| 109 |
+
H103 W
|
| 110 |
+
H104 G
|
| 111 |
+
H105 Q
|
| 112 |
+
H106 G
|
| 113 |
+
H107 T
|
| 114 |
+
H108 Q
|
| 115 |
+
H109 V
|
| 116 |
+
H110 T
|
| 117 |
+
H111 V
|
| 118 |
+
H112 S
|
| 119 |
+
H113 S
|
sabdab_dataset/1sjx/imgt/1sjx_A_H.ann
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
|
| 2 |
+
J Lamgla IGHJ4*01 IG IGHJ ? IGHJ4 NA False
|
| 3 |
+
V Lamgla IGHV1S3*01 IG IGHV IGHV1 IGHV1S3 NA False
|
sabdab_dataset/1sjx/sequence/1sjx_A_VH.fa
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1sjx_A|seqres|full
|
| 2 |
+
QVQLQESGGGLVQAGGSLRLSCQASGNIFRINDMGWYRQAPGTQRELVAAITSGGSTKYADSVKGRFTISKDNAKNTVYLQMNSLKPEDTAVYYCAAEDRHRIGTVGYWGQGTQVTVSSVHH
|
| 3 |
+
>1sjx_A|seqres|region: H
|
| 4 |
+
QVQLQESGGGLVQAGGSLRLSCQASGNIFRINDMGWYRQAPGTQRELVAAITSGGSTKYADSVKGRFTISKDNAKNTVYLQMNSLKPEDTAVYYCAAEDRHRIGTVGYWGQGTQVTVSS---
|
| 5 |
+
>1sjx_A|structure|full
|
| 6 |
+
QVQLQESGGGLVQAGGSLRLSCQASGNIFRINDMGWYRQAPGTQRELVAAITSGGSTKYADSVKGRFTISKDNAKNTVYLQMNSLKPEDTAVYYCAAEDRHRIGTVGYWGQGTQVTVSS---
|
sabdab_dataset/1sjx/sequence/1sjx_raw.pdb
ADDED
|
@@ -0,0 +1,2 @@
|
|
|
|
|
|
|
|
|
|
| 1 |
+
>1sjx_A|type: H
|
| 2 |
+
QVQLQESGGGLVQAGGSLRLSCQASGNIFRINDMGWYRQAPGTQRELVAAITSGGSTKYADSVKGRFTISKDNAKNTVYLQMNSLKPEDTAVYYCAAEDRHRIGTVGYWGQGTQVTVSSVHH
|
sabdab_dataset/1sjx/structure/1sjx.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
sabdab_dataset/1sjx/structure/chothia/1sjx.pdb
ADDED
|
@@ -0,0 +1,1006 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
| 1 |
+
REMARK 5 CHOTHIA RENUMBERED STRUCTURE 1SJX GENERATED BY SABDAB
|
| 2 |
+
REMARK 5 ANTIBODY CHAINS ARE RENUMBERED IN THE VARIABLE REGIONS ONLY
|
| 3 |
+
REMARK 5 NON ANTIBODY CHAINS ARE LEFT WITH RESIDUE IDS AS IN PDB
|
| 4 |
+
REMARK 5 SINGLE HCHAIN=A AGCHAIN=NONE AGTYPE=NONE
|
| 5 |
+
ATOM 1 N GLN A 1 -5.381 64.367 -8.162 1.00 20.23 N
|
| 6 |
+
ATOM 2 CA GLN A 1 -5.788 63.307 -7.207 1.00 18.99 C
|
| 7 |
+
ATOM 3 C GLN A 1 -4.943 62.057 -7.303 1.00 18.05 C
|
| 8 |
+
ATOM 4 O GLN A 1 -4.055 61.945 -8.146 1.00 17.10 O
|
| 9 |
+
ATOM 5 CB GLN A 1 -7.265 62.983 -7.344 1.00 18.73 C
|
| 10 |
+
ATOM 6 CG GLN A 1 -8.091 64.198 -7.043 1.00 22.08 C
|
| 11 |
+
ATOM 7 CD GLN A 1 -9.178 63.951 -6.049 1.00 24.45 C
|
| 12 |
+
ATOM 8 OE1 GLN A 1 -9.690 62.852 -5.951 1.00 27.43 O
|
| 13 |
+
ATOM 9 NE2 GLN A 1 -9.561 64.993 -5.318 1.00 29.00 N
|
| 14 |
+
ATOM 10 N VAL A 2 -5.231 61.134 -6.392 1.00 17.31 N
|
| 15 |
+
ATOM 11 CA VAL A 2 -4.338 60.051 -6.041 1.00 17.12 C
|
| 16 |
+
ATOM 12 C VAL A 2 -5.151 58.763 -6.016 1.00 17.44 C
|
| 17 |
+
ATOM 13 O VAL A 2 -6.316 58.760 -5.601 1.00 17.47 O
|
| 18 |
+
ATOM 14 CB VAL A 2 -3.702 60.319 -4.636 1.00 17.01 C
|
| 19 |
+
ATOM 15 CG1 VAL A 2 -2.977 59.087 -4.096 1.00 16.86 C
|
| 20 |
+
ATOM 16 CG2 VAL A 2 -2.758 61.530 -4.681 1.00 16.43 C
|
| 21 |
+
ATOM 17 N GLN A 3 -4.540 57.675 -6.467 1.00 17.68 N
|
| 22 |
+
ATOM 18 CA GLN A 3 -5.159 56.362 -6.374 1.00 18.16 C
|
| 23 |
+
ATOM 19 C GLN A 3 -4.262 55.430 -5.570 1.00 18.01 C
|
| 24 |
+
ATOM 20 O GLN A 3 -3.030 55.528 -5.619 1.00 17.30 O
|
| 25 |
+
ATOM 21 CB GLN A 3 -5.475 55.788 -7.766 1.00 18.55 C
|
| 26 |
+
ATOM 22 CG GLN A 3 -6.240 56.761 -8.693 1.00 20.61 C
|
| 27 |
+
ATOM 23 CD GLN A 3 -5.314 57.716 -9.467 1.00 23.62 C
|
| 28 |
+
ATOM 24 OE1 GLN A 3 -5.495 58.946 -9.434 1.00 25.46 O
|
| 29 |
+
ATOM 25 NE2 GLN A 3 -4.330 57.152 -10.163 1.00 24.75 N
|
| 30 |
+
ATOM 26 N LEU A 4 -4.902 54.533 -4.824 1.00 17.96 N
|
| 31 |
+
ATOM 27 CA LEU A 4 -4.214 53.620 -3.920 1.00 18.31 C
|
| 32 |
+
ATOM 28 C LEU A 4 -4.630 52.212 -4.303 1.00 18.71 C
|
| 33 |
+
ATOM 29 O LEU A 4 -5.816 51.947 -4.469 1.00 18.43 O
|
| 34 |
+
ATOM 30 CB LEU A 4 -4.636 53.901 -2.469 1.00 17.88 C
|
| 35 |
+
ATOM 31 CG LEU A 4 -3.871 54.842 -1.524 1.00 18.65 C
|
| 36 |
+
ATOM 32 CD1 LEU A 4 -2.977 55.856 -2.217 1.00 15.71 C
|
| 37 |
+
ATOM 33 CD2 LEU A 4 -4.794 55.529 -0.507 1.00 16.06 C
|
| 38 |
+
ATOM 34 N GLN A 5 -3.667 51.313 -4.447 1.00 18.98 N
|
| 39 |
+
ATOM 35 CA GLN A 5 -3.995 49.944 -4.819 1.00 20.01 C
|
| 40 |
+
ATOM 36 C GLN A 5 -3.259 48.932 -3.938 1.00 19.88 C
|
| 41 |
+
ATOM 37 O GLN A 5 -2.018 48.858 -3.960 1.00 20.17 O
|
| 42 |
+
ATOM 38 CB GLN A 5 -3.732 49.711 -6.313 1.00 19.99 C
|
| 43 |
+
ATOM 39 CG GLN A 5 -4.161 48.333 -6.825 1.00 23.17 C
|
| 44 |
+
ATOM 40 CD GLN A 5 -5.643 48.027 -6.590 1.00 25.70 C
|
| 45 |
+
ATOM 41 OE1 GLN A 5 -6.497 48.525 -7.319 1.00 28.13 O
|
| 46 |
+
ATOM 42 NE2 GLN A 5 -5.943 47.210 -5.571 1.00 25.85 N
|
| 47 |
+
ATOM 43 N GLU A 6 -4.043 48.189 -3.155 1.00 19.30 N
|
| 48 |
+
ATOM 44 CA GLU A 6 -3.536 47.173 -2.241 1.00 19.21 C
|
| 49 |
+
ATOM 45 C GLU A 6 -3.342 45.848 -2.951 1.00 18.78 C
|
| 50 |
+
ATOM 46 O GLU A 6 -4.042 45.546 -3.923 1.00 19.23 O
|
| 51 |
+
ATOM 47 CB GLU A 6 -4.504 46.942 -1.075 1.00 19.45 C
|
| 52 |
+
ATOM 48 CG GLU A 6 -4.769 48.161 -0.198 1.00 20.55 C
|
| 53 |
+
ATOM 49 CD GLU A 6 -6.127 48.754 -0.474 1.00 22.36 C
|
| 54 |
+
ATOM 50 OE1 GLU A 6 -6.606 48.590 -1.618 1.00 25.80 O
|
| 55 |
+
ATOM 51 OE2 GLU A 6 -6.715 49.383 0.427 1.00 21.16 O
|
| 56 |
+
ATOM 52 N SER A 7 -2.395 45.060 -2.452 1.00 17.71 N
|
| 57 |
+
ATOM 53 CA SER A 7 -2.209 43.685 -2.891 1.00 17.40 C
|
| 58 |
+
ATOM 54 C SER A 7 -1.414 42.931 -1.833 1.00 17.43 C
|
| 59 |
+
ATOM 55 O SER A 7 -0.927 43.527 -0.867 1.00 16.88 O
|
| 60 |
+
ATOM 56 CB SER A 7 -1.493 43.635 -4.242 1.00 16.93 C
|
| 61 |
+
ATOM 57 OG SER A 7 -0.221 44.233 -4.157 1.00 16.01 O
|
| 62 |
+
ATOM 58 N GLY A 8 -1.277 41.624 -2.015 1.00 17.30 N
|
| 63 |
+
ATOM 59 CA GLY A 8 -0.540 40.820 -1.052 1.00 17.27 C
|
| 64 |
+
ATOM 60 C GLY A 8 -1.397 40.119 -0.012 1.00 17.19 C
|
| 65 |
+
ATOM 61 O GLY A 8 -0.859 39.395 0.835 1.00 18.02 O
|
| 66 |
+
ATOM 62 N GLY A 9 -2.716 40.313 -0.063 1.00 16.47 N
|
| 67 |
+
ATOM 63 CA GLY A 9 -3.622 39.606 0.829 1.00 16.24 C
|
| 68 |
+
ATOM 64 C GLY A 9 -3.676 38.115 0.543 1.00 16.51 C
|
| 69 |
+
ATOM 65 O GLY A 9 -3.056 37.623 -0.414 1.00 16.60 O
|
| 70 |
+
ATOM 66 N GLY A 10 -4.422 37.389 1.371 1.00 16.17 N
|
| 71 |
+
ATOM 67 CA GLY A 10 -4.619 35.974 1.161 1.00 16.34 C
|
| 72 |
+
ATOM 68 C GLY A 10 -4.831 35.171 2.431 1.00 16.59 C
|
| 73 |
+
ATOM 69 O GLY A 10 -5.233 35.705 3.467 1.00 16.03 O
|
| 74 |
+
ATOM 70 N LEU A 11 -4.552 33.874 2.326 1.00 16.76 N
|
| 75 |
+
ATOM 71 CA LEU A 11 -4.767 32.923 3.400 1.00 17.06 C
|
| 76 |
+
ATOM 72 C LEU A 11 -3.436 32.476 4.019 1.00 17.91 C
|
| 77 |
+
ATOM 73 O LEU A 11 -2.511 32.072 3.314 1.00 17.40 O
|
| 78 |
+
ATOM 74 CB LEU A 11 -5.539 31.716 2.861 1.00 16.65 C
|
| 79 |
+
ATOM 75 CG LEU A 11 -5.702 30.468 3.729 1.00 16.16 C
|
| 80 |
+
ATOM 76 CD1 LEU A 11 -6.710 30.756 4.832 1.00 15.29 C
|
| 81 |
+
ATOM 77 CD2 LEU A 11 -6.138 29.252 2.875 1.00 15.43 C
|
| 82 |
+
ATOM 78 N VAL A 12 -3.360 32.536 5.342 1.00 19.05 N
|
| 83 |
+
ATOM 79 CA VAL A 12 -2.155 32.133 6.058 1.00 20.65 C
|
| 84 |
+
ATOM 80 C VAL A 12 -2.552 31.396 7.332 1.00 21.59 C
|
| 85 |
+
ATOM 81 O VAL A 12 -3.580 31.704 7.938 1.00 22.19 O
|
| 86 |
+
ATOM 82 CB VAL A 12 -1.237 33.365 6.344 1.00 20.80 C
|
| 87 |
+
ATOM 83 CG1 VAL A 12 -1.980 34.430 7.106 1.00 20.59 C
|
| 88 |
+
ATOM 84 CG2 VAL A 12 0.031 32.970 7.072 1.00 21.61 C
|
| 89 |
+
ATOM 85 N GLN A 13 -1.758 30.392 7.702 1.00 22.76 N
|
| 90 |
+
ATOM 86 CA GLN A 13 -1.930 29.663 8.955 1.00 23.28 C
|
| 91 |
+
ATOM 87 C GLN A 13 -1.586 30.557 10.139 1.00 22.69 C
|
| 92 |
+
ATOM 88 O GLN A 13 -0.645 31.352 10.066 1.00 21.96 O
|
| 93 |
+
ATOM 89 CB GLN A 13 -1.030 28.424 8.977 1.00 23.86 C
|
| 94 |
+
ATOM 90 CG GLN A 13 -1.480 27.314 8.016 1.00 27.40 C
|
| 95 |
+
ATOM 91 CD GLN A 13 -0.939 25.936 8.387 1.00 31.43 C
|
| 96 |
+
ATOM 92 OE1 GLN A 13 -1.674 24.945 8.337 1.00 33.29 O
|
| 97 |
+
ATOM 93 NE2 GLN A 13 0.345 25.868 8.753 1.00 32.90 N
|
| 98 |
+
ATOM 94 N ALA A 14 -2.347 30.410 11.227 1.00 22.69 N
|
| 99 |
+
ATOM 95 CA ALA A 14 -2.062 31.120 12.477 1.00 22.50 C
|
| 100 |
+
ATOM 96 C ALA A 14 -0.594 30.935 12.860 1.00 22.53 C
|
| 101 |
+
ATOM 97 O ALA A 14 -0.055 29.822 12.759 1.00 22.28 O
|
| 102 |
+
ATOM 98 CB ALA A 14 -2.979 30.631 13.593 1.00 22.74 C
|
| 103 |
+
ATOM 99 N GLY A 15 0.051 32.027 13.267 1.00 22.31 N
|
| 104 |
+
ATOM 100 CA GLY A 15 1.470 32.013 13.580 1.00 22.58 C
|
| 105 |
+
ATOM 101 C GLY A 15 2.347 32.424 12.406 1.00 22.96 C
|
| 106 |
+
ATOM 102 O GLY A 15 3.505 32.803 12.603 1.00 23.21 O
|
| 107 |
+
ATOM 103 N GLY A 16 1.792 32.369 11.192 1.00 23.01 N
|
| 108 |
+
ATOM 104 CA GLY A 16 2.507 32.736 9.976 1.00 23.04 C
|
| 109 |
+
ATOM 105 C GLY A 16 2.646 34.238 9.750 1.00 23.47 C
|
| 110 |
+
ATOM 106 O GLY A 16 2.217 35.053 10.578 1.00 23.20 O
|
| 111 |
+
ATOM 107 N SER A 17 3.237 34.592 8.609 1.00 23.83 N
|
| 112 |
+
ATOM 108 CA SER A 17 3.536 35.975 8.245 1.00 24.24 C
|
| 113 |
+
ATOM 109 C SER A 17 2.939 36.347 6.886 1.00 24.23 C
|
| 114 |
+
ATOM 110 O SER A 17 2.720 35.479 6.037 1.00 23.81 O
|
| 115 |
+
ATOM 111 CB SER A 17 5.049 36.183 8.192 1.00 24.31 C
