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]
50B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
51B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
52B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
53B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
54B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
55B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
56B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
57B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
58B0VTW623 54% 0.55 PF01807 C4_S116 - (0)9 - / 4 / 5 6
59B0VUB527 39% 0.43 PF00005 C1_S145 - (44)12 - / 7 / 13 6
60B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
61B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
62B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
63B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
64B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
65B0VRK836 45% 0.46 PF01451 C8_S129 - (2)13 - / 3 / 18 6
66B0VPG118 42% 0.49 PF00905 C2_S123 - (0)10 - / 8 / 4 6
67B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
68B0VT8094 42% 0.49 PF00316 C7_S1101 - (96)11 - / 1 / 81 5
69B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
70B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
71B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
72B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
73B0VQ5229 51% 0.56 PF00625 C3_S143 - (34)14 5 / 10 / 7 5
74B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
75B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
76B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
77B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
78B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
79B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
80B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
81B0VPN835 55% 0.54 PF00158 C5_S138 - (0)10 - / 7 / 12 5
82B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
83B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
84B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
85B0VM7124 62% 0.55 PF03950 C6_S142 - (36)10 - / 16 / 5 5
86B0VKC718 62% 0.58 PF00814 C2_S132 - (31)10 - / 12 / 1 5
87B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
88B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
89B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
90B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
91B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5
92B0VPT529 60% 0.55 PF01380 C2_S116 - (14)11 - / - / 12 5
93B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
94B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
95B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
96B0VT3022 98% 0.55 PF01678 C4_S111 - (4)6 - / - / 6 4
97B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
98B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
99B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
100B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4

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