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linbc20 commited on
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1 Parent(s): 35e115f

Add 2pog

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Files changed (4) hide show
  1. 2pog_ligand.mol2 +97 -0
  2. 2pog_ligand.sdf +87 -0
  3. 2pog_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 2pog_protein_processed_fix.pdb +0 -0
2pog_ligand.mol2 ADDED
@@ -0,0 +1,97 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 2pog_ligand
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+ 39 42 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+
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+ @<TRIPOS>ATOM
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+ 7 C7 13.4230 50.5100 58.2250 C.ar 1 WST 0.0875
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+ 8 O8 12.0970 50.6770 58.5540 O.3 1 WST -0.3104
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+ 9 C9 11.7640 51.9600 59.1550 C.3 1 WST 0.1125
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+ 10 C11 12.6450 52.2650 60.4200 C.3 1 WST 0.0071
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+ 11 C13 14.1540 51.9210 60.2370 C.3 1 WST -0.0044
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+ 12 C15 14.5790 51.2410 61.5600 C.3 1 WST -0.0432
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+ 14 C17 12.2370 51.5520 61.7220 C.3 1 WST -0.0442
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+ 15 C18 10.2580 52.0450 59.4310 C.ar 1 WST -0.0205
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+ 16 C19 9.4580 50.8660 59.3060 C.ar 1 WST -0.0659
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+ 17 C20 8.0670 50.9000 59.5580 C.ar 1 WST -0.0397
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+ 18 C21 7.3750 52.0940 59.9470 C.ar 1 WST 0.0805
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+ 19 O22 6.1260 52.1100 60.1730 O.3 1 WST -0.3376
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+ 20 C23 8.2010 53.2630 60.0640 C.ar 1 WST -0.0397
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+ 21 C24 9.6070 53.2550 59.8170 C.ar 1 WST -0.0659
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+ 24 H3 15.2075 48.9130 55.7858 H 1 WST 0.0506
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+ 25 H4 12.8460 49.3117 56.5088 H 1 WST 0.0433
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+ 26 H5 11.9986 52.7375 58.4131 H 1 WST 0.0794
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+ 27 H6 12.5595 53.3480 60.5923 H 1 WST 0.0369
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+ 28 H7 14.7060 52.8674 60.1389 H 1 WST 0.0419
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+ 29 H8 15.5537 51.6255 61.8947 H 1 WST 0.0285
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+ 30 H9 14.6400 50.1504 61.4301 H 1 WST 0.0285
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+ 31 H10 13.6603 52.6001 62.9777 H 1 WST 0.0267
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+ 32 H11 13.4568 50.8604 63.3758 H 1 WST 0.0267
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+ 33 H12 11.9332 50.5137 61.5231 H 1 WST 0.0272
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+ 34 H13 11.4148 52.0854 62.2214 H 1 WST 0.0272
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+ 35 H14 9.9250 49.9324 59.0137 H 1 WST 0.0531
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+ 36 H15 7.4988 49.9829 59.4524 H 1 WST 0.0525
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+ 37 H16 5.8605 52.9892 60.4160 H 1 WST 0.2458
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+ 38 H17 7.7339 54.1972 60.3541 H 1 WST 0.0525
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+ 39 H18 10.1806 54.1687 59.9227 H 1 WST 0.0531
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+ @<TRIPOS>BOND
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+ 1 1 2 ar
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+ 5 2 4 ar
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+ 6 4 5 ar
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 WST 1
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+
2pog_ligand.sdf ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ 2pog_ligand
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+ -I-interpret-
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+
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+ M END
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+ $$$$
2pog_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pog_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff