Tox-URI2 - PFAM28P - GREMLIN Contacts

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Tox-URI2 - URI fold toxin 2

PFAM:	PF15653	Sequences: SKKSTKPQHGYEIRDKGTVYKYGISGGPINKDGLSPRARYQVRKLNKEAGWMRYEARILKGIPGRKKALEWETEKIKRYKKKHG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	84 (81)
Sequences:	597 (528)
Seq/√Len:	58.6
META:	0.868

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
10_G	71_W	3.838	1.00
24_I	65_R	3.473	1.00
27_G	36_P	2.062	1.00
30_N	34_L	2.023	1.00
65_R	69_L	1.855	1.00
30_N	39_R	1.793	0.99
15_D	53_R	1.757	0.99
24_I	68_A	1.711	0.99
20_Y	45_L	1.645	0.99
69_L	72_E	1.617	0.99
28_P	36_P	1.597	0.99
77_K	81_K	1.595	0.99
4_S	8_Q	1.590	0.99
12_E	19_V	1.560	0.98
42_V	56_A	1.510	0.98
24_I	69_L	1.490	0.98
12_E	57_R	1.448	0.97
9_H	35_S	1.430	0.97
14_R	55_E	1.417	0.97
64_G	67_K	1.410	0.97
34_L	39_R	1.386	0.97
26_G	38_A	1.380	0.97
40_Y	44_K	1.360	0.96
22_Y	75_K	1.343	0.96
73_T	77_K	1.342	0.96
77_K	80_K	1.340	0.96
39_R	56_A	1.337	0.96
67_K	70_E	1.317	0.95
19_V	22_Y	1.302	0.95
22_Y	59_L	1.286	0.95
9_H	25_S	1.266	0.94
45_L	48_E	1.262	0.94
25_S	35_S	1.217	0.93
39_R	43_R	1.174	0.92
35_S	41_Q	1.171	0.92
44_K	48_E	1.144	0.91
21_K	41_Q	1.124	0.90
32_D	39_R	1.106	0.89
38_A	42_V	1.098	0.89
34_L	38_A	1.079	0.88
42_V	46_N	1.063	0.87
38_A	56_A	1.050	0.87
78_R	81_K	1.049	0.86
29_I	39_R	1.049	0.86
67_K	78_R	1.040	0.86
27_G	40_Y	1.031	0.86
29_I	36_P	1.018	0.85
7_P	61_G	1.009	0.84
69_L	73_T	0.999	0.84
37_R	41_Q	0.979	0.82
29_I	34_L	0.978	0.82
20_Y	50_G	0.958	0.81
14_R	18_T	0.950	0.80
12_E	59_L	0.934	0.79
49_A	53_R	0.933	0.79
30_N	36_P	0.932	0.79
6_K	73_T	0.919	0.78
76_I	80_K	0.906	0.77
43_R	47_K	0.897	0.77
66_K	70_E	0.867	0.74
16_K	19_V	0.864	0.74
75_K	78_R	0.860	0.73
78_R	82_K	0.859	0.73
36_P	40_Y	0.842	0.72
55_E	79_Y	0.836	0.71
9_H	15_D	0.831	0.71
13_I	41_Q	0.826	0.70
26_G	29_I	0.825	0.70
60_K	71_W	0.824	0.70
5_T	10_G	0.823	0.70
71_W	74_E	0.811	0.69
9_H	13_I	0.806	0.68
8_Q	68_A	0.799	0.68
13_I	68_A	0.792	0.67
22_Y	79_Y	0.785	0.66
61_G	64_G	0.765	0.64
10_G	45_L	0.763	0.64
78_R	83_H	0.761	0.64
37_R	68_A	0.729	0.61
7_P	64_G	0.724	0.60
67_K	74_E	0.711	0.59
11_Y	37_R	0.710	0.59
44_K	52_M	0.696	0.57
13_I	37_R	0.693	0.57
29_I	42_V	0.664	0.54
52_M	55_E	0.654	0.53
56_A	59_L	0.649	0.52
6_K	26_G	0.637	0.51
50_G	70_E	0.633	0.50
22_Y	78_R	0.631	0.50
19_V	59_L	0.626	0.49
57_R	82_K	0.620	0.49
26_G	36_P	0.614	0.48
17_G	70_E	0.609	0.48
5_T	18_T	0.593	0.46
40_Y	43_R	0.593	0.46
14_R	57_R	0.574	0.44
9_H	41_Q	0.570	0.43
52_M	60_K	0.569	0.43
9_H	37_R	0.568	0.43
8_Q	22_Y	0.565	0.43
60_K	63_P	0.556	0.42
13_I	42_V	0.556	0.42
40_Y	63_P	0.555	0.42
24_I	72_E	0.553	0.41
16_K	55_E	0.553	0.41
71_W	75_K	0.553	0.41
64_G	68_A	0.549	0.41
17_G	49_A	0.547	0.41
73_T	80_K	0.547	0.41
65_R	73_T	0.544	0.40
14_R	19_V	0.543	0.40
59_L	78_R	0.536	0.40
42_V	70_E	0.534	0.39
41_Q	68_A	0.531	0.39
36_P	44_K	0.528	0.39
74_E	78_R	0.528	0.39
31_K	67_K	0.526	0.39
4_S	9_H	0.520	0.38
11_Y	15_D	0.513	0.37
48_E	52_M	0.508	0.37
8_Q	65_R	0.500	0.36

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
1yd0A	1	0.9286	82.6	0.798	Contact Map
1yd6A	5	0.9286	81.1	0.801	Contact Map
2wshA	4	0.9881	75.1	0.812	Contact Map
1mk0A	1	0.9048	56.2	0.834	Contact Map
3oqgA	2	1	29.5	0.86	Contact Map
1zg2A	1	0.8214	17.3	0.874	Contact Map
1ywlA	1	0.869	12.3	0.882	Contact Map
4xlgA	1	0.7976	11.6	0.883	Contact Map
2lwfA	1	0.8929	6.1	0.898	Contact Map
3vn0A	2	0.5357	3.7	0.907	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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