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]
200SA172033 100% 0.523 PF03119 C6_S149 - (30)20 - / 18 / 13 14
201SA091830 57% 0.475 PF01259 C4_S152 - (39)12 - / 18 / 9 6
202SA249241 41% 0.530 PF00005 C1_S131 - (0)10 - / 18 / 8 5
203SA167440 62% 0.637 PF08402 C1_S135 - (0)14 - / 17 / 15 7
204SA013748 40% 0.548 PF08402 C1_S146 - (0)11 - / 16 / 19 6
205SA112833 67% 0.521 PF00154 C2_S141 - (0)11 - / 16 / 8 5
206SA067744 46% 0.621 PF08402 C1_S128 - (0)12 - / 16 / 8 5
207SA185421 41% 0.515 PF00814 C5_S123 - (21)10 - / 16 / - 5
208SA051279 50% 0.578 PF01063 C7_S1179 - (142)20 - / 15 / 70 10
209SA020422 53% 0.584 PF02525 C2_S168 - (43)8 - / 15 / 2 2
210SA171192 45% 0.422 PF11798 C3_S1336 - (292)20 - / 14 / 85 17
211SA037544 73% 0.541 PF00478 C2_S164 - (45)19 - / 14 / 23 6
212SA172833 59% 0.531 PF02540 C7_S161 - (54)11 - / 14 / 13 5
213SA053723 100% 0.563 PF08543 C2_S155 - (44)8 - / 14 / 3 2
214SA029746 38% 0.601 PF00005 C1_S141 - (0)12 - / 13 / 15 5
215SA054829 99% 0.442 PF00288 C1_S151 - (27)14 - / 13 / 4 3
216SA128725 46% 0.543 PF01336 C4_S131 - (23)10 - / 13 / - 5
217SA048314 75% 0.536 PF10431 C2_S117 - (0)6 - / 13 / - 3
218SA223746 43% 0.540 PF08402 C2_S146 - (0)15 - / 12 / 12 6
219SA225140 35% 0.597 PF00005 C1_S131 - (0)12 - / 12 / 12 5
220SA000934 52% 0.404 PF00587 C4_S126 - (26)9 - / 12 / 10 5
221SA134840 39% 0.505 PF00676 C5_S133 - (24)8 - / 12 / 9 6
222SA020646 51% 0.526 PF00005 C2_S132 - (0)10 - / 11 / 15 5
223SA113726 40% 0.473 PF00488 C5_S170 - (0)2 - / 11 / 11 0
224SA104723 54% 0.659 PF00215 C1_S142 - (28)12 - / 11 / 5 3
225SA167222 66% 0.516 PF00588 C7_S132 - (0)6 - / 11 / 2 0
226SA064025 35% 0.338 PF00005 C1_S116 - (14)6 - / 11 / 1 3
227SA218625 38% 0.553 PF00590 C2_S127 - (25)3 - / 11 / 1 1
228SA233620 54% 0.512 PF10431 C2_S117 - (0)6 - / 11 / - 3
229SA047171 69% 0.584 PF00291 C3_S182 - (56)19 - / 10 / 56 8
230SA243090 94% 0.749 PF02868 C7_S1198 - (0)20 - / 10 / 53 42
231SA146563 52% 0.553 PF01702 C5_S157 - (26)20 - / 10 / 31 23
232SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
233SA207825 64% 0.510 PF01156 C1_S136 - (14)17 - / 10 / 14 9
234SA189420 42% 0.658 PF02581 C2_S146 - (37)15 - / 10 / 13 5
235SA146720 55% 0.508 PF05496 C2_S126 - (0)7 - / 10 / 5 3
236SA108922 65% 0.650 PF00549 C2_S124 - (14)2 - / 10 / - 1
237SA017956 53% 0.550 PF00202 C1_S172 - (53)14 - / 9 / 34 6
238SA186347 54% 0.529 PF00180 C5_S154 - (47)15 - / 9 / 22 3
239SA220041 57% 0.626 PF08402 C1_S142 - (0)12 - / 9 / 22 5
240SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
241SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
242SA189629 45% 0.517 PF08543 C1_S157 - (39)9 - / 9 / 6 2
243SA032222 100% 0.537 PF01047 C2_S131 - (0)? - / 9 / 3 0
244SA079321 46% 0.558 PF13193 C4_S164 - (32)8 - / 9 / 3 3
245SA242740 64% 0.616 PF02729 C8_S146 - (36)12 - / 8 / 17 5
246SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
247SA095044 46% 0.580 PF08402 C2_S129 - (0)12 - / 8 / 16 7
248SA114533 100% 0.702 PF01423 C5_S1107 - (0)4 - / 8 / 16 2
249SA101337 49% 0.608 PF00696 C2_S147 - (20)8 - / 8 / 14 2
250SA242536 54% 0.601 PF00696 C5_S146 - (20)9 - / 8 / 14 2

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