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]
50spr073145 75% 0.51 PF06026 C9_S151 - (21)18 - / - / 27 6
51spr112363 51% 0.63 PF02978 C7_S198 - (68)17 3 / 20 / 21 4
52spr113547 59% 0.59 PF00180 C6_S163 - (52)17 - / 6 / 26 4
53spr132246 70% 0.68 PF01680 C6_S161 - (18)16 - / - / 14 3
54spr108753 56% 0.54 PF00348 C1_S184 - (65)16 - / - / 37 6
55spr072931 52% 0.69 PF02882 C5_S154 - (43)16 7 / 11 / 12 5
56spr163263 98% 0.57 PF00291 C4_S166 - (54)16 6 / 7 / 33 8
57spr038422 54% 0.55 PF07977 C2_S152 - (1)16 - / - / 12 0
58spr118831 48% 0.54 PF00383 C5_S139 - (28)16 - / - / 28 5
59spr091945 98% 0.62 PF00701 C3_S1138 - (123)16 - / - / 14 1
60spr195744 73% 0.71 PF02729 C7_S152 - (42)16 - / 7 / 23 5
61spr170321 36% 0.57 PF08402 C1_S150 - (0)16 - / 5 / 8 0
62spr149946 64% 0.58 PF00300 C3_S144 - (37)15 - / - / 27 6
63spr135436 44% 0.65 PF00005 C1_S160 - (56)15 - / 13 / 12 5
64spr147224 63% 0.54 PF07973 C2_S130 - (9)15 1 / 8 / 8 4
65spr153630 100% 0.58 PF04650 C5_S161 - (27)15 - / 4 / 18 5
66spr116648 52% 0.57 PF02978 C7_S188 - (0)15 4 / 18 / 16 5
67spr005347 67% 0.63 PF00731 C4_S147 - (29)15 - / 1 / 30 6
68spr112824 74% 0.56 PF00478 C1_S144 - (27)15 - / 3 / 14 3
69spr063022 41% 0.64 PF02581 C3_S150 - (39)15 - / 10 / 13 3
70spr177321 34% 0.50 PF00005 C1_S139 - (0)15 - / 4 / 13 5
71spr164424 56% 0.56 PF08402 C1_S155 - (0)15 - / 7 / 8 3
72spr038124 50% 0.59 PF00106 C1_S174 - (47)15 5 / 1 / 2 1
73spr072838 63% 0.60 PF00005 C1_S157 - (0)15 - / 17 / 20 6
74spr092872 81% 0.59 PF01041 C1_S1105 - (51)15 - / 2 / 58 3
75spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
76spr151553 73% 0.61 PF01820 C1_S199 - (73)14 - / 13 / 30 3
77spr158332 62% 0.54 PF00625 C4_S143 - (34)14 6 / 11 / 8 5
78spr109024 51% 0.58 PF00485 C1_S149 - (36)14 5 / 8 / 7 5
79spr167820 43% 0.55 PF08402 C1_S157 - (0)14 - / 9 / 4 1
80spr124647 50% 0.55 PF00005 C2_S152 - (0)14 - / 8 / 11 6
81spr031941 61% 0.38 PF03275 C10_S196 - (75)14 - / 24 / 19 6
82spr118369 48% 0.48 PF00005 C1_S180 - (80)14 - / 2 / 56 8
83spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
84spr081235 43% 0.60 PF00005 C1_S146 - (0)14 - / 14 / 12 3
85spr104722 98% 0.55 PF10437 C4_S137 - (26)14 2 / 7 / 7 3
86spr062739 53% 0.60 PF01070 C2_S191 - (73)14 6 / 1 / 13 3
87spr202543 56% 0.59 PF00005 C1_S155 - (0)14 - / 1 / 23 5
88spr040835 56% 0.60 PF00005 C1_S161 - (0)14 - / 16 / 17 5
89spr157719 47% 0.49 PF00069 C2_S189 - (20)14 - / 7 / 7 3
90spr112134 64% 0.63 PF00005 C1_S157 - (0)14 - / 13 / 10 5
91spr003526 77% 0.62 PF00155 C1_S149 - (34)14 - / - / 18 1
92spr170445 39% 0.47 PF00005 C1_S160 - (0)14 - / - / 29 6
93spr074632 55% 0.65 PF00383 C3_S143 - (30)14 - / - / 26 5
94spr120245 42% 0.52 PF00005 C1_S164 - (0)14 - / 6 / 30 6
95spr154031 53% 0.62 PF01168 C2_S141 - (25)14 - / 6 / 22 4
96spr180130 37% 0.48 PF00005 C1_S165 - (0)14 - / 4 / 11 4
97spr199144 74% 0.63 PF00370 C3_S169 - (69)14 - / 3 / 24 4
98spr062235 52% 0.62 PF00005 C1_S151 - (0)13 - / 10 / 22 6
99spr127638 76% 0.54 PF02540 C6_S167 - (61)13 - / 16 / 13 3
100spr052526 40% 0.59 PF00005 C1_S152 - (0)13 - / 2 / 17 4

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