PYRE - BACSU - GREMLIN Contacts

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PYRE - Orotate phosphoribosyltransferase

UniProt:	P25972	Sequences: MGGNQILKQIIAKHLLDIQAVFLRPNEPFTWASGILSPIYCDNRLTLSFPEVRNDVASGISKLVKEHFPEAEMIAGTATAGIPHAALAADHLNLPMCYVRSKPKAHGKGNQIEGAVQEGQKTVVIEDLISTGGSVLEACAALQAAGCEVLGVVSIFTYGLPKAEEAFAKAELPYYSLTDYDTLTEVALENGNIHSDDLKKLQTWKRNPESKDWFKK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	216 (190)
Sequences:	3298 (1840)
Seq/√Len:	133.5

ECOLI - PYRE
BACSU - PYRE
HALSA - PYRE
SULSO - PYRE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
159_G	181_D	4.158	1.00
30_T	36_L	3.955	1.00
28_P	36_L	3.673	1.00
142_L	147_C	3.599	1.00
121_K	148_E	3.466	1.00
154_S	176_S	2.701	1.00
117_Q	120_Q	2.542	1.00
165_E	169_K	2.498	1.00
64_V	123_V	2.425	1.00
9_Q	189_E	2.355	1.00
58_S	91_H	2.351	1.00
164_E	168_A	2.342	1.00
198_L	202_Q	2.214	1.00
166_A	169_K	2.202	1.00
140_A	144_A	2.145	1.00
139_C	172_L	2.043	1.00
140_A	170_A	1.958	1.00
85_A	96_M	1.930	1.00
13_K	190_N	1.924	1.00
75_A	97_C	1.813	1.00
102_K	105_A	1.795	1.00
188_L	202_Q	1.783	1.00
13_K	17_D	1.773	1.00
22_F	29_F	1.757	1.00
165_E	168_A	1.706	1.00
121_K	150_L	1.698	1.00
61_S	92_L	1.697	1.00
188_L	198_L	1.693	1.00
70_E	121_K	1.679	1.00
72_E	120_Q	1.678	1.00
87_L	90_D	1.668	1.00
143_Q	172_L	1.648	1.00
151_G	175_Y	1.641	1.00
57_A	87_L	1.638	1.00
14_H	55_D	1.635	1.00
199_K	202_Q	1.599	1.00
159_G	179_D	1.592	1.00
73_M	120_Q	1.592	1.00
63_L	175_Y	1.564	1.00
46_T	56_V	1.558	1.00
195_S	199_K	1.540	1.00
135_V	152_V	1.517	1.00
151_G	173_P	1.491	1.00
54_N	91_H	1.478	1.00
129_I	174_Y	1.476	1.00
116_V	120_Q	1.474	1.00
129_I	163_A	1.469	1.00
41_C	156_F	1.433	1.00
64_V	153_V	1.423	1.00
18_I	52_V	1.423	1.00
31_W	37_S	1.409	1.00
10_I	55_D	1.405	1.00
54_N	93_N	1.403	1.00
73_M	97_C	1.380	1.00
86_A	96_M	1.380	1.00
116_V	147_C	1.378	1.00
143_Q	148_E	1.372	1.00
179_D	182_T	1.372	1.00
188_L	195_S	1.369	1.00
111_Q	141_A	1.364	1.00
78_A	82_I	1.318	1.00
51_E	93_N	1.308	1.00
140_A	143_Q	1.306	1.00
76_G	85_A	1.293	1.00
72_E	121_K	1.291	1.00
72_E	119_G	1.290	1.00
71_A	123_V	1.281	1.00
126_E	129_I	1.246	1.00
180_Y	201_L	1.242	1.00
59_G	177_L	1.236	1.00
8_K	179_D	1.225	1.00
59_G	62_K	1.218	1.00
124_V	135_V	1.215	1.00
111_Q	144_A	1.208	1.00
124_V	149_V	1.204	1.00
99_V	141_A	1.187	0.99
67_H	175_Y	1.170	0.99
154_S	174_Y	1.167	0.99
62_K	66_E	1.148	0.99
129_I	154_S	1.094	0.99
14_H	17_D	1.092	0.99
124_V	139_C	1.090	0.99
199_K	203_T	1.087	0.99
57_A	88_A	1.086	0.99
60_I	153_V	1.084	0.99
