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]
50SA069320 100% 0.796 PF02873 C1_S160 - (44)2 7 / - / 1 1
51SA036522 59% 0.574 PF02852 C3_S1152 - (125)2 7 / - / - 1
52SA236520 32% 0.511 PF00106 C1_S144 - (30)3 7 / - / - 2
53SA000567 99% 0.532 PF01751 C2_S165 - (0)20 6 / 30 / 18 22
54SA071939 97% 0.634 PF07992 C2_S1113 - (100)13 6 / 12 / 8 4
55SA120465 64% 0.602 PF00291 C3_S196 - (90)15 6 / 10 / 36 9
56SA139619 56% 0.575 PF01926 C1_S142 - (0)4 6 / 5 / 1 2
57SA022527 37% 0.552 PF02771 C2_S155 - (37)3 6 / 3 / - 2
58SA165222 69% 0.550 PF01208 C3_S113 - (9)6 6 / 2 / - 2
59SA085528 64% 0.571 PF00579 C5_S131 - (23)11 6 / 1 / 6 3
60SA033220 43% 0.405 PF04261 C6_S136 - (0)6 6 / 1 / - 2
61SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
62SA155231 100% 0.526 PF04650 C4_S147 - (0)10 6 / - / 9 4
63SA114217 57% 0.483 PF01266 C4_S138 - (23)3 6 / - / 1 1
64SA00297 47% 0.566 PF01076 C4_S126 - (0)2 6 / - / 1 0
65SA158513 39% 0.541 PF01261 C4_S116 - (0)4 6 / - / - 2
66SA233748 48% 0.457 PF07670 C9_S165 - (0)11 5 / 28 / 10 7
67SA127225 45% 0.581 PF05222 C1_S130 - (26)9 5 / 6 / 5 2
68SA079122 43% 0.617 PF02826 C1_S142 - (34)7 5 / 4 / 3 2
69SA078120 39% 0.468 PF01070 C7_S165 - (53)2 5 / 3 / 2 1
70SA102218 48% 0.576 PF01795 C3_S110 - (6)1 5 / 3 / - 0
71SA072728 100% 0.545 PF00044 C4_S115 - (9)2 5 / 3 / - 1
72SA022428 44% 0.456 PF02737 C1_S139 - (36)7 5 / 2 / 1 2
73SA094019 67% 0.538 PF07521 C1_S117 - (0)4 5 / 1 / 3 3
74SA105420 41% 0.528 PF02441 C3_S121 - (16)6 5 / - / 7 3
75SA211920 61% 0.551 PF00106 C2_S168 - (49)4 5 / - / 2 1
76SA165020 47% 0.565 PF01593 C2_S151 - (27)4 5 / - / 2 1
77SA239313 100% 0.622 PF08546 C2_S138 - (23)4 5 / - / - 2
78SA157616 62% 0.503 PF02910 C4_S128 - (20)2 5 / - / - 1
79SA212214 72% 0.639 PF01175 C7_S120 - (18)2 5 / - / - 1
80SA250131 48% 0.513 PF01926 C2_S138 - (0)6 4 / 21 / 1 3
81SA107850 53% 0.641 PF02978 C6_S163 - (0)14 4 / 15 / 12 3
82SA105239 99% 0.560 PF00625 C2_S151 - (37)14 4 / 13 / 12 5
83SA142235 99% 0.644 PF01467 C3_S167 - (37)17 4 / 11 / 12 4
84SA124622 38% 0.500 PF00512 C3_S135 - (32)6 4 / 9 / - 3
85SA014720 36% 0.540 PF02719 C1_S177 - (68)12 4 / 6 / 5 5
86SA071320 79% 0.517 PF00271 C3_S118 - (0)3 4 / 3 / 1 0
87SA130535 100% 0.652 PF00216 C9_S159 - (0)2 4 / 2 / 12 0
88SA242318 99% 0.484 PF04650 C6_S112 - (0)? 4 / 1 / - 0
89SA130620 43% 0.553 PF01210 C2_S119 - (14)5 4 / - / 2 3
90SA191320 61% 0.599 PF00534 C2_S127 - (17)4 4 / - / 1 1
91SA239026 63% 0.642 PF02261 C4_S145 - (8)2 4 / - / 1 1
92SA015919 58% 0.551 PF00534 C4_S127 - (17)4 4 / - / 1 1
93SA111820 44% 0.586 PF07521 C1_S126 - (0)3 4 / - / 1 2
94SA110916 49% 0.564 PF00575 C6_S14 - (0)2 4 / - / - 0
95SA011320 99% 0.545 PF02423 C2_S141 - (24)5 4 / - / - 3
96SA086119 52% 0.576 PF01152 C4_S177 - (0)2 4 / - / - 1
97SA109414 54% 0.582 PF01494 C6_S115 - (13)2 4 / - / - 1
98SA239542 59% 0.686 PF00056 C5_S142 - (32)6 3 / 24 / 2 3
99SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
100SA234931 98% 0.543 PF00494 C6_S148 - (7)20 3 / 18 / 8 17

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