MTNU - BACSU - GREMLIN Contacts

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MTNU - Hydrolase MtnU

UniProt:	O31664	Sequences: MKWTISCLQFDISYGKPSENIKKAEFFIEKESKHADVLVLPELWTTGYDLANLDELADEDGRSAQSWLKKTAKKHGVHIVAGSVAVRKNSDVYNTMYIADKEGQIIKEYRKAHLFQLMDEHLYLSAGSEDGYFELDGVKSSGLICYDIRFPEWIRKHTTKGANVLFISAEWPLPRLDHWKSLLIARAIENQCFVAACNCTGSNPDNEFAGHSLIIDPWGRVLAEGGREEGIVRAEIDLQESAEVRESIPVFDDIRKDLY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	259 (245)
Sequences:	13935 (9787)
Seq/√Len:	625.2

ECOLI - YBEM YAFV YOBB LNT
BACSU - MTNU YHCX
HALSA - Q9HQZ3
SULSO - Q97ZZ7 Q97WN8 Q981B6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
134_E	139_K	3.269	1.00
4_T	235_E	3.250	1.00
16_K	19_E	2.783	1.00
186_R	189_E	2.526	1.00
216_D	220_R	2.486	1.00
23_K	229_E	2.482	1.00
214_I	234_A	2.414	1.00
24_A	44_W	2.379	1.00
83_S	97_Y	2.353	1.00
226_G	230_G	2.291	1.00
6_S	233_R	2.275	1.00
180_K	224_E	2.269	1.00
141_S	157_H	2.265	1.00
143_L	154_I	2.198	1.00
95_T	110_R	2.157	1.00
6_S	35_A	2.145	1.00
7_C	195_A	2.080	1.00
29_E	74_K	2.033	1.00
7_C	197_C	2.004	1.00
39_V	166_F	2.001	1.00
38_L	77_V	1.982	1.00
78_H	101_K	1.928	1.00
33_K	233_R	1.922	1.00
29_E	75_H	1.910	1.00
25_E	71_T	1.899	1.00
25_E	67_W	1.873	1.00
163_N	242_A	1.871	1.00
5_I	195_A	1.867	1.00
93_Y	110_R	1.859	1.00
225_G	230_G	1.856	1.00
36_D	136_D	1.836	1.00
225_G	232_V	1.804	1.00
25_E	29_E	1.751	1.00
91_D	125_S	1.705	1.00
193_F	217_P	1.702	1.00
70_K	74_K	1.701	1.00
135_L	138_V	1.692	1.00
78_H	98_I	1.677	1.00
35_A	233_R	1.655	1.00
181_S	184_I	1.640	1.00
100_D	106_I	1.634	1.00
23_K	26_F	1.625	1.00
80_V	98_I	1.598	1.00
28_I	38_L	1.593	1.00
139_K	163_N	1.585	1.00
165_L	192_C	1.569	1.00
68_L	81_A	1.568	1.00
8_L	38_L	1.566	1.00
26_F	30_K	1.561	1.00
98_I	142_G	1.556	1.00
30_K	33_K	1.555	1.00
95_T	108_E	1.551	1.00
96_M	142_G	1.545	1.00
86_V	110_R	1.540	1.00
101_K	136_D	1.537	1.00
69_K	99_A	1.527	1.00
71_T	75_H	1.521	1.00
215_I	221_V	1.517	1.00
140_S	164_V	1.512	1.00
39_V	197_C	1.508	1.00
195_A	214_I	1.497	1.00
80_V	166_F	1.497	1.00
223_A	232_V	1.493	1.00
37_V	166_F	1.492	1.00
78_H	106_I	1.476	1.00
24_A	40_L	1.467	1.00
72_A	79_I	1.466	1.00
154_I	165_L	1.466	1.00
100_D	104_Q	1.458	1.00
240_E	243_E	1.424	1.00
80_V	96_M	1.421	1.00
78_H	135_L	1.407	1.00
65_Q	97_Y	1.394	1.00
180_K	184_I	1.393	1.00
116_Q	121_H	1.388	1.00
183_L	196_A	1.387	1.00
