QUEC - BACSU - GREMLIN Contacts

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QUEC - 7-cyano-7-deazaguanine synthase

UniProt:	O31675	Sequences: MKKEKAIVVFSGGQDSTTCLLWALKEFEEVETVTFHYNQRHSQEVEVAKSIAEKLGVKNHLLDMSLLNQLAPNALTRNDIEIEVKDGELPSTFVPGRNLVFLSFASILAYQIGARHIITGVCETDFSGYPDCRDEFVKSCNVTVNLAMEKPFVIHTPLMWLNKAETWKLADELGALDFVKNNTLTCYNGIIADGCGECPACHLRSKGYEEYMVMKGERA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	219 (204)
Sequences:	2267 (1321)
Seq/√Len:	92.5

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
169_L	172_E	3.563	1.00
116_H	155_H	3.349	1.00
34_T	45_V	3.154	1.00
36_H	42_S	2.939	1.00
36_H	63_D	2.875	1.00
139_S	143_T	2.776	1.00
165_E	168_K	2.738	1.00
206_K	210_E	2.705	1.00
54_K	182_N	2.682	1.00
5_K	29_E	2.630	1.00
134_D	138_K	2.569	1.00
74_A	91_S	2.548	1.00
122_C	166_T	2.436	1.00
22_W	169_L	2.422	1.00
43_Q	184_L	2.387	1.00
121_V	137_V	2.363	1.00
106_S	144_V	2.283	1.00
190_I	193_D	2.222	1.00
171_D	213_V	2.095	1.00
205_S	209_E	2.054	1.00
108_L	112_I	1.961	1.00
32_T	57_V	1.930	1.00
7_I	114_A	1.923	1.00
162_N	165_E	1.869	1.00
21_L	55_L	1.810	1.00
31_E	108_L	1.788	1.00
17_T	51_I	1.784	1.00
138_K	142_V	1.781	1.00
29_E	58_K	1.713	1.00
50_S	182_N	1.706	1.00
35_F	101_F	1.681	1.00
168_K	172_E	1.655	1.00
25_K	172_E	1.654	1.00
49_K	61_L	1.653	1.00
49_K	53_E	1.642	1.00
194_G	205_S	1.604	1.00
31_E	112_I	1.596	1.00
34_T	59_N	1.548	1.00
99_L	136_F	1.524	1.00
100_V	107_I	1.522	1.00
64_M	104_F	1.520	1.00
14_Q	167_W	1.512	1.00
32_T	52_A	1.497	1.00
143_T	147_A	1.480	1.00
164_A	210_E	1.476	1.00
65_S	68_N	1.448	1.00
4_E	28_E	1.439	0.99
141_N	153_V	1.428	0.99
198_C	201_C	1.412	0.99
189_G	192_A	1.402	0.99
43_Q	189_G	1.397	0.99
10_F	32_T	1.376	0.99
4_E	116_H	1.365	0.99
161_L	169_L	1.364	0.99
19_C	118_I	1.364	0.99
137_V	156_T	1.363	0.99
21_L	175_A	1.353	0.99
4_E	115_R	1.351	0.99
195_C	201_C	1.318	0.99
20_L	30_V	1.316	0.99
106_S	140_C	1.310	0.99
96_G	99_L	1.307	0.99
26_E	118_I	1.288	0.99
195_C	198_C	1.272	0.99
171_D	211_Y	1.269	0.99
140_C	143_T	1.268	0.99
106_S	143_T	1.261	0.99
145_N	151_P	1.260	0.99
184_L	189_G	1.249	0.99
186_C	201_C	1.243	0.98
17_T	175_A	1.240	0.98
22_W	26_E	1.236	0.98
33_V	108_L	1.230	0.98
25_K	169_L	1.228	0.98
186_C	195_C	1.223	0.98
186_C	198_C	1.220	0.98
206_K	209_E	1.219	0.98
208_Y	215_K	1.217	0.98
26_E	155_H	1.212	0.98
24_L	30_V	1.194	0.98
22_W	25_K	1.194	0.98
52_A	57_V	1.174	0.98
134_D	160_W	1.166	0.98
20_L	32_T	1.162	0.98
65_S	69_Q	1.157	0.98
116_H	153_V	1.156	0.98
46_E	49_K	1.153	0.98
80_I	91_S	1.152	0.97
52_A	56_G	1.147	0.97
141_N	145_N	1.146	0.97
99_L	147_A	1.141	0.97
140_C	154_I	1.125	0.97
156_T	159_M	1.097	0.97
208_Y	212_M	1.091	0.97
