MHQE - BACSU - GREMLIN Contacts

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MHQE - Putative ring-cleaving dioxygenase MhqE

UniProt:	O34543	Sequences: MKTEGLHHVTAFARDPQENLRFYTEVLGLRLVKKTVNFDDPGTYHFYFGNQNGDPGTIMTFFPFQGSGQGTVGKGQAGRVYFSVPSGSLSFWKERLEKSGLSLEEKTLFGEKGLIFDDTEDLPLAIMEDAKSGKSEWTPDGITTNEAITGMKGVLLYSYDPQATIQLLTESFGYTKVAEEDQIVRLASSAAVGGVIDVHLHPEKRGVGGYGTVHHVAFRTKKKEQAKWLPIIAENHLPSSEILDREYFTSVYFREKGGILFEIATDEPGFMTDETFAELGTSLKLPEWLEKHRQQITDILPEL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	303 (300)
Sequences:	1303 (865)
Seq/√Len:	49.9

BACSU - MHQE MHQO MHQA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
88_S	146_E	4.335	1.00
59_M	82_F	4.052	1.00
84_V	89_L	4.028	1.00
278_E	281_T	3.773	1.00
93_K	105_E	3.689	1.00
17_Q	21_R	3.619	1.00
50_N	54_D	3.533	1.00
219_R	266_D	3.531	1.00
165_I	186_L	3.460	1.00
21_R	25_E	3.307	1.00
250_S	264_A	3.257	1.00
154_V	216_V	3.097	1.00
223_K	249_T	2.924	1.00
9_V	154_V	2.859	1.00
176_K	179_E	2.818	1.00
275_T	278_E	2.730	1.00
271_M	276_F	2.657	1.00
91_F	142_I	2.524	1.00
220_T	263_I	2.504	1.00
87_G	128_E	2.493	1.00
96_L	103_L	2.457	1.00
91_F	95_R	2.445	1.00
4_E	221_K	2.273	1.00
70_G	212_T	2.253	1.00
185_R	197_D	2.238	1.00
12_F	67_S	2.228	1.00
94_E	98_K	2.224	1.00
49_G	58_I	2.192	1.00
47_Y	58_I	2.191	1.00
176_K	186_L	2.182	1.00
175_T	187_A	2.113	1.00
18_E	120_E	2.073	1.00
107_T	112_K	2.056	1.00
177_V	187_A	1.985	1.00
26_V	99_S	1.943	0.99
292_H	295_Q	1.912	0.99
226_A	242_I	1.899	0.99
161_P	200_L	1.876	0.99
86_S	130_A	1.810	0.99
29_L	82_F	1.804	0.99
290_E	293_R	1.792	0.99
108_L	125_A	1.786	0.99
67_S	210_Y	1.786	0.99
254_R	260_L	1.782	0.99
166_Q	170_E	1.762	0.99
174_Y	188_S	1.742	0.99
285_L	293_R	1.715	0.99
38_F	47_Y	1.683	0.98
143_T	146_E	1.677	0.98
102_S	117_D	1.666	0.98
82_F	151_M	1.643	0.98
176_K	184_V	1.618	0.98
165_I	198_V	1.609	0.98
72_V	117_D	1.602	0.98
23_Y	124_L	1.589	0.98
223_K	226_A	1.586	0.98
78_G	157_Y	1.568	0.97
40_D	43_T	1.548	0.97
19_N	48_F	1.536	0.97
47_Y	247_Y	1.535	0.97
84_V	126_I	1.516	0.97
74_K	159_Y	1.511	0.97
15_D	65_Q	1.507	0.97
104_E	115_I	1.489	0.96
222_K	225_Q	1.489	0.96
86_S	128_E	1.488	0.96
12_F	40_D	1.476	0.96
183_I	199_H	1.475	0.96
224_E	227_K	1.460	0.96
35_T	247_Y	1.450	0.96
229_L	233_A	1.443	0.96
14_R	210_Y	1.437	0.96
