MHQO - BACSU - GREMLIN Contacts

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MHQO - Putative ring-cleaving dioxygenase MhqO

UniProt:	P96693	Sequences: MAKKTMGIHHITAIVGHPQENTDFYAGVLGLRLVKQTVNFDDPGTYHLYFGNEGGKPGTIITFFPWAGARQGVIGDGQVGVTSYVVPKGAMAFWEKRLEKFNVPYTKIERFGEQYVEFDDPHGLHLEIVEREEGEANTWTFGEVTPDVAIKGFGGATLLSEQPDKTADLLENIMGLERVGKEGDFVRYRSAGDIGNVIDLKLTPIGRGQMGAGTVHHIAWRANDDEDQLDWQRYIASHGYGVTPVRDRNYFNAIYFREHGEILFEIATDPPGFAHDETQETMGEKLMLPVQYEPHRTQIEQGLLPFEVRELD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	312 (303)
Sequences:	1303 (858)
Seq/√Len:	49.3

BACSU - MHQO MHQE 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
90_A	148_V	4.351	1.00
61_I	84_Y	3.973	1.00
86_V	91_M	3.895	1.00
95_E	107_K	3.836	1.00
281_T	284_E	3.733	1.00
19_Q	23_D	3.559	1.00
221_R	269_D	3.534	1.00
52_N	56_K	3.508	1.00
167_A	188_Y	3.444	1.00
23_D	27_G	3.251	1.00
253_A	267_A	3.188	1.00
156_A	218_I	3.065	1.00
225_D	252_N	3.004	1.00
11_I	156_A	2.866	1.00
178_R	181_K	2.771	1.00
278_T	281_T	2.669	1.00
93_F	144_V	2.600	1.00
274_A	279_Q	2.585	1.00
89_G	130_E	2.465	1.00
98_L	105_Y	2.453	1.00
93_F	97_R	2.388	1.00
222_A	266_I	2.378	1.00
187_R	199_D	2.277	1.00
6_M	223_N	2.275	1.00
72_G	214_T	2.238	1.00
96_K	100_K	2.233	1.00
14_I	69_A	2.203	1.00
51_G	60_I	2.169	1.00
49_Y	60_I	2.137	1.00
178_R	188_Y	2.084	1.00
177_E	189_R	2.081	1.00
20_E	122_H	2.067	1.00
179_V	189_R	2.002	1.00
295_H	298_Q	1.924	0.99
69_A	212_A	1.900	0.99
28_V	101_F	1.878	0.99
109_E	114_Q	1.872	0.99
229_L	245_V	1.843	0.99
163_P	202_L	1.833	0.99
257_R	263_L	1.801	0.99
88_K	132_E	1.781	0.99
31_L	84_Y	1.778	0.99
167_A	200_L	1.744	0.99
293_E	296_R	1.721	0.99
176_L	190_S	1.697	0.98
110_R	127_E	1.697	0.98
84_Y	153_F	1.686	0.98
145_T	148_V	1.681	0.98
288_L	296_R	1.678	0.98
40_F	49_Y	1.648	0.98
223_N	227_D	1.631	0.98
17_H	67_A	1.618	0.98
168_D	172_N	1.616	0.98
25_Y	126_L	1.601	0.98
86_V	128_I	1.590	0.97
104_P	119_D	1.586	0.97
80_G	159_L	1.582	0.97
42_D	45_T	1.577	0.97
225_D	229_L	1.566	0.97
74_I	119_D	1.552	0.97
178_R	186_V	1.517	0.97
76_D	161_E	1.513	0.97
224_D	227_D	1.507	0.97
37_T	250_Y	1.506	0.96
49_Y	250_Y	1.494	0.96
21_N	50_F	1.481	0.96
88_K	130_E	1.475	0.96
14_I	42_D	1.465	0.96
292_Y	295_H	1.455	0.96
106_T	117_E	1.448	0.96
16_G	212_A	1.409	0.95
32_R	139_W	1.401	0.95
