Q97YT4 - SULSO - GREMLIN Contacts

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Q97YT4 - Catechol 2,3-dioxygenase (Metapyrocatechase)

UniProt:	Q97YT4	Sequences: MVNKLLSQLASVEILTPKIDDTLWFFKDILGLHEVGRKDRSVYLRGWEDWYAYSLKVTESDTAGVKEIVWRTYSEKDLIDSINIVNSNGLGLGWDEGEPDMGVGKGYKFILPSGQIGKLVWEMKIWRASGELRSGYKARPMKKPTKGVQAKDLSHIFIFAYNDESLAKTVELLKRLTFKVNEILKEGDKRIAYWMAVNGTAHDLAVSLDPSGVPARLNHVTFNVDYADDILKAADFYTDYGLEIVGGPLRHGITDSHSLYVKEPGGNVIELLHGGYLNVVPDWEPIVWDTKEDENRWLYYWGHVKEAFWHGSPIPANRVSDELKEIVRQKLGAKI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	335 (271)
Sequences:	3383 (2243)
Seq/√Len:	136.3

BACSU - MHQA MHQO MHQE
SULSO - Q97YT4 Q97WR3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
24_W	28_D	4.852	1.00
168_K	174_K	4.629	1.00
82_I	94_W	4.068	1.00
162_N	165_S	3.561	1.00
18_K	21_D	3.283	1.00
10_A	120_V	2.770	1.00
72_T	119_L	2.602	1.00
44_L	49_D	2.531	1.00
74_S	77_D	2.518	1.00
83_N	87_S	2.441	1.00
15_L	60_S	2.435	1.00
72_T	78_L	2.414	1.00
77_D	148_V	2.352	1.00
20_D	24_W	2.304	1.00
45_R	49_D	2.274	1.00
82_I	86_N	2.227	1.00
44_L	47_W	2.168	1.00
82_I	107_Y	2.161	1.00
109_F	119_L	2.149	1.00
46_G	49_D	2.139	1.00
34_E	37_R	2.124	1.00
108_K	118_K	2.106	1.00
23_L	37_R	2.031	1.00
81_S	119_L	1.969	1.00
55_L	70_W	1.968	1.00
111_L	172_L	1.960	1.00
227_A	254_T	1.947	1.00
94_W	105_K	1.931	1.00
223_N	274_G	1.924	1.00
23_L	34_E	1.920	1.00
180_V	183_I	1.882	1.00
75_E	105_K	1.853	1.00
258_S	272_L	1.833	1.00
16_T	57_V	1.821	1.00
83_N	86_N	1.820	1.00
75_E	79_I	1.816	1.00
93_G	108_K	1.785	1.00
79_I	83_N	1.779	1.00
40_R	59_E	1.778	1.00
80_D	84_I	1.767	1.00
202_H	205_A	1.754	1.00
226_Y	229_D	1.734	1.00
201_A	205_A	1.730	1.00
15_L	64_G	1.718	1.00
21_D	24_W	1.698	1.00
91_G	110_I	1.653	1.00
287_V	290_T	1.640	1.00
156_I	220_V	1.582	1.00
224_V	271_L	1.576	1.00
41_S	45_R	1.571	1.00
86_N	92_L	1.570	1.00
44_L	48_E	1.563	1.00
11_S	69_V	1.561	1.00
194_W	197_V	1.553	1.00
13_E	58_T	1.548	1.00
280_V	285_P	1.535	1.00
42_V	49_D	1.533	1.00
236_F	240_Y	1.532	1.00
19_I	59_E	1.525	1.00
245_V	268_V	1.522	1.00
67_E	118_K	1.511	1.00
108_K	116_I	1.509	1.00
46_G	51_Y	1.507	1.00
76_K	121_W	1.488	1.00
75_E	121_W	1.486	1.00
13_E	67_E	1.472	1.00
70_W	117_G	1.469	1.00
262_K	268_V	1.464	1.00
249_L	258_S	1.430	1.00
34_E	42_V	1.423	1.00
200_T	203_D	1.416	1.00
110_I	116_I	1.413	1.00
19_I	42_V	1.409	1.00
79_I	105_K	1.409	1.00
167_A	195_M	1.401	1.00
181_N	196_A	1.387	1.00
227_A	231_L	1.367	1.00
199_G	202_H	1.362	1.00
85_V	109_F	1.357	1.00
237_Y	261_V	1.355	1.00
15_L	66_K	1.346	1.00
210_P	213_V	1.332	1.00
42_V	46_G	1.330	1.00
41_S	44_L	1.308	1.00
69_V	118_K	1.304	1.00
