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THU-ATOM
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PDBbind

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1 Parent(s): 2f2cc38

Add batch 121

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  1. 1eol/1eol_ligand.mol2 +509 -0
  2. 1eol/1eol_ligand.sdf +507 -0
  3. 1eol/1eol_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1eol/1eol_protein_processed_fix.pdb +0 -0
  5. 1gz4/1gz4_ligand.mol2 +104 -0
  6. 1gz4/1gz4_ligand.sdf +102 -0
  7. 1gz4/1gz4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1gz4/1gz4_protein_processed_fix.pdb +0 -0
  9. 1h2k/1h2k_ligand.mol2 +41 -0
  10. 1h2k/1h2k_ligand.sdf +35 -0
  11. 1h2k/1h2k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1h2k/1h2k_protein_processed_fix.pdb +0 -0
  13. 1jgl/1jgl_ligand.mol2 +107 -0
  14. 1jgl/1jgl_ligand.sdf +97 -0
  15. 1jgl/1jgl_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1jgl/1jgl_protein_processed_fix.pdb +0 -0
  17. 1kak/1kak_ligand.mol2 +77 -0
  18. 1kak/1kak_ligand.sdf +75 -0
  19. 1kak/1kak_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1kak/1kak_protein_processed_fix.pdb +0 -0
  21. 1pb8/1pb8_ligand.mol2 +43 -0
  22. 1pb8/1pb8_ligand.sdf +35 -0
  23. 1pb8/1pb8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1pb8/1pb8_protein_processed_fix.pdb +0 -0
  25. 1pfu/1pfu_ligand.mol2 +57 -0
  26. 1pfu/1pfu_ligand.sdf +51 -0
  27. 1pfu/1pfu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1pfu/1pfu_protein_processed_fix.pdb +0 -0
  29. 1sgu/1sgu_ligand.mol2 +208 -0
  30. 1sgu/1sgu_ligand.sdf +198 -0
  31. 1sgu/1sgu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1sgu/1sgu_protein_processed_fix.pdb +0 -0
  33. 1sje/1sje_ligand.mol2 +448 -0
  34. 1sje/1sje_ligand.sdf +444 -0
  35. 1sje/1sje_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1sje/1sje_protein_processed_fix.pdb +0 -0
  37. 1uv5/1uv5_ligand.mol2 +83 -0
  38. 1uv5/1uv5_ligand.sdf +73 -0
  39. 1uv5/1uv5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1uv5/1uv5_protein_processed_fix.pdb +0 -0
  41. 1xud/1xud_ligand.mol2 +118 -0
  42. 1xud/1xud_ligand.sdf +108 -0
  43. 1xud/1xud_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1xud/1xud_protein_processed_fix.pdb +0 -0
  45. 1ycm/1ycm_ligand.mol2 +94 -0
  46. 1ycm/1ycm_ligand.sdf +84 -0
  47. 1ycm/1ycm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1ycm/1ycm_protein_processed_fix.pdb +0 -0
  49. 1yet/1yet_ligand.mol2 +177 -0
  50. 1yet/1yet_ligand.sdf +167 -0
1eol/1eol_ligand.mol2 ADDED
@@ -0,0 +1,509 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1eol_ligand
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+ 245 248 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
11
+
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+ @<TRIPOS>ATOM
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+ 1 N 15.3190 14.3180 22.4770 N.4 1 ARG 0.2379
14
+ 2 CA 15.3720 15.1970 21.3030 C.3 1 ARG 0.0653
15
+ 3 C 16.3940 16.2490 21.6590 C.2 1 ARG 0.2292
16
+ 4 O 16.4620 16.6790 22.8100 O.2 1 ARG -0.3905
17
+ 5 CB 14.0060 15.8120 21.0110 C.3 1 ARG 0.0110
18
+ 6 CG 13.4140 16.5670 22.1780 C.3 1 ARG -0.0125
19
+ 7 CD 12.0640 17.1760 21.7990 C.3 1 ARG 0.0629
20
+ 8 NE 11.4090 17.7400 22.9760 N.pl3 1 ARG -0.2723
21
+ 9 CZ 11.6850 18.9330 23.4920 C.cat 1 ARG 0.2882
22
+ 10 NH1 12.6290 19.6950 22.9520 N.pl3 1 ARG -0.2849
23
+ 11 NH2 11.0220 19.3560 24.5570 N.pl3 1 ARG -0.2849
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+ 12 N1 17.2240 16.6890 20.6970 N.am 1 CPI -0.2471
25
+ 13 C2 17.9700 17.9700 20.8720 C.3 1 CPI 0.0369
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+ 14 C3 19.4210 17.5680 20.8270 C.3 1 CPI -0.0321
27
+ 15 C4 19.6010 17.1040 19.4550 C.3 1 CPI -0.0470
28
+ 16 C5 18.7060 15.9810 19.0010 C.3 1 CPI -0.0121
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+ 17 C6 17.2290 16.2020 19.3240 C.3 1 CPI 0.1338
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+ 18 C 16.5490 17.1520 18.3490 C.2 1 CPI 0.2041
