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]
100SA063116 95% 0.679 PF00583 C1_S138 - (0)1 - / - / 2 1
101SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
102SA201620 50% 0.679 PF00380 0 - (0)? - / - / - 0
103SA181720 100% 0.678 PF01123 1 - (0)? - / - / - 0
104SA214723 64% 0.677 PF01047 C1_S131 - (0)14 - / - / 8 4
105SA104820 60% 0.677 PF00156 C1_S143 - (30)3 - / - / 3 1
106SA161420 98% 0.677 PF02746 3 - (0)? - / - / - 0
107SA09474 44% 0.674 PF05256 4 - (0)? - / - / - 0
108SA203715 93% 0.674 PF00238 0 - (0)? - / - / - 0
109SA023237 99% 0.673 PF00056 C5_S136 - (26)4 9 / 13 / 1 2
110SA091527 49% 0.672 PF02882 C5_S149 - (41)14 2 / 18 / 8 5
111SA241420 42% 0.672 PF00255 4 - (0)? - / - / - 0
112SA049620 54% 0.671 PF00687 0 - (0)? - / - / - 0
113SA000726 45% 0.671 PF03853 C2_S161 - (46)7 - / 8 / - 4
114SA12616 56% 0.671 PF00085 2 - (0)? - / - / - 0
115SA109920 54% 0.670 PF00155 10 - (10)? - / - / - 0
116SA13205 46% 0.670 PF00388 1 - (0)? - / - / - 0
117SA12639 100% 0.670 PF01264 1 - (1)? - / - / - 0
118SA05023 39% 0.670 PF01248 16 - (0)? - / - / - 0
119SA04979 40% 0.669 PF00466 1 - (0)? - / - / - 0
120SA133120 52% 0.668 PF00248 C4_S132 - (21)2 1 / - / - 0
121SA1153_115 54% 0.668 PF01423 3 - (0)? - / - / - 0
122SA049812 61% 0.668 PF00542 0 - (0)? - / - / - 0
123SA102949 100% 0.668 PF00091 C6_S158 - (0)10 1 / 31 / 12 5
124SA048726 49% 0.667 PF12464 C1_S182 - (56)6 - / - / 13 1
125SA179111 38% 0.666 PF07702 3 - (0)? - / - / - 0
126SA10005 99% 0.665 PF12199 0 - (0)? - / - / - 0
127SA142616 36% 0.663 PF13344 12 - (4)? - / - / - 0
128SA122823 99% 0.663 PF01113 C3_S131 - (15)5 - / 1 / 2 1
129SA107438 100% 0.661 PF00106 C1_S163 - (41)12 12 / 5 / 8 2
130SA19002 100% 0.660 PF00046 2 - (0)? - / - / - 0
131SA138224 71% 0.660 PF00081 C7_S14 - (1)3 - / - / 3 1
132SA149415 59% 0.660 PF03900 C4_S18 - (0)4 3 / 11 / - 2
133SA192815 34% 0.660 PF13580 6 - (3)? - / - / - 0
134SA142458 72% 0.659 PF08501 C4_S175 - (70)13 1 / 19 / 28 4
135SA196213 35% 0.659 PF00359 0 - (0)? - / - / - 0
136SA104723 54% 0.659 PF00215 C1_S142 - (28)12 - / 11 / 5 3
137SA090411 32% 0.659 PF01047 16 - (0)? - / - / - 0
138SA152818 35% 0.658 PF00582 26 - (0)? - / - / - 0
139SA23247 33% 0.658 PF00085 5 - (0)? - / - / - 0
140SA189420 42% 0.658 PF02581 C2_S146 - (37)15 - / 10 / 13 5
141SA038120 97% 0.658 PF05368 52 - (37)? - / - / - 0
142SA107914 100% 0.657 PF04297 2 - (0)? - / - / - 0
143SA172224 99% 0.655 PF01884 C2_S122 - (4)6 - / 1 / 8 3
144SA00945 76% 0.654 PF04507 0 - (0)? - / - / - 0
145SA045825 78% 0.654 PF13793 C9_S129 - (25)5 - / - / 11 3
146SA08337 57% 0.654 PF01106 0 - (0)? - / - / - 0
147SA101716 34% 0.654 PF00717 5 - (0)? - / - / - 0
148SAP00114 100% 0.654 PF02295 C6_S16 - (0)2 - / - / 1 1
149SA099747 51% 0.653 PF01177 C1_S152 - (35)10 - / 1 / 37 4
150SA065899 51% 0.652 PF00248 C7_S1156 - (120)16 66 / 10 / 3 4

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