13_A	124_L	1.395	0.95
53_E	279_Q	1.377	0.94
176_L	220_W	1.364	0.94
169_L	174_M	1.358	0.94
181_K	186_V	1.354	0.94
113_E	199_D	1.351	0.94
185_F	201_K	1.335	0.93
45_T	66_W	1.334	0.93
22_T	33_L	1.333	0.93
28_V	121_P	1.332	0.93
11_I	82_T	1.301	0.92
15_V	18_P	1.299	0.92
38_V	292_Y	1.297	0.92
256_F	266_I	1.291	0.92
232_Q	236_A	1.290	0.92
167_A	178_R	1.281	0.92
250_Y	287_M	1.280	0.92
249_N	290_V	1.279	0.92
92_A	96_K	1.278	0.92
226_E	230_D	1.272	0.91
106_T	119_D	1.269	0.91
37_T	40_F	1.268	0.91
21_N	63_F	1.261	0.91
113_E	187_R	1.246	0.91
85_V	131_R	1.238	0.90
79_V	262_I	1.235	0.90
35_K	277_E	1.233	0.90
234_Y	238_H	1.231	0.90
95_E	99_E	1.227	0.90
98_L	128_I	1.221	0.90
54_G	279_Q	1.207	0.89
84_Y	150_I	1.202	0.89
33_L	48_L	1.200	0.89
34_V	51_G	1.199	0.89
242_V	254_I	1.198	0.89
109_E	112_G	1.191	0.88
163_P	186_V	1.190	0.88
99_E	105_Y	1.185	0.88
95_E	116_V	1.185	0.88
16_G	122_H	1.176	0.88
233_R	237_S	1.165	0.87
15_V	65_P	1.164	0.87
113_E	197_V	1.163	0.87
76_D	205_I	1.155	0.87
83_S	129_V	1.146	0.86
276_D	282_M	1.144	0.86
14_I	66_W	1.128	0.86
40_F	249_N	1.122	0.85
93_F	145_T	1.118	0.85
295_H	299_I	1.117	0.85
79_V	215_V	1.111	0.85
17_H	20_E	1.107	0.84
222_A	227_D	1.100	0.84
158_L	262_I	1.091	0.84
158_L	166_T	1.087	0.83
250_Y	273_F	1.086	0.83
25_Y	63_F	1.075	0.83
85_V	154_G	1.074	0.83
52_N	55_G	1.073	0.83
29_L	150_I	1.065	0.82
48_L	306_F	1.059	0.82
12_T	66_W	1.059	0.82
92_A	95_E	1.059	0.82
83_S	154_G	1.059	0.82
298_Q	302_G	1.057	0.82
232_Q	246_R	1.057	0.82
210_M	214_T	1.044	0.81
198_I	220_W	1.034	0.80
13_A	61_I	1.032	0.80
231_W	266_I	1.031	0.80
233_R	236_A	1.025	0.80
142_G	149_A	1.025	0.80
12_T	45_T	1.025	0.80
82_T	215_V	1.022	0.79
42_D	66_W	1.019	0.79
117_E	127_E	1.011	0.79
232_Q	245_V	1.006	0.78
18_P	45_T	1.004	0.78
11_I	153_F	1.004	0.78
40_F	60_I	0.987	0.77
18_P	48_L	0.986	0.77
170_L	264_F	0.986	0.77
167_A	171_E	0.985	0.77
296_R	300_E	0.984	0.77
40_F	287_M	0.983	0.77
98_L	101_F	0.981	0.76
22_T	306_F	0.979	0.76
288_L	293_E	0.965	0.75
83_S	157_T	0.962	0.75
35_K	250_Y	0.947	0.74
294_P	299_I	0.947	0.74
130_E	195_G	0.947	0.74
20_E	23_D	0.942	0.73
96_K	99_E	0.939	0.73
277_E	282_M	0.933	0.73
78_Q	208_G	0.932	0.73
293_E	299_I	0.928	0.72
81_V	127_E	0.925	0.72
114_Q	130_E	0.913	0.71
228_Q	253_A	0.913	0.71
45_T	65_P	0.909	0.71
166_T	258_E	0.908	0.71
