PYRE - SULSO - GREMLIN Contacts

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PYRE - Orotate phosphoribosyltransferase

UniProt:	Q9UX09	Sequences: MNFAEVLLERKLLLIGSFVLTSGKVSPYYLDLRPLPNYPEFYDIVNQAIKKAKDIPHDIIVGIATGGVPLSAFIACNLKEPMGYIRIEKKGHGTNRTLELDVKGKRVLLVDDVATTGVSIEKATLEILNGGGKVSDALVIIDRQEGASQRLEKLGVKLHSLFKISEILDELLKSDKLKDNEKKSILDYLVKNVEK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	195 (169)
Sequences:	3469 (1773)
Seq/√Len:	136.4

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
144_Q	165_S	4.051	1.00
19_V	25_V	3.934	1.00
17_S	25_V	3.876	1.00
106_R	133_K	3.865	1.00
127_I	132_G	3.752	1.00
139_V	160_S	2.779	1.00
125_L	129_N	2.222	1.00
124_T	156_V	2.216	1.00
62_G	71_S	2.192	1.00
45_V	49_I	2.112	1.00
71_S	82_M	1.993	1.00
46_N	77_N	1.955	1.00
148_S	152_E	1.950	1.00
58_D	105_K	1.913	1.00
14_L	18_F	1.908	1.00
61_V	83_G	1.851	1.00
106_R	135_S	1.851	1.00
56_P	106_R	1.833	1.00
88_E	91_G	1.832	1.00
59_I	105_K	1.818	1.00
136_D	159_H	1.814	1.00
125_L	154_L	1.791	1.00
120_I	137_A	1.741	1.00
149_Q	153_K	1.725	1.00
43_D	77_N	1.725	1.00
73_F	76_C	1.718	1.00
5_E	9_E	1.707	1.00
125_L	128_L	1.699	1.00
114_A	158_L	1.691	1.00
47_Q	50_K	1.637	1.00
128_L	133_K	1.627	1.00
128_L	156_V	1.594	1.00
52_A	108_L	1.571	1.00
111_D	114_A	1.559	1.00
144_Q	163_K	1.548	1.00
102_V	132_G	1.548	1.00
102_V	105_K	1.534	1.00
20_L	26_S	1.520	1.00
52_A	138_L	1.453	1.00
51_K	159_H	1.449	1.00
57_H	108_L	1.446	1.00
30_L	141_I	1.435	1.00
139_V	158_L	1.425	1.00
43_D	79_K	1.403	1.00
163_K	166_E	1.396	1.00
151_L	158_L	1.394	1.00
105_K	132_G	1.388	1.00
136_D	157_K	1.381	1.00
114_A	147_A	1.353	1.00
64_A	68_V	1.350	1.00
48_A	52_A	1.327	1.00
58_D	106_R	1.320	1.00
72_A	82_M	1.317	1.00
109_L	120_I	1.300	1.00
150_R	153_K	1.271	1.00
134_V	156_V	1.271	1.00
114_A	139_V	1.262	1.00
49_I	78_L	1.261	1.00
59_I	83_G	1.261	1.00
97_T	126_E	1.256	1.00
44_I	49_I	1.235	1.00
121_E	154_L	1.232	1.00
35_L	44_I	1.231	1.00
48_A	161_L	1.229	1.00
6_V	41_F	1.214	1.00
46_N	49_I	1.209	1.00
97_T	129_N	1.154	0.99
137_A	156_V	1.135	0.99
108_L	136_D	1.131	0.99
45_V	73_F	1.129	0.99
109_L	124_T	1.105	0.99
81_P	105_K	1.104	0.99
39_P	79_K	1.094	0.99
6_V	9_E	1.087	0.99
85_I	126_E	1.083	0.99
48_A	51_K	1.082	0.99
45_V	48_A	1.080	0.99
34_P	101_D	1.071	0.99
46_N	50_K	1.063	0.99
58_D	104_G	1.063	0.99
55_I	136_D	1.057	0.99
49_I	52_A	1.054	0.99
14_L	94_T	1.048	0.99
74_I	110_V	1.039	0.99
32_L	113_V	1.033	0.99
17_S	27_P	1.027	0.99
128_L	154_L	1.015	0.98
44_I	48_A	1.004	0.98
44_I	51_K	0.984	0.98
45_V	52_A	0.981	0.98
54_D	159_H	0.978	0.98
66_G	69_P	0.978	0.98
21_T	91_G	0.976	0.98
60_I	71_S	0.973	0.98
142_D	146_G	0.969	0.98
109_L	134_V	0.966	0.98
24_K	145_E	0.949	0.98
45_V	51_K	0.925	0.97
120_I	151_L	0.910	0.97
65_T	68_V	0.908	0.97
121_E	150_R	0.899	0.97
15_I	28_Y	0.898	0.97
160_S	163_K	0.893	0.96
75_A	81_P	0.890	0.96
68_V	84_Y	0.889	0.96
22_S	115_T	0.885	0.96
111_D	120_I	0.880	0.96
121_E	153_K	0.880	0.96
40_E	79_K	0.869	0.96
118_V	122_K	0.865	0.96
73_F	77_N	0.863	0.96
124_T	128_L	0.861	0.96
89_K	97_T	0.860	0.96
3_F	162_F	0.857	0.96
44_I	47_Q	0.851	0.95
55_I	58_D	0.847	0.95
14_L	34_P	0.844	0.95
137_A	151_L	0.838	0.95
128_L	134_V	0.836	0.95
109_L	127_I	0.835	0.95
141_I	167_I	0.832	0.95
15_I	27_P	0.831	0.95
75_A	82_M	0.829	0.95
47_Q	51_K	0.823	0.94
5_E	170_E	0.822	0.94
57_H	80_E	0.821	0.94
13_L	30_L	0.821	0.94
