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]
50B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
51B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
52B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
53B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
54B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
55B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
56B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
57B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
58B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
59B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
60B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
61B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
62B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
63B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
64B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
65B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
66B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
67B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
68B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
69B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
70B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
71B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
72B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
73B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
74B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
75B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
76B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
77B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
78B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
79B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
80B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
81B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
82B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
83B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
84B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
85B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
86B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
87B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
88B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
89B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
90B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
91B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
92B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
93B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
94B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
95B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
96B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
97B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
98B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
99B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
100B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8

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