289_L	292_H	1.433	0.96
11_A	122_L	1.419	0.95
30_R	137_W	1.374	0.94
51_Q	276_F	1.373	0.94
221_K	225_Q	1.364	0.94
36_V	289_L	1.348	0.94
165_I	176_K	1.338	0.94
26_V	119_T	1.337	0.93
179_E	184_V	1.337	0.93
20_L	31_L	1.333	0.93
13_A	16_P	1.330	0.93
111_E	197_D	1.330	0.93
9_V	80_V	1.318	0.93
43_T	64_F	1.312	0.93
174_Y	218_F	1.309	0.93
253_F	263_I	1.304	0.93
90_S	94_E	1.296	0.92
246_E	287_E	1.295	0.92
167_L	172_F	1.295	0.92
35_T	38_F	1.291	0.92
180_E	197_D	1.281	0.92
247_Y	284_K	1.275	0.92
19_N	61_F	1.273	0.92
104_E	117_D	1.270	0.92
156_L	164_T	1.256	0.91
239_S	251_V	1.250	0.91
31_L	46_F	1.248	0.91
93_K	97_E	1.242	0.91
77_A	259_I	1.239	0.91
97_E	103_L	1.235	0.90
231_I	235_N	1.228	0.90
111_E	185_R	1.221	0.90
52_N	276_F	1.212	0.90
273_D	279_L	1.207	0.89
83_S	129_D	1.205	0.89
32_V	49_G	1.197	0.89
111_E	195_V	1.193	0.89
93_K	114_L	1.189	0.89
220_T	225_Q	1.176	0.88
161_P	184_V	1.167	0.88
230_P	234_E	1.165	0.88
14_R	120_E	1.164	0.88
81_Y	127_M	1.161	0.87
15_D	18_E	1.158	0.87
180_E	185_R	1.150	0.87
33_K	274_E	1.145	0.87
82_F	148_I	1.139	0.86
91_F	143_T	1.135	0.86
38_F	246_E	1.128	0.86
13_A	63_P	1.126	0.86
292_H	296_I	1.122	0.86
83_S	152_K	1.106	0.85
229_L	243_L	1.106	0.85
96_L	126_I	1.094	0.84
295_Q	299_I	1.089	0.84
50_N	53_G	1.087	0.84
156_L	259_I	1.087	0.84
23_Y	61_F	1.079	0.83
77_A	213_V	1.077	0.83
12_F	64_F	1.072	0.83
247_Y	270_F	1.070	0.83
107_T	110_G	1.069	0.83
10_T	64_F	1.051	0.82
208_G	212_T	1.045	0.81
196_I	218_F	1.042	0.81
11_A	59_M	1.041	0.81
230_P	233_A	1.035	0.81
90_S	93_K	1.033	0.80
228_W	263_I	1.031	0.80
115_I	125_A	1.030	0.80
168_L	261_F	1.028	0.80
16_P	46_F	1.027	0.80
38_F	284_K	1.025	0.80
27_L	148_I	1.021	0.80
81_Y	155_L	1.018	0.79
40_D	64_F	1.014	0.79
16_P	43_T	1.009	0.79
80_V	213_V	1.006	0.79
10_T	43_T	1.004	0.79
9_V	151_M	0.982	0.77
81_Y	152_K	0.980	0.77
38_F	58_I	0.979	0.77
128_E	193_G	0.974	0.76
291_K	296_I	0.966	0.76
271_M	279_L	0.965	0.76
76_Q	206_G	0.962	0.76
229_L	242_I	0.959	0.75
285_L	290_E	0.956	0.75
96_L	99_S	0.955	0.75
79_R	125_A	0.955	0.75
33_K	247_Y	0.953	0.75
94_E	97_E	0.949	0.75
36_V	285_L	0.944	0.74
140_D	147_A	0.939	0.74
18_E	21_R	0.935	0.73
293_R	297_T	0.934	0.73
53_G	57_T	0.930	0.73
34_K	44_Y	0.924	0.73
113_G	125_A	0.919	0.72
164_T	255_E	0.909	0.71
6_L	77_A	0.895	0.70
