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]
100B0VKL819 38% 0.54 PF03446 C1_S135 - (26)4 1 / 1 / 2 0
101B0VKL99 34% 0.59 PF01261 C1_S133 - (0)2 - / - / 3 0
102B0VKM08 44% 0.68 PF03283 C5_S110 - (0)2 - / - / 1 0
103B0VKM218 35% 0.55 PF00106 33 - (23)1 - / - / - 0
104B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
105B0VKM42 45% 0.35 PF05693 6 - (0)2 - / - / - 0
106B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3
107B0VKM65 26% 0.37 -1 - (0)? - / - / - 0
108B0VKM717 33% 0.31 PF01042 14 - (0)1 - / - / - 0
109B0VKM817 30% 0.35 PF07690 23 - (0)? - / - / - 0
110B0VKM920 43% 0.62 PF01207 C3_S153 - (36)4 6 / 7 / - 1
111B0VKN013 39% ? PF03738 5 - (0)? - / - / - 0
112B0VKN118 39% 0.49 PF03466 9 - (0)? - / - / - 0
113B0VKN220 49% 0.60 PF00899 C1_S123 - (0)4 - / 12 / - 2
114B0VKN310 35% 0.41 PF01042 7 - (0)? - / - / - 0
115B0VKN420 53% 0.53 PF00694 C3_S135 - (14)10 - / - / 5 0
116B0VKN67 30% 0.47 PF00062 3 - (0)? - / - / - 0
117B0VKN75 50% 0.43 PF00887 2 - (0)? - / - / - 0
118B0VKN824 65% 0.56 PF03144 C2_S118 - (0)3 - / 8 / 2 2
119B0VKP30 25% 0.14 PF00503 12 - (12)? - / - / - 0
120B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
121B0VKP618 65% 0.59 PF01842 7 - (0)4 - / - / - 0
122B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
123B0VKP80 31% 0.18 PF07654 1 - (0)? - / - / - 0
124B0VKP922 59% 0.55 PF13603 C1_S116 - (0)4 - / 4 / 1 1
125B0VKQ019 100% 0.48 PF04390 C2_S13 - (0)1 - / - / 3 0
126B0VKQ120 29% 0.56 PF06144 17 - (0)? - / - / - 0
127B0VKQ216 45% 0.47 PF16576 4 - (0)? - / - / - 0
128B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
129B0VKQ420 32% 0.37 PF02321 C6_S110 - (0)1 - / - / 1 0
130B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
131B0VKQ62 28% ? PF00584 0 - (0)? - / - / - 0
132B0VKQ718 100% 0.59 PF00929 14 - (10)? - / - / - 0
133B0VKQ820 82% 0.56 PF01926 C3_S137 - (0)3 - / 4 / - 1
134B0VKQ910 34% 0.54 PF00581 7 - (0)? - / - / - 0
135B0VKR015 54% 0.90 PF00462 12 - (0)? - / - / - 0
136B0VKR114 52% 0.46 PF02556 0 - (0)? - / - / - 0
137B0VKR27 35% 0.15 PF01648 C4_S124 - (22)3 - / - / 3 0
138B0VKR415 65% 0.62 PF07670 C6_S136 - (0)3 1 / 6 / - 1
139B0VKR519 34% ? PF13360 29 - (18)? - / - / - 0
140B0VKR610 23% 0.46 PF04348 4 - (0)? - / - / - 0
141B0VKR722 99% 0.55 PF03129 C2_S121 - (8)6 - / 4 / 2 3
142B0VKR820 52% 0.63 PF04551 30 - (0)? - / - / - 0
143B0VKR915 33% 0.71 PF00717 3 - (0)? - / - / - 0
144B0VKS219 59% 0.56 PF04055 C4_S146 - (3)4 - / - / 13 0
145B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
146B0VKS45 52% 0.59 PF00098 9 - (0)? - / - / - 0
147B0VKS513 46% 0.33 PF01569 11 - (0)? - / - / - 0
148B0VKS616 37% ? PF00534 33 - (21)? - / - / - 0
149B0VKS720 37% 0.30 PF03572 2 - (0)? - / - / - 0
150B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8

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