IPYR - HALSA - GREMLIN Contacts

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IPYR - Inorganic pyrophosphatase

UniProt:	Q9HSF3	Sequences: MANLWEDLETGPDAPDVIYAVVECLKGERNKYEYDKDIPGVVLDRVLHSNVHYPSDYGFIPQSYYDDGDPFDVLVLVEDQTFPGCVIEARPVALMEMDDDGEQDDKVIAVPEEDPRYDDVEDVDDLTDQQKAEIAEFFETYKNLEADKETAVLGWGDAQAAKDAIEHAQDLYDEQFA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	177 (164)
Sequences:	2288 (1184)
Seq/√Len:	92.5

ECOLI - IPYR
HALSA - IPYR
SULSO - IPYR

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
73_V	109_A	3.989	1.00
156_G	160_A	3.130	1.00
163_D	167_H	2.995	1.00
158_A	162_K	2.594	1.00
96_E	156_G	2.528	1.00
128_D	132_A	2.450	1.00
166_E	170_D	2.437	1.00
122_D	157_D	2.397	1.00
17_V	88_E	2.384	1.00
66_D	103_Q	2.371	1.00
20_A	73_V	2.367	1.00
13_D	16_D	2.349	1.00
81_T	85_C	2.279	1.00
135_A	139_E	2.192	1.00
113_E	118_D	2.166	1.00
140_T	143_N	2.031	1.00
90_R	121_E	1.906	1.00
22_V	75_V	1.902	1.00
98_D	153_L	1.875	1.00
121_E	125_D	1.868	1.00
30_N	43_L	1.851	1.00
122_D	158_A	1.838	1.00
94_L	156_G	1.837	1.00
71_F	168_A	1.829	1.00
88_E	112_E	1.826	1.00
66_D	171_L	1.822	1.00
16_D	162_K	1.798	1.00
17_V	112_E	1.766	1.00
167_H	171_L	1.711	1.00
157_D	160_A	1.702	1.00
96_E	105_D	1.682	1.00
132_A	135_A	1.661	1.00
18_I	91_P	1.628	1.00
105_D	164_A	1.616	1.00
81_T	87_I	1.566	1.00
92_V	120_V	1.546	1.00
11_G	15_P	1.544	1.00
82_F	85_C	1.530	1.00
60_I	165_I	1.521	1.00
14_A	169_Q	1.513	1.00
162_K	166_E	1.436	0.99
13_D	17_V	1.425	0.99
170_D	173_D	1.412	0.99
163_D	166_E	1.412	0.99
20_A	89_A	1.377	0.99
18_I	89_A	1.355	0.99
18_I	73_V	1.349	0.99
34_Y	59_F	1.349	0.99
19_Y	42_V	1.347	0.99
94_L	164_A	1.345	0.99
136_E	143_N	1.335	0.99
136_E	140_T	1.334	0.99
35_D	38_I	1.299	0.99
87_I	111_P	1.294	0.99
91_P	107_V	1.289	0.99
91_P	165_I	1.265	0.99
65_Y	168_A	1.238	0.98
123_V	126_L	1.234	0.98
40_G	86_V	1.225	0.98
18_I	60_I	1.216	0.98
94_L	161_A	1.193	0.98
10_T	60_I	1.169	0.98
30_N	56_D	1.167	0.98
96_E	153_L	1.150	0.97
98_D	102_E	1.148	0.97
160_A	163_D	1.144	0.97
48_H	115_P	1.139	0.97
55_S	74_L	1.126	0.97
119_D	128_D	1.097	0.97
124_D	157_D	1.091	0.97
98_D	103_Q	1.084	0.96
34_Y	38_I	1.067	0.96
135_A	154_G	1.061	0.96
145_E	148_K	1.058	0.96
108_I	131_K	1.057	0.96
51_V	140_T	1.052	0.96
89_A	109_A	1.051	0.96
62_Q	172_Y	1.047	0.96
159_Q	162_K	1.045	0.96
129_Q	133_E	1.041	0.95
116_R	130_Q	1.040	0.95
96_E	160_A	1.035	0.95
164_A	167_H	1.023	0.95
42_V	88_E	1.022	0.95
41_V	83_P	1.019	0.95
19_Y	88_E	1.019	0.95
98_D	151_A	1.018	0.95
94_L	107_V	0.997	0.94
34_Y	41_V	0.993	0.94
159_Q	163_D	0.989	0.94
107_V	165_I	0.987	0.94
65_Y	103_Q	0.981	0.94
94_L	105_D	0.971	0.93
43_L	46_V	0.971	0.93
65_Y	164_A	0.967	0.93
19_Y	61_P	0.952	0.93
11_G	14_A	0.941	0.92
108_I	123_V	0.929	0.92
88_E	113_E	0.926	0.92
33_E	57_Y	0.915	0.91
169_Q	173_D	0.913	0.91
33_E	142_K	0.898	0.90
51_V	136_E	0.895	0.90
65_Y	171_L	0.891	0.90
76_L	126_L	0.889	0.90
122_D	159_Q	0.889	0.90
47_L	137_F	0.888	0.90
46_V	77_V	0.883	0.90
57_Y	106_K	0.879	0.89
57_Y	142_K	0.879	0.89
26_K	77_V	0.872	0.89
164_A	168_A	0.865	0.89
60_I	71_F	0.857	0.88
10_T	169_Q	0.853	0.88
30_N	82_F	0.851	0.88
93_A	123_V	0.829	0.87
35_D	42_V	0.825	0.86
49_S	136_E	0.818	0.86
108_I	126_L	0.806	0.85
120_V	130_Q	0.799	0.84
56_D	81_T	0.794	0.84
22_V	87_I	0.793	0.84
135_A	152_V	0.793	0.84