38_V	288_L	0.903	0.70
115_Y	127_E	0.901	0.70
49_Y	287_M	0.897	0.70
246_R	254_I	0.897	0.70
141_F	144_V	0.896	0.70
230_D	233_R	0.893	0.69
228_Q	245_V	0.889	0.69
274_A	282_M	0.887	0.69
36_Q	46_Y	0.883	0.69
19_Q	307_E	0.877	0.68
52_N	279_Q	0.868	0.67
52_N	57_P	0.861	0.67
140_T	146_P	0.860	0.66
298_Q	301_Q	0.859	0.66
16_G	59_T	0.857	0.66
37_T	60_I	0.851	0.66
14_I	45_T	0.849	0.65
39_N	64_F	0.846	0.65
164_D	168_D	0.846	0.65
73_V	209_Q	0.844	0.65
14_I	210_M	0.843	0.65
55_G	59_T	0.840	0.65
85_V	136_A	0.836	0.64
8_I	79_V	0.835	0.64
224_D	270_P	0.835	0.64
119_D	125_H	0.833	0.64
40_F	246_R	0.830	0.64
93_F	142_G	0.829	0.64
249_N	287_M	0.829	0.64
93_F	148_V	0.829	0.64
291_Q	294_P	0.824	0.63
201_K	205_I	0.822	0.63
228_Q	246_R	0.822	0.63
70_R	73_V	0.819	0.63
219_A	267_A	0.815	0.62
247_D	291_Q	0.813	0.62
6_M	222_A	0.811	0.62
272_G	283_G	0.810	0.62
187_R	197_V	0.810	0.62
23_D	185_F	0.808	0.62
97_R	101_F	0.806	0.61
15_V	48_L	0.805	0.61
41_D	46_Y	0.805	0.61
244_P	249_N	0.804	0.61
119_D	123_G	0.803	0.61
81_V	119_D	0.801	0.61
93_F	141_F	0.794	0.60
107_K	114_Q	0.793	0.60
65_P	304_L	0.790	0.60
17_H	304_L	0.789	0.60
245_V	252_N	0.787	0.60
41_D	64_F	0.785	0.59
41_D	215_V	0.783	0.59
297_T	301_Q	0.781	0.59
196_N	231_W	0.778	0.59
291_Q	299_I	0.775	0.58
229_L	232_Q	0.773	0.58
219_A	253_A	0.770	0.58
303_L	306_F	0.769	0.58
54_G	274_A	0.767	0.58
93_F	143_E	0.761	0.57
232_Q	242_V	0.759	0.57
5_T	190_S	0.757	0.57
25_Y	61_I	0.753	0.56
110_R	199_D	0.752	0.56
48_L	129_V	0.749	0.56
160_S	163_P	0.749	0.56
122_H	212_A	0.746	0.55
18_P	36_Q	0.746	0.55
7_G	30_G	0.744	0.55
38_V	291_Q	0.738	0.55
232_Q	243_T	0.735	0.54
35_K	276_D	0.732	0.54
21_N	258_E	0.732	0.54
72_G	208_G	0.730	0.54
74_I	78_Q	0.730	0.54
106_T	116_V	0.726	0.53
179_V	197_V	0.726	0.53
251_F	255_Y	0.725	0.53
22_T	222_A	0.725	0.53
100_K	105_Y	0.725	0.53
63_F	271_P	0.722	0.53
38_V	296_R	0.721	0.53
174_M	234_Y	0.719	0.53
286_L	300_E	0.715	0.52
292_Y	299_I	0.704	0.51
249_N	291_Q	0.699	0.51
94_W	219_A	0.698	0.51
46_Y	216_H	0.696	0.50
181_K	184_D	0.695	0.50
34_V	283_G	0.691	0.50
169_L	256_F	0.690	0.50
250_Y	283_G	0.688	0.50
40_F	244_P	0.687	0.50
37_T	287_M	0.683	0.49
225_D	270_P	0.682	0.49
98_L	103_V	0.681	0.49
73_V	116_V	0.680	0.49
32_R	284_E	0.679	0.49
69_A	306_F	0.674	0.48
86_V	116_V	0.674	0.48