|
| 116 |
+
ATOM 112 OG SER A 17 5.593 36.274 9.495 1.00 26.32 O
|
| 117 |
+
ATOM 113 N LEU A 18 2.713 37.645 6.681 1.00 23.98 N
|
| 118 |
+
ATOM 114 CA LEU A 18 2.166 38.169 5.425 1.00 24.27 C
|
| 119 |
+
ATOM 115 C LEU A 18 2.560 39.631 5.254 1.00 23.63 C
|
| 120 |
+
ATOM 116 O LEU A 18 2.498 40.409 6.207 1.00 23.62 O
|
| 121 |
+
ATOM 117 CB LEU A 18 0.637 38.092 5.438 1.00 24.72 C
|
| 122 |
+
ATOM 118 CG LEU A 18 -0.211 37.348 4.417 1.00 26.66 C
|
| 123 |
+
ATOM 119 CD1 LEU A 18 -1.545 38.053 4.256 1.00 28.36 C
|
| 124 |
+
ATOM 120 CD2 LEU A 18 0.477 37.157 3.064 1.00 28.73 C
|
| 125 |
+
ATOM 121 N ARG A 19 2.938 40.002 4.034 1.00 23.12 N
|
| 126 |
+
ATOM 122 CA ARG A 19 3.295 41.375 3.712 1.00 22.90 C
|
| 127 |
+
ATOM 123 C ARG A 19 2.306 41.996 2.725 1.00 22.14 C
|
| 128 |
+
ATOM 124 O ARG A 19 2.190 41.541 1.588 1.00 22.29 O
|
| 129 |
+
ATOM 125 CB ARG A 19 4.709 41.412 3.149 1.00 23.21 C
|
| 130 |
+
ATOM 126 CG ARG A 19 5.281 42.805 2.930 1.00 25.16 C
|
| 131 |
+
ATOM 127 CD ARG A 19 5.979 42.919 1.590 1.00 27.90 C
|
| 132 |
+
ATOM 128 NE ARG A 19 7.196 43.714 1.627 1.00 30.55 N
|
| 133 |
+
ATOM 129 CZ ARG A 19 7.929 43.992 0.549 1.00 32.59 C
|
| 134 |
+
ATOM 130 NH1 ARG A 19 7.563 43.545 -0.650 1.00 32.68 N
|
| 135 |
+
ATOM 131 NH2 ARG A 19 9.028 44.725 0.666 1.00 33.33 N
|
| 136 |
+
ATOM 132 N LEU A 20 1.602 43.039 3.162 1.00 20.93 N
|
| 137 |
+
ATOM 133 CA LEU A 20 0.699 43.783 2.277 1.00 20.03 C
|
| 138 |
+
ATOM 134 C LEU A 20 1.437 44.943 1.621 1.00 19.70 C
|
| 139 |
+
ATOM 135 O LEU A 20 2.332 45.519 2.228 1.00 19.10 O
|
| 140 |
+
ATOM 136 CB LEU A 20 -0.494 44.345 3.050 1.00 19.75 C
|
| 141 |
+
ATOM 137 CG LEU A 20 -1.362 43.404 3.873 1.00 19.29 C
|
| 142 |
+
ATOM 138 CD1 LEU A 20 -2.532 44.169 4.447 1.00 17.71 C
|
| 143 |
+
ATOM 139 CD2 LEU A 20 -1.831 42.200 3.044 1.00 18.47 C
|
| 144 |
+
ATOM 140 N SER A 21 1.041 45.275 0.394 1.00 19.08 N
|
| 145 |
+
ATOM 141 CA SER A 21 1.614 46.389 -0.355 1.00 19.34 C
|
| 146 |
+
ATOM 142 C SER A 21 0.503 47.333 -0.772 1.00 19.26 C
|
| 147 |
+
ATOM 143 O SER A 21 -0.605 46.900 -1.096 1.00 19.20 O
|
| 148 |
+
ATOM 144 CB SER A 21 2.351 45.898 -1.607 1.00 19.05 C
|
| 149 |
+
ATOM 145 OG SER A 21 3.431 45.050 -1.273 1.00 19.97 O
|
| 150 |
+
ATOM 146 N CYS A 22 0.801 48.623 -0.735 1.00 19.46 N
|
| 151 |
+
ATOM 147 CA CYS A 22 -0.096 49.639 -1.252 1.00 19.86 C
|
| 152 |
+
ATOM 148 C CYS A 22 0.696 50.573 -2.143 1.00 19.99 C
|
| 153 |
+
ATOM 149 O CYS A 22 1.579 51.297 -1.679 1.00 19.86 O
|
| 154 |
+
ATOM 150 CB CYS A 22 -0.715 50.423 -0.117 1.00 20.16 C
|
| 155 |
+
ATOM 151 SG CYS A 22 -1.663 51.871 -0.623 1.00 21.95 S
|
| 156 |
+
ATOM 152 N GLN A 23 0.392 50.534 -3.432 1.00 19.93 N
|
| 157 |
+
ATOM 153 CA GLN A 23 1.036 51.415 -4.381 1.00 19.60 C
|
| 158 |
+
ATOM 154 C GLN A 23 0.163 52.628 -4.628 1.00 19.06 C
|
| 159 |
+
ATOM 155 O GLN A 23 -1.022 52.502 -4.947 1.00 18.27 O
|
| 160 |
+
ATOM 156 CB GLN A 23 1.289 50.695 -5.707 1.00 20.07 C
|
| 161 |
+
ATOM 157 CG GLN A 23 1.902 51.623 -6.758 1.00 21.97 C
|
| 162 |
+
ATOM 158 CD GLN A 23 2.882 50.922 -7.650 1.00 24.36 C
|
| 163 |
+
ATOM 159 OE1 GLN A 23 4.081 51.223 -7.631 1.00 25.88 O
|
| 164 |
+
ATOM 160 NE2 GLN A 23 2.384 49.996 -8.450 1.00 25.09 N
|
| 165 |
+
ATOM 161 N ALA A 24 0.766 53.804 -4.487 1.00 18.46 N
|
| 166 |
+
ATOM 162 CA ALA A 24 0.084 55.037 -4.797 1.00 18.20 C
|
| 167 |
+
ATOM 163 C ALA A 24 0.462 55.439 -6.214 1.00 18.22 C
|
| 168 |
+
ATOM 164 O ALA A 24 1.600 55.236 -6.636 1.00 18.26 O
|
| 169 |
+
ATOM 165 CB ALA A 24 0.488 56.124 -3.803 1.00 18.26 C
|
| 170 |
+
ATOM 166 N SER A 25 -0.489 56.017 -6.943 1.00 18.02 N
|
| 171 |
+
ATOM 167 CA SER A 25 -0.205 56.597 -8.254 1.00 17.93 C
|
| 172 |
+
ATOM 168 C SER A 25 -0.970 57.901 -8.406 1.00 18.00 C
|
| 173 |
+
ATOM 169 O SER A 25 -1.819 58.225 -7.570 1.00 18.15 O
|
| 174 |
+
ATOM 170 CB SER A 25 -0.530 55.620 -9.398 1.00 18.07 C
|
| 175 |
+
ATOM 171 OG SER A 25 -1.793 55.010 -9.222 1.00 18.42 O
|
| 176 |
+
ATOM 172 N GLY A 26 -0.651 58.646 -9.463 1.00 18.00 N
|
| 177 |
+
ATOM 173 CA GLY A 26 -1.236 59.948 -9.709 1.00 17.98 C
|
| 178 |
+
ATOM 174 C GLY A 26 -0.364 61.041 -9.125 1.00 18.25 C
|
| 179 |
+
ATOM 175 O GLY A 26 0.862 61.022 -9.278 1.00 17.75 O
|
| 180 |
+
ATOM 176 N ASN A 27 -1.000 61.982 -8.435 1.00 18.29 N
|
| 181 |
+
ATOM 177 CA ASN A 27 -0.306 63.140 -7.878 1.00 18.75 C
|
| 182 |
+
ATOM 178 C ASN A 27 0.310 62.873 -6.494 1.00 18.65 C
|
| 183 |
+
ATOM 179 O ASN A 27 -0.140 63.395 -5.474 1.00 18.17 O
|
| 184 |
+
ATOM 180 CB ASN A 27 -1.225 64.363 -7.887 1.00 18.72 C
|
| 185 |
+
ATOM 181 CG ASN A 27 -1.588 64.816 -9.314 1.00 20.32 C
|
| 186 |
+
ATOM 182 OD1 ASN A 27 -0.733 64.885 -10.202 1.00 20.84 O
|
| 187 |
+
ATOM 183 ND2 ASN A 27 -2.860 65.126 -9.530 1.00 21.14 N
|
| 188 |
+
ATOM 184 N ILE A 28 1.361 62.055 -6.511 1.00 18.84 N
|
| 189 |
+
ATOM 185 CA ILE A 28 2.110 61.601 -5.338 1.00 18.80 C
|
| 190 |
+
ATOM 186 C ILE A 28 2.521 62.731 -4.401 1.00 18.05 C
|
| 191 |
+
ATOM 187 O ILE A 28 2.498 62.571 -3.179 1.00 18.04 O
|
| 192 |
+
ATOM 188 CB ILE A 28 3.383 60.818 -5.802 1.00 19.30 C
|
| 193 |
+
ATOM 189 CG1 ILE A 28 3.014 59.632 -6.720 1.00 20.55 C
|
| 194 |
+
ATOM 190 CG2 ILE A 28 4.231 60.351 -4.595 1.00 20.03 C
|
| 195 |
+
ATOM 191 CD1 ILE A 28 1.905 58.725 -6.172 1.00 21.76 C
|
| 196 |
+
ATOM 192 N PHE A 29 2.892 63.867 -4.979 1.00 17.55 N
|
| 197 |
+
ATOM 193 CA PHE A 29 3.350 65.029 -4.219 1.00 16.92 C
|
| 198 |
+
ATOM 194 C PHE A 29 2.285 65.582 -3.261 1.00 16.77 C
|
| 199 |
+
ATOM 195 O PHE A 29 2.597 66.341 -2.351 1.00 16.77 O
|
| 200 |
+
ATOM 196 CB PHE A 29 3.833 66.122 -5.176 1.00 16.93 C
|
| 201 |
+
ATOM 197 CG PHE A 29 2.732 66.748 -5.987 1.00 16.63 C
|
| 202 |
+
ATOM 198 CD1 PHE A 29 2.031 67.863 -5.498 1.00 15.16 C
|
| 203 |
+
ATOM 199 CD2 PHE A 29 2.392 66.230 -7.241 1.00 15.99 C
|
| 204 |
+
ATOM 200 CE1 PHE A 29 1.009 68.450 -6.246 1.00 14.32 C
|
| 205 |
+
ATOM 201 CE2 PHE A 29 1.370 66.811 -8.003 1.00 15.16 C
|
| 206 |
+
ATOM 202 CZ PHE A 29 0.678 67.922 -7.504 1.00 15.04 C
|
| 207 |
+
ATOM 203 N ARG A 30 1.033 65.196 -3.484 1.00 16.16 N
|
| 208 |
+
ATOM 204 CA ARG A 30 -0.089 65.609 -2.656 1.00 15.95 C
|
| 209 |
+
ATOM 205 C ARG A 30 -0.232 64.766 -1.364 1.00 15.66 C
|
| 210 |
+
ATOM 206 O ARG A 30 -0.924 65.163 -0.421 1.00 15.21 O
|
| 211 |
+
ATOM 207 CB ARG A 30 -1.359 65.427 -3.461 1.00 16.28 C
|
| 212 |
+
ATOM 208 CG ARG A 30 -1.810 66.591 -4.314 1.00 16.38 C
|
| 213 |
+
ATOM 209 CD ARG A 30 -3.258 66.848 -4.013 1.00 16.95 C
|
| 214 |
+
ATOM 210 NE ARG A 30 -4.049 67.228 -5.148 1.00 16.28 N
|
| 215 |
+
ATOM 211 CZ ARG A 30 -5.313 67.610 -5.071 1.00 14.60 C
|
| 216 |
+
ATOM 212 NH1 ARG A 30 -5.945 67.618 -3.902 1.00 12.13 N
|
| 217 |
+
ATOM 213 NH2 ARG A 30 -5.941 67.974 -6.176 1.00 13.62 N
|
| 218 |
+
ATOM 214 N ILE A 31 0.398 63.598 -1.331 1.00 15.27 N
|
| 219 |
+
ATOM 215 CA ILE A 31 0.288 62.718 -0.165 1.00 15.04 C
|
| 220 |
+
ATOM 216 C ILE A 31 1.081 63.242 1.018 1.00 14.96 C
|
| 221 |
+
ATOM 217 O ILE A 31 2.234 63.654 0.869 1.00 14.62 O
|
| 222 |
+
ATOM 218 CB ILE A 31 0.711 61.268 -0.514 1.00 15.23 C
|
| 223 |
+
ATOM 219 CG1 ILE A 31 -0.199 60.687 -1.598 1.00 15.33 C
|
| 224 |
+
ATOM 220 CG2 ILE A 31 0.701 60.359 0.736 1.00 14.34 C
|
| 225 |
+
ATOM 221 CD1 ILE A 31 0.400 59.484 -2.329 1.00 17.08 C
|
| 226 |
+
ATOM 222 N ASN A 32 0.437 63.253 2.187 1.00 15.14 N
|
| 227 |
+
ATOM 223 CA ASN A 32 1.129 63.503 3.451 1.00 15.60 C
|
| 228 |
+
ATOM 224 C ASN A 32 1.277 62.175 4.235 1.00 15.93 C
|
| 229 |
+
ATOM 225 O ASN A 32 2.047 61.298 3.813 1.00 15.96 O
|
| 230 |
+
ATOM 226 CB ASN A 32 0.425 64.603 4.255 1.00 15.01 C
|
| 231 |
+
ATOM 227 CG ASN A 32 1.367 65.339 5.185 1.00 16.99 C
|
| 232 |
+
ATOM 228 OD1 ASN A 32 2.409 65.853 4.754 1.00 18.37 O
|
| 233 |
+
ATOM 229 ND2 ASN A 32 1.005 65.410 6.477 1.00 14.53 N
|
| 234 |
+
ATOM 230 N ASP A 33 0.553 62.020 5.345 1.00 15.62 N
|
| 235 |
+
ATOM 231 CA ASP A 33 0.594 60.773 6.113 1.00 16.44 C
|
| 236 |
+
ATOM 232 C ASP A 33 -0.108 59.656 5.342 1.00 16.88 C
|
| 237 |
+
ATOM 233 O ASP A 33 -0.988 59.921 4.508 1.00 16.54 O
|
| 238 |
+
ATOM 234 CB ASP A 33 -0.087 60.927 7.483 1.00 15.83 C
|
| 239 |
+
ATOM 235 CG ASP A 33 0.645 61.883 8.403 1.00 17.24 C
|
| 240 |
+
ATOM 236 OD1 ASP A 33 0.096 62.182 9.489 1.00 17.36 O
|
| 241 |
+
ATOM 237 OD2 ASP A 33 1.764 62.391 8.134 1.00 16.46 O
|
| 242 |
+
ATOM 238 N MET A 34 0.305 58.420 5.619 1.00 17.07 N
|
| 243 |
+
ATOM 239 CA MET A 34 -0.378 57.240 5.112 1.00 17.67 C
|
| 244 |
+
ATOM 240 C MET A 34 -0.616 56.241 6.249 1.00 17.97 C
|
| 245 |
+
ATOM 241 O MET A 34 0.014 56.329 7.311 1.00 17.56 O
|
| 246 |
+
ATOM 242 CB MET A 34 0.400 56.605 3.961 1.00 17.77 C
|
| 247 |
+
ATOM 243 CG MET A 34 0.356 57.426 2.674 1.00 18.36 C
|
| 248 |
+
ATOM 244 SD MET A 34 0.995 56.559 1.220 1.00 19.65 S
|
| 249 |
+
ATOM 245 CE MET A 34 -0.326 55.409 0.957 1.00 19.94 C
