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]
100spr005920 99% 0.57 PF01301 74 - (0)1 - / - / - 0
101spr115715 47% 0.65 PF14815 C3_S174 - (0)2 3 / 2 / 1 0
102spr032059 74% 0.72 PF00483 C1_S174 - (31)20 - / 15 / 39 15
103spr097961 73% 0.67 PF04545 C4_S174 - (0)2 30 / - / 6 0
104spr038124 50% 0.59 PF00106 C1_S174 - (47)15 5 / 1 / 2 1
105spr137218 46% 0.45 PF00583 73 - (50)? - / - / - 0
106spr144062 62% 0.57 PF00271 C1_S173 - (0)18 8 / 18 / 26 5
107spr189840 39% 0.52 PF00005 C1_S173 - (0)13 - / 9 / 14 5
108spr009218 36% 0.56 PF02719 C1_S173 - (67)8 4 / 8 / 8 6
109spr100544 51% 0.56 PF01513 C8_S172 - (32)20 - / 10 / 38 9
110spr158020 45% 0.57 PF00551 72 - (8)2 - / - / - 0
111spr032229 91% 0.76 PF16363 C1_S172 - (68)4 27 / - / - 1
112spr16277 39% 0.46 PF00583 71 - (39)? - / - / - 0
113spr051522 34% 0.55 PF02219 C7_S171 - (57)10 2 / - / 6 0
114spr063829 50% 0.57 PF08543 C1_S170 - (57)10 - / 2 / 7 1
115spr132320 75% 0.56 PF02852 C1_S170 - (66)5 4 / - / 1 1
116spr03012 49% 0.87 PF01381 70 - (0)2 - / - / - 0
117spr199144 74% 0.63 PF00370 C3_S169 - (69)14 - / 3 / 24 4
118spr143527 52% 0.50 PF00156 C4_S169 - (53)11 - / 10 / 16 2
119spr158814 38% 0.43 PF08241 C2_S169 - (33)1 - / - / 1 0
120spr077333 61% 0.62 PF00266 C2_S168 - (47)12 - / - / 31 0
121spr151065 67% 0.66 PF00091 C3_S168 - (0)10 - / 17 / 36 5
122spr124720 52% 0.60 PF02873 C2_S168 - (43)3 5 / - / 1 1
123spr110827 50% 0.48 PF14815 C3_S168 - (0)9 10 / 2 / 11 2
124spr127638 76% 0.54 PF02540 C6_S167 - (61)13 - / 16 / 13 3
125spr151318 96% 0.48 PF00293 C1_S167 - (33)4 - / - / 2 1
126spr160416 40% 0.38 PF00230 C8_S167 - (0)4 - / - / 1 0
127spr037735 99% 0.52 PF08541 C2_S167 - (36)20 3 / 17 / 4 9
128spr08448 51% 0.60 PF01494 C1_S166 - (41)2 4 / - / - 1
129spr091832 100% 0.58 PF02774 C3_S166 - (0)9 13 / 11 / 2 3
130spr163263 98% 0.57 PF00291 C4_S166 - (54)16 6 / 7 / 33 8
131spr038528 60% 0.53 PF02786 C1_S166 - (32)20 - / 14 / 11 3
132spr153145 99% 0.56 PF02973 C2_S166 - (25)20 - / 6 / 34 23
133spr181244 37% 0.51 PF00710 C7_S166 - (65)12 - / - / 27 4
134spr062018 56% 0.57 PF10613 C5_S165 - (0)2 - / - / 6 1
135spr188523 52% 0.43 PF00005 C1_S165 - (63)12 - / 8 / 2 2
136spr110047 67% 0.60 PF00056 C5_S165 - (56)8 2 / 16 / 12 1
137spr180130 37% 0.48 PF00005 C1_S165 - (0)14 - / 4 / 11 4
138spr08858 26% 0.50 PF03539 65 - (0)? - / - / - 0
139spr120245 42% 0.52 PF00005 C1_S164 - (0)14 - / 6 / 30 6
140spr117925 46% 0.42 PF04261 C3_S164 - (0)8 5 / - / 5 1
141spr165722 44% 0.45 PF00005 C2_S164 - (62)7 - / 3 / 3 0
142spr125332 37% 0.53 PF00005 C1_S164 - (61)12 - / 8 / 14 4
143spr068754 49% 0.51 PF01746 C5_S164 - (22)20 - / 23 / 29 35
144spr134357 75% 0.64 PF03143 C2_S164 - (0)7 15 / 32 / 4 3
145spr160243 55% 0.64 PF00085 C1_S164 - (0)4 - / - / 4 0
146spr203346 91% 0.59 PF00478 C2_S163 - (44)19 - / 12 / 29 5
147spr113547 59% 0.59 PF00180 C6_S163 - (52)17 - / 6 / 26 4
148spr144613 23% 0.29 PF03539 63 - (0)? - / - / - 0
149spr075412 23% 0.35 PF03539 63 - (0)? - / - / - 0
150spr086520 51% 0.53 PF00175 C3_S163 - (45)2 8 / - / - 1

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