31
+ 19 O1 15.7640 18.0350 18.7740 O.2 1 CPI -0.3944
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+ 20 N 16.8430 17.0170 17.0620 N.am 1 NLE -0.2637
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+ 21 CA 16.2680 17.8550 16.0470 C.3 1 NLE 0.1308
34
+ 22 C 15.3670 17.2280 14.9780 C.2 1 NLE 0.2016
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+ 23 O 15.2670 16.0010 14.9130 O.2 1 NLE -0.3945
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+ 24 CB 17.2180 18.9140 15.4500 C.3 1 NLE -0.0124
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+ 25 CG 18.4510 18.3180 14.8220 C.3 1 NLE -0.0491
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+ 26 CD 19.3230 19.3980 14.2170 C.3 1 NLE -0.0557
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+ 27 CE 20.5980 19.0180 13.5200 C.3 1 NLE -0.0653
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+ 28 N 14.7210 18.0280 14.1400 N.am 1 DOA -0.2851
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+ 29 CA 13.8340 17.6200 13.0730 C.3 1 DOA 0.0309
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+ 30 C2 14.5150 17.6210 11.7020 C.3 1 DOA -0.0327
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+ 31 C3 13.5230 17.9240 10.5670 C.3 1 DOA -0.0512
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+ 32 C4 12.9770 16.6740 9.8620 C.3 1 DOA -0.0530
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+ 33 C5 12.0270 17.0220 8.6840 C.3 1 DOA -0.0531
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+ 34 C6 11.5500 15.7480 7.9660 C.3 1 DOA -0.0531
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+ 35 C7 10.3660 15.9710 7.0130 C.3 1 DOA -0.0531
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+ 36 C8 10.7940 16.4350 5.6190 C.3 1 DOA -0.0529
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+ 37 C9 9.6800 16.2210 4.5780 C.3 1 DOA -0.0510
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+ 38 C10 10.0730 16.8130 3.2180 C.3 1 DOA -0.0361
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+ 39 CA2 9.2750 16.2300 2.0430 C.3 1 DOA 0.0374
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+ 40 C 8.0030 16.9960 1.7030 C.2 1 DOA 0.1783
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+ 41 O 7.8190 17.4160 0.5590 O.2 1 DOA -0.3969
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+ 42 N 7.1370 17.1880 2.6960 N.am 1 ASP -0.2641
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+ 43 CA 5.8600 17.8810 2.5390 C.3 1 ASP 0.1422
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+ 44 C 5.9510 19.3110 1.9980 C.2 1 ASP 0.2057
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+ 45 O 4.9580 19.8770 1.5590 O.2 1 ASP -0.3943
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+ 46 CB 5.1670 17.9050 3.9010 C.3 1 ASP 0.0406
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+ 47 CG 3.6780 17.6660 3.8060 C.2 1 ASP 0.0393
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+ 48 OD1 3.0420 17.5420 4.8710 O.co2 1 ASP -0.5688
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+ 49 OD2 3.1410 17.5960 2.6780 O.co2 1 ASP -0.5688
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+ 50 N 7.1600 19.8580 1.9800 N.am 1 TYR -0.2620
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+ 51 CA 7.4040 21.2360 1.5590 C.3 1 TYR 0.1390
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+ 52 C 7.3330 21.6260 0.0890 C.2 1 TYR 0.2057
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+ 53 O 7.9570 20.9970 -0.7690 O.2 1 TYR -0.3942
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+ 54 CB 8.7220 21.7180 2.1630 C.3 1 TYR 0.0163
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+ 55 CG 8.6870 21.6540 3.6630 C.ar 1 TYR -0.0493
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+ 56 CD1 8.9960 20.4690 4.3320 C.ar 1 TYR -0.0685
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+ 57 CD2 8.2400 22.7410 4.4110 C.ar 1 TYR -0.0685
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+ 58 CE1 8.8450 20.3620 5.7050 C.ar 1 TYR -0.0398
