MTOX - ECOLI - GREMLIN Contacts

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MTOX - N-methyl-L-tryptophan oxidase

UniProt:	P40874	Sequences: MKYDLIIIGSGSVGAAAGYYATRAGLNVLMTDAHMPPHQHGSHHGDTRLIRHAYGEGEKYVPLVLRAQTLWDELSRHNEEDPIFVRSGVINLGPADSTFLANVAHSAEQWQLNVEKLDAQGIMARWPEIRVPDNYIGLFETDSGFLRSELAIKTWIQLAKEAGCAQLFNCPVTAIRHDDDGVTIETADGEYQAKKAIVCAGTWVKDLLPELPVQPVRKVFAWYQADGRYSVKNKFPAFTGELPNGDQYYGFPAENDALKIGKHNGGQVIHSADERVPFAEVASDGSEAFPFLRNVLPGIGCCLYGAACTYDNSPDEDFIIDTLPGHDNTLLITGLSGHGFKFASVLGEIAADFAQDKKSDFDLTPFRLSRFQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12669
Length:	372 (337)
Sequences:	30540 (22661)
Seq/√Len:	1234.4

ECOLI - MTOX PUUB LHGO DADA MNMC GLPA GLPD MQO
BACSU - GLOX YURR YHFW GLPD
HALSA - Q9HSD9 Q9HNS4
SULSO - Q980U0 Q97VT4 Q97ZD5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
159_A	164_C	5.659	1.00
33_A	171_P	3.851	1.00
4_D	194_K	3.356	1.00
4_D	27_N	3.345	1.00
171_P	187_A	3.219	1.00
29_L	167_L	3.168	1.00
174_A	185_E	3.151	1.00
6_I	193_A	3.111	1.00
6_I	184_I	3.028	1.00
176_R	185_E	2.641	1.00
27_N	165_A	2.557	1.00
6_I	31_T	2.536	1.00
72_D	86_R	2.519	1.00
31_T	191_Y	2.505	1.00
22_T	162_A	2.435	1.00
5_L	21_A	2.420	1.00
118_D	121_G	2.402	1.00
66_R	348_E	2.341	1.00
5_L	26_L	2.228	1.00
22_T	164_C	2.211	1.00
122_I	137_G	2.184	1.00
26_L	355_Q	2.172	1.00
23_R	77_H	2.164	1.00
17_A	197_I	2.122	1.00
178_D	183_T	2.049	1.00
24_A	355_Q	1.986	1.00
20_Y	348_E	1.978	1.00
115_E	121_G	1.963	1.00
6_I	191_Y	1.959	1.00
156_I	160_K	1.932	1.00
173_T	187_A	1.931	1.00
195_K	330_L	1.929	1.00
73_E	77_H	1.857	1.00
173_T	185_E	1.848	1.00
15_A	156_I	1.832	1.00
22_T	159_A	1.822	1.00
20_Y	347_G	1.821	1.00
286_S	290_P	1.811	1.00
19_Y	158_L	1.808	1.00
332_I	346_L	1.758	1.00
121_G	124_A	1.748	1.00
352_D	357_K	1.743	1.00
23_R	162_A	1.727	1.00
176_R	183_T	1.711	1.00
15_A	152_I	1.694	1.00
158_L	161_E	1.691	1.00
335_L	346_L	1.673	1.00
186_T	191_Y	1.669	1.00
157_Q	160_K	1.656	1.00
183_T	192_Q	1.633	1.00
167_L	170_C	1.628	1.00
156_I	166_Q	1.626	1.00
330_L	354_A	1.619	1.00
158_L	162_A	1.618	1.00
195_K	354_A	1.597	1.00
197_I	354_A	1.595	1.00
4_D	29_L	1.580	1.00
330_L	350_A	1.578	1.00
24_A	357_K	1.574	1.00
170_C	186_T	1.573	1.00
119_A	123_M	1.572	1.00
70_L	73_E	1.570	1.00
223_Y	226_D	1.567	1.00
20_Y	24_A	1.564	1.00
204_V	333_T	1.548	1.00
198_V	204_V	1.545	1.00
19_Y	23_R	1.541	1.00
5_L	195_K	1.540	1.00
105_H	109_Q	1.531	1.00
98_T	101_A	1.528	1.00
175_I	182_V	1.524	1.00
101_A	105_H	1.522	1.00
172_V	184_I	1.509	1.00
31_T	167_L	1.500	1.00
