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]
100B0VVC50 55% 0.02 PF00067 1 - (0)? - / - / - 0
101B0VQ142 42% 0.65 PF00067 9 - (0)? - / - / - 0
102B0VLA80 25% 0.33 PF00067 11 - (0)? - / - / - 0
103B0VLC74 33% 0.33 PF00069 2 - (0)? - / - / - 0
104B0VRD23 29% 0.40 PF00069 4 - (0)? - / - / - 0
105B0VKC66 78% 0.77 PF00069 3 - (0)? - / - / - 0
106B0VKD120 36% 0.38 PF00069 59 - (18)? - / - / - 0
107B0VSZ20 39% 0.23 PF00069 9 - (0)? - / - / - 0
108B0VMW10 28% 0.40 PF00069 15 - (0)? - / - / - 0
109B0VQU92 28% 0.30 PF00069 2 - (0)? - / - / - 0
110B0VNX216 29% 0.49 PF00069 26 - (5)1 - / - / - 0
111B0VRE10 30% 0.31 PF00069 2 - (2)? - / - / - 0
112B0VLS89 26% 0.52 PF00069 18 - (3)? - / - / - 0
113B0VMN817 65% 0.64 PF00069 C1_S133 - (24)2 - / 3 / - 0
114B0VLD116 26% 0.46 PF00069 C2_S118 - (3)1 - / - / 1 0
115B0VR990 42% 0.74 PF00069 4 - (0)? - / - / - 0
116B0VM3413 21% ? PF00069 19 - (5)? - / - / - 0
117B0VKG90 39% 0.26 PF00069 4 - (0)? - / - / - 0
118B0VU610 34% 0.59 PF00071 0 - (0)? - / - / - 0
119B0VSZ36 34% 0.17 PF00071 11 - (0)? - / - / - 0
120B0VMB79 37% 0.67 PF00072 6 - (0)? - / - / - 0
121B0VNB218 43% 0.53 PF00072 21 - (0)? - / - / - 0
122B0VMF217 37% 0.70 PF00072 14 - (0)? - / - / - 0
123B0VRX417 41% 0.58 PF00072 31 - (0)? - / - / - 0
124B0VTP014 35% 0.32 PF00072 32 - (0)? - / - / - 0
125B0VQH90 42% ? PF00072 3 - (0)? - / - / - 0
126B0VRX516 37% 0.67 PF00072 27 - (0)1 - / - / - 0
127B0VP1220 39% 0.26 PF00072 C5_S150 - (0)2 - / - / 2 0
128B0VN8621 40% 0.36 PF00072 C5_S160 - (0)2 - / - / 2 0
129B0VLX90 30% 0.24 PF00076 0 - (0)? - / - / - 0
130B0VL850 42% 0.80 PF00076 57 - (0)? - / - / - 0
131B0VNQ10 32% 0.24 PF00079 12 - (0)? - / - / - 0
132B0VNI42 41% 0.48 PF00079 4 - (0)1 - / - / - 0
133B0VQ7421 59% 0.60 PF00080 10 - (0)1 - / - / - 0
134B0VUT736 64% 0.70 PF00081 19 - (0)2 - / - / - 0
135B0VV180 27% 0.30 PF00082 3 - (0)? - / - / - 0
136B0VQ9324 34% 0.49 PF00082 C3_S113 - (0)4 - / - / 3 0
137B0VNL017 27% 0.31 PF00083 16 - (0)? - / - / - 0
138B0VKF115 24% 0.24 PF00083 16 - (0)? - / - / - 0
139B0VRG912 28% ? PF00083 21 - (0)? - / - / - 0
140B0VUH513 48% 0.25 PF00083 21 - (0)? - / - / - 0
141B0VNG714 31% 0.36 PF00083 23 - (0)? - / - / - 0
142B0VQH213 30% 0.37 PF00083 32 - (0)? - / - / - 0
143B0VSN316 30% 0.27 PF00083 38 - (0)? - / - / - 0
144B0VP9719 27% 0.38 PF00083 27 - (0)? - / - / - 0
145B0VUI417 27% 0.34 PF00083 28 - (0)? - / - / - 0
146B0VM4617 15% 0.29 PF00083 21 - (0)? - / - / - 0
147B0VLZ10 42% 0.04 PF00083 3 - (0)? - / - / - 0
148B0VR080 26% -0.03 PF00083 2 - (0)? - / - / - 0
149B0VU8016 18% 0.35 PF00083 14 - (0)? - / - / - 0
150B0VN7519 41% 0.39 PF00083 17 - (0)? - / - / - 0

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