61_G	65_Q	1.383	1.00
22_K	26_F	1.369	1.00
143_L	167_I	1.367	1.00
28_I	79_I	1.347	1.00
13_S	19_E	1.337	1.00
99_A	105_I	1.336	1.00
119_D	122_L	1.330	1.00
181_S	188_I	1.309	1.00
193_F	222_L	1.304	1.00
8_L	40_L	1.296	1.00
152_E	155_R	1.296	1.00
143_L	153_W	1.288	1.00
80_V	142_G	1.287	1.00
25_E	74_K	1.286	1.00
18_S	22_K	1.282	1.00
96_M	168_S	1.281	1.00
58_D	62_R	1.264	1.00
8_L	231_I	1.256	1.00
28_I	71_T	1.249	1.00
27_F	30_K	1.240	1.00
140_S	166_F	1.231	1.00
19_E	22_K	1.226	1.00
211_H	224_E	1.222	1.00
146_Y	150_F	1.220	1.00
83_S	108_E	1.216	1.00
216_D	222_L	1.204	1.00
36_D	101_K	1.188	1.00
154_I	167_I	1.178	1.00
21_I	67_W	1.170	1.00
29_E	71_T	1.167	1.00
216_D	240_E	1.160	1.00
164_V	195_A	1.152	1.00
66_S	69_K	1.145	1.00
28_I	77_V	1.126	1.00
109_Y	131_G	1.122	1.00
107_K	131_G	1.115	1.00
199_C	203_N	1.105	1.00
187_A	194_V	1.105	1.00
243_E	247_S	1.096	1.00
21_I	25_E	1.095	1.00
45_T	64_A	1.091	1.00
10_F	27_F	1.089	1.00
35_A	38_L	1.083	1.00
66_S	70_K	1.082	1.00
93_Y	125_S	1.081	1.00
70_K	73_K	1.075	1.00
67_W	70_K	1.072	1.00
156_K	160_K	1.063	1.00
19_E	23_K	1.058	1.00
31_E	77_V	1.055	1.00
25_E	70_K	1.047	1.00
98_I	133_F	1.044	1.00
162_A	165_L	1.042	1.00
183_L	194_V	1.037	1.00
109_Y	147_D	1.026	1.00
97_Y	108_E	1.024	1.00
180_K	213_L	1.011	1.00
183_L	215_I	1.009	1.00
58_D	64_A	1.005	1.00
18_S	63_S	1.004	1.00
202_S	207_E	1.004	1.00
155_R	190_N	1.004	1.00
61_G	66_S	1.003	1.00
23_K	27_F	0.996	1.00
27_F	231_I	0.993	1.00
78_H	136_D	0.986	1.00
22_K	67_W	0.983	1.00
68_L	79_I	0.976	1.00
62_R	65_Q	0.974	1.00
78_H	100_D	0.969	1.00
183_L	213_L	0.959	1.00
10_F	24_A	0.955	1.00
242_A	246_E	0.955	1.00
132_Y	139_K	0.947	1.00
43_L	124_L	0.945	1.00
81_A	99_A	0.942	1.00
4_T	33_K	0.939	1.00
13_S	16_K	0.938	1.00
76_G	101_K	0.936	1.00
86_V	95_T	0.936	1.00
65_Q	99_A	0.930	1.00
134_E	137_G	0.930	1.00
158_T	192_C	0.929	1.00
141_S	162_A	0.926	1.00
107_K	133_F	0.926	1.00
179_W	196_A	0.919	1.00
8_L	27_F	0.911	1.00
9_Q	212_S	0.911	1.00
177_D	184_I	0.910	1.00
187_A	215_I	0.907	1.00
135_L	140_S	0.899	1.00
138_V	163_N	0.888	1.00
4_T	233_R	0.876	1.00
7_C	214_I	0.875	1.00
111_K	145_C	0.870	1.00
181_S	185_A	0.869	1.00
222_L	234_A	0.862	1.00
173_L	207_E	0.861	1.00
67_W	71_T	0.850	1.00
223_A	234_A	0.847	1.00
112_A	153_W	0.845	1.00
31_E	34_H	0.844	1.00
237_D	240_E	0.840	1.00
88_K	91_D	0.839	1.00
239_Q	242_A	0.834	1.00