|
| 250 |
+
ATOM 246 N GLY A 35 -1.549 55.314 6.034 1.00 18.02 N
|
| 251 |
+
ATOM 247 CA GLY A 35 -1.854 54.319 7.042 1.00 17.96 C
|
| 252 |
+
ATOM 248 C GLY A 35 -2.619 53.108 6.551 1.00 17.97 C
|
| 253 |
+
ATOM 249 O GLY A 35 -3.104 53.073 5.416 1.00 17.63 O
|
| 254 |
+
ATOM 250 N TRP A 36 -2.735 52.132 7.448 1.00 17.83 N
|
| 255 |
+
ATOM 251 CA TRP A 36 -3.481 50.916 7.228 1.00 18.13 C
|
| 256 |
+
ATOM 252 C TRP A 36 -4.596 50.834 8.249 1.00 18.66 C
|
| 257 |
+
ATOM 253 O TRP A 36 -4.374 51.035 9.451 1.00 19.06 O
|
| 258 |
+
ATOM 254 CB TRP A 36 -2.569 49.699 7.386 1.00 17.70 C
|
| 259 |
+
ATOM 255 CG TRP A 36 -1.610 49.514 6.249 1.00 17.73 C
|
| 260 |
+
ATOM 256 CD1 TRP A 36 -0.295 49.911 6.199 1.00 17.81 C
|
| 261 |
+
ATOM 257 CD2 TRP A 36 -1.883 48.883 4.998 1.00 17.17 C
|
| 262 |
+
ATOM 258 NE1 TRP A 36 0.266 49.547 4.997 1.00 17.72 N
|
| 263 |
+
ATOM 259 CE2 TRP A 36 -0.685 48.911 4.240 1.00 17.65 C
|
| 264 |
+
ATOM 260 CE3 TRP A 36 -3.019 48.273 4.440 1.00 17.50 C
|
| 265 |
+
ATOM 261 CZ2 TRP A 36 -0.595 48.367 2.955 1.00 17.01 C
|
| 266 |
+
ATOM 262 CZ3 TRP A 36 -2.928 47.733 3.167 1.00 17.14 C
|
| 267 |
+
ATOM 263 CH2 TRP A 36 -1.725 47.791 2.436 1.00 17.66 C
|
| 268 |
+
ATOM 264 N TYR A 37 -5.793 50.562 7.748 1.00 18.66 N
|
| 269 |
+
ATOM 265 CA TYR A 37 -6.970 50.348 8.561 1.00 18.95 C
|
| 270 |
+
ATOM 266 C TYR A 37 -7.381 48.902 8.291 1.00 19.96 C
|
| 271 |
+
ATOM 267 O TYR A 37 -6.968 48.310 7.287 1.00 19.64 O
|
| 272 |
+
ATOM 268 CB TYR A 37 -8.110 51.289 8.125 1.00 18.34 C
|
| 273 |
+
ATOM 269 CG TYR A 37 -7.898 52.750 8.472 1.00 17.33 C
|
| 274 |
+
ATOM 270 CD1 TYR A 37 -6.964 53.525 7.778 1.00 16.38 C
|
| 275 |
+
ATOM 271 CD2 TYR A 37 -8.632 53.358 9.495 1.00 16.70 C
|
| 276 |
+
ATOM 272 CE1 TYR A 37 -6.758 54.875 8.102 1.00 17.50 C
|
| 277 |
+
ATOM 273 CE2 TYR A 37 -8.436 54.719 9.827 1.00 17.41 C
|
| 278 |
+
ATOM 274 CZ TYR A 37 -7.496 55.463 9.118 1.00 16.95 C
|
| 279 |
+
ATOM 275 OH TYR A 37 -7.281 56.787 9.417 1.00 18.71 O
|
| 280 |
+
ATOM 276 N ARG A 38 -8.186 48.340 9.184 1.00 20.93 N
|
| 281 |
+
ATOM 277 CA ARG A 38 -8.766 47.024 8.955 1.00 22.19 C
|
| 282 |
+
ATOM 278 C ARG A 38 -10.204 46.990 9.454 1.00 23.30 C
|
| 283 |
+
ATOM 279 O ARG A 38 -10.592 47.767 10.335 1.00 22.88 O
|
| 284 |
+
ATOM 280 CB ARG A 38 -7.919 45.912 9.586 1.00 21.67 C
|
| 285 |
+
ATOM 281 CG ARG A 38 -8.113 45.725 11.080 1.00 21.58 C
|
| 286 |
+
ATOM 282 CD ARG A 38 -7.182 44.695 11.675 1.00 21.30 C
|
| 287 |
+
ATOM 283 NE ARG A 38 -7.232 44.660 13.133 1.00 21.56 N
|
| 288 |
+
ATOM 284 CZ ARG A 38 -6.476 43.861 13.884 1.00 21.68 C
|
| 289 |
+
ATOM 285 NH1 ARG A 38 -5.598 43.015 13.319 1.00 19.33 N
|
| 290 |
+
ATOM 286 NH2 ARG A 38 -6.602 43.904 15.200 1.00 19.56 N
|
| 291 |
+
ATOM 287 N GLN A 39 -10.989 46.100 8.864 1.00 24.69 N
|
| 292 |
+
ATOM 288 CA GLN A 39 -12.384 45.935 9.238 1.00 27.15 C
|
| 293 |
+
ATOM 289 C GLN A 39 -12.692 44.448 9.270 1.00 28.19 C
|
| 294 |
+
ATOM 290 O GLN A 39 -12.843 43.809 8.222 1.00 28.11 O
|
| 295 |
+
ATOM 291 CB GLN A 39 -13.298 46.674 8.256 1.00 27.05 C
|
| 296 |
+
ATOM 292 CG GLN A 39 -14.776 46.490 8.529 1.00 30.07 C
|
| 297 |
+
ATOM 293 CD GLN A 39 -15.619 47.695 8.147 1.00 33.92 C
|
| 298 |
+
ATOM 294 OE1 GLN A 39 -16.685 47.908 8.729 1.00 35.79 O
|
| 299 |
+
ATOM 295 NE2 GLN A 39 -15.154 48.482 7.173 1.00 35.50 N
|
| 300 |
+
ATOM 296 N ALA A 40 -12.751 43.904 10.483 1.00 29.91 N
|
| 301 |
+
ATOM 297 CA ALA A 40 -13.073 42.496 10.698 1.00 31.61 C
|
| 302 |
+
ATOM 298 C ALA A 40 -14.564 42.261 10.444 1.00 33.06 C
|
| 303 |
+
ATOM 299 O ALA A 40 -15.355 43.214 10.507 1.00 33.21 O
|
| 304 |
+
ATOM 300 CB ALA A 40 -12.684 42.073 12.120 1.00 31.61 C
|
| 305 |
+
ATOM 301 N PRO A 41 -14.947 41.014 10.140 1.00 34.36 N
|
| 306 |
+
ATOM 302 CA PRO A 41 -16.358 40.671 9.921 1.00 35.28 C
|
| 307 |
+
ATOM 303 C PRO A 41 -17.225 41.094 11.110 1.00 36.17 C
|
| 308 |
+
ATOM 304 O PRO A 41 -17.000 40.608 12.224 1.00 36.33 O
|
| 309 |
+
ATOM 305 CB PRO A 41 -16.332 39.140 9.799 1.00 35.45 C
|
| 310 |
+
ATOM 306 CG PRO A 41 -14.951 38.810 9.339 1.00 34.93 C
|
| 311 |
+
ATOM 307 CD PRO A 41 -14.065 39.840 9.976 1.00 34.54 C
|
| 312 |
+
ATOM 308 N GLY A 42 -18.174 42.003 10.872 1.00 36.87 N
|
| 313 |
+
ATOM 309 CA GLY A 42 -19.067 42.488 11.914 1.00 37.65 C
|
| 314 |
+
ATOM 310 C GLY A 42 -18.654 43.777 12.617 1.00 38.25 C
|
| 315 |
+
ATOM 311 O GLY A 42 -19.509 44.491 13.156 1.00 38.35 O
|
| 316 |
+
ATOM 312 N THR A 43 -17.356 44.084 12.606 1.00 38.35 N
|
| 317 |
+
ATOM 313 CA THR A 43 -16.814 45.196 13.394 1.00 38.54 C
|
| 318 |
+
ATOM 314 C THR A 43 -16.648 46.488 12.599 1.00 38.21 C
|
| 319 |
+
ATOM 315 O THR A 43 -16.818 46.510 11.377 1.00 38.41 O
|
| 320 |
+
ATOM 316 CB THR A 43 -15.464 44.796 14.042 1.00 38.66 C
|
| 321 |
+
ATOM 317 OG1 THR A 43 -15.420 43.376 14.229 1.00 39.47 O
|
| 322 |
+
ATOM 318 CG2 THR A 43 -15.375 45.332 15.470 1.00 39.40 C
|
| 323 |
+
ATOM 319 N GLN A 44 -16.320 47.564 13.312 1.00 37.69 N
|
| 324 |
+
ATOM 320 CA GLN A 44 -16.035 48.858 12.705 1.00 37.08 C
|
| 325 |
+
ATOM 321 C GLN A 44 -14.588 48.898 12.190 1.00 35.88 C
|
| 326 |
+
ATOM 322 O GLN A 44 -13.732 48.147 12.666 1.00 35.74 O
|
| 327 |
+
ATOM 323 CB GLN A 44 -16.310 49.978 13.728 1.00 37.74 C
|
| 328 |
+
ATOM 324 CG GLN A 44 -15.724 51.373 13.412 1.00 40.16 C
|
| 329 |
+
ATOM 325 CD GLN A 44 -16.422 52.096 12.248 1.00 43.92 C
|
| 330 |
+
ATOM 326 OE1 GLN A 44 -15.799 52.918 11.554 1.00 45.38 O
|
| 331 |
+
ATOM 327 NE2 GLN A 44 -17.708 51.801 12.040 1.00 44.77 N
|
| 332 |
+
ATOM 328 N ARG A 45 -14.346 49.763 11.204 1.00 34.39 N
|
| 333 |
+
ATOM 329 CA ARG A 45 -13.021 50.036 10.665 1.00 33.20 C
|
| 334 |
+
ATOM 330 C ARG A 45 -12.138 50.686 11.730 1.00 32.28 C
|
| 335 |
+
ATOM 331 O ARG A 45 -12.543 51.670 12.359 1.00 32.61 O
|
| 336 |
+
ATOM 332 CB ARG A 45 -13.138 50.973 9.458 1.00 33.38 C
|
| 337 |
+
ATOM 333 CG ARG A 45 -11.986 50.904 8.470 1.00 33.51 C
|
| 338 |
+
ATOM 334 CD ARG A 45 -12.201 51.721 7.198 1.00 34.46 C
|
| 339 |
+
ATOM 335 NE ARG A 45 -13.169 51.108 6.291 1.00 36.64 N
|
| 340 |
+
ATOM 336 CZ ARG A 45 -13.367 51.467 5.020 1.00 38.02 C
|
| 341 |
+
ATOM 337 NH1 ARG A 45 -12.658 52.447 4.466 1.00 37.94 N
|
| 342 |
+
ATOM 338 NH2 ARG A 45 -14.280 50.835 4.293 1.00 37.79 N
|
| 343 |
+
ATOM 339 N GLU A 46 -10.941 50.140 11.934 1.00 30.40 N
|
| 344 |
+
ATOM 340 CA GLU A 46 -10.007 50.708 12.899 1.00 28.96 C
|
| 345 |
+
ATOM 341 C GLU A 46 -8.617 50.972 12.307 1.00 27.35 C
|
| 346 |
+
ATOM 342 O GLU A 46 -8.113 50.200 11.473 1.00 26.35 O
|
| 347 |
+
ATOM 343 CB GLU A 46 -9.911 49.820 14.149 1.00 29.55 C
|
| 348 |
+
ATOM 344 CG GLU A 46 -9.023 48.594 13.972 1.00 31.80 C
|
| 349 |
+
ATOM 345 CD GLU A 46 -8.926 47.712 15.208 1.00 34.57 C
|
| 350 |
+
ATOM 346 OE1 GLU A 46 -9.089 48.236 16.334 1.00 35.04 O
|
| 351 |
+
ATOM 347 OE2 GLU A 46 -8.666 46.490 15.037 1.00 35.65 O
|
| 352 |
+
ATOM 348 N LEU A 47 -8.013 52.072 12.752 1.00 25.35 N
|
| 353 |
+
ATOM 349 CA LEU A 47 -6.637 52.398 12.420 1.00 23.91 C
|
| 354 |
+
ATOM 350 C LEU A 47 -5.699 51.400 13.083 1.00 23.06 C
|
| 355 |
+
ATOM 351 O LEU A 47 -5.709 51.223 14.302 1.00 22.59 O
|
| 356 |
+
ATOM 352 CB LEU A 47 -6.291 53.810 12.893 1.00 23.50 C
|
| 357 |
+
ATOM 353 CG LEU A 47 -5.322 54.732 12.130 1.00 24.66 C
|
| 358 |
+
ATOM 354 CD1 LEU A 47 -4.510 55.616 13.101 1.00 22.88 C
|
| 359 |
+
ATOM 355 CD2 LEU A 47 -4.412 54.056 11.100 1.00 22.47 C
|
| 360 |
+
ATOM 356 N VAL A 48 -4.863 50.784 12.268 1.00 22.18 N
|
| 361 |
+
ATOM 357 CA VAL A 48 -3.940 49.764 12.733 1.00 22.00 C
|
| 362 |
+
ATOM 358 C VAL A 48 -2.490 50.273 12.779 1.00 21.30 C
|
| 363 |
+
ATOM 359 O VAL A 48 -1.747 49.978 13.722 1.00 21.00 O
|
| 364 |
+
ATOM 360 CB VAL A 48 -4.152 48.489 11.873 1.00 22.75 C
|
| 365 |
+
ATOM 361 CG1 VAL A 48 -2.870 47.768 11.561 1.00 22.46 C
|
| 366 |
+
ATOM 362 CG2 VAL A 48 -5.181 47.583 12.577 1.00 24.33 C
|
| 367 |
+
ATOM 363 N ALA A 49 -2.106 51.068 11.784 1.00 20.33 N
|
| 368 |
+
ATOM 364 CA ALA A 49 -0.746 51.602 11.701 1.00 20.37 C
|
| 369 |
+
ATOM 365 C ALA A 49 -0.724 52.845 10.816 1.00 20.16 C
|
| 370 |
+
ATOM 366 O ALA A 49 -1.506 52.938 9.871 1.00 20.95 O
|
| 371 |
+
ATOM 367 CB ALA A 49 0.238 50.546 11.179 1.00 19.43 C
|
| 372 |
+
ATOM 368 N ALA A 50 0.155 53.794 11.135 1.00 19.37 N
|
| 373 |
+
ATOM 369 CA ALA A 50 0.300 55.024 10.355 1.00 18.89 C
|
| 374 |
+
ATOM 370 C ALA A 50 1.762 55.431 10.242 1.00 18.55 C
|
| 375 |
+
ATOM 371 O ALA A 50 2.573 55.095 11.106 1.00 18.01 O
|
| 376 |
+
ATOM 372 CB ALA A 50 -0.526 56.166 10.965 1.00 18.51 C
|
| 377 |
+
ATOM 373 N ILE A 51 2.091 56.150 9.170 1.00 18.44 N
|
| 378 |
+
ATOM 374 CA ILE A 51 3.457 56.613 8.940 1.00 18.44 C
|
| 379 |
+
ATOM 375 C ILE A 51 3.423 57.996 8.303 1.00 19.09 C
|
| 380 |
+
ATOM 376 O ILE A 51 2.565 58.280 7.445 1.00 18.81 O
|
| 381 |
+
ATOM 377 CB ILE A 51 4.248 55.593 8.057 1.00 18.38 C
