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]
150B0VRN817 99% 0.67 PF12796 15 - (0)? - / - / - 0
151B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
152B0VRM74 27% 0.67 PF01842 7 - (0)? - / - / - 0
153B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
154B0VTU10 45% 0.67 PF00118 1 - (0)? - / - / - 0
155B0VQ5916 69% 0.67 PF01245 1 - (0)? - / - / - 0
156B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
157B0VKG70 34% 0.67 PF00216 3 - (0)? - / - / - 0
158B0VMM517 44% 0.67 PF00440 C1_S142 - (0)2 - / - / 1 1
159B0VN8019 31% 0.67 PF03070 C5_S135 - (11)7 - / - / 6 1
160B0VQ6824 61% 0.67 PF02826 C1_S177 - (31)9 7 / - / 4 2
161B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
162B0VTW014 26% 0.67 PF08124 7 - (0)? - / - / - 0
163B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
164B0VT1824 55% 0.67 PF00106 C1_S198 - (59)6 - / 2 / 6 1
165B0VL932 44% 0.67 PF00400 2 - (0)? - / - / - 0
166B0VMB79 37% 0.67 PF00072 6 - (0)? - / - / - 0
167B0VUM24 38% 0.67 -0 - (0)? - / - / - 0
168B0VRX516 37% 0.67 PF00072 27 - (0)1 - / - / - 0
169B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
170B0VTZ116 44% 0.67 PF01047 5 - (0)? - / - / - 0
171B0VTW516 36% 0.67 PF13181 4 - (0)? - / - / - 0
172B0VRW117 38% 0.67 PF13098 C3_S14 - (0)1 - / - / 2 0
173B0VSM36 51% 0.67 PF01985 5 - (0)2 - / - / - 0
174B0VTY020 98% 0.67 PF08543 C4_S133 - (23)5 - / - / 4 1
175B0VTR913 30% 0.66 PF07825 7 - (0)? - / - / - 0
176B0VU0514 45% 0.66 PF07702 13 - (0)1 - / - / - 0
177B0VTS84 32% 0.66 PF01381 17 - (0)? - / - / - 0
178B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
179B0VNQ70 34% 0.66 PF00089 0 - (0)? - / - / - 0
180B0VN300 25% 0.66 PF03091 1 - (0)? - / - / - 0
181B0VLK912 30% 0.66 PF03604 0 - (0)? - / - / - 0
182B0VKH712 28% 0.66 PF03604 0 - (0)? - / - / - 0
183B0VMA07 38% 0.66 PF02887 7 - (0)0 - / - / - 0
184B0VSM534 80% 0.66 PF01434 C3_S120 - (20)3 - / 12 / 5 2
185B0VL670 25% 0.66 PF05151 0 - (0)? - / - / - 0
186B0VQC616 29% 0.66 PF01740 5 - (0)? - / - / - 0
187B0VM5917 39% 0.66 PF00583 48 - (32)? - / - / - 0
188B0VLQ610 50% 0.66 PF00114 28 - (0)? - / - / - 0
189B0VS6930 43% 0.66 PF08282 C2_S127 - (0)9 - / - / 6 3
190B0VR7813 48% 0.66 PF14552 13 - (1)? - / - / - 0
191B0VR740 32% 0.65 PF01977 1 - (0)? - / - / - 0
192B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
193B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
194B0VMZ922 48% 0.65 PF14437 C5_S141 - (8)4 - / - / 3 0
195B0VQ6510 48% 0.65 PF05889 7 - (0)? - / - / - 0
196B0VLT47 33% 0.65 PF02463 9 - (0)? - / - / - 0
197B0VP556 39% 0.65 PF12796 34 - (0)? - / - / - 0
198B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
199B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
200B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2

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