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

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