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+ 59 CE2 8.0880 22.6460 5.7830 C.ar 1 TYR -0.0398
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+ 60 CZ 8.3860 21.4580 6.4170 C.ar 1 TYR 0.0805
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+ 61 OH 8.1840 21.3770 7.7650 O.3 1 TYR -0.3376
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+ 62 N 6.5620 22.6780 -0.1760 N.am 1 GLU -0.2635
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+ 63 CA 6.3970 23.2280 -1.5140 C.3 1 GLU 0.1327
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+ 64 C 7.6920 23.9550 -1.8900 C.2 1 GLU 0.2065
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+ 65 O 8.2010 24.7820 -1.1330 O.2 1 GLU -0.3942
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+ 66 CB 5.2320 24.2150 -1.5280 C.3 1 GLU -0.0008
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+ 67 CG 5.1100 25.0200 -2.8080 C.3 1 GLU 0.0044
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+ 68 CD 4.1300 26.1700 -2.6900 C.2 1 GLU 0.0350
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+ 69 OE1 4.3470 27.1990 -3.3650 O.co2 1 GLU -0.5690
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+ 70 OE2 3.1490 26.0520 -1.9260 O.co2 1 GLU -0.5690
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+ 71 N 8.2480 23.6470 -3.0710 N.am 1 PRO -0.2498
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+ 72 CA 9.4890 24.2820 -3.5230 C.3 1 PRO 0.1338
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+ 73 C 9.4530 25.8020 -3.4590 C.2 1 PRO 0.2041
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+ 74 O 8.3960 26.4230 -3.5690 O.2 1 PRO -0.3944
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+ 75 CB 9.6150 23.7920 -4.9540 C.3 1 PRO -0.0104
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+ 76 CG 9.0070 22.4190 -4.8840 C.3 1 PRO -0.0281
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+ 77 CD 7.7650 22.6790 -4.0720 C.3 1 PRO 0.0369
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+ 78 N 10.6270 26.3880 -3.2840 N.am 1 ILE -0.2634
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+ 79 CA 10.7520 27.8270 -3.2160 C.3 1 ILE 0.1337
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+ 80 C 11.1570 28.3540 -4.5900 C.2 1 ILE 0.2067
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+ 81 O 12.1640 27.9190 -5.1530 O.2 1 ILE -0.3942
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+ 82 CB 11.8150 28.2350 -2.1800 C.3 1 ILE -0.0037
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+ 83 CG1 11.3680 27.7970 -0.7830 C.3 1 ILE -0.0491
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+ 84 CG2 12.0580 29.7390 -2.2370 C.3 1 ILE -0.0582
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+ 85 CD1 12.4110 28.0130 0.2840 C.3 1 ILE -0.0648
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+ 86 N 10.3390 29.2460 -5.1790 N.am 1 PRO -0.2498
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+ 87 CA 10.6320 29.8250 -6.4970 C.3 1 PRO 0.1338
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+ 88 C 11.9080 30.6520 -6.3860 C.2 1 PRO 0.2041
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+ 89 O 12.3000 31.0250 -5.2810 O.2 1 PRO -0.3944
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+ 90 CB 9.4250 30.7290 -6.7490 C.3 1 PRO -0.0104
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+ 91 CG 8.3250 30.0510 -5.9760 C.3 1 PRO -0.0281
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+ 92 CD 9.0230 29.6950 -4.6930 C.3 1 PRO 0.0369
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+ 93 N 12.5360 30.9620 -7.5150 N.am 1 GLU -0.2636
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+ 94 CA 13.7680 31.7490 -7.5060 C.3 1 GLU 0.1325
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+ 95 C 13.5310 33.2140 -7.1470 C.2 1 GLU 0.2040
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+ 96 O 13.8420 34.1100 -7.9160 O.2 1 GLU -0.3944
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+ 97 CB 14.4650 31.6620 -8.8610 C.3 1 GLU -0.0008
