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Add batch 191

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  1. 1b9t/1b9t_ligand.mol2 +99 -0
  2. 1b9t/1b9t_ligand.sdf +89 -0
  3. 1b9t/1b9t_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1b9t/1b9t_protein_processed_fix.pdb +0 -0
  5. 1il5/1il5_ligand.mol2 +48 -0
  6. 1il5/1il5_ligand.sdf +38 -0
  7. 1il5/1il5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1il5/1il5_protein_processed_fix.pdb +0 -0
  9. 1ind/1ind_ligand.mol2 +136 -0
  10. 1ind/1ind_ligand.sdf +134 -0
  11. 1ind/1ind_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1ind/1ind_protein_processed_fix.pdb +0 -0
  13. 1jaq/1jaq_ligand.mol2 +101 -0
  14. 1jaq/1jaq_ligand.sdf +91 -0
  15. 1jaq/1jaq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1jaq/1jaq_protein_processed_fix.pdb +0 -0
  17. 1lst/1lst_ligand.mol2 +65 -0
  18. 1lst/1lst_ligand.sdf +57 -0
  19. 1lst/1lst_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1lst/1lst_protein_processed_fix.pdb +0 -0
  21. 1nhu/1nhu_ligand.mol2 +118 -0
  22. 1nhu/1nhu_ligand.sdf +110 -0
  23. 1nhu/1nhu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1nhu/1nhu_protein_processed_fix.pdb +0 -0
  25. 1p6d/1p6d_ligand.mol2 +159 -0
  26. 1p6d/1p6d_ligand.sdf +151 -0
  27. 1p6d/1p6d_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1p6d/1p6d_protein_processed_fix.pdb +0 -0
  29. 1tcw/1tcw_ligand.mol2 +180 -0
  30. 1tcw/1tcw_ligand.sdf +168 -0
  31. 1tcw/1tcw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1tcw/1tcw_protein_processed_fix.pdb +0 -0
  33. 1thz/1thz_ligand.mol2 +110 -0
  34. 1thz/1thz_ligand.sdf +106 -0
  35. 1thz/1thz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1thz/1thz_protein_processed_fix.pdb +0 -0
  37. 1xpc/1xpc_ligand.mol2 +146 -0
  38. 1xpc/1xpc_ligand.sdf +136 -0
  39. 1xpc/1xpc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1xpc/1xpc_protein_processed_fix.pdb +0 -0
  41. 1y6a/1y6a_ligand.mol2 +123 -0
  42. 1y6a/1y6a_ligand.sdf +113 -0
  43. 1y6a/1y6a_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1y6a/1y6a_protein_processed_fix.pdb +0 -0
  45. 1ymx/1ymx_ligand.mol2 +99 -0
  46. 1ymx/1ymx_ligand.sdf +91 -0
  47. 1ymx/1ymx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1ymx/1ymx_protein_processed_fix.pdb +0 -0
  49. 2ay2/2ay2_ligand.mol2 +68 -0
  50. 2ay2/2ay2_ligand.sdf +60 -0
1b9t/1b9t_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1b9t_ligand
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+ SMALL
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+ 31 H8 33.1580 -6.3594 61.1596 H 1 RAI 0.0334
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+ 34 H11 30.3897 -8.7393 61.0992 H 1 RAI 0.0601
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+ 35 H12 31.3217 -10.2146 61.5251 H 1 RAI 0.0601
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+ 36 H13 32.5106 -9.8809 59.5644 H 1 RAI 0.2096
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+ 37 H14 33.7883 -9.8409 60.8314 H 1 RAI 0.0601
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+ 38 H15 34.5265 -8.9020 62.1732 H 1 RAI 0.0601
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+ 39 H16 33.8863 -7.9143 59.5928 H 1 RAI 0.2096
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+ 40 H17 27.6846 -9.9147 64.0841 H 1 RAI 0.1652
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+ 41 H18 27.3035 -11.4406 63.2421 H 1 RAI 0.1652
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+ @<TRIPOS>BOND
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+ 1 1 6 ar
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+ 2 1 2 ar
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+ 3 2 12 1
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+ 4 2 3 ar
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+ 5 3 9 1
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+ 6 3 4 ar
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+ 8 5 7 1
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+ 10 7 21 ar
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+ 11 7 8 ar
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+ 12 9 10 ar
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+ 13 10 22 ar
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+ 14 10 11 ar
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+ 15 12 16 am
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+ 16 12 13 1
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1b9t/1b9t_ligand.sdf ADDED
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+ $$$$
1b9t/1b9t_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1b9t/1b9t_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1il5/1il5_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
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+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1il5_ligand
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+ SMALL
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+ GAST_HUCK
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1il5/1il5_ligand.sdf ADDED
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+ $$$$
1il5/1il5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1il5/1il5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ind/1ind_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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1jaq/1jaq_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jaq/1jaq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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The diff for this file is too large to render. See raw diff
 
1nhu/1nhu_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1p6d/1p6d_protein_processed_fix.pdb ADDED
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1tcw/1tcw_ligand.mol2 ADDED
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+ ###
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1thz/1thz_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1thz/1thz_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xpc/1xpc_ligand.mol2 ADDED
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1
+ ###
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3
+ ###
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1xpc/1xpc_protein_processed_fix.pdb ADDED
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The diff for this file is too large to render. See raw diff
 
1y6a/1y6a_protein_processed_fix.pdb ADDED
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1ymx/1ymx_ligand.mol2 ADDED
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1ymx/1ymx_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ymx/1ymx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ay2/2ay2_ligand.mol2 ADDED
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+ 5 20 1 0 0 0
52
+ 6 21 1 0 0 0
53
+ 6 22 1 0 0 0
54
+ 7 23 1 0 0 0
55
+ 7 24 1 0 0 0
56
+ 8 25 1 0 0 0
57
+ 8 26 1 0 0 0
58
+ 10 27 1 0 0 0
59
+ M END
60
+ $$$$