14_H	52_V	1.070	0.99
28_P	38_P	1.061	0.99
167_F	174_Y	1.056	0.99
68_F	175_Y	1.055	0.99
12_A	178_T	1.047	0.99
45_L	115_A	1.046	0.99
152_V	172_L	1.041	0.99
162_K	165_E	1.040	0.99
32_A	105_A	1.035	0.99
161_P	165_E	1.032	0.98
8_K	182_T	1.021	0.98
80_A	83_P	1.013	0.98
120_Q	147_C	1.006	0.98
200_K	203_T	1.002	0.98
136_L	170_A	0.983	0.98
57_A	91_H	0.972	0.98
197_D	200_K	0.972	0.98
139_C	143_Q	0.970	0.98
22_F	108_K	0.964	0.98
186_V	189_E	0.954	0.97
89_A	95_P	0.953	0.97
9_Q	185_E	0.938	0.97
185_E	188_L	0.936	0.97
54_N	58_S	0.930	0.97
134_S	139_C	0.909	0.97
149_V	172_L	0.905	0.97
39_I	180_Y	0.903	0.97
161_P	164_E	0.899	0.96
10_I	13_K	0.897	0.96
143_Q	170_A	0.895	0.96
123_V	151_G	0.882	0.96
88_A	125_I	0.871	0.96
143_Q	149_V	0.870	0.96
103_P	111_Q	0.868	0.96
82_I	98_Y	0.867	0.96
77_T	80_A	0.865	0.96
60_I	88_A	0.848	0.95
97_C	147_C	0.846	0.95
12_A	187_A	0.844	0.95
43_N	128_L	0.844	0.95
10_I	14_H	0.843	0.95
74_I	85_A	0.837	0.95
32_A	133_G	0.827	0.94
20_A	46_T	0.825	0.94
133_G	137_E	0.823	0.94
136_L	166_A	0.822	0.94
157_T	162_K	0.818	0.94
99_V	142_L	0.816	0.94
155_I	177_L	0.813	0.94
17_D	190_N	0.809	0.94
31_W	130_S	0.808	0.94
138_A	141_A	0.808	0.94
156_F	183_L	0.805	0.93
126_E	135_V	0.803	0.93
13_K	186_V	0.802	0.93
162_K	166_A	0.797	0.93
137_E	140_A	0.797	0.93
62_K	65_K	0.792	0.93
185_E	189_E	0.784	0.93
61_S	88_A	0.781	0.92
33_S	130_S	0.778	0.92
67_H	173_P	0.774	0.92
157_T	179_D	0.773	0.92
57_A	90_D	0.771	0.92
71_A	94_L	0.770	0.92
97_C	116_V	0.767	0.92
73_M	147_C	0.765	0.92
196_D	199_K	0.764	0.92
84_H	125_I	0.763	0.92
23_L	39_I	0.762	0.91
14_H	59_G	0.757	0.91
48_S	93_N	0.752	0.91
124_V	142_L	0.747	0.91
64_V	88_A	0.747	0.91
22_F	45_L	0.741	0.90
22_F	77_T	0.737	0.90
116_V	122_T	0.736	0.90
63_L	67_H	0.727	0.89
19_Q	22_F	0.727	0.89
8_K	178_T	0.726	0.89
69_P	72_E	0.719	0.89
126_E	138_A	0.717	0.89
57_A	84_H	0.714	0.89
32_A	106_H	0.713	0.89
97_C	112_I	0.712	0.88
168_A	173_P	0.712	0.88
78_A	81_G	0.710	0.88
79_T	98_Y	0.710	0.88
73_M	116_V	0.709	0.88
61_S	65_K	0.705	0.88
115_A	120_Q	0.703	0.88
56_V	177_L	0.703	0.88
42_D	110_N	0.702	0.88
19_Q	49_F	0.694	0.87
81_G	98_Y	0.693	0.87
98_Y	126_E	0.693	0.87
186_V	190_N	0.691	0.87
153_V	175_Y	0.687	0.87
190_N	195_S	0.685	0.86
119_G	146_G	0.683	0.86
58_S	62_K	0.679	0.86
103_P	109_G	0.677	0.86
87_L	91_H	0.675	0.86
60_I	177_L	0.674	0.86
176_S	179_D	0.671	0.85
61_S	91_H	0.667	0.85
54_N	90_D	0.666	0.85
197_D	201_L	0.659	0.84
11_I	178_T	0.650	0.84
89_A	96_M	0.646	0.83
65_K	92_L	0.639	0.82
31_W	158_Y	0.637	0.82
