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- .gitattributes +38 -0
- abeta_conformations/abeta42_5seed.pkl +3 -0
- abeta_conformations/pdbs/abeta42_seed0_42.pdb +170 -0
- abeta_conformations/pdbs/abeta42_seed1_42.pdb +170 -0
- abeta_conformations/pdbs/abeta42_seed2_42.pdb +170 -0
- abeta_conformations/pdbs/abeta42_seed3_42.pdb +170 -0
- abeta_conformations/pdbs/abeta42_seed4_42.pdb +170 -0
- abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed0_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed1_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed2_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed3_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed4_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed0_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed1_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed2_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed3_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed4_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed0_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed1_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed2_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed3_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed4_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed0_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed1_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed2_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed3_42_pose.pdb +0 -0
- abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed4_42_pose.pdb +0 -0
- caid2/binding/labels/DP02342.label +1 -0
- caid2/binding/labels/DP02348.label +1 -0
- caid2/binding/labels/DP02411.label +1 -0
- caid2/binding/labels/DP02449.label +1 -0
- caid2/binding/labels/DP02537.label +1 -0
- caid2/binding/labels/DP02543.label +1 -0
- caid2/binding/labels/DP02553.label +1 -0
- caid2/binding/labels/DP02556.label +1 -0
- caid2/binding/labels/DP02557.label +1 -0
- caid2/binding/labels/DP02762.label +1 -0
- caid2/binding/labels/DP02821.label +1 -0
- caid2/binding/labels/DP02829.label +1 -0
- caid2/binding/labels/DP02841.label +1 -0
- caid2/binding/labels/DP02849.label +1 -0
- caid2/binding/labels/DP02866.label +1 -0
- caid2/binding/labels/DP02867.label +1 -0
- caid2/binding/labels/DP02904.label +1 -0
- caid2/binding/labels/DP02905.label +1 -0
- caid2/binding/labels/DP02907.label +1 -0
- caid2/binding/labels/DP02909.label +1 -0
- caid2/binding/labels/DP02911.label +1 -0
- caid2/binding/labels/DP02912.label +1 -0
- caid2/binding/labels/DP02914.label +1 -0
.gitattributes
CHANGED
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@@ -58,3 +58,41 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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calibration_nmr_pdb/1DT7.pdb filter=lfs diff=lfs merge=lfs -text
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calibration_nmr_pdb/2H35.pdb filter=lfs diff=lfs merge=lfs -text
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disprot_current/entries.json filter=lfs diff=lfs merge=lfs -text
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confidence_idp_v3/data.mdb filter=lfs diff=lfs merge=lfs -text
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phase3_processed/val.lmdb filter=lfs diff=lfs merge=lfs -text
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phase3_v5_1_clustered/train.lmdb filter=lfs diff=lfs merge=lfs -text
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phase3_processed/train.lmdb filter=lfs diff=lfs merge=lfs -text
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processed/structures.lmdb-ids filter=lfs diff=lfs merge=lfs -text
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phase3_expanded/val.lmdb filter=lfs diff=lfs merge=lfs -text
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phase3_v5_1_pair_clustered/val.lmdb filter=lfs diff=lfs merge=lfs -text
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sabdab2_current/all-summary.csv filter=lfs diff=lfs merge=lfs -text
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sabdab_phase3_processed/val.lmdb filter=lfs diff=lfs merge=lfs -text
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sabdab2_abag_external/test.lmdb filter=lfs diff=lfs merge=lfs -text
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phase3_expanded/train.lmdb filter=lfs diff=lfs merge=lfs -text
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phase3_v5_1_pair_clustered/train.lmdb filter=lfs diff=lfs merge=lfs -text
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phase3_v5_1_clustered/val.lmdb filter=lfs diff=lfs merge=lfs -text
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sabdab_phase3_processed/train.lmdb filter=lfs diff=lfs merge=lfs -text
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confidence_merged_v10/confidence_val.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_merged_v9/confidence_val.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_merged_v8/confidence_val.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_conformation_v5_clustered/confidence_calibration.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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processed/structures.lmdb filter=lfs diff=lfs merge=lfs -text
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confidence_conformation_v5_clustered/confidence_train.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_conformation_v5_clustered/confidence_val.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_conformation_v1/confidence_train.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_merged_v10/confidence_train.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_merged_v8/confidence_train.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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statecontrast_structural_smoke/parents.lmdb filter=lfs diff=lfs merge=lfs -text
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statecontrast_structural_smoke_v2/parents.lmdb filter=lfs diff=lfs merge=lfs -text
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statecontrast_structural_v2_1/validation_parents.lmdb filter=lfs diff=lfs merge=lfs -text
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statecontrast_structural_v2_1/train_parents.lmdb filter=lfs diff=lfs merge=lfs -text
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confidence_merged_v9/confidence_train.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_idp_unified/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_unified_v2/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_design_variants_v14/train.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_design_variants_v14/train_grouped.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_design_variants_v14/val_grouped.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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confidence_conformation_v5/confidence_train.lmdb/data.mdb filter=lfs diff=lfs merge=lfs -text
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abeta_conformations/abeta42_5seed.pkl
ADDED
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@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:35aac66ee41d53ad6ac8b644dd1889133dd7d76a94de8ea94d9e559a1a212241
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size 3117
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abeta_conformations/pdbs/abeta42_seed0_42.pdb
ADDED
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| 1 |
+
ATOM 1 CA ASP P 1 -16.580 38.412 13.442 1.00 0.00 C
|
| 2 |
+
ATOM 2 N ASP P 1 -16.262 39.152 15.159 1.00 0.00 N
|
| 3 |
+
ATOM 3 C ASP P 1 -16.911 37.641 11.674 1.00 0.00 C
|
| 4 |
+
ATOM 4 O ASP P 1 -17.042 37.337 11.174 1.00 0.00 O
|
| 5 |
+
ATOM 5 CA ALA P 2 -17.438 36.415 10.155 1.00 0.00 C
|
| 6 |
+
ATOM 6 N ALA P 2 -17.120 37.155 11.873 1.00 0.00 N
|
| 7 |
+
ATOM 7 C ALA P 2 -17.769 35.644 8.388 1.00 0.00 C
|
| 8 |
+
ATOM 8 O ALA P 2 -17.900 35.340 7.887 1.00 0.00 O
|
| 9 |
+
ATOM 9 CA GLU P 3 -16.559 32.403 10.886 1.00 0.00 C
|
| 10 |
+