83_I	150_L	1.500	1.00
177_H	182_V	1.498	1.00
70_L	348_E	1.486	1.00
101_A	116_K	1.475	1.00
332_I	350_A	1.469	1.00
36_P	168_F	1.464	1.00
282_A	286_S	1.453	1.00
347_G	351_A	1.447	1.00
157_Q	161_E	1.436	1.00
6_I	29_L	1.414	1.00
31_T	193_A	1.408	1.00
293_R	300_G	1.403	1.00
115_E	141_T	1.399	1.00
105_H	108_E	1.393	1.00
4_D	26_L	1.389	1.00
218_K	310_Y	1.389	1.00
29_L	191_Y	1.383	1.00
24_A	352_D	1.380	1.00
10_S	30_M	1.377	1.00
104_A	108_E	1.368	1.00
193_A	196_A	1.361	1.00
16_A	20_Y	1.358	1.00
29_L	165_A	1.357	1.00
13_V	332_I	1.351	1.00
20_Y	23_R	1.342	1.00
178_D	192_Q	1.341	1.00
66_R	69_T	1.332	1.00
41_G	44_H	1.329	1.00
113_N	142_D	1.327	1.00
36_P	156_I	1.321	1.00
19_Y	162_A	1.309	1.00
198_V	329_T	1.308	1.00
17_A	332_I	1.304	1.00
150_L	153_K	1.288	1.00
147_R	150_L	1.287	1.00
10_S	36_P	1.287	1.00
12_S	343_A	1.287	1.00
285_G	305_G	1.281	1.00
35_M	168_F	1.275	1.00
71_W	151_A	1.268	1.00
236_P	239_T	1.258	1.00
102_N	105_H	1.256	1.00
115_E	139_F	1.254	1.00
7_I	18_G	1.251	1.00
185_E	190_E	1.251	1.00
21_A	351_A	1.243	1.00
177_H	326_H	1.234	1.00
224_Q	303_L	1.233	1.00
34_H	38_H	1.229	1.00
30_M	166_Q	1.228	1.00
13_V	335_L	1.222	1.00
73_E	76_R	1.220	1.00
236_P	240_G	1.217	1.00
69_T	73_E	1.215	1.00
175_I	196_A	1.209	1.00
18_G	30_M	1.202	1.00
8_I	200_A	1.202	1.00
24_A	351_A	1.194	1.00
159_A	166_Q	1.193	1.00
178_D	181_G	1.175	1.00
348_E	352_D	1.174	1.00
15_A	159_A	1.172	1.00
84_F	144_G	1.168	1.00
349_I	352_D	1.164	1.00
198_V	331_L	1.160	1.00
8_I	196_A	1.151	1.00
120_Q	124_A	1.147	1.00
330_L	353_F	1.135	1.00
31_T	172_V	1.127	1.00
18_G	164_C	1.124	1.00
88_G	139_F	1.124	1.00
15_A	30_M	1.124	1.00
98_T	102_N	1.123	1.00
58_E	62_P	1.122	1.00
289_F	293_R	1.115	1.00
121_G	125_R	1.113	1.00
167_L	191_Y	1.102	1.00
117_L	121_G	1.101	1.00
182_V	328_N	1.098	1.00
182_V	196_A	1.094	1.00
235_F	239_T	1.094	1.00
149_E	153_K	1.093	1.00
67_A	71_W	1.092	1.00
186_T	189_G	1.091	1.00
235_F	238_F	1.090	1.00
297_P	300_G	1.083	1.00
72_D	76_R	1.080	1.00
195_K	198_V	1.077	1.00
323_L	331_L	1.072	1.00
17_A	347_G	1.068	1.00
18_G	28_V	1.062	1.00
35_M	169_N	1.058	1.00
7_I	17_A	1.045	1.00
37_P	152_I	1.043	1.00
37_P	168_F	1.026	1.00
96_D	135_Y	1.024	1.00
117_L	125_R	1.018	1.00
170_C	191_Y	1.017	1.00
186_T	190_E	1.012	1.00
332_I	335_L	1.007	1.00
34_H	39_Q	1.002	1.00
200_A	204_V	0.994	1.00
99_F	102_N	0.987	1.00
322_T	327_D	0.979	1.00
170_C	188_D	0.979	1.00
17_A	199_C	0.970	1.00
318_F	321_D	0.969	1.00
183_T	190_E	0.967	1.00
65_L	69_T	0.967	1.00
8_I	198_V	0.966	1.00
15_A	166_Q	0.964	1.00