189_E	196_D	0.634	0.82
20_A	45_L	0.632	0.82
150_L	173_P	0.631	0.82
128_L	156_F	0.630	0.82
83_P	86_A	0.629	0.81
77_T	138_A	0.628	0.81
15_L	46_T	0.624	0.81
48_S	97_C	0.622	0.81
72_E	94_L	0.622	0.81
196_D	200_K	0.621	0.81
180_Y	184_T	0.615	0.80
8_K	13_K	0.614	0.80
62_K	191_G	0.614	0.80
58_S	61_S	0.612	0.80
21_V	41_C	0.611	0.80
60_I	84_H	0.607	0.79
19_Q	115_A	0.600	0.78
105_A	144_A	0.595	0.78
79_T	82_I	0.591	0.77
8_K	11_I	0.590	0.77
46_T	84_H	0.590	0.77
195_S	198_L	0.590	0.77
15_L	20_A	0.587	0.77
188_L	196_D	0.584	0.76
75_A	138_A	0.583	0.76
96_M	113_E	0.580	0.76
124_V	172_L	0.579	0.76
106_H	109_G	0.578	0.76
69_P	151_G	0.578	0.76
159_G	162_K	0.576	0.76
47_L	87_L	0.576	0.76
126_E	154_S	0.576	0.76
31_W	201_L	0.576	0.76
184_T	191_G	0.575	0.75
98_Y	113_E	0.574	0.75
56_V	155_I	0.573	0.75
184_T	198_L	0.565	0.74
100_R	104_K	0.565	0.74
152_V	167_F	0.565	0.74
165_E	170_A	0.561	0.74
122_T	142_L	0.558	0.73
41_C	128_L	0.554	0.73
189_E	202_Q	0.554	0.73
74_I	88_A	0.554	0.73
46_T	155_I	0.553	0.73
161_P	168_A	0.553	0.73
80_A	99_V	0.551	0.72
54_N	87_L	0.548	0.72
135_V	167_F	0.548	0.72
110_N	113_E	0.548	0.72
55_D	58_S	0.547	0.72
189_E	192_N	0.547	0.72
162_K	168_A	0.547	0.72
102_K	137_E	0.543	0.71
105_A	137_E	0.541	0.71
74_I	125_I	0.538	0.71
189_E	198_L	0.536	0.70
117_Q	142_L	0.536	0.70
32_A	135_V	0.535	0.70
104_K	107_G	0.535	0.70
191_G	195_S	0.534	0.70
185_E	196_D	0.534	0.70
86_A	90_D	0.533	0.70
77_T	101_S	0.533	0.70
33_S	37_S	0.532	0.70
57_A	61_S	0.531	0.70
196_D	203_T	0.530	0.69
32_A	77_T	0.530	0.69
143_Q	171_E	0.528	0.69
195_S	202_Q	0.527	0.69
181_D	202_Q	0.526	0.69
42_D	77_T	0.525	0.69
44_R	113_E	0.518	0.68
43_N	155_I	0.517	0.67
198_L	201_L	0.515	0.67
32_A	134_S	0.513	0.67
171_E	190_N	0.509	0.66
63_L	66_E	0.509	0.66
157_T	163_A	0.509	0.66
71_A	121_K	0.508	0.66
182_T	185_E	0.507	0.66
69_P	123_V	0.507	0.66
40_Y	44_R	0.507	0.66
59_G	63_L	0.505	0.66
15_L	41_C	0.505	0.66
81_G	97_C	0.503	0.65
12_A	186_V	0.501	0.65
29_F	37_S	0.500	0.65

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
3m3hA	2	0.9352	100	0.342	Contact Map
3qw4B	4	0.912	100	0.35	Contact Map
3n2lA	4	0.8889	100	0.361	Contact Map
3dezA	2	0.9213	100	0.366	Contact Map
4ohcA	5	0.9907	100	0.369	Contact Map
3mjdA	2	0.9074	100	0.37	Contact Map
2wnsA	2	0.9259	100	0.371	Contact Map
2aeeA	4	0.9491	100	0.379	Contact Map
1lh0A	2	0.9259	100	0.381	Contact Map
2ps1A	2	0.9444	100	0.397	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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