18_S	67_W	0.828	1.00
43_L	48_Y	0.820	1.00
7_C	232_V	0.819	1.00
29_E	32_S	0.816	1.00
193_F	236_I	0.814	1.00
132_Y	162_A	0.813	1.00
177_D	180_K	0.812	1.00
40_L	44_W	0.812	1.00
60_D	65_Q	0.811	1.00
138_V	164_V	0.810	1.00
155_R	159_T	0.798	1.00
65_Q	69_K	0.792	1.00
49_D	52_N	0.789	1.00
113_H	147_D	0.785	1.00
94_N	111_K	0.781	1.00
7_C	212_S	0.769	1.00
22_K	25_E	0.769	1.00
5_I	236_I	0.766	1.00
163_N	238_L	0.764	1.00
72_A	75_H	0.763	1.00
31_E	231_I	0.762	1.00
193_F	241_S	0.758	1.00
193_F	240_E	0.758	1.00
65_Q	105_I	0.756	1.00
213_L	221_V	0.753	1.00
17_P	21_I	0.752	1.00
239_Q	243_E	0.745	1.00
133_F	140_S	0.743	1.00
221_V	224_E	0.738	1.00
11_D	200_T	0.737	1.00
170_E	199_C	0.734	1.00
6_S	231_I	0.732	1.00
9_Q	210_G	0.730	1.00
24_A	68_L	0.730	1.00
10_F	44_W	0.728	1.00
24_A	81_A	0.724	1.00
98_I	140_S	0.723	1.00
116_Q	119_D	0.723	1.00
170_E	208_F	0.722	1.00
28_I	75_H	0.717	1.00
37_V	137_G	0.714	1.00
200_T	228_E	0.710	1.00
240_E	244_V	0.709	1.00
33_K	231_I	0.708	1.00
26_F	29_E	0.705	1.00
16_K	20_N	0.704	1.00
148_I	183_L	0.701	1.00
241_S	245_R	0.698	1.00
31_E	35_A	0.698	1.00
28_I	40_L	0.697	1.00
6_S	38_L	0.697	1.00
12_I	199_C	0.696	1.00
167_I	194_V	0.695	1.00
71_T	74_K	0.694	1.00
39_V	80_V	0.692	1.00
24_A	28_I	0.688	1.00
11_D	229_E	0.687	1.00
100_D	136_D	0.686	1.00
157_H	162_A	0.684	1.00
130_D	153_W	0.684	1.00
94_N	145_C	0.684	1.00
138_V	238_L	0.682	1.00
115_F	146_Y	0.681	1.00
37_V	80_V	0.675	1.00
112_A	130_D	0.672	1.00
87_R	92_V	0.670	1.00
113_H	150_F	0.670	1.00
17_P	58_D	0.668	1.00
37_V	78_H	0.666	1.00
143_L	157_H	0.665	1.00
148_I	167_I	0.664	1.00
21_I	68_L	0.663	1.00
44_W	81_A	0.663	1.00
176_L	211_H	0.651	1.00
59_E	87_R	0.651	1.00
199_C	208_F	0.650	1.00
78_H	137_G	0.649	1.00
69_K	105_I	0.649	1.00
52_N	55_E	0.648	1.00
69_K	104_Q	0.646	1.00
39_V	195_A	0.642	1.00
220_R	240_E	0.640	1.00
3_W	137_G	0.637	1.00
165_L	194_V	0.636	1.00
62_R	66_S	0.635	1.00
13_S	20_N	0.632	1.00
115_F	149_R	0.629	1.00
218_W	244_V	0.628	1.00
97_Y	105_I	0.627	1.00
30_K	231_I	0.627	1.00
69_K	72_A	0.624	1.00
10_F	23_K	0.623	1.00
43_L	84_V	0.623	1.00
3_W	138_V	0.623	1.00
171_W	175_R	0.621	1.00
3_W	236_I	0.620	1.00
158_T	190_N	0.617	1.00
120_E	124_L	0.616	1.00
146_Y	149_R	0.615	1.00
158_T	251_F	0.613	1.00
153_W	157_H	0.610	1.00
54_D	57_A	0.607	1.00
88_K	110_R	0.607	1.00
149_R	171_W	0.606	1.00
213_L	224_E	0.604	1.00
