QUEC - HALSA - GREMLIN Contacts

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QUEC - 7-cyano-7-deazaguanine synthase

UniProt:	Q9HHN8	Sequences: MSAKRAVVLASGGMDSATAAAVAHNAGYEVYMLHTSYGQQTEHKEHECATAQAAALGAADFLHLTTDHLSKIGASSLTDDEMAVADADMESDEIPTSYVPFRNANLLAMATSYAEANDCEAVFIGAHSEDFSGYPDCQPAFFEAFQQTVAAGTKPDTEISINAPFVDWSKTDIAERGLELGVPYEHTWSCYRAEAPACGTCDACAFRLQAFQNLGERDPIEYAERPSYT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	229 (207)
Sequences:	2265 (1292)
Seq/√Len:	89.8

ECOLI - QUEC
BACSU - QUEC
HALSA - QUEC
SULSO - QUEC

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
176_R	179_E	3.432	1.00
121_A	162_N	3.215	1.00
34_H	46_H	3.000	1.00
36_S	65_T	2.886	1.00
36_S	43_H	2.884	1.00
144_A	148_T	2.654	1.00
172_D	175_E	2.649	1.00
209_Q	213_N	2.624	1.00
5_R	29_E	2.560	1.00
55_A	186_H	2.508	1.00
139_P	143_E	2.499	1.00
34_H	61_F	2.449	1.00
76_S	96_T	2.429	1.00
22_V	176_R	2.376	1.00
126_A	142_F	2.345	1.00
18_T	184_Y	2.333	1.00
127_H	173_I	2.299	1.00
44_K	188_W	2.259	1.00
177_G	184_Y	2.257	1.00
111_T	149_V	2.238	1.00
178_L	216_E	2.007	1.00
208_L	212_Q	1.992	1.00
86_D	192_R	1.981	1.00
32_M	58_A	1.970	1.00
7_V	119_C	1.866	1.00
169_S	172_D	1.848	1.00
62_L	113_Y	1.834	1.00
113_Y	117_N	1.828	1.00
86_D	200_T	1.740	1.00
31_Y	113_Y	1.726	1.00
51_A	186_H	1.697	1.00
21_A	56_L	1.691	1.00
17_A	52_Q	1.689	1.00
143_E	147_Q	1.684	1.00
35_T	106_L	1.641	1.00
175_E	179_E	1.622	1.00
50_T	54_A	1.622	1.00
50_T	63_H	1.616	1.00
25_N	179_E	1.581	1.00
14_M	174_A	1.513	1.00
104_A	141_F	1.493	1.00
31_Y	117_N	1.480	1.00
66_T	109_M	1.449	0.99
105_N	112_S	1.446	0.99
32_M	53_A	1.446	0.99
4_K	28_Y	1.444	0.99
29_E	59_A	1.425	0.99
146_Q	160_S	1.423	0.99
85_A	96_T	1.409	0.99
171_T	213_N	1.407	0.99
4_K	120_E	1.406	0.99
67_D	70_S	1.398	0.99
148_T	152_G	1.380	0.99
142_F	163_A	1.351	0.99
201_C	204_C	1.349	0.99
4_K	121_A	1.345	0.99
44_K	193_A	1.338	0.99
19_A	123_F	1.324	0.99
168_W	176_R	1.315	0.99
197_A	208_L	1.289	0.99
10_A	32_M	1.286	0.99
111_T	148_T	1.285	0.99
111_T	145_F	1.283	0.99
101_F	104_A	1.275	0.99
33_L	113_Y	1.266	0.99
198_C	204_C	1.266	0.99
150_A	158_E	1.257	0.98
26_A	123_F	1.256	0.98
145_F	148_T	1.255	0.98
20_A	30_V	1.233	0.98
22_V	26_A	1.231	0.98
178_L	214_L	1.225	0.98
198_C	201_C	1.220	0.98
25_N	176_R	1.218	0.98
209_Q	212_Q	1.215	0.98
188_W	193_A	1.207	0.98
53_A	58_A	1.205	0.98
190_C	204_C	1.202	0.98
62_L	71_K	1.192	0.98
190_C	198_C	1.188	0.98
67_D	71_K	1.184	0.98
190_C	201_C	1.178	0.98
22_V	25_N	1.171	0.98
24_H	30_V	1.159	0.97
70_S	80_D	1.154	0.97
139_P	167_D	1.151	0.97
121_A	160_S	1.144	0.97
26_A	162_N	1.134	0.97
104_A	152_G	1.131	0.97
146_Q	150_A	1.125	0.97
10_A	17_A	1.120	0.97
21_A	182_V	1.112	0.97
20_A	32_M	1.111	0.97
5_R	119_C	1.110	0.97
