Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001584 (Mycobacterium tuberculosis April 2016)

Download : Data.csv | 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]
50Rv163819 100% 0.492 PF00005 C1_S116 - (0)1 - / - / 1 0
51Rv082035 34% 0.562 PF00005 C1_S130 - (0)12 - / 13 / 14 6
52Rv007324 41% 0.577 PF00005 C1_S18 - (0)3 - / 1 / 3 2
53Rv098625 42% 0.516 PF00005 C1_S110 - (0)4 - / 2 / 2 1
54Rv3102c26 40% 0.531 PF00005 C1_S114 - (0)5 - / 2 / 2 2
55Rv174748 34% 0.579 PF00005 C4_S143 - (42)13 - / 1 / 27 6
56Rv1819c16 43% 0.325 PF00005 10 - (0)? - / - / - 0
57Rv146320 55% 0.678 PF00005 C1_S121 - (0)6 - / - / 4 3
58Rv1273c64 40% 0.423 PF00005 C1_S164 - (64)13 - / 28 / 20 8
59Rv2326c26 41% 0.450 PF00005 C1_S123 - (0)7 - / 4 / 8 3
60Rv134861 47% 0.382 PF00005 C3_S154 - (54)10 - / 34 / 12 6
61Rv019449 42% 0.375 PF00005 C1_S138 - (0)8 - / 23 / 5 6
62Rv1272c49 54% 0.478 PF00005 C1_S153 - (53)12 - / 28 / 3 7
63Rv0254c18 38% 0.484 PF00005 C6_S110 - (9)1 - / - / 1 1
64Rv1667c9 37% 0.453 PF00005 4 - (0)? - / - / - 0
65Rv293628 37% 0.521 PF00005 C1_S119 - (0)4 - / 7 / 2 2
66Rv00641 38% 0.579 PF00008 31 - (4)? - / - / - 0
67Rv0251c13 34% 0.461 PF00011 5 - (0)? - / - / - 0
68Rv2031c10 38% 0.547 PF00011 5 - (0)? - / - / - 0
69Rv1914c0 29% -0.005 PF00011 6 - (0)? - / - / - 0
70Rv031211 25% 0.440 PF00012 29 - (0)? - / - / - 0
71Rv2264c11 25% 0.433 PF00012 48 - (0)? - / - / - 0
72Rv188715 19% 0.359 PF00012 17 - (0)? - / - / - 0
73Rv035089 66% 0.630 PF00012 C4_S1111 - (0)20 8 / 57 / 9 9
74Rv12740 19% -0.021 PF00013 0 - (0)? - / - / - 0
75Rv01715 23% 0.368 PF00015 1 - (0)? - / - / - 0
76Rv04880 35% 0.076 PF00020 0 - (0)? - / - / - 0
77Rv1576c6 38% 0.274 PF00025 1 - (0)? - / - / - 0
78Rv2650c6 42% 0.277 PF00025 1 - (0)? - / - / - 0
79Rv32810 37% 0.069 PF00034 4 - (0)? - / - / - 0
80Rv2374c16 39% 0.450 PF00034 10 - (0)? - / - / - 0
81Rv31534 50% 0.348 PF00037 114 - (0)? - / - / - 0
82Rv117720 62% 0.544 PF00037 114 - (0)? - / - / - 0
83Rv2007c11 56% 0.322 PF00037 114 - (0)? - / - / - 0
84Rv30701 60% 0.126 PF00042 1 - (0)? - / - / - 0
85Rv1761c3 98% 0.069 PF00042 5 - (0)1 - / - / - 0
86Rv2169c0 34% 0.178 PF00042 0 - (0)? - / - / - 0
87Rv17750 37% -0.185 PF00042 3 - (0)? - / - / - 0
88Rv221719 99% 0.688 PF00044 C2_S116 - (10)4 - / - / 4 0
89Rv3535c18 100% 0.583 PF00044 C2_S130 - (13)1 1 / - / - 1
90Rv3708c36 100% 0.508 PF00044 C3_S177 - (45)20 9 / 13 / 18 9
91Rv143644 61% 0.564 PF00044 C2_S135 - (30)4 12 / 16 / - 2
92Rv37923 29% 0.273 PF00046 7 - (0)? - / - / - 0
93Rv2353c0 30% -0.219 PF00046 1 - (0)? - / - / - 0
94Rv1291c0 52% 0.224 PF00046 0 - (0)? - / - / - 0
95Rv169610 52% 0.565 PF00056 3 - (0)? - / - / - 0
96Rv3346c0 43% 0.113 PF00056 1 - (1)? - / - / - 0
97Rv3355c0 43% 0.101 PF00056 1 - (1)? - / - / - 0
98Rv124029 100% 0.542 PF00056 C4_S148 - (31)10 9 / 10 / 3 4
99Rv3770c0 48% -0.199 PF00059 60 - (0)? - / - / - 0
100Rv2075c11 24% 0.319 PF00059 C4_S12 - (1)1 - / - / 1 0

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