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]
100B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
101B0VTR720 77% 0.56 PF03971 10 - (5)1 - / - / - 0
102B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
103B0VSD717 77% 0.52 PF01507 C6_S15 - (4)1 - / 2 / - 1
104B0VT7020 77% 0.59 PF02769 C2_S136 - (0)5 - / - / 4 1
105B0VN0119 77% 0.44 PF00575 4 - (0)2 - / - / - 0
106B0VLA717 77% 0.58 PF01176 8 - (0)? - / - / - 0
107B0VUD616 77% 0.50 PF00764 C2_S119 - (9)2 - / - / 2 1
108B0VKU58 77% 0.58 PF00574 43 - (0)1 - / - / - 0
109B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
110B0VMQ815 76% 0.56 PF16363 C1_S162 - (57)3 - / - / 3 0
111B0VQU012 76% ? PF06827 12 - (0)? - / - / - 0
112B0VQS513 76% 0.60 PF00252 5 - (0)? - / - / - 0
113B0VSL018 76% 0.59 PF00549 19 - (17)? - / - / - 0
114B0VND527 75% 0.55 PF00285 C7_S117 - (13)6 - / 1 / 9 2
115B0VLZ715 75% 0.70 PF16320 C5_S17 - (3)2 - / 1 / 1 0
116B0VSB920 75% 0.78 PF01979 C2_S17 - (4)2 - / - / 3 0
117B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3
118B0VSK819 75% 0.58 PF02817 6 - (1)? - / - / - 0
119B0VSP514 75% ? PF00118 25 - (0)1 - / - / - 0
120B0VL7912 74% 0.63 PF00830 0 - (0)? - / - / - 0
121B0VQS316 74% 0.58 PF00237 1 - (0)? - / - / - 0
122B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
123B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
124B0VSE812 74% 0.60 PF00301 4 - (0)? - / - / - 0
125B0VNK219 74% 0.55 PF02874 C5_S124 - (0)1 - / - / 1 0
126B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
127B0VKU420 74% 0.62 PF10431 C5_S122 - (0)1 - / - / 1 0
128B0VKA418 74% 0.54 PF00121 6 - (1)? - / - / - 0
129B0VPA220 74% 0.56 PF00719 C5_S123 - (0)3 - / - / 1 0
130B0VQS213 74% 0.72 PF00203 2 - (0)? - / - / - 0
131B0VR7017 73% 0.51 PF01926 C3_S163 - (0)8 - / 5 / 3 3
132B0VQS118 73% ? PF03947 0 - (0)? - / - / - 0
133B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
134B0VQU416 73% 0.55 PF01196 0 - (0)? - / - / - 0
135B0VUC740 73% 0.53 PF00037 C4_S171 - (0)4 - / - / 40 1
136B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
137B0VTG322 72% 0.50 PF03144 C1_S152 - (0)6 - / 9 / 5 2
138B0VTM227 72% 0.52 PF03144 C1_S129 - (0)7 - / 1 / 9 2
139B0VSC224 72% 0.57 PF00547 C3_S14 - (0)2 - / - / 4 0
140B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
141B0VUW010 72% 0.61 PF00318 5 - (0)? - / - / - 0
142B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
143B0VUG319 72% 0.51 PF00317 C3_S116 - (16)3 - / 1 / 2 0
144B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
145B0VSA620 71% 0.60 PF02812 C8_S14 - (0)1 1 / - / - 1
146B0VLI621 71% 0.62 PF00578 C1_S117 - (0)6 - / - / 2 0
147B0VQS719 71% 0.55 PF00366 0 - (0)? - / - / - 0
148B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
149B0VSH612 71% 0.57 PF01016 2 - (0)? - / - / - 0
150B0VQU210 71% 0.52 PF01479 1 - (0)? - / - / - 0

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