ATOM 10 N GLU P 3 -16.867 33.807 11.130 1.00 0.00 N
|
| 11 |
+
ATOM 11 C GLU P 3 -16.238 30.941 10.652 1.00 0.00 C
|
| 12 |
+
ATOM 12 O GLU P 3 -16.112 30.364 10.757 1.00 0.00 O
|
| 13 |
+
ATOM 13 CA PHE P 4 -17.513 29.941 7.855 1.00 0.00 C
|
| 14 |
+
ATOM 14 N PHE P 4 -17.166 30.835 9.456 1.00 0.00 N
|
| 15 |
+
ATOM 15 C PHE P 4 -17.873 29.010 6.208 1.00 0.00 C
|
| 16 |
+
ATOM 16 O PHE P 4 -18.016 28.642 5.756 1.00 0.00 O
|
| 17 |
+
ATOM 17 CA ARG P 5 -16.566 27.080 5.484 1.00 0.00 C
|
| 18 |
+
ATOM 18 N ARG P 5 -16.927 28.169 6.886 1.00 0.00 N
|
| 19 |
+
ATOM 19 C ARG P 5 -16.191 25.946 4.044 1.00 0.00 C
|
| 20 |
+
ATOM 20 O ARG P 5 -16.043 25.499 3.673 1.00 0.00 O
|
| 21 |
+
ATOM 21 CA HIS P 6 -15.068 23.522 5.182 1.00 0.00 C
|
| 22 |
+
ATOM 22 N HIS P 6 -15.633 24.863 5.796 1.00 0.00 N
|
| 23 |
+
ATOM 23 C HIS P 6 -14.480 22.125 4.564 1.00 0.00 C
|
| 24 |
+
ATOM 24 O HIS P 6 -14.248 21.574 4.517 1.00 0.00 O
|
| 25 |
+
ATOM 25 CA ASP P 7 -12.281 20.901 5.857 1.00 0.00 C
|
| 26 |
+
ATOM 26 N ASP P 7 -13.329 21.886 6.104 1.00 0.00 N
|
| 27 |
+
ATOM 27 C ASP P 7 -11.191 19.876 5.622 1.00 0.00 C
|
| 28 |
+
ATOM 28 O ASP P 7 -10.760 19.471 5.726 1.00 0.00 O
|
| 29 |
+
ATOM 29 CA SER P 8 -11.184 20.024 2.609 1.00 0.00 C
|
| 30 |
+
ATOM 30 N SER P 8 -11.637 20.386 4.449 1.00 0.00 N
|
| 31 |
+
ATOM 31 C SER P 8 -10.713 19.647 0.713 1.00 0.00 C
|
| 32 |
+
ATOM 32 O SER P 8 -10.527 19.498 0.163 1.00 0.00 O
|
| 33 |
+
ATOM 33 CA GLY P 9 -9.502 16.672 2.720 1.00 0.00 C
|
| 34 |
+
ATOM 34 N GLY P 9 -10.157 17.976 3.177 1.00 0.00 N
|
| 35 |
+
ATOM 35 C GLY P 9 -8.821 15.314 2.266 1.00 0.00 C
|
| 36 |
+
ATOM 36 O GLY P 9 -8.552 14.778 2.283 1.00 0.00 O
|
| 37 |
+
ATOM 37 CA TYR P 10 -5.775 16.175 3.651 1.00 0.00 C
|
| 38 |
+
ATOM 38 N TYR P 10 -7.180 16.362 3.800 1.00 0.00 N
|
| 39 |
+
ATOM 39 C TYR P 10 -4.312 15.980 3.516 1.00 0.00 C
|
| 40 |
+
ATOM 40 O TYR P 10 -3.735 15.903 3.660 1.00 0.00 O
|
| 41 |
+
ATOM 41 CA GLU P 11 -5.920 12.517 2.765 1.00 0.00 C
|
| 42 |
+
ATOM 42 N GLU P 11 -5.864 13.935 3.608 1.00 0.00 N
|
| 43 |
+
ATOM 43 C GLU P 11 -5.979 11.040 1.907 1.00 0.00 C
|
| 44 |
+
ATOM 44 O GLU P 11 -6.002 10.458 1.766 1.00 0.00 O
|
| 45 |
+
ATOM 45 CA VAL P 12 -3.382 12.426 0.321 1.00 0.00 C
|
| 46 |
+
ATOM 46 N VAL P 12 -4.434 12.464 1.834 1.00 0.00 N
|
| 47 |
+
ATOM 47 C VAL P 12 -2.287 12.387 -1.232 1.00 0.00 C
|
| 48 |
+
ATOM 48 O VAL P 12 -1.855 12.372 -1.648 1.00 0.00 O
|
| 49 |
+
ATOM 49 CA HIS P 13 -3.385 8.528 0.752 1.00 0.00 C
|
| 50 |
+
ATOM 50 N HIS P 13 -3.384 9.979 1.092 1.00 0.00 N
|
| 51 |
+
ATOM 51 C HIS P 13 -3.385 7.017 0.419 1.00 0.00 C
|
| 52 |
+
ATOM 52 O HIS P 13 -3.386 6.421 0.485 1.00 0.00 O
|
| 53 |
+
ATOM 53 CA HIS P 14 0.227 7.817 0.043 1.00 0.00 C
|
| 54 |
+
ATOM 54 N HIS P 14 -1.179 8.094 0.819 1.00 0.00 N
|
| 55 |
+
ATOM 55 C HIS P 14 1.692 7.529 -0.745 1.00 0.00 C
|
| 56 |
+
ATOM 56 O HIS P 14 2.270 7.415 -0.859 1.00 0.00 O
|
| 57 |
+
ATOM 57 CA GLN P 15 0.048 4.235 0.846 1.00 0.00 C
|
| 58 |
+
ATOM 58 N GLN P 15 0.119 5.658 1.027 1.00 0.00 N
|
| 59 |
+
ATOM 59 C GLN P 15 -0.026 2.754 0.678 1.00 0.00 C
|
| 60 |
+
ATOM 60 O GLN P 15 -0.055 2.169 0.809 1.00 0.00 O
|
| 61 |
+
ATOM 61 CA LYS P 16 -2.394 3.011 -1.929 1.00 0.00 C
|
| 62 |
+
ATOM 62 N LYS P 16 -1.478 3.470 -0.389 1.00 0.00 N
|
| 63 |
+
ATOM 63 C LYS P 16 -3.347 2.533 -3.512 1.00 0.00 C
|
| 64 |
+
ATOM 64 O LYS P 16 -3.723 2.345 -3.940 1.00 0.00 O
|
| 65 |
+
ATOM 65 CA LEU P 17 0.521 2.122 -4.095 1.00 0.00 C
|
| 66 |
+
ATOM 66 N LEU P 17 -0.617 2.469 -2.749 1.00 0.00 N
|
| 67 |
+
ATOM 67 C LEU P 17 1.706 1.760 -5.476 1.00 0.00 C
|
| 68 |
+
ATOM 68 O LEU P 17 2.173 1.618 -5.824 1.00 0.00 O
|
| 69 |
+
ATOM 69 CA VAL P 18 0.187 -1.252 -2.465 1.00 0.00 C
|
| 70 |
+
ATOM 70 N VAL P 18 0.316 0.057 -2.598 1.00 0.00 N
|
| 71 |
+
ATOM 71 C VAL P 18 0.052 -2.615 -2.306 1.00 0.00 C
|
| 72 |
+
ATOM 72 O VAL P 18 -0.001 -3.153 -2.046 1.00 0.00 O
|
| 73 |
+
ATOM 73 CA PHE P 19 -3.283 -1.625 -3.923 1.00 0.00 C
|
| 74 |
+
ATOM 74 N PHE P 19 -1.944 -1.481 -2.860 1.00 0.00 N
|
| 75 |
+
ATOM 75 C PHE P 19 -4.677 -1.775 -5.009 1.00 0.00 C
|
| 76 |
+
ATOM 76 O PHE P 19 -5.228 -1.834 -5.241 1.00 0.00 O
|
| 77 |
+
ATOM 77 CA PHE P 20 -2.212 -1.738 -7.431 1.00 0.00 C
|
| 78 |
+
ATOM 78 N PHE P 20 -2.638 -1.693 -5.535 1.00 0.00 N
|
| 79 |
+
ATOM 79 C PHE P 20 -1.769 -1.785 -9.384 1.00 0.00 C
|
| 80 |
+
ATOM 80 O PHE P 20 -1.594 -1.804 -9.957 1.00 0.00 O
|
| 81 |
+
ATOM 81 CA ALA P 21 -3.477 -5.247 -8.216 1.00 0.00 C
|
| 82 |
+
ATOM 82 N ALA P 21 -2.992 -3.903 -7.415 1.00 0.00 N
|
| 83 |
+
ATOM 83 C ALA P 21 -3.981 -6.646 -9.029 1.00 0.00 C
|
| 84 |
+
ATOM 84 O ALA P 21 -4.180 -7.199 -9.153 1.00 0.00 O
|
| 85 |
+
ATOM 85 CA GLU P 22 -2.583 -8.581 -6.823 1.00 0.00 C
|
| 86 |
+
ATOM 86 N GLU P 22 -2.934 -7.273 -6.869 1.00 0.00 N
|
| 87 |
+
ATOM 87 C GLU P 22 -2.219 -9.942 -6.754 1.00 0.00 C
|
| 88 |
+
ATOM 88 O GLU P 22 -2.075 -10.480 -6.529 1.00 0.00 O
|
| 89 |
+
ATOM 89 CA ASP P 23 -5.395 -9.237 -9.185 1.00 0.00 C
|
| 90 |
+
ATOM 90 N ASP P 23 -4.295 -8.980 -7.761 1.00 0.00 N
|
| 91 |
+
ATOM 91 C ASP P 23 -6.541 -9.504 -10.648 1.00 0.00 C
|
| 92 |
+
ATOM 92 O ASP P 23 -6.993 -9.610 -11.028 1.00 0.00 O
|
| 93 |
+
ATOM 93 CA VAL P 24 -3.148 -10.373 -11.725 1.00 0.00 C
|
| 94 |
+
ATOM 94 N VAL P 24 -4.065 -9.909 -10.188 1.00 0.00 N
|
| 95 |
+
ATOM 95 C VAL P 24 -2.193 -10.856 -13.305 1.00 0.00 C
|
| 96 |
+
ATOM 96 O VAL P 24 -1.816 -11.046 -13.731 1.00 0.00 O
|
| 97 |
+
ATOM 97 CA GLY P 25 -3.861 -13.232 -9.516 1.00 0.00 C
|
| 98 |
+
ATOM 98 N GLY P 25 -3.579 -12.099 -9.892 1.00 0.00 N
|
| 99 |
+
ATOM 99 C GLY P 25 -4.156 -14.412 -9.104 1.00 0.00 C
|
| 100 |
+
ATOM 100 O GLY P 25 -4.272 -14.878 -8.744 1.00 0.00 O
|
| 101 |
+
ATOM 101 CA SER P 26 -3.086 -16.193 -11.525 1.00 0.00 C
|
| 102 |
+
ATOM 102 N SER P 26 -3.395 -15.012 -10.224 1.00 0.00 N
|
| 103 |
+
ATOM 103 C SER P 26 -2.764 -17.422 -12.859 1.00 0.00 C
|
| 104 |
+
ATOM 104 O SER P 26 -2.636 -17.907 -13.188 1.00 0.00 O
|
| 105 |
+
ATOM 105 CA ASN P 27 -0.718 -17.783 -14.192 1.00 0.00 C
|
| 106 |
+
ATOM 106 N ASN P 27 -1.603 -17.189 -12.695 1.00 0.00 N
|
| 107 |
+
ATOM 107 C ASN P 27 0.204 -18.402 -15.730 1.00 0.00 C
|
| 108 |
+
ATOM 108 O ASN P 27 0.568 -18.647 -16.140 1.00 0.00 O
|
| 109 |
+
ATOM 109 CA LYS P 28 2.179 -15.559 -15.650 1.00 0.00 C
|
| 110 |
+
ATOM 110 N LYS P 28 1.104 -16.385 -14.609 1.00 0.00 N
|
| 111 |
+
ATOM 111 C LYS P 28 3.299 -14.699 -16.713 1.00 0.00 C
|
| 112 |
+
ATOM 112 O LYS P 28 3.741 -14.360 -16.936 1.00 0.00 O
|
| 113 |
+
ATOM 113 CA GLY P 29 0.566 -11.610 -14.799 1.00 0.00 C
|
| 114 |
+
ATOM 114 N GLY P 29 1.108 -12.935 -14.585 1.00 0.00 N
|
| 115 |
+
ATOM 115 C GLY P 29 0.003 -10.230 -15.002 1.00 0.00 C
|
| 116 |
+
ATOM 116 O GLY P 29 -0.220 -9.685 -14.885 1.00 0.00 O
|
| 117 |
+
ATOM 117 CA ALA P 30 -2.032 -11.124 -11.750 1.00 0.00 C
|
| 118 |
+
ATOM 118 N ALA P 30 -1.092 -11.299 -12.353 1.00 0.00 N
|
| 119 |
+
ATOM 119 C ALA P 30 -3.011 -10.941 -11.101 1.00 0.00 C
|
| 120 |
+
ATOM 120 O ALA P 30 -3.397 -10.868 -10.648 1.00 0.00 O
|
| 121 |
+
ATOM 121 CA ILE P 31 -0.327 -10.595 -8.337 1.00 0.00 C
|
| 122 |
+
ATOM 122 N ILE P 31 -0.973 -10.795 -9.131 1.00 0.00 N
|
| 123 |
+
ATOM 123 C ILE P 31 0.347 -10.386 -7.490 1.00 0.00 C
|
| 124 |
+
ATOM 124 O ILE P 31 0.612 -10.304 -6.959 1.00 0.00 O
|
| 125 |
+
ATOM 125 CA ILE P 32 1.575 -7.467 -9.453 1.00 0.00 C
|
| 126 |
+
ATOM 126 N ILE P 32 0.850 -8.660 -8.527 1.00 0.00 N
|
| 127 |
+
ATOM 127 C ILE P 32 2.330 -6.225 -10.396 1.00 0.00 C
|
| 128 |
+
ATOM 128 O ILE P 32 2.629 -5.734 -10.571 1.00 0.00 O
|
| 129 |
+
ATOM 129 CA GLY P 33 -1.390 -5.092 -9.331 1.00 0.00 C
|
| 130 |
+
ATOM 130 N GLY P 33 -0.251 -6.005 -8.878 1.00 0.00 N
|
| 131 |
+
ATOM 131 C GLY P 33 -2.576 -4.143 -9.782 1.00 0.00 C
|
| 132 |
+
ATOM 132 O GLY P 33 -3.044 -3.768 -9.763 1.00 0.00 O
|
| 133 |
+
ATOM 133 CA LEU P 34 -2.884 -5.248 -5.624 1.00 0.00 C
|
| 134 |
+
ATOM 134 N LEU P 34 -2.338 -5.191 -6.477 1.00 0.00 N
|
| 135 |
+
ATOM 135 C LEU P 34 -3.451 -5.307 -4.715 1.00 0.00 C
|
| 136 |
+
ATOM 136 O LEU P 34 -3.675 -5.330 -4.159 1.00 0.00 O
|
| 137 |
+
