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]
450B0VKQ718 100% 0.59 PF00929 14 - (10)? - / - / - 0
451B0VU610 34% 0.59 PF00071 0 - (0)? - / - / - 0
452B0VTY423 53% 0.59 PF00698 C1_S118 - (9)9 - / - / 5 1
453B0VN111 34% 0.59 PF01063 6 - (0)? - / - / - 0
454B0VR8120 49% 0.59 PF00155 C1_S134 - (27)6 - / - / 6 2
455B0VLI820 56% 0.59 PF08541 C1_S129 - (16)3 - / - / 1 0
456B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
457B0VPE80 50% 0.59 PF01155 0 - (0)? - / - / - 0
458B0VQ8421 63% 0.59 PF02812 10 - (0)1 - / - / - 0
459B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
460B0VRV117 28% 0.59 PF06094 7 - (0)? - / - / - 0
461B0VS6620 66% 0.59 PF00005 C1_S122 - (0)4 - / 8 / - 2
462B0VNG119 49% 0.59 PF03446 C1_S141 - (24)11 7 / 6 / 3 1
463B0VM440 38% 0.59 PF01204 4 - (0)? - / - / - 0
464B0VT7020 77% 0.59 PF02769 C2_S136 - (0)5 - / - / 4 1
465B0VSI020 54% 0.59 PF00590 C1_S130 - (25)3 - / 8 / - 1
466B0VNG620 34% 0.59 PF00378 C2_S122 - (8)6 - / - / 3 0
467B0VSP718 57% 0.59 PF00753 13 - (6)? - / - / - 0
468B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
469B0VSI820 35% 0.59 PF00465 C5_S137 - (32)6 1 / 2 / - 0
470B0VUF516 100% 0.59 PF01287 2 - (0)? - / - / - 0
471B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
472B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
473B0VKP618 65% 0.59 PF01842 7 - (0)4 - / - / - 0
474B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
475B0VP6126 37% 0.59 PF01177 C2_S136 - (26)8 - / 1 / 10 3
476B0VKK422 54% 0.59 PF02548 7 - (4)2 - / - / - 0
477B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
478B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
479B0VN2615 38% 0.59 PF00717 19 - (12)? - / - / - 0
480B0VKV84 53% 0.59 PF03734 14 - (0)? - / - / - 0
481B0VL9219 58% 0.59 PF00107 13 - (9)? - / - / - 0
482B0VMB816 64% 0.59 PF03900 C3_S115 - (0)4 4 / 1 / 1 2
483B0VMW519 36% 0.59 PF01037 23 - (0)? - / - / - 0
484B0VRD10 38% 0.59 PF00536 1 - (0)? - / - / - 0
485B0VNZ020 63% 0.59 PF00456 17 - (0)? - / - / - 0
486B0VM2615 60% 0.59 PF00472 0 - (0)? - / - / - 0
487B0VT040 29% 0.59 PF00503 5 - (5)? - / - / - 0
488B0VSA71 41% 0.59 PF00037 52 - (0)? - / - / - 0
489B0VV470 28% 0.59 PF09236 2 - (0)? - / - / - 0
490B0VUQ017 43% 0.59 PF08282 C1_S132 - (0)5 - / - / 6 0
491B0VRH40 42% 0.59 PF00905 12 - (0)? - / - / - 0
492B0VL736 56% 0.59 PF02472 1 - (0)? - / - / - 0
493B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
494B0VLH921 52% 0.59 PF02798 C2_S113 - (0)2 - / - / 4 0
495B0VUC521 45% 0.59 PF01596 C2_S140 - (28)4 - / - / 4 0
496B0VMU015 47% 0.59 PF00440 42 - (0)? - / - / - 0
497B0VSL018 76% 0.59 PF00549 19 - (17)? - / - / - 0
498B0VNR318 33% 0.59 PF01464 17 - (0)? - / - / - 0
499B0VKS45 52% 0.59 PF00098 9 - (0)? - / - / - 0
500B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1

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