145_F	161_I	1.107	0.97
163_A	166_V	1.105	0.96
47_E	50_T	1.077	0.96
211_F	218_D	1.077	0.96
28_Y	123_F	1.073	0.96
20_A	56_L	1.071	0.96
53_A	57_G	1.059	0.95
115_E	153_T	1.058	0.95
82_M	96_T	1.054	0.95
100_P	115_E	1.052	0.95
101_F	112_S	1.038	0.95
22_V	123_F	1.022	0.95
41_T	193_A	1.002	0.94
73_G	79_D	1.001	0.94
182_V	187_T	0.998	0.94
107_L	145_F	0.979	0.93
134_Y	137_C	0.978	0.93
140_A	143_E	0.967	0.93
21_A	180_L	0.965	0.93
51_A	54_A	0.962	0.93
17_A	182_V	0.953	0.92
49_A	61_F	0.951	0.92
44_K	48_C	0.949	0.92
18_T	177_G	0.947	0.92
62_L	117_N	0.944	0.92
97_S	134_Y	0.942	0.92
200_T	205_A	0.934	0.91
8_V	30_V	0.926	0.91
104_A	148_T	0.926	0.91
48_C	52_Q	0.921	0.91
211_F	215_G	0.918	0.91
47_E	51_A	0.914	0.91
177_G	211_F	0.913	0.90
62_L	72_I	0.910	0.90
124_I	142_F	0.900	0.90
79_D	82_M	0.896	0.90
31_Y	62_L	0.893	0.89
49_A	53_A	0.886	0.89
120_E	157_T	0.884	0.89
35_T	109_M	0.880	0.89
104_A	111_T	0.873	0.88
144_A	147_Q	0.871	0.88
31_Y	59_A	0.868	0.88
105_N	109_M	0.866	0.88
131_F	138_Q	0.858	0.88
107_L	124_I	0.857	0.87
174_A	214_L	0.856	0.87
169_S	213_N	0.850	0.87
188_W	195_A	0.845	0.87
205_A	209_Q	0.840	0.86
10_A	53_A	0.836	0.86
128_S	139_P	0.827	0.86
147_Q	151_A	0.826	0.85
123_F	162_N	0.826	0.85
19_A	23_A	0.824	0.85
145_F	149_V	0.823	0.85
188_W	210_A	0.821	0.85
75_S	78_T	0.821	0.85
52_Q	55_A	0.820	0.85
187_T	207_R	0.813	0.85
5_R	118_D	0.810	0.84
17_A	187_T	0.810	0.84
189_S	203_A	0.810	0.84
69_L	73_G	0.809	0.84
100_P	157_T	0.799	0.84
175_E	213_N	0.794	0.83
27_G	121_A	0.786	0.83
130_D	137_C	0.786	0.83
147_Q	150_A	0.783	0.82
55_A	185_E	0.777	0.82
43_H	47_E	0.774	0.82
104_A	108_A	0.773	0.81
133_G	206_F	0.773	0.81
48_C	51_A	0.771	0.81
148_T	159_I	0.768	0.81
135_P	173_I	0.768	0.81
33_L	110_A	0.767	0.81
206_F	210_A	0.764	0.81
33_L	64_L	0.762	0.81
95_P	133_G	0.760	0.80
101_F	153_T	0.759	0.80
89_M	205_A	0.758	0.80
51_A	55_A	0.755	0.80
74_A	79_D	0.751	0.80
194_E	197_A	0.751	0.80
171_T	175_E	0.749	0.79
143_E	146_Q	0.748	0.79
165_F	176_R	0.745	0.79
34_H	41_T	0.741	0.79
64_L	109_M	0.728	0.77
120_E	162_N	0.725	0.77
141_F	145_F	0.724	0.77
19_A	165_F	0.721	0.77
148_T	151_A	0.717	0.76
147_Q	160_S	0.715	0.76
142_F	166_V	0.711	0.76
134_Y	191_Y	0.709	0.76
178_L	184_Y	0.703	0.75
6_A	28_Y	0.697	0.74
107_L	142_F	0.696	0.74
86_D	193_A	0.692	0.74
35_T	66_T	0.689	0.73
44_K	195_A	0.688	0.73
184_Y	211_F	0.685	0.73
46_H	61_F	0.684	0.73
208_L	217_R	0.675	0.72
28_Y	121_A	0.673	0.72
76_S	82_M	0.673	0.72
6_A	123_F	0.672	0.72
149_V	161_I	0.671	0.72
175_E	214_L	0.671	0.72
188_W	192_R	0.671	0.72
76_S	97_S	0.669	0.71
85_A	97_S	0.669	0.71
137_C	191_Y	0.668	0.71
174_A	211_F	0.665	0.71
168_W	172_D	0.663	0.71
192_R	200_T	0.661	0.70
144_A	151_A	0.659	0.70