|
| 382 |
+
ATOM 378 CG1 ILE A 51 5.745 55.929 7.998 1.00 17.91 C
|
| 383 |
+
ATOM 379 CG2 ILE A 51 3.624 55.459 6.647 1.00 18.21 C
|
| 384 |
+
ATOM 380 CD1 ILE A 51 6.630 54.765 7.475 1.00 17.42 C
|
| 385 |
+
ATOM 381 N THR A 52 4.344 58.854 8.738 1.00 18.97 N
|
| 386 |
+
ATOM 382 CA THR A 52 4.490 60.176 8.161 1.00 19.64 C
|
| 387 |
+
ATOM 383 C THR A 52 5.570 60.110 7.090 1.00 20.40 C
|
| 388 |
+
ATOM 384 O THR A 52 6.323 59.133 7.034 1.00 20.74 O
|
| 389 |
+
ATOM 385 CB THR A 52 4.867 61.241 9.242 1.00 19.42 C
|
| 390 |
+
ATOM 386 OG1 THR A 52 6.184 60.981 9.738 1.00 19.12 O
|
| 391 |
+
ATOM 387 CG2 THR A 52 3.962 61.136 10.479 1.00 18.95 C
|
| 392 |
+
ATOM 388 N SER A 53 5.665 61.152 6.263 1.00 20.76 N
|
| 393 |
+
ATOM 389 CA SER A 53 6.664 61.194 5.193 1.00 21.85 C
|
| 394 |
+
ATOM 390 C SER A 53 8.093 61.011 5.705 1.00 22.12 C
|
| 395 |
+
ATOM 391 O SER A 53 8.931 60.424 5.016 1.00 22.71 O
|
| 396 |
+
ATOM 392 CB SER A 53 6.570 62.509 4.413 1.00 21.89 C
|
| 397 |
+
ATOM 393 OG SER A 53 6.823 63.616 5.259 1.00 22.71 O
|
| 398 |
+
ATOM 394 N GLY A 54 8.364 61.529 6.902 1.00 22.29 N
|
| 399 |
+
ATOM 395 CA GLY A 54 9.677 61.431 7.516 1.00 22.57 C
|
| 400 |
+
ATOM 396 C GLY A 54 9.943 60.094 8.193 1.00 22.87 C
|
| 401 |
+
ATOM 397 O GLY A 54 11.077 59.824 8.567 1.00 23.49 O
|
| 402 |
+
ATOM 398 N GLY A 55 8.907 59.268 8.371 1.00 22.76 N
|
| 403 |
+
ATOM 399 CA GLY A 55 9.080 57.932 8.930 1.00 22.01 C
|
| 404 |
+
ATOM 400 C GLY A 55 8.598 57.705 10.359 1.00 21.84 C
|
| 405 |
+
ATOM 401 O GLY A 55 8.874 56.652 10.919 1.00 21.76 O
|
| 406 |
+
ATOM 402 N SER A 56 7.888 58.668 10.955 1.00 21.30 N
|
| 407 |
+
ATOM 403 CA SER A 56 7.320 58.473 12.300 1.00 21.04 C
|
| 408 |
+
ATOM 404 C SER A 56 6.131 57.525 12.213 1.00 20.34 C
|
| 409 |
+
ATOM 405 O SER A 56 5.277 57.680 11.342 1.00 20.35 O
|
| 410 |
+
ATOM 406 CB SER A 56 6.873 59.800 12.922 1.00 20.86 C
|
| 411 |
+
ATOM 407 OG SER A 56 7.973 60.673 13.069 1.00 23.43 O
|
| 412 |
+
ATOM 408 N THR A 57 6.064 56.554 13.119 1.00 19.70 N
|
| 413 |
+
ATOM 409 CA THR A 57 5.026 55.526 13.036 1.00 19.05 C
|
| 414 |
+
ATOM 410 C THR A 57 4.221 55.426 14.315 1.00 18.53 C
|
| 415 |
+
ATOM 411 O THR A 57 4.667 55.857 15.377 1.00 17.77 O
|
| 416 |
+
ATOM 412 CB THR A 57 5.635 54.134 12.748 1.00 18.82 C
|
| 417 |
+
ATOM 413 OG1 THR A 57 6.637 53.846 13.739 1.00 19.71 O
|
| 418 |
+
ATOM 414 CG2 THR A 57 6.395 54.113 11.422 1.00 18.38 C
|
| 419 |
+
ATOM 415 N LYS A 58 3.047 54.809 14.194 1.00 18.01 N
|
| 420 |
+
ATOM 416 CA LYS A 58 2.226 54.473 15.337 1.00 17.61 C
|
| 421 |
+
ATOM 417 C LYS A 58 1.385 53.249 15.050 1.00 17.41 C
|
| 422 |
+
ATOM 418 O LYS A 58 1.063 52.955 13.890 1.00 17.43 O
|
| 423 |
+
ATOM 419 CB LYS A 58 1.341 55.653 15.773 1.00 17.38 C
|
| 424 |
+
ATOM 420 CG LYS A 58 0.307 56.154 14.755 1.00 17.52 C
|
| 425 |
+
ATOM 421 CD LYS A 58 -0.121 57.567 15.204 1.00 18.60 C
|
| 426 |
+
ATOM 422 CE LYS A 58 -1.276 58.124 14.423 1.00 20.58 C
|
| 427 |
+
ATOM 423 NZ LYS A 58 -1.519 59.538 14.853 1.00 18.91 N
|
| 428 |
+
ATOM 424 N TYR A 59 1.012 52.560 16.120 1.00 16.96 N
|
| 429 |
+
ATOM 425 CA TYR A 59 0.340 51.275 16.026 1.00 16.92 C
|
| 430 |
+
ATOM 426 C TYR A 59 -0.733 51.157 17.077 1.00 16.60 C
|
| 431 |
+
ATOM 427 O TYR A 59 -0.593 51.680 18.177 1.00 16.60 O
|
| 432 |
+
ATOM 428 CB TYR A 59 1.353 50.148 16.259 1.00 16.83 C
|
| 433 |
+
ATOM 429 CG TYR A 59 2.472 50.123 15.252 1.00 17.63 C
|
| 434 |
+
ATOM 430 CD1 TYR A 59 2.321 49.445 14.033 1.00 16.89 C
|
| 435 |
+
ATOM 431 CD2 TYR A 59 3.677 50.801 15.497 1.00 16.08 C
|
| 436 |
+
ATOM 432 CE1 TYR A 59 3.351 49.417 13.093 1.00 17.30 C
|
| 437 |
+
ATOM 433 CE2 TYR A 59 4.709 50.783 14.563 1.00 17.55 C
|
| 438 |
+
ATOM 434 CZ TYR A 59 4.540 50.084 13.361 1.00 17.42 C
|
| 439 |
+
ATOM 435 OH TYR A 59 5.555 50.057 12.427 1.00 17.75 O
|
| 440 |
+
ATOM 436 N ALA A 60 -1.797 50.442 16.740 1.00 16.33 N
|
| 441 |
+
ATOM 437 CA ALA A 60 -2.766 50.026 17.727 1.00 15.62 C
|
| 442 |
+
ATOM 438 C ALA A 60 -2.088 48.977 18.590 1.00 15.60 C
|
| 443 |
+
ATOM 439 O ALA A 60 -1.294 48.161 18.074 1.00 15.78 O
|
| 444 |
+
ATOM 440 CB ALA A 60 -4.004 49.442 17.039 1.00 15.72 C
|
| 445 |
+
ATOM 441 N ASP A 61 -2.414 48.987 19.885 1.00 14.96 N
|
| 446 |
+
ATOM 442 CA ASP A 61 -1.878 48.027 20.856 1.00 14.78 C
|
| 447 |
+
ATOM 443 C ASP A 61 -2.058 46.578 20.426 1.00 14.65 C
|
| 448 |
+
ATOM 444 O ASP A 61 -1.214 45.730 20.730 1.00 13.51 O
|
| 449 |
+
ATOM 445 CB ASP A 61 -2.557 48.208 22.218 1.00 14.90 C
|
| 450 |
+
ATOM 446 CG ASP A 61 -2.166 49.497 22.896 1.00 15.84 C
|
| 451 |
+
ATOM 447 OD1 ASP A 61 -0.957 49.821 22.936 1.00 16.40 O
|
| 452 |
+
ATOM 448 OD2 ASP A 61 -3.004 50.244 23.436 1.00 17.11 O
|
| 453 |
+
ATOM 449 N SER A 62 -3.161 46.303 19.723 1.00 14.70 N
|
| 454 |
+
ATOM 450 CA SER A 62 -3.524 44.933 19.337 1.00 15.16 C
|
| 455 |
+
ATOM 451 C SER A 62 -2.544 44.320 18.333 1.00 14.75 C
|
| 456 |
+
ATOM 452 O SER A 62 -2.456 43.108 18.213 1.00 14.72 O
|
| 457 |
+
ATOM 453 CB SER A 62 -4.954 44.893 18.766 1.00 15.35 C
|
| 458 |
+
ATOM 454 OG SER A 62 -5.050 45.751 17.637 1.00 16.15 O
|
| 459 |
+
ATOM 455 N VAL A 63 -1.824 45.165 17.604 1.00 15.00 N
|
| 460 |
+
ATOM 456 CA VAL A 63 -0.876 44.688 16.598 1.00 14.85 C
|
| 461 |
+
ATOM 457 C VAL A 63 0.573 45.116 16.854 1.00 15.10 C
|
| 462 |
+
ATOM 458 O VAL A 63 1.486 44.631 16.182 1.00 15.29 O
|
| 463 |
+
ATOM 459 CB VAL A 63 -1.273 45.147 15.171 1.00 15.04 C
|
| 464 |
+
ATOM 460 CG1 VAL A 63 -2.704 44.711 14.822 1.00 14.04 C
|
| 465 |
+
ATOM 461 CG2 VAL A 63 -1.078 46.660 15.000 1.00 14.03 C
|
| 466 |
+
ATOM 462 N LYS A 64 0.778 46.036 17.792 1.00 14.90 N
|
| 467 |
+
ATOM 463 CA LYS A 64 2.106 46.564 18.061 1.00 15.22 C
|
| 468 |
+
ATOM 464 C LYS A 64 3.072 45.448 18.479 1.00 15.41 C
|
| 469 |
+
ATOM 465 O LYS A 64 2.712 44.566 19.271 1.00 15.04 O
|
| 470 |
+
ATOM 466 CB LYS A 64 2.059 47.660 19.125 1.00 15.69 C
|
| 471 |
+
ATOM 467 CG LYS A 64 3.387 48.407 19.277 1.00 15.12 C
|
| 472 |
+
ATOM 468 CD LYS A 64 3.185 49.775 19.840 1.00 18.31 C
|
| 473 |
+
ATOM 469 CE LYS A 64 4.524 50.474 19.963 1.00 18.89 C
|
| 474 |
+
ATOM 470 NZ LYS A 64 4.377 51.936 19.869 1.00 22.10 N
|
| 475 |
+
ATOM 471 N GLY A 65 4.284 45.492 17.922 1.00 15.39 N
|
| 476 |
+
ATOM 472 CA GLY A 65 5.269 44.440 18.115 1.00 15.89 C
|
| 477 |
+
ATOM 473 C GLY A 65 5.132 43.302 17.100 1.00 16.62 C
|
| 478 |
+
ATOM 474 O GLY A 65 6.069 42.550 16.893 1.00 16.67 O
|
| 479 |
+
ATOM 475 N ARG A 66 3.977 43.179 16.453 1.00 16.77 N
|
| 480 |
+
ATOM 476 CA ARG A 66 3.759 42.118 15.467 1.00 17.04 C
|
| 481 |
+
ATOM 477 C ARG A 66 3.728 42.649 14.026 1.00 17.51 C
|
| 482 |
+
ATOM 478 O ARG A 66 4.163 41.956 13.096 1.00 17.52 O
|
| 483 |
+
ATOM 479 CB ARG A 66 2.454 41.367 15.773 1.00 17.03 C
|
| 484 |
+
ATOM 480 CG ARG A 66 2.464 40.607 17.096 1.00 17.19 C
|
| 485 |
+
ATOM 481 CD ARG A 66 1.266 39.672 17.296 1.00 17.00 C
|
| 486 |
+
ATOM 482 NE ARG A 66 0.000 40.400 17.194 1.00 16.57 N
|
| 487 |
+
ATOM 483 CZ ARG A 66 -0.897 40.244 16.222 1.00 15.34 C
|
| 488 |
+
ATOM 484 NH1 ARG A 66 -2.007 40.965 16.251 1.00 14.45 N
|
| 489 |
+
ATOM 485 NH2 ARG A 66 -0.707 39.354 15.238 1.00 14.93 N
|
| 490 |
+
ATOM 486 N PHE A 67 3.200 43.868 13.849 1.00 17.56 N
|
| 491 |
+
ATOM 487 CA PHE A 67 3.046 44.503 12.535 1.00 17.62 C
|
| 492 |
+
ATOM 488 C PHE A 67 4.034 45.666 12.408 1.00 17.80 C
|
| 493 |
+
ATOM 489 O PHE A 67 4.260 46.407 13.374 1.00 17.60 O
|
| 494 |
+
ATOM 490 CB PHE A 67 1.626 45.089 12.340 1.00 17.55 C
|
| 495 |
+
ATOM 491 CG PHE A 67 0.524 44.065 12.191 1.00 17.90 C
|
| 496 |
+
ATOM 492 CD1 PHE A 67 0.726 42.728 12.490 1.00 17.17 C
|
| 497 |
+
ATOM 493 CD2 PHE A 67 -0.741 44.467 11.749 1.00 18.08 C
|
| 498 |
+
ATOM 494 CE1 PHE A 67 -0.306 41.801 12.360 1.00 17.95 C
|
| 499 |
+
ATOM 495 CE2 PHE A 67 -1.784 43.547 11.613 1.00 17.77 C
|
| 500 |
+
ATOM 496 CZ PHE A 67 -1.569 42.209 11.922 1.00 17.52 C
|
| 501 |
+
ATOM 497 N THR A 68 4.591 45.835 11.210 1.00 17.87 N
|
| 502 |
+
ATOM 498 CA THR A 68 5.472 46.959 10.902 1.00 17.90 C
|
| 503 |
+
ATOM 499 C THR A 68 5.004 47.637 9.618 1.00 17.82 C
|
| 504 |
+
ATOM 500 O THR A 68 4.829 46.988 8.583 1.00 17.54 O
|
| 505 |
+
ATOM 501 CB THR A 68 6.953 46.504 10.753 1.00 18.09 C
|
| 506 |
+
ATOM 502 OG1 THR A 68 7.350 45.745 11.902 1.00 19.08 O
|
| 507 |
+
ATOM 503 CG2 THR A 68 7.907 47.712 10.798 1.00 17.55 C
|
| 508 |
+
ATOM 504 N ILE A 69 4.796 48.946 9.704 1.00 17.87 N
|
| 509 |
+
ATOM 505 CA ILE A 69 4.516 49.765 8.536 1.00 17.86 C
|
| 510 |
+
ATOM 506 C ILE A 69 5.832 50.399 8.094 1.00 18.34 C
|
| 511 |
+
ATOM 507 O ILE A 69 6.646 50.801 8.923 1.00 18.50 O
|
| 512 |
+
ATOM 508 CB ILE A 69 3.391 50.834 8.834 1.00 17.89 C
|
| 513 |
+
ATOM 509 CG1 ILE A 69 2.894 51.500 7.536 1.00 17.39 C
|
| 514 |
+
ATOM 510 CG2 ILE A 69 3.839 51.877 9.896 1.00 17.41 C
|
| 515 |
+
