PHS - HALSA - GREMLIN Contacts

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PHS - Putative pterin-4-alpha-carbinolamine dehydratase

UniProt:	Q9HP73	Sequences: MSDRLDDDTISDRLPDDWIHDGDAITRTYTFEEYLDGVAFASEVGDLADEAFHHPEITIRYDEVEVRFTDHEAGGVTSQDIELARRTDDRR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	91 (84)
Sequences:	2027 (1391)
Seq/√Len:	151.8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
73_A	77_T	2.631	1.00
38_V	45_G	2.526	1.00
44_V	87_T	2.173	1.00
78_S	82_E	2.128	1.00
66_V	87_T	2.079	1.00
28_T	65_E	1.982	1.00
27_R	88_D	1.969	1.00
17_D	27_R	1.911	1.00
13_R	81_I	1.911	1.00
38_V	42_S	1.888	1.00
6_D	9_T	1.877	1.00
41_A	59_I	1.731	1.00
68_F	87_T	1.706	1.00
47_L	86_R	1.702	1.00
56_E	60_R	1.662	1.00
31_F	40_F	1.612	1.00
24_A	67_R	1.568	1.00
41_A	57_I	1.511	1.00
20_H	76_V	1.506	1.00
33_E	36_D	1.485	1.00
51_A	79_Q	1.459	1.00
51_A	82_E	1.451	1.00
70_D	79_Q	1.444	1.00
38_V	41_A	1.411	1.00
47_L	51_A	1.399	1.00
29_Y	87_T	1.378	1.00
35_L	43_E	1.372	1.00
17_D	88_D	1.372	1.00
34_Y	37_G	1.346	1.00
26_T	67_R	1.315	1.00
79_Q	82_E	1.305	1.00
68_F	83_L	1.288	1.00
40_F	64_V	1.241	1.00
38_V	59_I	1.200	1.00
32_E	36_D	1.187	1.00
7_D	11_S	1.177	1.00
28_T	63_E	1.163	1.00
81_I	85_R	1.151	1.00
39_A	42_S	1.121	0.99
29_Y	88_D	1.103	0.99
39_A	46_D	1.090	0.99
37_G	64_V	1.083	0.99
7_D	20_H	1.081	0.99
8_D	12_D	1.075	0.99
46_D	50_E	1.066	0.99
13_R	16_D	1.063	0.99
10_I	20_H	1.036	0.99
57_I	66_V	1.034	0.99
30_T	62_D	0.997	0.99
10_I	81_I	0.962	0.98
9_T	78_S	0.958	0.98
76_V	81_I	0.953	0.98
26_T	65_E	0.949	0.98
5_L	10_I	0.933	0.98
12_D	16_D	0.931	0.98
16_D	85_R	0.907	0.98
31_F	37_G	0.903	0.98
75_G	81_I	0.900	0.98
51_A	86_R	0.886	0.97
19_I	26_T	0.881	0.97
47_L	50_E	0.858	0.97
40_F	44_V	0.850	0.97
42_S	46_D	0.843	0.96
20_H	25_I	0.836	0.96
49_D	52_F	0.818	0.96
82_E	85_R	0.810	0.96
61_Y	72_E	0.808	0.95
58_T	65_E	0.798	0.95
83_L	87_T	0.792	0.95
29_Y	66_V	0.775	0.94
36_D	39_A	0.763	0.94
35_L	49_D	0.763	0.94
35_L	46_D	0.763	0.94
12_D	15_P	0.741	0.93
48_A	55_P	0.730	0.92
41_A	45_G	0.729	0.92
8_D	11_S	0.728	0.92
56_E	69_T	0.728	0.92
24_A	69_T	0.718	0.92
72_E	79_Q	0.707	0.91
23_D	69_T	0.707	0.91
58_T	67_R	0.705	0.91
35_L	39_A	0.701	0.91
21_D	26_T	0.682	0.90
37_G	49_D	0.677	0.89
13_R	85_R	0.673	0.89
39_A	49_D	0.672	0.89
9_T	12_D	0.670	0.89
36_D	43_E	0.669	0.89
38_V	57_I	0.668	0.89
45_G	59_I	0.667	0.89
40_F	66_V	0.665	0.88
50_E	86_R	0.643	0.87
20_H	23_D	0.636	0.86
52_F	79_Q	0.630	0.86
25_I	76_V	0.625	0.85
70_D	74_G	0.620	0.85
25_I	88_D	0.619	0.85
37_G	62_D	0.617	0.84
57_I	60_R	0.617	0.84
82_E	86_R	0.594	0.82
54_H	71_H	0.586	0.81
39_A	43_E	0.579	0.80
37_G	59_I	0.574	0.80
8_D	15_P	0.574	0.80
41_A	64_V	0.573	0.80
43_E	46_D	0.561	0.78
59_I	64_V	0.561	0.78
34_Y	68_F	0.560	0.78
41_A	60_R	0.558	0.78
79_Q	83_L	0.556	0.78
19_I	32_E	0.542	0.76
14_L	20_H	0.540	0.76
46_D	49_D	0.540	0.76
10_I	76_V	0.539	0.76
51_A	83_L	0.538	0.75
60_R	63_E	0.533	0.75
35_L	38_V	0.532	0.75
56_E	71_H	0.529	0.74
13_R	78_S	0.528	0.74
33_E	62_D	0.521	0.73
60_R	69_T	0.520	0.73
78_S	81_I	0.505	0.71
8_D	78_S	0.504	0.71
9_T	13_R	0.501	0.70
44_V	66_V	0.500	0.70

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
3jstA	1	1	100	0.195	Contact Map
4wilA	4	1	100	0.199	Contact Map
3hxaA	5	1	100	0.199	Contact Map
2ebbA	2	0.978	100	0.205	Contact Map
2v6uA	4	1	100	0.222	Contact Map
1usmA	2	0.8132	99.9	0.277	Contact Map
4lowA	2	0.8791	99.9	0.317	Contact Map
1mdcA	1	0.7692	27.2	0.911	Contact Map
3pptA	1	0.8132	26.9	0.912	Contact Map
2g7bA	1	0.8242	26.5	0.912	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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