T0936_1_125 - CASP12 - GREMLIN Contacts

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T0936_1_125 - T0936 1-125

ID:	104	Sequences: ADPIDVAMRQCLARRDRSSTAGQIQCMDEARQQWQGEVDAAYQRLVKTAPADARRGWQESQRRWLAWRKDEAHLVRAVYETTQGTMYAMASADMRLQPVRERALALRGAADRYAQPGGGKGAVHR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	125 (103)
Sequences:	1736 (1302)
Seq/√Len:	128.3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
72_A	94_M	4.945	1.00
11_C	26_C	3.483	1.00
37_E	107_R	3.269	1.00
19_S	22_G	2.682	1.00
71_E	98_P	2.424	1.00
58_Q	62_R	2.303	1.00
41_A	103_A	1.999	1.00
46_V	58_Q	1.956	1.00
34_W	96_L	1.907	1.00
20_T	85_T	1.798	1.00
63_R	70_D	1.760	1.00
79_Y	90_A	1.678	1.00
86_M	90_A	1.649	1.00
76_R	87_Y	1.640	1.00
39_D	65_L	1.625	1.00
46_V	54_R	1.569	1.00
30_A	96_L	1.560	1.00
23_Q	89_M	1.556	1.00
67_W	71_E	1.535	1.00
31_R	95_R	1.502	1.00
34_W	103_A	1.471	1.00
63_R	66_A	1.458	1.00
101_E	105_A	1.442	1.00
71_E	75_V	1.306	1.00
39_D	42_Y	1.255	1.00
97_Q	101_E	1.253	1.00
72_A	99_V	1.248	1.00
18_S	22_G	1.243	1.00
20_T	89_M	1.233	1.00
20_T	24_I	1.222	0.99
42_Y	58_Q	1.189	0.99
24_I	89_M	1.167	0.99
25_Q	29_E	1.165	0.99
40_A	44_R	1.143	0.99
62_R	65_L	1.142	0.99
20_T	84_G	1.138	0.99
34_W	37_E	1.134	0.99
60_S	67_W	1.131	0.99
76_R	91_S	1.121	0.99
41_A	107_R	1.117	0.99
41_A	110_A	1.112	0.99
28_D	32_Q	1.094	0.99
65_L	68_R	1.094	0.99
41_A	106_L	1.079	0.99
43_Q	47_K	1.077	0.99
36_G	40_A	1.066	0.99
42_Y	65_L	1.053	0.98
68_R	99_V	1.053	0.98
35_Q	62_R	1.040	0.98
35_Q	65_L	1.038	0.98
67_W	105_A	1.033	0.98
35_Q	39_D	1.027	0.98
50_P	54_R	1.027	0.98
45_L	110_A	1.016	0.98
66_A	70_D	1.012	0.98
31_R	99_V	1.004	0.98
79_Y	86_M	0.992	0.98
37_E	41_A	0.991	0.98
77_A	80_E	0.989	0.98
39_D	62_R	0.964	0.97
55_R	58_Q	0.962	0.97
32_Q	36_G	0.950	0.97
24_I	92_A	0.944	0.97
100_R	104_L	0.934	0.97
13_A	18_S	0.927	0.97
5_D	8_M	0.924	0.97
35_Q	99_V	0.915	0.96
93_D	97_Q	0.911	0.96
96_L	100_R	0.899	0.96
35_Q	68_R	0.892	0.96
55_R	59_E	0.887	0.96
61_Q	64_W	0.883	0.96
61_Q	102_R	0.873	0.95
27_M	92_A	0.870	0.95
60_S	71_E	0.852	0.95
102_R	105_A	0.845	0.94
34_W	104_L	0.844	0.94
30_A	34_W	0.832	0.94
19_S	86_M	0.830	0.94
38_V	65_L	0.821	0.93
20_T	23_Q	0.817	0.93
12_L	22_G	0.817	0.93
14_R	18_S	0.805	0.93
67_W	98_P	0.804	0.93
94_M	99_V	0.790	0.92
37_E	100_R	0.780	0.92
65_L	69_K	0.773	0.91
26_C	94_M	0.773	0.91
35_Q	38_V	0.766	0.91
5_D	34_W	0.749	0.90
81_T	87_Y	0.747	0.90
41_A	45_L	0.746	0.90
34_W	99_V	0.740	0.89
56_G	77_A	0.740	0.89
71_E	102_R	0.730	0.89
91_S	95_R	0.729	0.89
86_M	89_M	0.728	0.89
42_Y	57_W	0.727	0.88
35_Q	42_Y	0.724	0.88
80_E	90_A	0.723	0.88
75_V	97_Q	0.721	0.88
8_M	12_L	0.720	0.88
44_R	110_A	0.718	0.88
104_L	108_G	0.716	0.88
34_W	100_R	0.714	0.88
60_S	102_R	0.709	0.87
67_W	74_L	0.701	0.87
73_H	91_S	0.700	0.87
71_E	109_A	0.696	0.86
26_C	72_A	0.689	0.86
27_M	96_L	0.689	0.86
9_R	13_A	0.687	0.86
42_Y	61_Q	0.684	0.85
23_Q	84_G	0.681	0.85
54_R	58_Q	0.675	0.85
59_E	63_R	0.674	0.84
79_Y	87_Y	0.666	0.84
43_Q	46_V	0.658	0.83
21_A	25_Q	0.657	0.83
53_A	77_A	0.649	0.82
24_I	88_A	0.646	0.82
37_E	40_A	0.639	0.81
100_R	103_A	0.624	0.80
35_Q	58_Q	0.623	0.79
59_E	70_D	0.618	0.79
58_Q	65_L	0.608	0.78
45_L	48_T	0.602	0.77
57_W	74_L	0.593	0.76
42_Y	64_W	0.592	0.76
45_L	106_L	0.588	0.75
48_T	110_A	0.584	0.75
42_Y	62_R	0.580	0.75
28_D	92_A	0.575	0.74
29_E	36_G	0.566	0.73
52_D	80_E	0.562	0.72
49_A	53_A	0.558	0.72
8_M	30_A	0.555	0.71
31_R	96_L	0.552	0.71
14_R	23_Q	0.552	0.71
59_E	73_H	0.541	0.69
103_A	107_R	0.539	0.69
43_Q	70_D	0.533	0.68
35_Q	57_W	0.533	0.68
33_Q	36_G	0.531	0.68
38_V	61_Q	0.526	0.67
60_S	109_A	0.526	0.67
14_R	22_G	0.520	0.66
47_K	50_P	0.516	0.66
42_Y	46_V	0.513	0.65
20_T	86_M	0.505	0.64
10_Q	14_R	0.505	0.64
29_E	33_Q	0.504	0.64
66_A	91_S	0.502	0.64
59_E	66_A	0.500	0.63

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
3gi7_A	1	0.768	99.9	0.256	Contact Map
4noo_B	1	0.76	65	0.859	Contact Map
4nso_B	1	0.752	56	0.867	Contact Map
2ej7_A	1	0.568	4.8	0.921	Contact Map
2cug_A	1	0.632	4.3	0.923	Contact Map
5bqm_B	1	0.296	4.2	0.923	Contact Map
1sb0_B	1	0.2	3.9	0.925	Contact Map
2ctp_A	1	0.576	3.8	0.925	Contact Map
2dn9_A	1	0.576	3.7	0.925	Contact Map
1wjz_A	1	0.624	2.2	0.933	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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