ATOM 511 CD1 ILE A 69 1.649 52.387 7.709 1.00 15.10 C
|
| 516 |
+
ATOM 512 N SER A 70 6.042 50.456 6.784 1.00 18.38 N
|
| 517 |
+
ATOM 513 CA SER A 70 7.243 51.034 6.205 1.00 19.05 C
|
| 518 |
+
ATOM 514 C SER A 70 6.901 51.533 4.809 1.00 19.76 C
|
| 519 |
+
ATOM 515 O SER A 70 5.782 51.338 4.333 1.00 19.61 O
|
| 520 |
+
ATOM 516 CB SER A 70 8.380 49.998 6.140 1.00 18.51 C
|
| 521 |
+
ATOM 517 OG SER A 70 7.938 48.834 5.478 1.00 19.07 O
|
| 522 |
+
ATOM 518 N LYS A 71 7.865 52.176 4.155 1.00 20.61 N
|
| 523 |
+
ATOM 519 CA LYS A 71 7.630 52.764 2.837 1.00 21.65 C
|
| 524 |
+
ATOM 520 C LYS A 71 8.854 52.624 1.941 1.00 22.43 C
|
| 525 |
+
ATOM 521 O LYS A 71 9.993 52.526 2.420 1.00 22.61 O
|
| 526 |
+
ATOM 522 CB LYS A 71 7.229 54.239 2.965 1.00 21.52 C
|
| 527 |
+
ATOM 523 CG LYS A 71 8.284 55.089 3.670 1.00 22.20 C
|
| 528 |
+
ATOM 524 CD LYS A 71 7.832 56.515 3.923 1.00 24.43 C
|
| 529 |
+
ATOM 525 CE LYS A 71 8.869 57.249 4.768 1.00 25.70 C
|
| 530 |
+
ATOM 526 NZ LYS A 71 10.197 57.354 4.081 1.00 26.21 N
|
| 531 |
+
ATOM 527 N ASP A 72 8.601 52.597 0.635 1.00 23.31 N
|
| 532 |
+
ATOM 528 CA ASP A 72 9.651 52.691 -0.366 1.00 23.78 C
|
| 533 |
+
ATOM 529 C ASP A 72 9.300 53.846 -1.288 1.00 24.28 C
|
| 534 |
+
ATOM 530 O ASP A 72 8.457 53.706 -2.179 1.00 24.51 O
|
| 535 |
+
ATOM 531 CB ASP A 72 9.786 51.389 -1.159 1.00 23.44 C
|
| 536 |
+
ATOM 532 CG ASP A 72 10.963 51.422 -2.137 1.00 23.54 C
|
| 537 |
+
ATOM 533 OD1 ASP A 72 11.524 50.349 -2.430 1.00 23.98 O
|
| 538 |
+
ATOM 534 OD2 ASP A 72 11.397 52.467 -2.664 1.00 21.89 O
|
| 539 |
+
ATOM 535 N ASN A 73 9.953 54.983 -1.062 1.00 24.74 N
|
| 540 |
+
ATOM 536 CA ASN A 73 9.681 56.209 -1.802 1.00 25.36 C
|
| 541 |
+
ATOM 537 C ASN A 73 9.847 56.040 -3.314 1.00 25.18 C
|
| 542 |
+
ATOM 538 O ASN A 73 8.998 56.489 -4.088 1.00 25.22 O
|
| 543 |
+
ATOM 539 CB ASN A 73 10.571 57.345 -1.293 1.00 25.75 C
|
| 544 |
+
ATOM 540 CG ASN A 73 9.936 58.123 -0.152 1.00 28.07 C
|
| 545 |
+
ATOM 541 OD1 ASN A 73 9.858 59.351 -0.203 1.00 31.99 O
|
| 546 |
+
ATOM 542 ND2 ASN A 73 9.492 57.419 0.887 1.00 29.15 N
|
| 547 |
+
ATOM 543 N ALA A 74 10.931 55.379 -3.716 1.00 24.54 N
|
| 548 |
+
ATOM 544 CA ALA A 74 11.221 55.137 -5.120 1.00 24.47 C
|
| 549 |
+
ATOM 545 C ALA A 74 10.122 54.325 -5.818 1.00 24.40 C
|
| 550 |
+
ATOM 546 O ALA A 74 9.905 54.475 -7.021 1.00 24.92 O
|
| 551 |
+
ATOM 547 CB ALA A 74 12.584 54.452 -5.273 1.00 24.38 C
|
| 552 |
+
ATOM 548 N LYS A 75 9.430 53.474 -5.070 1.00 23.70 N
|
| 553 |
+
ATOM 549 CA LYS A 75 8.377 52.649 -5.649 1.00 23.18 C
|
| 554 |
+
ATOM 550 C LYS A 75 6.977 53.208 -5.379 1.00 22.59 C
|
| 555 |
+
ATOM 551 O LYS A 75 5.982 52.629 -5.811 1.00 22.08 O
|
| 556 |
+
ATOM 552 CB LYS A 75 8.496 51.208 -5.146 1.00 23.44 C
|
| 557 |
+
ATOM 553 CG LYS A 75 9.732 50.467 -5.674 1.00 24.23 C
|
| 558 |
+
ATOM 554 CD LYS A 75 9.759 49.019 -5.198 1.00 25.61 C
|
| 559 |
+
ATOM 555 CE LYS A 75 11.081 48.355 -5.570 1.00 27.97 C
|
| 560 |
+
ATOM 556 NZ LYS A 75 11.157 46.956 -5.041 1.00 28.54 N
|
| 561 |
+
ATOM 557 N ASN A 76 6.909 54.341 -4.675 1.00 22.11 N
|
| 562 |
+
ATOM 558 CA ASN A 76 5.637 54.946 -4.266 1.00 21.75 C
|
| 563 |
+
ATOM 559 C ASN A 76 4.722 53.969 -3.506 1.00 21.72 C
|
| 564 |
+
ATOM 560 O ASN A 76 3.494 53.996 -3.651 1.00 21.27 O
|
| 565 |
+
ATOM 561 CB ASN A 76 4.904 55.541 -5.479 1.00 21.63 C
|
| 566 |
+
ATOM 562 CG ASN A 76 5.643 56.728 -6.091 1.00 21.82 C
|
| 567 |
+
ATOM 563 OD1 ASN A 76 6.131 57.614 -5.381 1.00 21.57 O
|
| 568 |
+
ATOM 564 ND2 ASN A 76 5.716 56.753 -7.410 1.00 20.36 N
|
| 569 |
+
ATOM 565 N THR A 77 5.321 53.091 -2.710 1.00 21.74 N
|
| 570 |
+
ATOM 566 CA THR A 77 4.523 52.097 -2.008 1.00 22.15 C
|
| 571 |
+
ATOM 567 C THR A 77 4.796 52.015 -0.503 1.00 21.74 C
|
| 572 |
+
ATOM 568 O THR A 77 5.913 52.272 -0.039 1.00 21.87 O
|
| 573 |
+
ATOM 569 CB THR A 77 4.504 50.690 -2.762 1.00 22.44 C
|
| 574 |
+
ATOM 570 OG1 THR A 77 4.435 49.597 -1.826 1.00 24.34 O
|
| 575 |
+
ATOM 571 CG2 THR A 77 5.751 50.428 -3.490 1.00 22.89 C
|
| 576 |
+
ATOM 572 N VAL A 78 3.734 51.743 0.252 1.00 21.41 N
|
| 577 |
+
ATOM 573 CA VAL A 78 3.821 51.534 1.692 1.00 21.00 C
|
| 578 |
+
ATOM 574 C VAL A 78 3.462 50.089 2.003 1.00 20.80 C
|
| 579 |
+
ATOM 575 O VAL A 78 2.652 49.476 1.297 1.00 20.60 O
|
| 580 |
+
ATOM 576 CB VAL A 78 2.937 52.525 2.507 1.00 21.30 C
|
| 581 |
+
ATOM 577 CG1 VAL A 78 3.399 53.972 2.274 1.00 20.79 C
|
| 582 |
+
ATOM 578 CG2 VAL A 78 1.480 52.381 2.156 1.00 22.63 C
|
| 583 |
+
ATOM 579 N TYR A 79 4.100 49.532 3.029 1.00 20.26 N
|
| 584 |
+
ATOM 580 CA TYR A 79 3.953 48.113 3.328 1.00 19.67 C
|
| 585 |
+
ATOM 581 C TYR A 79 3.389 47.927 4.717 1.00 19.66 C
|
| 586 |
+
ATOM 582 O TYR A 79 3.553 48.796 5.582 1.00 19.63 O
|
| 587 |
+
ATOM 583 CB TYR A 79 5.304 47.385 3.213 1.00 19.30 C
|
| 588 |
+
ATOM 584 CG TYR A 79 5.968 47.528 1.859 1.00 19.16 C
|
| 589 |
+
ATOM 585 CD1 TYR A 79 5.570 46.735 0.777 1.00 18.67 C
|
| 590 |
+
ATOM 586 CD2 TYR A 79 6.998 48.456 1.657 1.00 18.92 C
|
| 591 |
+
ATOM 587 CE1 TYR A 79 6.182 46.865 -0.483 1.00 17.76 C
|
| 592 |
+
ATOM 588 CE2 TYR A 79 7.616 48.600 0.404 1.00 18.05 C
|
| 593 |
+
ATOM 589 CZ TYR A 79 7.199 47.801 -0.661 1.00 18.62 C
|
| 594 |
+
ATOM 590 OH TYR A 79 7.795 47.938 -1.903 1.00 18.23 O
|
| 595 |
+
ATOM 591 N LEU A 80 2.710 46.800 4.913 1.00 19.27 N
|
| 596 |
+
ATOM 592 CA LEU A 80 2.353 46.322 6.235 1.00 19.13 C
|
| 597 |
+
ATOM 593 C LEU A 80 2.899 44.908 6.381 1.00 19.34 C
|
| 598 |
+
ATOM 594 O LEU A 80 2.359 43.960 5.792 1.00 19.10 O
|
| 599 |
+
ATOM 595 CB LEU A 80 0.831 46.342 6.459 1.00 19.12 C
|
| 600 |
+
ATOM 596 CG LEU A 80 0.416 46.149 7.936 1.00 18.89 C
|
| 601 |
+
ATOM 597 CD1 LEU A 80 0.934 47.289 8.822 1.00 18.03 C
|
| 602 |
+
ATOM 598 CD2 LEU A 80 -1.090 46.003 8.092 1.00 18.01 C
|
| 603 |
+
ATOM 599 N GLN A 81 3.980 44.773 7.150 1.00 19.51 N
|
| 604 |
+
ATOM 600 CA GLN A 81 4.568 43.461 7.427 1.00 20.23 C
|
| 605 |
+
ATOM 601 C GLN A 81 3.879 42.853 8.653 1.00 20.32 C
|
| 606 |
+
ATOM 602 O GLN A 81 4.011 43.362 9.766 1.00 21.00 O
|
| 607 |
+
ATOM 603 CB GLN A 81 6.092 43.580 7.624 1.00 19.98 C
|
| 608 |
+
ATOM 604 CG GLN A 81 6.816 42.261 7.885 1.00 20.51 C
|
| 609 |
+
ATOM 605 CD GLN A 81 6.649 41.248 6.756 1.00 21.79 C
|
| 610 |
+
ATOM 606 OE1 GLN A 81 6.992 41.524 5.609 1.00 22.71 O
|
| 611 |
+
ATOM 607 NE2 GLN A 81 6.126 40.077 7.084 1.00 21.67 N
|
| 612 |
+
ATOM 608 N MET A 82 3.126 41.784 8.442 1.00 20.47 N
|
| 613 |
+
ATOM 609 CA MET A 82 2.330 41.187 9.511 1.00 20.77 C
|
| 614 |
+
ATOM 610 C MET A 82 2.895 39.836 9.953 1.00 21.15 C
|
| 615 |
+
ATOM 611 O MET A 82 2.740 38.824 9.250 1.00 21.19 O
|
| 616 |
+
ATOM 612 CB MET A 82 0.874 41.025 9.070 1.00 20.56 C
|
| 617 |
+
ATOM 613 CG MET A 82 0.220 42.303 8.525 1.00 21.24 C
|
| 618 |
+
ATOM 614 SD MET A 82 -1.475 42.011 7.926 1.00 26.11 S
|
| 619 |
+
ATOM 615 CE MET A 82 -1.158 41.073 6.535 1.00 25.57 C
|
| 620 |
+
ATOM 616 N ASN A 82A 3.534 39.830 11.123 1.00 20.96 N
|
| 621 |
+
ATOM 617 CA ASN A 82A 4.117 38.622 11.698 1.00 21.27 C
|
| 622 |
+
ATOM 618 C ASN A 82A 3.222 38.033 12.789 1.00 21.40 C
|
| 623 |
+
ATOM 619 O ASN A 82A 2.314 38.707 13.279 1.00 20.97 O
|
| 624 |
+
ATOM 620 CB ASN A 82A 5.508 38.933 12.258 1.00 20.99 C
|
| 625 |
+
ATOM 621 CG ASN A 82A 6.488 39.370 11.177 1.00 21.38 C
|
| 626 |
+
ATOM 622 OD1 ASN A 82A 6.382 38.955 10.013 1.00 22.25 O
|
| 627 |
+
ATOM 623 ND2 ASN A 82A 7.433 40.223 11.550 1.00 18.70 N
|
| 628 |
+
ATOM 624 N SER A 82B 3.490 36.782 13.167 1.00 21.40 N
|
| 629 |
+
ATOM 625 CA SER A 82B 2.746 36.098 14.234 1.00 21.86 C
|
| 630 |
+
ATOM 626 C SER A 82B 1.237 36.364 14.155 1.00 21.46 C
|
| 631 |
+
ATOM 627 O SER A 82B 0.616 36.816 15.122 1.00 21.71 O
|
| 632 |
+
ATOM 628 CB SER A 82B 3.280 36.510 15.602 1.00 21.80 C
|
| 633 |
+
ATOM 629 OG SER A 82B 4.654 36.225 15.699 1.00 23.77 O
|
| 634 |
+
ATOM 630 N LEU A 82C 0.667 36.096 12.988 1.00 21.27 N
|
| 635 |
+
ATOM 631 CA LEU A 82C -0.738 36.360 12.720 1.00 21.28 C
|
| 636 |
+
ATOM 632 C LEU A 82C -1.631 35.500 13.616 1.00 21.35 C
|
| 637 |
+
ATOM 633 O LEU A 82C -1.344 34.318 13.827 1.00 20.39 O
|
| 638 |
+
ATOM 634 CB LEU A 82C -1.028 36.058 11.248 1.00 21.23 C
|
| 639 |
+
ATOM 635 CG LEU A 82C -1.231 37.161 10.188 1.00 22.47 C
|
| 640 |
+
ATOM 636 CD1 LEU A 82C -1.385 38.554 10.740 1.00 21.31 C
|
| 641 |
+
ATOM 637 CD2 LEU A 82C -0.154 37.102 9.110 1.00 22.85 C
|
| 642 |
+
ATOM 638 N LYS A 83 -2.695 36.102 14.148 1.00 21.77 N
|
| 643 |
+
ATOM 639 CA LYS A 83 -3.713 35.384 14.940 1.00 22.45 C
|
| 644 |
+
ATOM 640 C LYS A 83 -5.034 35.393 14.177 1.00 22.29 C
|
| 645 |
+
ATOM 641 O LYS A 83 -5.269 36.311 13.382 1.00 21.85 O
|
| 646 |
+
ATOM 642 CB LYS A 83 -3.972 36.057 16.301 1.00 22.71 C
|
| 647 |
+
ATOM 643 CG LYS A 83 -2.765 36.476 17.121 1.00 24.65 C
|
| 648 |
+
ATOM 644 CD LYS A 83 -3.052 37.817 17.833 1.00 27.11 C
|
| 649 |
+
