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]
50B0VUQ921 98% 0.57 PF01208 C1_S117 - (12)6 7 / 1 / - 2
51B0VV663 98% 0.64 PF01532 0 - (0)? - / - / - 0
52B0VNC215 98% 0.69 PF00534 23 - (14)0 - / - / - 0
53B0VQ579 97% 0.48 PF01782 3 - (0)? - / - / - 0
54B0VLV66 96% 0.56 PF07883 6 - (0)? - / - / - 0
55B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
56B0VT9621 95% 0.65 PF00378 26 - (0)1 - / - / - 0
57B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
58B0VPG920 93% 0.48 PF00905 C2_S141 - (0)3 - / - / 3 2
59B0VL2716 91% 0.62 PF02599 C2_S16 - (0)2 - / 3 / - 0
60B0VQH020 91% 0.74 PF12391 C9_S119 - (16)9 - / - / 6 3
61B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
62B0VQU324 90% 0.55 PF01193 C1_S114 - (0)2 - / - / 2 0
63B0VPV219 90% 0.63 PF01175 C5_S121 - (21)2 9 / - / - 1
64B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
65B0VLG622 88% 0.45 PF10431 C2_S120 - (0)6 1 / 12 / - 3
66B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
67B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
68B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
69B0VSL919 85% 0.69 PF02142 34 - (0)0 - / - / - 0
70B0VQR721 84% 0.72 PF00338 5 - (0)1 - / - / - 0
71B0VNW118 84% 0.55 PF01592 C1_S17 - (0)2 - / - / 2 0
72B0VTG523 84% 0.62 PF00164 8 - (0)0 - / - / - 0
73B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
74B0VM0912 83% 0.68 PF01084 1 - (0)? - / - / - 0
75B0VV8110 83% 0.52 PF07497 C4_S110 - (0)2 - / 5 / 5 0
76B0VLJ224 82% 0.57 PF03466 C2_S115 - (0)5 - / - / 9 2
77B0VKQ820 82% 0.56 PF01926 C3_S137 - (0)3 - / 4 / - 1
78B0VQS816 82% 0.57 PF00238 0 - (0)? - / - / - 0
79B0VQH418 81% 0.54 PF00206 C3_S111 - (0)1 - / - / 1 0
80B0VM5015 81% 0.82 PF00694 7 - (2)4 - / - / - 0
81B0VQG921 81% 0.54 PF00775 C6_S125 - (0)1 - / - / 1 1
82B0VNK420 81% 0.51 PF02874 C5_S124 - (0)1 - / - / 1 0
83B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
84B0VS469 81% 0.61 PF04303 C4_S14 - (0)3 - / - / 1 1
85B0VKX420 80% 0.79 PF00764 C3_S125 - (22)8 - / 1 / 4 2
86B0VV9115 80% 0.63 PF00453 2 - (0)? - / - / - 0
87B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
88B0VSM534 80% 0.66 PF01434 C3_S120 - (20)3 - / 12 / 5 2
89B0VUI526 80% 0.52 PF02771 C2_S150 - (40)6 1 / 6 / - 4
90B0VL802 79% ? PF00471 0 - (0)? - / - / - 0
91B0VQT520 79% 0.56 PF03719 4 - (0)? - / - / - 0
92B0VPV120 79% 0.87 PF00221 C5_S18 - (0)4 - / - / 3 0
93B0VQU114 79% 0.68 PF00411 1 - (0)? - / - / - 0
94B0VV4414 78% 0.58 PF00380 2 - (2)? - / - / - 0
95B0VST220 78% 0.56 PF00171 30 - (0)1 - / - / - 0
96B0VKC66 78% 0.77 PF00069 3 - (0)? - / - / - 0
97B0VU2219 78% 0.60 PF00692 C3_S127 - (18)2 - / - / 4 1
98B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
99B0VPC732 78% 0.54 PF02550 C4_S143 - (0)9 - / 7 / 24 3
100B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4

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