T0891_1_130 - CASP12 - GREMLIN Contacts

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T0891_1_130 - T0891 1-130

ID:	42	Sequences: ENMAVQSPKKHVFDAVIKAYKDNSDEESYATVYIKDPKLTIENGKRIITATLKDSDFFDYLKVEDSKEPGVFHDVKVLSEDKRKHGTKVIQFEVGELGKRYNMQMHILIPTLGYDKEFKIQFEVNMRTFV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	130 (118)
Sequences:	1200 (934)
Seq/√Len:	86.0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
45_K	93_E	4.674	1.00
49_T	91_Q	3.077	1.00
21_K	26_E	3.014	1.00
21_K	24_S	2.714	1.00
47_I	91_Q	2.670	1.00
108_L	115_D	2.469	1.00
16_V	128_T	2.434	1.00
31_T	36_D	2.402	1.00
40_T	49_T	2.321	1.00
25_D	121_Q	2.296	1.00
8_P	11_H	2.191	1.00
11_H	41_I	2.162	1.00
23_N	121_Q	2.036	1.00
19_A	120_I	2.020	1.00
64_E	102_N	1.901	1.00
100_R	123_E	1.888	1.00
30_A	105_M	1.885	1.00
47_I	93_E	1.823	1.00
106_H	117_E	1.784	1.00
106_H	115_D	1.770	1.00
12_V	38_K	1.708	1.00
24_S	121_Q	1.645	1.00
20_Y	123_E	1.629	1.00
13_F	41_I	1.602	1.00
54_D	57_F	1.570	1.00
48_I	124_V	1.566	1.00
22_D	121_Q	1.559	1.00
114_Y	118_F	1.528	1.00
17_I	124_V	1.490	0.99
76_K	91_Q	1.434	0.99
96_E	99_K	1.426	0.99
109_I	112_L	1.417	0.99
100_R	121_Q	1.355	0.99
8_P	41_I	1.337	0.99
49_T	89_V	1.337	0.99
103_M	120_I	1.314	0.99
18_K	27_E	1.304	0.99
17_I	34_I	1.259	0.98
12_V	40_T	1.245	0.98
22_D	119_K	1.231	0.98
51_T	89_V	1.229	0.98
78_L	91_Q	1.226	0.98
30_A	34_I	1.195	0.97
62_K	104_Q	1.195	0.97
81_D	84_K	1.174	0.97
35_K	53_K	1.145	0.97
15_A	39_L	1.125	0.96
20_Y	121_Q	1.110	0.96
104_Q	119_K	1.109	0.96
125_N	128_T	1.099	0.96
10_K	41_I	1.070	0.95
65_D	69_P	1.061	0.95
29_Y	32_V	1.057	0.95
27_E	31_T	1.052	0.95
21_K	29_Y	1.049	0.95
74_D	77_V	1.043	0.94
14_D	76_K	0.995	0.93
63_V	92_F	0.977	0.92
14_D	38_K	0.953	0.91
50_A	92_F	0.941	0.91
46_R	122_F	0.940	0.91
62_K	74_D	0.939	0.91
35_K	87_T	0.931	0.90
41_I	46_R	0.929	0.90
97_L	126_M	0.920	0.90
106_H	116_K	0.900	0.89
57_F	109_I	0.892	0.88
17_I	37_P	0.879	0.88
105_M	120_I	0.876	0.87
65_D	70_G	0.872	0.87
31_T	37_P	0.867	0.87
52_L	58_F	0.859	0.86
61_L	103_M	0.853	0.86
107_I	118_F	0.852	0.86
30_A	120_I	0.852	0.86
40_T	91_Q	0.850	0.86
110_P	115_D	0.850	0.86
92_F	101_Y	0.843	0.85
38_K	49_T	0.830	0.84
64_E	70_G	0.830	0.84
19_A	36_D	0.826	0.84
77_V	80_E	0.822	0.84
39_L	94_V	0.816	0.83
21_K	28_S	0.813	0.83
33_Y	52_L	0.811	0.83
15_A	41_I	0.803	0.82
8_P	39_L	0.790	0.81
107_I	112_L	0.783	0.81
81_D	87_T	0.779	0.81
39_L	46_R	0.775	0.80
108_L	111_T	0.771	0.80
