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]
200SA000642 99% 0.545 PF00521 C7_S180 - (0)9 - / 1 / 28 0
201SA090226 36% 0.565 PF00155 C1_S143 - (32)9 - / 1 / 19 3
202SA024520 62% 0.494 PF01128 C1_S135 - (28)9 - / 3 / 5 4
203SA025824 99% 0.575 PF00294 C1_S163 - (52)9 - / 5 / 16 4
204SA134840 39% 0.505 PF00676 C5_S133 - (24)8 - / 12 / 9 6
205SA081851 70% 0.573 PF00202 C1_S174 - (54)8 - / 6 / 31 3
206SA186220 62% 0.567 PF00682 C3_S122 - (13)8 - / - / 5 2
207SA148720 34% 0.554 PF08245 C1_S124 - (14)8 - / 2 / 5 5
208SA095938 54% 0.485 PF03143 C3_S141 - (0)8 - / 21 / 12 4
209SA024120 62% 0.507 PF01128 C1_S131 - (24)8 - / 3 / 4 4
210SA023135 51% 0.528 PF00175 C1_S1121 - (36)8 16 / 3 / 9 1
211SA158737 51% 0.547 PF00926 C7_S124 - (0)8 - / - / 20 3
212SA053723 100% 0.563 PF08543 C2_S155 - (44)8 - / 14 / 3 2
213SA186120 63% 0.419 PF07991 C4_S127 - (18)8 3 / 2 / 5 4
214SA153824 39% 0.548 PF00266 C1_S152 - (39)8 - / - / 18 1
215SA095822 99% 0.633 PF00459 C4_S132 - (12)8 - / - / 1 1
216SA226624 38% 0.577 PF00106 C1_S185 - (59)8 7 / 2 / 4 2
217SA101337 49% 0.608 PF00696 C2_S147 - (20)8 - / 8 / 14 2
218SA085251 38% 0.479 PF00005 C1_S147 - (0)8 - / 2 / 31 5
219SA082220 49% 0.437 PF00764 C5_S119 - (16)8 - / - / 7 3
220SA223520 100% 0.529 PF04069 C3_S130 - (0)8 - / - / 1 1
221SA079321 46% 0.558 PF13193 C4_S164 - (32)8 - / 9 / 3 3
222SA186420 35% 0.470 PF00694 C3_S133 - (13)8 - / - / 2 2
223SA123224 42% 0.574 PF00278 C2_S136 - (32)8 - / 2 / 8 1
224SA002220 32% 0.444 PF00149 C2_S122 - (9)8 - / 4 / 3 4
225SA107325 99% 0.613 PF00698 C1_S115 - (11)8 - / - / 6 2
226SA060528 49% 0.546 PF02733 C6_S146 - (27)8 - / - / 8 1
227SA029518 49% 0.575 PF03767 C3_S118 - (1)8 - / - / 7 5
228SA234426 50% 0.442 PF00702 C1_S117 - (0)8 - / 5 / 5 4
229SA063942 35% 0.365 PF00005 C2_S174 - (74)8 - / 26 / 7 5
230SA199520 99% 0.543 PF00294 C2_S141 - (32)8 - / 5 / 4 3
231SA172918 59% 0.516 PF02057 C2_S140 - (5)8 - / - / 5 3
232SA048220 30% 0.416 PF02807 C7_S126 - (22)8 - / - / 5 0
233SA001813 53% 0.614 PF02518 C5_S156 - (45)8 3 / 11 / - 4
234SA020422 53% 0.584 PF02525 C2_S168 - (43)8 - / 15 / 2 2
235SA019826 40% 0.514 PF09383 C3_S114 - (0)8 - / - / 8 5
236SA197423 36% 0.481 PF01704 C5_S142 - (32)8 2 / 12 / 3 3
237SA154420 31% 0.528 PF00266 C1_S138 - (30)8 - / - / 4 1
238SA061632 39% 0.479 PF08402 C1_S120 - (0)8 - / 5 / 9 3
239SA118949 100% 0.484 PF00521 C3_S192 - (0)8 - / 3 / 37 0
240SA034421 58% 0.526 PF01717 C2_S114 - (9)8 1 / - / 7 3
241SA084829 35% 0.415 PF08402 C1_S122 - (0)8 - / - / 8 4
242SA137723 40% 0.531 PF00480 C1_S132 - (24)8 - / - / 6 4
243SA139120 99% 0.552 PF01807 C2_S114 - (0)8 - / 5 / 4 6
244SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
245SA138727 48% 0.593 PF00271 C4_S140 - (0)7 - / 1 / 6 1
246SA184620 32% 0.472 PF00251 C3_S154 - (25)7 - / - / 4 2
247SA110128 59% 0.614 PF00696 C1_S128 - (18)7 - / 3 / 4 3
248SA145022 43% 0.541 PF00266 C1_S147 - (34)7 - / - / 19 2
249SA092116 44% 0.492 PF02769 C2_S124 - (16)7 - / - / 7 3
250SA151824 45% 0.639 PF00285 C8_S115 - (11)7 - / 6 / 6 3

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