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]
50spr116648 52% 0.57 PF02978 C7_S188 - (0)15 4 / 18 / 16 5
51spr009218 36% 0.56 PF02719 C1_S173 - (67)8 4 / 8 / 8 6
52spr024320 66% 0.56 PF00587 C1_S141 - (30)4 4 / 3 / - 2
53spr023420 55% 0.61 PF00465 C2_S130 - (28)4 4 / - / 6 2
54spr132320 75% 0.56 PF02852 C1_S170 - (66)5 4 / - / 1 1
55spr08448 51% 0.60 PF01494 C1_S166 - (41)2 4 / - / - 1
56spr133518 100% 0.58 PF01408 C2_S143 - (37)2 4 / - / - 1
57spr186993 51% 0.56 PF01702 C6_S1116 - (39)20 3 / 39 / 49 57
58spr112363 51% 0.63 PF02978 C7_S198 - (68)17 3 / 20 / 21 4
59spr037735 99% 0.52 PF08541 C2_S167 - (36)20 3 / 17 / 4 9
60spr189421 35% ? PF00512 C2_S142 - (40)10 3 / 14 / - 2
61spr124021 48% 0.35 PF07973 C2_S121 - (0)8 3 / 6 / 4 5
62spr196320 46% 0.59 PF00465 C5_S137 - (33)6 3 / 6 / - 2
63spr087320 59% 0.61 PF01712 C2_S183 - (47)8 3 / 4 / 1 2
64spr032321 80% 0.56 PF01370 C1_S151 - (47)5 3 / 3 / - 1
65spr122928 97% 0.55 PF00275 C7_S123 - (16)7 3 / 2 / 6 3
66spr093417 100% 0.65 PF01497 C2_S149 - (0)6 3 / 2 / 2 2
67spr115715 47% 0.65 PF14815 C3_S174 - (0)2 3 / 2 / 1 0
68spr109227 40% 0.56 PF01509 C3_S131 - (0)4 3 / 1 / 6 0
69spr104822 41% 0.51 PF02852 C2_S162 - (54)7 3 / 1 / 2 1
70spr082019 100% 0.55 PF03435 C3_S119 - (11)2 3 / - / - 1
71spr015616 80% 0.60 PF00258 C4_S134 - (34)2 3 / - / - 1
72spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
73spr110047 67% 0.60 PF00056 C5_S165 - (56)8 2 / 16 / 12 1
74spr185432 51% 0.53 PF00871 C7_S159 - (50)20 2 / 11 / 14 12
75spr104722 98% 0.55 PF10437 C4_S137 - (26)14 2 / 7 / 7 3
76spr067033 53% 0.56 PF00271 C3_S145 - (0)12 2 / 6 / 13 3
77spr050732 73% 0.50 PF01409 C2_S127 - (14)11 2 / 4 / 8 9
78spr013918 50% 0.49 PF03721 C2_S146 - (31)5 2 / 3 / 3 0
79spr157120 53% 0.50 PF01154 C2_S121 - (13)8 2 / 3 / 3 3
80spr111817 75% 0.49 PF00271 C3_S123 - (0)3 2 / 3 / 1 0
81spr034121 99% 0.54 PF01070 C4_S142 - (30)3 2 / 3 / - 2
82spr070821 46% ? PF00512 C2_S142 - (36)5 2 / 3 / - 1
83spr102024 89% 0.52 PF00216 C9_S158 - (0)2 2 / 2 / 4 1
84spr099521 69% 0.48 PF13361 C4_S118 - (0)2 2 / 2 / 2 1
85spr151418 100% 0.58 PF08245 C3_S129 - (17)4 2 / 2 / 1 1
86spr168321 43% 0.46 PF16363 C1_S1130 - (118)5 2 / 1 / 1 0
87spr199020 69% 0.51 PF01266 C3_S150 - (30)3 2 / 1 / 1 1
88spr114117 45% 0.43 PF01396 C3_S111 - (0)6 2 / - / 6 2
89spr051522 34% 0.55 PF02219 C7_S171 - (57)10 2 / - / 6 0
90spr069013 100% 0.61 PF03830 C2_S118 - (0)5 2 / - / 6 3
91spr012415 51% 0.44 PF13932 C2_S122 - (0)2 2 / - / - 1
92spr117516 100% 0.55 PF00258 C1_S161 - (61)2 2 / - / - 1
93spr053716 33% 0.46 PF02833 C4_S110 - (0)3 2 / - / - 0
94spr047818 44% 0.50 PF00575 C7_S14 - (0)2 2 / - / - 0
95spr139386 56% 0.55 PF00160 C1_S1119 - (8)20 1 / 12 / 34 21
96spr072521 63% ? PF10431 C1_S116 - (0)6 1 / 12 / - 3
97spr067988 51% 0.67 PF00160 C4_S1116 - (3)20 1 / 8 / 33 24
98spr147224 63% 0.54 PF07973 C2_S130 - (9)15 1 / 8 / 8 4
99spr048121 55% 0.47 PF04760 C2_S119 - (0)6 1 / 8 / 3 2
100spr007721 35% ? PF00512 C1_S136 - (33)8 1 / 6 / 1 2

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