PYRI - HALSA - GREMLIN Contacts

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PYRI - Aspartate carbamoyltransferase regulatory chain

UniProt:	Q9HHN3	Sequences: MSSDQHLQVSKIQAGTVIDHIPAGQALQVLQILGTNGASDDQITVGMNVTSERHHRKDIVKIEGRELSQDEVDVLSLIAPDATINIVRDYEVDEKRRVDRPDVVAGVLSCPNPNCITANDEPVRSGFDVLDDGMRCQYCEQIVSEDIPSLIDPE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	154 (136)
Sequences:	743 (446)
Seq/√Len:	38.2

ECOLI - PYRI
HALSA - PYRI
SULSO - PYRI

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
65_R	71_E	3.987	1.00
46_G	49_V	3.152	1.00
102_D	132_D	3.139	1.00
26_A	58_D	2.982	1.00
14_A	88_R	2.869	1.00
88_R	93_D	2.818	1.00
25_Q	28_Q	2.800	1.00
66_E	88_R	2.576	1.00
105_A	126_G	2.499	1.00
29_V	60_V	2.459	1.00
30_L	58_D	2.457	1.00
77_L	104_V	2.424	1.00
128_D	137_Q	2.361	1.00
32_I	75_L	2.349	1.00
105_A	124_R	2.278	1.00
126_G	137_Q	2.252	0.99
24_G	58_D	1.838	0.98
106_G	124_R	1.788	0.97
130_L	142_I	1.762	0.97
36_N	117_T	1.759	0.97
77_L	143_V	1.693	0.96
108_L	134_M	1.688	0.96
103_V	126_G	1.667	0.96
40_D	56_R	1.658	0.96
33_L	71_E	1.634	0.95
34_G	37_G	1.582	0.94
97_R	132_D	1.564	0.94
22_P	79_A	1.542	0.94
16_T	65_R	1.477	0.92
58_D	83_T	1.476	0.92
12_I	87_V	1.445	0.91
103_V	137_Q	1.379	0.89
129_V	134_M	1.376	0.89
37_G	40_D	1.353	0.88
85_N	106_G	1.349	0.88
29_V	143_V	1.343	0.88
79_A	82_A	1.308	0.86
49_V	58_D	1.308	0.86
11_K	49_V	1.305	0.86
14_A	29_V	1.304	0.86
100_R	133_G	1.258	0.84
102_D	105_A	1.222	0.82
9_V	50_T	1.218	0.82
12_I	17_V	1.216	0.82
58_D	63_E	1.200	0.81
130_L	135_R	1.187	0.80
75_L	82_A	1.174	0.80
44_T	59_I	1.154	0.79
88_R	94_E	1.143	0.78
17_V	21_I	1.123	0.77
29_V	78_I	1.094	0.75
9_V	46_G	1.088	0.74
75_L	98_V	1.082	0.74
44_T	141_Q	1.069	0.73
32_I	92_V	1.062	0.73
12_I	30_L	1.061	0.72
29_V	35_T	1.049	0.72
17_V	87_V	1.020	0.69
50_T	87_V	1.019	0.69
48_N	56_R	1.018	0.69
66_E	78_I	1.006	0.68
120_D	123_V	1.000	0.68
13_Q	89_D	0.991	0.67
43_I	128_D	0.981	0.66
9_V	44_T	0.969	0.65
117_T	125_S	0.965	0.65
17_V	43_I	0.961	0.65
12_I	47_M	0.953	0.64
18_I	84_I	0.952	0.64
7_L	143_V	0.937	0.63
56_R	93_D	0.935	0.63
44_T	49_V	0.931	0.62
13_Q	96_R	0.926	0.62
14_A	143_V	0.919	0.61
86_I	94_E	0.919	0.61
9_V	85_N	0.914	0.61
24_G	101_P	0.907	0.60
26_A	35_T	0.896	0.59
102_D	129_V	0.894	0.59
89_D	103_V	0.890	0.59
71_E	90_Y	0.878	0.58
111_P	143_V	0.877	0.58
28_Q	76_S	0.872	0.57
30_L	45_V	0.870	0.57
48_N	61_K	0.864	0.56
80_P	97_R	0.856	0.56
70_D	89_D	0.852	0.55
41_D	64_G	0.849	0.55
30_L	82_A	0.848	0.55
31_Q	36_N	0.845	0.55
30_L	47_M	0.843	0.55
97_R	102_D	0.843	0.55
89_D	133_G	0.832	0.54
28_Q	92_V	0.831	0.54
66_E	86_I	0.828	0.53
12_I	42_Q	0.827	0.53
14_A	80_P	0.825	0.53
85_N	108_L	0.820	0.53
47_M	58_D	0.819	0.52
52_E	144_S	0.818	0.52
87_V	92_V	0.805	0.51
114_N	140_E	0.799	0.51
