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]
150SA046030 43% 0.592 PF01195 C3_S119 - (0)12 - / 1 / 8 4
151SA200144 55% 0.533 PF00248 C6_S1105 - (64)15 18 / 2 / 6 4
152SA114140 99% 0.510 PF00370 C4_S159 - (59)14 - / 1 / 19 4
153SA142458 72% 0.659 PF08501 C4_S175 - (70)13 1 / 19 / 28 4
154SA234633 38% 0.555 PF02826 C2_S153 - (37)11 2 / 9 / 9 4
155SA191569 99% 0.597 PF00464 C1_S1108 - (55)16 - / 2 / 57 4
156SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
157SA072617 46% 0.584 PF04198 C3_S123 - (11)7 - / - / 8 4
158SA214940 41% 0.619 PF08402 C1_S124 - (0)6 - / 3 / 18 4
159SA146127 52% 0.530 PF00156 C2_S151 - (37)7 - / 3 / 12 4
160SA085141 37% 0.472 PF00005 C1_S142 - (0)6 - / - / 21 4
161SA151522 41% 0.400 PF00512 C2_S133 - (30)7 2 / 13 / - 4
162SA142235 99% 0.644 PF01467 C3_S167 - (37)17 4 / 11 / 12 4
163SA240220 37% 0.571 PF13193 C5_S168 - (40)12 - / 3 / 8 4
164SA237540 37% 0.553 PF01180 C2_S1145 - (86)9 40 / 2 / 4 4
165SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
166SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
167SA118421 52% ? PF00694 C2_S127 - (11)9 - / 1 / 6 4
168SA246618 35% 0.542 PF00977 C3_S129 - (0)4 1 / 1 / 2 4
169SA209829 46% 0.601 PF02826 C1_S175 - (58)14 1 / 10 / 4 4
170SA165120 62% 0.575 PF00762 C2_S124 - (4)7 2 / 2 / 2 4
171SA186120 63% 0.419 PF07991 C4_S127 - (18)8 3 / 2 / 5 4
172SA099747 51% 0.653 PF01177 C1_S152 - (35)10 - / 1 / 37 4
173SA159922 34% 0.585 PF00923 C6_S127 - (1)10 - / - / 20 4
174SA024520 62% 0.494 PF01128 C1_S135 - (28)9 - / 3 / 5 4
175SA108039 54% 0.540 PF02978 C4_S161 - (0)13 3 / 13 / 15 4
176SA046942 73% 0.590 PF09336 C2_S127 - (27)6 - / 19 / 6 4
177SA011253 37% 0.445 PF00291 C2_S175 - (50)11 - / 4 / 40 4
178SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
179SA045320 34% 0.451 PF00288 C1_S156 - (43)10 - / 3 / 7 4
180SA083127 99% 0.484 PF02852 C1_S199 - (94)9 14 / 3 / 6 4
181SA033918 30% 0.570 PF00005 C1_S111 - (0)4 - / 3 / 1 4
182SA084829 35% 0.415 PF08402 C1_S122 - (0)8 - / - / 8 4
183SA234426 50% 0.442 PF00702 C1_S117 - (0)8 - / 5 / 5 4
184SA000726 45% 0.671 PF03853 C2_S161 - (46)7 - / 8 / - 4
185SA095938 54% 0.485 PF03143 C3_S141 - (0)8 - / 21 / 12 4
186SA108613 54% 0.508 PF01926 C12_S113 - (0)6 - / 8 / 1 4
187SA137420 36% 0.488 PF00437 C3_S117 - (17)4 - / - / 4 4
188SA155231 100% 0.526 PF04650 C4_S147 - (0)10 6 / - / 9 4
189SA114421 74% 0.574 PF01715 C3_S143 - (20)9 - / - / 7 4
190SA086932 100% 0.614 PF00106 C3_S148 - (30)6 15 / 1 / - 4
191SA188616 39% 0.527 PF08245 C2_S141 - (20)11 1 / 6 / - 4
192SA092620 50% 0.616 PF02844 C1_S134 - (22)5 - / 3 / 6 4
193SA001813 53% 0.614 PF02518 C5_S156 - (45)8 3 / 11 / - 4
194SA246920 27% 0.497 PF00155 C1_S131 - (22)9 - / 2 / 6 4
195SA234145 59% 0.556 PF00171 C4_S165 - (0)19 1 / 20 / 9 4
196SA138539 38% 0.650 PF00005 C1_S148 - (0)10 - / 6 / 15 4
197SA002220 32% 0.444 PF00149 C2_S122 - (9)8 - / 4 / 3 4
198SA024120 62% 0.507 PF01128 C1_S131 - (24)8 - / 3 / 4 4
199SA214723 64% 0.677 PF01047 C1_S131 - (0)14 - / - / 8 4
200SA065899 51% 0.652 PF00248 C7_S1156 - (120)16 66 / 10 / 3 4

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