23_A	123_F	0.659	0.70
10_A	20_A	0.658	0.70
175_E	178_L	0.657	0.70
122_V	161_I	0.656	0.70
130_D	138_Q	0.655	0.70
36_S	46_H	0.649	0.69
126_A	163_A	0.648	0.69
50_T	61_F	0.648	0.69
78_T	82_M	0.648	0.69
46_H	63_H	0.647	0.69
27_G	162_N	0.638	0.68
124_I	163_A	0.632	0.67
8_V	20_A	0.630	0.67
130_D	134_Y	0.630	0.67
34_H	49_A	0.629	0.67
94_I	154_K	0.628	0.66
120_E	159_I	0.624	0.66
84_V	192_R	0.624	0.66
19_A	22_V	0.622	0.66
17_A	21_A	0.621	0.66
97_S	137_C	0.620	0.65
132_S	154_K	0.619	0.65
8_V	23_A	0.617	0.65
24_H	58_A	0.616	0.65
171_T	210_A	0.615	0.65
215_G	218_D	0.614	0.65
32_M	61_F	0.613	0.65
7_V	113_Y	0.609	0.64
44_K	47_E	0.605	0.64
101_F	152_G	0.598	0.63
59_A	175_E	0.597	0.63
118_D	121_A	0.596	0.62
55_A	183_P	0.595	0.62
94_I	131_F	0.594	0.62
174_A	184_Y	0.590	0.62
165_F	210_A	0.588	0.61
69_L	112_S	0.585	0.61
8_V	19_A	0.584	0.61
69_L	109_M	0.584	0.61
26_A	176_R	0.583	0.61
174_A	183_P	0.582	0.61
41_T	137_C	0.578	0.60
18_T	180_L	0.578	0.60
141_F	151_A	0.576	0.60
40_Q	84_V	0.573	0.59
208_L	216_E	0.573	0.59
84_V	96_T	0.572	0.59
99_V	191_Y	0.571	0.59
19_A	69_L	0.570	0.59
44_K	194_E	0.569	0.59
149_V	152_G	0.566	0.59
41_T	130_D	0.566	0.59
185_E	215_G	0.563	0.58
46_H	50_T	0.560	0.58
107_L	161_I	0.556	0.57
189_S	198_C	0.555	0.57
122_V	159_I	0.551	0.56
35_T	63_H	0.551	0.56
120_E	160_S	0.550	0.56
41_T	97_S	0.549	0.56
98_Y	133_G	0.543	0.55
11_S	16_S	0.542	0.55
94_I	98_Y	0.542	0.55
74_A	116_A	0.539	0.55
86_D	205_A	0.539	0.55
19_A	125_G	0.536	0.54
37_Y	102_R	0.536	0.54
48_C	188_W	0.535	0.54
21_A	55_A	0.530	0.54
165_F	168_W	0.530	0.54
191_Y	203_A	0.528	0.53
52_Q	182_V	0.528	0.53
9_L	35_T	0.527	0.53
18_T	67_D	0.525	0.53
65_T	70_S	0.525	0.53
95_P	132_S	0.524	0.53
122_V	142_F	0.522	0.53
178_L	197_A	0.521	0.52
125_G	203_A	0.518	0.52
111_T	141_F	0.518	0.52
97_S	191_Y	0.517	0.52
70_S	73_G	0.516	0.52
147_Q	158_E	0.516	0.52
140_A	158_E	0.513	0.51
115_E	154_K	0.512	0.51
94_I	202_D	0.511	0.51
94_I	133_G	0.511	0.51
92_D	216_E	0.511	0.51
72_I	112_S	0.507	0.50
207_R	211_F	0.507	0.50
13_G	16_S	0.507	0.50
89_M	92_D	0.507	0.50
199_G	204_C	0.505	0.50
99_V	137_C	0.502	0.50
118_D	157_T	0.501	0.50
202_D	206_F	0.500	0.50
132_S	206_F	0.500	0.50

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
2pg3A	2	0.9301	100	0.426	Contact Map
3bl5A	3	0.8341	100	0.529	Contact Map
4xfjA	4	0.8515	99.9	0.689	Contact Map
1vl2A	4	0.8777	99.9	0.694	Contact Map
1k92A	4	0.9214	99.9	0.705	Contact Map
3k32A	2	0.821	99.9	0.708	Contact Map
1korA	4	0.8253	99.9	0.709	Contact Map
4nzpA	4	0.8428	99.9	0.711	Contact Map
3rjzA	2	0.7249	99.9	0.719	Contact Map
2hmaA	2	0.917	99.9	0.719	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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