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]
100SA148720 34% 0.554 PF08245 C1_S124 - (14)8 - / 2 / 5 5
101SA220041 57% 0.626 PF08402 C1_S142 - (0)12 - / 9 / 22 5
102SA084731 40% 0.482 PF00005 C1_S129 - (0)10 - / 3 / 14 5
103SA050828 42% 0.573 PF00155 C1_S129 - (21)10 - / - / 13 5
104SA029518 49% 0.575 PF03767 C3_S118 - (1)8 - / - / 7 5
105SA000934 52% 0.404 PF00587 C4_S126 - (26)9 - / 12 / 10 5
106SA029746 38% 0.601 PF00005 C1_S141 - (0)12 - / 13 / 15 5
107SA242740 64% 0.616 PF02729 C8_S146 - (36)12 - / 8 / 17 5
108SA016638 37% 0.511 PF08402 C1_S121 - (0)10 - / 8 / 10 5
109SA108327 44% 0.583 PF01746 C5_S129 - (18)12 - / 21 / 4 5
110SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
111SA151742 79% 0.621 PF00180 C6_S156 - (52)16 2 / 13 / 23 5
112SA225228 33% 0.554 PF09383 C1_S121 - (0)11 - / - / 15 5
113SA034736 39% 0.519 PF01053 C1_S123 - (17)11 - / 2 / 11 5
114SA225140 35% 0.597 PF00005 C1_S131 - (0)12 - / 12 / 12 5
115SA249241 41% 0.530 PF00005 C1_S131 - (0)10 - / 18 / 8 5
116SA091725 97% 0.565 PF02222 C1_S148 - (36)9 - / 6 / 13 5
117SA134225 69% 0.497 PF03446 C1_S128 - (16)11 - / 3 / 9 5
118SA091527 49% 0.672 PF02882 C5_S149 - (41)14 2 / 18 / 8 5
119SA041936 54% 0.571 PF01053 C1_S125 - (19)11 - / 2 / 11 5
120SAP02231 38% 0.589 PF00005 C1_S122 - (0)10 - / - / 19 5
121SA157127 52% 0.617 PF01063 C6_S171 - (63)16 - / 8 / 13 5
122SA112833 67% 0.521 PF00154 C2_S141 - (0)11 - / 16 / 8 5
123SA195931 98% ? PF01380 C2_S114 - (13)10 - / - / 11 5
124SA241641 42% 0.456 PF08402 C1_S122 - (0)11 - / 6 / 12 5
125SA188570 44% 0.636 PF00271 C4_S189 - (0)16 17 / 16 / 24 5
126SA047529 73% 0.482 PF01336 C5_S140 - (28)12 - / 7 / 5 5
127SA172833 59% 0.531 PF02540 C7_S161 - (54)11 - / 14 / 13 5
128SA014720 36% 0.540 PF02719 C1_S177 - (68)12 4 / 6 / 5 5
129SA155420 36% 0.515 PF13193 C3_S162 - (23)10 - / 4 / 6 5
130SA192128 63% 0.507 PF00265 C8_S140 - (39)9 7 / 14 / 3 5
131SA220446 54% 0.455 PF00300 C1_S143 - (36)13 - / - / 22 5
132SA017634 38% 0.558 PF00696 C1_S155 - (43)12 - / 3 / 15 5
133SA128725 46% 0.543 PF01336 C4_S131 - (23)10 - / 13 / - 5
134SA003820 100% 0.516 PF00905 C2_S118 - (0)5 - / 2 / 3 5
135SA105239 99% 0.560 PF00625 C2_S151 - (37)14 4 / 13 / 12 5
136SA020646 51% 0.526 PF00005 C2_S132 - (0)10 - / 11 / 15 5
137SA185421 41% 0.515 PF00814 C5_S123 - (21)10 - / 16 / - 5
138SA067744 46% 0.621 PF08402 C1_S128 - (0)12 - / 16 / 8 5
139SA189420 42% 0.658 PF02581 C2_S146 - (37)15 - / 10 / 13 5
140SA060238 35% 0.517 PF00005 C1_S138 - (0)12 - / 7 / 22 5
141SA063942 35% 0.365 PF00005 C2_S174 - (74)8 - / 26 / 7 5
142SA192726 100% 0.593 PF01116 C3_S121 - (18)7 - / - / 15 5
143SA019826 40% 0.514 PF09383 C3_S114 - (0)8 - / - / 8 5
144SA137420 36% 0.488 PF00437 C3_S117 - (17)4 - / - / 4 4
145SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
146SA234426 50% 0.442 PF00702 C1_S117 - (0)8 - / 5 / 5 4
147SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
148SA246618 35% 0.542 PF00977 C3_S129 - (0)4 1 / 1 / 2 4
149SA072617 46% 0.584 PF04198 C3_S123 - (11)7 - / - / 8 4
150SA019240 45% 0.547 PF08402 C1_S124 - (0)6 - / 2 / 19 4

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