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]
100B0VUD616 77% 0.50 PF00764 C2_S119 - (9)2 - / - / 2 1
101B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
102B0VLA717 77% 0.58 PF01176 8 - (0)? - / - / - 0
103B0VTR720 77% 0.56 PF03971 10 - (5)1 - / - / - 0
104B0VSD717 77% 0.52 PF01507 C6_S15 - (4)1 - / 2 / - 1
105B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
106B0VT7020 77% 0.59 PF02769 C2_S136 - (0)5 - / - / 4 1
107B0VKU58 77% 0.58 PF00574 43 - (0)1 - / - / - 0
108B0VN0119 77% 0.44 PF00575 4 - (0)2 - / - / - 0
109B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
110B0VQS513 76% 0.60 PF00252 5 - (0)? - / - / - 0
111B0VSL018 76% 0.59 PF00549 19 - (17)? - / - / - 0
112B0VQU012 76% ? PF06827 12 - (0)? - / - / - 0
113B0VMQ815 76% 0.56 PF16363 C1_S162 - (57)3 - / - / 3 0
114B0VSP514 75% ? PF00118 25 - (0)1 - / - / - 0
115B0VSB920 75% 0.78 PF01979 C2_S17 - (4)2 - / - / 3 0
116B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3
117B0VLZ715 75% 0.70 PF16320 C5_S17 - (3)2 - / 1 / 1 0
118B0VND527 75% 0.55 PF00285 C7_S117 - (13)6 - / 1 / 9 2
119B0VSK819 75% 0.58 PF02817 6 - (1)? - / - / - 0
120B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
121B0VQS213 74% 0.72 PF00203 2 - (0)? - / - / - 0
122B0VNK219 74% 0.55 PF02874 C5_S124 - (0)1 - / - / 1 0
123B0VPA220 74% 0.56 PF00719 C5_S123 - (0)3 - / - / 1 0
124B0VQS316 74% 0.58 PF00237 1 - (0)? - / - / - 0
125B0VL7912 74% 0.63 PF00830 0 - (0)? - / - / - 0
126B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
127B0VKU420 74% 0.62 PF10431 C5_S122 - (0)1 - / - / 1 0
128B0VSE812 74% 0.60 PF00301 4 - (0)? - / - / - 0
129B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
130B0VKA418 74% 0.54 PF00121 6 - (1)? - / - / - 0
131B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
132B0VUC740 73% 0.53 PF00037 C4_S171 - (0)4 - / - / 40 1
133B0VR7017 73% 0.51 PF01926 C3_S163 - (0)8 - / 5 / 3 3
134B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
135B0VQU416 73% 0.55 PF01196 0 - (0)? - / - / - 0
136B0VQS118 73% ? PF03947 0 - (0)? - / - / - 0
137B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
138B0VTM227 72% 0.52 PF03144 C1_S129 - (0)7 - / 1 / 9 2
139B0VTG322 72% 0.50 PF03144 C1_S152 - (0)6 - / 9 / 5 2
140B0VUG319 72% 0.51 PF00317 C3_S116 - (16)3 - / 1 / 2 0
141B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
142B0VUW010 72% 0.61 PF00318 5 - (0)? - / - / - 0
143B0VSC224 72% 0.57 PF00547 C3_S14 - (0)2 - / - / 4 0
144B0VLI621 71% 0.62 PF00578 C1_S117 - (0)6 - / - / 2 0
145B0VV4316 71% ? PF00572 1 - (0)? - / - / - 0
146B0VSL121 71% 0.71 PF00549 C3_S123 - (17)2 - / 14 / - 1
147B0VLZ659 71% 0.50 PF04560 C5_S188 - (0)0 - / - / 28 0
148B0VNJ811 71% 0.30 PF00119 0 - (0)? - / - / - 0
149B0VQS719 71% 0.55 PF00366 0 - (0)? - / - / - 0
150B0VMA319 71% ? PF03946 5 - (0)1 - / - / - 0

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