T0866_1_183 - CASP12 - GREMLIN Contacts

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T0866_1_183 - T0866 1-183

ID:	7	Sequences: MQTKKNEIWVGIFLLAALLAALFVCLKAANVTSIRTEPTYTLYATFDNIGGLKARSPVSIGGVVVGRVADITLDPKTYLPRVTLEIEQRYNHIPDTSSLSIRTSGLLGEQYLALNVGFEDPELGTAILKDGDTIQDTKSAMVLEDLIGQFLYGSKGDDNKNSGDAPAAAPGNNETTEPVGTTK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	183 (158)
Sequences:	2983 (1609)
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
97_S	114_L	3.759	1.00
43_Y	81_R	3.364	1.00
45_T	81_R	3.171	1.00
70_D	83_T	2.929	1.00
72_T	83_T	2.758	1.00
46_F	101_I	2.732	1.00
129_K	132_D	2.679	1.00
41_T	83_T	2.606	1.00
43_Y	133_T	2.582	1.00
44_A	84_L	2.532	1.00
43_Y	83_T	2.526	1.00
84_L	112_L	2.490	1.00
74_D	81_R	2.432	1.00
72_T	81_R	2.216	1.00
69_A	85_E	2.152	1.00
99_L	114_L	2.131	1.00
38_P	88_Q	2.101	1.00
41_T	130_D	2.095	1.00
45_T	133_T	2.079	1.00
128_L	132_D	2.018	1.00
60_I	65_V	2.006	1.00
54_A	71_I	1.981	1.00
42_L	84_L	1.933	1.00
57_P	64_V	1.901	1.00
52_L	82_V	1.808	1.00
50_G	140_A	1.799	1.00
95_D	119_E	1.749	1.00
64_V	67_R	1.725	1.00
49_I	52_L	1.702	1.00
164_D	167_A	1.691	1.00
100_S	115_N	1.666	1.00
54_A	70_D	1.664	1.00
102_R	113_A	1.635	1.00
39_T	85_E	1.597	1.00
150_F	154_S	1.592	1.00
49_I	71_I	1.578	1.00
92_H	127_I	1.565	1.00
56_S	109_E	1.557	1.00
42_L	130_D	1.539	1.00
161_N	164_D	1.524	1.00
158_D	161_N	1.519	1.00
93_I	97_S	1.510	1.00
47_D	139_S	1.470	1.00
99_L	134_I	1.468	1.00
105_G	109_E	1.466	1.00
98_S	115_N	1.463	1.00
39_T	88_Q	1.377	1.00
45_T	79_L	1.363	1.00
160_K	164_D	1.339	1.00
52_L	71_I	1.312	1.00
142_V	145_D	1.304	1.00
56_S	68_V	1.304	1.00
96_T	117_G	1.299	1.00
98_S	138_K	1.271	1.00
94_P	97_S	1.266	1.00
41_T	69_A	1.232	1.00
46_F	82_V	1.225	1.00
40_Y	130_D	1.216	0.99
104_S	109_E	1.189	0.99
44_A	137_T	1.179	0.99
86_I	90_Y	1.150	0.99
84_L	99_L	1.136	0.99
13_F	24_V	1.135	0.99
22_L	26_L	1.132	0.99
8_I	12_I	1.110	0.99
96_T	119_E	1.092	0.99
59_S	64_V	1.091	0.99
50_G	110_Q	1.080	0.99
34_I	37_E	1.071	0.99
101_I	140_A	1.058	0.99
128_L	134_I	1.057	0.99
46_F	137_T	1.050	0.98
60_I	93_I	1.044	0.98
162_S	165_A	1.034	0.98
95_D	132_D	1.026	0.98
42_L	132_D	1.021	0.98
69_A	83_T	1.018	0.98
134_I	137_T	0.999	0.98
5_K	9_W	0.994	0.98
100_S	138_K	0.978	0.98
59_S	111_Y	0.977	0.98
151_L	155_K	0.967	0.97
110_Q	144_E	0.960	0.97
150_F	153_G	0.956	0.97
122_E	127_I	0.950	0.97
65_V	86_I	0.949	0.97
42_L	128_L	0.939	0.97
93_I	128_L	0.918	0.96
4_K	8_I	0.902	0.96
63_V	150_F	0.892	0.96
63_V	111_Y	0.888	0.96
69_A	84_L	0.887	0.96
95_D	122_E	0.886	0.96
59_S	104_S	0.883	0.96
7_E	10_V	0.870	0.95
96_T	118_F	0.862	0.95
148_G	152_Y	0.851	0.95
121_P	127_I	0.851	0.95
28_A	31_V	0.850	0.94
65_V	93_I	0.844	0.94
47_D	135_Q	0.841	0.94
71_I	80_P	0.824	0.94
57_P	104_S	0.824	0.94
71_I	82_V	0.819	0.93
14_L	18_L	0.819	0.93
99_L	112_L	0.814	0.93
162_S	166_P	0.813	0.93
40_Y	86_I	0.811	0.93
16_A	20_A	0.811	0.93
52_L	56_S	0.805	0.93
137_T	147_I	0.788	0.92
42_L	86_I	0.788	0.92
78_Y	127_I	0.783	0.92
49_I	82_V	0.776	0.91
19_L	22_L	0.772	0.91
25_C	30_N	0.767	0.91
23_F	28_A	0.761	0.91
10_V	13_F	0.753	0.90
21_A	107_L	0.748	0.90
103_T	106_L	0.747	0.90
