T0865_1_75 - CASP12 - GREMLIN Contacts

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T0865_1_75 - T0865 1-75

ID:	6	Sequences: GHMEGKPKMEPAASSQAAVEELRTQVRELRSIIETMKDQQKREIKQLLSELDEEKKIRLRLQMEVNDIKKALQSK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	75 (71)
Sequences:	114 (78)
Seq/√Len:	9.3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
64_E	69_K	3.783	0.98
54_E	58_R	2.554	0.83
36_M	50_E	2.391	0.78
72_L	75_K	2.376	0.78
20_E	23_R	2.237	0.73
64_E	70_K	2.090	0.68
6_K	10_E	1.861	0.58
64_E	68_I	1.772	0.54
4_E	10_E	1.768	0.54
4_E	7_P	1.723	0.52
63_M	75_K	1.646	0.49
51_L	61_L	1.643	0.49
29_L	53_E	1.638	0.48
8_K	42_R	1.622	0.48
43_E	51_L	1.581	0.46
5_G	9_M	1.572	0.45
65_V	68_I	1.484	0.42
60_R	65_V	1.345	0.36
68_I	75_K	1.308	0.34
68_I	72_L	1.234	0.31
40_Q	52_D	1.208	0.30
39_Q	62_Q	1.206	0.30
10_E	13_A	1.164	0.29
50_E	58_R	1.154	0.28
4_E	9_M	1.151	0.28
49_S	60_R	1.144	0.28
51_L	54_E	1.144	0.28
11_P	50_E	1.125	0.27
42_R	74_S	1.094	0.26
17_A	34_E	1.063	0.25
20_E	28_E	1.058	0.25
39_Q	43_E	1.039	0.25
42_R	48_L	1.030	0.24
46_Q	68_I	1.021	0.24
21_E	25_Q	1.013	0.24
35_T	38_D	1.001	0.23
19_V	26_V	0.999	0.23
66_N	69_K	0.995	0.23
4_E	8_K	0.993	0.23
25_Q	29_L	0.986	0.23
5_G	14_S	0.985	0.23
45_K	49_S	0.985	0.23
45_K	72_L	0.960	0.22
63_M	71_A	0.958	0.22
7_P	13_A	0.954	0.22
55_K	58_R	0.953	0.22
29_L	34_E	0.939	0.21
9_M	14_S	0.933	0.21
9_M	24_T	0.922	0.21
46_Q	57_I	0.912	0.21
35_T	62_Q	0.908	0.20
36_M	41_K	0.907	0.20
43_E	61_L	0.903	0.20
64_E	67_D	0.874	0.20
32_I	35_T	0.864	0.19
22_L	55_K	0.861	0.19
38_D	49_S	0.860	0.19
22_L	53_E	0.856	0.19
41_K	62_Q	0.849	0.19
39_Q	57_I	0.844	0.19
40_Q	60_R	0.815	0.18
19_V	34_E	0.812	0.18
35_T	39_Q	0.804	0.18
33_I	61_L	0.804	0.18
7_P	10_E	0.780	0.17
5_G	8_K	0.776	0.17
42_R	58_R	0.750	0.16
53_E	58_R	0.750	0.16
66_N	70_K	0.748	0.16
29_L	42_R	0.708	0.15
36_M	57_I	0.706	0.15
35_T	60_R	0.695	0.15
65_V	69_K	0.688	0.15
24_T	56_K	0.682	0.15
63_M	73_Q	0.662	0.14
44_I	56_K	0.657	0.14
29_L	58_R	0.657	0.14
52_D	59_L	0.654	0.14
52_D	62_Q	0.647	0.14
45_K	56_K	0.629	0.14
36_M	62_Q	0.624	0.13
14_S	24_T	0.595	0.13
13_A	44_I	0.584	0.13
47_L	52_D	0.568	0.12
30_R	67_D	0.563	0.12
31_S	35_T	0.561	0.12
20_E	25_Q	0.560	0.12
19_V	75_K	0.559	0.12
27_R	31_S	0.553	0.12
9_M	17_A	0.550	0.12
33_I	72_L	0.549	0.12
29_L	63_M	0.548	0.12
41_K	46_Q	0.548	0.12
46_Q	60_R	0.545	0.12
43_E	58_R	0.540	0.12
22_L	54_E	0.539	0.12
38_D	60_R	0.537	0.12
7_P	14_S	0.531	0.12
7_P	12_A	0.530	0.12
28_E	34_E	0.518	0.11
28_E	35_T	0.510	0.11
28_E	33_I	0.510	0.11
10_E	55_K	0.508	0.11
8_K	14_S	0.502	0.11
9_M	13_A	0.501	0.11
25_Q	43_E	0.500	0.11

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
4etp_A	1	0.76	61.2	0.808	Contact Map
4etp_B	1	0.7467	57.4	0.813	Contact Map
3i00_A	1	0.8267	52.6	0.818	Contact Map
2eqb_B	1	0.7333	52.4	0.819	Contact Map
3u06_A	1	0.7733	44.9	0.826	Contact Map
3uf1_A	1	0.8667	42.8	0.828	Contact Map
3qpr_A	1	0	40.8	0.831	Contact Map
5cj0_A	1	0.8933	40.1	0.831	Contact Map
4x01_A	1	0.6533	36.1	0.835	Contact Map
2dfs_A	1	0.9867	36.1	0.835	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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