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]
100SA151742 79% 0.621 PF00180 C6_S156 - (52)16 2 / 13 / 23 5
101SA000642 99% 0.545 PF00521 C7_S180 - (0)9 - / 1 / 28 0
102SA239542 59% 0.686 PF00056 C5_S142 - (32)6 3 / 24 / 2 3
103SA220041 57% 0.626 PF08402 C1_S142 - (0)12 - / 9 / 22 5
104SA249241 41% 0.530 PF00005 C1_S131 - (0)10 - / 18 / 8 5
105SA050641 75% 0.592 PF03143 C3_S140 - (0)5 12 / 22 / 3 2
106SA085141 37% 0.472 PF00005 C1_S142 - (0)6 - / - / 21 4
107SA050041 69% 0.361 PF04560 C6_S173 - (0)2 - / - / 23 0
108SA134941 38% 0.515 PF02852 C2_S161 - (55)5 29 / 1 / 1 2
109SA151241 36% 0.435 PF06827 C13_S1159 - (0)5 - / 5 / 24 0
110SA094241 100% 0.778 PF01327 C7_S149 - (15)16 - / 6 / 19 7
111SA241641 42% 0.456 PF08402 C1_S122 - (0)11 - / 6 / 12 5
112SA214940 41% 0.619 PF08402 C1_S124 - (0)6 - / 3 / 18 4
113SA134840 39% 0.505 PF00676 C5_S133 - (24)8 - / 12 / 9 6
114SA114140 99% 0.510 PF00370 C4_S159 - (59)14 - / 1 / 19 4
115SA242740 64% 0.616 PF02729 C8_S146 - (36)12 - / 8 / 17 5
116SA167440 62% 0.637 PF08402 C1_S135 - (0)14 - / 17 / 15 7
117SA237540 37% 0.553 PF01180 C2_S1145 - (86)9 40 / 2 / 4 4
118SA225140 35% 0.597 PF00005 C1_S131 - (0)12 - / 12 / 12 5
119SA019240 45% 0.547 PF08402 C1_S124 - (0)6 - / 2 / 19 4
120SA084239 100% 0.545 PF08541 C2_S152 - (30)13 - / 5 / 12 2
121SA105239 99% 0.560 PF00625 C2_S151 - (37)14 4 / 13 / 12 5
122SA241339 42% 0.491 PF00175 C2_S1145 - (131)7 17 / 14 / - 3
123SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
124SA071939 97% 0.634 PF07992 C2_S1113 - (100)13 6 / 12 / 8 4
125SA108039 54% 0.540 PF02978 C4_S161 - (0)13 3 / 13 / 15 4
126SA138539 38% 0.650 PF00005 C1_S148 - (0)10 - / 6 / 15 4
127SA060238 35% 0.517 PF00005 C1_S138 - (0)12 - / 7 / 22 5
128SA016638 37% 0.511 PF08402 C1_S121 - (0)10 - / 8 / 10 5
129SA107438 100% 0.661 PF00106 C1_S163 - (41)12 12 / 5 / 8 2
130SA095938 54% 0.485 PF03143 C3_S141 - (0)8 - / 21 / 12 4
131SA023237 99% 0.673 PF00056 C5_S136 - (26)4 9 / 13 / 1 2
132SA129837 91% 0.617 PF01202 C3_S159 - (54)6 8 / 10 / 12 2
133SA158737 51% 0.547 PF00926 C7_S124 - (0)8 - / - / 20 3
134SA139737 52% 0.485 PF00383 C5_S144 - (27)13 - / - / 29 6
135SA155637 33% 0.466 PF00850 C9_S141 - (0)20 - / 6 / 21 3
136SA101337 49% 0.608 PF00696 C2_S147 - (20)8 - / 8 / 14 2
137SA149236 49% 0.611 PF00490 C8_S136 - (19)16 - / - / 19 2
138SA088836 38% 0.460 PF00005 C1_S145 - (0)10 - / 1 / 23 5
139SA034736 39% 0.519 PF01053 C1_S123 - (17)11 - / 2 / 11 5
140SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
141SA041936 54% 0.571 PF01053 C1_S125 - (19)11 - / 2 / 11 5
142SA242536 54% 0.601 PF00696 C5_S146 - (20)9 - / 8 / 14 2
143SA169735 45% 0.445 PF01451 C7_S122 - (2)10 - / - / 16 6
144SA121835 36% 0.482 PF00005 C1_S128 - (0)10 - / 7 / 16 5
145SA142235 99% 0.644 PF01467 C3_S167 - (37)17 4 / 11 / 12 4
146SA045535 59% 0.575 PF01042 C6_S120 - (0)5 - / - / 7 0
147SA130535 100% 0.652 PF00216 C9_S159 - (0)2 4 / 2 / 12 0
148SA122635 43% 0.510 PF02774 C2_S169 - (38)20 12 / 11 / 15 9
149SA023135 51% 0.528 PF00175 C1_S1121 - (36)8 16 / 3 / 9 1
150SA145934 45% 0.513 PF02580 C9_S119 - (0)10 - / 1 / 7 1

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