PYRI - ECOLI - GREMLIN Contacts

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PYRI - Aspartate carbamoyltransferase regulatory chain

UniProt:	P0A7F3	Sequences: MTHDNKLQVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQRITIGLNLPSGEMGRKDLIKIENTFLSEDQVDQLALYAPQATVNRIDNYEVVGKSRPSLPERIDNVLVCPNSNCISHAEPVSSSFAVRKRANDIALKCKYCEKEFSHNVVLAN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10811
Length:	153 (139)
Sequences:	760 (466)
Seq/√Len:	39.5

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
64_T	70_Q	3.786	1.00
101_E	130_R	3.013	1.00
45_G	48_L	3.007	1.00
14_R	87_D	2.948	1.00
26_G	57_D	2.834	1.00
25_I	28_K	2.719	1.00
87_D	92_V	2.652	1.00
126_A	139_K	2.599	1.00
29_L	59_I	2.523	1.00
104_D	124_S	2.441	1.00
65_F	87_D	2.441	1.00
30_L	57_D	2.413	1.00
124_S	139_K	2.353	1.00
76_L	103_I	2.347	1.00
39_D	55_R	2.243	1.00
104_D	122_S	2.236	1.00
32_L	74_L	2.054	0.99
34_K	37_E	1.842	0.98
24_Q	57_D	1.827	0.98
128_R	144_E	1.805	0.98
102_R	124_S	1.731	0.97
36_T	116_S	1.699	0.97
107_L	136_L	1.679	0.96
96_R	130_R	1.634	0.96
105_N	122_S	1.627	0.96
22_P	78_A	1.610	0.95
33_F	70_Q	1.596	0.95
99_L	135_A	1.580	0.95
129_K	133_D	1.568	0.95
76_L	145_F	1.518	0.94
57_D	82_T	1.509	0.93
16_T	64_T	1.484	0.93
102_R	139_K	1.454	0.92
117_H	123_S	1.407	0.91
12_I	65_F	1.378	0.90
12_I	17_V	1.359	0.89
101_E	104_D	1.321	0.88
12_I	86_I	1.318	0.88
127_V	136_L	1.309	0.87
14_R	29_L	1.297	0.87
84_N	105_N	1.262	0.85
128_R	137_K	1.254	0.85
29_L	145_F	1.249	0.85
48_L	57_D	1.237	0.84
11_A	48_L	1.203	0.82
78_A	81_A	1.200	0.82
43_T	58_L	1.139	0.79
29_L	77_Y	1.111	0.77
40_Q	63_N	1.109	0.77
79_P	134_I	1.091	0.76
18_I	83_V	1.083	0.75
17_V	21_I	1.082	0.75
129_K	135_A	1.080	0.75
57_D	62_E	1.059	0.74
9_V	43_T	1.058	0.73
116_S	123_S	1.056	0.73
34_K	93_G	1.052	0.73
118_A	123_S	1.038	0.72
32_L	91_V	1.034	0.72
49_P	86_I	1.031	0.72
43_T	48_L	1.031	0.72
12_I	30_L	1.030	0.71
14_R	145_F	1.017	0.70
55_R	92_V	1.014	0.70
13_K	95_S	1.007	0.70
9_V	49_P	0.996	0.69
9_V	84_N	0.993	0.69
65_F	85_R	0.993	0.69
74_L	81_A	0.986	0.68
85_R	93_G	0.984	0.68
65_F	77_Y	0.978	0.67
43_T	143_K	0.978	0.67
13_K	88_N	0.969	0.67
53_M	80_Q	0.967	0.67
69_D	88_N	0.955	0.66
68_E	108_V	0.955	0.66
17_V	86_I	0.931	0.64
89_Y	120_P	0.924	0.63
87_D	93_G	0.918	0.62
26_G	35_L	0.916	0.62
74_L	97_P	0.912	0.62
31_S	36_T	0.909	0.62
47_N	55_R	0.907	0.62
30_L	46_L	0.880	0.59
12_I	46_L	0.859	0.57
11_A	45_G	0.858	0.57
14_R	79_P	0.856	0.57
30_L	81_A	0.855	0.57
63_N	142_E	0.839	0.56
29_L	71_V	0.837	0.55
105_N	124_S	0.837	0.55
98_S	130_R	0.835	0.55
24_Q	100_P	0.833	0.55
108_V	117_H	0.824	0.54
9_V	45_G	0.821	0.54
86_I	91_V	0.817	0.54
101_E	127_V	0.816	0.53
30_L	89_Y	0.814	0.53
17_V	42_I	0.814	0.53
29_L	35_L	0.812	0.53
61_I	102_R	0.812	0.53
92_V	98_S	0.810	0.53
106_V	128_R	0.794	0.51
28_K	91_V	0.792	0.51
