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]
50spr121728 100% 0.52 PF01641 12 - (1)7 - / - / - 0
51spr047617 100% 0.55 PF02390 13 - (0)? - / - / - 0
52spr044015 100% 0.48 PF03256 5 - (0)1 - / - / - 0
53spr028622 100% 0.77 PF08124 C1_S133 - (0)9 1 / 1 / 11 4
54spr064017 100% 0.61 PF00127 2 - (0)? - / - / - 0
55spr010120 100% 0.57 PF00497 C2_S144 - (0)2 - / - / 3 1
56spr04858 100% 0.75 PF07516 6 - (0)? - / - / - 0
57spr014616 100% 0.56 PF00497 19 - (0)? - / - / - 0
58spr202115 100% 0.63 PF00877 8 - (0)1 - / - / - 0
59spr145631 100% 0.69 PF02224 C3_S138 - (32)13 - / 11 / 15 6
60spr114716 100% 0.57 PF01636 C1_S134 - (11)4 - / - / 5 1
61spr030419 100% ? PF00905 C1_S122 - (0)9 - / 1 / 8 3
62spr02182 100% 0.62 PF00625 0 - (0)? - / - / - 0
63spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
64spr090620 100% 0.59 PF01297 9 - (3)? - / - / - 0
65spr055420 100% 0.64 PF01079 C5_S110 - (0)5 - / - / 4 1
66spr109972 100% 0.55 PF00521 C7_S1142 - (0)9 - / 6 / 52 0
67spr190920 100% 0.61 PF00905 C1_S118 - (0)1 - / - / 1 1
68spr20236 100% 0.66 PF04085 2 - (0)0 - / - / - 0
69spr173920 100% 0.47 PF01289 C7_S14 - (0)3 - / - / 2 1
70spr109818 100% 0.48 -4 - (0)? - / - / - 0
71spr093417 100% 0.65 PF01497 C2_S149 - (0)6 3 / 2 / 2 2
72spr123219 100% 0.51 PF01264 C5_S13 - (0)2 - / - / 1 0
73spr075643 100% 0.45 PF01751 C4_S1103 - (0)4 - / 4 / 27 1
74spr133518 100% 0.58 PF01408 C2_S143 - (37)2 4 / - / - 1
75spr168220 100% 0.58 PF02127 15 - (0)1 - / - / - 0
76spr17332 100% 0.70 PF00157 C4_S13 - (0)1 - / - / 2 1
77spr197221 100% 0.52 PF00596 C2_S123 - (23)4 - / - / 3 2
78spr002512 100% 0.57 PF01078 C1_S16 - (0)2 - / 2 / 3 1
79spr189919 100% 0.58 PF01895 2 - (0)? - / - / - 0
80spr125718 100% 0.48 PF12849 C2_S18 - (0)? - / - / 1 0
81spr026668 100% 0.66 PF00809 C4_S185 - (31)20 - / 3 / 61 25
82spr016231 100% 0.56 PF00926 C4_S130 - (0)8 - / - / 19 3
83spr082019 100% 0.55 PF03435 C3_S119 - (11)2 3 / - / - 1
84spr131041 100% 0.47 PF01327 C6_S1127 - (28)20 - / 6 / 26 14
85spr062813 100% 0.60 PF03070 C1_S129 - (9)1 - / - / 2 1
86spr04793 100% 0.67 PF07888 5 - (0)? - / - / - 0
87spr083116 100% 0.53 PF01183 C2_S115 - (0)7 - / 1 / 2 0
88spr114917 100% 0.53 PF01128 C2_S128 - (23)6 - / 2 / 4 1
89spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
90spr03346 100% 0.60 PF01063 9 - (9)? - / - / - 0
91spr13457 100% 0.44 -2 - (0)1 - / - / - 0
92spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
93spr175415 100% 0.59 PF01183 C2_S117 - (0)3 - / 2 / 2 2
94spr166618 100% 0.49 PF03061 C1_S151 - (0)2 - / - / 13 1
95spr089130 100% 0.82 PF12804 C2_S178 - (49)12 - / - / 10 2
96spr20430 100% 0.68 PF01193 0 - (0)? - / - / - 0
97spr130513 100% 0.62 PF13472 C1_S111 - (0)1 - / - / 1 0
98spr075761 100% 0.54 PF00521 C6_S1111 - (0)10 - / 3 / 43 1
99spr196913 99% 0.63 PF14805 11 - (8)? - / - / - 0
100spr204111 99% 0.07 PF00072 46 - (0)? - / - / - 0

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