30_L	79_A	0.799	0.51
69_Q	72_V	0.798	0.51
87_V	96_R	0.797	0.50
69_Q	109_S	0.796	0.50
116_I	120_D	0.795	0.50
8_Q	111_P	0.792	0.50
48_N	85_N	0.782	0.49
34_G	94_E	0.781	0.49
67_L	86_I	0.779	0.49
50_T	80_P	0.767	0.48
54_H	81_D	0.766	0.48
10_S	79_A	0.763	0.47
23_A	87_V	0.762	0.47
62_I	103_V	0.758	0.47
106_G	126_G	0.757	0.47
30_L	90_Y	0.746	0.46
123_V	142_I	0.746	0.46
29_V	72_V	0.746	0.46
18_I	47_M	0.743	0.46
33_L	78_I	0.734	0.45
24_G	83_T	0.729	0.44
31_Q	144_S	0.726	0.44
24_G	78_I	0.712	0.43
90_Y	122_P	0.712	0.43
7_L	49_V	0.709	0.43
32_I	78_I	0.703	0.42
117_T	144_S	0.700	0.42
62_I	113_P	0.691	0.41
54_H	90_Y	0.687	0.41
53_R	85_N	0.684	0.40
10_S	47_M	0.683	0.40
26_A	30_L	0.682	0.40
64_G	88_R	0.670	0.39
93_D	99_D	0.669	0.39
60_V	108_L	0.667	0.39
77_L	106_G	0.665	0.39
92_V	109_S	0.663	0.39
52_E	62_I	0.662	0.39
11_K	46_G	0.662	0.39
7_L	53_R	0.661	0.38
40_D	132_D	0.654	0.38
22_P	119_N	0.652	0.38
23_A	58_D	0.647	0.37
92_V	122_P	0.647	0.37
11_K	92_V	0.646	0.37
24_G	90_Y	0.644	0.37
68_S	111_P	0.643	0.37
69_Q	87_V	0.637	0.36
21_I	113_P	0.637	0.36
45_V	58_D	0.630	0.36
119_N	125_S	0.626	0.36
99_D	140_E	0.625	0.35
65_R	73_D	0.623	0.35
11_K	91_E	0.616	0.35
12_I	66_E	0.614	0.35
32_I	108_L	0.610	0.34
64_G	105_A	0.605	0.34
14_A	52_E	0.601	0.34
64_G	140_E	0.589	0.33
7_L	42_Q	0.589	0.33
99_D	132_D	0.588	0.33
51_S	55_H	0.583	0.32
12_I	63_E	0.582	0.32
130_L	140_E	0.579	0.32
78_I	98_V	0.576	0.32
42_Q	49_V	0.573	0.31
26_A	83_T	0.568	0.31
46_G	90_Y	0.562	0.31
65_R	84_I	0.561	0.30
16_T	72_V	0.556	0.30
33_L	113_P	0.555	0.30
91_E	99_D	0.553	0.30
7_L	10_S	0.553	0.30
18_I	82_A	0.550	0.30
12_I	26_A	0.550	0.30
90_Y	141_Q	0.546	0.29
70_D	74_V	0.544	0.29
98_V	137_Q	0.543	0.29
43_I	60_V	0.541	0.29
34_G	97_R	0.540	0.29
54_H	144_S	0.532	0.28
121_E	140_E	0.530	0.28
41_D	56_R	0.528	0.28
42_Q	63_E	0.526	0.28
7_L	63_E	0.524	0.28
81_D	97_R	0.522	0.28
87_V	91_E	0.522	0.28
102_D	133_G	0.521	0.27
74_V	107_V	0.520	0.27
49_V	63_E	0.520	0.27
53_R	113_P	0.519	0.27
13_Q	90_Y	0.517	0.27
120_D	125_S	0.511	0.27
18_I	74_V	0.509	0.27
26_A	63_E	0.504	0.26
22_P	131_D	0.504	0.26
21_I	100_R	0.503	0.26
84_I	98_V	0.503	0.26
100_R	111_P	0.503	0.26
108_L	142_I	0.502	0.26
41_D	60_V	0.500	0.26
21_I	87_V	0.500	0.26

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
1pg5B	2	0.9286	100	0.075	Contact Map
4fyyB	2	0.9351	100	0.085	Contact Map
2be7D	2	0.8442	100	0.098	Contact Map
2ywwA	2	0.9026	100	0.099	Contact Map
1dl6A	1	0.3247	47	0.941	Contact Map
2jrrA	1	0.3571	24.5	0.949	Contact Map
1pftA	1	0.2857	20.6	0.951	Contact Map
4h9dA	3	0.3571	12.6	0.955	Contact Map
4bbrM	1	0.2662	8.3	0.959	Contact Map
3iixA	1	0.5195	7.5	0.96	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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