20_Y	25_D	0.767	0.79
33_Y	55_S	0.764	0.79
29_Y	107_I	0.760	0.79
112_L	118_F	0.759	0.79
21_K	121_Q	0.758	0.79
79_S	89_V	0.754	0.78
29_Y	105_M	0.750	0.78
18_K	100_R	0.750	0.78
19_A	124_V	0.750	0.78
15_A	124_V	0.745	0.77
48_I	94_V	0.743	0.77
25_D	100_R	0.741	0.77
10_K	13_F	0.730	0.76
41_I	44_G	0.727	0.76
72_F	104_Q	0.724	0.75
25_D	128_T	0.720	0.75
18_K	89_V	0.711	0.74
106_H	113_G	0.704	0.73
19_A	122_F	0.701	0.73
33_Y	110_P	0.695	0.72
60_Y	74_D	0.689	0.72
57_F	107_I	0.681	0.71
22_D	26_E	0.672	0.70
38_K	45_K	0.662	0.69
59_D	103_M	0.655	0.68
34_I	58_F	0.652	0.68
24_S	77_V	0.650	0.67
85_H	92_F	0.645	0.67
59_D	115_D	0.645	0.67
29_Y	118_F	0.644	0.67
62_K	72_F	0.644	0.67
18_K	125_N	0.644	0.67
33_Y	87_T	0.637	0.66
30_A	109_I	0.635	0.66
9_K	14_D	0.622	0.64
14_D	37_P	0.620	0.64
17_I	35_K	0.615	0.63
34_I	116_K	0.606	0.62
15_A	48_I	0.600	0.61
33_Y	61_L	0.590	0.60
20_Y	27_E	0.587	0.60
14_D	101_Y	0.586	0.59
104_Q	117_E	0.583	0.59
39_L	82_K	0.583	0.59
56_D	85_H	0.582	0.59
109_I	116_K	0.578	0.58
120_I	126_M	0.578	0.58
101_Y	124_V	0.575	0.58
51_T	88_K	0.574	0.58
14_D	128_T	0.573	0.58
23_N	26_E	0.569	0.57
116_K	119_K	0.562	0.56
34_I	50_A	0.558	0.56
77_V	88_K	0.555	0.55
10_K	43_N	0.552	0.55
90_I	105_M	0.552	0.55
98_G	126_M	0.552	0.55
48_I	92_F	0.552	0.55
18_K	123_E	0.545	0.54
69_P	101_Y	0.542	0.54
77_V	81_D	0.540	0.53
59_D	108_L	0.540	0.53
116_K	120_I	0.540	0.53
34_I	52_L	0.539	0.53
71_V	95_G	0.531	0.52
33_Y	114_Y	0.528	0.52
22_D	120_I	0.521	0.51
92_F	103_M	0.520	0.51
16_V	36_D	0.518	0.50
80_E	97_L	0.517	0.50
101_Y	104_Q	0.516	0.50
54_D	110_P	0.516	0.50
84_K	87_T	0.515	0.50
27_E	33_Y	0.515	0.50
46_R	94_V	0.515	0.50
19_A	50_A	0.514	0.50
8_P	13_F	0.514	0.50
39_L	55_S	0.512	0.50
35_K	54_D	0.510	0.49
77_V	83_R	0.510	0.49
46_R	99_K	0.509	0.49
9_K	12_V	0.506	0.49
54_D	114_Y	0.506	0.49
115_D	118_F	0.503	0.48
80_E	84_K	0.502	0.48
79_S	99_K	0.500	0.48

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
4h8q_A	1	0.9077	100	0.054	Contact Map
3sz6_A	1	0.8846	99.9	0.095	Contact Map
4myp_A	1	0.9077	99.9	0.102	Contact Map
2o1a_A	1	0.9	99.9	0.107	Contact Map
3qzm_A	1	0.9231	99.9	0.138	Contact Map
2k78_A	1	0.9	99.9	0.15	Contact Map
3qug_A	1	0.8615	99.9	0.151	Contact Map
2o6p_A	1	0.8769	99.9	0.165	Contact Map
4xs0_C	1	0.9077	99.9	0.165	Contact Map
3rtl_A	1	0.8692	99.9	0.166	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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