T0882_1_89 - CASP12 - GREMLIN Contacts

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T0882_1_89 - T0882 1-89

ID:	28	Sequences: SMTSRPKLRILNVSNKGDRVVECQLETHNRKMVTFKFDLDGDNPEEIATIMVNNDFILAIERESFVDQVREIIEKADEMLSEDVSVEPE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	89 (86)
Sequences:	116 (59)
Seq/√Len:	6.4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
34_T	44_P	2.580	0.69
34_T	48_A	2.528	0.67
28_H	76_A	2.307	0.60
7_K	10_I	2.171	0.55
66_V	69_V	2.037	0.50
69_V	76_A	2.012	0.49
8_L	36_K	1.992	0.48
29_N	42_D	1.963	0.47
17_G	26_E	1.957	0.47
29_N	41_G	1.921	0.46
27_T	40_D	1.901	0.45
59_A	78_E	1.825	0.42
23_C	35_F	1.817	0.42
29_N	32_M	1.773	0.40
56_F	61_E	1.695	0.38
64_S	67_D	1.677	0.37
12_N	82_E	1.652	0.36
74_E	78_E	1.640	0.36
32_M	41_G	1.594	0.34
9_R	21_V	1.583	0.34
2_M	7_K	1.529	0.32
23_C	37_F	1.510	0.31
13_V	49_T	1.480	0.30
33_V	48_A	1.426	0.29
80_L	83_D	1.378	0.27
41_G	56_F	1.331	0.26
27_T	42_D	1.290	0.25
14_S	19_R	1.263	0.24
74_E	85_S	1.243	0.24
46_E	69_V	1.202	0.23
4_S	84_V	1.199	0.23
42_D	47_I	1.191	0.22
57_I	77_D	1.175	0.22
7_K	21_V	1.166	0.22
31_K	38_D	1.160	0.22
58_L	61_E	1.132	0.21
3_T	6_P	1.113	0.20
74_E	82_E	1.098	0.20
75_K	84_V	1.098	0.20
2_M	11_L	1.086	0.20
26_E	67_D	1.053	0.19
29_N	39_L	1.048	0.19
35_F	44_P	1.039	0.19
4_S	85_S	1.025	0.18
4_S	10_I	1.005	0.18
47_I	51_M	0.984	0.17
56_F	77_D	0.980	0.17
27_T	35_F	0.969	0.17
71_E	78_E	0.968	0.17
38_D	41_G	0.962	0.17
26_E	59_A	0.957	0.17
70_R	78_E	0.939	0.17
53_N	67_D	0.926	0.16
39_L	73_I	0.919	0.16
12_N	64_S	0.916	0.16
76_A	80_L	0.906	0.16
13_V	21_V	0.895	0.16
2_M	6_P	0.895	0.16
26_E	75_K	0.894	0.16
53_N	78_E	0.892	0.16
81_S	87_E	0.888	0.16
79_M	82_E	0.881	0.15
63_E	66_V	0.860	0.15
21_V	72_I	0.857	0.15
61_E	80_L	0.844	0.15
23_C	44_P	0.839	0.15
33_V	47_I	0.833	0.15
27_T	33_V	0.832	0.14
39_L	66_V	0.830	0.14
68_Q	81_S	0.826	0.14
45_E	51_M	0.821	0.14
51_M	58_L	0.811	0.14
3_T	7_K	0.802	0.14
2_M	5_R	0.795	0.14
11_L	53_N	0.785	0.14
21_V	58_L	0.779	0.14
18_D	22_E	0.768	0.13
30_R	62_R	0.755	0.13
23_C	47_I	0.743	0.13
27_T	58_L	0.742	0.13
35_F	47_I	0.738	0.13
4_S	36_K	0.728	0.13
36_K	65_F	0.727	0.13
27_T	51_M	0.720	0.13
44_P	48_A	0.717	0.13
54_N	86_V	0.714	0.12
3_T	84_V	0.714	0.12
37_F	44_P	0.708	0.12
25_L	33_V	0.700	0.12
37_F	47_I	0.686	0.12
23_C	33_V	0.661	0.12
30_R	70_R	0.660	0.12
10_I	75_K	0.653	0.12
24_Q	45_E	0.651	0.12
21_V	24_Q	0.649	0.11
7_K	20_V	0.645	0.11
28_H	51_M	0.644	0.11
11_L	52_V	0.632	0.11
6_P	26_E	0.627	0.11
33_V	44_P	0.622	0.11
36_K	72_I	0.616	0.11
57_I	71_E	0.612	0.11
32_M	80_L	0.610	0.11
43_N	46_E	0.609	0.11
65_F	72_I	0.604	0.11
46_E	83_D	0.604	0.11
56_F	65_F	0.595	0.11
53_N	76_A	0.591	0.11
43_N	51_M	0.588	0.11
3_T	87_E	0.579	0.10
3_T	85_S	0.576	0.10
52_V	73_I	0.568	0.10
25_L	47_I	0.564	0.10
16_K	49_T	0.564	0.10
50_I	67_D	0.560	0.10
32_M	61_E	0.560	0.10
33_V	63_E	0.557	0.10
59_A	77_D	0.549	0.10
75_K	80_L	0.547	0.10
27_T	44_P	0.542	0.10
9_R	19_R	0.535	0.10
74_E	84_V	0.531	0.10
7_K	67_D	0.528	0.10
56_F	80_L	0.524	0.10
17_G	67_D	0.521	0.10
4_S	11_L	0.510	0.10
26_E	78_E	0.504	0.09
27_T	45_E	0.504	0.09
24_Q	51_M	0.500	0.09

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
2lru_A	1	0.8539	93.1	0.825	Contact Map
2v3s_A	1	0.8427	75.1	0.866	Contact Map
1upk_A	1	0.9438	11.6	0.917	Contact Map
4hkf_A	1	0.4944	9.5	0.92	Contact Map
2dq3_A	1	0.6292	9.3	0.92	Contact Map
2k89_A	1	0.7416	7.6	0.923	Contact Map
2a2p_A	1	0.7528	5.8	0.928	Contact Map
4l8h_A	1	0.7079	5.7	0.928	Contact Map
4b5o_A	1	0.6292	4.7	0.93	Contact Map
3h0d_A	1	0.8989	4.4	0.931	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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