17_P	63_A	1.294	1.00
167_A	173_L	1.282	1.00
41_S	46_G	1.280	1.00
42_V	47_W	1.276	1.00
45_R	48_E	1.274	1.00
234_A	238_T	1.268	1.00
41_S	49_D	1.252	1.00
225_D	229_D	1.246	1.00
193_Y	196_A	1.242	1.00
117_G	172_L	1.242	1.00
45_R	51_Y	1.231	1.00
76_K	79_I	1.216	1.00
167_A	180_V	1.216	1.00
47_W	51_Y	1.205	1.00
27_K	34_E	1.204	1.00
23_L	44_L	1.198	1.00
278_N	283_W	1.188	1.00
202_H	208_L	1.183	0.99
68_I	156_I	1.180	0.99
209_D	212_G	1.180	0.99
164_E	208_L	1.179	0.99
284_E	287_V	1.175	0.99
44_L	51_Y	1.175	0.99
109_F	117_G	1.171	0.99
26_F	263_E	1.167	0.99
41_S	58_T	1.147	0.99
145_T	148_V	1.147	0.99
231_L	247_G	1.147	0.99
46_G	54_S	1.147	0.99
247_G	254_T	1.140	0.99
42_V	51_Y	1.134	0.99
79_I	82_I	1.133	0.99
23_L	42_V	1.133	0.99
71_R	122_E	1.133	0.99
42_V	45_R	1.124	0.99
85_V	92_L	1.104	0.99
212_G	215_A	1.099	0.99
111_L	117_G	1.087	0.99
41_S	51_Y	1.082	0.99
23_L	27_K	1.078	0.99
173_L	195_M	1.076	0.99
255_D	276_Y	1.067	0.99
191_I	194_W	1.064	0.99
256_S	275_G	1.062	0.99
25_F	261_V	1.049	0.99
219_H	270_E	1.043	0.99
164_E	168_K	1.043	0.99
84_I	88_N	1.042	0.99
101_M	118_K	1.041	0.99
71_R	154_S	1.037	0.99
160_A	163_D	1.033	0.99
199_G	277_L	1.029	0.99
19_I	23_L	1.026	0.99
252_G	288_W	1.023	0.99
194_W	198_N	1.020	0.98
9_L	153_L	1.019	0.98
219_H	260_Y	1.013	0.98
221_T	272_L	1.013	0.98
234_A	248_P	1.013	0.98
179_K	196_A	1.002	0.98
199_G	203_D	0.996	0.98
244_I	259_L	0.993	0.98
200_T	205_A	0.991	0.98
80_D	144_P	0.991	0.98
165_S	168_K	0.979	0.98
193_Y	197_V	0.966	0.98
29_I	88_N	0.959	0.98
86_N	91_G	0.957	0.98
69_V	120_V	0.955	0.98
16_T	59_E	0.948	0.98
254_T	258_S	0.948	0.98
90_L	109_F	0.948	0.98
205_A	210_P	0.948	0.98
20_D	37_R	0.946	0.98
235_D	239_D	0.944	0.97
85_V	107_Y	0.940	0.97
67_E	108_K	0.939	0.97
245_V	262_K	0.935	0.97
164_E	167_A	0.921	0.97
181_N	195_M	0.918	0.97
228_D	232_K	0.918	0.97
6_L	197_V	0.915	0.97
77_D	80_D	0.914	0.97
201_A	206_V	0.908	0.97
97_G	105_K	0.901	0.97
41_S	47_W	0.895	0.97
12_V	220_V	0.888	0.96
89_G	92_L	0.884	0.96
178_F	197_V	0.883	0.96
93_G	110_I	0.882	0.96
234_A	247_G	0.881	0.96
43_Y	53_Y	0.880	0.96
210_P	214_P	0.878	0.96
160_A	166_L	0.878	0.96
58_T	66_K	0.876	0.96
95_D	106_G	0.872	0.96
32_L	222_F	0.869	0.96
85_V	88_N	0.867	0.96
183_I	287_V	0.857	0.96
22_T	57_V	0.857	0.96
236_F	239_D	0.854	0.95
254_T	275_G	0.850	0.95
107_Y	119_L	0.849	0.95
202_H	207_S	0.845	0.95
7_S	225_D	0.845	0.95
84_I	87_S	0.842	0.95
94_W	107_Y	0.840	0.95
68_I	115_Q	0.838	0.95
169_T	176_L	0.837	0.95
25_F	269_I	0.837	0.95
193_Y	198_N	0.833	0.95
166_L	172_L	0.822	0.94
65_V	68_I	0.816	0.94
248_P	259_L	0.815	0.94
34_E	44_L	0.814	0.94
