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]
100SA010719 100% 0.831 PF04650 1 - (0)? - / - / - 0
101SA010811 100% 0.878 PF01047 3 - (0)? - / - / - 0
102SA01097 28% 0.355 PF01032 0 - (0)? - / - / - 0
103SA01109 34% 0.413 PF01032 2 - (0)? - / - / - 0
104SA011120 100% 0.606 PF01497 C1_S139 - (0)1 - / 1 / 1 1
105SA011253 37% 0.445 PF00291 C2_S175 - (50)11 - / 4 / 40 4
106SA011320 99% 0.545 PF02423 C2_S141 - (24)5 4 / - / - 3
107SA01148 42% 0.380 PF00195 16 - (0)? - / - / - 0
108SA011510 43% 0.322 PF01306 4 - (0)? - / - / - 0
109SA011615 32% 0.391 PF14860 C3_S112 - (0)4 1 / 1 / 2 3
110SA011712 36% 0.458 PF00283 18 - (0)? - / - / - 0
111SA011820 99% 0.639 PF03328 C7_S113 - (10)4 - / - / 3 1
112SA011919 32% 0.505 PF00278 C1_S131 - (27)3 - / - / 3 1
113SA01205 36% 0.284 PF00362 4 - (0)? - / - / - 0
114SA01210 29% 0.264 PF01477 5 - (0)? - / - / - 0
115SA012223 58% 0.634 PF00106 C1_S177 - (59)6 2 / 1 / 1 1
116SA0122_10 48% 0.245 PF01751 7 - (0)? - / - / - 0
117SA012323 38% 0.506 PF01370 C1_S1102 - (84)5 13 / - / 2 1
118SA01240 44% 0.167 PF02788 1 - (0)? - / - / - 0
119SA012515 36% 0.498 PF00534 32 - (17)? - / - / - 0
120SA01260 30% 0.206 PF00092 0 - (0)? - / - / - 0
121SA01272 38% 0.259 PF05366 3 - (0)? - / - / - 0
122SA012824 63% 0.582 PF00081 C8_S14 - (1)3 - / - / 3 1
123SA01290 36% 0.183 PF00793 1 - (0)? - / - / - 0
124SA01301 45% 0.411 PF00392 22 - (0)1 - / - / - 0
125SA013148 55% 0.495 PF01048 C2_S149 - (24)20 - / - / 34 12
126SA013212 32% 0.282 PF07690 3 - (0)? - / - / - 0
127SA013331 54% 0.612 PF01791 C2_S138 - (16)6 - / - / 12 2
128SA013425 65% 0.631 PF01676 C5_S116 - (3)7 - / - / 8 3
129SA01356 27% 0.548 PF00528 8 - (0)? - / - / - 0
130SA01366 40% 0.319 PF00528 8 - (0)? - / - / - 0
131SA013748 40% 0.548 PF08402 C1_S146 - (0)11 - / 16 / 19 6
132SA013813 24% 0.388 PF06646 20 - (0)? - / - / - 0
133SA01393 32% 0.749 PF01174 1 - (0)? - / - / - 0
134SA014012 95% 0.554 PF00149 C2_S121 - (8)4 - / 1 / - 1
135SA01410 39% 0.153 PF13186 4 - (0)? - / - / - 0
136SA014218 35% 0.328 PF08671 8 - (0)? - / - / - 0
137SA014315 35% 0.524 PF00465 C2_S120 - (18)6 1 / 7 / - 3
138SA01440 100% 0.377 PF00575 4 - (0)? - / - / - 0
139SA014513 57% 0.577 PF02706 C1_S148 - (44)2 - / 2 / 2 1
140SA014619 38% 0.580 PF02811 5 - (0)? - / - / - 0
141SA014720 36% 0.540 PF02719 C1_S177 - (68)12 4 / 6 / 5 5
142SA014820 100% 0.484 PF02719 C1_S161 - (58)7 16 / 1 / 2 2
143SA014920 100% 0.558 PF01370 60 - (52)? - / - / - 0
144SA015019 50% 0.454 PF02350 C2_S125 - (13)2 - / 1 / 1 2
145SA015120 50% 0.475 PF00132 87 - (39)? - / - / - 0
146SA015220 18% 0.458 PF00534 14 - (9)? - / - / - 0
147SA01530 34% 0.086 PF00001 6 - (0)? - / - / - 0
148SA01542 21% 0.299 PF12109 3 - (0)? - / - / - 0
149SA015518 23% 0.471 PF00534 17 - (11)? - / - / - 0
150SA01560 56% 0.276 PF09700 1 - (0)? - / - / - 0

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