290_E	296_I	0.895	0.70
71_T	207_V	0.894	0.70
50_N	55_P	0.877	0.69
50_N	276_F	0.876	0.68
269_G	280_G	0.876	0.68
43_T	63_P	0.875	0.68
12_F	208_G	0.875	0.68
243_L	251_V	0.874	0.68
38_F	243_L	0.865	0.67
139_P	142_I	0.863	0.67
37_N	62_F	0.858	0.67
226_A	229_L	0.856	0.67
227_K	230_P	0.853	0.66
246_E	284_K	0.853	0.66
91_F	146_E	0.849	0.66
185_R	195_V	0.847	0.66
112_K	128_E	0.845	0.66
47_Y	284_K	0.845	0.66
35_T	58_I	0.843	0.65
12_F	43_T	0.841	0.65
194_G	228_W	0.838	0.65
39_D	44_Y	0.834	0.65
83_S	134_K	0.829	0.64
241_E	246_E	0.827	0.64
217_A	264_A	0.827	0.64
14_R	57_T	0.819	0.63
79_R	117_D	0.819	0.63
162_Q	166_Q	0.819	0.63
91_F	139_P	0.817	0.63
91_F	140_D	0.816	0.63
91_F	141_G	0.813	0.63
117_D	123_P	0.808	0.62
13_A	46_F	0.803	0.62
274_E	279_L	0.802	0.62
16_P	34_K	0.801	0.61
229_L	240_S	0.795	0.61
46_F	127_M	0.793	0.61
217_A	250_S	0.788	0.60
244_D	288_W	0.787	0.60
117_D	121_D	0.785	0.60
165_I	169_T	0.784	0.60
159_Y	203_E	0.783	0.60
63_P	301_P	0.782	0.60
109_F	180_E	0.778	0.59
288_W	291_K	0.776	0.59
19_N	255_E	0.771	0.58
52_N	271_M	0.770	0.58
295_Q	298_D	0.770	0.58
33_K	273_D	0.765	0.58
21_R	183_I	0.764	0.58
15_D	301_P	0.762	0.58
138_T	144_T	0.760	0.57
95_R	99_S	0.756	0.57
229_L	239_S	0.756	0.57
30_R	281_T	0.752	0.57
39_D	213_V	0.752	0.57
248_F	252_Y	0.747	0.56
39_D	62_F	0.744	0.56
105_E	114_L	0.741	0.55
222_K	267_E	0.741	0.55
68_G	71_T	0.739	0.55
120_E	210_Y	0.738	0.55
44_Y	214_H	0.735	0.55
108_L	197_D	0.735	0.55
70_G	206_G	0.734	0.55
288_W	296_I	0.730	0.54
294_Q	298_D	0.730	0.54
72_V	76_Q	0.729	0.54
23_Y	59_M	0.726	0.54
5_G	28_G	0.726	0.54
3_T	188_S	0.726	0.54
36_V	293_R	0.724	0.54
242_I	249_T	0.722	0.54
180_E	183_I	0.720	0.53
36_V	288_W	0.713	0.53
20_L	220_T	0.709	0.52
171_S	231_I	0.707	0.52
96_L	101_L	0.704	0.52
92_W	217_A	0.700	0.51
179_E	182_Q	0.699	0.51
32_V	279_L	0.695	0.51
4_E	220_T	0.695	0.51
246_E	288_W	0.694	0.51
98_K	103_L	0.689	0.50
172_F	231_I	0.684	0.50
104_E	114_L	0.683	0.50
80_V	122_L	0.680	0.49
109_F	178_A	0.673	0.49
38_F	241_E	0.672	0.48
72_V	212_T	0.672	0.48
35_T	284_K	0.672	0.48
155_L	199_H	0.671	0.48
255_E	258_G	0.671	0.48
158_S	161_P	0.670	0.48
25_E	99_S	0.669	0.48
283_L	297_T	0.668	0.48
250_S	267_E	0.666	0.48
32_V	280_G	0.663	0.48
167_L	253_F	0.660	0.47
289_L	296_I	0.660	0.47
