T0918_400-546_1_147 - CASP12 - GREMLIN Contacts

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T0918_400-546_1_147 - T0918_400-546 1-147

ID:	114	Sequences: EFNGYQIIPTVSGGLAQIQQRLMEALDKINKLPLNPMIEQATSTLSESQRTMKNLQTTLDSMNKILASQSMQQLPTDMQSTLRELNRSMQGFQPGSAAYNKMVADMQRLDQVLRELQPVLKTLNEKSNALVFEAKDKKDPEPKRAKQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	147 (128)
Sequences:	2019 (1448)
Seq/√Len:	128.0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
77_D	86_N	3.305	1.00
115_E	120_L	3.110	1.00
24_E	30_N	2.816	1.00
128_N	132_F	2.643	1.00
109_L	113_L	2.410	1.00
55_L	59_L	2.351	1.00
62_M	66_L	2.209	1.00
54_N	60_D	2.187	1.00
108_R	117_Q	2.164	1.00
48_S	51_T	2.145	1.00
98_A	102_M	2.074	1.00
77_D	83_R	1.974	1.00
78_M	82_L	1.966	1.00
47_E	53_K	1.930	1.00
54_N	59_L	1.860	1.00
55_L	58_T	1.851	1.00
122_T	129_A	1.718	1.00
101_K	110_D	1.697	1.00
58_T	62_M	1.694	1.00
116_L	120_L	1.688	1.00
48_S	52_M	1.684	1.00
86_N	90_Q	1.671	1.00
21_R	26_L	1.530	1.00
25_A	29_I	1.513	1.00
61_S	67_A	1.508	1.00
40_Q	45_L	1.493	1.00
122_T	126_K	1.492	1.00
63_N	69_Q	1.480	1.00
21_R	27_D	1.432	1.00
105_D	109_L	1.421	1.00
85_L	89_M	1.406	1.00
127_S	133_E	1.396	1.00
29_I	32_L	1.386	1.00
40_Q	46_S	1.363	1.00
65_I	68_S	1.346	1.00
50_R	56_Q	1.343	1.00
52_M	59_L	1.306	1.00
61_S	65_I	1.291	1.00
61_S	66_L	1.280	1.00
32_L	41_A	1.278	1.00
47_E	56_Q	1.277	1.00
25_A	30_N	1.266	1.00
115_E	121_K	1.261	1.00
63_N	67_A	1.233	1.00
105_D	110_D	1.230	1.00
16_A	19_Q	1.218	0.99
60_D	63_N	1.201	0.99
112_V	115_E	1.197	0.99
111_Q	117_Q	1.168	0.99
117_Q	120_L	1.167	0.99
101_K	107_Q	1.166	0.99
123_L	130_L	1.159	0.99
81_T	85_L	1.151	0.99
81_T	84_E	1.132	0.99
112_V	120_L	1.130	0.99
51_T	55_L	1.130	0.99
83_R	86_N	1.127	0.99
32_L	38_I	1.106	0.99
38_I	42_T	1.092	0.99
40_Q	49_Q	1.088	0.99
94_P	99_Y	1.082	0.99
53_K	57_T	1.073	0.99
75_P	81_T	1.068	0.99
47_E	51_T	1.063	0.99
65_I	70_S	1.050	0.98
40_Q	44_T	1.043	0.98
119_V	132_F	1.033	0.98
12_S	17_Q	1.029	0.98
126_K	134_A	1.028	0.98
73_Q	79_Q	1.028	0.98
61_S	70_S	1.006	0.98
17_Q	23_M	1.000	0.98
57_T	63_N	0.994	0.98
101_K	124_N	0.991	0.98
122_T	134_A	0.980	0.98
121_K	125_E	0.979	0.98
29_I	38_I	0.975	0.97
89_M	92_F	0.971	0.97
123_L	129_A	0.971	0.97
96_S	99_Y	0.969	0.97
94_P	100_N	0.962	0.97
51_T	54_N	0.959	0.97
98_A	105_D	0.956	0.97
39_E	43_S	0.954	0.97
49_Q	59_L	0.954	0.97
43_S	49_Q	0.949	0.97
24_E	28_K	0.949	0.97
108_R	114_R	0.948	0.97
110_D	113_L	0.946	0.97
23_M	32_L	0.928	0.97
127_S	130_L	0.909	0.96
119_V	130_L	0.907	0.96
63_N	66_L	0.899	0.96
59_L	62_M	0.892	0.96
124_N	134_A	0.871	0.95
49_Q	53_K	0.862	0.95
106_M	119_V	0.856	0.95
