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]
500B0VL820 35% 0.15 PF00408 1 - (0)? - / - / - 0
501B0VMX115 45% 0.56 PF02545 C4_S17 - (0)3 - / - / 3 0
502B0VLD713 27% 0.38 PF02390 9 - (9)? - / - / - 0
503B0VL5213 23% 0.31 PF08241 13 - (0)? - / - / - 0
504B0VQF319 42% 0.56 PF13419 C1_S1140 - (0)3 - / - / 2 0
505B0VQU324 90% 0.55 PF01193 C1_S114 - (0)2 - / - / 2 0
506B0VLH019 43% 0.48 PF01170 C1_S110 - (0)2 - / 2 / - 0
507B0VN6019 18% 0.42 PF02353 29 - (16)? - / - / - 0
508B0VQ2518 57% 0.60 PF08245 C2_S152 - (30)6 1 / 2 / 3 0
509B0VUQ017 43% 0.59 PF08282 C1_S132 - (0)5 - / - / 6 0
510B0VQF011 49% 0.50 PF01144 6 - (0)? - / - / - 0
511B0VKT610 17% 0.37 -3 - (0)? - / - / - 0
512B0VTV30 37% 0.25 PF03685 1 - (0)? - / - / - 0
513B0VQ380 26% 0.40 PF00342 8 - (2)? - / - / - 0
514B0VMC212 31% 0.32 PF03061 20 - (0)? - / - / - 0
515B0VLH620 57% 0.50 PF02798 2 - (0)2 - / - / - 0
516B0VRK62 37% 0.46 PF00195 12 - (0)1 - / - / - 0
517B0VTU20 42% 0.44 PF00718 1 - (0)? - / - / - 0
518B0VKQ420 32% 0.37 PF02321 C6_S110 - (0)1 - / - / 1 0
519B0VQG20 41% 0.30 PF00275 1 - (0)? - / - / - 0
520B0VMR715 40% ? PF00534 36 - (18)? - / - / - 0
521B0VPD913 39% 0.69 PF02728 5 - (0)? - / - / - 0
522B0VTF120 67% 0.62 PF01656 C1_S160 - (58)7 2 / 10 / 1 0
523B0VU610 34% 0.59 PF00071 0 - (0)? - / - / - 0
524B0VKN420 53% 0.53 PF00694 C3_S135 - (14)10 - / - / 5 0
525B0VKY50 31% 0.49 PF06046 0 - (0)? - / - / - 0
526B0VK9720 42% 0.54 PF01546 8 - (0)? - / - / - 0
527B0VS686 21% 0.39 PF03968 4 - (0)? - / - / - 0
528B0VLW520 34% 0.37 PF13532 C4_S1102 - (0)2 - / - / 1 0
529B0VS2113 19% 0.32 PF02574 5 - (0)? - / - / - 0
530B0VNI00 29% 0.18 PF04998 15 - (0)? - / - / - 0
531B0VKG70 34% 0.67 PF00216 3 - (0)? - / - / - 0
532B0VUK90 33% 0.18 PF06384 3 - (0)? - / - / - 0
533B0VUL60 31% 0.31 PF02657 1 - (0)? - / - / - 0
534B0VPT04 39% 0.53 PF01261 13 - (0)? - / - / - 0
535B0VRT516 29% 0.11 PF00593 25 - (0)? - / - / - 0
536B0VTX117 44% 0.63 PF01386 1 - (0)1 - / - / - 0
537B0VTP113 42% 0.45 PF01661 12 - (0)? - / - / - 0
538B0VR470 45% 0.25 PF16565 2 - (0)? - / - / - 0
539B0VUE312 39% 0.23 PF01551 17 - (0)? - / - / - 0
540B0VP010 26% 0.44 PF03250 0 - (0)? - / - / - 0
541B0VRW014 37% 0.61 PF13181 5 - (0)? - / - / - 0
542B0VKN118 39% 0.49 PF03466 9 - (0)? - / - / - 0
543B0VM355 36% 0.53 PF02152 25 - (16)? - / - / - 0
544B0VKG60 33% ? PF00508 0 - (0)? - / - / - 0
545B0VSK719 59% 0.49 PF02779 8 - (6)? - / - / - 0
546B0VUS618 46% 0.46 PF00117 3 - (0)? - / - / - 0
547B0VQY615 37% 0.57 PF00782 5 - (0)? - / - / - 0
548B0VP7011 37% ? PF05860 0 - (0)? - / - / - 0
549B0VSA71 41% 0.59 PF00037 52 - (0)? - / - / - 0
550B0VNK318 60% 0.64 PF00231 2 - (0)? - / - / - 0

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