ATOM 137 CA MET P 35 0.429 -4.587 -3.657 1.00 0.00 C
|
| 138 |
+
ATOM 138 N MET P 35 -0.808 -4.834 -3.892 1.00 0.00 N
|
| 139 |
+
ATOM 139 C MET P 35 1.718 -4.330 -3.392 1.00 0.00 C
|
| 140 |
+
ATOM 140 O MET P 35 2.226 -4.228 -3.090 1.00 0.00 O
|
| 141 |
+
ATOM 141 CA VAL P 36 1.006 -0.884 -4.390 1.00 0.00 C
|
| 142 |
+
ATOM 142 N VAL P 36 0.785 -2.300 -3.610 1.00 0.00 N
|
| 143 |
+
ATOM 143 C VAL P 36 1.235 0.590 -5.182 1.00 0.00 C
|
| 144 |
+
ATOM 144 O VAL P 36 1.325 1.172 -5.297 1.00 0.00 O
|
| 145 |
+
ATOM 145 CA GLY P 37 -2.197 1.150 -4.443 1.00 0.00 C
|
| 146 |
+
ATOM 146 N GLY P 37 -0.965 0.367 -3.923 1.00 0.00 N
|
| 147 |
+
ATOM 147 C GLY P 37 -3.480 1.965 -4.964 1.00 0.00 C
|
| 148 |
+
ATOM 148 O GLY P 37 -3.986 2.287 -4.973 1.00 0.00 O
|
| 149 |
+
ATOM 149 CA GLY P 38 -3.799 -0.338 -1.074 1.00 0.00 C
|
| 150 |
+
ATOM 150 N GLY P 38 -3.217 0.203 -1.798 1.00 0.00 N
|
| 151 |
+
ATOM 151 C GLY P 38 -4.405 -0.901 -0.299 1.00 0.00 C
|
| 152 |
+
ATOM 152 O GLY P 38 -4.645 -1.124 0.205 1.00 0.00 O
|
| 153 |
+
ATOM 153 CA VAL P 39 -5.123 -3.772 0.559 1.00 0.00 C
|
| 154 |
+
ATOM 154 N VAL P 39 -4.643 -2.527 0.467 1.00 0.00 N
|
| 155 |
+
ATOM 155 C VAL P 39 -5.623 -5.069 0.676 1.00 0.00 C
|
| 156 |
+
ATOM 156 O VAL P 39 -5.820 -5.580 0.919 1.00 0.00 O
|
| 157 |
+
ATOM 157 CA VAL P 40 -2.240 -6.490 1.740 1.00 0.00 C
|
| 158 |
+
ATOM 158 N VAL P 40 -3.258 -5.530 1.823 1.00 0.00 N
|
| 159 |
+
ATOM 159 C VAL P 40 -1.180 -7.489 1.674 1.00 0.00 C
|
| 160 |
+
ATOM 160 O VAL P 40 -0.762 -7.884 1.846 1.00 0.00 O
|
| 161 |
+
ATOM 161 CA ILE P 41 -4.063 -9.166 2.868 1.00 0.00 C
|
| 162 |
+
ATOM 162 N ILE P 41 -3.287 -8.027 2.888 1.00 0.00 N
|
| 163 |
+
ATOM 163 C ILE P 41 -4.871 -10.353 2.868 1.00 0.00 C
|
| 164 |
+
ATOM 164 O ILE P 41 -5.190 -10.821 3.065 1.00 0.00 O
|
| 165 |
+
ATOM 165 CA ALA P 42 -3.571 -13.149 2.257 1.00 0.00 C
|
| 166 |
+
ATOM 166 N ALA P 42 -3.748 -11.717 2.977 1.00 0.00 N
|
| 167 |
+
ATOM 167 C ALA P 42 -3.387 -14.640 1.528 1.00 0.00 C
|
| 168 |
+
ATOM 168 O ALA P 42 -3.314 -15.229 1.438 1.00 0.00 O
|
| 169 |
+
TER 169 ALA P 42
|
| 170 |
+
END
|
abeta_conformations/pdbs/abeta42_seed1_42.pdb
ADDED
|
@@ -0,0 +1,170 @@
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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 |
+
ATOM 1 CA ASP P 1 6.590 40.765 7.247 1.00 0.00 C
|
| 2 |
+
ATOM 2 N ASP P 1 7.773 41.304 7.083 1.00 0.00 N
|
| 3 |
+
ATOM 3 C ASP P 1 5.358 40.203 7.439 1.00 0.00 C
|
| 4 |
+
ATOM 4 O ASP P 1 4.872 39.982 7.712 1.00 0.00 O
|
| 5 |
+
ATOM 5 CA ALA P 2 3.554 39.380 8.952 1.00 0.00 C
|
| 6 |
+
ATOM 6 N ALA P 2 4.737 39.920 8.788 1.00 0.00 N
|
| 7 |
+
ATOM 7 C ALA P 2 2.322 38.819 9.144 1.00 0.00 C
|
| 8 |
+
ATOM 8 O ALA P 2 1.836 38.597 9.417 1.00 0.00 O
|
| 9 |
+
ATOM 9 CA GLU P 3 3.478 36.258 7.934 1.00 0.00 C
|
| 10 |
+
ATOM 10 N GLU P 3 3.512 37.646 8.887 1.00 0.00 N
|
| 11 |
+
ATOM 11 C GLU P 3 3.444 34.813 6.963 1.00 0.00 C
|
| 12 |
+
ATOM 12 O GLU P 3 3.430 34.243 6.777 1.00 0.00 O
|
| 13 |
+
ATOM 13 CA PHE P 4 -2.728 33.258 7.165 1.00 0.00 C
|
| 14 |
+
ATOM 14 N PHE P 4 -1.422 33.890 7.827 1.00 0.00 N
|
| 15 |
+
ATOM 15 C PHE P 4 -4.088 32.601 6.497 1.00 0.00 C
|
| 16 |
+
ATOM 16 O PHE P 4 -4.625 32.341 6.430 1.00 0.00 O
|
| 17 |
+
ATOM 17 CA ARG P 5 -4.527 30.048 5.848 1.00 0.00 C
|
| 18 |
+
ATOM 18 N ARG P 5 -3.855 31.247 6.840 1.00 0.00 N
|
| 19 |
+
ATOM 19 C ARG P 5 -5.227 28.799 4.835 1.00 0.00 C
|
| 20 |
+
ATOM 20 O ARG P 5 -5.503 28.307 4.633 1.00 0.00 O
|
| 21 |
+
ATOM 21 CA HIS P 6 -5.394 28.080 2.919 1.00 0.00 C
|
| 22 |
+
ATOM 22 N HIS P 6 -5.046 28.871 4.596 1.00 0.00 N
|
| 23 |
+
ATOM 23 C HIS P 6 -5.756 27.257 1.194 1.00 0.00 C
|
| 24 |
+
ATOM 24 O HIS P 6 -5.899 26.932 0.710 1.00 0.00 O
|
| 25 |
+
ATOM 25 CA ASP P 7 -3.020 27.341 -0.067 1.00 0.00 C
|
| 26 |
+
ATOM 26 N ASP P 7 -3.912 27.619 1.555 1.00 0.00 N
|
| 27 |
+
ATOM 27 C ASP P 7 -2.091 27.052 -1.735 1.00 0.00 C
|
| 28 |
+
ATOM 28 O ASP P 7 -1.725 26.938 -2.197 1.00 0.00 O
|
| 29 |
+
ATOM 29 CA SER P 8 -3.053 23.639 0.792 1.00 0.00 C
|
| 30 |
+
ATOM 30 N SER P 8 -3.040 25.061 0.962 1.00 0.00 N
|
| 31 |
+
ATOM 31 C SER P 8 -3.066 22.159 0.635 1.00 0.00 C
|
| 32 |
+
ATOM 32 O SER P 8 -3.071 21.574 0.771 1.00 0.00 O
|
| 33 |
+
ATOM 33 CA GLY P 9 -3.517 22.714 -2.769 1.00 0.00 C
|
| 34 |
+
ATOM 34 N GLY P 9 -3.334 23.078 -0.867 1.00 0.00 N
|
| 35 |
+
ATOM 35 C GLY P 9 -3.707 22.335 -4.729 1.00 0.00 C
|
| 36 |
+
ATOM 36 O GLY P 9 -3.783 22.185 -5.305 1.00 0.00 O
|
| 37 |
+
ATOM 37 CA TYR P 10 -1.829 19.181 -2.634 1.00 0.00 C
|
| 38 |
+
ATOM 38 N TYR P 10 -2.458 20.498 -2.185 1.00 0.00 N
|
| 39 |
+
ATOM 39 C TYR P 10 -1.174 17.810 -3.082 1.00 0.00 C
|
| 40 |
+
ATOM 40 O TYR P 10 -0.916 17.269 -3.061 1.00 0.00 O
|
| 41 |
+
ATOM 41 CA GLU P 11 -2.396 17.709 -5.994 1.00 0.00 C
|
| 42 |
+
ATOM 42 N GLU P 11 -2.173 18.288 -4.173 1.00 0.00 N
|
| 43 |
+
ATOM 43 C GLU P 11 -2.627 17.107 -7.870 1.00 0.00 C
|
| 44 |
+
ATOM 44 O GLU P 11 -2.719 16.869 -8.414 1.00 0.00 O
|
| 45 |
+
ATOM 45 CA VAL P 12 1.247 17.171 -7.066 1.00 0.00 C
|
| 46 |
+
ATOM 46 N VAL P 12 -0.140 17.376 -6.158 1.00 0.00 N
|
| 47 |
+
ATOM 47 C VAL P 12 2.690 16.958 -7.991 1.00 0.00 C
|
| 48 |
+
ATOM 48 O VAL P 12 3.260 16.873 -8.158 1.00 0.00 O
|
| 49 |
+
ATOM 49 CA HIS P 13 2.129 15.324 -10.430 1.00 0.00 C
|
| 50 |
+
ATOM 50 N HIS P 13 1.802 16.009 -8.683 1.00 0.00 N
|
| 51 |
+
ATOM 51 C HIS P 13 2.470 14.611 -12.228 1.00 0.00 C
|
| 52 |
+
ATOM 52 O HIS P 13 2.605 14.330 -12.741 1.00 0.00 O
|
| 53 |
+
ATOM 53 CA HIS P 14 4.583 12.675 -11.253 1.00 0.00 C
|
| 54 |
+
ATOM 54 N HIS P 14 3.616 13.719 -10.429 1.00 0.00 N
|
| 55 |
+
ATOM 55 C HIS P 14 5.590 11.588 -12.091 1.00 0.00 C
|
| 56 |
+
ATOM 56 O HIS P 14 5.988 11.159 -12.225 1.00 0.00 O
|
| 57 |
+
ATOM 57 CA GLN P 15 4.875 9.530 -9.308 1.00 0.00 C
|
| 58 |
+
ATOM 58 N GLN P 15 4.760 10.767 -9.573 1.00 0.00 N
|
| 59 |
+
ATOM 59 C GLN P 15 4.995 8.241 -9.011 1.00 0.00 C
|
| 60 |
+
ATOM 60 O GLN P 15 5.042 7.732 -8.696 1.00 0.00 O
|
| 61 |
+
ATOM 61 CA LYS P 16 4.450 6.738 -12.105 1.00 0.00 C
|
| 62 |
+
ATOM 62 N LYS P 16 4.606 7.764 -10.578 1.00 0.00 N
|
| 63 |
+
ATOM 63 C LYS P 16 4.287 5.671 -13.675 1.00 0.00 C
|
| 64 |
+
ATOM 64 O LYS P 16 4.223 5.249 -14.097 1.00 0.00 O
|
| 65 |
+
ATOM 65 CA LEU P 17 4.090 3.704 -10.096 1.00 0.00 C
|
| 66 |
+
ATOM 66 N LEU P 17 4.234 4.915 -10.398 1.00 0.00 N
|
| 67 |
+
ATOM 67 C LEU P 17 3.941 2.442 -9.761 1.00 0.00 C
|
| 68 |
+
ATOM 68 O LEU P 17 3.882 1.945 -9.431 1.00 0.00 O
|
| 69 |
+
ATOM 69 CA VAL P 18 0.320 3.526 -11.105 1.00 0.00 C
|
| 70 |
+
ATOM 70 N VAL P 18 1.729 3.593 -10.228 1.00 0.00 N
|
| 71 |
+
ATOM 71 C VAL P 18 -1.146 3.457 -11.998 1.00 0.00 C
|
| 72 |
+
ATOM 72 O VAL P 18 -1.725 3.430 -12.153 1.00 0.00 O
|
| 73 |
+
ATOM 73 CA PHE P 19 -1.264 0.716 -9.090 1.00 0.00 C
|
| 74 |
+
ATOM 74 N PHE P 19 -0.656 1.794 -9.363 1.00 0.00 N
|
| 75 |
+
ATOM 75 C PHE P 19 -1.897 -0.407 -8.784 1.00 0.00 C
|
| 76 |
+
ATOM 76 O PHE P 19 -2.147 -0.851 -8.466 1.00 0.00 O
|
| 77 |
+
ATOM 77 CA PHE P 20 -1.772 -1.644 -11.861 1.00 0.00 C
|
| 78 |
+
ATOM 78 N PHE P 20 -1.570 -0.706 -10.260 1.00 0.00 N
|
| 79 |
+
ATOM 79 C PHE P 20 -1.981 -2.620 -13.508 1.00 0.00 C
|
| 80 |
+
ATOM 80 O PHE P 20 -2.064 -3.005 -13.960 1.00 0.00 O
|
| 81 |
+
ATOM 81 CA ALA P 21 -4.305 -2.534 -9.092 1.00 0.00 C
|
| 82 |
+
ATOM 82 N ALA P 21 -3.346 -2.197 -9.640 1.00 0.00 N
|
| 83 |
+
ATOM 83 C ALA P 21 -5.304 -2.884 -8.501 1.00 0.00 C
|
| 84 |
+
ATOM 84 O ALA P 21 -5.698 -3.023 -8.070 1.00 0.00 O
|
| 85 |
+
ATOM 85 CA GLU P 22 -6.430 -4.869 -11.164 1.00 0.00 C
|
| 86 |
+
ATOM 86 N GLU P 22 -5.609 -3.966 -9.863 1.00 0.00 N
|
| 87 |
+
ATOM 87 C GLU P 22 -7.286 -5.809 -12.497 1.00 0.00 C
|
| 88 |
+
ATOM 88 O GLU P 22 -7.623 -6.180 -12.826 1.00 0.00 O
|
| 89 |
+
ATOM 89 CA ASP P 23 -8.528 -7.396 -9.135 1.00 0.00 C
|
| 90 |
+
ATOM 90 N ASP P 23 -7.735 -6.440 -9.402 1.00 0.00 N
|
| 91 |
+
ATOM 91 C ASP P 23 -9.354 -8.391 -8.836 1.00 0.00 C
|
| 92 |
+
ATOM 92 O ASP P 23 -9.680 -8.784 -8.521 1.00 0.00 O
|
| 93 |
+
ATOM 93 CA VAL P 24 -9.563 -11.082 -7.749 1.00 0.00 C
|
| 94 |
+
ATOM 94 N VAL P 24 -9.192 -9.760 -7.746 1.00 0.00 N
