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]
200SA222410 32% 0.414 PF00112 7 - (0)? - / - / - 0
201SA13120 35% 0.075 PF00114 4 - (0)? - / - / - 0
202SA13701 27% 0.119 PF00114 5 - (0)? - / - / - 0
203SA05830 38% 0.002 PF00114 12 - (0)? - / - / - 0
204SA13693 32% 0.485 PF00114 1 - (0)0 - / - / - 0
205SA13714 24% 0.383 PF00114 1 - (0)0 - / - / - 0
206SA13727 38% 0.509 PF00114 0 - (0)? - / - / - 0
207SA2110_10 45% 0.187 PF00115 1 - (0)? - / - / - 0
208SA091221 50% 0.391 PF00115 C1_S122 - (0)2 2 / - / - 1
209SA03743 40% 0.317 PF00115 15 - (0)? - / - / - 0
210SA17184 38% 0.305 PF00115 10 - (0)? - / - / - 0
211SA216311 30% 0.399 PF00115 24 - (0)? - / - / - 0
212SA092019 40% 0.393 PF00117 5 - (1)? - / - / - 0
213SA246720 42% 0.552 PF00117 4 - (0)? - / - / - 0
214SA120015 38% 0.481 PF00117 2 - (2)? - / - / - 0
215SA066815 71% 0.553 PF00117 5 - (2)? - / - / - 0
216SA104518 44% 0.488 PF00117 2 - (0)? - / - / - 0
217SA192920 53% 0.525 PF00117 C6_S17 - (5)6 - / 1 / 4 3
218SA183620 60% 0.551 PF00118 0 - (0)? - / - / - 0
219SA06262 35% 0.610 PF00121 7 - (3)? - / - / - 0
220SA072957 100% 0.647 PF00121 C8_S159 - (46)19 - / - / 38 7
221SA133865 55% 0.501 PF00128 C1_S1106 - (0)20 - / - / 46 10
222SA043361 54% 0.524 PF00128 C1_S1103 - (0)20 - / - / 45 9
223SA01846 32% 0.402 PF00128 5 - (0)? - / - / - 0
224SA07174 49% 0.442 PF00132 C2_S178 - (49)1 - / - / 1 0
225SA122920 61% 0.636 PF00132 C3_S169 - (48)5 - / - / 4 0
226SA234232 97% 0.577 PF00132 C2_S188 - (49)5 - / - / 18 2
227SA015120 50% 0.475 PF00132 87 - (39)? - / - / - 0
228SA224024 36% 0.476 PF00135 C1_S186 - (6)4 - / - / 4 0
229SA19102 58% 0.127 PF00137 97 - (0)? - / - / - 0
230SA244720 99% 0.593 PF00139 C1_S114 - (0)2 - / - / 2 1
231SAP01070 98% 0.875 PF00144 C1_S193 - (23)20 - / - / 44 17
232SA223020 100% 0.534 PF00144 27 - (1)? - / - / - 0
233SA090917 31% 0.482 PF00144 36 - (0)? - / - / - 0
234SA162410 33% 0.579 PF00147 10 - (0)? - / - / - 0
235SA044720 52% 0.612 PF00148 15 - (14)? - / - / - 0
236SA222519 34% 0.347 PF00149 C1_S14 - (0)1 - / - / 1 0
237SA078410 27% 0.415 PF00149 C2_S126 - (0)2 - / - / 2 0
238SA16625 31% 0.399 PF00149 C1_S19 - (0)1 - / - / 1 1
239SA014012 95% 0.554 PF00149 C2_S121 - (8)4 - / 1 / - 1
240SA118012 37% 0.418 PF00149 C1_S18 - (0)1 - / - / 1 1
241SA002220 32% 0.444 PF00149 C2_S122 - (9)8 - / 4 / 3 4
242SA088118 31% 0.408 PF00149 22 - (7)? - / - / - 0
243SA230411 28% 0.071 PF00149 4 - (0)? - / - / - 0
244SA113020 64% 0.645 PF00149 12 - (2)? - / - / - 0
245SA00710 30% 0.234 PF00149 2 - (2)? - / - / - 0
246SA206717 40% 0.634 PF00154 13 - (11)? - / - / - 0
247SA112833 67% 0.521 PF00154 C2_S141 - (0)11 - / 16 / 8 5
248SA221220 30% 0.472 PF00155 C1_S131 - (22)6 - / - / 7 3
249SA010420 28% 0.526 PF00155 C1_S142 - (22)2 - / - / 2 1
250SA234720 98% 0.635 PF00155 C1_S136 - (26)2 - / - / 2 2

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