14_I	115_Q	0.805	0.94
80_D	83_N	0.803	0.94
202_H	206_V	0.803	0.94
48_E	54_S	0.800	0.94
82_I	92_L	0.795	0.93
181_N	201_A	0.793	0.93
78_L	105_K	0.791	0.93
163_D	193_Y	0.791	0.93
261_V	271_L	0.789	0.93
73_Y	77_D	0.784	0.93
113_S	161_Y	0.784	0.93
250_R	255_D	0.781	0.93
81_S	84_I	0.765	0.92
111_L	115_Q	0.762	0.92
53_Y	56_K	0.762	0.92
224_V	229_D	0.762	0.92
48_E	51_Y	0.762	0.92
29_I	240_Y	0.760	0.92
260_Y	270_E	0.758	0.92
233_A	271_L	0.754	0.91
70_W	153_L	0.751	0.91
218_N	268_V	0.738	0.91
43_Y	46_G	0.736	0.90
223_N	228_D	0.735	0.90
32_L	70_W	0.733	0.90
77_D	81_S	0.731	0.90
43_Y	56_K	0.726	0.90
229_D	232_K	0.725	0.90
152_D	272_L	0.724	0.90
180_V	195_M	0.724	0.90
247_G	258_S	0.719	0.89
231_L	234_A	0.718	0.89
158_I	206_V	0.716	0.89
257_H	273_H	0.716	0.89
163_D	208_L	0.713	0.89
12_V	156_I	0.713	0.89
178_F	222_F	0.711	0.89
106_G	118_K	0.710	0.89
93_G	116_I	0.709	0.89
60_S	64_G	0.709	0.89
84_I	177_T	0.708	0.89
75_E	123_M	0.704	0.88
184_L	192_A	0.699	0.88
140_P	143_K	0.699	0.88
32_L	150_A	0.699	0.88
158_I	204_L	0.698	0.88
163_D	206_V	0.698	0.88
19_I	37_R	0.697	0.88
139_R	142_K	0.696	0.88
30_L	269_I	0.695	0.88
159_F	216_R	0.692	0.88
66_K	159_F	0.692	0.88
205_A	209_D	0.692	0.88
69_V	154_S	0.691	0.87
201_A	207_S	0.691	0.87
155_H	202_H	0.691	0.87
160_A	165_S	0.688	0.87
64_G	216_R	0.684	0.87
10_A	71_R	0.681	0.87
155_H	251_H	0.681	0.87
228_D	250_R	0.680	0.87
203_D	208_L	0.680	0.87
20_D	59_E	0.678	0.87
246_G	254_T	0.676	0.86
202_H	209_D	0.671	0.86
182_E	201_A	0.669	0.86
13_E	66_K	0.662	0.85
199_G	205_A	0.661	0.85
246_G	251_H	0.658	0.85
18_K	116_I	0.657	0.85
95_D	108_K	0.655	0.85
253_I	272_L	0.651	0.84
92_L	107_Y	0.650	0.84
11_S	103_V	0.650	0.84
14_I	55_L	0.646	0.84
78_L	82_I	0.645	0.84
232_K	235_D	0.638	0.83
78_L	95_D	0.636	0.83
41_S	48_E	0.632	0.82
39_D	59_E	0.632	0.82
253_I	288_W	0.631	0.82
65_V	217_L	0.631	0.82
158_I	269_I	0.629	0.82
235_D	238_T	0.628	0.82
203_D	212_G	0.626	0.82
289_D	292_E	0.625	0.82
18_K	59_E	0.623	0.82
251_H	281_P	0.621	0.81
28_D	240_Y	0.621	0.81
192_A	207_S	0.621	0.81
62_T	161_Y	0.620	0.81
234_A	244_I	0.618	0.81
65_V	267_N	0.616	0.81
167_A	193_Y	0.613	0.80
161_Y	165_S	0.613	0.80
256_S	272_L	0.612	0.80
24_W	27_K	0.610	0.80
74_S	121_W	0.607	0.80
24_W	240_Y	0.606	0.80
234_A	259_L	0.606	0.80
257_H	283_W	0.602	0.79
200_T	254_T	0.602	0.79
26_F	57_V	0.600	0.79
22_T	263_E	0.599	0.79
72_T	107_Y	0.598	0.79
187_G	191_I	0.598	0.79
15_L	39_D	0.597	0.79
110_I	114_G	0.592	0.78
35_V	45_R	0.591	0.78
256_S	271_L	0.590	0.78
85_V	90_L	0.589	0.78
221_T	260_Y	0.589	0.78
44_L	57_V	0.588	0.78
166_L	206_V	0.585	0.77
168_K	173_L	0.585	0.77
