PURS - BACSU - GREMLIN Contacts

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PURS - Phosphoribosylformylglycinamidine synthase subunit PurS

UniProt:	P12049	Sequences: MYKVKVYVSLKESVLDPQGSAVQHALHSMTYNEVQDVRIGKYMELTIEKSDRDLDVLVKEMCEKLLANTVIEDYRYEVEEVVAQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	84 (77)
Sequences:	1190 (648)
Seq/√Len:	73.9

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
59_K	63_E	3.564	1.00
33_E	57_L	3.001	1.00
60_E	64_K	2.811	1.00
22_V	39_I	2.250	1.00
55_D	59_K	2.103	1.00
31_Y	61_M	2.075	1.00
7_Y	42_Y	1.999	1.00
14_V	71_I	1.920	1.00
4_V	78_V	1.869	1.00
39_I	43_M	1.849	1.00
35_Q	48_E	1.840	1.00
49_K	54_L	1.802	1.00
20_S	23_Q	1.755	1.00
5_K	44_E	1.687	1.00
53_D	56_V	1.661	1.00
52_R	55_D	1.644	1.00
5_K	77_E	1.607	0.99
62_C	74_Y	1.583	0.99
49_K	53_D	1.539	0.99
23_Q	36_D	1.518	0.99
26_L	37_V	1.476	0.99
3_K	46_T	1.434	0.99
7_Y	75_R	1.404	0.99
57_L	60_E	1.276	0.97
10_L	71_I	1.272	0.97
26_L	61_M	1.266	0.97
9_S	75_R	1.255	0.97
10_L	70_V	1.204	0.96
3_K	44_E	1.200	0.96
5_K	42_Y	1.197	0.96
7_Y	77_E	1.179	0.96
9_S	73_D	1.168	0.95
19_G	38_R	1.135	0.95
15_L	20_S	1.120	0.94
9_S	42_Y	1.120	0.94
59_K	74_Y	1.086	0.93
18_Q	39_I	1.081	0.93
4_V	47_I	1.069	0.93
6_V	45_L	1.010	0.90
50_S	53_D	1.006	0.90
37_V	45_L	0.990	0.90
40_G	72_E	0.990	0.90
63_E	69_T	0.951	0.88
15_L	21_A	0.940	0.87
8_V	43_M	0.933	0.87
55_D	76_Y	0.925	0.86
13_S	39_I	0.923	0.86
18_Q	22_V	0.912	0.85
47_I	54_L	0.900	0.85
50_S	54_L	0.897	0.84
13_S	20_S	0.895	0.84
53_D	57_L	0.889	0.84
2_Y	14_V	0.888	0.84
2_Y	46_T	0.865	0.82
2_Y	49_K	0.861	0.82
20_S	24_H	0.839	0.80
36_D	46_T	0.824	0.79
22_V	41_K	0.808	0.78
19_G	40_G	0.806	0.77
19_G	37_V	0.801	0.77
23_Q	27_H	0.799	0.77
58_V	76_Y	0.797	0.77
22_V	43_M	0.795	0.76
18_Q	72_E	0.786	0.76
35_Q	46_T	0.778	0.75
51_D	54_L	0.777	0.75
58_V	62_C	0.739	0.71
57_L	61_M	0.717	0.69
62_C	76_Y	0.700	0.67
67_A	70_V	0.697	0.67
60_E	63_E	0.694	0.66
13_S	21_A	0.688	0.66
20_S	36_D	0.680	0.65
56_V	59_K	0.679	0.65
54_L	78_V	0.670	0.64
25_A	67_A	0.652	0.61
32_N	48_E	0.652	0.61
31_Y	57_L	0.647	0.61
21_A	39_I	0.641	0.60
16_D	72_E	0.630	0.59
14_V	42_Y	0.610	0.56
11_K	73_D	0.610	0.56
26_L	45_L	0.609	0.56
25_A	70_V	0.608	0.56
4_V	54_L	0.597	0.55
23_Q	35_Q	0.595	0.55
12_E	78_V	0.593	0.54
43_M	70_V	0.587	0.54
62_C	78_V	0.587	0.54
33_E	56_V	0.586	0.53
18_Q	40_G	0.585	0.53
61_M	65_L	0.585	0.53
8_V	45_L	0.581	0.53
6_V	17_P	0.580	0.53
10_L	38_R	0.569	0.51
52_R	78_V	0.558	0.50
10_L	14_V	0.555	0.50
56_V	60_E	0.551	0.49
12_E	36_D	0.546	0.48
11_K	18_Q	0.539	0.48
45_L	66_L	0.536	0.47
34_V	37_V	0.532	0.47
20_S	28_S	0.531	0.47
20_S	65_L	0.529	0.46
16_D	38_R	0.524	0.46
35_Q	60_E	0.523	0.46
7_Y	44_E	0.522	0.45
21_A	70_V	0.520	0.45
70_V	73_D	0.518	0.45
20_S	73_D	0.512	0.44
18_Q	28_S	0.512	0.44
25_A	29_M	0.510	0.44
59_K	76_Y	0.505	0.43
21_A	65_L	0.504	0.43
5_K	62_C	0.501	0.43
38_R	72_E	0.500	0.43

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
1t4aA	3	0.9524	100	0.195	Contact Map
1vq3A	4	0.9405	100	0.225	Contact Map
2dgbA	2	0.9643	100	0.233	Contact Map
2yx5A	4	0.9643	100	0.234	Contact Map
1gtdA	3	0.9881	100	0.249	Contact Map
2zw2A	2	0.9643	100	0.256	Contact Map
4lgyA	1	0.9524	93.8	0.838	Contact Map
2go8A	2	0.7738	38.5	0.904	Contact Map
1e3pA	3	0.4167	15.9	0.92	Contact Map
3u7iA	2	0.869	15	0.921	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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