|
| 95 |
+
ATOM 95 C VAL P 24 -9.950 -12.458 -7.732 1.00 0.00 C
|
| 96 |
+
ATOM 96 O VAL P 24 -10.102 -13.001 -7.528 1.00 0.00 O
|
| 97 |
+
ATOM 97 CA GLY P 25 -9.356 -13.569 -10.461 1.00 0.00 C
|
| 98 |
+
ATOM 98 N GLY P 25 -9.438 -12.584 -8.886 1.00 0.00 N
|
| 99 |
+
ATOM 99 C GLY P 25 -9.270 -14.595 -12.079 1.00 0.00 C
|
| 100 |
+
ATOM 100 O GLY P 25 -9.236 -15.000 -12.520 1.00 0.00 O
|
| 101 |
+
ATOM 101 CA SER P 26 -7.329 -16.934 -10.836 1.00 0.00 C
|
| 102 |
+
ATOM 102 N SER P 26 -8.079 -15.689 -10.197 1.00 0.00 N
|
| 103 |
+
ATOM 103 C SER P 26 -6.548 -18.230 -11.480 1.00 0.00 C
|
| 104 |
+
ATOM 104 O SER P 26 -6.240 -18.742 -11.538 1.00 0.00 O
|
| 105 |
+
ATOM 105 CA ASN P 27 -4.221 -18.521 -8.755 1.00 0.00 C
|
| 106 |
+
ATOM 106 N ASN P 27 -5.338 -17.951 -9.003 1.00 0.00 N
|
| 107 |
+
ATOM 107 C ASN P 27 -3.058 -19.115 -8.477 1.00 0.00 C
|
| 108 |
+
ATOM 108 O ASN P 27 -2.599 -19.349 -8.170 1.00 0.00 O
|
| 109 |
+
ATOM 109 CA LYS P 28 -1.301 -15.915 -8.135 1.00 0.00 C
|
| 110 |
+
ATOM 110 N LYS P 28 -2.377 -16.875 -7.864 1.00 0.00 N
|
| 111 |
+
ATOM 111 C LYS P 28 -0.181 -14.915 -8.397 1.00 0.00 C
|
| 112 |
+
ATOM 112 O LYS P 28 0.261 -14.521 -8.303 1.00 0.00 O
|
| 113 |
+
ATOM 113 CA GLY P 29 -3.106 -12.627 -7.035 1.00 0.00 C
|
| 114 |
+
ATOM 114 N GLY P 29 -2.432 -13.855 -6.946 1.00 0.00 N
|
| 115 |
+
ATOM 115 C GLY P 29 -3.809 -11.349 -7.107 1.00 0.00 C
|
| 116 |
+
ATOM 116 O GLY P 29 -4.086 -10.844 -6.939 1.00 0.00 O
|
| 117 |
+
ATOM 117 CA ALA P 30 -4.071 -13.326 -3.312 1.00 0.00 C
|
| 118 |
+
ATOM 118 N ALA P 30 -3.711 -13.065 -4.202 1.00 0.00 N
|
| 119 |
+
ATOM 119 C ALA P 30 -4.446 -13.598 -2.364 1.00 0.00 C
|
| 120 |
+
ATOM 120 O ALA P 30 -4.594 -13.705 -1.793 1.00 0.00 O
|
| 121 |
+
ATOM 121 CA ILE P 31 -0.603 -13.121 -1.871 1.00 0.00 C
|
| 122 |
+
ATOM 122 N ILE P 31 -1.949 -13.201 -1.930 1.00 0.00 N
|
| 123 |
+
ATOM 123 C ILE P 31 0.799 -13.039 -1.789 1.00 0.00 C
|
| 124 |
+
ATOM 124 O ILE P 31 1.352 -13.006 -1.559 1.00 0.00 O
|
| 125 |
+
ATOM 125 CA ILE P 32 -0.056 -9.673 -3.333 1.00 0.00 C
|
| 126 |
+
ATOM 126 N ILE P 32 -0.267 -11.003 -2.269 1.00 0.00 N
|
| 127 |
+
ATOM 127 C ILE P 32 0.164 -8.288 -4.420 1.00 0.00 C
|
| 128 |
+
ATOM 128 O ILE P 32 0.251 -7.741 -4.651 1.00 0.00 O
|
| 129 |
+
ATOM 129 CA GLY P 33 -2.626 -7.758 -1.387 1.00 0.00 C
|
| 130 |
+
ATOM 130 N GLY P 33 -1.625 -8.504 -1.644 1.00 0.00 N
|
| 131 |
+
ATOM 131 C GLY P 33 -3.668 -6.982 -1.098 1.00 0.00 C
|
| 132 |
+
ATOM 132 O GLY P 33 -4.079 -6.675 -0.786 1.00 0.00 O
|
| 133 |
+
ATOM 133 CA LEU P 34 -1.750 -8.852 2.144 1.00 0.00 C
|
| 134 |
+
ATOM 134 N LEU P 34 -2.087 -8.432 1.287 1.00 0.00 N
|
| 135 |
+
ATOM 135 C LEU P 34 -1.400 -9.290 3.057 1.00 0.00 C
|
| 136 |
+
ATOM 136 O LEU P 34 -1.262 -9.463 3.615 1.00 0.00 O
|
| 137 |
+
ATOM 137 CA MET P 35 1.756 -8.036 1.150 1.00 0.00 C
|
| 138 |
+
ATOM 138 N MET P 35 0.385 -8.355 2.039 1.00 0.00 N
|
| 139 |
+
ATOM 139 C MET P 35 3.183 -7.703 0.245 1.00 0.00 C
|
| 140 |
+
ATOM 140 O MET P 35 3.746 -7.572 0.086 1.00 0.00 O
|
| 141 |
+
ATOM 141 CA VAL P 36 0.786 -4.588 0.116 1.00 0.00 C
|
| 142 |
+
ATOM 142 N VAL P 36 1.166 -5.938 1.021 1.00 0.00 N
|
| 143 |
+
ATOM 143 C VAL P 36 0.390 -3.182 -0.806 1.00 0.00 C
|
| 144 |
+
ATOM 144 O VAL P 36 0.234 -2.627 -0.972 1.00 0.00 O
|
| 145 |
+
ATOM 145 CA GLY P 37 -0.713 -3.245 3.174 1.00 0.00 C
|
| 146 |
+
ATOM 146 N GLY P 37 -0.115 -3.781 2.454 1.00 0.00 N
|
| 147 |
+
ATOM 147 C GLY P 37 -1.336 -2.688 3.943 1.00 0.00 C
|
| 148 |
+
ATOM 148 O GLY P 37 -1.581 -2.467 4.445 1.00 0.00 O
|
| 149 |
+
ATOM 149 CA GLY P 38 2.220 -4.399 5.278 1.00 0.00 C
|
| 150 |
+
ATOM 150 N GLY P 38 1.090 -3.954 4.968 1.00 0.00 N
|
| 151 |
+
ATOM 151 C GLY P 38 3.397 -4.861 5.622 1.00 0.00 C
|
| 152 |
+
ATOM 152 O GLY P 38 3.861 -5.044 5.955 1.00 0.00 O
|
| 153 |
+
ATOM 153 CA VAL P 39 0.310 -6.225 7.775 1.00 0.00 C
|
| 154 |
+
ATOM 154 N VAL P 39 1.077 -5.492 7.272 1.00 0.00 N
|
| 155 |
+
ATOM 155 C VAL P 39 -0.489 -6.989 8.319 1.00 0.00 C
|
| 156 |
+
ATOM 156 O VAL P 39 -0.805 -7.290 8.731 1.00 0.00 O
|
| 157 |
+
ATOM 157 CA VAL P 40 1.489 -9.914 7.152 1.00 0.00 C
|
| 158 |
+
ATOM 158 N VAL P 40 1.050 -8.541 7.884 1.00 0.00 N
|
| 159 |
+
ATOM 159 C VAL P 40 1.946 -11.343 6.411 1.00 0.00 C
|
| 160 |
+
ATOM 160 O VAL P 40 2.126 -11.907 6.316 1.00 0.00 O
|
| 161 |
+
ATOM 161 CA ILE P 41 -0.605 -10.943 10.003 1.00 0.00 C
|
| 162 |
+
ATOM 162 N ILE P 41 0.224 -10.535 9.373 1.00 0.00 N
|
| 163 |
+
ATOM 163 C ILE P 41 -1.469 -11.368 10.679 1.00 0.00 C
|
| 164 |
+
ATOM 164 O ILE P 41 -1.811 -11.536 11.143 1.00 0.00 O
|
| 165 |
+
ATOM 165 CA ALA P 42 1.456 -13.973 11.169 1.00 0.00 C
|
| 166 |
+
ATOM 166 N ALA P 42 0.673 -12.823 11.226 1.00 0.00 N
|
| 167 |
+
ATOM 167 C ALA P 42 2.271 -15.171 11.130 1.00 0.00 C
|
| 168 |
+
ATOM 168 O ALA P 42 2.592 -15.644 11.312 1.00 0.00 O
|
| 169 |
+
TER 169 ALA P 42
|
| 170 |
+
END
|
abeta_conformations/pdbs/abeta42_seed2_42.pdb
ADDED
|
@@ -0,0 +1,170 @@
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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 |
+
ATOM 1 CA ASP P 1 10.853 28.389 21.467 1.00 0.00 C
|
| 2 |
+
ATOM 2 N ASP P 1 11.800 29.286 21.312 1.00 0.00 N
|
| 3 |
+
ATOM 3 C ASP P 1 9.868 27.454 21.649 1.00 0.00 C
|
| 4 |
+
ATOM 4 O ASP P 1 9.478 27.085 21.919 1.00 0.00 O
|
| 5 |
+
ATOM 5 CA ALA P 2 8.256 25.926 23.265 1.00 0.00 C
|
| 6 |
+
ATOM 6 N ALA P 2 9.202 26.824 23.110 1.00 0.00 N
|
| 7 |
+
ATOM 7 C ALA P 2 7.270 24.991 23.447 1.00 0.00 C
|
| 8 |
+
ATOM 8 O ALA P 2 6.881 24.622 23.717 1.00 0.00 O
|
| 9 |
+
ATOM 9 CA GLU P 3 4.657 26.772 21.661 1.00 0.00 C
|
| 10 |
+
ATOM 10 N GLU P 3 5.960 26.466 22.742 1.00 0.00 N
|
| 11 |
+
ATOM 11 C GLU P 3 3.299 27.092 20.555 1.00 0.00 C
|
| 12 |
+
ATOM 12 O GLU P 3 2.764 27.218 20.317 1.00 0.00 O
|
| 13 |
+
ATOM 13 CA PHE P 4 3.777 22.703 21.602 1.00 0.00 C
|
| 14 |
+
ATOM 14 N PHE P 4 4.085 24.130 22.122 1.00 0.00 N
|
| 15 |
+
ATOM 15 C PHE P 4 3.456 21.217 21.080 1.00 0.00 C
|
| 16 |
+
ATOM 16 O PHE P 4 3.329 20.631 21.072 1.00 0.00 O
|
| 17 |
+
ATOM 17 CA ARG P 5 0.439 20.933 21.272 1.00 0.00 C
|
| 18 |
+
ATOM 18 N ARG P 5 1.724 21.614 21.899 1.00 0.00 N
|
| 19 |
+
ATOM 19 C ARG P 5 -0.899 20.223 20.640 1.00 0.00 C
|
| 20 |
+
ATOM 20 O ARG P 5 -1.427 19.943 20.588 1.00 0.00 O
|
| 21 |
+
ATOM 21 CA HIS P 6 -2.631 20.821 19.320 1.00 0.00 C
|
| 22 |
+
ATOM 22 N HIS P 6 -1.399 20.866 20.603 1.00 0.00 N
|
| 23 |
+
ATOM 23 C HIS P 6 -3.913 20.774 18.004 1.00 0.00 C
|
| 24 |
+
ATOM 24 O HIS P 6 -4.419 20.755 17.683 1.00 0.00 O
|
| 25 |
+
ATOM 25 CA ASP P 7 -4.518 18.926 16.523 1.00 0.00 C
|
| 26 |
+
ATOM 26 N ASP P 7 -3.806 19.641 18.079 1.00 0.00 N
|
| 27 |
+
ATOM 27 C ASP P 7 -5.260 18.182 14.925 1.00 0.00 C
|
| 28 |
+
ATOM 28 O ASP P 7 -5.553 17.888 14.491 1.00 0.00 O
|
| 29 |
+
ATOM 29 CA SER P 8 -4.561 16.085 13.994 1.00 0.00 C
|
| 30 |
+
ATOM 30 N SER P 8 -4.545 17.175 15.465 1.00 0.00 N
|
| 31 |
+
ATOM 31 C SER P 8 -4.578 14.950 12.483 1.00 0.00 C
|
| 32 |
+
ATOM 32 O SER P 8 -4.585 14.502 12.084 1.00 0.00 O
|
| 33 |
+
ATOM 33 CA GLY P 9 -5.926 17.096 10.844 1.00 0.00 C
|
| 34 |
+
ATOM 34 N GLY P 9 -5.369 16.684 12.629 1.00 0.00 N
|
| 35 |
+
ATOM 35 C GLY P 9 -6.505 17.526 9.006 1.00 0.00 C
|
| 36 |
+
ATOM 36 O GLY P 9 -6.734 17.695 8.478 1.00 0.00 O
|
| 37 |
+
ATOM 37 CA TYR P 10 -5.116 14.121 8.550 1.00 0.00 C
|
| 38 |
+
ATOM 38 N TYR P 10 -5.424 15.251 9.921 1.00 0.00 N
|
| 39 |
+
ATOM 39 C TYR P 10 -4.796 12.944 7.143 1.00 0.00 C
|
| 40 |
+
ATOM 40 O TYR P 10 -4.669 12.479 6.785 1.00 0.00 O
|
| 41 |
+
ATOM 41 CA GLU P 11 -4.875 15.934 5.314 1.00 0.00 C
|
| 42 |
+
ATOM 42 N GLU P 11 -4.970 15.222 7.085 1.00 0.00 N
|
| 43 |
+
ATOM 43 C GLU P 11 -4.777 16.676 3.491 1.00 0.00 C
|
| 44 |
+
ATOM 44 O GLU P 11 -4.738 16.969 2.969 1.00 0.00 O
|
| 45 |
+
ATOM 45 CA VAL P 12 -4.530 12.740 3.425 1.00 0.00 C
|
| 46 |
+
ATOM 46 N VAL P 12 -4.665 13.991 4.665 1.00 0.00 N
|
| 47 |
+
ATOM 47 C VAL P 12 -4.389 11.437 2.155 1.00 0.00 C
|
| 48 |
+
ATOM 48 O VAL P 12 -4.334 10.923 1.851 1.00 0.00 O
|
| 49 |
+
ATOM 49 CA HIS P 13 -2.754 14.562 0.693 1.00 0.00 C
|
| 50 |
+
