Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000586 (2017 - Streptococcus pneumoniae - STRR6: Streptococcus pneumoniae (strain ATCC BAA-255 / R6))

Download : Data.csv | 3D Common Core | 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]
50spr190712 62% 0.65 PF00132 C2_S1103 - (79)1 - / - / 1 0
51spr040126 43% 0.53 PF02776 C6_S1100 - (50)18 14 / 7 / 15 1
52spr151553 73% 0.61 PF01820 C1_S199 - (73)14 - / 13 / 30 3
53spr112363 51% 0.63 PF02978 C7_S198 - (68)17 3 / 20 / 21 4
54spr089227 55% 0.33 PF00293 C3_S198 - (41)12 - / - / 13 1
55spr110710 100% 0.60 PF00072 C2_S197 - (0)3 - / - / 1 0
56spr031941 61% 0.38 PF03275 C10_S196 - (75)14 - / 24 / 19 6
57spr002149 75% 0.56 PF00709 C6_S195 - (69)20 - / 37 / 14 7
58spr145023 44% 0.53 PF08543 C3_S195 - (68)8 - / 13 / 2 2
59spr177648 54% 0.47 PF04998 95 - (0)0 - / - / - 0
60spr059220 34% 0.55 PF00106 94 - (58)? - / - / - 0
61spr070121 33% 0.53 PF13460 C1_S194 - (67)2 - / - / 1 0
62spr079322 49% 0.48 PF02863 C7_S194 - (0)5 - / - / 2 0
63spr105549 54% 0.60 PF03167 C7_S192 - (0)20 - / 9 / 32 11
64spr044161 100% 0.64 PF00162 C6_S192 - (82)20 - / 26 / 23 9
65spr097010 53% 0.46 PF00132 C3_S192 - (69)3 - / - / 3 0
66spr062739 53% 0.60 PF01070 C2_S191 - (73)14 6 / 1 / 13 3
67spr066410 43% 0.49 PF00571 91 - (85)? - / - / - 0
68spr024422 47% 0.53 PF00232 C2_S190 - (67)20 - / - / 19 2
69spr157719 47% 0.49 PF00069 C2_S189 - (20)14 - / 7 / 7 3
70spr183322 53% 0.54 PF00232 C2_S189 - (65)20 - / - / 18 1
71spr069236 61% 0.57 PF02852 C1_S189 - (72)8 15 / - / 7 2
72spr116648 52% 0.57 PF02978 C7_S188 - (0)15 4 / 18 / 16 5
73spr139725 44% 0.46 PF01336 C8_S187 - (49)9 - / 12 / - 5
74spr042454 46% 0.55 PF00232 C5_S186 - (68)20 - / - / 32 17
75spr026668 100% 0.66 PF00809 C4_S185 - (31)20 - / 3 / 61 25
76spr108753 56% 0.54 PF00348 C1_S184 - (65)16 - / - / 37 6
77spr064820 39% 0.47 PF00209 83 - (0)? - / - / - 0
78spr087320 59% 0.61 PF01712 C2_S183 - (47)8 3 / 4 / 1 2
79spr027622 86% 0.56 PF00232 C1_S183 - (57)11 - / 1 / 6 3
80spr159233 47% 0.66 PF01467 C2_S183 - (54)18 10 / 9 / 7 5
81spr137959 43% 0.49 PF00005 C1_S182 - (82)12 - / 34 / 6 3
82spr123447 43% 0.55 PF08501 C5_S181 - (77)13 - / 6 / 29 2
83spr143282 100% 0.58 PF00121 C6_S180 - (58)20 - / - / 47 10
84spr118369 48% 0.48 PF00005 C1_S180 - (80)14 - / 2 / 56 8
85spr201570 64% 0.59 PF00291 C3_S179 - (52)20 - / 5 / 50 4
86spr177547 55% 0.65 PF00334 C6_S179 - (69)20 - / 10 / 25 7
87spr191821 98% 0.55 PF02793 C1_S179 - (0)5 - / 2 / 3 1
88spr106950 94% 0.80 PF00232 C3_S179 - (63)20 - / - / 33 17
89spr029024 89% 0.56 PF00106 C1_S178 - (51)7 1 / 2 / 6 2
90spr064228 69% 0.49 PF02776 C4_S178 - (63)2 5 / 22 / - 1
91spr089130 100% 0.82 PF12804 C2_S178 - (49)12 - / - / 10 2
92spr115569 52% 0.59 PF02729 C7_S178 - (39)20 - / 24 / 21 7
93spr195420 39% 0.45 PF13199 C2_S177 - (0)20 - / - / 15 3
94spr122833 40% 0.60 PF01202 C2_S177 - (64)13 - / 2 / 18 4
95spr073830 82% 0.54 PF01048 C1_S176 - (54)20 - / - / 24 5
96spr064619 67% 0.37 PF00232 C8_S176 - (51)10 - / - / 2 1
97spr155420 41% 0.60 PF00881 76 - (0)0 - / - / - 0
98spr073472 80% 0.65 PF01048 C4_S175 - (42)20 - / 7 / 48 22
99spr016113 54% 0.57 PF00885 C5_S175 - (59)10 - / - / 1 0
100spr032059 74% 0.72 PF00483 C1_S174 - (31)20 - / 15 / 39 15

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