QUEE - BACSU - GREMLIN Contacts

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QUEE - 7-carboxy-7-deazaguanine synthase

UniProt:	O31677	Sequences: MAKGIPVLEIFGPTIQGEGMVIGQKTMFVRTAGCDYSCSWCDSAFTWDGSAKKDIRWMTAEEIFAELKDIGGDAFSHVTISGGNPALLKQLDAFIELLKENNIRAALETQGTVYQDWFTLIDDLTISPKPPSSKMVTNFQKLDHILTSLQENDRQHAVSLKVVIFNDEDLEFAKTVHKRYPGIPFYLQVGNDDVHTTDDQSLIAHLLGKYEALVDKVAVDAELNLVRVLPQLHTLLWGNKRGV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	243 (196)
Sequences:	2644 (1751)
Seq/√Len:	125.1

ECOLI - QUEE
BACSU - QUEE
HALSA - Q9HHN7
SULSO - Q97ZQ9

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_K	101_N	3.874	1.00
66_E	69_D	3.371	1.00
35_D	110_Q	3.317	1.00
61_E	97_L	2.976	1.00
170_L	220_D	2.610	1.00
174_K	220_D	2.530	1.00
59_T	62_E	2.422	1.00
99_K	122_D	2.368	1.00
10_I	66_E	2.332	1.00
24_Q	104_R	2.303	1.00
217_V	228_V	2.258	1.00
158_V	183_I	2.120	1.00
78_V	98_L	2.085	1.00
215_D	219_V	2.028	1.00
26_T	77_H	1.925	1.00
35_D	112_T	1.915	1.00
167_D	171_E	1.884	1.00
86_A	115_Q	1.883	1.00
109_T	126_I	1.882	1.00
58_M	66_E	1.876	1.00
211_E	215_D	1.856	1.00
216_K	220_D	1.855	1.00
80_I	90_Q	1.839	1.00
26_T	79_T	1.811	1.00
40_W	165_F	1.792	1.00
62_E	65_A	1.789	1.00
31_T	80_I	1.786	1.00
171_E	174_K	1.760	1.00
21_V	77_H	1.714	1.00
10_I	63_I	1.709	1.00
20_M	159_S	1.703	1.00
64_F	97_L	1.695	1.00
20_M	186_Y	1.693	1.00
186_Y	227_R	1.669	1.00
24_Q	227_R	1.651	1.00
80_I	98_L	1.643	1.00
66_E	70_I	1.636	1.00
165_F	190_G	1.635	1.00
230_P	235_L	1.619	1.00
214_V	236_L	1.617	1.00
12_G	75_F	1.604	1.00
27_M	67_L	1.596	1.00
29_V	67_L	1.581	1.00
22_I	232_L	1.561	1.00
96_E	100_E	1.561	1.00
115_Q	124_L	1.535	1.00
215_D	218_A	1.520	1.00
35_D	87_L	1.509	1.00
58_M	63_I	1.493	1.00
99_K	105_A	1.483	1.00
60_A	97_L	1.437	1.00
43_S	46_T	1.428	1.00
175_T	178_K	1.376	1.00
10_I	27_M	1.358	1.00
167_D	216_K	1.357	1.00
164_I	187_L	1.356	1.00
12_G	25_K	1.353	1.00
60_A	93_A	1.338	1.00
61_E	65_A	1.336	1.00
96_E	99_K	1.329	1.00
170_L	174_K	1.317	1.00
7_V	58_M	1.308	1.00
8_L	49_G	1.270	1.00
67_L	80_I	1.270	1.00
40_W	130_P	1.263	1.00
231_Q	234_T	1.263	1.00
96_E	120_L	1.249	1.00
77_H	104_R	1.247	1.00
95_I	105_A	1.214	0.99
35_D	113_V	1.208	0.99
175_T	179_R	1.198	0.99
188_Q	231_Q	1.197	0.99
132_S	166_N	1.195	0.99
67_L	98_L	1.189	0.99
80_I	91_L	1.189	0.99
77_H	106_A	1.182	0.99
20_M	184_P	1.179	0.99
29_V	78_V	1.174	0.99
44_A	47_W	1.169	0.99
171_E	175_T	1.154	0.99
27_M	70_I	1.150	0.99
64_F	68_K	1.150	0.99
125_T	159_S	1.142	0.99
168_E	171_E	1.140	0.99
31_T	91_L	1.135	0.99
76_S	103_I	1.116	0.99
211_E	214_V	1.116	0.99
37_S	47_W	1.110	0.99