23_A	86_I	0.790	0.51
30_L	78_A	0.787	0.51
30_L	44_I	0.780	0.50
44_I	135_A	0.779	0.50
46_L	57_D	0.770	0.49
79_P	96_R	0.768	0.49
7_L	145_F	0.768	0.49
10_E	78_A	0.762	0.49
51_G	61_I	0.762	0.49
8_Q	110_P	0.753	0.48
63_N	87_D	0.748	0.47
96_R	101_E	0.748	0.47
18_I	46_L	0.741	0.47
75_A	119_E	0.740	0.47
70_Q	89_Y	0.738	0.46
86_I	95_S	0.737	0.46
116_S	146_S	0.732	0.46
10_E	46_L	0.724	0.45
26_G	30_L	0.723	0.45
84_N	107_L	0.716	0.44
31_S	146_S	0.715	0.44
67_S	110_P	0.713	0.44
24_Q	77_Y	0.711	0.44
110_P	145_F	0.707	0.44
23_A	57_D	0.707	0.44
103_I	130_R	0.702	0.43
68_E	71_V	0.698	0.43
73_Q	106_V	0.696	0.43
113_N	142_E	0.695	0.42
12_I	41_R	0.693	0.42
88_N	102_R	0.691	0.42
24_Q	82_T	0.689	0.42
28_K	75_A	0.685	0.42
49_P	121_V	0.684	0.41
80_Q	96_R	0.683	0.41
32_L	77_Y	0.682	0.41
35_L	119_E	0.681	0.41
86_I	90_E	0.678	0.41
47_N	84_N	0.673	0.41
7_L	48_L	0.670	0.40
7_L	41_R	0.670	0.40
128_R	142_E	0.662	0.40
97_P	139_K	0.662	0.40
11_A	53_M	0.656	0.39
31_S	122_S	0.649	0.38
42_I	59_I	0.646	0.38
33_F	77_Y	0.645	0.38
13_K	89_Y	0.645	0.38
99_L	134_I	0.636	0.37
11_A	91_V	0.627	0.37
69_D	73_Q	0.625	0.36
29_L	130_R	0.624	0.36
50_S	60_K	0.624	0.36
63_N	104_D	0.622	0.36
113_N	117_H	0.619	0.36
81_A	133_D	0.616	0.36
76_L	105_N	0.607	0.35
26_G	82_T	0.607	0.35
41_R	47_N	0.606	0.35
91_V	108_V	0.604	0.35
41_R	62_E	0.596	0.34
83_V	97_P	0.594	0.34
116_S	128_R	0.588	0.33
68_E	107_L	0.587	0.33
21_I	112_S	0.587	0.33
34_K	133_D	0.581	0.33
121_V	144_E	0.580	0.33
77_Y	128_R	0.576	0.32
34_K	96_R	0.573	0.32
68_E	86_I	0.570	0.32
28_K	68_E	0.565	0.31
35_L	43_T	0.565	0.31
39_D	51_G	0.565	0.31
52_E	112_S	0.564	0.31
33_F	60_K	0.559	0.31
76_L	120_P	0.559	0.31
44_I	144_E	0.559	0.31
65_F	83_V	0.558	0.31
63_N	91_V	0.557	0.31
47_N	50_S	0.556	0.31
11_A	90_E	0.556	0.31
61_I	112_S	0.555	0.31
70_Q	91_V	0.555	0.31
47_N	60_K	0.550	0.30
38_T	44_I	0.548	0.30
99_L	110_P	0.546	0.30
30_L	123_S	0.545	0.30
7_L	52_E	0.543	0.30
49_P	79_P	0.542	0.30
74_L	117_H	0.542	0.30
64_T	83_V	0.541	0.30
53_M	89_Y	0.540	0.30
18_I	73_Q	0.527	0.29
33_F	112_S	0.523	0.28
11_A	73_Q	0.523	0.28
98_S	102_R	0.519	0.28
45_G	89_Y	0.516	0.28
42_I	126_A	0.515	0.28
39_D	130_R	0.510	0.27
40_Q	55_R	0.509	0.27
98_S	142_E	0.507	0.27
24_Q	89_Y	0.507	0.27
138_C	141_C	0.502	0.27
12_I	26_G	0.500	0.27

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
4fyyB	2	0.9673	100	0.043	Contact Map
1pg5B	2	0.9281	100	0.058	Contact Map
2be7D	2	0.8758	100	0.063	Contact Map
2ywwA	2	0.9281	100	0.074	Contact Map
2jrrA	1	0.3595	62.7	0.935	Contact Map
1dl6A	1	0.3137	31.3	0.947	Contact Map
2jvmA	1	0.4641	26.5	0.948	Contact Map
2eluA	1	0.1765	25.5	0.949	Contact Map
3uk3C	1	0.1176	15.9	0.953	Contact Map
2drpA	1	0.3464	15.7	0.954	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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