Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




 Query Sequence
Filter: 		Significants
SA found		 Seq Ident. 3D Core
(QMean Score)		 Classification code

 Binding Site Ligands Found
(Procognate)		 Profile Complexes by comparative docking
(ligands from PDB templates)

 Targets
for screening


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
450B0VKH20 31% 0.46 PF00303 16 - (8)? - / - / - 0
451B0VQ0518 50% 0.58 PF00311 C3_S16 - (0)0 - / - / 1 0
452B0VLR818 70% 0.68 PF00312 1 - (0)? - / - / - 0
453B0VVG519 62% 0.62 PF00313 C4_S133 - (0)4 1 / - / - 0
454B0VKB020 68% 0.70 PF00313 C1_S133 - (0)4 1 / - / - 0
455B0VU4210 53% 0.65 PF00313 9 - (0)? - / - / - 0
456B0VT8094 42% 0.49 PF00316 C7_S1101 - (96)11 - / 1 / 81 5
457B0VMH04 23% 0.61 PF00317 1 - (0)? - / - / - 0
458B0VUG319 72% 0.51 PF00317 C3_S116 - (16)3 - / 1 / 2 0
459B0VUU612 43% 0.42 PF00317 2 - (0)? - / - / - 0
460B0VUW010 72% 0.61 PF00318 5 - (0)? - / - / - 0
461B0VRT00 45% 0.48 PF00318 6 - (0)? - / - / - 0
462B0VKA118 34% 0.63 PF00326 9 - (0)? - / - / - 0
463B0VN950 37% 0.26 PF00326 1 - (0)? - / - / - 0
464B0VL0715 28% 0.39 PF00326 3 - (0)? - / - / - 0
465B0VQT610 68% ? PF00327 1 - (0)? - / - / - 0
466B0VPI518 37% 0.44 PF00328 C3_S16 - (0)1 - / - / 1 0
467B0VSM20 30% 0.27 PF00334 9 - (8)? - / - / - 0
468B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
469B0VUL72 33% 0.28 PF00337 1 - (0)? - / - / - 0
470B0VQR721 84% 0.72 PF00338 5 - (0)1 - / - / - 0
471B0VQ380 26% 0.40 PF00342 8 - (2)? - / - / - 0
472B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
473B0VQT820 58% 0.50 PF00344 3 - (0)? - / - / - 0
474B0VQT317 62% 0.57 PF00347 0 - (0)? - / - / - 0
475B0VTH20 33% 0.39 PF00348 18 - (0)? - / - / - 0
476B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
477B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
478B0VV0513 46% 0.58 PF00351 C1_S123 - (0)3 - / - / 2 0
479B0VSU80 38% 0.16 PF00354 6 - (0)? - / - / - 0
480B0VS780 23% 0.53 PF00355 4 - (0)? - / - / - 0
481B0VQL64 36% 0.51 PF00355 28 - (0)? - / - / - 0
482B0VVC30 32% 0.12 PF00356 0 - (0)? - / - / - 0
483B0VS360 35% 0.15 PF00356 1 - (0)? - / - / - 0
484B0VV2715 69% 0.54 PF00356 C2_S113 - (0)2 - / - / 5 0
485B0VP525 27% 0.38 PF00358 2 - (0)? - / - / - 0
486B0VU4520 60% 0.43 PF00361 3 - (0)? - / - / - 0
487B0VU4419 50% 0.37 PF00361 2 - (0)? - / - / - 0
488B0VLT715 28% 0.33 PF00361 2 - (0)? - / - / - 0
489B0VR9517 52% 0.61 PF00364 11 - (0)? - / - / - 0
490B0VQS719 71% 0.55 PF00366 0 - (0)? - / - / - 0
491B0VN050 42% 0.29 PF00368 4 - (4)? - / - / - 0
492B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
493B0VQL70 37% 0.24 PF00374 1 - (0)? - / - / - 0
494B0VU5413 38% 0.46 PF00374 20 - (0)? - / - / - 0
495B0VKH90 44% 0.38 PF00375 2 - (0)? - / - / - 0
496B0VR0720 34% ? PF00375 24 - (0)? - / - / - 0
497B0VU8220 45% ? PF00375 C2_S130 - (0)3 - / - / 3 0
498B0VL9820 35% ? PF00375 C9_S127 - (0)4 - / - / 4 0
499B0VUD30 36% -0.06 PF00377 0 - (0)? - / - / - 0
500B0VT9621 95% 0.65 PF00378 26 - (0)1 - / - / - 0

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