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]
50B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
51B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
52B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
53B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
54B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
55B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
56B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
57B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
58B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
59B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
60B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
61B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
62B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
63B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
64B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
65B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
66B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
67B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
68B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
69B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
70B0VT3948 69% 0.51 PF00521 C4_S1111 - (0)8 - / 3 / 29 1
71B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
72B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
73B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
74B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
75B0VPR445 33% 0.45 PF04095 C6_S1189 - (8)20 - / 4 / 19 2
76B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
77B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2
78B0VSK544 52% 0.54 PF02910 C1_S151 - (45)6 29 / 1 / 2 1
79B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
80B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
81B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
82B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
83B0VQB544 47% 0.55 PF08501 C4_S164 - (58)11 7 / 4 / 26 3
84B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
85B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
86B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
87B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
88B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
89B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
90B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
91B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
92B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
93B0VSK941 63% 0.58 PF02852 C1_S160 - (52)4 27 / - / - 1
94B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
95B0VUC740 73% 0.53 PF00037 C4_S171 - (0)4 - / - / 40 1
96B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
97B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
98B0VUU440 41% 0.65 PF02219 C11_S171 - (59)6 28 / 2 / 3 1
99B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
100B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3

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