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+ 98 CG 14.7180 30.2480 -9.3530 C.3 1 GLU 0.0044
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+ 99 CD 14.4510 30.1100 -10.8470 C.2 1 GLU 0.0350
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+ 100 OE1 15.4100 29.8650 -11.6170 O.co2 1 GLU -0.5690
113
+ 101 OE2 13.2760 30.2570 -11.2510 O.co2 1 GLU -0.5690
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+ 102 N 12.9200 33.4380 -5.9940 N.am 1 GLU -0.2636
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+ 103 CA 12.6600 34.7740 -5.4850 C.3 1 GLU 0.1325
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+ 104 C 13.3650 34.7550 -4.1360 C.2 1 GLU 0.2040
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+ 105 O 12.7320 34.7660 -3.0750 O.2 1 GLU -0.3944
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+ 106 CB 11.1570 35.0170 -5.3400 C.3 1 GLU -0.0008
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+ 107 CG 10.6590 36.2080 -6.1650 C.3 1 GLU 0.0044
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+ 108 CD 9.5290 35.8550 -7.1300 C.2 1 GLU 0.0350
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+ 109 OE1 8.7150 36.7560 -7.4420 O.co2 1 GLU -0.5690
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+ 110 OE2 9.4590 34.6880 -7.5860 O.co2 1 GLU -0.5690
123
+ 111 N 14.6890 34.6120 -4.2390 N.am 1 ALA -0.2640
124
+ 112 CA 15.6800 34.5300 -3.1570 C.3 1 ALA 0.1282
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+ 113 C 16.5640 33.3520 -3.5600 C.2 1 ALA 0.2031
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+ 114 O 17.6180 33.5500 -4.1590 O.2 1 ALA -0.3944
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+ 115 CB 15.0380 34.2690 -1.8060 C.3 1 ALA -0.0244
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+ 116 N 16.0880 32.1340 -3.2880 N.am 1 ALA -0.2698
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+ 117 CA 16.7870 30.8860 -3.6270 C.3 1 ALA 0.0916
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+ 118 C 16.1450 29.6840 -2.9360 C.2 1 ALA 0.0598
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+ 119 O 15.3990 29.8980 -1.9570 O.co2 1 ALA -0.5666
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+ 120 CB 18.2670 30.9680 -3.2600 C.3 1 ALA -0.0300
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+ 121 OXT 16.4060 28.5420 -3.3700 O.co2 1 ALA -0.5666
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+ 122 H1 14.6506 13.5810 22.3150 H 1 ARG 0.2015
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+ 123 H2 15.0404 14.8527 23.2848 H 1 ARG 0.2015
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+ 124 H3 16.2295 13.9165 22.6375 H 1 ARG 0.2015
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+ 125 H4 15.7030 14.6317 20.4194 H 1 ARG 0.1098
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+ 126 H5 13.3137 15.0032 20.7344 H 1 ARG 0.0347
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+ 127 H6 14.1128 16.5082 20.1661 H 1 ARG 0.0347
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+ 128 H7 14.1028 17.3719 22.4741 H 1 ARG 0.0302
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+ 129 H8 13.2739 15.8754 23.0218 H 1 ARG 0.0302
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+ 130 H9 11.4222 16.3937 21.3676 H 1 ARG 0.0689
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+ 131 H10 12.2216 17.9719 21.0562 H 1 ARG 0.0689
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+ 133 H12 12.8388 20.6189 23.3561 H 1 ARG 0.2615
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+ 134 H13 13.1514 19.3621 22.1291 H 1 ARG 0.2615
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+ 135 H14 10.2897 18.7651 24.9760 H 1 ARG 0.2615
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+ 136 H15 11.2384 20.2760 24.9665 H 1 ARG 0.2615
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+ 137 H16 17.7246 18.4344 21.8385 H 1 CPI 0.0524
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+ 138 H17 17.7351 18.6715 20.0580 H 1 CPI 0.0524
