Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 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]
50SAP01070 98% 0.875 PF00144 C1_S193 - (23)20 - / - / 44 17
51SA118949 100% 0.484 PF00521 C3_S192 - (0)8 - / 3 / 37 0
52SA025623 61% 0.611 PF00232 C3_S191 - (72)12 - / 2 / 8 6
53SA232729 34% 0.575 PF02776 C7_S190 - (61)13 - / 21 / - 6
54SA188570 44% 0.636 PF00271 C4_S189 - (0)16 17 / 16 / 24 5
55SA250017 52% 0.449 PF01266 C5_S189 - (77)2 2 / - / - 1
56SA234232 97% 0.577 PF00132 C2_S188 - (49)5 - / - / 18 2
57SA047457 100% 0.523 PF01288 C11_S188 - (36)20 1 / 25 / 28 11
58SA199171 81% 0.771 PF00232 C2_S188 - (65)20 - / - / 49 25
59SA015120 50% 0.475 PF00132 87 - (39)? - / - / - 0
60SA224024 36% 0.476 PF00135 C1_S186 - (6)4 - / - / 4 0
61SA226624 38% 0.577 PF00106 C1_S185 - (59)8 7 / 2 / 4 2
62SA044058 100% 0.734 PF01712 C2_S185 - (43)20 18 / 12 / 20 21
63SA079913 27% 0.507 PF07992 83 - (54)? - / - / - 0
64SA015717 46% 0.427 PF00551 83 - (62)? - / - / - 0
65SA225521 35% 0.510 PF00496 83 - (0)1 - / - / - 0
66SA170447 100% 0.591 PF00557 C2_S182 - (1)20 - / - / 28 14
67SA048726 49% 0.667 PF12464 C1_S182 - (56)6 - / - / 13 1
68SA047171 69% 0.584 PF00291 C3_S182 - (56)19 - / 10 / 56 8
69SA055912 38% 0.530 PF00583 C1_S181 - (40)1 - / - / 1 1
70SA072855 100% 0.536 PF00162 C9_S181 - (71)18 - / 21 / 23 9
71SA188757 100% 0.619 PF01820 C1_S181 - (57)11 - / 18 / 22 3
72SA198943 45% 0.595 PF00107 C1_S180 - (46)15 21 / 2 / 6 2
73SA080220 46% 0.559 PF07992 80 - (52)? - / - / - 0
74SA000642 99% 0.545 PF00521 C7_S180 - (0)9 - / 1 / 28 0
75SA03000 51% 0.430 PF00294 80 - (0)? - / - / - 0
76SA119614 32% 0.502 PF11798 80 - (72)? - / - / - 0
77SA008417 70% 0.394 PF07992 79 - (54)? - / - / - 0
78SA041859 48% 0.427 PF00291 C2_S179 - (54)16 - / 6 / 53 6
79SA053858 100% 0.645 PF03167 C8_S179 - (0)20 - / 2 / 33 12
80SA24299 46% 0.560 PF02863 78 - (0)4 - / - / - 0
81SA153126 61% 0.591 PF05222 C3_S178 - (67)9 11 / - / 6 2
82SA165622 57% 0.533 PF01230 C5_S178 - (0)7 - / 2 / 4 3
83SA07174 49% 0.442 PF00132 C2_S178 - (49)1 - / - / 1 0
84SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
85SA012223 58% 0.634 PF00106 C1_S177 - (59)6 2 / 1 / 1 1
86SA116088 40% 0.434 PF00565 C8_S177 - (0)6 - / 48 / 24 1
87SA086119 52% 0.576 PF01152 C4_S177 - (0)2 4 / - / - 1
88SA014720 36% 0.540 PF02719 C1_S177 - (68)12 4 / 6 / 5 5
89SA218820 33% 0.531 PF07992 C1_S177 - (51)1 - / - / 1 0
90SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25
91SA074679 99% 0.647 PF00565 C8_S176 - (0)6 - / 65 / 5 2
92SA142458 72% 0.659 PF08501 C4_S175 - (70)13 1 / 19 / 28 4
93SA143924 63% 0.501 PF00485 C1_S175 - (59)15 2 / 10 / 9 8
94SA011253 37% 0.445 PF00291 C2_S175 - (50)11 - / 4 / 40 4
95SA209829 46% 0.601 PF02826 C1_S175 - (58)14 1 / 10 / 4 4
96SA051120 51% 0.446 PF01370 C1_S174 - (58)4 15 / 1 / - 1
97SA063942 35% 0.365 PF00005 C2_S174 - (74)8 - / 26 / 7 5
98SA081851 70% 0.573 PF00202 C1_S174 - (54)8 - / 6 / 31 3
99SA051412 35% 0.643 PF01712 C1_S173 - (48)5 1 / 7 / 2 3
100SA094647 73% 0.579 PF02852 C1_S173 - (67)2 38 / - / - 1

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