5_I	31_T	1.109	0.99
209_K	212_A	1.106	0.99
56_R	66_E	1.098	0.99
21_V	104_R	1.091	0.99
145_I	149_L	1.084	0.99
97_L	100_E	1.069	0.99
12_G	70_I	1.066	0.98
26_T	106_A	1.062	0.98
97_L	101_N	1.060	0.98
90_Q	93_A	1.052	0.98
91_L	95_I	1.049	0.98
64_F	101_N	1.048	0.98
95_I	118_F	1.042	0.98
12_G	218_A	1.036	0.98
36_Y	110_Q	1.033	0.98
162_V	187_L	1.024	0.98
214_V	218_A	1.016	0.98
42_D	108_E	1.014	0.98
173_A	187_L	1.014	0.98
65_A	101_N	1.009	0.98
106_A	125_T	1.006	0.98
92_D	96_E	1.004	0.98
5_I	60_A	0.989	0.98
126_I	146_L	0.983	0.97
148_S	152_N	0.981	0.97
29_V	80_I	0.975	0.97
123_D	159_S	0.974	0.97
178_K	225_L	0.972	0.97
10_I	58_M	0.967	0.97
79_T	106_A	0.967	0.97
210_Y	214_V	0.962	0.97
78_V	105_A	0.952	0.97
170_L	216_K	0.951	0.97
146_L	149_L	0.942	0.97
24_Q	77_H	0.940	0.97
65_A	68_K	0.932	0.96
132_S	165_F	0.932	0.96
220_D	225_L	0.930	0.96
51_A	66_E	0.919	0.96
92_D	119_T	0.918	0.96
148_S	151_E	0.913	0.96
80_I	105_A	0.904	0.96
177_H	185_F	0.898	0.96
60_A	64_F	0.897	0.96
15_I	214_V	0.896	0.96
14_T	79_T	0.885	0.95
176_V	179_R	0.872	0.95
106_A	159_S	0.866	0.95
30_R	42_D	0.862	0.95
212_A	215_D	0.858	0.94
21_V	24_Q	0.857	0.94
115_Q	136_V	0.856	0.94
93_A	97_L	0.854	0.94
124_L	150_Q	0.847	0.94
99_K	121_I	0.840	0.94
107_L	124_L	0.837	0.94
130_P	172_F	0.819	0.93
62_E	66_E	0.814	0.93
58_M	62_E	0.813	0.93
188_Q	191_N	0.813	0.93
176_V	180_Y	0.813	0.93
63_I	94_F	0.808	0.92
71_G	75_F	0.802	0.92
188_Q	229_L	0.800	0.92
19_G	79_T	0.794	0.92
208_G	212_A	0.794	0.92
8_L	45_F	0.792	0.92
65_A	69_D	0.792	0.92
60_A	94_F	0.785	0.91
86_A	113_V	0.785	0.91
22_I	230_P	0.783	0.91
118_F	124_L	0.781	0.91
68_K	103_I	0.779	0.91
10_I	29_V	0.775	0.91
131_P	168_E	0.774	0.91
187_L	217_V	0.764	0.90
16_Q	128_P	0.755	0.90
81_S	85_P	0.743	0.89
167_D	219_V	0.739	0.89
21_V	125_T	0.739	0.89
174_K	178_K	0.737	0.89
146_L	176_V	0.734	0.88
21_V	106_A	0.734	0.88
11_F	14_T	0.729	0.88
64_F	67_L	0.727	0.88
8_L	46_T	0.727	0.88
31_T	63_I	0.722	0.87
87_L	113_V	0.719	0.87
209_K	213_L	0.717	0.87
95_I	99_K	0.709	0.87
79_T	127_S	0.709	0.87
169_D	177_H	0.709	0.87
7_V	31_T	0.707	0.86
169_D	213_L	0.703	0.86
77_H	107_L	0.699	0.86
220_D	226_V	0.699	0.86
109_T	124_L	0.695	0.85
86_A	107_L	0.693	0.85
63_I	66_E	0.692	0.85
107_L	118_F	0.691	0.85
20_M	125_T	0.690	0.85
181_P	185_F	0.687	0.85
79_T	229_L	0.686	0.85
167_D	212_A	0.685	0.85
51_A	57_W	0.684	0.85
21_V	159_S	0.679	0.84
67_L	78_V	0.677	0.84
5_I	91_L	0.672	0.83
187_L	216_K	0.670	0.83
8_L	32_A	0.669	0.83
159_S	186_Y	0.664	0.83
164_I	169_D	0.664	0.83
174_K	216_K	0.663	0.83
6_P	33_G	0.657	0.82
174_K	226_V	0.654	0.82