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+ 139 H18 19.6285 16.7615 21.5456 H 1 CPI 0.0285
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+ 140 H19 20.0742 18.4268 21.0409 H 1 CPI 0.0285
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+ 141 H20 20.6420 16.7640 19.3513 H 1 CPI 0.0268
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+ 142 H21 19.4268 17.9606 18.7872 H 1 CPI 0.0268
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+ 143 H22 19.0342 15.0544 19.4946 H 1 CPI 0.0312
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+ 144 H23 18.8105 15.8728 17.9113 H 1 CPI 0.0312
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+ 145 H24 16.6978 15.2399 19.2781 H 1 CPI 0.0802
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+ 146 H25 17.4894 16.3048 16.7884 H 1 NLE 0.1883
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+ 147 H26 15.5566 18.4574 16.6309 H 1 NLE 0.0800
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+ 148 H27 17.5303 19.5966 16.2540 H 1 NLE 0.0312
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+ 149 H28 16.6721 19.4793 14.6804 H 1 NLE 0.0312
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+ 150 H29 18.1491 17.6141 14.0324 H 1 NLE 0.0267
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+ 151 H30 19.0243 17.7812 15.5922 H 1 NLE 0.0267
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+ 152 H31 19.5970 20.0822 15.0336 H 1 NLE 0.0263
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+ 153 H32 18.7044 19.9336 13.4818 H 1 NLE 0.0263
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+ 154 H33 21.0961 19.9249 13.1466 H 1 NLE 0.0230
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+ 155 H34 20.3696 18.3511 12.6755 H 1 NLE 0.0230
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+ 156 H35 21.2622 18.4997 14.2273 H 1 NLE 0.0230
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+ 157 H36 14.8613 19.0111 14.2577 H 1 DOA 0.1851
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+ 159 H38 13.4734 16.6027 13.2854 H 1 DOA 0.0520
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+ 160 H39 14.9633 16.6318 11.5273 H 1 DOA 0.0285
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+ 161 H40 15.3042 18.3872 11.6979 H 1 DOA 0.0285
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+ 162 H41 14.0341 18.5473 9.8185 H 1 DOA 0.0266
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+ 163 H42 12.6738 18.4809 10.9897 H 1 DOA 0.0266
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+ 164 H43 12.4228 16.0694 10.5951 H 1 DOA 0.0265
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+ 165 H44 13.8241 16.0911 9.4714 H 1 DOA 0.0265
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+ 166 H45 12.5629 17.6603 7.9661 H 1 DOA 0.0265
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+ 167 H46 11.1528 17.5634 9.0747 H 1 DOA 0.0265
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+ 168 H47 11.2467 15.0150 8.7280 H 1 DOA 0.0265
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+ 169 H48 12.3911 15.3444 7.3833 H 1 DOA 0.0265
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+ 172 H51 11.6830 15.8649 5.3113 H 1 DOA 0.0265
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+ 174 H53 8.7602 16.7105 4.9305 H 1 DOA 0.0267
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+ 175 H54 9.4997 15.1422 4.4615 H 1 DOA 0.0267
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+ 177 H56 9.9035 17.8994 3.2490 H 1 DOA 0.0290
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+ 178 H57 8.9966 15.1963 2.2957 H 1 DOA 0.0502
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+ 179 H58 9.9232 16.2284 1.1543 H 1 DOA 0.0502
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+ 180 H59 7.3743 16.8376 3.6020 H 1 ASP 0.1884
193
+ 181 H60 5.2470 17.2990 1.8351 H 1 ASP 0.0819
194
+ 182 H61 5.3360 18.8885 4.3638 H 1 ASP 0.0478
195
+ 183 H62 5.6088 17.1212 4.5338 H 1 ASP 0.0478
196
+ 184 H63 7.9397 19.3018 2.2677 H 1 TYR 0.1885
