T0875_1_122 - CASP12 - GREMLIN Contacts

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T0875_1_122 - T0875 1-122

ID:	14	Sequences: PDIELVYKNRGFYKHYGIRIGDQIYHLNSQDILTTAITGKSEFIKEQDDGNWTHAMTAPLDYFTEKYVNSMVGSKHIFSCTTNCETIARDIFPGQSGISQSKALGIVGLILLSASLLSLLAV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	122 (108)
Sequences:	1767 (1206)
Seq/√Len:	116.0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
5_L	16_Y	5.530	1.00
18_I	88_A	3.887	1.00
85_E	100_Q	3.165	1.00
60_L	68_V	3.051	1.00
65_E	92_F	2.801	1.00
23_Q	45_K	2.659	1.00
68_V	90_D	2.602	1.00
10_R	13_Y	2.571	1.00
72_V	75_K	2.505	1.00
45_K	70_S	2.090	1.00
62_Y	66_K	1.996	1.00
46_E	51_N	1.769	1.00
86_T	98_I	1.757	1.00
2_D	66_K	1.748	1.00
20_I	70_S	1.741	1.00
59_P	92_F	1.731	1.00
87_I	91_I	1.644	1.00
18_I	65_E	1.550	1.00
20_I	25_Y	1.542	1.00
97_G	102_K	1.505	1.00
78_F	84_C	1.494	1.00
16_Y	85_E	1.492	1.00
64_T	67_Y	1.484	1.00
9_N	13_Y	1.455	1.00
72_V	90_D	1.453	1.00
89_R	93_P	1.435	1.00
8_K	17_G	1.404	1.00
83_N	100_Q	1.395	1.00
43_F	51_N	1.328	1.00
7_Y	14_K	1.325	1.00
60_L	64_T	1.277	0.99
47_Q	50_G	1.235	0.99
27_L	75_K	1.229	0.99
84_C	100_Q	1.218	0.99
69_N	74_S	1.197	0.99
2_D	63_F	1.195	0.99
23_Q	47_Q	1.188	0.99
15_H	84_C	1.174	0.99
66_K	69_N	1.166	0.99
71_M	90_D	1.162	0.99
48_D	51_N	1.136	0.99
69_N	91_I	1.121	0.99
27_L	77_I	1.092	0.98
20_I	45_K	1.081	0.98
69_N	73_G	1.068	0.98
82_T	96_S	1.040	0.98
101_S	104_L	1.032	0.98
78_F	83_N	1.026	0.97
15_H	83_N	1.023	0.97
3_I	19_R	1.019	0.97
17_G	51_N	0.994	0.97
41_S	45_K	0.988	0.97
4_E	65_E	0.975	0.97
52_W	56_M	0.969	0.96
1_P	4_E	0.965	0.96
75_K	82_T	0.961	0.96
38_T	41_S	0.960	0.96
44_I	48_D	0.952	0.96
9_N	14_K	0.948	0.96
47_Q	51_N	0.924	0.95
43_F	48_D	0.915	0.95
16_Y	89_R	0.908	0.95
6_V	24_I	0.907	0.95
4_E	92_F	0.899	0.95
43_F	46_E	0.880	0.94
53_T	56_M	0.879	0.94
42_E	47_Q	0.867	0.94
104_L	108_G	0.858	0.93
19_R	22_D	0.856	0.93
25_Y	69_N	0.845	0.93
4_E	62_Y	0.844	0.93
41_S	44_I	0.826	0.92
72_V	96_S	0.825	0.92
59_P	65_E	0.819	0.91
60_L	66_K	0.812	0.91
68_V	73_G	0.806	0.91
20_I	66_K	0.805	0.91
83_N	86_T	0.797	0.90
40_K	46_E	0.797	0.90
61_D	65_E	0.786	0.90
65_E	68_V	0.786	0.90
74_S	78_F	0.777	0.89
38_T	46_E	0.759	0.88
83_N	98_I	0.759	0.88