21_R	30_N	0.855	0.95
119_V	123_L	0.838	0.94
78_M	84_E	0.835	0.94
21_R	28_K	0.832	0.94
69_Q	75_P	0.828	0.94
108_R	113_L	0.823	0.93
54_N	57_T	0.810	0.93
103_V	108_R	0.809	0.93
28_K	38_I	0.800	0.92
62_M	65_I	0.795	0.92
14_G	19_Q	0.795	0.92
100_N	103_V	0.782	0.92
58_T	72_Q	0.772	0.91
31_K	81_T	0.762	0.91
18_I	22_L	0.756	0.90
22_L	44_T	0.750	0.90
44_T	48_S	0.737	0.89
118_P	124_N	0.726	0.88
126_K	129_A	0.726	0.88
41_A	45_L	0.726	0.88
10_T	22_L	0.715	0.88
92_F	98_A	0.711	0.87
129_A	132_F	0.707	0.87
50_R	57_T	0.700	0.86
112_V	116_L	0.695	0.86
67_A	70_S	0.690	0.86
127_S	131_V	0.687	0.85
115_E	122_T	0.674	0.84
49_Q	62_M	0.673	0.84
128_N	134_A	0.673	0.84
77_D	80_S	0.670	0.84
79_Q	83_R	0.663	0.83
58_T	68_S	0.659	0.83
111_Q	119_V	0.657	0.83
39_E	42_T	0.655	0.83
73_Q	76_T	0.655	0.83
84_E	88_S	0.653	0.82
66_L	85_L	0.650	0.82
26_L	29_I	0.641	0.81
127_S	132_F	0.639	0.81
22_L	28_K	0.637	0.81
40_Q	43_S	0.635	0.81
80_S	86_N	0.635	0.81
49_Q	52_M	0.632	0.80
92_F	99_Y	0.629	0.80
23_M	116_L	0.629	0.80
99_Y	102_M	0.624	0.80
119_V	134_A	0.620	0.79
24_E	27_D	0.618	0.79
47_E	52_M	0.615	0.79
3_N	7_I	0.614	0.78
17_Q	45_L	0.612	0.78
84_E	90_Q	0.612	0.78
76_T	80_S	0.606	0.78
122_T	125_E	0.606	0.78
38_I	46_S	0.602	0.77
31_K	39_E	0.597	0.76
51_T	57_T	0.595	0.76
7_I	85_L	0.594	0.76
116_L	122_T	0.583	0.75
74_L	77_D	0.576	0.74
7_I	10_T	0.572	0.73
31_K	53_K	0.570	0.73
26_L	118_P	0.568	0.73
102_M	106_M	0.561	0.72
113_L	122_T	0.559	0.72
22_L	26_L	0.554	0.71
42_T	46_S	0.547	0.70
117_Q	121_K	0.546	0.70
101_K	125_E	0.543	0.70
41_A	50_R	0.540	0.69
28_K	43_S	0.540	0.69
59_L	63_N	0.538	0.69
18_I	118_P	0.537	0.69
25_A	117_Q	0.531	0.68
105_D	113_L	0.528	0.67
55_L	69_Q	0.523	0.67
58_T	65_I	0.523	0.67
85_L	88_S	0.520	0.66
32_L	51_T	0.519	0.66
28_K	114_R	0.517	0.66
32_L	109_L	0.516	0.66
114_R	121_K	0.516	0.66
14_G	22_L	0.514	0.65
17_Q	74_L	0.511	0.65
125_E	134_A	0.511	0.65
23_M	108_R	0.510	0.65
13_G	32_L	0.509	0.65
43_S	125_E	0.509	0.65
18_I	51_T	0.509	0.65
11_V	108_R	0.507	0.64
93_Q	114_R	0.506	0.64
27_D	30_N	0.505	0.64
14_G	26_L	0.503	0.64
5_Y	20_Q	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
2ch7_A	1	0.8231	69	0.847	Contact Map
3zx6_A	1	0.7959	54.8	0.86	Contact Map
1qu7_A	1	0.8095	49	0.865	Contact Map
4hpq_C	1	0.8231	36.1	0.875	Contact Map
1tr2_A	1	0.7755	32.1	0.878	Contact Map
2ieq_A	1	0.5918	26.3	0.883	Contact Map
4i3m_A	1	0.7007	25.9	0.884	Contact Map
1io1_A	1	0.6667	20.3	0.889	Contact Map
3rf3_A	1	0.7687	19.7	0.89	Contact Map
3v47_C	1	0.6122	17.2	0.893	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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