236_A	239_G	0.673	0.48
296_R	299_I	0.671	0.48
140_T	145_T	0.670	0.48
168_D	238_H	0.668	0.48
160_S	193_D	0.667	0.47
156_A	198_I	0.666	0.47
8_I	153_F	0.664	0.47
232_Q	254_I	0.662	0.47
90_A	97_R	0.656	0.46
157_T	201_K	0.656	0.46
172_N	237_S	0.656	0.46
45_T	212_A	0.655	0.46
243_T	263_L	0.654	0.46
71_Q	212_A	0.653	0.46
34_V	282_M	0.652	0.46
82_T	124_L	0.651	0.46
169_L	259_H	0.651	0.46
66_W	212_A	0.650	0.46
146_P	151_K	0.649	0.46
250_Y	277_E	0.649	0.46
40_F	250_Y	0.649	0.46
74_I	214_T	0.647	0.45
70_R	212_A	0.647	0.45
164_D	202_L	0.647	0.45
276_D	283_G	0.645	0.45
258_E	261_E	0.643	0.45
15_V	122_H	0.642	0.45
253_A	275_H	0.640	0.45
25_Y	120_D	0.636	0.44
90_A	105_Y	0.632	0.44
256_F	264_F	0.631	0.44
61_I	82_T	0.630	0.44
57_P	221_R	0.630	0.44
32_R	282_M	0.630	0.44
156_A	176_L	0.629	0.44
178_R	200_L	0.626	0.43
173_I	234_Y	0.624	0.43
166_T	218_I	0.624	0.43
74_I	125_H	0.622	0.43
78_Q	124_L	0.622	0.43
27_G	101_F	0.620	0.43
256_F	263_L	0.620	0.43
116_V	301_Q	0.619	0.43
96_K	146_P	0.616	0.42
72_G	149_A	0.614	0.42
125_H	221_R	0.614	0.42
259_H	262_I	0.612	0.42
159_L	203_T	0.612	0.42
174_M	229_L	0.611	0.42
249_N	299_I	0.611	0.42
47_H	62_T	0.611	0.42
277_E	283_G	0.611	0.42
21_N	122_H	0.610	0.42
44_G	233_R	0.609	0.42
111_F	180_G	0.609	0.42
86_V	95_E	0.608	0.42
253_A	270_P	0.608	0.42
101_F	144_V	0.607	0.41
222_A	228_Q	0.606	0.41
78_Q	214_T	0.606	0.41
208_G	214_T	0.605	0.41
52_N	58_G	0.602	0.41
209_Q	299_I	0.601	0.41
239_G	242_V	0.600	0.41
291_Q	295_H	0.600	0.41
184_D	203_T	0.600	0.41
162_Q	168_D	0.599	0.41
31_L	274_A	0.598	0.41
22_T	26_A	0.598	0.41
53_E	149_A	0.597	0.40
39_N	296_R	0.597	0.40
23_D	28_V	0.595	0.40
66_W	210_M	0.593	0.40
12_T	208_G	0.593	0.40
235_I	256_F	0.591	0.40
189_R	197_V	0.586	0.39
38_V	45_T	0.584	0.39
123_G	263_L	0.582	0.39
19_Q	27_G	0.582	0.39
98_L	126_L	0.582	0.39
19_Q	28_V	0.580	0.39
169_L	200_L	0.578	0.39
160_S	165_K	0.578	0.39
228_Q	254_I	0.578	0.39
59_T	196_N	0.578	0.39
172_N	200_L	0.577	0.39
8_I	176_L	0.576	0.38
60_I	249_N	0.576	0.38
33_L	174_M	0.576	0.38
84_Y	262_I	0.576	0.38
77_G	161_E	0.575	0.38
166_T	260_G	0.575	0.38
51_G	59_T	0.574	0.38
175_G	198_I	0.574	0.38
38_V	293_E	0.572	0.38
60_I	273_F	0.570	0.38
255_Y	265_E	0.570	0.38
236_A	242_V	0.568	0.38
36_Q	300_E	0.567	0.38
72_G	127_E	0.567	0.38
43_P	87_P	0.566	0.37