67_G	84_Y	0.817	0.94
119_S	124_T	0.804	0.94
145_E	149_Q	0.802	0.94
7_L	30_L	0.798	0.94
21_T	118_V	0.791	0.93
12_L	35_L	0.791	0.93
45_V	74_I	0.770	0.92
122_K	125_L	0.769	0.92
4_A	162_F	0.759	0.92
9_E	41_F	0.755	0.92
20_L	115_T	0.752	0.91
142_D	163_K	0.751	0.91
140_I	161_L	0.751	0.91
7_L	35_L	0.739	0.91
101_D	105_K	0.738	0.91
43_D	46_N	0.729	0.90
14_L	63_I	0.726	0.90
67_G	83_G	0.723	0.90
123_A	126_E	0.722	0.90
164_I	168_L	0.720	0.90
146_G	149_Q	0.719	0.89
63_I	66_G	0.719	0.89
46_N	52_A	0.717	0.89
21_T	92_H	0.714	0.89
31_D	96_R	0.714	0.89
152_E	155_G	0.712	0.89
44_I	50_K	0.711	0.89
111_D	139_V	0.709	0.89
83_G	132_G	0.708	0.89
166_E	169_D	0.702	0.88
91_G	129_N	0.700	0.88
11_K	14_L	0.698	0.88
129_N	133_K	0.697	0.88
70_L	110_V	0.697	0.88
149_Q	152_E	0.696	0.88
107_V	127_I	0.694	0.88
128_L	155_G	0.694	0.88
59_I	132_G	0.691	0.88
152_E	157_K	0.685	0.87
85_I	127_I	0.685	0.87
65_T	84_Y	0.684	0.87
37_N	79_K	0.679	0.87
147_A	158_L	0.676	0.86
36_P	73_F	0.668	0.86
48_A	138_L	0.657	0.85
104_G	131_G	0.656	0.85
35_L	140_I	0.653	0.84
4_A	171_L	0.646	0.84
22_S	26_S	0.644	0.84
28_Y	164_I	0.643	0.84
83_G	102_V	0.630	0.82
8_L	15_I	0.630	0.82
7_L	32_L	0.629	0.82
138_L	159_H	0.626	0.82
20_L	143_R	0.626	0.82
64_A	67_G	0.626	0.82
63_I	123_A	0.623	0.82
13_L	28_Y	0.617	0.81
96_R	99_E	0.610	0.80
21_T	119_S	0.607	0.80
64_A	87_I	0.605	0.80
102_V	127_I	0.600	0.79
33_R	65_T	0.598	0.79
131_G	134_V	0.596	0.79
46_N	51_K	0.594	0.78
121_E	124_T	0.594	0.78
146_G	150_R	0.588	0.78
58_D	80_E	0.586	0.77
45_V	70_L	0.581	0.77
108_L	135_S	0.580	0.77
33_R	99_E	0.580	0.77
6_V	47_Q	0.579	0.77
49_I	74_I	0.579	0.77
66_G	85_I	0.575	0.76
31_D	63_I	0.574	0.76
45_V	50_K	0.573	0.76
103_K	130_G	0.569	0.75
61_V	85_I	0.569	0.75
35_L	70_L	0.568	0.75
43_D	167_I	0.567	0.75
8_L	171_L	0.567	0.75
88_E	96_R	0.567	0.75
6_V	10_R	0.567	0.75
39_P	42_Y	0.566	0.75
67_G	71_S	0.565	0.75
37_N	83_G	0.562	0.75
21_T	63_I	0.560	0.74
137_A	158_L	0.558	0.74
43_D	76_C	0.557	0.74
29_Y	94_T	0.556	0.74
92_H	95_N	0.554	0.73
7_L	12_L	0.554	0.73
111_D	123_A	0.552	0.73
21_T	120_I	0.550	0.73
44_I	52_A	0.550	0.73
10_R	41_F	0.548	0.73
57_H	60_I	0.543	0.72
59_I	102_V	0.543	0.72
135_S	157_K	0.542	0.72
69_P	86_R	0.542	0.72
74_I	138_L	0.542	0.72
83_G	98_L	0.540	0.72
104_G	132_G	0.538	0.71
116_T	119_S	0.537	0.71
83_G	127_I	0.536	0.71
108_L	138_L	0.536	0.71
37_N	81_P	0.535	0.71
17_S	171_L	0.534	0.71
61_V	127_I	0.533	0.71
44_I	161_L	0.531	0.70
39_P	81_P	0.531	0.70
42_Y	76_C	0.531	0.70
59_I	107_V	0.528	0.70
29_Y	33_R	0.527	0.70
124_T	154_L	0.526	0.70
55_I	108_L	0.518	0.68
45_V	77_N	0.517	0.68
11_K	101_D	0.517	0.68
104_G	133_K	0.517	0.68
124_T	134_V	0.516	0.68
91_G	122_K	0.515	0.68
46_N	129_N	0.513	0.68
61_V	123_A	0.512	0.68
111_D	161_L	0.510	0.67
53_K	159_H	0.503	0.66
32_L	140_I	0.500	0.66
21_T	65_T	0.500	0.66

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
3qw4B	4	0.959	100	0.293	Contact Map
3n2lA	4	0.9436	100	0.317	Contact Map
3mjdA	2	0.9487	100	0.32	Contact Map
2wnsA	2	0.9949	100	0.335	Contact Map
1lh0A	2	0.9846	100	0.341	Contact Map
2ps1A	2	0.9897	100	0.351	Contact Map
3m3hA	2	0.9385	100	0.36	Contact Map
4ohcA	5	1	100	0.364	Contact Map
3dezA	2	0.959	100	0.374	Contact Map
2aeeA	4	0.9795	100	0.389	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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