ATOM 645 CE LYS A 83 -2.816 37.740 19.345 1.00 28.83 C
|
| 650 |
+
ATOM 646 NZ LYS A 83 -1.374 37.560 19.700 1.00 27.96 N
|
| 651 |
+
ATOM 647 N PRO A 84 -5.906 34.409 14.430 1.00 22.20 N
|
| 652 |
+
ATOM 648 CA PRO A 84 -7.240 34.385 13.814 1.00 22.18 C
|
| 653 |
+
ATOM 649 C PRO A 84 -7.977 35.722 13.899 1.00 22.24 C
|
| 654 |
+
ATOM 650 O PRO A 84 -8.725 36.038 12.978 1.00 22.28 O
|
| 655 |
+
ATOM 651 CB PRO A 84 -7.980 33.300 14.612 1.00 22.32 C
|
| 656 |
+
ATOM 652 CG PRO A 84 -6.888 32.354 15.034 1.00 22.34 C
|
| 657 |
+
ATOM 653 CD PRO A 84 -5.680 33.226 15.290 1.00 22.44 C
|
| 658 |
+
ATOM 654 N GLU A 85 -7.753 36.491 14.964 1.00 22.13 N
|
| 659 |
+
ATOM 655 CA GLU A 85 -8.412 37.784 15.147 1.00 22.24 C
|
| 660 |
+
ATOM 656 C GLU A 85 -7.852 38.901 14.263 1.00 21.31 C
|
| 661 |
+
ATOM 657 O GLU A 85 -8.382 40.013 14.273 1.00 21.01 O
|
| 662 |
+
ATOM 658 CB GLU A 85 -8.345 38.231 16.616 1.00 23.08 C
|
| 663 |
+
ATOM 659 CG GLU A 85 -8.557 37.115 17.615 1.00 26.62 C
|
| 664 |
+
ATOM 660 CD GLU A 85 -7.248 36.614 18.195 1.00 29.78 C
|
| 665 |
+
ATOM 661 OE1 GLU A 85 -6.935 35.412 18.005 1.00 30.06 O
|
| 666 |
+
ATOM 662 OE2 GLU A 85 -6.543 37.432 18.843 1.00 31.64 O
|
| 667 |
+
ATOM 663 N ASP A 86 -6.777 38.620 13.525 1.00 20.34 N
|
| 668 |
+
ATOM 664 CA ASP A 86 -6.273 39.566 12.517 1.00 19.23 C
|
| 669 |
+
ATOM 665 C ASP A 86 -7.040 39.440 11.186 1.00 18.67 C
|
| 670 |
+
ATOM 666 O ASP A 86 -6.834 40.235 10.267 1.00 18.63 O
|
| 671 |
+
ATOM 667 CB ASP A 86 -4.773 39.374 12.263 1.00 18.92 C
|
| 672 |
+
ATOM 668 CG ASP A 86 -3.922 39.587 13.507 1.00 18.49 C
|
| 673 |
+
ATOM 669 OD1 ASP A 86 -4.160 40.552 14.270 1.00 17.89 O
|
| 674 |
+
ATOM 670 OD2 ASP A 86 -2.974 38.832 13.788 1.00 18.04 O
|
| 675 |
+
ATOM 671 N THR A 87 -7.905 38.433 11.084 1.00 17.68 N
|
| 676 |
+
ATOM 672 CA THR A 87 -8.741 38.238 9.900 1.00 17.21 C
|
| 677 |
+
ATOM 673 C THR A 87 -9.595 39.484 9.662 1.00 17.14 C
|
| 678 |
+
ATOM 674 O THR A 87 -10.354 39.887 10.531 1.00 16.95 O
|
| 679 |
+
ATOM 675 CB THR A 87 -9.642 36.977 10.083 1.00 17.29 C
|
| 680 |
+
ATOM 676 OG1 THR A 87 -8.826 35.794 10.054 1.00 16.08 O
|
| 681 |
+
ATOM 677 CG2 THR A 87 -10.619 36.812 8.905 1.00 16.63 C
|
| 682 |
+
ATOM 678 N ALA A 88 -9.461 40.093 8.488 1.00 17.08 N
|
| 683 |
+
ATOM 679 CA ALA A 88 -10.142 41.349 8.190 1.00 17.35 C
|
| 684 |
+
ATOM 680 C ALA A 88 -9.907 41.753 6.749 1.00 17.34 C
|
| 685 |
+
ATOM 681 O ALA A 88 -9.023 41.217 6.080 1.00 17.47 O
|
| 686 |
+
ATOM 682 CB ALA A 88 -9.626 42.480 9.123 1.00 16.87 C
|
| 687 |
+
ATOM 683 N VAL A 89 -10.688 42.718 6.285 1.00 17.07 N
|
| 688 |
+
ATOM 684 CA VAL A 89 -10.327 43.460 5.091 1.00 17.20 C
|
| 689 |
+
ATOM 685 C VAL A 89 -9.403 44.599 5.537 1.00 17.39 C
|
| 690 |
+
ATOM 686 O VAL A 89 -9.769 45.383 6.404 1.00 16.98 O
|
| 691 |
+
ATOM 687 CB VAL A 89 -11.577 44.023 4.366 1.00 17.18 C
|
| 692 |
+
ATOM 688 CG1 VAL A 89 -11.170 44.773 3.104 1.00 17.38 C
|
| 693 |
+
ATOM 689 CG2 VAL A 89 -12.577 42.888 4.034 1.00 16.40 C
|
| 694 |
+
ATOM 690 N TYR A 90 -8.200 44.652 4.963 1.00 17.67 N
|
| 695 |
+
ATOM 691 CA TYR A 90 -7.230 45.710 5.228 1.00 17.91 C
|
| 696 |
+
ATOM 692 C TYR A 90 -7.291 46.767 4.134 1.00 18.21 C
|
| 697 |
+
ATOM 693 O TYR A 90 -7.309 46.439 2.936 1.00 18.29 O
|
| 698 |
+
ATOM 694 CB TYR A 90 -5.808 45.135 5.366 1.00 17.60 C
|
| 699 |
+
ATOM 695 CG TYR A 90 -5.622 44.356 6.668 1.00 18.58 C
|
| 700 |
+
ATOM 696 CD1 TYR A 90 -6.288 43.144 6.877 1.00 17.53 C
|
| 701 |
+
ATOM 697 CD2 TYR A 90 -4.819 44.853 7.699 1.00 18.15 C
|
| 702 |
+
ATOM 698 CE1 TYR A 90 -6.157 42.444 8.064 1.00 18.65 C
|
| 703 |
+
ATOM 699 CE2 TYR A 90 -4.680 44.157 8.901 1.00 19.93 C
|
| 704 |
+
ATOM 700 CZ TYR A 90 -5.356 42.946 9.078 1.00 19.59 C
|
| 705 |
+
ATOM 701 OH TYR A 90 -5.220 42.230 10.254 1.00 19.65 O
|
| 706 |
+
ATOM 702 N TYR A 91 -7.331 48.028 4.564 1.00 17.97 N
|
| 707 |
+
ATOM 703 CA TYR A 91 -7.445 49.176 3.674 1.00 18.25 C
|
| 708 |
+
ATOM 704 C TYR A 91 -6.261 50.102 3.808 1.00 18.51 C
|
| 709 |
+
ATOM 705 O TYR A 91 -5.867 50.471 4.920 1.00 19.11 O
|
| 710 |
+
ATOM 706 CB TYR A 91 -8.701 49.991 3.987 1.00 17.87 C
|
| 711 |
+
ATOM 707 CG TYR A 91 -10.009 49.273 3.754 1.00 19.33 C
|
| 712 |
+
ATOM 708 CD1 TYR A 91 -10.596 48.508 4.760 1.00 19.93 C
|
| 713 |
+
ATOM 709 CD2 TYR A 91 -10.678 49.388 2.536 1.00 19.71 C
|
| 714 |
+
ATOM 710 CE1 TYR A 91 -11.812 47.859 4.548 1.00 20.92 C
|
| 715 |
+
ATOM 711 CE2 TYR A 91 -11.892 48.751 2.314 1.00 21.32 C
|
| 716 |
+
ATOM 712 CZ TYR A 91 -12.452 47.990 3.323 1.00 21.83 C
|
| 717 |
+
ATOM 713 OH TYR A 91 -13.650 47.357 3.100 1.00 23.36 O
|
| 718 |
+
ATOM 714 N CYS A 92 -5.707 50.495 2.665 1.00 18.77 N
|
| 719 |
+
ATOM 715 CA CYS A 92 -4.673 51.520 2.614 1.00 19.33 C
|
| 720 |
+
ATOM 716 C CYS A 92 -5.350 52.890 2.592 1.00 18.48 C
|
| 721 |
+
ATOM 717 O CYS A 92 -6.417 53.039 2.018 1.00 18.46 O
|
| 722 |
+
ATOM 718 CB CYS A 92 -3.828 51.327 1.355 1.00 19.46 C
|
| 723 |
+
ATOM 719 SG CYS A 92 -2.482 52.509 1.142 1.00 24.18 S
|
| 724 |
+
ATOM 720 N ALA A 93 -4.735 53.880 3.232 1.00 17.61 N
|
| 725 |
+
ATOM 721 CA ALA A 93 -5.311 55.219 3.303 1.00 16.74 C
|
| 726 |
+
ATOM 722 C ALA A 93 -4.202 56.264 3.149 1.00 16.14 C
|
| 727 |
+
ATOM 723 O ALA A 93 -3.057 56.015 3.493 1.00 15.94 O
|
| 728 |
+
ATOM 724 CB ALA A 93 -6.048 55.410 4.620 1.00 16.36 C
|
| 729 |
+
ATOM 725 N ALA A 94 -4.543 57.421 2.610 1.00 15.90 N
|
| 730 |
+
ATOM 726 CA ALA A 94 -3.567 58.497 2.455 1.00 16.19 C
|
| 731 |
+
ATOM 727 C ALA A 94 -4.219 59.808 2.797 1.00 16.02 C
|
| 732 |
+
ATOM 728 O ALA A 94 -5.355 60.067 2.383 1.00 16.72 O
|
| 733 |
+
ATOM 729 CB ALA A 94 -3.015 58.543 1.026 1.00 15.57 C
|
| 734 |
+
ATOM 730 N GLU A 95 -3.491 60.633 3.541 1.00 15.81 N
|
| 735 |
+
ATOM 731 CA GLU A 95 -3.913 61.995 3.860 1.00 15.28 C
|
| 736 |
+
ATOM 732 C GLU A 95 -3.465 62.913 2.727 1.00 15.59 C
|
| 737 |
+
ATOM 733 O GLU A 95 -2.347 62.785 2.218 1.00 15.61 O
|
| 738 |
+
ATOM 734 CB GLU A 95 -3.269 62.420 5.188 1.00 15.43 C
|
| 739 |
+
ATOM 735 CG GLU A 95 -3.582 63.831 5.699 1.00 14.44 C
|
| 740 |
+
ATOM 736 CD GLU A 95 -2.666 64.240 6.848 1.00 14.62 C
|
| 741 |
+
ATOM 737 OE1 GLU A 95 -1.472 63.908 6.809 1.00 14.79 O
|
| 742 |
+
ATOM 738 OE2 GLU A 95 -3.134 64.880 7.814 1.00 16.55 O
|
| 743 |
+
ATOM 739 N ASP A 96 -4.332 63.838 2.330 1.00 15.27 N
|
| 744 |
+
ATOM 740 CA ASP A 96 -3.944 64.872 1.378 1.00 15.06 C
|
| 745 |
+
ATOM 741 C ASP A 96 -3.381 66.057 2.153 1.00 15.04 C
|
| 746 |
+
ATOM 742 O ASP A 96 -3.994 66.511 3.134 1.00 14.45 O
|
| 747 |
+
ATOM 743 CB ASP A 96 -5.141 65.311 0.518 1.00 14.89 C
|
| 748 |
+
ATOM 744 CG ASP A 96 -4.721 66.133 -0.692 1.00 15.75 C
|
| 749 |
+
ATOM 745 OD1 ASP A 96 -4.306 67.291 -0.522 1.00 15.63 O
|
| 750 |
+
ATOM 746 OD2 ASP A 96 -4.777 65.713 -1.859 1.00 17.06 O
|
| 751 |
+
ATOM 747 N ARG A 97 -2.231 66.565 1.700 1.00 14.61 N
|
| 752 |
+
ATOM 748 CA ARG A 97 -1.517 67.624 2.406 1.00 14.65 C
|
| 753 |
+
ATOM 749 C ARG A 97 -2.333 68.905 2.494 1.00 14.86 C
|
| 754 |
+
ATOM 750 O ARG A 97 -2.096 69.741 3.367 1.00 14.42 O
|
| 755 |
+
ATOM 751 CB ARG A 97 -0.162 67.915 1.741 1.00 14.88 C
|
| 756 |
+
ATOM 752 CG ARG A 97 -0.251 68.605 0.356 1.00 14.79 C
|
| 757 |
+
ATOM 753 CD ARG A 97 1.047 68.571 -0.432 1.00 15.12 C
|
| 758 |
+
ATOM 754 NE ARG A 97 2.038 69.524 0.082 1.00 17.27 N
|
| 759 |
+
ATOM 755 CZ ARG A 97 3.318 69.567 -0.308 1.00 17.20 C
|
| 760 |
+
ATOM 756 NH1 ARG A 97 3.781 68.715 -1.220 1.00 15.86 N
|
| 761 |
+
ATOM 757 NH2 ARG A 97 4.135 70.469 0.208 1.00 16.43 N
|
| 762 |
+
ATOM 758 N HIS A 98 -3.296 69.047 1.588 1.00 14.90 N
|
| 763 |
+
ATOM 759 CA HIS A 98 -4.110 70.249 1.515 1.00 15.25 C
|
| 764 |
+
ATOM 760 C HIS A 98 -5.376 70.154 2.380 1.00 15.88 C
|
| 765 |
+
ATOM 761 O HIS A 98 -6.180 71.093 2.441 1.00 15.72 O
|
| 766 |
+
ATOM 762 CB HIS A 98 -4.429 70.552 0.054 1.00 14.84 C
|
| 767 |
+
ATOM 763 CG HIS A 98 -3.211 70.816 -0.778 1.00 14.46 C
|
| 768 |
+
ATOM 764 ND1 HIS A 98 -2.334 71.844 -0.509 1.00 15.24 N
|
| 769 |
+
ATOM 765 CD2 HIS A 98 -2.711 70.172 -1.860 1.00 14.84 C
|
| 770 |
+
ATOM 766 CE1 HIS A 98 -1.356 71.836 -1.399 1.00 15.06 C
|
| 771 |
+
ATOM 767 NE2 HIS A 98 -1.561 70.831 -2.230 1.00 14.06 N
|
| 772 |
+
ATOM 768 N ARG A 99 -5.528 69.014 3.049 1.00 16.34 N
|
| 773 |
+
ATOM 769 CA ARG A 99 -6.652 68.758 3.944 1.00 17.59 C
|
| 774 |
+
ATOM 770 C ARG A 99 -6.175 67.828 5.057 1.00 17.07 C
|
| 775 |
+
ATOM 771 O ARG A 99 -6.535 66.637 5.095 1.00 17.06 O
|
| 776 |
+
ATOM 772 CB ARG A 99 -7.810 68.108 3.175 1.00 17.96 C
|
| 777 |
+
ATOM 773 CG ARG A 99 -8.900 69.080 2.726 1.00 23.02 C
|
| 778 |
+
ATOM 774 CD ARG A 99 -9.293 69.005 1.233 1.00 30.79 C
|
| 779 |
+
ATOM 775 NE ARG A 99 -9.103 67.676 0.634 1.00 34.68 N
|
| 780 |
+
ATOM 776 CZ ARG A 99 -9.178 67.410 -0.673 1.00 37.02 C
|
| 781 |
+
ATOM 777 NH1 ARG A 99 -9.454 68.383 -1.542 1.00 37.70 N
|
| 782 |
+