5_K	114_A	1.083	0.96
20_L	55_L	1.076	0.96
110_Y	148_M	1.073	0.96
43_Q	47_V	1.060	0.96
71_A	77_R	1.058	0.96
28_E	118_I	1.056	0.96
96_G	107_I	1.050	0.96
95_P	110_Y	1.041	0.95
22_W	118_I	1.035	0.95
10_F	17_T	1.034	0.95
77_R	80_I	1.034	0.95
50_S	53_E	1.028	0.95
41_H	189_G	1.024	0.95
170_A	208_Y	1.018	0.95
129_Y	132_C	1.004	0.94
175_A	183_T	0.986	0.94
135_E	138_K	0.981	0.94
47_V	51_I	0.980	0.94
102_L	140_C	0.976	0.94
99_L	143_T	0.963	0.93
197_E	202_H	0.961	0.93
92_T	129_Y	0.959	0.93
48_A	52_A	0.959	0.93
167_W	211_Y	0.950	0.93
18_T	170_A	0.945	0.92
83_E	202_H	0.924	0.92
46_E	50_S	0.902	0.91
118_I	155_H	0.901	0.91
8_V	30_V	0.893	0.90
184_L	207_G	0.891	0.90
35_F	104_F	0.890	0.90
139_S	142_V	0.890	0.90
202_H	206_K	0.886	0.90
99_L	106_S	0.885	0.90
10_F	52_A	0.882	0.90
115_R	150_K	0.882	0.90
60_H	108_L	0.879	0.89
102_L	119_T	0.878	0.89
100_V	104_F	0.877	0.89
119_T	137_V	0.876	0.89
54_K	181_N	0.870	0.89
142_V	146_L	0.865	0.89
42_S	46_E	0.863	0.89
126_F	133_R	0.859	0.88
123_E	134_D	0.854	0.88
168_K	210_E	0.851	0.88
185_T	200_A	0.851	0.88
51_I	54_K	0.847	0.88
21_L	173_L	0.843	0.87
76_T	80_I	0.838	0.87
183_T	204_R	0.830	0.87
162_N	210_E	0.826	0.86
140_C	144_V	0.818	0.86
83_E	86_D	0.815	0.86
125_D	132_C	0.806	0.85
34_T	41_H	0.800	0.85
31_E	59_N	0.797	0.84
19_C	158_L	0.796	0.84
50_S	54_K	0.795	0.84
17_T	183_T	0.790	0.84
142_V	145_N	0.787	0.84
184_L	188_N	0.787	0.84
130_P	166_T	0.787	0.84
33_V	105_A	0.781	0.83
47_V	50_S	0.765	0.82
96_G	148_M	0.765	0.82
19_C	23_A	0.764	0.82
5_K	113_G	0.764	0.82
90_P	128_G	0.763	0.82
128_G	203_L	0.763	0.82
73_N	76_T	0.761	0.81
203_L	207_G	0.760	0.81
72_P	77_R	0.757	0.81
137_V	159_M	0.755	0.81
143_T	152_F	0.755	0.81
33_V	62_L	0.754	0.81
115_R	155_H	0.752	0.81
129_Y	187_Y	0.747	0.80
188_N	197_E	0.743	0.80
212_M	215_K	0.742	0.80
67_L	71_A	0.738	0.79
27_F	116_H	0.736	0.79
164_A	168_K	0.735	0.79
142_V	153_V	0.732	0.79
10_F	20_L	0.727	0.78
84_V	202_H	0.725	0.78
43_Q	190_I	0.722	0.78
158_L	169_L	0.721	0.78
31_E	58_K	0.718	0.78
95_P	150_K	0.717	0.77
6_A	118_I	0.715	0.77
167_W	208_Y	0.713	0.77
23_A	118_I	0.712	0.77
117_I	154_I	0.711	0.77
136_F	140_C	0.707	0.76
143_T	146_L	0.706	0.76
18_T	173_L	0.705	0.76
205_S	214_M	0.705	0.76
132_C	187_Y	0.700	0.76
34_T	48_A	0.699	0.76
99_L	103_S	0.693	0.75
6_A	28_E	0.688	0.75
8_V	20_L	0.687	0.74
45_V	61_L	0.685	0.74
62_L	104_F	0.682	0.74
115_R	152_F	0.679	0.74
102_L	137_V	0.677	0.73
139_S	146_L	0.675	0.73
168_K	211_Y	0.670	0.73
127_S	149_E	0.670	0.73
125_D	133_R	0.670	0.73
121_V	156_T	0.668	0.72
74_A	92_T	0.667	0.72
40_R	82_I	0.666	0.72
138_K	141_N	0.665	0.72
82_I	91_S	0.654	0.71
27_F	155_H	0.654	0.71