ATOM 50 N HIS P 13 -3.448 13.850 2.261 1.00 0.00 N
|
| 51 |
+
ATOM 51 C HIS P 13 -2.031 15.304 -0.919 1.00 0.00 C
|
| 52 |
+
ATOM 52 O HIS P 13 -1.745 15.597 -1.358 1.00 0.00 O
|
| 53 |
+
ATOM 53 CA HIS P 14 -2.905 13.254 -2.849 1.00 0.00 C
|
| 54 |
+
ATOM 54 N HIS P 14 -2.847 13.760 -0.981 1.00 0.00 N
|
| 55 |
+
ATOM 55 C HIS P 14 -2.966 12.729 -4.774 1.00 0.00 C
|
| 56 |
+
ATOM 56 O HIS P 14 -2.990 12.521 -5.337 1.00 0.00 O
|
| 57 |
+
ATOM 57 CA GLN P 15 0.633 11.944 -3.038 1.00 0.00 C
|
| 58 |
+
ATOM 58 N GLN P 15 -0.735 12.451 -2.465 1.00 0.00 N
|
| 59 |
+
ATOM 59 C GLN P 15 2.056 11.417 -3.614 1.00 0.00 C
|
| 60 |
+
ATOM 60 O GLN P 15 2.618 11.209 -3.644 1.00 0.00 O
|
| 61 |
+
ATOM 61 CA LYS P 16 1.024 9.333 -6.018 1.00 0.00 C
|
| 62 |
+
ATOM 62 N LYS P 16 0.881 10.291 -4.425 1.00 0.00 N
|
| 63 |
+
ATOM 63 C LYS P 16 1.174 8.336 -7.655 1.00 0.00 C
|
| 64 |
+
ATOM 64 O LYS P 16 1.233 7.943 -8.104 1.00 0.00 O
|
| 65 |
+
ATOM 65 CA LEU P 17 0.284 6.171 -4.088 1.00 0.00 C
|
| 66 |
+
ATOM 66 N LEU P 17 0.570 7.393 -4.334 1.00 0.00 N
|
| 67 |
+
ATOM 67 C LEU P 17 -0.014 4.898 -3.812 1.00 0.00 C
|
| 68 |
+
ATOM 68 O LEU P 17 -0.132 4.396 -3.505 1.00 0.00 O
|
| 69 |
+
ATOM 69 CA VAL P 18 -0.230 5.299 -7.715 1.00 0.00 C
|
| 70 |
+
ATOM 70 N VAL P 18 -0.031 5.637 -5.808 1.00 0.00 N
|
| 71 |
+
ATOM 71 C VAL P 18 -0.437 4.946 -9.679 1.00 0.00 C
|
| 72 |
+
ATOM 72 O VAL P 18 -0.519 4.808 -10.257 1.00 0.00 O
|
| 73 |
+
ATOM 73 CA PHE P 19 1.955 2.391 -6.748 1.00 0.00 C
|
| 74 |
+
ATOM 74 N PHE P 19 1.108 3.519 -6.623 1.00 0.00 N
|
| 75 |
+
ATOM 75 C PHE P 19 2.838 1.216 -6.857 1.00 0.00 C
|
| 76 |
+
ATOM 76 O PHE P 19 3.186 0.753 -6.703 1.00 0.00 O
|
| 77 |
+
ATOM 77 CA PHE P 20 1.322 -1.476 -7.593 1.00 0.00 C
|
| 78 |
+
ATOM 78 N PHE P 20 1.553 -0.068 -6.785 1.00 0.00 N
|
| 79 |
+
ATOM 79 C PHE P 20 1.082 -2.942 -8.413 1.00 0.00 C
|
| 80 |
+
ATOM 80 O PHE P 20 0.988 -3.521 -8.540 1.00 0.00 O
|
| 81 |
+
ATOM 81 CA ALA P 21 -2.447 -1.350 -7.592 1.00 0.00 C
|
| 82 |
+
ATOM 82 N ALA P 21 -0.988 -1.399 -7.092 1.00 0.00 N
|
| 83 |
+
ATOM 83 C ALA P 21 -3.966 -1.299 -8.092 1.00 0.00 C
|
| 84 |
+
ATOM 84 O ALA P 21 -4.566 -1.279 -8.091 1.00 0.00 O
|
| 85 |
+
ATOM 85 CA GLU P 22 -3.667 -3.071 -10.785 1.00 0.00 C
|
| 86 |
+
ATOM 86 N GLU P 22 -3.202 -2.414 -9.067 1.00 0.00 N
|
| 87 |
+
ATOM 87 C GLU P 22 -4.152 -3.754 -12.553 1.00 0.00 C
|
| 88 |
+
ATOM 88 O GLU P 22 -4.344 -4.024 -13.053 1.00 0.00 O
|
| 89 |
+
ATOM 89 CA ASP P 23 -2.657 -6.317 -12.317 1.00 0.00 C
|
| 90 |
+
ATOM 90 N ASP P 23 -3.052 -5.047 -11.217 1.00 0.00 N
|
| 91 |
+
ATOM 91 C ASP P 23 -2.245 -7.641 -13.442 1.00 0.00 C
|
| 92 |
+
ATOM 92 O ASP P 23 -2.083 -8.163 -13.689 1.00 0.00 O
|
| 93 |
+
ATOM 93 CA VAL P 24 -4.230 -8.726 -9.675 1.00 0.00 C
|
| 94 |
+
ATOM 94 N VAL P 24 -3.642 -7.825 -10.163 1.00 0.00 N
|
| 95 |
+
ATOM 95 C VAL P 24 -4.842 -9.663 -9.147 1.00 0.00 C
|
| 96 |
+
ATOM 96 O VAL P 24 -5.084 -10.033 -8.741 1.00 0.00 O
|
| 97 |
+
ATOM 97 CA GLY P 25 -5.656 -10.364 -12.663 1.00 0.00 C
|
| 98 |
+
ATOM 98 N GLY P 25 -5.092 -9.716 -10.982 1.00 0.00 N
|
| 99 |
+
ATOM 99 C GLY P 25 -6.243 -11.038 -14.392 1.00 0.00 C
|
| 100 |
+
ATOM 100 O GLY P 25 -6.475 -11.304 -14.878 1.00 0.00 O
|
| 101 |
+
ATOM 101 CA SER P 26 -5.400 -14.257 -13.592 1.00 0.00 C
|
| 102 |
+
ATOM 102 N SER P 26 -5.493 -12.840 -12.754 1.00 0.00 N
|
| 103 |
+
ATOM 103 C SER P 26 -5.302 -15.732 -14.444 1.00 0.00 C
|
| 104 |
+
ATOM 104 O SER P 26 -5.264 -16.315 -14.583 1.00 0.00 O
|
| 105 |
+
ATOM 105 CA ASN P 27 -2.673 -16.344 -12.230 1.00 0.00 C
|
| 106 |
+
ATOM 106 N ASN P 27 -3.751 -15.519 -12.268 1.00 0.00 N
|
| 107 |
+
ATOM 107 C ASN P 27 -1.551 -17.203 -12.170 1.00 0.00 C
|
| 108 |
+
ATOM 108 O ASN P 27 -1.108 -17.542 -11.949 1.00 0.00 O
|
| 109 |
+
ATOM 109 CA LYS P 28 -1.636 -17.722 -8.494 1.00 0.00 C
|
| 110 |
+
ATOM 110 N LYS P 28 -2.004 -17.233 -9.320 1.00 0.00 N
|
| 111 |
+
ATOM 111 C LYS P 28 -1.253 -18.231 -7.614 1.00 0.00 C
|
| 112 |
+
ATOM 112 O LYS P 28 -1.102 -18.432 -7.069 1.00 0.00 O
|
| 113 |
+
ATOM 113 CA GLY P 29 -4.550 -17.675 -5.328 1.00 0.00 C
|
| 114 |
+
ATOM 114 N GLY P 29 -3.561 -17.691 -5.902 1.00 0.00 N
|
| 115 |
+
ATOM 115 C GLY P 29 -5.579 -17.658 -4.709 1.00 0.00 C
|
| 116 |
+
ATOM 116 O GLY P 29 -5.985 -17.651 -4.268 1.00 0.00 O
|
| 117 |
+
ATOM 117 CA ALA P 30 -3.319 -18.785 -1.665 1.00 0.00 C
|
| 118 |
+
ATOM 118 N ALA P 30 -3.766 -18.382 -2.495 1.00 0.00 N
|
| 119 |
+
ATOM 119 C ALA P 30 -2.854 -19.205 -0.780 1.00 0.00 C
|
| 120 |
+
ATOM 120 O ALA P 30 -2.670 -19.370 -0.233 1.00 0.00 O
|
| 121 |
+
ATOM 121 CA ILE P 31 -0.220 -17.212 -0.326 1.00 0.00 C
|
| 122 |
+
ATOM 122 N ILE P 31 -1.434 -17.828 -0.351 1.00 0.00 N
|
| 123 |
+
ATOM 123 C ILE P 31 1.045 -16.570 -0.279 1.00 0.00 C
|
| 124 |
+
ATOM 124 O ILE P 31 1.544 -16.316 -0.063 1.00 0.00 O
|
| 125 |
+
ATOM 125 CA ILE P 32 -0.948 -13.572 -0.658 1.00 0.00 C
|
| 126 |
+
ATOM 126 N ILE P 32 -0.663 -14.997 -0.027 1.00 0.00 N
|
| 127 |
+
ATOM 127 C ILE P 32 -1.246 -12.087 -1.293 1.00 0.00 C
|
| 128 |
+
ATOM 128 O ILE P 32 -1.363 -11.501 -1.346 1.00 0.00 O
|
| 129 |
+
ATOM 129 CA GLY P 33 -3.701 -13.454 1.912 1.00 0.00 C
|
| 130 |
+
ATOM 130 N GLY P 33 -2.634 -13.499 1.416 1.00 0.00 N
|
| 131 |
+
ATOM 131 C GLY P 33 -4.812 -13.406 2.448 1.00 0.00 C
|
| 132 |
+
ATOM 132 O GLY P 33 -5.250 -13.387 2.857 1.00 0.00 O
|
| 133 |
+
ATOM 133 CA LEU P 34 -0.980 -13.553 4.631 1.00 0.00 C
|
| 134 |
+
ATOM 134 N LEU P 34 -2.013 -13.515 4.099 1.00 0.00 N
|
| 135 |
+
ATOM 135 C LEU P 34 0.095 -13.592 5.205 1.00 0.00 C
|
| 136 |
+
ATOM 136 O LEU P 34 0.519 -13.607 5.629 1.00 0.00 O
|
| 137 |
+
ATOM 137 CA MET P 35 0.655 -10.663 2.802 1.00 0.00 C
|
| 138 |
+
ATOM 138 N MET P 35 0.025 -11.776 4.007 1.00 0.00 N
|
| 139 |
+
ATOM 139 C MET P 35 1.311 -9.504 1.569 1.00 0.00 C
|
| 140 |
+
ATOM 140 O MET P 35 1.569 -9.047 1.280 1.00 0.00 O
|
| 141 |
+
ATOM 141 CA VAL P 36 -2.221 -8.765 4.302 1.00 0.00 C
|
| 142 |
+
ATOM 142 N VAL P 36 -1.104 -9.503 4.219 1.00 0.00 N
|
| 143 |
+
ATOM 143 C VAL P 36 -3.384 -7.998 4.408 1.00 0.00 C
|
| 144 |
+
ATOM 144 O VAL P 36 -3.844 -7.695 4.647 1.00 0.00 O
|
| 145 |
+
ATOM 145 CA GLY P 37 -1.013 -6.882 7.653 1.00 0.00 C
|
| 146 |
+
ATOM 146 N GLY P 37 -1.451 -7.564 6.939 1.00 0.00 N
|
| 147 |
+
ATOM 147 C GLY P 37 -0.557 -6.171 8.417 1.00 0.00 C
|
| 148 |
+
ATOM 148 O GLY P 37 -0.377 -5.891 8.916 1.00 0.00 O
|
| 149 |
+
ATOM 149 CA GLY P 38 2.753 -7.861 7.512 1.00 0.00 C
|
| 150 |
+
ATOM 150 N GLY P 38 1.341 -7.494 8.065 1.00 0.00 N
|
| 151 |
+
ATOM 151 C GLY P 38 4.223 -8.243 6.956 1.00 0.00 C
|
| 152 |
+
ATOM 152 O GLY P 38 4.803 -8.394 6.935 1.00 0.00 O
|
| 153 |
+
ATOM 153 CA VAL P 39 2.310 -11.248 9.092 1.00 0.00 C
|
| 154 |
+
ATOM 154 N VAL P 39 2.482 -9.934 8.979 1.00 0.00 N
|
| 155 |
+
ATOM 155 C VAL P 39 2.132 -12.616 9.230 1.00 0.00 C
|
| 156 |
+
ATOM 156 O VAL P 39 2.061 -13.155 9.482 1.00 0.00 O
|
| 157 |
+
ATOM 157 CA VAL P 40 3.329 -13.856 6.315 1.00 0.00 C
|
| 158 |
+
ATOM 158 N VAL P 40 2.952 -12.891 7.843 1.00 0.00 N
|
| 159 |
+
ATOM 159 C VAL P 40 3.721 -14.862 4.745 1.00 0.00 C
|
| 160 |
+
ATOM 160 O VAL P 40 3.876 -15.259 4.322 1.00 0.00 O
|
| 161 |
+
ATOM 161 CA ILE P 41 1.878 -16.737 8.207 1.00 0.00 C
|
| 162 |
+
ATOM 162 N ILE P 41 2.444 -15.613 7.968 1.00 0.00 N
|
| 163 |
+
ATOM 163 C ILE P 41 1.288 -17.908 8.476 1.00 0.00 C
|
| 164 |
+
ATOM 164 O ILE P 41 1.055 -18.371 8.780 1.00 0.00 O
|
| 165 |
+
ATOM 165 CA ALA P 42 3.855 -19.684 6.554 1.00 0.00 C
|
| 166 |
+
ATOM 166 N ALA P 42 3.118 -18.586 7.670 1.00 0.00 N
|
| 167 |
+
ATOM 167 C ALA P 42 4.623 -20.829 5.412 1.00 0.00 C
|
| 168 |
+
ATOM 168 O ALA P 42 4.926 -21.280 5.159 1.00 0.00 O
|
| 169 |
+
TER 169 ALA P 42
|
| 170 |
+
END
|
abeta_conformations/pdbs/abeta42_seed3_42.pdb
ADDED
|
@@ -0,0 +1,170 @@
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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 |
+
ATOM 1 CA ASP P 1 -17.518 38.319 15.264 1.00 0.00 C
|
| 2 |
+
ATOM 2 N ASP P 1 -17.383 39.088 16.998 1.00 0.00 N
|
| 3 |
+
ATOM 3 C ASP P 1 -17.659 37.518 13.479 1.00 0.00 C
|
| 4 |
+
ATOM 4 O ASP P 1 -17.714 37.203 12.972 1.00 0.00 O
