PYRI - SULSO - GREMLIN Contacts

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PYRI - Aspartate carbamoyltransferase regulatory chain

UniProt:	Q9UX07	Sequences: MISSSKRDELIVSKIRNGTVIDHIPAGRALAVLRILGIRGSEGYRVALVMNVESKKIGRKDIVKIEDRVIDEKEASLITLIAPSATINIIRDYVVTEKRHLEVPKQIRGLIKCPNPQCITNNDVEAESRFITISIKPLKLKCKYCEMYITEDDVIRQIL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	159 (140)
Sequences:	758 (470)
Seq/√Len:	39.7

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
68_R	74_E	3.800	1.00
105_K	135_I	3.058	1.00
49_V	52_V	2.920	1.00
29_A	61_D	2.867	1.00
17_N	91_R	2.851	1.00
91_R	96_T	2.654	1.00
28_R	31_A	2.644	1.00
69_V	91_R	2.526	1.00
32_V	63_V	2.476	1.00
108_R	129_R	2.439	1.00
131_I	143_K	2.371	1.00
80_L	107_I	2.367	1.00
33_L	61_D	2.295	1.00
108_R	127_E	2.099	0.99
35_I	78_I	2.091	0.99
42_E	59_R	2.003	0.99
27_G	61_D	1.967	0.99
129_R	143_K	1.926	0.99
36_L	74_E	1.881	0.98
111_I	140_L	1.682	0.96
133_I	148_Y	1.680	0.96
37_G	40_G	1.643	0.96
25_P	82_A	1.635	0.96
39_R	120_T	1.611	0.95
103_V	139_K	1.570	0.95
134_S	137_P	1.534	0.94
80_L	149_I	1.506	0.94
19_T	68_R	1.504	0.93
106_Q	143_K	1.496	0.93
106_Q	129_R	1.490	0.93
109_G	127_E	1.475	0.93
15_I	90_I	1.474	0.93
61_D	86_T	1.456	0.92
32_V	149_I	1.452	0.92
105_K	108_R	1.362	0.90
17_N	32_V	1.356	0.89
100_H	135_I	1.345	0.89
132_T	140_L	1.309	0.88
88_N	109_G	1.298	0.87
122_N	128_S	1.271	0.86
12_V	53_E	1.234	0.84
52_V	61_D	1.233	0.84
47_A	62_I	1.207	0.83
121_N	128_S	1.192	0.82
15_I	20_V	1.177	0.81
32_V	38_I	1.174	0.81
21_I	87_I	1.169	0.81
32_V	81_I	1.168	0.81
82_A	85_A	1.168	0.81
47_A	147_M	1.161	0.80
29_A	38_I	1.140	0.79
20_V	90_I	1.128	0.78
17_N	149_I	1.114	0.78
133_I	141_K	1.088	0.76
14_K	52_V	1.064	0.74
35_I	95_V	1.058	0.74
36_L	81_I	1.056	0.74
37_G	97_E	1.053	0.73
91_R	97_E	1.052	0.73
59_R	96_T	1.036	0.72
20_V	46_V	1.034	0.72
61_D	66_E	1.016	0.71
15_I	33_L	1.014	0.71
89_I	97_E	1.007	0.70
83_P	138_L	0.995	0.69
33_L	50_M	0.993	0.69
69_V	81_I	0.992	0.69
134_S	139_K	0.991	0.69
78_I	85_A	0.988	0.68
78_I	101_L	0.980	0.68
133_I	146_E	0.972	0.67
105_K	132_T	0.972	0.67
38_I	123_D	0.971	0.67
16_R	92_D	0.968	0.67
27_G	104_P	0.964	0.67
53_E	90_I	0.961	0.66
120_T	133_I	0.957	0.66
33_L	48_L	0.954	0.66
103_V	138_L	0.945	0.65
57_I	84_S	0.932	0.64
20_V	24_I	0.929	0.64
72_E	112_K	0.924	0.63
109_G	129_R	0.924	0.63
12_V	88_N	0.921	0.63
16_R	99_R	0.908	0.62
15_I	69_V	0.906	0.62
15_I	45_R	0.898	0.61
17_N	83_P	0.891	0.60
15_I	50_M	0.890	0.60
12_V	49_V	0.888	0.60
126_A	148_Y	0.885	0.60
32_V	75_A	0.864	0.58
90_I	99_R	0.863	0.58
73_K	92_D	0.851	0.57
47_A	52_V	0.836	0.56
74_E	93_Y	0.832	0.55
12_V	47_A	0.831	0.55
83_P	100_H	0.828	0.55
120_T	128_S	0.828	0.55
33_L	82_A	0.821	0.54
46_V	131_I	0.819	0.54
33_L	85_A	0.817	0.54
29_A	33_L	0.809	0.53
112_K	121_N	0.808	0.53
72_E	75_A	0.805	0.53
69_V	89_I	0.805	0.53
