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]
50B0VQT416 58% 0.78 PF00861 0 - (0)? - / - / - 0
51B0VSR30 38% 0.77 PF01442 4 - (0)? - / - / - 0
52B0VKC66 78% 0.77 PF00069 3 - (0)? - / - / - 0
53B0VRD82 54% 0.77 PF07813 1 - (0)? - / - / - 0
54B0VKB90 68% 0.76 PF02801 0 - (0)? - / - / - 0
55B0VRQ10 28% 0.76 PF00498 0 - (0)? - / - / - 0
56B0VUN30 35% 0.76 PF13181 1 - (0)? - / - / - 0
57B0VLV20 35% 0.76 PF03604 0 - (0)? - / - / - 0
58B0VRQ20 36% 0.76 PF03449 3 - (3)? - / - / - 0
59B0VKV011 44% 0.76 PF01870 8 - (0)? - / - / - 0
60B0VMH30 33% 0.75 PF12998 4 - (0)? - / - / - 0
61B0VNR114 30% 0.75 PF03869 11 - (0)? - / - / - 0
62B0VPP917 48% 0.75 PF01399 6 - (0)? - / - / - 0
63B0VUQ122 68% 0.75 PF00834 C4_S121 - (9)5 - / - / 4 2
64B0VTJ17 48% 0.75 PF03562 4 - (0)? - / - / - 0
65B0VQH020 91% 0.74 PF12391 C9_S119 - (16)9 - / - / 6 3
66B0VV750 20% 0.74 PF01267 0 - (0)? - / - / - 0
67B0VR990 42% 0.74 PF00069 4 - (0)? - / - / - 0
68B0VS2314 67% 0.74 PF00403 C2_S118 - (12)2 - / - / 1 1
69B0VR970 37% 0.74 PF12777 2 - (0)? - / - / - 0
70B0VS770 39% 0.73 PF01381 20 - (0)? - / - / - 0
71B0VM163 22% 0.73 PF02213 0 - (0)? - / - / - 0
72B0VS810 42% 0.73 PF00670 1 - (0)? - / - / - 0
73B0VTL219 28% 0.73 PF12697 6 - (0)? - / - / - 0
74B0VKC19 28% 0.73 PF05569 6 - (0)? - / - / - 0
75B0VQS016 52% 0.73 PF00276 3 - (0)? - / - / - 0
76B0VP0913 48% 0.73 PF03960 4 - (0)? - / - / - 0
77B0VMH88 47% 0.73 PF00717 4 - (0)? - / - / - 0
78B0VUN913 41% 0.73 PF00717 4 - (0)? - / - / - 0
79B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
80B0VKC53 32% 0.72 PF13499 9 - (0)? - / - / - 0
81B0VM030 33% 0.72 PF02863 46 - (0)? - / - / - 0
82B0VUW20 29% 0.72 PF01176 3 - (0)? - / - / - 0
83B0VME816 39% 0.72 PF13098 3 - (0)? - / - / - 0
84B0VQS213 74% 0.72 PF00203 2 - (0)? - / - / - 0
85B0VQR721 84% 0.72 PF00338 5 - (0)1 - / - / - 0
86B0VSX90 34% 0.72 PF01322 4 - (0)? - / - / - 0
87B0VVC80 40% 0.72 PF00523 0 - (0)? - / - / - 0
88B0VP1611 40% 0.71 PF07311 4 - (0)? - / - / - 0
89B0VKR915 33% 0.71 PF00717 3 - (0)? - / - / - 0
90B0VKK712 44% 0.71 PF01336 14 - (0)? - / - / - 0
91B0VVB10 39% 0.71 PF01024 3 - (0)? - / - / - 0
92B0VT845 69% 0.71 PF02472 3 - (0)? - / - / - 0
93B0VNC415 34% 0.71 PF01022 0 - (0)? - / - / - 0
94B0VUX00 39% 0.71 PF07834 1 - (0)? - / - / - 0
95B0VQZ825 66% 0.71 PF00462 C5_S111 - (0)3 - / - / 9 0
96B0VKG36 36% 0.71 PF00717 19 - (0)? - / - / - 0
97B0VMD315 40% 0.71 PF00440 29 - (0)? - / - / - 0
98B0VTT80 29% 0.71 PF02686 1 - (0)? - / - / - 0
99B0VLF20 20% 0.71 PF01475 6 - (0)? - / - / - 0
100B0VLD915 50% 0.71 PF00753 C2_S130 - (10)2 - / - / 2 1

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