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]
50SA045750 52% 0.579 PF12804 C1_S160 - (42)18 - / 19 / 22 12
51SA0815101 54% 0.614 PF00160 C6_S1137 - (0)18 - / 48 / 8 3
52SA001642 70% 0.607 PF00709 C3_S172 - (55)18 - / 27 / 14 7
53SA207825 64% 0.510 PF01156 C1_S136 - (14)17 - / 10 / 14 9
54SA142235 99% 0.644 PF01467 C3_S167 - (37)17 4 / 11 / 12 4
55SA194048 53% 0.539 PF01048 C3_S143 - (26)17 - / - / 29 7
56SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
57SA130244 43% 0.521 PF00348 C1_S159 - (43)17 - / 1 / 28 8
58SA151742 79% 0.621 PF00180 C6_S156 - (52)16 2 / 13 / 23 5
59SA041859 48% 0.427 PF00291 C2_S179 - (54)16 - / 6 / 53 6
60SA157127 52% 0.617 PF01063 C6_S171 - (63)16 - / 8 / 13 5
61SA094241 100% 0.778 PF01327 C7_S149 - (15)16 - / 6 / 19 7
62SA065899 51% 0.652 PF00248 C7_S1156 - (120)16 66 / 10 / 3 4
63SA188570 44% 0.636 PF00271 C4_S189 - (0)16 17 / 16 / 24 5
64SA212743 44% 0.594 PF06026 C6_S138 - (15)16 - / - / 24 7
65SA149236 49% 0.611 PF00490 C8_S136 - (19)16 - / - / 19 2
66SA135247 99% 0.597 PF00348 C1_S162 - (48)16 - / 2 / 26 6
67SA191569 99% 0.597 PF00464 C1_S1108 - (55)16 - / 2 / 57 4
68SA030445 99% 0.599 PF00701 C5_S137 - (28)16 - / - / 25 6
69SA120143 36% 0.466 PF00591 C13_S173 - (28)15 - / 21 / 18 6
70SA198943 45% 0.595 PF00107 C1_S180 - (46)15 21 / 2 / 6 2
71SA143924 63% 0.501 PF00485 C1_S175 - (59)15 2 / 10 / 9 8
72SA186347 54% 0.529 PF00180 C5_S154 - (47)15 - / 9 / 22 3
73SA202799 70% 0.544 PF05191 C3_S1144 - (131)15 64 / 29 / 5 7
74SA120465 64% 0.602 PF00291 C3_S196 - (90)15 6 / 10 / 36 9
75SA223746 43% 0.540 PF08402 C2_S146 - (0)15 - / 12 / 12 6
76SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
77SA189420 42% 0.658 PF02581 C2_S146 - (37)15 - / 10 / 13 5
78SA003924 100% 0.463 PF00905 C5_S137 - (0)15 - / - / 17 6
79SA200144 55% 0.533 PF00248 C6_S1105 - (64)15 18 / 2 / 6 4
80SA221662 51% 0.437 PF00005 C1_S162 - (60)14 - / 36 / 6 7
81SA199718 40% 0.583 PF02502 C3_S121 - (10)14 - / - / 4 2
82SA017956 53% 0.550 PF00202 C1_S172 - (53)14 - / 9 / 34 6
83SA091527 49% 0.672 PF02882 C5_S149 - (41)14 2 / 18 / 8 5
84SA105239 99% 0.560 PF00625 C2_S151 - (37)14 4 / 13 / 12 5
85SA054829 99% 0.442 PF00288 C1_S151 - (27)14 - / 13 / 4 3
86SA114140 99% 0.510 PF00370 C4_S159 - (59)14 - / 1 / 19 4
87SA214723 64% 0.677 PF01047 C1_S131 - (0)14 - / - / 8 4
88SA150623 43% 0.521 PF07973 C1_S125 - (9)14 1 / 8 / 9 7
89SA1513101 57% 0.542 PF00476 C4_S1289 - (207)14 52 / 23 / 11 3
90SA209829 46% 0.601 PF02826 C1_S175 - (58)14 1 / 10 / 4 4
91SA167440 62% 0.637 PF08402 C1_S135 - (0)14 - / 17 / 15 7
92SA107850 53% 0.641 PF02978 C6_S163 - (0)14 4 / 15 / 12 3
93SA202147 45% 0.463 PF00005 C1_S152 - (0)14 - / 3 / 25 7
94SA120226 39% 0.533 PF00218 C3_S136 - (9)13 - / 5 / 5 6
95SAP01121 93% 0.537 PF00905 C1_S134 - (1)13 - / 1 / 13 6
96SA139737 52% 0.485 PF00383 C5_S144 - (27)13 - / - / 29 6
97SA042061 52% 0.518 PF00005 C1_S163 - (0)13 - / 23 / 22 7
98SA160668 56% 0.498 PF00248 C7_S1156 - (118)13 36 / 7 / 4 3
99SA232729 34% 0.575 PF02776 C7_S190 - (61)13 - / 21 / - 6
100SA144625 50% 0.443 PF07973 C2_S122 - (19)13 1 / 4 / 7 6

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