16_Q	106_A	0.652	0.82
130_P	190_G	0.651	0.82
36_Y	112_T	0.647	0.81
37_S	132_S	0.643	0.81
164_I	216_K	0.642	0.81
164_I	213_L	0.639	0.80
188_Q	228_V	0.637	0.80
98_L	105_A	0.634	0.80
230_P	234_T	0.633	0.80
10_I	67_L	0.633	0.80
30_R	108_E	0.630	0.79
178_K	219_V	0.628	0.79
48_D	51_A	0.625	0.79
169_D	176_V	0.625	0.79
6_P	56_R	0.625	0.79
16_Q	79_T	0.622	0.79
68_K	76_S	0.619	0.78
192_D	209_K	0.619	0.78
114_Y	135_M	0.618	0.78
28_F	42_D	0.616	0.78
80_I	94_F	0.616	0.78
22_I	229_L	0.615	0.78
24_Q	76_S	0.615	0.78
57_W	66_E	0.607	0.77
145_I	148_S	0.603	0.76
107_L	115_Q	0.598	0.76
104_R	123_D	0.598	0.76
130_P	162_V	0.594	0.75
192_D	195_H	0.590	0.75
99_K	119_T	0.590	0.75
92_D	120_L	0.590	0.75
31_T	106_A	0.589	0.75
190_G	193_D	0.588	0.75
84_N	110_Q	0.587	0.74
65_A	100_E	0.584	0.74
99_K	120_L	0.581	0.74
226_V	229_L	0.578	0.73
191_N	234_T	0.577	0.73
26_T	81_S	0.576	0.73
42_D	161_K	0.575	0.73
5_I	94_F	0.573	0.73
163_V	190_G	0.569	0.72
135_M	138_N	0.568	0.72
78_V	103_I	0.564	0.71
93_A	96_E	0.563	0.71
61_E	101_N	0.562	0.71
107_L	121_I	0.561	0.71
188_Q	214_V	0.561	0.71
146_L	158_V	0.555	0.70
18_E	30_R	0.551	0.70
79_T	123_D	0.550	0.70
63_I	71_G	0.546	0.69
30_R	161_K	0.544	0.69
6_P	57_W	0.542	0.68
45_F	213_L	0.538	0.68
18_E	42_D	0.536	0.68
115_Q	121_I	0.536	0.68
128_P	172_F	0.536	0.68
24_Q	103_I	0.536	0.68
25_K	218_A	0.534	0.67
48_D	52_K	0.534	0.67
134_K	180_Y	0.532	0.67
149_L	152_N	0.532	0.67
70_I	75_F	0.530	0.67
208_G	219_V	0.529	0.67
29_V	63_I	0.528	0.66
65_A	151_E	0.525	0.66
114_Y	148_S	0.525	0.66
169_D	175_T	0.524	0.66
30_R	43_S	0.523	0.66
22_I	210_Y	0.520	0.65
32_A	186_Y	0.519	0.65
152_N	182_G	0.519	0.65
18_E	23_G	0.517	0.65
162_V	169_D	0.517	0.65
210_Y	236_L	0.516	0.65
111_G	126_I	0.515	0.65
21_V	123_D	0.515	0.65
45_F	49_G	0.514	0.64
5_I	93_A	0.513	0.64
39_S	134_K	0.513	0.64
100_E	219_V	0.513	0.64
188_Q	234_T	0.512	0.64
232_L	235_L	0.511	0.64
40_W	229_L	0.509	0.64
44_A	48_D	0.505	0.63
15_I	217_V	0.505	0.63
59_T	65_A	0.503	0.63
162_V	185_F	0.502	0.63
40_W	187_L	0.501	0.62
115_Q	126_I	0.500	0.62

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
4njhA	2	0.8025	100	0.442	Contact Map
3c8fA	1	0.8848	100	0.629	Contact Map
2yx0A	1	0.9383	99.8	0.723	Contact Map
3rfaA	1	0.8971	99.8	0.733	Contact Map
2z2uA	1	0.8642	99.8	0.737	Contact Map
1tv8A	2	0.9053	99.7	0.746	Contact Map
2qgqA	1	0.8107	99.7	0.761	Contact Map
3canA	2	0.5844	99.6	0.765	Contact Map
4k36A	1	0.893	99.6	0.767	Contact Map
2a5hA	4	0.9259	99.6	0.772	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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