47_D	137_T	0.738	0.89
101_I	112_L	0.737	0.89
98_S	117_G	0.729	0.89
52_L	148_G	0.724	0.88
93_I	102_R	0.720	0.88
55_R	67_R	0.718	0.88
94_P	107_L	0.716	0.88
161_N	167_A	0.714	0.88
141_M	149_Q	0.711	0.87
49_I	112_L	0.709	0.87
82_V	137_T	0.708	0.87
90_Y	93_I	0.704	0.87
45_T	74_D	0.695	0.86
7_E	11_G	0.695	0.86
163_G	166_P	0.691	0.86
25_C	29_A	0.689	0.86
94_P	116_V	0.688	0.86
26_L	32_T	0.687	0.85
60_I	116_V	0.687	0.85
44_A	136_D	0.682	0.85
108_G	111_Y	0.678	0.85
159_N	162_S	0.678	0.85
114_L	134_I	0.677	0.85
19_L	92_H	0.670	0.84
94_P	127_I	0.669	0.84
93_I	127_I	0.666	0.84
17_A	107_L	0.664	0.83
17_A	28_A	0.662	0.83
93_I	117_G	0.650	0.82
118_F	138_K	0.644	0.82
47_D	79_L	0.644	0.82
159_N	163_G	0.642	0.81
51_G	62_G	0.641	0.81
56_S	103_T	0.639	0.81
92_H	129_K	0.638	0.81
50_G	112_L	0.630	0.80
161_N	165_A	0.630	0.80
13_F	16_A	0.625	0.80
49_I	80_P	0.623	0.79
30_N	33_S	0.621	0.79
16_A	45_T	0.621	0.79
24_V	102_R	0.618	0.79
15_L	145_D	0.618	0.79
144_E	165_A	0.611	0.78
113_A	149_Q	0.610	0.78
4_K	76_K	0.608	0.78
11_G	15_L	0.605	0.77
20_A	24_V	0.604	0.77
140_A	150_F	0.604	0.77
99_L	137_T	0.598	0.77
71_I	104_S	0.598	0.77
19_L	75_P	0.596	0.76
154_S	157_D	0.592	0.76
111_Y	144_E	0.587	0.75
139_S	148_G	0.587	0.75
26_L	37_E	0.586	0.75
42_L	112_L	0.585	0.75
70_D	166_P	0.585	0.75
97_S	116_V	0.582	0.75
37_E	87_E	0.577	0.74
34_I	133_T	0.574	0.74
56_S	110_Q	0.570	0.73
12_I	74_D	0.569	0.73
49_I	110_Q	0.565	0.73
33_S	76_K	0.563	0.72
106_L	144_E	0.558	0.72
106_L	163_G	0.557	0.71
52_L	70_D	0.557	0.71
12_I	16_A	0.556	0.71
17_A	113_A	0.554	0.71
110_Q	134_I	0.552	0.71
62_G	66_G	0.551	0.71
12_I	67_R	0.550	0.71
73_L	107_L	0.549	0.70
159_N	165_A	0.549	0.70
41_T	76_K	0.547	0.70
104_S	111_Y	0.546	0.70
42_L	134_I	0.545	0.70
51_G	71_I	0.544	0.70
67_R	114_L	0.542	0.69
65_V	90_Y	0.542	0.69
56_S	143_L	0.540	0.69
104_S	147_I	0.540	0.69
42_L	129_K	0.537	0.69
98_S	136_D	0.535	0.68
157_D	162_S	0.533	0.68
73_L	108_G	0.533	0.68
30_N	145_D	0.532	0.68
56_S	105_G	0.530	0.68
41_T	85_E	0.529	0.68
17_A	57_P	0.529	0.68
6_N	99_L	0.527	0.67
85_E	130_D	0.525	0.67
145_D	149_Q	0.524	0.67
107_L	143_L	0.524	0.67
42_L	133_T	0.523	0.67
9_W	12_I	0.523	0.67
132_D	136_D	0.521	0.66
74_D	77_T	0.521	0.66
25_C	106_L	0.520	0.66
155_K	164_D	0.518	0.66
149_Q	154_S	0.518	0.66
5_K	18_L	0.517	0.66
50_G	113_A	0.517	0.66
23_F	27_K	0.514	0.65
23_F	33_S	0.512	0.65
18_L	109_E	0.512	0.65
93_I	108_G	0.509	0.65
94_P	141_M	0.509	0.65
49_I	100_S	0.509	0.65
51_G	110_Q	0.503	0.64
25_C	28_A	0.503	0.64
4_K	37_E	0.503	0.64
81_R	135_Q	0.501	0.63
127_I	133_T	0.501	0.63
95_D	136_D	0.501	0.63
60_I	80_P	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
1lpl_A	1	0.4973	17.8	0.934	Contact Map
1yew_A	1	0.9126	9.1	0.942	Contact Map
2lt1_A	1	0.3825	8.4	0.943	Contact Map
3hd7_A	1	0.1694	7.4	0.944	Contact Map
4phz_A	1	0.9454	7.3	0.944	Contact Map
2mc7_A	1	0.1639	5.4	0.948	Contact Map
1eg1_A	1	0.3716	5.3	0.948	Contact Map
3rdv_A	1	0.3825	5.1	0.948	Contact Map
2lx0_A	1	0.1749	3.9	0.951	Contact Map
2gs0_B	1	0.0765	3.8	0.951	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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