48_Y	145_C	0.602	1.00
172_P	175_R	0.601	1.00
35_A	77_V	0.598	1.00
149_R	182_L	0.595	1.00
3_W	37_V	0.595	1.00
200_T	229_E	0.595	1.00
202_S	205_D	0.594	1.00
105_I	108_E	0.594	1.00
238_L	242_A	0.593	1.00
198_N	212_S	0.592	1.00
46_T	56_L	0.586	1.00
21_I	71_T	0.585	1.00
177_D	181_S	0.583	1.00
115_F	171_W	0.579	1.00
86_V	108_E	0.579	1.00
32_S	75_H	0.576	1.00
63_S	66_S	0.574	1.00
36_D	137_G	0.573	1.00
186_R	190_N	0.572	1.00
45_T	68_L	0.569	1.00
54_D	58_D	0.568	1.00
64_A	67_W	0.567	1.00
78_H	140_S	0.563	1.00
94_N	144_I	0.562	1.00
11_D	199_C	0.562	1.00
24_A	71_T	0.561	1.00
86_V	93_Y	0.561	1.00
30_K	233_R	0.560	1.00
53_L	56_L	0.559	1.00
131_G	160_K	0.559	1.00
198_N	209_A	0.559	1.00
130_D	157_H	0.554	1.00
83_S	95_T	0.554	1.00
30_K	230_G	0.553	1.00
184_I	221_V	0.551	1.00
171_W	179_W	0.548	1.00
25_E	75_H	0.547	1.00
115_F	172_P	0.547	1.00
173_L	176_L	0.545	1.00
173_L	209_A	0.544	0.99
148_I	182_L	0.543	0.99
169_A	179_W	0.541	0.99
211_H	227_R	0.539	0.99
13_S	23_K	0.538	0.99
182_L	185_A	0.537	0.99
48_Y	124_L	0.537	0.99
84_V	124_L	0.536	0.99
98_I	135_L	0.534	0.99
131_G	142_G	0.533	0.99
207_E	227_R	0.531	0.99
144_I	147_D	0.530	0.99
69_K	73_K	0.530	0.99
139_K	160_K	0.528	0.99
88_K	93_Y	0.527	0.99
42_E	145_C	0.525	0.99
46_T	64_A	0.521	0.99
151_P	189_E	0.521	0.99
59_E	62_R	0.521	0.99
87_R	90_S	0.520	0.99
155_R	251_F	0.520	0.99
154_I	186_R	0.518	0.99
45_T	81_A	0.517	0.99
157_H	165_L	0.516	0.99
36_D	76_G	0.515	0.99
82_G	94_N	0.513	0.99
18_S	21_I	0.512	0.99
21_I	45_T	0.512	0.99
176_L	209_A	0.511	0.99
178_H	218_W	0.511	0.99
43_L	94_N	0.510	0.99
149_R	179_W	0.510	0.99
130_D	156_K	0.510	0.99
71_T	79_I	0.510	0.99
141_S	165_L	0.510	0.99
197_C	214_I	0.509	0.99
40_L	81_A	0.506	0.99
180_K	221_V	0.503	0.99
146_Y	171_W	0.503	0.99
163_N	241_S	0.502	0.99
171_W	196_A	0.501	0.99
107_K	142_G	0.501	0.99
112_A	147_D	0.500	0.99

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
3p8kA	2	1	100	0.121	Contact Map
4izuA	2	0.9537	100	0.131	Contact Map
2w1vA	2	0.9961	100	0.139	Contact Map
2vhhA	5	1	100	0.153	Contact Map
3ivzA	2	0.9653	100	0.156	Contact Map
1uf5A	4	1	100	0.162	Contact Map
1f89A	2	0.9768	100	0.163	Contact Map
1emsA	3	0.9961	100	0.165	Contact Map
2e11A	2	0.9807	100	0.168	Contact Map
2dyuA	5	0.9846	100	0.176	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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