T0924_1_89 - CASP12 - GREMLIN Contacts

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T0924_1_89 - T0924 1-89

ID:	89	Sequences: GSHMESLIAQKTEESADARRKAELLQNEAKTLLAQANSKLQLLEDLERKYEDNQKYLEDKAQELVRLEGEVRSLLKDISEKVAVYSTCL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	89 (74)
Sequences:	229 (163)
Seq/√Len:	19.0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
50_Y	53_N	3.195	0.99
40_L	75_L	2.585	0.97
47_E	85_Y	2.543	0.97
24_L	27_N	2.239	0.94
77_D	81_K	2.088	0.92
78_I	88_C	2.000	0.90
29_A	32_L	1.967	0.89
23_E	26_Q	1.885	0.87
43_L	75_L	1.808	0.84
29_A	36_A	1.699	0.80
29_A	67_L	1.678	0.79
29_A	64_L	1.650	0.78
18_A	40_L	1.648	0.78
81_K	84_V	1.646	0.78
71_V	74_L	1.619	0.77
21_K	29_A	1.612	0.76
43_L	50_Y	1.534	0.73
78_I	85_Y	1.506	0.71
19_R	40_L	1.454	0.69
33_L	36_A	1.343	0.62
76_K	81_K	1.340	0.62
17_D	55_K	1.337	0.62
25_L	43_L	1.328	0.61
28_E	60_K	1.312	0.60
42_L	60_K	1.307	0.60
17_D	58_E	1.294	0.59
85_Y	88_C	1.273	0.58
25_L	32_L	1.142	0.50
39_K	47_E	1.135	0.49
61_A	70_E	1.098	0.47
58_E	81_K	1.098	0.47
52_D	56_Y	1.094	0.47
60_K	74_L	1.071	0.45
64_L	67_L	1.052	0.44
30_K	34_A	1.022	0.42
69_G	83_A	1.021	0.42
37_N	55_K	1.016	0.42
52_D	59_D	1.000	0.41
71_V	78_I	1.000	0.41
27_N	31_T	0.999	0.41
86_S	89_L	0.989	0.40
68_E	85_Y	0.975	0.39
26_Q	50_Y	0.972	0.39
26_Q	79_S	0.956	0.38
63_E	78_I	0.951	0.38
64_L	71_V	0.945	0.38
22_A	30_K	0.935	0.37
20_R	39_K	0.914	0.36
63_E	72_R	0.912	0.36
41_Q	55_K	0.904	0.35
64_L	81_K	0.896	0.35
62_Q	87_T	0.886	0.34
27_N	38_S	0.873	0.33
39_K	50_Y	0.867	0.33
27_N	37_N	0.866	0.33
22_A	82_V	0.856	0.32
27_N	42_L	0.847	0.32
70_E	79_S	0.846	0.32
46_L	82_V	0.843	0.32
22_A	25_L	0.836	0.31
44_E	80_E	0.799	0.29
58_E	65_V	0.795	0.29
79_S	86_S	0.768	0.28
20_R	34_A	0.762	0.27
68_E	87_T	0.755	0.27
55_K	73_S	0.748	0.27
32_L	46_L	0.730	0.26
52_D	73_S	0.729	0.26
26_Q	86_S	0.728	0.26
53_N	57_L	0.721	0.25
18_A	76_K	0.719	0.25
62_Q	66_R	0.718	0.25
32_L	67_L	0.718	0.25
36_A	57_L	0.716	0.25
59_D	62_Q	0.714	0.25
38_S	42_L	0.712	0.25
37_N	44_E	0.710	0.25
83_A	86_S	0.709	0.25
33_L	86_S	0.683	0.24
68_E	86_S	0.682	0.24
63_E	77_D	0.669	0.23
67_L	85_Y	0.663	0.23
75_L	82_V	0.648	0.22
38_S	66_R	0.642	0.22
25_L	29_A	0.638	0.22
33_L	46_L	0.636	0.22
48_R	62_Q	0.635	0.22
82_V	86_S	0.610	0.20
25_L	67_L	0.603	0.20
68_E	74_L	0.594	0.20
28_E	68_E	0.592	0.20
53_N	60_K	0.581	0.19
17_D	66_R	0.579	0.19
50_Y	56_Y	0.575	0.19
31_T	58_E	0.570	0.19
70_E	74_L	0.563	0.19
31_T	41_Q	0.550	0.18
16_A	44_E	0.549	0.18
24_L	31_T	0.547	0.18
46_L	60_K	0.542	0.18
65_V	81_K	0.538	0.18
20_R	24_L	0.530	0.17
24_L	76_K	0.528	0.17
39_K	75_L	0.527	0.17
62_Q	70_E	0.517	0.17
62_Q	69_G	0.514	0.17
62_Q	80_E	0.510	0.17
26_Q	29_A	0.510	0.17
41_Q	45_D	0.509	0.17
34_A	38_S	0.503	0.16
27_N	40_L	0.500	0.16

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
3c9i_A	1	1	83	0.735	Contact Map
4lin_A	1	1	74.9	0.754	Contact Map
5bu8_A	1	0.1573	74.8	0.755	Contact Map
4cgk_A	1	0.8315	73.5	0.757	Contact Map
1deq_A	1	0.9888	68.8	0.765	Contact Map
4q4g_X	1	0	67.7	0.766	Contact Map
1i84_S	1	0.0674	64.1	0.772	Contact Map
2dfs_A	1	0.8876	61.6	0.775	Contact Map
3ghg_A	1	0.9663	60.7	0.777	Contact Map
1lwu_C	1	0.764	56.9	0.782	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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