AROH - BACSU - GREMLIN Contacts

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AROH - Chorismate mutase AroH

UniProt:	P19080	Sequences: MMIRGIRGATTVERDTEEEILQKTKQLLEKIIEENHTKPEDVVQMLLSATPDLHAVFPAKAVRELSGWQYVPVTCMQEMDVTGGLKKCIRVMMTVQTDVPQDQIRHVYLEKVVVLRPDLSLTKNTEL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	127 (117)
Sequences:	660 (465)
Seq/√Len:	42.9

BACSU - AROH

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
15_D	54_H	4.424	1.00
44_Q	94_T	3.953	1.00
15_D	55_A	3.643	1.00
111_K	114_V	3.462	1.00
26_Q	110_E	2.627	1.00
30_K	34_E	2.597	1.00
28_L	62_V	2.287	1.00
48_S	76_M	2.212	1.00
23_K	110_E	2.129	0.99
10_T	110_E	2.100	0.99
75_C	78_E	2.094	0.99
47_L	62_V	1.928	0.99
11_T	88_C	1.903	0.99
23_K	26_Q	1.849	0.99
49_A	79_M	1.831	0.98
12_V	53_L	1.801	0.98
99_V	103_Q	1.744	0.98
16_T	19_E	1.698	0.97
51_P	80_D	1.619	0.97
51_P	77_Q	1.590	0.96
20_I	55_A	1.590	0.96
54_H	80_D	1.587	0.96
5_G	43_V	1.573	0.96
14_R	19_E	1.531	0.95
31_I	93_M	1.483	0.94
100_P	103_Q	1.459	0.94
15_D	20_I	1.450	0.94
6_I	95_V	1.437	0.93
13_E	111_K	1.430	0.93
54_H	82_T	1.380	0.92
25_K	64_E	1.376	0.92
4_R	97_T	1.370	0.92
32_I	68_W	1.366	0.91
46_L	76_M	1.365	0.91
31_I	91_V	1.364	0.91
47_L	91_V	1.348	0.91
17_E	60_K	1.332	0.90
72_P	119_L	1.331	0.90
3_I	96_Q	1.323	0.90
74_T	92_M	1.280	0.88
10_T	26_Q	1.265	0.88
25_K	29_E	1.261	0.88
62_V	91_V	1.247	0.87
3_I	73_V	1.237	0.87
20_I	53_L	1.179	0.84
24_T	61_A	1.158	0.83
28_L	31_I	1.154	0.83
12_V	20_I	1.147	0.82
59_A	75_C	1.139	0.82
6_I	104_I	1.126	0.81
5_G	101_Q	1.123	0.81
6_I	37_T	1.102	0.80
62_V	73_V	1.080	0.78
49_A	77_Q	1.079	0.78
74_T	81_V	1.062	0.77
29_E	65_L	1.043	0.76
71_V	101_Q	1.018	0.74
48_S	74_T	0.993	0.72
79_M	82_T	0.983	0.71
13_E	23_K	0.980	0.71
21_L	61_A	0.967	0.70
32_I	42_V	0.958	0.69
3_I	43_V	0.940	0.68
59_A	73_V	0.935	0.67
31_I	107_V	0.921	0.66
21_L	56_V	0.910	0.65
43_V	94_T	0.907	0.65
76_M	79_M	0.898	0.64
97_T	104_I	0.891	0.64
28_L	93_M	0.891	0.64
95_V	104_I	0.886	0.63
34_E	107_V	0.884	0.63
53_L	87_K	0.881	0.63
17_E	21_L	0.876	0.62
24_T	60_K	0.875	0.62
93_M	108_Y	0.871	0.62
39_P	71_V	0.870	0.62
43_V	96_Q	0.865	0.61
4_R	104_I	0.863	0.61
10_T	109_L	0.858	0.61
86_K	111_K	0.850	0.60
38_K	41_D	0.829	0.58
29_E	33_E	0.827	0.58
17_E	56_V	0.826	0.58
34_E	105_R	0.822	0.57
33_E	36_H	0.819	0.57
20_I	54_H	0.815	0.57
21_L	24_T	0.809	0.56
17_E	55_A	0.803	0.56
