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]
150SA145934 45% 0.513 PF02580 C9_S119 - (0)10 - / 1 / 7 1
151SA017634 38% 0.558 PF00696 C1_S155 - (43)12 - / 3 / 15 5
152SA000934 52% 0.404 PF00587 C4_S126 - (26)9 - / 12 / 10 5
153SA172033 100% 0.523 PF03119 C6_S149 - (30)20 - / 18 / 13 14
154SA234633 38% 0.555 PF02826 C2_S153 - (37)11 2 / 9 / 9 4
155SA114533 100% 0.702 PF01423 C5_S1107 - (0)4 - / 8 / 16 2
156SA172833 59% 0.531 PF02540 C7_S161 - (54)11 - / 14 / 13 5
157SA112833 67% 0.521 PF00154 C2_S141 - (0)11 - / 16 / 8 5
158SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
159SA193932 54% 0.616 PF01791 C2_S143 - (19)6 - / - / 12 2
160SA234232 97% 0.577 PF00132 C2_S188 - (49)5 - / - / 18 2
161SA086932 100% 0.614 PF00106 C3_S148 - (30)6 15 / 1 / - 4
162SA217232 37% 0.412 -C15_S123 - (0)4 - / - / 14 2
163SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
164SA130932 100% 0.575 PF02224 C1_S134 - (31)12 1 / 13 / 10 6
165SA061632 39% 0.479 PF08402 C1_S120 - (0)8 - / 5 / 9 3
166SA050132 54% 0.431 PF04998 61 - (0)0 - / - / - 0
167SA250131 48% 0.513 PF01926 C2_S138 - (0)6 4 / 21 / 1 3
168SA034631 47% 0.630 PF01053 C1_S121 - (16)10 - / 2 / 11 4
169SA084731 40% 0.482 PF00005 C1_S129 - (0)10 - / 3 / 14 5
170SA158631 68% 0.619 PF00885 C4_S137 - (29)2 - / 1 / 10 3
171SAP02231 38% 0.589 PF00005 C1_S122 - (0)10 - / - / 19 5
172SA234931 98% 0.543 PF00494 C6_S148 - (7)20 3 / 18 / 8 17
173SA195931 98% ? PF01380 C2_S114 - (13)10 - / - / 11 5
174SA154931 40% 0.463 PF13180 C4_S122 - (0)2 - / - / 15 1
175SA013331 54% 0.612 PF01791 C2_S138 - (16)6 - / - / 12 2
176SA155231 100% 0.526 PF04650 C4_S147 - (0)10 6 / - / 9 4
177SA129031 37% 0.429 PF01743 C3_S119 - (15)7 - / - / 16 3
178SA076930 45% 0.501 PF00005 C1_S140 - (0)5 - / 7 / 6 2
179SA111430 40% 0.488 PF01509 C4_S140 - (0)3 9 / 3 / 8 0
180SA046030 43% 0.592 PF01195 C3_S119 - (0)12 - / 1 / 8 4
181SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
182SA047730 80% 0.607 PF01680 C4_S118 - (2)6 - / - / 2 1
183SA135130 60% 0.638 PF02863 C8_S1173 - (0)6 - / - / 17 1
184SA064630 36% 0.501 PF03441 C3_S150 - (39)5 13 / 2 / - 1
185SA091830 57% 0.475 PF01259 C4_S152 - (39)12 - / 18 / 9 6
186SA154530 45% 0.585 PF02826 C2_S164 - (50)11 10 / 3 / 4 2
187SA098529 93% 0.454 PF01409 C3_S120 - (13)11 2 / 6 / 6 9
188SA047529 73% 0.482 PF01336 C5_S140 - (28)12 - / 7 / 5 5
189SA084829 35% 0.415 PF08402 C1_S122 - (0)8 - / - / 8 4
190SA189629 45% 0.517 PF08543 C1_S157 - (39)9 - / 9 / 6 2
191SA017129 47% 0.604 PF02826 C2_S158 - (51)7 7 / 2 / 2 2
192SA242029 39% 0.449 PF00245 C7_S118 - (5)11 - / - / 5 1
193SA020229 46% 0.528 PF01019 19 - (0)6 - / - / - 0
194SA209829 46% 0.601 PF02826 C1_S175 - (58)14 1 / 10 / 4 4
195SA093929 57% 0.621 PF02254 C3_S146 - (46)0 - / 5 / 8 0
196SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
197SA128929 100% 0.558 PF03099 C2_S135 - (11)13 9 / 7 / 4 7
198SA153329 57% 0.610 PF00871 C4_S156 - (46)20 2 / 10 / 12 12
199SA054829 99% 0.442 PF00288 C1_S151 - (27)14 - / 13 / 4 3
200SA232729 34% 0.575 PF02776 C7_S190 - (61)13 - / 21 / - 6

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