197
+ 185 H64 6.6030 21.8188 2.0372 H 1 TYR 0.0821
198
+ 186 H65 8.9001 22.7580 1.8523 H 1 TYR 0.0453
199
+ 187 H66 9.5396 21.0804 1.7956 H 1 TYR 0.0453
200
+ 188 H67 9.3603 19.6180 3.7680 H 1 TYR 0.0530
201
+ 189 H68 8.0080 23.6744 3.9111 H 1 TYR 0.0530
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+ 190 H69 9.0824 19.4350 6.2142 H 1 TYR 0.0525
203
+ 191 H70 7.7378 23.4979 6.3546 H 1 TYR 0.0525
204
+ 192 H71 8.4282 20.5108 8.0692 H 1 TYR 0.2458
205
+ 193 H72 6.0723 23.1117 0.5804 H 1 GLU 0.1883
206
+ 194 H73 6.2010 22.4167 -2.2305 H 1 GLU 0.0801
207
+ 195 H74 5.3651 24.9167 -0.6914 H 1 GLU 0.0330
208
+ 196 H75 4.2994 23.6490 -1.3871 H 1 GLU 0.0330
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+ 197 H76 4.7708 24.3509 -3.6125 H 1 GLU 0.0433
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+ 198 H77 6.0997 25.4270 -3.0624 H 1 GLU 0.0433
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+ 199 H78 10.3366 23.9284 -2.9176 H 1 PRO 0.0802
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+ 200 H79 10.6686 23.7444 -5.2663 H 1 PRO 0.0313
213
+ 201 H80 9.0562 24.4390 -5.6462 H 1 PRO 0.0313
214
+ 202 H81 8.7593 22.0382 -5.8858 H 1 PRO 0.0287
215
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+ M END
507
+ $$$$
1eol/1eol_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1eol/1eol_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gz4/1gz4_ligand.mol2 ADDED
@@ -0,0 +1,104 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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18
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+
1gz4/1gz4_ligand.sdf ADDED
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The diff for this file is too large to render. See raw diff
 
1gz4/1gz4_protein_processed_fix.pdb ADDED
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1h2k/1h2k_ligand.mol2 ADDED
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+ $$$$
1h2k/1h2k_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1h2k/1h2k_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jgl/1jgl_ligand.mol2 ADDED
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+ $$$$
1jgl/1jgl_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jgl/1jgl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1kak/1kak_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
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+
5
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The diff for this file is too large to render. See raw diff
 
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+ M END
444
+ $$$$
1sje/1sje_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1sje/1sje_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uv5/1uv5_ligand.mol2 ADDED
@@ -0,0 +1,83 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
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+
5
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1uv5/1uv5_ligand.sdf ADDED
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+ $$$$
1uv5/1uv5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uv5/1uv5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xud/1xud_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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+
5
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12
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+
1xud/1xud_ligand.sdf ADDED
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1
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+ M END
108
+ $$$$
1xud/1xud_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xud/1xud_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ycm/1ycm_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
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11
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12
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163
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164
+ 40 79 1 0 0 0
165
+ 40 80 1 0 0 0
166
+ M END
167
+ $$$$