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]
150B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
151B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
152B0VQK021 59% 0.46 PF10431 C2_S116 - (0)6 1 / 8 / 4 3
153B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
154B0VSD621 33% 0.51 PF03143 C4_S140 - (0)8 1 / 6 / 4 1
155B0VT2420 47% 0.58 PF01336 C8_S133 - (23)8 1 / 6 / 1 2
156B0VKR415 65% 0.62 PF07670 C6_S136 - (0)3 1 / 6 / - 1
157B0VUI526 80% 0.52 PF02771 C2_S150 - (40)6 1 / 6 / - 4
158B0VV0323 47% 0.52 PF02771 C2_S143 - (39)6 1 / 6 / - 3
159B0VKL620 37% ? PF00512 C3_S133 - (31)6 1 / 3 / 2 0
160B0VKX614 53% 0.52 PF00724 C7_S191 - (45)3 1 / 3 / 1 1
161B0VSA810 69% 0.59 PF00730 C2_S1106 - (0)3 1 / 3 / - 0
162B0VQR121 45% 0.62 PF00042 C3_S171 - (10)5 1 / 2 / 4 0
163B0VQ2518 57% 0.60 PF08245 C2_S152 - (30)6 1 / 2 / 3 0
164B0VSI820 35% 0.59 PF00465 C5_S137 - (32)6 1 / 2 / - 0
165B0VM6920 41% 0.49 PF00149 C3_S124 - (0)5 1 / 1 / 3 1
166B0VKL819 38% 0.54 PF03446 C1_S135 - (26)4 1 / 1 / 2 0
167B0VS2521 42% 0.53 PF02525 C1_S1223 - (111)11 1 / 1 / 1 0
168B0VPY010 35% 0.69 PF12170 C1_S114 - (10)2 1 / 1 / - 0
169B0VRS519 48% 0.44 PF02737 C1_S141 - (33)2 1 / 1 / - 0
170B0VS3320 48% 0.50 PF00107 C1_S131 - (16)2 1 / - / 1 0
171B0VKB420 40% 0.60 PF01210 C2_S136 - (25)4 1 / - / 1 0
172B0VS1917 39% 0.50 PF00575 C5_S111 - (0)2 1 / - / 1 0
173B0VVG519 62% 0.62 PF00313 C4_S133 - (0)4 1 / - / - 0
174B0VKB020 68% 0.70 PF00313 C1_S133 - (0)4 1 / - / - 0
175B0VM789 42% 0.53 PF00171 C4_S126 - (26)1 1 / - / - 0
176B0VSA620 71% 0.60 PF02812 C8_S14 - (0)1 1 / - / - 1
177B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
178B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
179B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
180B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
181B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
182B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
183B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
184B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
185B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
186B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
187B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
188B0VMM659 41% 0.48 PF08402 C1_S156 - (0)12 - / 18 / 21 7
189B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
190B0VSS732 66% 0.51 PF01852 C1_S143 - (43)3 - / 17 / 16 1
191B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
192B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
193B0VM7124 62% 0.55 PF03950 C6_S142 - (36)10 - / 16 / 5 5
194B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
195B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
196B0VSL121 71% 0.71 PF00549 C3_S123 - (17)2 - / 14 / - 1
197B0VUC926 52% 0.51 PF00488 C3_S154 - (0)2 - / 13 / 11 0
198B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
199B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
200B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5

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