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]
150SA108039 54% 0.540 PF02978 C4_S161 - (0)13 3 / 13 / 15 4
151SA014920 100% 0.558 PF01370 60 - (52)? - / - / - 0
152SA069320 100% 0.796 PF02873 C1_S160 - (44)2 7 / - / 1 1
153SA045750 52% 0.579 PF12804 C1_S160 - (42)18 - / 19 / 22 12
154SA056228 69% 0.548 PF00107 C1_S160 - (36)7 - / - / 6 0
155SA18559 38% 0.513 PF00583 60 - (28)1 - / - / - 0
156SA226023 38% 0.446 PF00106 C1_S159 - (49)2 3 / - / - 1
157SA059965 52% 0.407 PF00005 C2_S159 - (59)12 - / 38 / 10 7
158SA036719 42% 0.551 PF00881 C2_S159 - (0)3 - / 5 / 1 1
159SA114140 99% 0.510 PF00370 C4_S159 - (59)14 - / 1 / 19 4
160SA072321 100% 0.606 PF00574 59 - (0)1 - / - / - 0
161SA177514 33% 0.559 PF00574 59 - (0)? - / - / - 0
162SA072957 100% 0.647 PF00121 C8_S159 - (46)19 - / - / 38 7
163SA221755 48% 0.368 PF00005 C2_S159 - (59)10 - / 30 / 6 6
164SA130244 43% 0.521 PF00348 C1_S159 - (43)17 - / 1 / 28 8
165SA089320 100% 0.584 PF00583 59 - (36)? - / - / - 0
166SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
167SA129837 91% 0.617 PF01202 C3_S159 - (54)6 8 / 10 / 12 2
168SA130535 100% 0.652 PF00216 C9_S159 - (0)2 4 / 2 / 12 0
169SA023427 45% 0.561 PF01156 C4_S159 - (30)9 - / - / 19 4
170SA017129 47% 0.604 PF02826 C2_S158 - (51)7 7 / 2 / 2 2
171SA102949 100% 0.668 PF00091 C6_S158 - (0)10 1 / 31 / 12 5
172SA210219 35% 0.452 PF01568 58 - (0)? - / - / - 0
173SA117246 79% 0.538 PF00478 C2_S158 - (41)19 - / 7 / 24 3
174SA033020 32% 0.520 PF13302 57 - (0)1 - / - / - 0
175SA189629 45% 0.517 PF08543 C1_S157 - (39)9 - / 9 / 6 2
176SA215514 35% 0.333 PF01266 57 - (41)? - / - / - 0
177SA146563 52% 0.553 PF01702 C5_S157 - (26)20 - / 10 / 31 23
178SA096363 100% 0.538 PF02786 C2_S157 - (24)20 2 / 19 / 21 18
179SA19318 36% 0.539 PF00583 57 - (31)? - / - / - 0
180SA148819 46% 0.524 PF10458 56 - (7)1 - / - / - 0
181SA104352 57% 0.558 PF02729 C6_S156 - (42)20 - / 19 / 13 7
182SA001813 53% 0.614 PF02518 C5_S156 - (45)8 3 / 11 / - 4
183SA059715 100% 0.581 PF01467 C2_S156 - (39)4 - / 8 / 1 2
184SA153329 57% 0.610 PF00871 C4_S156 - (46)20 2 / 10 / 12 12
185SA045320 34% 0.451 PF00288 C1_S156 - (43)10 - / 3 / 7 4
186SA151742 79% 0.621 PF00180 C6_S156 - (52)16 2 / 13 / 23 5
187SA022527 37% 0.552 PF02771 C2_S155 - (37)3 6 / 3 / - 2
188SA017634 38% 0.558 PF00696 C1_S155 - (43)12 - / 3 / 15 5
189SA144812 40% 0.547 PF00515 55 - (0)? - / - / - 0
190SA151045 64% 0.584 PF00044 C1_S155 - (25)6 7 / 15 / 7 2
191SA141912 45% 0.428 PF07109 55 - (34)? - / - / - 0
192SA053723 100% 0.563 PF08543 C2_S155 - (44)8 - / 14 / 3 2
193SA131113 25% 0.352 PF02852 55 - (48)? - / - / - 0
194SA184620 32% 0.472 PF00251 C3_S154 - (25)7 - / - / 4 2
195SA186347 54% 0.529 PF00180 C5_S154 - (47)15 - / 9 / 22 3
196SA245417 47% 0.579 PF00583 54 - (33)0 - / - / - 0
197SA100720 100% 0.596 PF07968 54 - (0)1 - / - / - 0
198SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
199SA220921 100% 0.385 PF07968 54 - (0)1 - / - / - 0
200SA21877 41% 0.519 PF00355 C2_S154 - (0)1 - / - / 1 0

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