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]
150B0VRA420 51% 0.47 PF02441 C4_S116 - (9)6 4 / - / 5 3
151B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
152B0VU2615 44% 0.53 PF01048 C2_S154 - (13)9 - / 4 / 4 3
153B0VPC732 78% 0.54 PF02550 C4_S143 - (0)9 - / 7 / 24 3
154B0VUY925 46% 0.48 PF00437 C3_S114 - (13)5 - / 2 / 6 3
155B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
156B0VP9325 43% 0.58 PF03641 C3_S120 - (0)10 - / - / 9 3
157B0VQN820 33% 0.51 PF01979 C2_S121 - (11)5 - / 2 / 6 3
158B0VV0323 47% 0.52 PF02771 C2_S143 - (39)6 1 / 6 / - 3
159B0VUU032 38% 0.44 PF12627 C3_S120 - (16)7 - / - / 14 3
160B0VMU426 62% 0.47 PF00696 C1_S129 - (16)8 - / 4 / 6 3
161B0VR7017 73% 0.51 PF01926 C3_S163 - (0)8 - / 5 / 3 3
162B0VTM930 65% 0.64 PF03740 C6_S127 - (26)6 - / - / 12 3
163B0VQK826 50% 0.54 PF02254 C3_S146 - (0)6 - / 5 / 8 3
164B0VLG622 88% 0.45 PF10431 C2_S120 - (0)6 1 / 12 / - 3
165B0VKR722 99% 0.55 PF03129 C2_S121 - (8)6 - / 4 / 2 3
166B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
167B0VPU130 52% 0.54 PF00926 C3_S126 - (0)8 - / - / 14 3
168B0VNG330 67% 0.53 PF02771 C2_S147 - (45)8 8 / 7 / 2 3
169B0VQB544 47% 0.55 PF08501 C4_S164 - (58)11 7 / 4 / 26 3
170B0VL2320 63% 0.53 PF00962 C1_S134 - (10)6 - / - / 8 3
171B0VMY117 48% 0.54 PF13614 C2_S142 - (0)5 - / 6 / 4 3
172B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
173B0VPK322 50% 0.83 PF01230 C2_S1131 - (0)9 - / - / 6 3
174B0VTL818 61% 0.54 PF02910 C2_S158 - (50)6 3 / - / 5 3
175B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
176B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
177B0VQI620 63% 0.48 PF00117 C3_S113 - (10)7 - / 1 / 8 3
178B0VQH020 91% 0.74 PF12391 C9_S119 - (16)9 - / - / 6 3
179B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
180B0VUW820 38% 0.53 PF13406 C4_S143 - (0)12 - / - / 7 2
181B0VS7120 54% 0.58 PF01406 C2_S130 - (15)6 - / 1 / 4 2
182B0VTM227 72% 0.52 PF03144 C1_S129 - (0)7 - / 1 / 9 2
183B0VSL420 57% 0.56 PF00579 C4_S138 - (31)9 - / - / 8 2
184B0VU2920 99% 0.57 PF01588 C1_S125 - (8)6 - / - / 5 2
185B0VM6318 53% 0.49 PF08676 C2_S125 - (0)3 8 / 1 / - 2
186B0VL5418 47% 0.48 PF01725 C4_S118 - (15)4 - / 7 / 2 2
187B0VP0829 44% 0.51 PF03372 C1_S1103 - (1)10 - / 11 / 5 2
188B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
189B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
190B0VL8917 67% 0.47 PF01396 C1_S110 - (0)6 2 / - / 4 2
191B0VM6420 52% 0.61 PF01715 C4_S127 - (7)9 - / - / 7 2
192B0VPG920 93% 0.48 PF00905 C2_S141 - (0)3 - / - / 3 2
193B0VSK420 40% 0.38 PF01127 C3_S135 - (0)3 - / 5 / - 2
194B0VUR518 57% 0.62 PF01227 C11_S124 - (0)6 - / 2 / 15 2
195B0VKX420 80% 0.79 PF00764 C3_S125 - (22)8 - / 1 / 4 2
196B0VKC015 63% 0.55 PF00156 C6_S17 - (1)3 - / 1 / 6 2
197B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
198B0VUX115 47% 0.35 PF14489 C8_S130 - (2)8 - / - / 9 2
199B0VSK229 69% 0.56 PF00285 C8_S119 - (15)6 - / 3 / 7 2
200B0VU2710 48% 0.55 PF00142 C2_S178 - (76)4 - / 4 / - 2

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