85_L	88_C	0.796	0.55
36_H	48_S	0.792	0.55
28_L	91_V	0.790	0.54
5_G	92_M	0.786	0.54
36_H	99_V	0.776	0.53
26_Q	109_L	0.758	0.51
45_M	93_M	0.748	0.50
74_T	79_M	0.742	0.50
99_V	104_I	0.710	0.47
30_K	33_E	0.689	0.45
60_K	69_Q	0.687	0.45
5_G	68_W	0.686	0.44
14_R	87_K	0.681	0.44
28_L	110_E	0.674	0.43
12_V	109_L	0.671	0.43
5_G	37_T	0.669	0.43
51_P	69_Q	0.666	0.43
56_V	60_K	0.664	0.42
19_E	23_K	0.660	0.42
37_T	94_T	0.660	0.42
48_S	75_C	0.655	0.42
75_C	79_M	0.654	0.42
4_R	57_F	0.653	0.41
45_M	68_W	0.650	0.41
22_Q	110_E	0.647	0.41
51_P	84_G	0.646	0.41
57_F	68_W	0.644	0.41
47_L	92_M	0.640	0.40
32_I	65_L	0.639	0.40
38_K	105_R	0.638	0.40
40_E	101_Q	0.637	0.40
57_F	79_M	0.633	0.40
77_Q	82_T	0.630	0.39
93_M	96_Q	0.627	0.39
42_V	97_T	0.626	0.39
46_L	94_T	0.625	0.39
12_V	107_V	0.618	0.38
63_R	115_L	0.617	0.38
5_G	72_P	0.613	0.38
49_A	75_C	0.609	0.37
33_E	86_K	0.607	0.37
28_L	47_L	0.605	0.37
19_E	22_Q	0.602	0.37
49_A	57_F	0.600	0.37
30_K	37_T	0.599	0.37
12_V	38_K	0.597	0.36
22_Q	33_E	0.596	0.36
39_P	83_G	0.583	0.35
87_K	110_E	0.577	0.35
68_W	92_M	0.577	0.35
40_E	69_Q	0.570	0.34
60_K	74_T	0.566	0.34
15_D	19_E	0.565	0.34
43_V	101_Q	0.564	0.34
64_E	87_K	0.562	0.33
53_L	89_I	0.553	0.33
89_I	117_P	0.553	0.33
38_K	93_M	0.546	0.32
13_E	29_E	0.542	0.32
13_E	16_T	0.535	0.31
30_K	40_E	0.533	0.31
61_A	65_L	0.531	0.31
27_L	102_D	0.530	0.31
55_A	82_T	0.529	0.31
31_I	71_V	0.528	0.31
19_E	103_Q	0.527	0.30
16_T	21_L	0.527	0.30
4_R	71_V	0.522	0.30
54_H	114_V	0.521	0.30
48_S	88_C	0.520	0.30
22_Q	41_D	0.519	0.30
70_Y	101_Q	0.518	0.30
96_Q	104_I	0.516	0.30
42_V	73_V	0.516	0.30
49_A	80_D	0.512	0.29
72_P	76_M	0.511	0.29
30_K	109_L	0.509	0.29
12_V	119_L	0.508	0.29
46_L	74_T	0.508	0.29
32_I	60_K	0.506	0.29
5_G	70_Y	0.505	0.29
71_V	94_T	0.505	0.29
42_V	68_W	0.504	0.29
49_A	81_V	0.501	0.28
45_M	62_V	0.501	0.28
57_F	106_H	0.501	0.28
87_K	111_K	0.500	0.28

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
1dbfA	3	1	100	0.028	Contact Map
1xhoA	3	0.8819	100	0.058	Contact Map
1ufyA	3	0.9449	100	0.07	Contact Map
2j6yA	2	0.4803	14.7	0.949	Contact Map
2e8vA	2	0.3937	9.5	0.953	Contact Map
4jgtA	1	0.685	9.5	0.953	Contact Map
1d6gA	1	0.3701	9	0.953	Contact Map
3d1pA	1	0.6929	7.8	0.955	Contact Map
1urhA	1	0.5984	7.6	0.955	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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