|
| 5 |
+
ATOM 5 CA ALA P 2 -17.883 36.243 11.933 1.00 0.00 C
|
| 6 |
+
ATOM 6 N ALA P 2 -17.748 37.012 13.667 1.00 0.00 N
|
| 7 |
+
ATOM 7 C ALA P 2 -18.023 35.443 10.148 1.00 0.00 C
|
| 8 |
+
ATOM 8 O ALA P 2 -18.079 35.127 9.641 1.00 0.00 O
|
| 9 |
+
ATOM 9 CA GLU P 3 -17.146 32.434 13.377 1.00 0.00 C
|
| 10 |
+
ATOM 10 N GLU P 3 -17.406 33.778 13.368 1.00 0.00 N
|
| 11 |
+
ATOM 11 C GLU P 3 -16.876 31.036 13.408 1.00 0.00 C
|
| 12 |
+
ATOM 12 O GLU P 3 -16.769 30.484 13.617 1.00 0.00 O
|
| 13 |
+
ATOM 13 CA PHE P 4 -18.256 29.654 10.653 1.00 0.00 C
|
| 14 |
+
ATOM 14 N PHE P 4 -17.856 30.657 12.136 1.00 0.00 N
|
| 15 |
+
ATOM 15 C PHE P 4 -18.673 28.609 9.130 1.00 0.00 C
|
| 16 |
+
ATOM 16 O PHE P 4 -18.837 28.197 8.726 1.00 0.00 O
|
| 17 |
+
ATOM 17 CA ARG P 5 -16.978 27.084 8.246 1.00 0.00 C
|
| 18 |
+
ATOM 18 N ARG P 5 -17.476 28.086 9.684 1.00 0.00 N
|
| 19 |
+
ATOM 19 C ARG P 5 -16.460 26.041 6.770 1.00 0.00 C
|
| 20 |
+
ATOM 20 O ARG P 5 -16.255 25.629 6.384 1.00 0.00 O
|
| 21 |
+
ATOM 21 CA HIS P 6 -16.032 23.298 8.846 1.00 0.00 C
|
| 22 |
+
ATOM 22 N HIS P 6 -16.382 24.698 9.124 1.00 0.00 N
|
| 23 |
+
ATOM 23 C HIS P 6 -15.668 21.840 8.577 1.00 0.00 C
|
| 24 |
+
ATOM 24 O HIS P 6 -15.525 21.265 8.668 1.00 0.00 O
|
| 25 |
+
ATOM 25 CA ASP P 7 -13.429 20.575 9.867 1.00 0.00 C
|
| 26 |
+
ATOM 26 N ASP P 7 -14.403 21.594 9.985 1.00 0.00 N
|
| 27 |
+
ATOM 27 C ASP P 7 -12.415 19.515 9.765 1.00 0.00 C
|
| 28 |
+
ATOM 28 O ASP P 7 -12.015 19.097 9.922 1.00 0.00 O
|
| 29 |
+
ATOM 29 CA SER P 8 -12.100 19.650 6.639 1.00 0.00 C
|
| 30 |
+
ATOM 30 N SER P 8 -12.637 20.024 8.444 1.00 0.00 N
|
| 31 |
+
ATOM 31 C SER P 8 -11.541 19.260 4.780 1.00 0.00 C
|
| 32 |
+
ATOM 32 O SER P 8 -11.320 19.107 4.244 1.00 0.00 O
|
| 33 |
+
ATOM 33 CA GLY P 9 -11.492 15.999 7.895 1.00 0.00 C
|
| 34 |
+
ATOM 34 N GLY P 9 -11.719 17.363 7.926 1.00 0.00 N
|
| 35 |
+
ATOM 35 C GLY P 9 -11.256 14.579 7.884 1.00 0.00 C
|
| 36 |
+
ATOM 36 O GLY P 9 -11.163 14.018 8.076 1.00 0.00 O
|
| 37 |
+
ATOM 37 CA TYR P 10 -7.823 14.944 8.324 1.00 0.00 C
|
| 38 |
+
ATOM 38 N TYR P 10 -9.217 15.345 8.661 1.00 0.00 N
|
| 39 |
+
ATOM 39 C TYR P 10 -6.371 14.526 7.994 1.00 0.00 C
|
| 40 |
+
ATOM 40 O TYR P 10 -5.798 14.361 8.061 1.00 0.00 O
|
| 41 |
+
ATOM 41 CA GLU P 11 -8.763 11.317 7.726 1.00 0.00 C
|
| 42 |
+
ATOM 42 N GLU P 11 -8.401 12.712 8.456 1.00 0.00 N
|
| 43 |
+
ATOM 43 C GLU P 11 -9.139 9.864 6.987 1.00 0.00 C
|
| 44 |
+
ATOM 44 O GLU P 11 -9.288 9.290 6.892 1.00 0.00 O
|
| 45 |
+
ATOM 45 CA VAL P 12 -6.495 10.880 5.085 1.00 0.00 C
|
| 46 |
+
ATOM 46 N VAL P 12 -7.438 11.062 6.684 1.00 0.00 N
|
| 47 |
+
ATOM 47 C VAL P 12 -5.512 10.690 3.441 1.00 0.00 C
|
| 48 |
+
ATOM 48 O VAL P 12 -5.124 10.616 2.989 1.00 0.00 O
|
| 49 |
+
ATOM 49 CA HIS P 13 -7.112 6.956 5.102 1.00 0.00 C
|
| 50 |
+
ATOM 50 N HIS P 13 -6.885 8.399 5.596 1.00 0.00 N
|
| 51 |
+
ATOM 51 C HIS P 13 -7.348 5.455 4.609 1.00 0.00 C
|
| 52 |
+
ATOM 52 O HIS P 13 -7.442 4.862 4.612 1.00 0.00 O
|
| 53 |
+
ATOM 53 CA HIS P 14 -3.819 5.319 5.622 1.00 0.00 C
|
| 54 |
+
ATOM 54 N HIS P 14 -5.114 5.963 5.918 1.00 0.00 N
|
| 55 |
+
ATOM 55 C HIS P 14 -2.471 4.649 5.335 1.00 0.00 C
|
| 56 |
+
ATOM 56 O HIS P 14 -1.939 4.385 5.419 1.00 0.00 O
|
| 57 |
+
ATOM 57 CA GLN P 15 -2.450 1.676 4.411 1.00 0.00 C
|
| 58 |
+
ATOM 58 N GLN P 15 -2.940 2.981 5.345 1.00 0.00 N
|
| 59 |
+
ATOM 59 C GLN P 15 -1.939 0.318 3.460 1.00 0.00 C
|
| 60 |
+
ATOM 60 O GLN P 15 -1.738 -0.219 3.282 1.00 0.00 O
|
| 61 |
+
ATOM 61 CA LYS P 16 -5.448 0.192 2.453 1.00 0.00 C
|
| 62 |
+
ATOM 62 N LYS P 16 -4.318 0.751 3.690 1.00 0.00 N
|
| 63 |
+
ATOM 63 C LYS P 16 -6.623 -0.389 1.185 1.00 0.00 C
|
| 64 |
+
ATOM 64 O LYS P 16 -7.087 -0.619 0.881 1.00 0.00 O
|
| 65 |
+
ATOM 65 CA LEU P 17 -2.644 -0.599 0.153 1.00 0.00 C
|
| 66 |
+
ATOM 66 N LEU P 17 -3.747 -0.288 1.558 1.00 0.00 N
|
| 67 |
+
ATOM 67 C LEU P 17 -1.496 -0.923 -1.289 1.00 0.00 C
|
| 68 |
+
ATOM 68 O LEU P 17 -1.043 -1.051 -1.661 1.00 0.00 O
|
| 69 |
+
ATOM 69 CA VAL P 18 -3.016 -3.875 1.979 1.00 0.00 C
|
| 70 |
+
ATOM 70 N VAL P 18 -2.872 -2.606 1.772 1.00 0.00 N
|
| 71 |
+
ATOM 71 C VAL P 18 -3.166 -5.196 2.216 1.00 0.00 C
|
| 72 |
+
ATOM 72 O VAL P 18 -3.225 -5.717 2.506 1.00 0.00 O
|
| 73 |
+
ATOM 73 CA PHE P 19 -6.110 -4.512 -0.001 1.00 0.00 C
|
| 74 |
+
ATOM 74 N PHE P 19 -4.898 -4.263 1.275 1.00 0.00 N
|
| 75 |
+
ATOM 75 C PHE P 19 -7.371 -4.772 -1.308 1.00 0.00 C
|
| 76 |
+
ATOM 76 O PHE P 19 -7.869 -4.875 -1.626 1.00 0.00 O
|
| 77 |
+
ATOM 77 CA PHE P 20 -4.823 -4.595 -3.588 1.00 0.00 C
|
| 78 |
+
ATOM 78 N PHE P 20 -5.316 -4.563 -1.714 1.00 0.00 N
|
| 79 |
+
ATOM 79 C PHE P 20 -4.311 -4.628 -5.519 1.00 0.00 C
|
| 80 |
+
ATOM 80 O PHE P 20 -4.108 -4.641 -6.083 1.00 0.00 O
|
| 81 |
+
ATOM 81 CA ALA P 21 -1.689 -6.946 -3.548 1.00 0.00 C
|
| 82 |
+
ATOM 82 N ALA P 21 -2.857 -6.070 -3.063 1.00 0.00 N
|
| 83 |
+
ATOM 83 C ALA P 21 -0.473 -7.858 -4.033 1.00 0.00 C
|
| 84 |
+
ATOM 84 O ALA P 21 0.007 -8.219 -4.027 1.00 0.00 O
|
| 85 |
+
ATOM 85 CA GLU P 22 -3.258 -9.629 -1.474 1.00 0.00 C
|
| 86 |
+
ATOM 86 N GLU P 22 -2.645 -8.580 -1.785 1.00 0.00 N
|
| 87 |
+
ATOM 87 C GLU P 22 -3.896 -10.720 -1.131 1.00 0.00 C
|
| 88 |
+
ATOM 88 O GLU P 22 -4.148 -11.151 -0.798 1.00 0.00 O
|
| 89 |
+
ATOM 89 CA ASP P 23 -4.544 -10.518 -4.702 1.00 0.00 C
|
| 90 |
+
ATOM 90 N ASP P 23 -4.021 -10.156 -2.888 1.00 0.00 N
|
| 91 |
+
ATOM 91 C ASP P 23 -5.090 -10.895 -6.570 1.00 0.00 C
|
| 92 |
+
ATOM 92 O ASP P 23 -5.305 -11.044 -7.110 1.00 0.00 O
|
| 93 |
+
ATOM 93 CA VAL P 24 -0.929 -11.086 -5.813 1.00 0.00 C
|
| 94 |
+
ATOM 94 N VAL P 24 -2.309 -10.869 -4.889 1.00 0.00 N
|
| 95 |
+
ATOM 95 C VAL P 24 0.508 -11.311 -6.754 1.00 0.00 C
|
| 96 |
+
ATOM 96 O VAL P 24 1.075 -11.400 -6.929 1.00 0.00 O
|
| 97 |
+
ATOM 97 CA GLY P 25 -1.557 -13.761 -3.513 1.00 0.00 C
|
| 98 |
+
ATOM 98 N GLY P 25 -1.301 -12.671 -3.950 1.00 0.00 N
|
| 99 |
+
ATOM 99 C GLY P 25 -1.823 -14.895 -3.037 1.00 0.00 C
|
| 100 |
+
ATOM 100 O GLY P 25 -1.928 -15.343 -2.652 1.00 0.00 O
|
| 101 |
+
ATOM 101 CA SER P 26 -1.195 -17.158 -5.192 1.00 0.00 C
|
| 102 |
+
ATOM 102 N SER P 26 -1.333 -15.855 -4.048 1.00 0.00 N
|
| 103 |
+
ATOM 103 C SER P 26 -1.050 -18.514 -6.363 1.00 0.00 C
|
| 104 |
+
ATOM 104 O SER P 26 -0.993 -19.049 -6.627 1.00 0.00 O
|
| 105 |
+
ATOM 105 CA ASN P 27 -0.442 -17.054 -9.019 1.00 0.00 C
|
| 106 |
+
ATOM 106 N ASN P 27 -0.724 -17.093 -7.087 1.00 0.00 N
|
| 107 |
+
ATOM 107 C ASN P 27 -0.149 -17.014 -11.010 1.00 0.00 C
|
| 108 |
+
ATOM 108 O ASN P 27 -0.033 -16.999 -11.599 1.00 0.00 O
|
| 109 |
+
ATOM 109 CA LYS P 28 2.980 -15.374 -8.271 1.00 0.00 C
|
| 110 |
+
ATOM 110 N LYS P 28 1.694 -16.006 -8.053 1.00 0.00 N
|
| 111 |
+
ATOM 111 C LYS P 28 4.318 -14.717 -8.479 1.00 0.00 C
|
| 112 |
+
ATOM 112 O LYS P 28 4.847 -14.457 -8.363 1.00 0.00 O
|
| 113 |
+
ATOM 113 CA GLY P 29 4.214 -11.570 -9.815 1.00 0.00 C
|
| 114 |
+
ATOM 114 N GLY P 29 3.793 -12.865 -8.790 1.00 0.00 N
|
| 115 |
+
ATOM 115 C GLY P 29 4.651 -10.221 -10.863 1.00 0.00 C
|
| 116 |
+
ATOM 116 O GLY P 29 4.824 -9.688 -11.079 1.00 0.00 O
|
| 117 |
+
ATOM 117 CA ALA P 30 1.571 -10.914 -12.645 1.00 0.00 C
|
| 118 |
+
ATOM 118 N ALA P 30 2.554 -11.158 -11.093 1.00 0.00 N
|
| 119 |
+
ATOM 119 C ALA P 30 0.548 -10.660 -14.240 1.00 0.00 C
|
| 120 |
+
ATOM 120 O ALA P 30 0.144 -10.560 -14.672 1.00 0.00 O
|
| 121 |
+
ATOM 121 CA ILE P 31 -1.141 -9.231 -10.782 1.00 0.00 C
|
| 122 |
+
ATOM 122 N ILE P 31 -0.069 -9.896 -11.018 1.00 0.00 N
|
| 123 |
+
ATOM 123 C ILE P 31 -2.256 -8.539 -10.516 1.00 0.00 C
|
| 124 |
+
ATOM 124 O ILE P 31 -2.697 -8.266 -10.213 1.00 0.00 O
|
| 125 |
+
ATOM 125 CA ILE P 32 1.010 -6.463 -9.161 1.00 0.00 C
|
| 126 |
+
ATOM 126 N ILE P 32 0.197 -7.509 -9.274 1.00 0.00 N
|
| 127 |
+
ATOM 127 C ILE P 32 1.856 -5.373 -9.023 1.00 0.00 C
|
| 128 |
+
ATOM 128 O ILE P 32 2.190 -4.943 -8.771 1.00 0.00 O
|
| 129 |
+
ATOM 129 CA GLY P 33 1.942 -3.122 -11.270 1.00 0.00 C
|
| 130 |
+
ATOM 130 N GLY P 33 1.606 -4.324 -10.011 1.00 0.00 N
|
| 131 |
+
ATOM 131 C GLY P 33 2.291 -1.871 -12.560 1.00 0.00 C
|
| 132 |
+