ATOM 778 NH2 ARG A 99 -8.980 66.165 -1.112 1.00 37.26 N
|
| 783 |
+
ATOM 779 N ILE A 100 -5.347 68.357 5.951 1.00 16.47 N
|
| 784 |
+
ATOM 780 CA ILE A 100 -4.729 67.512 6.971 1.00 16.65 C
|
| 785 |
+
ATOM 781 C ILE A 100 -5.744 67.070 8.040 1.00 16.67 C
|
| 786 |
+
ATOM 782 O ILE A 100 -6.741 67.748 8.275 1.00 16.12 O
|
| 787 |
+
ATOM 783 CB ILE A 100 -3.475 68.192 7.605 1.00 16.63 C
|
| 788 |
+
ATOM 784 CG1 ILE A 100 -3.839 69.511 8.324 1.00 16.35 C
|
| 789 |
+
ATOM 785 CG2 ILE A 100 -2.395 68.411 6.538 1.00 16.26 C
|
| 790 |
+
ATOM 786 CD1 ILE A 100 -2.822 69.935 9.382 1.00 15.91 C
|
| 791 |
+
ATOM 787 N GLY A 100A -5.473 65.930 8.664 1.00 16.94 N
|
| 792 |
+
ATOM 788 CA GLY A 100A -6.285 65.425 9.754 1.00 17.90 C
|
| 793 |
+
ATOM 789 C GLY A 100A -7.405 64.488 9.338 1.00 18.77 C
|
| 794 |
+
ATOM 790 O GLY A 100A -8.057 63.929 10.206 1.00 19.08 O
|
| 795 |
+
ATOM 791 N THR A 100B -7.658 64.343 8.032 1.00 19.01 N
|
| 796 |
+
ATOM 792 CA THR A 100B -8.630 63.370 7.538 1.00 19.98 C
|
| 797 |
+
ATOM 793 C THR A 100B -8.025 62.519 6.429 1.00 19.50 C
|
| 798 |
+
ATOM 794 O THR A 100B -7.013 62.891 5.818 1.00 19.36 O
|
| 799 |
+
ATOM 795 CB THR A 100B -9.963 64.038 7.049 1.00 20.57 C
|
| 800 |
+
ATOM 796 OG1 THR A 100B -9.723 64.834 5.878 1.00 22.50 O
|
| 801 |
+
ATOM 797 CG2 THR A 100B -10.480 65.068 8.051 1.00 22.72 C
|
| 802 |
+
ATOM 798 N VAL A 100C -8.643 61.370 6.174 1.00 18.95 N
|
| 803 |
+
ATOM 799 CA VAL A 100C -8.280 60.552 5.026 1.00 18.50 C
|
| 804 |
+
ATOM 800 C VAL A 100C -8.742 61.228 3.733 1.00 18.51 C
|
| 805 |
+
ATOM 801 O VAL A 100C -9.911 61.579 3.586 1.00 18.74 O
|
| 806 |
+
ATOM 802 CB VAL A 100C -8.861 59.120 5.146 1.00 19.24 C
|
| 807 |
+
ATOM 803 CG1 VAL A 100C -8.572 58.299 3.887 1.00 17.69 C
|
| 808 |
+
ATOM 804 CG2 VAL A 100C -8.290 58.421 6.391 1.00 18.62 C
|
| 809 |
+
ATOM 805 N GLY A 101 -7.814 61.439 2.805 1.00 18.03 N
|
| 810 |
+
ATOM 806 CA GLY A 101 -8.173 61.966 1.501 1.00 17.67 C
|
| 811 |
+
ATOM 807 C GLY A 101 -8.465 60.874 0.484 1.00 17.70 C
|
| 812 |
+
ATOM 808 O GLY A 101 -9.338 61.034 -0.378 1.00 17.87 O
|
| 813 |
+
ATOM 809 N TYR A 102 -7.736 59.764 0.579 1.00 17.55 N
|
| 814 |
+
ATOM 810 CA TYR A 102 -7.818 58.690 -0.420 1.00 17.69 C
|
| 815 |
+
ATOM 811 C TYR A 102 -7.804 57.317 0.238 1.00 17.89 C
|
| 816 |
+
ATOM 812 O TYR A 102 -7.055 57.096 1.188 1.00 17.66 O
|
| 817 |
+
ATOM 813 CB TYR A 102 -6.669 58.811 -1.434 1.00 17.17 C
|
| 818 |
+
ATOM 814 CG TYR A 102 -6.493 60.225 -1.971 1.00 16.80 C
|
| 819 |
+
ATOM 815 CD1 TYR A 102 -5.527 61.078 -1.433 1.00 14.84 C
|
| 820 |
+
ATOM 816 CD2 TYR A 102 -7.305 60.710 -3.007 1.00 16.26 C
|
| 821 |
+
ATOM 817 CE1 TYR A 102 -5.365 62.384 -1.908 1.00 15.25 C
|
| 822 |
+
ATOM 818 CE2 TYR A 102 -7.154 62.023 -3.492 1.00 15.76 C
|
| 823 |
+
ATOM 819 CZ TYR A 102 -6.178 62.849 -2.934 1.00 15.39 C
|
| 824 |
+
ATOM 820 OH TYR A 102 -6.006 64.132 -3.394 1.00 13.81 O
|
| 825 |
+
ATOM 821 N TRP A 103 -8.641 56.412 -0.279 1.00 18.35 N
|
| 826 |
+
ATOM 822 CA TRP A 103 -8.739 55.025 0.191 1.00 18.75 C
|
| 827 |
+
ATOM 823 C TRP A 103 -8.424 54.034 -0.932 1.00 19.05 C
|
| 828 |
+
ATOM 824 O TRP A 103 -8.779 54.270 -2.097 1.00 18.63 O
|
| 829 |
+
ATOM 825 CB TRP A 103 -10.170 54.724 0.650 1.00 18.76 C
|
| 830 |
+
ATOM 826 CG TRP A 103 -10.582 55.341 1.939 1.00 19.72 C
|
| 831 |
+
ATOM 827 CD1 TRP A 103 -11.384 56.441 2.104 1.00 20.22 C
|
| 832 |
+
ATOM 828 CD2 TRP A 103 -10.256 54.878 3.264 1.00 19.83 C
|
| 833 |
+
ATOM 829 NE1 TRP A 103 -11.567 56.691 3.443 1.00 22.15 N
|
| 834 |
+
ATOM 830 CE2 TRP A 103 -10.884 55.752 4.179 1.00 20.42 C
|
| 835 |
+
ATOM 831 CE3 TRP A 103 -9.495 53.808 3.769 1.00 19.28 C
|
| 836 |
+
ATOM 832 CZ2 TRP A 103 -10.777 55.594 5.572 1.00 20.56 C
|
| 837 |
+
ATOM 833 CZ3 TRP A 103 -9.380 53.651 5.157 1.00 18.90 C
|
| 838 |
+
ATOM 834 CH2 TRP A 103 -10.025 54.537 6.041 1.00 19.51 C
|
| 839 |
+
ATOM 835 N GLY A 104 -7.787 52.917 -0.582 1.00 19.11 N
|
| 840 |
+
ATOM 836 CA GLY A 104 -7.718 51.771 -1.482 1.00 19.89 C
|
| 841 |
+
ATOM 837 C GLY A 104 -9.013 50.974 -1.439 1.00 20.47 C
|
| 842 |
+
ATOM 838 O GLY A 104 -9.924 51.313 -0.678 1.00 20.78 O
|
| 843 |
+
ATOM 839 N GLN A 105 -9.107 49.917 -2.244 1.00 20.83 N
|
| 844 |
+
ATOM 840 CA GLN A 105 -10.330 49.116 -2.318 1.00 21.83 C
|
| 845 |
+
ATOM 841 C GLN A 105 -10.388 48.029 -1.249 1.00 20.93 C
|
| 846 |
+
ATOM 842 O GLN A 105 -11.431 47.417 -1.041 1.00 21.00 O
|
| 847 |
+
ATOM 843 CB GLN A 105 -10.533 48.475 -3.709 1.00 22.85 C
|
| 848 |
+
ATOM 844 CG GLN A 105 -9.298 48.418 -4.613 1.00 27.16 C
|
| 849 |
+
ATOM 845 CD GLN A 105 -8.754 49.818 -4.973 1.00 31.58 C
|
| 850 |
+
ATOM 846 OE1 GLN A 105 -9.510 50.712 -5.377 1.00 35.36 O
|
| 851 |
+
ATOM 847 NE2 GLN A 105 -7.450 50.002 -4.809 1.00 31.75 N
|
| 852 |
+
ATOM 848 N GLY A 106 -9.266 47.778 -0.590 1.00 20.14 N
|
| 853 |
+
ATOM 849 CA GLY A 106 -9.238 46.796 0.475 1.00 19.62 C
|
| 854 |
+
ATOM 850 C GLY A 106 -8.707 45.459 0.007 1.00 19.43 C
|
| 855 |
+
ATOM 851 O GLY A 106 -8.895 45.069 -1.149 1.00 18.85 O
|
| 856 |
+
ATOM 852 N THR A 107 -8.019 44.765 0.909 1.00 18.97 N
|
| 857 |
+
ATOM 853 CA THR A 107 -7.493 43.448 0.609 1.00 18.68 C
|
| 858 |
+
ATOM 854 C THR A 107 -7.782 42.487 1.762 1.00 17.96 C
|
| 859 |
+
ATOM 855 O THR A 107 -7.569 42.811 2.939 1.00 17.36 O
|
| 860 |
+
ATOM 856 CB THR A 107 -5.980 43.510 0.237 1.00 18.99 C
|
| 861 |
+
ATOM 857 OG1 THR A 107 -5.505 42.182 -0.031 1.00 20.62 O
|
| 862 |
+
ATOM 858 CG2 THR A 107 -5.126 43.920 1.426 1.00 18.98 C
|
| 863 |
+
ATOM 859 N GLN A 108 -8.283 41.305 1.407 1.00 17.47 N
|
| 864 |
+
ATOM 860 CA GLN A 108 -8.681 40.302 2.381 1.00 16.79 C
|
| 865 |
+
ATOM 861 C GLN A 108 -7.489 39.536 2.957 1.00 16.66 C
|
| 866 |
+
ATOM 862 O GLN A 108 -6.676 38.983 2.221 1.00 16.27 O
|
| 867 |
+
ATOM 863 CB GLN A 108 -9.686 39.320 1.753 1.00 17.05 C
|
| 868 |
+
ATOM 864 CG GLN A 108 -10.069 38.123 2.648 1.00 17.41 C
|
| 869 |
+
ATOM 865 CD GLN A 108 -10.849 38.520 3.917 1.00 19.74 C
|
| 870 |
+
ATOM 866 OE1 GLN A 108 -10.710 37.879 4.974 1.00 21.60 O
|
| 871 |
+
ATOM 867 NE2 GLN A 108 -11.673 39.547 3.808 1.00 17.54 N
|
| 872 |
+
ATOM 868 N VAL A 109 -7.411 39.494 4.283 1.00 16.78 N
|
| 873 |
+
ATOM 869 CA VAL A 109 -6.432 38.666 4.985 1.00 16.75 C
|
| 874 |
+
ATOM 870 C VAL A 109 -7.209 37.665 5.831 1.00 16.93 C
|
| 875 |
+
ATOM 871 O VAL A 109 -8.005 38.063 6.686 1.00 17.12 O
|
| 876 |
+
ATOM 872 CB VAL A 109 -5.503 39.515 5.865 1.00 17.10 C
|
| 877 |
+
ATOM 873 CG1 VAL A 109 -4.620 38.635 6.771 1.00 17.39 C
|
| 878 |
+
ATOM 874 CG2 VAL A 109 -4.646 40.446 4.994 1.00 16.61 C
|
| 879 |
+
ATOM 875 N THR A 110 -7.016 36.374 5.558 1.00 16.36 N
|
| 880 |
+
ATOM 876 CA THR A 110 -7.673 35.322 6.323 1.00 16.60 C
|
| 881 |
+
ATOM 877 C THR A 110 -6.626 34.501 7.070 1.00 17.27 C
|
| 882 |
+
ATOM 878 O THR A 110 -5.737 33.919 6.458 1.00 17.49 O
|
| 883 |
+
ATOM 879 CB THR A 110 -8.506 34.416 5.383 1.00 16.16 C
|
| 884 |
+
ATOM 880 OG1 THR A 110 -9.530 35.194 4.757 1.00 15.73 O
|
| 885 |
+
ATOM 881 CG2 THR A 110 -9.289 33.343 6.165 1.00 15.71 C
|
| 886 |
+
ATOM 882 N VAL A 111 -6.743 34.459 8.393 1.00 18.35 N
|
| 887 |
+
ATOM 883 CA VAL A 111 -5.856 33.658 9.228 1.00 19.13 C
|
| 888 |
+
ATOM 884 C VAL A 111 -6.615 32.449 9.736 1.00 20.41 C
|
| 889 |
+
ATOM 885 O VAL A 111 -7.610 32.583 10.454 1.00 20.66 O
|
| 890 |
+
ATOM 886 CB VAL A 111 -5.313 34.459 10.423 1.00 19.27 C
|
| 891 |
+
ATOM 887 CG1 VAL A 111 -4.288 33.630 11.210 1.00 18.71 C
|
| 892 |
+
ATOM 888 CG2 VAL A 111 -4.705 35.789 9.950 1.00 18.24 C
|
| 893 |
+
ATOM 889 N SER A 112 -6.155 31.267 9.347 1.00 21.78 N
|
| 894 |
+
ATOM 890 CA SER A 112 -6.837 30.033 9.705 1.00 23.79 C
|
| 895 |
+
ATOM 891 C SER A 112 -6.329 29.497 11.045 1.00 24.79 C
|
| 896 |
+
ATOM 892 O SER A 112 -5.207 29.798 11.455 1.00 24.98 O
|
| 897 |
+
ATOM 893 CB SER A 112 -6.672 28.985 8.597 1.00 23.85 C
|
| 898 |
+
ATOM 894 OG SER A 112 -5.303 28.665 8.400 1.00 25.71 O
|
| 899 |
+
ATOM 895 N SER A 113 -7.173 28.712 11.711 1.00 26.20 N
|
| 900 |
+
ATOM 896 CA SER A 113 -6.855 28.097 12.996 1.00 27.27 C
|
| 901 |
+
ATOM 897 C SER A 113 -6.471 26.636 12.773 1.00 27.70 C
|
| 902 |
+
ATOM 898 O SER A 113 -7.194 25.899 12.097 1.00 27.64 O
|
| 903 |
+
ATOM 899 CB SER A 113 -8.074 28.156 13.930 1.00 27.67 C
|
| 904 |
+
ATOM 900 OG SER A 113 -8.473 29.494 14.195 1.00 28.21 O
|
| 905 |
+
HETATM 901 C1 MPD A 114 5.944 58.847 -0.533 1.00 47.12 C
|
| 906 |
+
HETATM 902 C2 MPD A 114 5.028 57.670 -0.219 1.00 47.45 C
|
| 907 |
+
HETATM 903 O2 MPD A 114 4.023 57.618 -1.266 1.00 47.60 O
|
| 908 |
+
HETATM 904 CM MPD A 114 5.826 56.373 -0.257 1.00 46.68 C
|
| 909 |
+
HETATM 905 C3 MPD A 114 4.270 57.819 1.106 1.00 46.79 C
|
| 910 |
+
HETATM 906 C4 MPD A 114 5.008 58.427 2.294 1.00 45.65 C
|
| 911 |
+
HETATM 907 O4 MPD A 114 5.414 59.736 1.965 1.00 45.83 O
|
| 912 |
+
HETATM 908 C5 MPD A 114 4.112 58.466 3.531 1.00 44.15 C