36_H	45_V	0.652	0.71
119_T	156_T	0.646	0.70
84_V	87_G	0.643	0.69
92_T	132_C	0.642	0.69
184_L	192_A	0.640	0.69
43_Q	192_A	0.636	0.69
168_K	171_D	0.633	0.68
125_D	129_Y	0.628	0.68
60_H	112_I	0.625	0.67
82_I	188_N	0.624	0.67
17_T	21_L	0.623	0.67
19_C	22_W	0.623	0.67
35_F	64_M	0.623	0.67
35_F	61_L	0.621	0.67
96_G	147_A	0.620	0.67
184_L	190_I	0.619	0.67
113_G	116_H	0.612	0.66
83_E	88_E	0.609	0.65
158_L	207_G	0.607	0.65
144_V	154_I	0.607	0.65
205_S	213_V	0.605	0.65
67_L	104_F	0.602	0.64
70_L	107_I	0.601	0.64
8_V	23_A	0.600	0.64
43_Q	46_E	0.599	0.64
63_D	68_N	0.598	0.64
37_Y	97_R	0.590	0.63
94_V	187_Y	0.589	0.63
161_L	165_E	0.586	0.62
181_N	212_M	0.585	0.62
58_K	112_I	0.580	0.62
164_A	207_G	0.580	0.62
45_V	49_K	0.577	0.61
41_H	92_T	0.576	0.61
185_T	195_C	0.571	0.60
183_T	208_Y	0.570	0.60
41_H	132_C	0.570	0.60
85_K	88_E	0.567	0.60
89_L	126_F	0.566	0.60
21_L	54_K	0.565	0.60
31_E	60_H	0.564	0.59
11_S	16_S	0.564	0.59
18_T	65_S	0.562	0.59
47_V	184_L	0.558	0.59
141_N	151_P	0.558	0.59
8_V	19_C	0.558	0.59
20_L	57_V	0.556	0.58
102_L	154_I	0.556	0.58
187_Y	200_A	0.555	0.58
7_I	108_L	0.552	0.58
26_E	169_L	0.550	0.58
106_S	136_F	0.549	0.57
117_I	152_F	0.548	0.57
144_V	147_A	0.548	0.57
142_V	151_P	0.547	0.57
136_F	146_L	0.543	0.57
89_L	149_E	0.541	0.56
28_E	116_H	0.541	0.56
41_H	125_D	0.539	0.56
72_P	80_I	0.539	0.56
92_T	187_Y	0.537	0.56
75_L	94_V	0.537	0.56
19_C	120_G	0.534	0.55
113_G	145_N	0.533	0.55
171_D	194_G	0.532	0.55
72_P	111_Q	0.531	0.55
24_L	57_V	0.531	0.55
74_A	80_I	0.531	0.55
43_Q	188_N	0.531	0.55
67_L	70_L	0.529	0.55
13_G	16_S	0.525	0.54
174_G	181_N	0.524	0.54
19_C	28_E	0.523	0.54
89_L	93_F	0.522	0.54
94_V	132_C	0.518	0.53
93_F	128_G	0.516	0.53
208_Y	213_V	0.516	0.53
68_N	71_A	0.515	0.53
18_T	167_W	0.514	0.53
102_L	121_V	0.513	0.52
90_P	127_S	0.511	0.52
59_N	108_L	0.510	0.52
19_C	67_L	0.510	0.52
204_R	208_Y	0.510	0.52
115_R	153_V	0.509	0.52
58_K	168_K	0.509	0.52
60_H	67_L	0.508	0.52
211_Y	215_K	0.508	0.52
135_E	146_L	0.507	0.52
120_G	200_A	0.507	0.52
9_V	35_F	0.505	0.51
41_H	48_A	0.502	0.51
10_F	51_I	0.501	0.51
102_L	143_T	0.500	0.51
196_G	201_C	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
2pg3A	2	0.9543	100	0.4	Contact Map
3bl5A	3	0.8767	100	0.509	Contact Map
1vl2A	4	0.8904	99.9	0.682	Contact Map
4xfjA	4	0.895	99.9	0.684	Contact Map
1k92A	4	0.9269	99.9	0.688	Contact Map
3k32A	2	0.8265	99.9	0.695	Contact Map
1korA	4	0.863	99.9	0.705	Contact Map
3rjzA	2	0.726	99.9	0.706	Contact Map
4nzpA	4	0.8447	99.9	0.707	Contact Map
2hmaA	2	0.9178	99.9	0.708	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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