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]
200SA020519 47% 0.544 PF01551 C4_S14 - (0)2 - / - / 2 1
201SA020646 51% 0.526 PF00005 C2_S132 - (0)10 - / 11 / 15 5
202SA020721 99% 0.575 PF00104 C1_S142 - (0)5 - / - / 7 3
203SA020814 45% 0.316 PF14785 1 - (0)? - / - / - 0
204SA020920 38% 0.324 PF00528 1 - (0)? - / - / - 0
205SA021022 37% 0.397 PF01408 C1_S133 - (30)2 - / - / 1 0
206SA021120 34% 0.514 PF02894 33 - (12)? - / - / - 0
207SA021219 26% 0.358 PF01261 12 - (0)? - / - / - 0
208SA02131 30% 0.239 PF02038 2 - (0)? - / - / - 0
209SA021413 33% 0.299 PF07690 1 - (0)? - / - / - 0
210SA02152 37% 0.545 PF00072 5 - (0)? - / - / - 0
211SA021616 22% 0.241 PF02518 14 - (12)? - / - / - 0
212SA02178 24% 0.421 PF01547 28 - (0)? - / - / - 0
213SA021819 67% 0.525 PF02901 3 - (0)2 - / - / - 0
214SA021914 47% 0.540 PF04055 C2_S121 - (3)? - / - / 1 0
215SA022014 41% 0.514 PF03009 C4_S120 - (14)4 - / - / 3 2
216SA02217 100% 0.800 PF11546 0 - (0)? - / - / - 0
217SA02228 58% 0.485 PF00018 2 - (0)0 - / - / - 0
218SA022322 55% 0.439 PF00108 C3_S118 - (7)3 - / 1 / 2 1
219SA022428 44% 0.456 PF02737 C1_S139 - (36)7 5 / 2 / 1 2
220SA022527 37% 0.552 PF02771 C2_S155 - (37)3 6 / 3 / - 2
221SA022620 30% 0.558 PF13193 C2_S150 - (20)3 1 / 1 / 1 3
222SA022712 35% 0.529 PF01144 6 - (0)? - / - / - 0
223SA02282 50% 0.358 PF11544 3 - (0)? - / - / - 0
224SA022920 99% 0.414 PF00496 C3_S152 - (0)3 - / - / 5 1
225SA02300 54% 0.349 PF00202 1 - (0)? - / - / - 0
226SA0230_10 53% 0.235 PF02939 2 - (0)? - / - / - 0
227SA023135 51% 0.528 PF00175 C1_S1121 - (36)8 16 / 3 / 9 1
228SA023237 99% 0.673 PF00056 C5_S136 - (26)4 9 / 13 / 1 2
229SA02335 43% 0.169 PF02378 0 - (0)? - / - / - 0
230SA023427 45% 0.561 PF01156 C4_S159 - (30)9 - / - / 19 4
231SA023511 28% 0.450 PF02302 3 - (0)? - / - / - 0
232SA023617 37% 0.437 PF02302 0 - (0)? - / - / - 0
233SA023718 57% 0.454 PF02302 6 - (0)? - / - / - 0
234SA02381 50% 0.217 PF01063 20 - (10)? - / - / - 0
235SA023920 33% 0.516 PF00107 C1_S130 - (18)3 1 / 1 / 1 1
236SA0239_10 21% 0.178 PF01568 0 - (0)? - / - / - 0
237SA024023 36% 0.423 PF00107 C1_S133 - (19)4 - / - / 2 0
238SA024120 62% 0.507 PF01128 C1_S131 - (24)8 - / 3 / 4 4
239SA024219 29% 0.466 PF00107 33 - (22)? - / - / - 0
240SA024315 26% 0.435 PF00534 12 - (6)? - / - / - 0
241SA024420 50% 0.508 PF00534 14 - (8)? - / - / - 0
242SA024520 62% 0.494 PF01128 C1_S135 - (28)9 - / 3 / 5 4
243SA024616 27% 0.467 PF00107 31 - (16)? - / - / - 0
244SA024716 31% 0.498 PF00534 11 - (6)? - / - / - 0
245SA02487 32% 0.248 PF00535 39 - (22)? - / - / - 0
246SA02496 34% 0.432 PF00268 2 - (1)? - / - / - 0
247SA025015 33% 0.509 PF00183 13 - (11)? - / - / - 0
248SA02518 38% 0.630 PF00072 5 - (0)? - / - / - 0
249SA02520 42% 0.188 PF01712 4 - (0)? - / - / - 0
250SA02530 29% 0.125 PF02529 2 - (0)? - / - / - 0

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