36_K	172_Y	0.792	0.84
95_M	134_I	0.788	0.84
78_E	116_R	0.787	0.84
57_Y	99_D	0.780	0.83
124_D	131_K	0.774	0.83
135_A	155_W	0.770	0.82
71_F	101_G	0.769	0.82
69_D	99_D	0.764	0.82
62_Q	169_Q	0.763	0.82
99_D	106_K	0.761	0.81
56_D	82_F	0.751	0.81
33_E	99_D	0.750	0.81
95_M	152_V	0.743	0.80
55_S	134_I	0.742	0.80
99_D	104_D	0.739	0.80
118_D	163_D	0.728	0.79
115_P	118_D	0.725	0.78
41_V	82_F	0.722	0.78
10_T	62_Q	0.720	0.78
69_D	72_D	0.713	0.77
52_H	79_D	0.710	0.77
65_Y	105_D	0.706	0.76
165_I	169_Q	0.705	0.76
128_D	131_K	0.703	0.76
157_D	163_D	0.702	0.76
47_L	53_Y	0.702	0.76
55_S	76_L	0.694	0.75
43_L	56_D	0.693	0.75
131_K	155_W	0.692	0.75
27_G	79_D	0.678	0.73
11_G	18_I	0.672	0.73
92_V	126_L	0.672	0.73
21_V	138_F	0.672	0.73
160_A	164_A	0.671	0.73
23_E	31_K	0.670	0.73
95_M	155_W	0.667	0.72
106_K	142_K	0.667	0.72
76_L	130_Q	0.664	0.72
32_Y	44_D	0.663	0.72
50_N	136_E	0.658	0.71
29_R	133_E	0.657	0.71
40_G	61_P	0.656	0.71
32_Y	83_P	0.655	0.71
99_D	142_K	0.654	0.71
65_Y	71_F	0.652	0.71
46_V	56_D	0.652	0.71
57_Y	104_D	0.651	0.70
144_L	148_K	0.648	0.70
30_N	80_Q	0.647	0.70
67_D	72_D	0.644	0.70
41_V	84_G	0.636	0.69
108_I	155_W	0.630	0.68
16_D	166_E	0.628	0.68
116_R	120_V	0.625	0.67
24_C	33_E	0.624	0.67
79_D	115_P	0.618	0.66
139_E	152_V	0.615	0.66
159_Q	166_E	0.615	0.66
92_V	124_D	0.608	0.65
125_D	131_K	0.607	0.65
160_A	167_H	0.606	0.65
92_V	122_D	0.605	0.65
123_V	131_K	0.601	0.64
25_L	82_F	0.601	0.64
78_E	114_D	0.598	0.64
36_K	168_A	0.591	0.63
20_A	109_A	0.589	0.63
33_E	106_K	0.587	0.62
24_C	142_K	0.586	0.62
100_D	152_V	0.585	0.62
91_P	162_K	0.581	0.62
33_E	44_D	0.581	0.62
49_S	53_Y	0.581	0.62
119_D	167_H	0.578	0.61
77_V	81_T	0.577	0.61
167_H	170_D	0.577	0.61
81_T	89_A	0.575	0.61
96_E	103_Q	0.572	0.60
74_L	138_F	0.571	0.60
132_A	146_A	0.569	0.60
47_L	50_N	0.568	0.60
120_V	127_T	0.567	0.60
75_V	87_I	0.564	0.59
63_S	70_P	0.564	0.59
10_T	14_A	0.561	0.59
97_M	153_L	0.558	0.59
24_C	106_K	0.558	0.59
63_S	165_I	0.557	0.58
97_M	142_K	0.555	0.58
163_D	170_D	0.555	0.58
163_D	173_D	0.555	0.58
46_V	81_T	0.553	0.58
56_D	77_V	0.549	0.57
64_Y	68_G	0.549	0.57
35_D	39_P	0.547	0.57
90_R	118_D	0.543	0.57
92_V	123_V	0.542	0.56
129_Q	132_A	0.540	0.56
54_P	134_I	0.540	0.56
29_R	56_D	0.538	0.56
97_M	100_D	0.535	0.55
158_A	161_A	0.535	0.55
20_A	75_V	0.533	0.55
35_D	44_D	0.531	0.55
33_E	104_D	0.529	0.55
42_V	86_V	0.528	0.54
107_V	161_A	0.528	0.54
21_V	61_P	0.523	0.54
126_L	131_K	0.519	0.53
143_N	149_E	0.516	0.53
123_V	158_A	0.516	0.53
35_D	74_L	0.514	0.53
76_L	169_Q	0.512	0.52
75_V	89_A	0.512	0.52
168_A	171_L	0.511	0.52
66_D	105_D	0.509	0.52
43_L	85_C	0.508	0.52
48_H	114_D	0.505	0.51
120_V	126_L	0.505	0.51
76_L	134_I	0.503	0.51
14_A	17_V	0.503	0.51
46_V	78_E	0.503	0.51
18_I	162_K	0.500	0.51

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
3q46A	5	0.9831	100	0.073	Contact Map
4lugA	3	0.9887	100	0.073	Contact Map
2prdA	5	0.9718	100	0.095	Contact Map
3gvfA	5	0.9661	100	0.099	Contact Map
1e9gA	2	1	100	0.105	Contact Map
3fq3A	6	0.9605	100	0.111	Contact Map
2au7A	5	0.9718	100	0.112	Contact Map
3ld3A	5	0.9492	100	0.114	Contact Map
2bqxA	5	0.9266	100	0.127	Contact Map
3tr4A	5	0.9492	100	0.128	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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