ATOM 132 O GLY P 33 2.429 -1.377 -12.871 1.00 0.00 O
|
| 133 |
+
ATOM 133 CA LEU P 34 0.078 -3.505 -14.552 1.00 0.00 C
|
| 134 |
+
ATOM 134 N LEU P 34 0.795 -3.358 -12.789 1.00 0.00 N
|
| 135 |
+
ATOM 135 C LEU P 34 -0.669 -3.658 -16.367 1.00 0.00 C
|
| 136 |
+
ATOM 136 O LEU P 34 -0.963 -3.719 -16.886 1.00 0.00 O
|
| 137 |
+
ATOM 137 CA MET P 35 -2.124 -1.775 -11.817 1.00 0.00 C
|
| 138 |
+
ATOM 138 N MET P 35 -1.303 -2.420 -12.337 1.00 0.00 N
|
| 139 |
+
ATOM 139 C MET P 35 -2.980 -1.103 -11.255 1.00 0.00 C
|
| 140 |
+
ATOM 140 O MET P 35 -3.317 -0.838 -10.836 1.00 0.00 O
|
| 141 |
+
ATOM 141 CA VAL P 36 0.368 0.871 -11.262 1.00 0.00 C
|
| 142 |
+
ATOM 142 N VAL P 36 -0.621 -0.180 -10.982 1.00 0.00 N
|
| 143 |
+
ATOM 143 C VAL P 36 1.399 1.965 -11.532 1.00 0.00 C
|
| 144 |
+
ATOM 144 O VAL P 36 1.805 2.396 -11.441 1.00 0.00 O
|
| 145 |
+
ATOM 145 CA GLY P 37 0.682 2.410 -14.735 1.00 0.00 C
|
| 146 |
+
ATOM 146 N GLY P 37 0.562 1.820 -12.905 1.00 0.00 N
|
| 147 |
+
ATOM 147 C GLY P 37 0.807 3.024 -16.620 1.00 0.00 C
|
| 148 |
+
ATOM 148 O GLY P 37 0.856 3.266 -17.167 1.00 0.00 O
|
| 149 |
+
ATOM 149 CA GLY P 38 -2.840 1.352 -15.814 1.00 0.00 C
|
| 150 |
+
ATOM 150 N GLY P 38 -1.498 1.755 -14.903 1.00 0.00 N
|
| 151 |
+
ATOM 151 C GLY P 38 -4.237 0.932 -16.742 1.00 0.00 C
|
| 152 |
+
ATOM 152 O GLY P 38 -4.788 0.766 -16.911 1.00 0.00 O
|
| 153 |
+
ATOM 153 CA VAL P 39 -1.461 -0.524 -18.744 1.00 0.00 C
|
| 154 |
+
ATOM 154 N VAL P 39 -1.999 0.208 -17.101 1.00 0.00 N
|
| 155 |
+
ATOM 155 C VAL P 39 -0.901 -1.286 -20.434 1.00 0.00 C
|
| 156 |
+
ATOM 156 O VAL P 39 -0.680 -1.586 -20.904 1.00 0.00 O
|
| 157 |
+
ATOM 157 CA VAL P 40 -2.517 -4.264 -18.144 1.00 0.00 C
|
| 158 |
+
ATOM 158 N VAL P 40 -2.125 -2.876 -17.867 1.00 0.00 N
|
| 159 |
+
ATOM 159 C VAL P 40 -2.925 -5.710 -18.413 1.00 0.00 C
|
| 160 |
+
ATOM 160 O VAL P 40 -3.086 -6.281 -18.321 1.00 0.00 O
|
| 161 |
+
ATOM 161 CA ILE P 41 -0.540 -5.188 -21.170 1.00 0.00 C
|
| 162 |
+
ATOM 162 N ILE P 41 -1.314 -4.827 -19.486 1.00 0.00 N
|
| 163 |
+
ATOM 163 C ILE P 41 0.266 -5.565 -22.903 1.00 0.00 C
|
| 164 |
+
ATOM 164 O ILE P 41 0.584 -5.713 -23.390 1.00 0.00 O
|
| 165 |
+
ATOM 165 CA ALA P 42 -2.342 -8.507 -22.017 1.00 0.00 C
|
| 166 |
+
ATOM 166 N ALA P 42 -1.662 -7.255 -21.197 1.00 0.00 N
|
| 167 |
+
ATOM 167 C ALA P 42 -3.050 -9.811 -22.849 1.00 0.00 C
|
| 168 |
+
ATOM 168 O ALA P 42 -3.330 -10.325 -22.980 1.00 0.00 O
|
| 169 |
+
TER 169 ALA P 42
|
| 170 |
+
END
|
abeta_conformations/pdbs/abeta42_seed4_42.pdb
ADDED
|
@@ -0,0 +1,170 @@
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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 |
+
ATOM 1 CA ASP P 1 1.557 36.776 16.129 1.00 0.00 C
|
| 2 |
+
ATOM 2 N ASP P 1 2.647 37.479 15.958 1.00 0.00 N
|
| 3 |
+
ATOM 3 C ASP P 1 0.423 36.044 16.327 1.00 0.00 C
|
| 4 |
+
ATOM 4 O ASP P 1 -0.025 35.755 16.603 1.00 0.00 O
|
| 5 |
+
ATOM 5 CA ALA P 2 -1.373 34.885 17.934 1.00 0.00 C
|
| 6 |
+
ATOM 6 N ALA P 2 -0.284 35.588 17.763 1.00 0.00 N
|
| 7 |
+
ATOM 7 C ALA P 2 -2.508 34.153 18.132 1.00 0.00 C
|
| 8 |
+
ATOM 8 O ALA P 2 -2.955 33.864 18.408 1.00 0.00 O
|
| 9 |
+
ATOM 9 CA GLU P 3 -1.216 32.434 15.615 1.00 0.00 C
|
| 10 |
+
ATOM 10 N GLU P 3 -1.284 33.494 17.117 1.00 0.00 N
|
| 11 |
+
ATOM 11 C GLU P 3 -1.145 31.332 14.071 1.00 0.00 C
|
| 12 |
+
ATOM 12 O GLU P 3 -1.117 30.896 13.659 1.00 0.00 O
|
| 13 |
+
ATOM 13 CA PHE P 4 -5.118 28.374 18.240 1.00 0.00 C
|
| 14 |
+
ATOM 14 N PHE P 4 -4.201 29.328 18.123 1.00 0.00 N
|
| 15 |
+
ATOM 15 C PHE P 4 -6.072 27.381 18.382 1.00 0.00 C
|
| 16 |
+
ATOM 16 O PHE P 4 -6.449 26.989 18.636 1.00 0.00 O
|
| 17 |
+
ATOM 17 CA ARG P 5 -6.148 24.615 17.998 1.00 0.00 C
|
| 18 |
+
ATOM 18 N ARG P 5 -5.763 26.020 18.588 1.00 0.00 N
|
| 19 |
+
ATOM 19 C ARG P 5 -6.550 23.152 17.403 1.00 0.00 C
|
| 20 |
+
ATOM 20 O ARG P 5 -6.708 22.574 17.366 1.00 0.00 O
|
| 21 |
+
ATOM 21 CA HIS P 6 -8.746 23.961 15.605 1.00 0.00 C
|
| 22 |
+
ATOM 22 N HIS P 6 -7.690 24.227 17.077 1.00 0.00 N
|
| 23 |
+
ATOM 23 C HIS P 6 -9.845 23.684 14.092 1.00 0.00 C
|
| 24 |
+
ATOM 24 O HIS P 6 -10.279 23.574 13.692 1.00 0.00 O
|
| 25 |
+
ATOM 25 CA ASP P 7 -9.741 20.644 13.778 1.00 0.00 C
|
| 26 |
+
ATOM 26 N ASP P 7 -9.370 21.881 14.959 1.00 0.00 N
|
| 27 |
+
ATOM 27 C ASP P 7 -10.128 19.357 12.569 1.00 0.00 C
|
| 28 |
+
ATOM 28 O ASP P 7 -10.280 18.848 12.289 1.00 0.00 O
|
| 29 |
+
ATOM 29 CA SER P 8 -8.880 17.171 12.482 1.00 0.00 C
|
| 30 |
+
ATOM 30 N SER P 8 -9.210 18.503 13.479 1.00 0.00 N
|
| 31 |
+
ATOM 31 C SER P 8 -8.536 15.783 11.464 1.00 0.00 C
|
| 32 |
+
ATOM 32 O SER P 8 -8.400 15.236 11.260 1.00 0.00 O
|
| 33 |
+
ATOM 33 CA GLY P 9 -10.203 16.379 9.269 1.00 0.00 C
|
| 34 |
+
ATOM 34 N GLY P 9 -9.661 16.703 11.085 1.00 0.00 N
|
| 35 |
+
ATOM 35 C GLY P 9 -10.768 16.042 7.398 1.00 0.00 C
|
| 36 |
+
ATOM 36 O GLY P 9 -10.991 15.909 6.857 1.00 0.00 O
|
| 37 |
+
ATOM 37 CA TYR P 10 -9.227 12.857 7.778 1.00 0.00 C
|
| 38 |
+
ATOM 38 N TYR P 10 -9.588 14.160 8.830 1.00 0.00 N
|
| 39 |
+
ATOM 39 C TYR P 10 -8.851 11.500 6.705 1.00 0.00 C
|
| 40 |
+
ATOM 40 O TYR P 10 -8.703 10.965 6.478 1.00 0.00 O
|
| 41 |
+
ATOM 41 CA GLU P 11 -7.849 13.520 4.185 1.00 0.00 C
|
| 42 |
+
ATOM 42 N GLU P 11 -8.364 13.272 6.029 1.00 0.00 N
|
| 43 |
+
ATOM 43 C GLU P 11 -7.313 13.779 2.287 1.00 0.00 C
|
| 44 |
+
ATOM 44 O GLU P 11 -7.101 13.880 1.735 1.00 0.00 O
|
| 45 |
+
ATOM 45 CA VAL P 12 -6.835 10.024 4.590 1.00 0.00 C
|
| 46 |
+
ATOM 46 N VAL P 12 -7.239 11.417 4.929 1.00 0.00 N
|
| 47 |
+
ATOM 47 C VAL P 12 -6.414 8.573 4.258 1.00 0.00 C
|
| 48 |
+
ATOM 48 O VAL P 12 -6.248 8.000 4.324 1.00 0.00 O
|
| 49 |
+
ATOM 49 CA HIS P 13 -7.089 7.098 2.253 1.00 0.00 C
|
| 50 |
+
ATOM 50 N HIS P 13 -6.990 8.236 3.662 1.00 0.00 N
|
| 51 |
+
ATOM 51 C HIS P 13 -7.192 5.913 0.807 1.00 0.00 C
|
| 52 |
+
ATOM 52 O HIS P 13 -7.232 5.445 0.433 1.00 0.00 O
|
| 53 |
+
ATOM 53 CA HIS P 14 -7.403 6.527 -1.346 1.00 0.00 C
|
| 54 |
+
ATOM 54 N HIS P 14 -7.278 6.755 0.591 1.00 0.00 N
|
| 55 |
+
ATOM 55 C HIS P 14 -7.534 6.289 -3.341 1.00 0.00 C
|
| 56 |
+
ATOM 56 O HIS P 14 -7.586 6.195 -3.932 1.00 0.00 O
|
| 57 |
+
ATOM 57 CA GLN P 15 -4.214 6.993 -2.955 1.00 0.00 C
|
| 58 |
+
ATOM 58 N GLN P 15 -5.507 6.804 -1.803 1.00 0.00 N
|
| 59 |
+
ATOM 59 C GLN P 15 -2.869 7.189 -4.134 1.00 0.00 C
|
| 60 |
+
ATOM 60 O GLN P 15 -2.338 7.267 -4.402 1.00 0.00 O
|
| 61 |
+
ATOM 61 CA LYS P 16 -2.397 4.049 -1.328 1.00 0.00 C
|
| 62 |
+
ATOM 62 N LYS P 16 -3.091 5.173 -1.449 1.00 0.00 N
|
| 63 |
+
ATOM 63 C LYS P 16 -1.675 2.879 -1.181 1.00 0.00 C
|
| 64 |
+
ATOM 64 O LYS P 16 -1.389 2.417 -0.925 1.00 0.00 O
|
| 65 |
+
ATOM 65 CA LEU P 17 -4.945 1.376 -2.055 1.00 0.00 C
|
| 66 |
+
ATOM 66 N LEU P 17 -3.956 2.413 -1.273 1.00 0.00 N
|
| 67 |
+
ATOM 67 C LEU P 17 -5.973 0.296 -2.849 1.00 0.00 C
|
| 68 |
+
ATOM 68 O LEU P 17 -6.379 -0.130 -2.965 1.00 0.00 O
|
| 69 |
+
ATOM 69 CA VAL P 18 -4.847 1.809 -5.854 1.00 0.00 C
|
| 70 |
+
ATOM 70 N VAL P 18 -4.884 1.643 -3.904 1.00 0.00 N
|
| 71 |
+
ATOM 71 C VAL P 18 -4.808 1.981 -7.864 1.00 0.00 C
|
| 72 |
+
ATOM 72 O VAL P 18 -4.793 2.049 -8.460 1.00 0.00 O
|
| 73 |
+
ATOM 73 CA PHE P 19 -1.158 1.030 -6.106 1.00 0.00 C
|
| 74 |
+
ATOM 74 N PHE P 19 -2.584 1.331 -5.509 1.00 0.00 N
|
| 75 |
+
ATOM 75 C PHE P 19 0.325 0.717 -6.708 1.00 0.00 C
|
| 76 |
+
ATOM 76 O PHE P 19 0.911 0.594 -6.748 1.00 0.00 O
|
| 77 |
+
ATOM 77 CA PHE P 20 -1.578 -2.371 -4.307 1.00 0.00 C
|
| 78 |
+
ATOM 78 N PHE P 20 -1.420 -1.088 -4.486 1.00 0.00 N
|
| 79 |
+
ATOM 79 C PHE P 20 -1.742 -3.706 -4.101 1.00 0.00 C
|
| 80 |
+
ATOM 80 O PHE P 20 -1.807 -4.234 -3.822 1.00 0.00 O
|
| 81 |
+
ATOM 81 CA ALA P 21 -4.529 -3.113 -6.484 1.00 0.00 C
|
| 82 |
+
ATOM 82 N ALA P 21 -3.377 -2.823 -5.134 1.00 0.00 N
|
| 83 |
+
ATOM 83 C ALA P 21 -5.728 -3.414 -7.868 1.00 0.00 C
|
| 84 |
+
ATOM 84 O ALA P 21 -6.201 -3.533 -8.217 1.00 0.00 O
|
| 85 |
+
ATOM 85 CA GLU P 22 -2.616 -3.053 -9.755 1.00 0.00 C
|
| 86 |
+
ATOM 86 N GLU P 22 -3.353 -3.076 -7.995 1.00 0.00 N
|
| 87 |
+
ATOM 87 C GLU P 22 -1.849 -3.030 -11.567 1.00 0.00 C
|
| 88 |
+
ATOM 88 O GLU P 22 -1.546 -3.020 -12.085 1.00 0.00 O
