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]
150SA172833 59% 0.531 PF02540 C7_S161 - (54)11 - / 14 / 13 5
151SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
152SA013748 40% 0.548 PF08402 C1_S146 - (0)11 - / 16 / 19 6
153SA011253 37% 0.445 PF00291 C2_S175 - (50)11 - / 4 / 40 4
154SA233748 48% 0.457 PF07670 C9_S165 - (0)11 5 / 28 / 10 7
155SA188757 100% 0.619 PF01820 C1_S181 - (57)11 - / 18 / 22 3
156SA050828 42% 0.573 PF00155 C1_S129 - (21)10 - / - / 13 5
157SA084731 40% 0.482 PF00005 C1_S129 - (0)10 - / 3 / 14 5
158SA099747 51% 0.653 PF01177 C1_S152 - (35)10 - / 1 / 37 4
159SA020646 51% 0.526 PF00005 C2_S132 - (0)10 - / 11 / 15 5
160SA196520 67% 0.596 PF00408 C1_S117 - (16)10 - / - / 9 7
161SA249241 41% 0.530 PF00005 C1_S131 - (0)10 - / 18 / 8 5
162SA128725 46% 0.543 PF01336 C4_S131 - (23)10 - / 13 / - 5
163SA145934 45% 0.513 PF02580 C9_S119 - (0)10 - / 1 / 7 1
164SA102949 100% 0.668 PF00091 C6_S158 - (0)10 1 / 31 / 12 5
165SA155420 36% 0.515 PF13193 C3_S162 - (23)10 - / 4 / 6 5
166SA195931 98% ? PF01380 C2_S114 - (13)10 - / - / 11 5
167SA016638 37% 0.511 PF08402 C1_S121 - (0)10 - / 8 / 10 5
168SA159922 34% 0.585 PF00923 C6_S127 - (1)10 - / - / 20 4
169SA045320 34% 0.451 PF00288 C1_S156 - (43)10 - / 3 / 7 4
170SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
171SA200323 39% 0.421 PF08124 C1_S129 - (0)10 - / 2 / 13 3
172SA185421 41% 0.515 PF00814 C5_S123 - (21)10 - / 16 / - 5
173SA221755 48% 0.368 PF00005 C2_S159 - (59)10 - / 30 / 6 6
174SA155231 100% 0.526 PF04650 C4_S147 - (0)10 6 / - / 9 4
175SA047320 99% 0.529 PF02152 C5_S130 - (14)10 - / - / 11 10
176SA121835 36% 0.482 PF00005 C1_S128 - (0)10 - / 7 / 16 5
177SAP02231 38% 0.589 PF00005 C1_S122 - (0)10 - / - / 19 5
178SA169735 45% 0.445 PF01451 C7_S122 - (2)10 - / - / 16 6
179SA138539 38% 0.650 PF00005 C1_S148 - (0)10 - / 6 / 15 4
180SA088836 38% 0.460 PF00005 C1_S145 - (0)10 - / 1 / 23 5
181SA034631 47% 0.630 PF01053 C1_S121 - (16)10 - / 2 / 11 4
182SA153126 61% 0.591 PF05222 C3_S178 - (67)9 11 / - / 6 2
183SA246920 27% 0.497 PF00155 C1_S131 - (22)9 - / 2 / 6 4
184SA077620 49% 0.592 PF00266 C1_S151 - (37)9 - / - / 13 2
185SA023427 45% 0.561 PF01156 C4_S159 - (30)9 - / - / 19 4
186SA127225 45% 0.581 PF05222 C1_S130 - (26)9 5 / 6 / 5 2
187SA091725 97% 0.565 PF02222 C1_S148 - (36)9 - / 6 / 13 5
188SA242536 54% 0.601 PF00696 C5_S146 - (20)9 - / 8 / 14 2
189SA090226 36% 0.565 PF00155 C1_S143 - (32)9 - / 1 / 19 3
190SA119921 32% 0.386 PF00425 C1_S115 - (0)9 - / - / 8 2
191SA118421 52% ? PF00694 C2_S127 - (11)9 - / 1 / 6 4
192SA000934 52% 0.404 PF00587 C4_S126 - (26)9 - / 12 / 10 5
193SA083127 99% 0.484 PF02852 C1_S199 - (94)9 14 / 3 / 6 4
194SA168525 45% 0.477 PF14815 C2_S148 - (0)9 13 / - / 6 2
195SA237540 37% 0.553 PF01180 C2_S1145 - (86)9 40 / 2 / 4 4
196SA083726 33% 0.480 PF00682 C1_S125 - (16)9 - / - / 7 1
197SA227818 42% 0.607 PF00293 C2_S119 - (0)9 - / - / 7 3
198SA189629 45% 0.517 PF08543 C1_S157 - (39)9 - / 9 / 6 2
199SA114421 74% 0.574 PF01715 C3_S143 - (20)9 - / - / 7 4
200SA024520 62% 0.494 PF01128 C1_S135 - (28)9 - / 3 / 5 4

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