273_D	280_G	0.659	0.47
59_M	80_V	0.659	0.47
17_Q	26_V	0.658	0.47
61_F	268_P	0.658	0.47
177_V	195_V	0.657	0.47
166_Q	235_N	0.656	0.47
72_V	123_P	0.654	0.47
105_E	112_K	0.653	0.46
247_Y	280_G	0.653	0.46
75_G	159_Y	0.652	0.46
23_Y	118_D	0.648	0.46
176_K	198_V	0.647	0.46
240_S	260_L	0.644	0.46
88_S	95_R	0.641	0.45
54_D	106_K	0.640	0.45
250_S	272_T	0.639	0.45
69_Q	210_Y	0.639	0.45
253_F	261_F	0.638	0.45
232_I	253_F	0.638	0.45
70_G	147_A	0.637	0.45
64_F	210_Y	0.635	0.45
206_G	212_T	0.635	0.45
256_K	259_I	0.635	0.45
68_G	210_Y	0.634	0.45
50_N	56_G	0.632	0.44
94_E	144_T	0.632	0.44
138_T	143_T	0.631	0.44
38_F	247_Y	0.630	0.44
154_V	196_I	0.629	0.44
172_F	226_A	0.628	0.44
167_L	256_K	0.627	0.44
71_T	114_L	0.626	0.44
76_Q	122_L	0.626	0.44
96_L	124_L	0.625	0.44
37_N	293_R	0.624	0.44
229_L	251_V	0.622	0.43
154_V	174_Y	0.622	0.43
246_E	296_I	0.622	0.43
76_Q	212_T	0.621	0.43
133_G	149_T	0.620	0.43
236_H	239_S	0.620	0.43
55_P	219_R	0.619	0.43
13_A	120_E	0.619	0.43
31_L	172_F	0.618	0.43
144_T	149_T	0.615	0.43
132_S	149_T	0.614	0.43
182_Q	201_H	0.608	0.42
30_R	279_L	0.608	0.42
48_F	212_T	0.608	0.42
6_L	151_M	0.607	0.42
43_T	210_Y	0.603	0.41
171_S	198_V	0.602	0.41
10_T	206_G	0.602	0.41
247_Y	274_E	0.600	0.41
249_T	263_I	0.598	0.41
17_Q	25_E	0.598	0.41
57_T	194_G	0.597	0.41
19_N	120_E	0.597	0.41
45_H	60_T	0.594	0.41
20_L	24_T	0.592	0.40
121_D	260_L	0.591	0.40
82_F	259_I	0.590	0.40
207_V	296_I	0.587	0.40
167_L	198_V	0.587	0.40
158_S	191_A	0.586	0.40
75_G	240_S	0.586	0.40
84_V	154_V	0.582	0.39
164_T	257_G	0.582	0.39
64_F	208_G	0.581	0.39
170_E	198_V	0.580	0.39
17_Q	301_P	0.580	0.39
42_G	230_P	0.579	0.39
99_S	142_I	0.578	0.39
275_T	281_T	0.578	0.39
95_R	103_L	0.576	0.39
123_P	219_R	0.574	0.39
158_S	163_A	0.572	0.38
288_W	292_H	0.572	0.38
6_L	116_F	0.571	0.38
189_S	275_T	0.570	0.38
3_T	220_T	0.568	0.38
51_Q	147_A	0.568	0.38
213_V	251_V	0.567	0.38
84_V	93_K	0.567	0.38
160_D	166_Q	0.567	0.38
293_R	296_I	0.566	0.38
233_A	236_H	0.565	0.38
239_S	243_L	0.564	0.38
246_E	272_T	0.563	0.38
21_R	26_V	0.563	0.38
187_A	195_V	0.562	0.37
84_V	114_L	0.562	0.37
114_L	298_D	0.562	0.37
253_F	260_L	0.561	0.37
269_G	273_D	0.560	0.37
100_G	130_A	0.557	0.37
6_L	174_Y	0.555	0.37
81_Y	153_G	0.555	0.37
63_P	257_G	0.554	0.37
276_F	279_L	0.553	0.37
