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]
150SA214940 41% 0.619 PF08402 C1_S124 - (0)6 - / 3 / 18 4
151SA214723 64% 0.677 PF01047 C1_S131 - (0)14 - / - / 8 4
152SA188616 39% 0.527 PF08245 C2_S141 - (20)11 1 / 6 / - 4
153SA065899 51% 0.652 PF00248 C7_S1156 - (120)16 66 / 10 / 3 4
154SA246618 35% 0.542 PF00977 C3_S129 - (0)4 1 / 1 / 2 4
155SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
156SA118421 52% ? PF00694 C2_S127 - (11)9 - / 1 / 6 4
157SA234426 50% 0.442 PF00702 C1_S117 - (0)8 - / 5 / 5 4
158SA237540 37% 0.553 PF01180 C2_S1145 - (86)9 40 / 2 / 4 4
159SA072617 46% 0.584 PF04198 C3_S123 - (11)7 - / - / 8 4
160SA142458 72% 0.659 PF08501 C4_S175 - (70)13 1 / 19 / 28 4
161SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
162SA137723 40% 0.531 PF00480 C1_S132 - (24)8 - / - / 6 4
163SA002220 32% 0.444 PF00149 C2_S122 - (9)8 - / 4 / 3 4
164SA071939 97% 0.634 PF07992 C2_S1113 - (100)13 6 / 12 / 8 4
165SA146127 52% 0.530 PF00156 C2_S151 - (37)7 - / 3 / 12 4
166SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
167SA024520 62% 0.494 PF01128 C1_S135 - (28)9 - / 3 / 5 4
168SA086932 100% 0.614 PF00106 C3_S148 - (30)6 15 / 1 / - 4
169SA034631 47% 0.630 PF01053 C1_S121 - (16)10 - / 2 / 11 4
170SA200144 55% 0.533 PF00248 C6_S1105 - (64)15 18 / 2 / 6 4
171SA083127 99% 0.484 PF02852 C1_S199 - (94)9 14 / 3 / 6 4
172SA099747 51% 0.653 PF01177 C1_S152 - (35)10 - / 1 / 37 4
173SA000726 45% 0.671 PF03853 C2_S161 - (46)7 - / 8 / - 4
174SA023427 45% 0.561 PF01156 C4_S159 - (30)9 - / - / 19 4
175SA045320 34% 0.451 PF00288 C1_S156 - (43)10 - / 3 / 7 4
176SA082320 99% 0.596 PF00342 C4_S111 - (11)4 - / - / 4 4
177SA114140 99% 0.510 PF00370 C4_S159 - (59)14 - / 1 / 19 4
178SA046030 43% 0.592 PF01195 C3_S119 - (0)12 - / 1 / 8 4
179SA165120 62% 0.575 PF00762 C2_S124 - (4)7 2 / 2 / 2 4
180SA138539 38% 0.650 PF00005 C1_S148 - (0)10 - / 6 / 15 4
181SA186120 63% 0.419 PF07991 C4_S127 - (18)8 3 / 2 / 5 4
182SA114421 74% 0.574 PF01715 C3_S143 - (20)9 - / - / 7 4
183SA137420 36% 0.488 PF00437 C3_S117 - (17)4 - / - / 4 4
184SA025824 99% 0.575 PF00294 C1_S163 - (52)9 - / 5 / 16 4
185SA139420 48% 0.374 PF00587 C1_S121 - (18)4 - / 2 / 2 4
186SA151522 41% 0.400 PF00512 C2_S133 - (30)7 2 / 13 / - 4
187SA046942 73% 0.590 PF09336 C2_S127 - (27)6 - / 19 / 6 4
188SA001813 53% 0.614 PF02518 C5_S156 - (45)8 3 / 11 / - 4
189SA155231 100% 0.526 PF04650 C4_S147 - (0)10 6 / - / 9 4
190SA108613 54% 0.508 PF01926 C12_S113 - (0)6 - / 8 / 1 4
191SA108039 54% 0.540 PF02978 C4_S161 - (0)13 3 / 13 / 15 4
192SA234633 38% 0.555 PF02826 C2_S153 - (37)11 2 / 9 / 9 4
193SA092620 50% 0.616 PF02844 C1_S134 - (22)5 - / 3 / 6 4
194SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
195SA159922 34% 0.585 PF00923 C6_S127 - (1)10 - / - / 20 4
196SA191569 99% 0.597 PF00464 C1_S1108 - (55)16 - / 2 / 57 4
197SA095938 54% 0.485 PF03143 C3_S141 - (0)8 - / 21 / 12 4
198SA209829 46% 0.601 PF02826 C1_S175 - (58)14 1 / 10 / 4 4
199SA142235 99% 0.644 PF01467 C3_S167 - (37)17 4 / 11 / 12 4
200SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4

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