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]
50SA072855 100% 0.536 PF00162 C9_S181 - (71)18 - / 21 / 23 9
51SA011253 37% 0.445 PF00291 C2_S175 - (50)11 - / 4 / 40 4
52SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
53SA168153 49% 0.634 PF00202 C1_S198 - (43)20 - / - / 49 8
54SA104352 57% 0.558 PF02729 C6_S156 - (42)20 - / 19 / 13 7
55SA084351 100% 0.542 PF02801 C4_S152 - (5)20 - / 7 / 19 9
56SA085251 38% 0.479 PF00005 C1_S147 - (0)8 - / 2 / 31 5
57SA081851 70% 0.573 PF00202 C1_S174 - (54)8 - / 6 / 31 3
58SA107850 53% 0.641 PF02978 C6_S163 - (0)14 4 / 15 / 12 3
59SA149150 74% 0.618 PF00202 C1_S1124 - (56)18 - / - / 49 7
60SA045750 52% 0.579 PF12804 C1_S160 - (42)18 - / 19 / 22 12
61SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
62SA118949 100% 0.484 PF00521 C3_S192 - (0)8 - / 3 / 37 0
63SA102949 100% 0.668 PF00091 C6_S158 - (0)10 1 / 31 / 12 5
64SA013748 40% 0.548 PF08402 C1_S146 - (0)11 - / 16 / 19 6
65SA233748 48% 0.457 PF07670 C9_S165 - (0)11 5 / 28 / 10 7
66SA143448 59% 0.583 PF02786 C1_S168 - (33)20 - / 20 / 23 18
67SA075648 97% 0.565 PF01487 C5_S152 - (40)20 - / - / 39 9
68SA194048 53% 0.539 PF01048 C3_S143 - (26)17 - / - / 29 7
69SA013148 55% 0.495 PF01048 C2_S149 - (24)20 - / - / 34 12
70SA170447 100% 0.591 PF00557 C2_S182 - (1)20 - / - / 28 14
71SA135247 99% 0.597 PF00348 C1_S162 - (48)16 - / 2 / 26 6
72SA099747 51% 0.653 PF01177 C1_S152 - (35)10 - / 1 / 37 4
73SA094647 73% 0.579 PF02852 C1_S173 - (67)2 38 / - / - 1
74SA186347 54% 0.529 PF00180 C5_S154 - (47)15 - / 9 / 22 3
75SA202147 45% 0.463 PF00005 C1_S152 - (0)14 - / 3 / 25 7
76SA020646 51% 0.526 PF00005 C2_S132 - (0)10 - / 11 / 15 5
77SA220446 54% 0.455 PF00300 C1_S143 - (36)13 - / - / 22 5
78SA223746 43% 0.540 PF08402 C2_S146 - (0)15 - / 12 / 12 6
79SA117246 79% 0.538 PF00478 C2_S158 - (41)19 - / 7 / 24 3
80SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
81SA029746 38% 0.601 PF00005 C1_S141 - (0)12 - / 13 / 15 5
82SA234145 59% 0.556 PF00171 C4_S165 - (0)19 1 / 20 / 9 4
83SA151045 64% 0.584 PF00044 C1_S155 - (25)6 7 / 15 / 7 2
84SA030445 99% 0.599 PF00701 C5_S137 - (28)16 - / - / 25 6
85SA207245 39% 0.549 PF08402 C1_S134 - (0)13 - / - / 25 6
86SA130244 43% 0.521 PF00348 C1_S159 - (43)17 - / 1 / 28 8
87SA200144 55% 0.533 PF00248 C6_S1105 - (64)15 18 / 2 / 6 4
88SA067744 46% 0.621 PF08402 C1_S128 - (0)12 - / 16 / 8 5
89SA135744 100% 0.560 PF02786 C2_S168 - (32)20 1 / 15 / 26 18
90SA037544 73% 0.541 PF00478 C2_S164 - (45)19 - / 14 / 23 6
91SA095044 46% 0.580 PF08402 C2_S129 - (0)12 - / 8 / 16 7
92SA198943 45% 0.595 PF00107 C1_S180 - (46)15 21 / 2 / 6 2
93SA122743 99% 0.643 PF00701 C3_S167 - (64)7 - / - / 5 0
94SA212743 44% 0.594 PF06026 C6_S138 - (15)16 - / - / 24 7
95SA099243 100% 0.718 PF00085 C1_S134 - (0)6 - / - / 8 0
96SA120143 36% 0.466 PF00591 C13_S173 - (28)15 - / 21 / 18 6
97SA239542 59% 0.686 PF00056 C5_S142 - (32)6 3 / 24 / 2 3
98SA001642 70% 0.607 PF00709 C3_S172 - (55)18 - / 27 / 14 7
99SA063942 35% 0.365 PF00005 C2_S174 - (74)8 - / 26 / 7 5
100SA000642 99% 0.545 PF00521 C7_S180 - (0)9 - / 1 / 28 0

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