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]
50B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
51B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
52B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
53B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
54B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
55B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
56B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
57B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
58B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
59B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
60B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
61B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
62B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
63B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
64B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
65B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
66B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
67B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
68B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
69B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
70B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
71B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
72B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
73B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
74B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
75B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
76B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
77B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
78B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
79B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
80B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
81B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
82B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
83B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
84B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
85B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
86B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
87B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
88B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
89B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
90B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
91B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
92B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
93B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 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
96B0VNF623 40% 0.54 PF01168 C3_S133 - (21)14 - / 4 / 14 2
97B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
98B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
99B0VQ5229 51% 0.56 PF00625 C3_S143 - (34)14 5 / 10 / 7 5
100B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5

<< Page / 56 >> - Show