49_D	55_A	0.755	0.88
17_G	43_F	0.754	0.88
35_T	41_S	0.751	0.87
62_Y	107_V	0.748	0.87
7_Y	16_Y	0.742	0.87
95_Q	99_S	0.740	0.87
58_A	62_Y	0.738	0.87
41_S	46_E	0.728	0.86
27_L	82_T	0.726	0.86
7_Y	55_A	0.722	0.85
88_A	93_P	0.720	0.85
78_F	82_T	0.714	0.85
99_S	102_K	0.712	0.85
67_Y	71_M	0.706	0.84
52_W	55_A	0.696	0.83
25_Y	45_K	0.678	0.82
98_I	101_S	0.676	0.81
85_E	98_I	0.674	0.81
66_K	70_S	0.671	0.81
26_H	46_E	0.658	0.80
79_S	91_I	0.658	0.80
79_S	92_F	0.657	0.80
25_Y	70_S	0.655	0.79
11_G	107_V	0.655	0.79
5_L	91_I	0.654	0.79
2_D	19_R	0.652	0.79
24_I	27_L	0.650	0.79
19_R	23_Q	0.646	0.78
62_Y	65_E	0.640	0.78
69_N	87_I	0.639	0.78
53_T	58_A	0.630	0.77
104_L	107_V	0.628	0.76
65_E	69_N	0.627	0.76
56_M	59_P	0.626	0.76
42_E	46_E	0.625	0.76
18_I	92_F	0.623	0.76
68_V	72_V	0.622	0.76
22_D	79_S	0.618	0.75
7_Y	17_G	0.609	0.74
31_D	41_S	0.607	0.74
12_F	106_I	0.607	0.74
49_D	67_Y	0.606	0.74
42_E	50_G	0.605	0.74
6_V	59_P	0.600	0.73
59_P	93_P	0.587	0.72
96_S	102_K	0.579	0.70
75_K	96_S	0.577	0.70
34_T	39_G	0.568	0.69
6_V	19_R	0.565	0.69
88_A	92_F	0.564	0.69
40_K	48_D	0.563	0.68
28_N	103_A	0.556	0.67
35_T	40_K	0.554	0.67
77_I	104_L	0.548	0.66
78_F	87_I	0.545	0.66
5_L	14_K	0.544	0.66
14_K	29_S	0.543	0.66
89_R	99_S	0.540	0.65
18_I	62_Y	0.538	0.65
4_E	88_A	0.537	0.65
105_G	108_G	0.536	0.65
30_Q	76_H	0.525	0.63
16_Y	20_I	0.521	0.62
6_V	48_D	0.520	0.62
67_Y	103_A	0.518	0.62
89_R	92_F	0.516	0.62
17_G	24_I	0.512	0.61
1_P	6_V	0.512	0.61
7_Y	93_P	0.510	0.61
45_K	48_D	0.509	0.61
82_T	90_D	0.508	0.61
90_D	96_S	0.505	0.60
19_R	48_D	0.504	0.60
51_N	56_M	0.503	0.60
17_G	46_E	0.503	0.60
59_P	63_F	0.502	0.60
67_Y	70_S	0.502	0.60
5_L	19_R	0.500	0.59

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
4q95_A	1	0.8689	99.9	0.305	Contact Map
4dot_A	1	0.7049	99.9	0.336	Contact Map
4dpz_X	1	0.7295	99.9	0.343	Contact Map
2lkt_A	1	0.7869	99.9	0.356	Contact Map
4q4g_X	1	0.4426	96.2	0.805	Contact Map
2im9_A	1	0.5738	96	0.808	Contact Map
4q68_A	1	0.4836	95.7	0.812	Contact Map
2if6_A	1	0.8361	94.9	0.822	Contact Map
2p1g_A	1	0.4672	94.5	0.825	Contact Map
3kw0_A	1	0.8525	94.5	0.826	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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