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]
50B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
51B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
52B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
53B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
54B0VRK836 45% 0.46 PF01451 C8_S129 - (2)13 - / 3 / 18 6
55B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
56B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
57B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
58B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
59B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
60B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
61B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
62B0VUB527 39% 0.43 PF00005 C1_S145 - (44)12 - / 7 / 13 6
63B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
64B0VPG118 42% 0.49 PF00905 C2_S123 - (0)10 - / 8 / 4 6
65B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
66B0VTW623 54% 0.55 PF01807 C4_S116 - (0)9 - / 4 / 5 6
67B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
68B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
69B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
70B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
71B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
72B0VPT529 60% 0.55 PF01380 C2_S116 - (14)11 - / - / 12 5
73B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
74B0VQ5229 51% 0.56 PF00625 C3_S143 - (34)14 5 / 10 / 7 5
75B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
76B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
77B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
78B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
79B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
80B0VT8094 42% 0.49 PF00316 C7_S1101 - (96)11 - / 1 / 81 5
81B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
82B0VKC718 62% 0.58 PF00814 C2_S132 - (31)10 - / 12 / 1 5
83B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
84B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5
85B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
86B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
87B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
88B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
89B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
90B0VM7124 62% 0.55 PF03950 C6_S142 - (36)10 - / 16 / 5 5
91B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
92B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
93B0VPN835 55% 0.54 PF00158 C5_S138 - (0)10 - / 7 / 12 5
94B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
95B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
96B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
97B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
98B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
99B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
100B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4

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