64_F	299_I	0.564	0.37
65_P	260_G	0.563	0.37
42_D	209_Q	0.561	0.37
107_K	116_V	0.560	0.37
279_Q	282_M	0.559	0.37
252_N	266_I	0.559	0.37
13_A	195_G	0.557	0.37
134_G	151_K	0.556	0.37
271_P	276_D	0.556	0.37
77_G	243_T	0.555	0.36
30_G	52_N	0.551	0.36
249_N	275_H	0.550	0.36
34_V	60_I	0.548	0.36
278_T	284_E	0.547	0.36
102_N	226_E	0.547	0.36
5_T	222_A	0.547	0.36
220_W	264_F	0.546	0.36
222_A	253_A	0.544	0.35
86_V	156_A	0.544	0.35
158_L	264_F	0.542	0.35
89_G	147_D	0.542	0.35
272_G	276_D	0.540	0.35
83_S	155_G	0.540	0.35
54_G	137_N	0.539	0.35
161_E	205_I	0.538	0.35
236_A	301_Q	0.538	0.35
50_F	214_T	0.536	0.35
170_L	200_L	0.536	0.35
163_P	200_L	0.535	0.35
106_T	239_G	0.535	0.35
242_V	246_R	0.534	0.34
81_V	117_E	0.533	0.34
128_I	183_G	0.532	0.34
166_T	199_D	0.532	0.34
126_L	158_L	0.531	0.34
51_G	222_A	0.530	0.34
89_G	92_A	0.528	0.34
106_T	183_G	0.528	0.34
8_I	218_I	0.526	0.34
251_F	265_E	0.526	0.34
99_E	206_G	0.524	0.34
110_R	115_Y	0.523	0.33
8_I	118_F	0.522	0.33
15_V	52_N	0.521	0.33
92_A	116_V	0.521	0.33
12_T	65_P	0.520	0.33
219_A	255_Y	0.520	0.33
7_G	12_T	0.520	0.33
250_Y	276_D	0.520	0.33
25_Y	258_E	0.519	0.33
63_F	120_D	0.518	0.33
152_G	216_H	0.518	0.33
97_R	143_E	0.517	0.33
57_P	269_D	0.516	0.33
80_G	157_T	0.516	0.33
173_I	238_H	0.516	0.33
186_V	202_L	0.516	0.33
19_Q	304_L	0.515	0.33
68_G	214_T	0.515	0.33
51_G	254_I	0.515	0.33
76_D	159_L	0.514	0.33
70_R	209_Q	0.513	0.33
94_W	253_A	0.512	0.32
131_R	193_D	0.511	0.32
155_G	159_L	0.509	0.32
52_N	300_E	0.509	0.32
120_D	258_E	0.508	0.32
73_V	168_D	0.508	0.32
5_T	231_W	0.507	0.32
116_V	211_G	0.507	0.32
179_V	188_Y	0.506	0.32
59_T	97_R	0.505	0.32
8_I	12_T	0.504	0.32
87_P	150_I	0.504	0.32
130_E	194_I	0.503	0.32
45_T	122_H	0.503	0.32
65_P	208_G	0.500	0.31
97_R	105_Y	0.500	0.31

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	0.9904	100	0.437	Contact Map
4huzA	2	0.9679	100	0.572	Contact Map
1zswA	1	0.9904	100	0.592	Contact Map
3e0rA	1	0.7372	100	0.739	Contact Map
4ro6A	1	0.8397	100	0.756	Contact Map
3vb0A	1	0.8333	100	0.76	Contact Map
2ehzA	5	0.8814	100	0.761	Contact Map
2zyqA	2	0.8526	100	0.763	Contact Map
3hpyA	4	0.859	100	0.764	Contact Map
1mpyA	3	0.9006	100	0.764	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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