|
| 913 |
+
HETATM 909 C1 MPD A 115 -3.335 57.985 7.179 1.00 53.18 C
|
| 914 |
+
HETATM 910 C2 MPD A 115 -4.210 58.426 8.337 1.00 53.75 C
|
| 915 |
+
HETATM 911 O2 MPD A 115 -5.550 57.959 8.059 1.00 54.71 O
|
| 916 |
+
HETATM 912 CM MPD A 115 -3.750 57.753 9.625 1.00 54.68 C
|
| 917 |
+
HETATM 913 C3 MPD A 115 -4.170 59.956 8.401 1.00 53.43 C
|
| 918 |
+
HETATM 914 C4 MPD A 115 -4.979 60.602 9.520 1.00 52.85 C
|
| 919 |
+
HETATM 915 O4 MPD A 115 -4.412 61.861 9.792 1.00 52.16 O
|
| 920 |
+
HETATM 916 C5 MPD A 115 -6.437 60.798 9.120 1.00 52.44 C
|
| 921 |
+
HETATM 917 O HOH A 116 3.692 62.966 6.190 1.00 24.76 O
|
| 922 |
+
HETATM 918 O HOH A 117 -6.734 64.549 3.385 1.00 25.53 O
|
| 923 |
+
HETATM 919 O HOH A 118 1.341 48.036 24.046 1.00 37.64 O
|
| 924 |
+
HETATM 920 O HOH A 119 -8.062 60.227 -8.603 1.00 45.40 O
|
| 925 |
+
HETATM 921 O HOH A 120 7.504 63.532 8.710 1.00 44.40 O
|
| 926 |
+
HETATM 922 O HOH A 121 6.332 43.171 11.926 1.00 34.20 O
|
| 927 |
+
HETATM 923 O HOH A 122 4.732 64.420 -0.002 1.00 46.54 O
|
| 928 |
+
HETATM 924 O HOH A 123 1.238 63.065 12.004 1.00 22.71 O
|
| 929 |
+
HETATM 925 O HOH A 124 -3.875 67.721 -8.251 1.00 35.37 O
|
| 930 |
+
HETATM 926 O HOH A 125 3.248 72.115 1.964 1.00 33.23 O
|
| 931 |
+
HETATM 927 O HOH A 126 -6.777 51.576 16.737 1.00 25.57 O
|
| 932 |
+
HETATM 928 O HOH A 127 -0.671 59.948 11.060 1.00 28.09 O
|
| 933 |
+
HETATM 929 O HOH A 128 2.798 42.518 -0.844 1.00 34.91 O
|
| 934 |
+
HETATM 930 O HOH A 129 -0.922 27.219 13.282 1.00 49.05 O
|
| 935 |
+
HETATM 931 O HOH A 130 6.868 46.815 6.735 1.00 30.72 O
|
| 936 |
+
HETATM 932 O HOH A 131 8.281 56.805 15.320 1.00 35.37 O
|
| 937 |
+
HETATM 933 O HOH A 132 5.903 53.419 16.663 1.00 33.11 O
|
| 938 |
+
HETATM 934 O HOH A 133 -8.621 40.542 -1.468 1.00 22.81 O
|
| 939 |
+
HETATM 935 O HOH A 134 -5.531 47.985 20.179 1.00 27.25 O
|
| 940 |
+
HETATM 936 O HOH A 135 -7.673 54.867 -4.562 1.00 27.15 O
|
| 941 |
+
HETATM 937 O HOH A 136 4.274 61.762 2.246 1.00 32.92 O
|
| 942 |
+
HETATM 938 O HOH A 137 2.846 58.398 13.060 1.00 31.07 O
|
| 943 |
+
HETATM 939 O HOH A 138 -3.597 32.818 -0.351 1.00 34.39 O
|
| 944 |
+
HETATM 940 O HOH A 139 5.074 47.353 15.911 1.00 29.67 O
|
| 945 |
+
HETATM 941 O HOH A 140 1.700 38.753 0.487 1.00 35.80 O
|
| 946 |
+
HETATM 942 O HOH A 141 8.781 45.527 -5.122 1.00 46.01 O
|
| 947 |
+
HETATM 943 O HOH A 142 -10.415 32.968 9.721 1.00 36.25 O
|
| 948 |
+
HETATM 944 O HOH A 143 3.929 32.348 7.117 1.00 37.36 O
|
| 949 |
+
HETATM 945 O HOH A 144 -5.874 42.645 -3.025 1.00 45.76 O
|
| 950 |
+
HETATM 946 O HOH A 145 0.570 51.943 22.943 1.00 36.26 O
|
| 951 |
+
HETATM 947 O HOH A 146 -1.861 52.997 -7.465 1.00 34.81 O
|
| 952 |
+
HETATM 948 O HOH A 147 2.558 53.491 18.549 1.00 34.97 O
|
| 953 |
+
HETATM 949 O HOH A 148 1.738 42.489 -3.637 1.00 36.62 O
|
| 954 |
+
HETATM 950 O HOH A 149 -10.171 57.312 -2.580 1.00 34.49 O
|
| 955 |
+
HETATM 951 O HOH A 150 -13.692 40.132 2.401 1.00 40.88 O
|
| 956 |
+
HETATM 952 O HOH A 151 -5.874 71.464 5.911 1.00 27.56 O
|
| 957 |
+
HETATM 953 O HOH A 152 -5.646 41.466 16.586 1.00 39.14 O
|
| 958 |
+
HETATM 954 O HOH A 153 5.144 34.819 11.875 1.00 36.92 O
|
| 959 |
+
HETATM 955 O HOH A 154 -9.384 53.493 14.793 1.00 42.67 O
|
| 960 |
+
HETATM 956 O HOH A 155 -2.900 59.933 12.390 1.00 32.86 O
|
| 961 |
+
HETATM 957 O HOH A 156 12.034 54.868 0.869 1.00 42.88 O
|
| 962 |
+
HETATM 958 O HOH A 157 10.198 52.882 5.763 1.00 33.89 O
|
| 963 |
+
HETATM 959 O HOH A 158 9.991 47.460 3.913 1.00 41.91 O
|
| 964 |
+
HETATM 960 O HOH A 159 3.150 64.664 9.023 1.00 29.16 O
|
| 965 |
+
HETATM 961 O HOH A 160 7.721 51.081 12.930 1.00 36.49 O
|
| 966 |
+
HETATM 962 O HOH A 161 -11.967 44.164 -3.502 1.00 48.57 O
|
| 967 |
+
HETATM 963 O HOH A 162 4.860 62.195 -1.015 1.00 43.84 O
|
| 968 |
+
HETATM 964 O HOH A 163 0.239 43.643 20.468 1.00 31.30 O
|
| 969 |
+
HETATM 965 O HOH A 164 6.725 49.060 17.066 1.00 36.65 O
|
| 970 |
+
HETATM 966 O HOH A 165 -4.999 27.372 6.092 1.00 46.38 O
|
| 971 |
+
HETATM 967 O HOH A 166 -12.684 43.188 -0.758 1.00 51.33 O
|
| 972 |
+
HETATM 968 O HOH A 167 -11.880 55.065 -2.858 1.00 53.73 O
|
| 973 |
+
HETATM 969 O HOH A 168 0.326 40.459 -4.981 1.00 29.84 O
|
| 974 |
+
HETATM 970 O HOH A 169 -11.298 38.780 12.788 1.00 43.97 O
|
| 975 |
+
HETATM 971 O HOH A 170 -11.097 60.436 7.889 1.00 42.39 O
|
| 976 |
+
HETATM 972 O HOH A 171 8.154 39.664 4.066 1.00 49.27 O
|
| 977 |
+
HETATM 973 O HOH A 172 6.550 69.311 4.444 1.00 37.87 O
|
| 978 |
+
HETATM 974 O HOH A 173 -12.513 51.914 0.150 1.00 39.21 O
|
| 979 |
+
HETATM 975 O HOH A 174 11.821 57.484 6.707 1.00 53.76 O
|
| 980 |
+
HETATM 976 O HOH A 175 4.087 38.045 2.073 1.00 42.70 O
|
| 981 |
+
HETATM 977 O HOH A 176 6.154 37.812 4.988 1.00 50.02 O
|
| 982 |
+
HETATM 978 O HOH A 177 2.433 29.122 10.643 1.00 48.47 O
|
| 983 |
+
HETATM 979 O HOH A 178 6.766 38.131 15.779 1.00 52.02 O
|
| 984 |
+
HETATM 980 O HOH A 179 5.688 39.140 17.477 1.00 45.81 O
|
| 985 |
+
HETATM 981 O HOH A 180 -7.734 26.947 5.621 1.00 41.95 O
|
| 986 |
+
HETATM 982 O HOH A 181 5.888 64.803 7.609 1.00 40.73 O
|
| 987 |
+
HETATM 983 O HOH A 182 4.442 63.417 -8.429 1.00 46.06 O
|
| 988 |
+
HETATM 984 O HOH A 183 9.938 59.369 14.892 1.00 49.39 O
|
| 989 |
+
HETATM 985 O HOH A 184 -10.051 28.323 10.229 1.00 48.53 O
|
| 990 |
+
HETATM 986 O HOH A 185 7.131 58.504 -3.150 1.00 45.79 O
|
| 991 |
+
HETATM 987 O HOH A 186 13.673 50.125 -4.047 1.00 55.48 O
|
| 992 |
+
HETATM 988 O HOH A 187 7.848 50.664 -9.180 1.00 51.85 O
|
| 993 |
+
HETATM 989 O HOH A 188 11.894 54.986 3.556 1.00 50.72 O
|
| 994 |
+
HETATM 990 O HOH A 189 5.080 41.215 -1.102 1.00 40.84 O
|
| 995 |
+
HETATM 991 O HOH A 190 -1.219 36.805 -2.085 1.00 37.70 O
|
| 996 |
+
HETATM 992 O HOH A 191 -0.271 46.955 -4.834 1.00 30.72 O
|
| 997 |
+
HETATM 993 O HOH A 192 4.077 66.376 1.476 1.00 44.15 O
|
| 998 |
+
HETATM 994 O HOH A 193 3.705 67.716 6.555 1.00 35.02 O
|
| 999 |
+
HETATM 995 O HOH A 194 5.796 66.400 3.230 1.00 52.41 O
|
| 1000 |
+
HETATM 996 O HOH A 195 7.429 55.262 19.152 1.00 50.64 O
|
| 1001 |
+
HETATM 997 O HOH A 196 -4.583 39.877 -2.552 1.00 37.48 O
|
| 1002 |
+
HETATM 998 O HOH A 197 0.039 70.540 4.588 1.00 30.24 O
|
| 1003 |
+
HETATM 999 O HOH A 198 9.104 45.593 7.779 1.00 35.85 O
|
| 1004 |
+
HETATM 1000 O HOH A 199 7.556 51.481 17.107 1.00 39.52 O
|
| 1005 |
+
HETATM 1001 O HOH A 200 10.555 47.954 -1.617 1.00 48.42 O
|
| 1006 |
+
HETATM 1002 O HOH A 201 2.383 46.980 -5.413 1.00 46.19 O
|
sabdab_dataset/1ynl/abangle/1ynl.abangle
ADDED
|
@@ -0,0 +1,2 @@
|
|
|
|
|
|
|
|
|
|
| 1 |
+
pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
|
| 2 |
+
1ynl H L 0 -57.75 68.13 112.29 120.92 82.69 16.48
|
sabdab_dataset/1ynl/annotation/1ynl_H_VH.ann
ADDED
|
@@ -0,0 +1,116 @@
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|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
H1 R
|
| 2 |
+
H2 V
|
| 3 |
+
H3 Q
|
| 4 |
+
H4 L
|
| 5 |
+
H5 L
|
| 6 |
+
H6 E
|
| 7 |
+
H7 S
|
| 8 |
+
H8 G
|
| 9 |
+
H9 A
|
| 10 |
+
H10 E
|
| 11 |
+
H11 L
|
| 12 |
+
H12 M
|
| 13 |
+
H13 K
|
| 14 |
+
H14 P
|
| 15 |
+
H15 G
|
| 16 |
+
H16 A
|
| 17 |
+
H17 S
|
| 18 |
+
H18 V
|
| 19 |
+
H19 Q
|
| 20 |
+
H20 I
|
| 21 |
+
H21 S
|
| 22 |
+
H22 C
|
| 23 |
+
H23 K
|
| 24 |
+
H24 A
|
| 25 |
+
H25 T
|
| 26 |
+
H26 G
|
| 27 |
+
H27 Y
|
| 28 |
+
H28 T
|
| 29 |
+
H29 F
|
| 30 |
+
H30 S
|
| 31 |
+
H31 F
|
| 32 |
+
H32 Y
|
| 33 |
+
H33 W
|
| 34 |
+
H34 I
|
| 35 |
+
H35 E
|
| 36 |
+
H36 W
|
| 37 |
+
H37 V
|
| 38 |
+
H38 K
|
| 39 |
+
H39 E
|
| 40 |
+
H40 R
|
| 41 |
+
H41 P
|
| 42 |
+
H42 G
|
| 43 |
+
H43 H
|
| 44 |
+
H44 G
|
| 45 |
+
H45 L
|
| 46 |
+
H46 E
|
| 47 |
+
H47 W
|
| 48 |
+
H48 I
|
| 49 |
+
H49 G
|
| 50 |
+
H50 E
|
| 51 |
+
H51 I
|
| 52 |
+
H52 L
|
| 53 |
+
H52A P
|
| 54 |
+
H53 G
|
| 55 |
+
H54 S
|
| 56 |
+
H55 G
|
| 57 |
+
H56 R
|
| 58 |
+
H57 T
|
| 59 |
+
H58 N
|
| 60 |
+
H59 Y
|
| 61 |
+
H60 R
|
| 62 |
+
H61 E
|
| 63 |
+
H62 K
|
| 64 |
+
H63 F
|
| 65 |
+
H64 K
|
| 66 |
+
H65 G
|
| 67 |
+
H66 K
|
| 68 |
+
H67 A
|
| 69 |
+
H68 T
|
| 70 |
+
H69 F
|
| 71 |
+
H70 T
|
| 72 |
+
H71 A
|
| 73 |
+
H72 D
|
| 74 |
+
H73 T
|
| 75 |
+
H74 S
|
| 76 |
+
H75 S
|
| 77 |
+
H76 N
|
| 78 |
+
H77 T
|
| 79 |
+
H78 A
|
| 80 |
+
H79 Y
|
| 81 |
+
H80 M
|
| 82 |
+
H81 Q
|
| 83 |
+
H82 L
|
| 84 |
+
H82A S
|
| 85 |
+
H82B S
|
| 86 |
+
H82C L
|
| 87 |
+
H83 T
|
| 88 |
+
H84 S
|
| 89 |
+
H85 E
|
| 90 |
+
H86 D
|
| 91 |
+
H87 S
|
| 92 |
+
H88 A
|
| 93 |
+
H89 V
|
| 94 |
+
H90 Y
|
| 95 |
+
H91 Y
|
| 96 |
+
H92 C
|
| 97 |
+
H93 T
|
| 98 |
+
H94 R
|
| 99 |
+
H95 G
|
| 100 |
+
H96 Y
|
| 101 |
+
H97 S
|
| 102 |
+
H98 S
|
| 103 |
+
H99 M
|
| 104 |
+
H101 D
|
| 105 |
+
H102 Y
|
| 106 |
+
H103 W
|
| 107 |
+
H104 G
|
| 108 |
+
H105 Q
|
| 109 |
+
H106 G
|
| 110 |
+
H107 T
|
| 111 |
+
H108 S
|
| 112 |
+
H109 V
|
| 113 |
+
H110 T
|
| 114 |
+
H111 V
|
| 115 |
+
H112 S
|
| 116 |
+
H113 A
|