29_I	112_P	0.584	0.77
5_L	77_D	0.584	0.77
156_I	178_F	0.584	0.77
16_T	113_S	0.582	0.77
104_G	121_W	0.582	0.77
54_S	251_H	0.581	0.77
201_A	251_H	0.580	0.77
20_D	23_L	0.578	0.77
74_S	80_D	0.575	0.76
253_I	276_Y	0.575	0.76
83_N	96_E	0.574	0.76
69_V	157_F	0.571	0.76
30_L	255_D	0.571	0.76
157_F	194_W	0.571	0.76
253_I	256_S	0.570	0.76
9_L	220_V	0.570	0.76
206_V	209_D	0.565	0.75
9_L	156_I	0.564	0.75
202_H	251_H	0.564	0.75
178_F	198_N	0.562	0.75
29_I	242_L	0.561	0.74
218_N	221_T	0.561	0.74
250_R	274_G	0.559	0.74
210_P	215_A	0.558	0.74
176_L	231_L	0.558	0.74
221_T	256_S	0.556	0.74
169_T	264_P	0.555	0.74
80_D	141_M	0.554	0.73
183_I	193_Y	0.553	0.73
161_Y	214_P	0.552	0.73
38_K	43_Y	0.552	0.73
253_I	299_Y	0.552	0.73
222_F	269_I	0.551	0.73
156_I	204_L	0.546	0.72
115_Q	216_R	0.545	0.72
224_V	230_I	0.545	0.72
36_G	52_A	0.541	0.72
205_A	208_L	0.541	0.72
167_A	183_I	0.539	0.71
192_A	197_V	0.539	0.71
230_I	247_G	0.538	0.71
142_K	145_T	0.538	0.71
249_L	254_T	0.538	0.71
141_M	144_P	0.537	0.71
201_A	204_L	0.537	0.71
254_T	272_L	0.536	0.71
72_T	82_I	0.536	0.71
124_K	127_R	0.536	0.71
97_G	107_Y	0.534	0.71
161_Y	166_L	0.533	0.71
119_L	176_L	0.532	0.70
251_H	260_Y	0.532	0.70
154_S	272_L	0.530	0.70
140_P	146_K	0.530	0.70
230_I	271_L	0.529	0.70
221_T	263_E	0.528	0.70
247_G	259_L	0.528	0.70
33_H	139_R	0.526	0.70
227_A	230_I	0.524	0.69
288_W	292_E	0.523	0.69
93_G	96_E	0.522	0.69
38_K	77_D	0.522	0.69
36_G	53_Y	0.522	0.69
40_R	58_T	0.522	0.69
219_H	251_H	0.521	0.69
258_S	275_G	0.518	0.68
201_A	210_P	0.518	0.68
102_G	124_K	0.517	0.68
12_V	68_I	0.515	0.68
14_I	57_V	0.514	0.68
162_N	266_G	0.513	0.68
161_Y	215_A	0.512	0.68
67_E	101_M	0.510	0.67
70_W	203_D	0.510	0.67
202_H	210_P	0.509	0.67
22_T	265_G	0.508	0.67
9_L	65_V	0.508	0.67
150_A	256_S	0.507	0.67
6_L	173_L	0.507	0.67
78_L	121_W	0.506	0.67
230_I	248_P	0.506	0.67
163_D	167_A	0.506	0.67
38_K	41_S	0.505	0.67
11_S	218_N	0.504	0.66
115_Q	153_L	0.504	0.66
221_T	268_V	0.504	0.66
9_L	178_F	0.503	0.66
209_D	213_V	0.501	0.66
38_K	59_E	0.501	0.66
154_S	194_W	0.501	0.66
140_P	145_T	0.500	0.66

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
4ghgA	4	0.9493	100	0.4	Contact Map
3b59A	5	0.8866	100	0.406	Contact Map
1f1uA	4	0.9224	100	0.413	Contact Map
3lm4A	4	0.9582	100	0.413	Contact Map
3hpyA	4	0.8716	100	0.47	Contact Map
3vb0A	1	0.8328	100	0.499	Contact Map
2zyqA	2	0.8448	100	0.5	Contact Map
1lgtA	5	0.8358	100	0.502	Contact Map
1kw3B	5	0.8388	100	0.503	Contact Map
1mpyA	3	0.9075	100	0.506	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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