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]
350B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3
351B0VLQ218 40% 0.43 PF00795 C3_S142 - (2)? - / 1 / 1 0
352B0VMR316 42% 0.47 PF00483 C2_S142 - (29)2 - / - / 2 0
353B0VMD820 41% 0.45 PF00293 C4_S142 - (22)3 - / - / 2 0
354B0VLE338 38% 0.64 PF01177 C3_S142 - (34)8 2 / - / 25 3
355B0VRN720 42% 0.59 PF14437 C4_S142 - (5)4 - / - / 2 1
356B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
357B0VNC825 45% 0.50 PF01243 C1_S142 - (12)6 - / - / 11 1
358B0VMY117 48% 0.54 PF13614 C2_S142 - (0)5 - / 6 / 4 3
359B0VMU015 47% 0.59 PF00440 42 - (0)? - / - / - 0
360B0VQA612 20% 0.13 PF04055 42 - (6)? - / - / - 0
361B0VU3615 50% 0.52 PF00890 C3_S141 - (31)4 4 / - / - 2
362B0VQ6920 37% 0.49 PF01565 41 - (34)? - / - / - 0
363B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
364B0VRS519 48% 0.44 PF02737 C1_S141 - (33)2 1 / 1 / - 0
365B0VQK319 49% 0.47 PF02774 C1_S141 - (22)3 2 / - / - 0
366B0VNG119 49% 0.59 PF03446 C1_S141 - (24)11 7 / 6 / 3 1
367B0VRW915 67% 0.53 PF00587 C1_S141 - (30)6 4 / 3 / 2 2
368B0VUV320 32% 0.46 PF02852 C3_S141 - (36)2 2 / - / - 0
369B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
370B0VSC017 36% 0.52 PF00583 41 - (26)? - / - / - 0
371B0VPG920 93% 0.48 PF00905 C2_S141 - (0)3 - / - / 3 2
372B0VNF514 26% 0.46 PF01266 41 - (28)? - / - / - 0
373B0VMZ922 48% 0.65 PF14437 C5_S141 - (8)4 - / - / 3 0
374B0VRV515 30% 0.20 PF00593 41 - (0)? - / - / - 0
375B0VUD819 59% 0.57 PF12464 41 - (23)3 - / - / - 0
376B0VMY728 48% 0.48 PF02348 C1_S141 - (33)10 - / 10 / 11 4
377B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
378B0VUG120 39% ? PF00512 C2_S141 - (36)8 2 / 6 / - 0
379B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
380B0VT3213 34% 0.50 PF00561 40 - (21)? - / - / - 0
381B0VQN721 37% 0.60 PF00848 C2_S140 - (0)2 - / - / 21 0
382B0VL7710 41% 0.52 PF00440 40 - (0)0 - / - / - 0
383B0VKT519 42% 0.52 PF01202 C2_S140 - (34)2 - / - / 1 0
384B0VMR418 36% 0.51 PF02348 C1_S140 - (31)3 - / - / 4 2
385B0VSD621 33% 0.51 PF03143 C4_S140 - (0)8 1 / 6 / 4 1
386B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
387B0VS5919 28% 0.52 PF00534 C1_S140 - (0)3 - / - / 3 0
388B0VUC521 45% 0.59 PF01596 C2_S140 - (28)4 - / - / 4 0
389B0VNX023 35% 0.48 PF02771 C2_S140 - (36)5 2 / 1 / 2 2
390B0VM9820 35% 0.51 PF00155 C1_S140 - (20)3 - / - / 2 0
391B0VPB720 37% 0.63 PF00977 C1_S140 - (1)9 2 / 4 / 4 1
392B0VNB017 38% ? PF00512 C4_S139 - (37)3 - / 3 / - 0
393B0VTP314 38% 0.50 PF00061 C1_S139 - (0)1 - / - / 1 0
394B0VRD623 33% 0.53 PF02771 C3_S139 - (32)5 2 / 5 / 1 2
395B0VR9610 33% 0.41 PF01266 39 - (26)? - / - / - 0
396B0VSH923 55% 0.50 PF00587 C2_S139 - (38)9 - / 6 / 6 2
397B0VM803 38% 0.45 PF00561 39 - (10)? - / - / - 0
398B0VR8412 47% 0.36 PF12833 39 - (0)? - / - / - 0
399B0VUA927 40% 0.51 PF02776 C7_S139 - (19)5 - / 8 / 1 2
400B0VME920 59% 0.58 PF03447 C3_S139 - (30)4 - / - / 2 1

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