|
| 89 |
+
ATOM 89 CA ASP P 23 0.164 -5.303 -8.894 1.00 0.00 C
|
| 90 |
+
ATOM 90 N ASP P 23 -0.939 -4.410 -8.736 1.00 0.00 N
|
| 91 |
+
ATOM 91 C ASP P 23 1.313 -6.232 -9.038 1.00 0.00 C
|
| 92 |
+
ATOM 92 O ASP P 23 1.766 -6.599 -8.898 1.00 0.00 O
|
| 93 |
+
ATOM 93 CA VAL P 24 -2.258 -8.238 -8.087 1.00 0.00 C
|
| 94 |
+
ATOM 94 N VAL P 24 -1.349 -7.136 -7.890 1.00 0.00 N
|
| 95 |
+
ATOM 95 C VAL P 24 -3.204 -9.385 -8.272 1.00 0.00 C
|
| 96 |
+
ATOM 96 O VAL P 24 -3.578 -9.837 -8.148 1.00 0.00 O
|
| 97 |
+
ATOM 97 CA GLY P 25 -2.025 -8.865 -11.750 1.00 0.00 C
|
| 98 |
+
ATOM 98 N GLY P 25 -2.116 -8.619 -9.814 1.00 0.00 N
|
| 99 |
+
ATOM 99 C GLY P 25 -1.930 -9.122 -13.746 1.00 0.00 C
|
| 100 |
+
ATOM 100 O GLY P 25 -1.892 -9.223 -14.336 1.00 0.00 O
|
| 101 |
+
ATOM 101 CA SER P 26 -0.367 -12.346 -12.869 1.00 0.00 C
|
| 102 |
+
ATOM 102 N SER P 26 -0.970 -11.080 -11.962 1.00 0.00 N
|
| 103 |
+
ATOM 103 C SER P 26 0.261 -13.663 -13.793 1.00 0.00 C
|
| 104 |
+
ATOM 104 O SER P 26 0.509 -14.184 -13.960 1.00 0.00 O
|
| 105 |
+
ATOM 105 CA ASN P 27 0.574 -15.769 -10.836 1.00 0.00 C
|
| 106 |
+
ATOM 106 N ASN P 27 0.238 -14.547 -11.061 1.00 0.00 N
|
| 107 |
+
ATOM 107 C ASN P 27 0.924 -17.040 -10.581 1.00 0.00 C
|
| 108 |
+
ATOM 108 O ASN P 27 1.062 -17.542 -10.282 1.00 0.00 O
|
| 109 |
+
ATOM 109 CA LYS P 28 2.333 -15.027 -7.274 1.00 0.00 C
|
| 110 |
+
ATOM 110 N LYS P 28 1.698 -15.295 -8.061 1.00 0.00 N
|
| 111 |
+
ATOM 111 C LYS P 28 2.994 -14.748 -6.434 1.00 0.00 C
|
| 112 |
+
ATOM 112 O LYS P 28 3.255 -14.638 -5.905 1.00 0.00 O
|
| 113 |
+
ATOM 113 CA GLY P 29 -0.170 -12.632 -5.498 1.00 0.00 C
|
| 114 |
+
ATOM 114 N GLY P 29 0.769 -13.531 -5.664 1.00 0.00 N
|
| 115 |
+
ATOM 115 C GLY P 29 -1.148 -11.697 -5.305 1.00 0.00 C
|
| 116 |
+
ATOM 116 O GLY P 29 -1.534 -11.328 -5.031 1.00 0.00 O
|
| 117 |
+
ATOM 117 CA ALA P 30 -1.588 -15.110 -2.813 1.00 0.00 C
|
| 118 |
+
ATOM 118 N ALA P 30 -1.060 -14.187 -3.313 1.00 0.00 N
|
| 119 |
+
ATOM 119 C ALA P 30 -2.138 -16.071 -2.272 1.00 0.00 C
|
| 120 |
+
ATOM 120 O ALA P 30 -2.355 -16.450 -1.860 1.00 0.00 O
|
| 121 |
+
ATOM 121 CA ILE P 31 1.707 -15.589 -0.947 1.00 0.00 C
|
| 122 |
+
ATOM 122 N ILE P 31 0.446 -15.406 -1.161 1.00 0.00 N
|
| 123 |
+
ATOM 123 C ILE P 31 3.019 -15.780 -0.704 1.00 0.00 C
|
| 124 |
+
ATOM 124 O ILE P 31 3.537 -15.855 -0.411 1.00 0.00 O
|
| 125 |
+
ATOM 125 CA ILE P 32 2.429 -11.842 -0.908 1.00 0.00 C
|
| 126 |
+
ATOM 126 N ILE P 32 2.152 -13.276 -0.423 1.00 0.00 N
|
| 127 |
+
ATOM 127 C ILE P 32 2.716 -10.350 -1.392 1.00 0.00 C
|
| 128 |
+
ATOM 128 O ILE P 32 2.830 -9.760 -1.386 1.00 0.00 O
|
| 129 |
+
ATOM 129 CA GLY P 33 -0.484 -10.769 1.175 1.00 0.00 C
|
| 130 |
+
ATOM 130 N GLY P 33 0.654 -11.188 0.862 1.00 0.00 N
|
| 131 |
+
ATOM 131 C GLY P 33 -1.668 -10.332 1.522 1.00 0.00 C
|
| 132 |
+
ATOM 132 O GLY P 33 -2.135 -10.160 1.857 1.00 0.00 O
|
| 133 |
+
ATOM 133 CA LEU P 34 0.527 -12.979 4.031 1.00 0.00 C
|
| 134 |
+
ATOM 134 N LEU P 34 0.134 -12.118 3.419 1.00 0.00 N
|
| 135 |
+
ATOM 135 C LEU P 34 0.937 -13.875 4.689 1.00 0.00 C
|
| 136 |
+
ATOM 136 O LEU P 34 1.099 -14.228 5.146 1.00 0.00 O
|
| 137 |
+
ATOM 137 CA MET P 35 3.950 -11.547 3.540 1.00 0.00 C
|
| 138 |
+
ATOM 138 N MET P 35 2.615 -12.106 4.232 1.00 0.00 N
|
| 139 |
+
ATOM 139 C MET P 35 5.340 -10.965 2.841 1.00 0.00 C
|
| 140 |
+
ATOM 140 O MET P 35 5.889 -10.736 2.762 1.00 0.00 O
|
| 141 |
+
ATOM 141 CA VAL P 36 2.904 -7.915 3.531 1.00 0.00 C
|
| 142 |
+
ATOM 142 N VAL P 36 3.308 -9.318 4.035 1.00 0.00 N
|
| 143 |
+
ATOM 143 C VAL P 36 2.484 -6.454 3.028 1.00 0.00 C
|
| 144 |
+
ATOM 144 O VAL P 36 2.318 -5.878 3.026 1.00 0.00 O
|
| 145 |
+
ATOM 145 CA GLY P 37 1.033 -7.619 6.637 1.00 0.00 C
|
| 146 |
+
ATOM 146 N GLY P 37 1.784 -7.738 5.891 1.00 0.00 N
|
| 147 |
+
ATOM 147 C GLY P 37 0.251 -7.496 7.435 1.00 0.00 C
|
| 148 |
+
ATOM 148 O GLY P 37 -0.057 -7.447 7.947 1.00 0.00 O
|
| 149 |
+
ATOM 149 CA GLY P 38 3.776 -9.445 8.439 1.00 0.00 C
|
| 150 |
+
ATOM 150 N GLY P 38 2.710 -8.735 8.239 1.00 0.00 N
|
| 151 |
+
ATOM 151 C GLY P 38 4.886 -10.184 8.668 1.00 0.00 C
|
| 152 |
+
ATOM 152 O GLY P 38 5.324 -10.476 8.956 1.00 0.00 O
|
| 153 |
+
ATOM 153 CA VAL P 39 1.937 -12.381 9.559 1.00 0.00 C
|
| 154 |
+
ATOM 154 N VAL P 39 2.674 -11.204 9.610 1.00 0.00 N
|
| 155 |
+
ATOM 155 C VAL P 39 1.169 -13.607 9.526 1.00 0.00 C
|
| 156 |
+
ATOM 156 O VAL P 39 0.866 -14.091 9.710 1.00 0.00 O
|
| 157 |
+
ATOM 157 CA VAL P 40 3.244 -15.333 7.367 1.00 0.00 C
|
| 158 |
+
ATOM 158 N VAL P 40 2.755 -14.229 8.687 1.00 0.00 N
|
| 159 |
+
ATOM 159 C VAL P 40 3.754 -16.483 6.014 1.00 0.00 C
|
| 160 |
+
ATOM 160 O VAL P 40 3.955 -16.937 5.677 1.00 0.00 O
|
| 161 |
+
ATOM 161 CA ILE P 41 0.777 -17.614 8.980 1.00 0.00 C
|
| 162 |
+
ATOM 162 N ILE P 41 1.744 -16.721 8.848 1.00 0.00 N
|
| 163 |
+
ATOM 163 C ILE P 41 -0.229 -18.545 9.138 1.00 0.00 C
|
| 164 |
+
ATOM 164 O ILE P 41 -0.626 -18.912 9.397 1.00 0.00 O
|
| 165 |
+
ATOM 165 CA ALA P 42 2.783 -20.833 8.608 1.00 0.00 C
|
| 166 |
+
ATOM 166 N ALA P 42 2.015 -19.600 9.250 1.00 0.00 N
|
| 167 |
+
ATOM 167 C ALA P 42 3.583 -22.117 7.960 1.00 0.00 C
|
| 168 |
+
ATOM 168 O ALA P 42 3.899 -22.623 7.901 1.00 0.00 O
|
| 169 |
+
TER 169 ALA P 42
|
| 170 |
+
END
|
abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed0_42_pose.pdb
ADDED
|
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|
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abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed1_42_pose.pdb
ADDED
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|
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abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed2_42_pose.pdb
ADDED
|
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|
|
|
abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed3_42_pose.pdb
ADDED
|
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|
|
|
abeta_pose_panels/template_transfer_v1/4HIX/abeta42_seed4_42_pose.pdb
ADDED
|
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|
|
|
abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed0_42_pose.pdb
ADDED
|
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|
|
|
abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed1_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed2_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed3_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/4XXD/abeta42_seed4_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed0_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed1_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed2_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed3_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5CSZ/abeta42_seed4_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed0_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed1_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed2_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed3_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
abeta_pose_panels/template_transfer_v1/5VZY/abeta42_seed4_42_pose.pdb
ADDED
|
The diff for this file is too large to render.
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|
|
|
caid2/binding/labels/DP02342.label
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
| 1 |
+
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
|
caid2/binding/labels/DP02348.label
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
| 1 |
+
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
|
caid2/binding/labels/DP02411.label
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
| 1 |
+
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
|
caid2/binding/labels/DP02449.label
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
| 1 |
+
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
|
caid2/binding/labels/DP02537.label
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
| 1 |
+
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
|
caid2/binding/labels/DP02543.label
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
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