50_M	61_D	0.802	0.52
64_K	130_F	0.790	0.51
33_L	93_Y	0.781	0.50
46_V	63_V	0.780	0.50
51_N	59_R	0.779	0.50
71_D	114_P	0.775	0.50
27_G	86_T	0.771	0.50
51_N	88_N	0.769	0.49
88_N	111_I	0.768	0.49
117_Q	146_E	0.766	0.49
67_D	146_E	0.764	0.49
34_R	39_R	0.762	0.49
90_I	95_V	0.757	0.48
51_N	64_K	0.756	0.48
53_E	83_P	0.752	0.48
10_L	52_V	0.747	0.47
114_P	149_I	0.742	0.47
44_Y	87_I	0.740	0.47
92_D	106_Q	0.733	0.46
105_K	131_I	0.725	0.45
31_A	95_V	0.722	0.45
21_I	50_M	0.721	0.45
100_H	105_K	0.720	0.45
11_I	114_P	0.720	0.45
120_T	150_T	0.711	0.44
95_V	112_K	0.709	0.44
26_A	90_I	0.709	0.44
84_S	100_H	0.706	0.44
73_K	77_L	0.703	0.43
48_L	139_K	0.703	0.43
77_L	147_M	0.701	0.43
10_L	149_I	0.701	0.43
13_S	82_A	0.698	0.43
96_T	102_E	0.697	0.43
27_G	81_I	0.690	0.42
35_I	81_I	0.689	0.42
24_I	116_P	0.689	0.42
55_K	150_T	0.689	0.42
102_E	135_I	0.686	0.42
44_Y	67_D	0.685	0.42
14_K	49_V	0.683	0.42
32_V	135_I	0.676	0.41
35_I	111_I	0.675	0.41
55_K	65_I	0.668	0.40
67_D	108_R	0.666	0.40
40_G	127_E	0.665	0.40
26_A	61_D	0.663	0.40
70_I	89_I	0.663	0.40
13_S	50_M	0.661	0.40
101_L	143_K	0.658	0.39
110_L	133_I	0.650	0.39
49_V	93_Y	0.649	0.39
45_R	66_E	0.645	0.38
14_K	57_I	0.641	0.38
77_L	110_L	0.636	0.38
57_I	93_Y	0.635	0.37
44_Y	59_R	0.633	0.37
63_V	111_I	0.632	0.37
80_L	109_G	0.629	0.37
59_R	120_T	0.628	0.37
87_I	101_L	0.624	0.36
65_I	106_Q	0.612	0.35
33_L	128_S	0.610	0.35
78_I	121_N	0.608	0.35
72_E	90_I	0.608	0.35
67_D	91_R	0.606	0.35
29_A	86_T	0.605	0.35
69_V	87_I	0.605	0.35
100_H	107_I	0.598	0.34
27_G	93_Y	0.596	0.34
117_Q	121_N	0.595	0.34
14_K	95_V	0.591	0.34
37_G	137_P	0.584	0.33
56_K	137_P	0.580	0.33
103_V	114_P	0.579	0.33
72_E	111_I	0.575	0.32
16_R	93_Y	0.570	0.32
14_K	77_L	0.568	0.32
48_L	61_D	0.567	0.32
65_I	116_P	0.567	0.32
34_R	150_T	0.565	0.32
41_S	48_L	0.562	0.31
45_R	52_V	0.559	0.31
99_R	151_E	0.557	0.31
25_P	123_D	0.555	0.31
10_L	56_K	0.553	0.31
81_I	101_L	0.551	0.31
131_I	141_K	0.547	0.30
80_L	129_R	0.542	0.30
17_N	55_K	0.540	0.30
67_D	95_V	0.532	0.29
40_G	123_D	0.532	0.29
24_I	103_V	0.525	0.29
46_V	90_I	0.524	0.29
17_N	109_G	0.524	0.29
48_L	148_Y	0.519	0.28
26_A	130_F	0.517	0.28
142_C	145_C	0.513	0.28
25_P	134_S	0.511	0.28
14_K	94_V	0.510	0.27
90_I	94_V	0.502	0.27
12_V	111_I	0.501	0.27
37_G	65_I	0.501	0.27
24_I	90_I	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
1pg5B	2	0.9182	100	0.052	Contact Map
4fyyB	2	0.9245	100	0.082	Contact Map
2be7D	2	0.8365	100	0.086	Contact Map
2ywwA	2	0.8931	100	0.101	Contact Map
2jrrA	1	0.3585	66.4	0.934	Contact Map
2jvmA	1	0.4591	29.9	0.948	Contact Map
1dl6A	1	0.3145	22.5	0.951	Contact Map
1gh9A	1	0.2516	18	0.953	Contact Map
2drpA	1	0.3522	17.1	0.953	Contact Map
2eluA	1	0.1824	16.3	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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