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]
450B0VMJ020 47% 0.58 PF00117 8 - (2)? - / - / - 0
451B0VQU620 49% 0.55 PF02771 C2_S142 - (37)5 3 / 3 / - 1
452B0VR8720 65% 0.58 PF00155 C1_S133 - (28)5 - / 1 / 3 1
453B0VPZ220 28% 0.47 PF00155 38 - (0)? - / - / - 0
454B0VLN420 40% 0.62 PF13404 46 - (0)? - / - / - 0
455B0VRA420 51% 0.47 PF02441 C4_S116 - (9)6 4 / - / 5 3
456B0VQQ920 55% 0.53 PF01926 C2_S160 - (0)4 - / 8 / - 2
457B0VSI020 54% 0.59 PF00590 C1_S130 - (25)3 - / 8 / - 1
458B0VPV120 79% 0.87 PF00221 C5_S18 - (0)4 - / - / 3 0
459B0VRT120 40% 0.61 PF01126 C6_S126 - (0)4 3 / - / - 1
460B0VS3320 48% 0.50 PF00107 C1_S131 - (16)2 1 / - / 1 0
461B0VQX820 35% 0.49 PF10637 C3_S132 - (0)5 - / 1 / 3 1
462B0VNK420 81% 0.51 PF02874 C5_S124 - (0)1 - / - / 1 0
463B0VQV420 42% 0.54 PF01432 11 - (0)? - / - / - 0
464B0VPA820 27% 0.51 PF01636 31 - (13)? - / - / - 0
465B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
466B0VUW820 38% 0.53 PF13406 C4_S143 - (0)12 - / - / 7 2
467B0VP1220 39% 0.26 PF00072 C5_S150 - (0)2 - / - / 2 0
468B0VRC020 32% 0.49 PF00534 39 - (22)? - / - / - 0
469B0VSR720 44% 0.52 PF00884 C2_S117 - (0)5 - / - / 4 0
470B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
471B0VS1820 45% 0.58 PF02545 C5_S18 - (3)2 - / - / 2 1
472B0VP9920 33% 0.56 PF13193 C2_S164 - (24)7 - / 2 / 3 0
473B0VP1120 34% 0.62 PF07859 11 - (0)2 - / - / - 0
474B0VUP220 47% 0.47 PF00452 66 - (0)? - / - / - 0
475B0VUG120 39% ? PF00512 C2_S141 - (36)8 2 / 6 / - 0
476B0VV9820 61% 0.57 PF02798 C1_S14 - (0)1 - / - / 1 0
477B0VLF420 33% 0.33 PF03583 13 - (0)1 - / - / - 0
478B0VMS120 31% 0.49 PF03721 28 - (15)? - / - / - 0
479B0VLW520 34% 0.37 PF13532 C4_S1102 - (0)2 - / - / 1 0
480B0VLK720 45% 0.52 PF02142 C7_S114 - (8)2 - / - / 2 1
481B0VMY520 98% ? PF00005 C2_S180 - (78)9 - / 3 / 1 0
482B0VLL920 40% 0.54 PF05853 C5_S120 - (2)5 - / - / 4 0
483B0VPA220 74% 0.56 PF00719 C5_S123 - (0)3 - / - / 1 0
484B0VPZ020 55% 0.52 PF03352 C3_S128 - (0)6 - / - / 5 1
485B0VPW520 68% 0.47 PF00903 C2_S112 - (0)6 - / 1 / 5 0
486B0VPZ120 35% 0.50 PF00107 39 - (26)1 - / - / - 0
487B0VK9720 42% 0.54 PF01546 8 - (0)? - / - / - 0
488B0VR4120 63% 0.64 PF04055 C3_S197 - (11)3 - / - / 6 0
489B0VU4520 60% 0.43 PF00361 3 - (0)? - / - / - 0
490B0VRL120 33% 0.54 PF00465 C2_S134 - (32)6 - / 2 / 3 0
491B0VKM920 43% 0.62 PF01207 C3_S153 - (36)4 6 / 7 / - 1
492B0VMW620 55% 0.51 PF00266 44 - (25)1 - / - / - 0
493B0VQD420 63% 0.52 PF12706 6 - (0)? - / - / - 0
494B0VTC820 49% 0.60 PF01168 C2_S129 - (18)3 - / - / 5 1
495B0VQR520 29% 0.47 PF01053 C1_S127 - (21)1 - / - / 1 0
496B0VM4120 52% 0.60 PF00486 12 - (0)3 - / - / - 0
497B0VMQ720 34% 0.50 PF03721 C1_S131 - (0)4 - / 3 / 5 0
498B0VLF920 44% 0.56 PF16576 4 - (0)? - / - / - 0
499B0VRM520 37% 0.57 PF01037 29 - (0)? - / - / - 0
500B0VKN220 49% 0.60 PF00899 C1_S123 - (0)4 - / 12 / - 2

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