108_L	113_G	0.553	0.37
58_I	270_F	0.552	0.36
164_T	216_V	0.551	0.36
85_P	148_I	0.550	0.36
6_L	216_V	0.550	0.36
167_L	232_I	0.549	0.36
104_E	181_D	0.549	0.36
218_F	261_F	0.549	0.36
168_L	198_V	0.549	0.36
62_F	296_I	0.546	0.36
70_G	125_A	0.545	0.36
49_G	267_E	0.544	0.36
58_I	246_E	0.544	0.36
88_S	103_L	0.544	0.36
47_Y	63_P	0.542	0.36
220_T	250_S	0.542	0.36
124_L	156_L	0.541	0.35
11_A	213_V	0.539	0.35
36_V	43_T	0.539	0.35
11_A	193_G	0.538	0.35
252_Y	262_E	0.538	0.35
164_T	197_D	0.537	0.35
28_G	50_N	0.537	0.35
162_Q	200_L	0.537	0.35
36_V	290_E	0.535	0.35
61_F	118_D	0.533	0.35
157_Y	201_H	0.532	0.35
183_I	197_D	0.532	0.35
23_Y	255_E	0.529	0.34
102_S	145_N	0.529	0.34
247_Y	273_D	0.527	0.34
99_S	103_L	0.524	0.34
55_P	266_D	0.524	0.34
66_G	212_T	0.524	0.34
161_P	198_V	0.524	0.34
97_E	204_K	0.523	0.34
177_V	186_L	0.522	0.34
98_K	224_E	0.521	0.34
217_A	252_Y	0.521	0.34
3_T	228_W	0.521	0.34
48_F	79_R	0.519	0.33
233_A	298_D	0.519	0.33
43_T	120_E	0.518	0.33
160_D	200_L	0.518	0.33
130_A	142_I	0.518	0.33
136_E	149_T	0.518	0.33
49_G	57_T	0.518	0.33
92_W	250_S	0.517	0.33
34_K	297_T	0.517	0.33
153_G	157_Y	0.515	0.33
16_P	65_Q	0.515	0.33
84_V	232_I	0.514	0.33
214_H	240_S	0.513	0.33
101_L	136_E	0.511	0.33
63_P	206_G	0.511	0.33
100_G	188_S	0.510	0.33
10_T	63_P	0.510	0.33
276_F	281_T	0.509	0.33
191_A	194_G	0.509	0.33
40_D	207_V	0.509	0.33
274_E	280_G	0.509	0.33
118_D	255_E	0.509	0.33
79_R	115_I	0.508	0.32
150_G	214_H	0.508	0.32
68_G	207_V	0.508	0.32
32_V	58_I	0.507	0.32
233_A	239_S	0.507	0.32
9_V	122_L	0.507	0.32
52_N	135_S	0.506	0.32
223_K	267_E	0.505	0.32
82_F	113_G	0.504	0.32
87_G	145_N	0.504	0.32
61_F	251_V	0.503	0.32
13_A	50_N	0.501	0.32
95_R	141_G	0.500	0.32
165_I	170_E	0.500	0.32
83_S	241_E	0.500	0.32

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
3oajA	2	0.9967	100	0.439	Contact Map
4huzA	2	0.9901	100	0.568	Contact Map
1zswA	1	1	100	0.593	Contact Map
3e0rA	1	0.7525	100	0.736	Contact Map
3vb0A	1	0.8548	100	0.756	Contact Map
4ro6A	1	0.8482	100	0.756	Contact Map
2zyqA	2	0.8779	100	0.758	Contact Map
2ehzA	5	0.8878	100	0.759	Contact Map
3zi1A	1	0.8383	100	0.76	Contact Map
3hpyA	4	0.8548	100	0.763	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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