175_I	184_I	0.960	1.00
316_E	321_D	0.960	1.00
291_F	294_N	0.960	1.00
125_R	139_F	0.959	1.00
199_C	332_I	0.957	1.00
104_A	116_K	0.954	1.00
290_P	294_N	0.954	1.00
293_R	298_G	0.954	1.00
21_A	26_L	0.953	1.00
290_P	293_R	0.947	1.00
115_E	125_R	0.946	1.00
196_A	328_N	0.945	1.00
146_L	151_A	0.938	1.00
10_S	32_D	0.936	1.00
260_I	292_L	0.935	1.00
326_H	329_T	0.932	1.00
103_V	106_S	0.928	1.00
195_K	322_T	0.925	1.00
13_V	199_C	0.920	1.00
18_G	159_A	0.918	1.00
16_A	155_W	0.916	1.00
28_V	164_C	0.914	1.00
75_S	82_P	0.906	1.00
154_T	158_L	0.905	1.00
16_A	347_G	0.904	1.00
351_A	354_A	0.900	1.00
317_D	320_I	0.899	1.00
68_Q	72_D	0.895	1.00
156_I	168_F	0.893	1.00
234_K	238_F	0.892	1.00
177_H	328_N	0.888	1.00
233_N	236_P	0.883	1.00
66_R	70_L	0.880	1.00
160_K	165_A	0.879	1.00
200_A	207_L	0.878	1.00
49_L	52_H	0.871	1.00
146_L	340_F	0.870	1.00
78_N	158_L	0.856	1.00
177_H	181_G	0.854	1.00
26_L	195_K	0.853	1.00
285_G	289_F	0.852	1.00
181_G	192_Q	0.850	1.00
8_I	172_V	0.850	1.00
206_D	209_P	0.849	1.00
309_T	312_N	0.842	1.00
48_R	51_R	0.841	1.00
235_F	240_G	0.840	1.00
195_K	328_N	0.839	1.00
24_A	348_E	0.830	1.00
281_V	284_D	0.829	1.00
49_L	53_A	0.823	1.00
20_Y	70_L	0.822	1.00
4_D	192_Q	0.820	1.00
318_F	322_T	0.819	1.00
19_Y	159_A	0.816	1.00
48_R	52_H	0.815	1.00
176_R	192_Q	0.812	1.00
151_A	340_F	0.808	1.00
237_A	240_G	0.808	1.00
104_A	138_L	0.807	1.00
101_A	104_A	0.804	1.00
236_P	241_E	0.802	1.00
22_T	27_N	0.802	1.00
320_I	323_L	0.801	1.00
287_E	290_P	0.801	1.00
71_W	343_A	0.800	1.00
198_V	208_L	0.799	1.00
22_T	28_V	0.799	1.00
234_K	239_T	0.798	1.00
320_I	346_L	0.798	1.00
19_Y	155_W	0.794	1.00
16_A	344_S	0.794	1.00
67_A	70_L	0.791	1.00
90_I	122_I	0.791	1.00
173_T	186_T	0.790	1.00
316_E	320_I	0.789	1.00
182_V	329_T	0.788	1.00
154_T	157_Q	0.787	1.00
32_D	168_F	0.787	1.00
108_E	113_N	0.786	1.00
21_A	354_A	0.781	1.00
44_H	47_T	0.780	1.00
194_K	328_N	0.777	1.00
151_A	344_S	0.775	1.00
222_W	225_A	0.771	1.00
171_P	206_D	0.768	1.00
119_A	122_I	0.766	1.00
120_Q	123_M	0.766	1.00
344_S	347_G	0.765	1.00
270_H	279_A	0.764	1.00
102_N	106_S	0.763	1.00
60_Y	64_V	0.761	1.00
320_I	324_P	0.759	1.00
27_N	194_K	0.754	1.00
177_H	327_D	0.753	1.00
88_G	141_T	0.752	1.00
257_A	303_L	0.751	1.00
58_E	61_V	0.750	1.00
32_D	35_M	0.749	1.00
108_E	114_V	0.747	1.00
217_R	265_G	0.747	1.00
31_T	186_T	0.746	1.00
17_A	354_A	0.743	1.00
233_N	239_T	0.738	1.00
107_A	112_L	0.738	1.00
222_W	259_K	0.735	1.00
5_L	197_I	0.734	1.00
224_Q	227_G	0.734	1.00
338_H	341_K	0.733	1.00
68_Q	71_W	0.732	1.00
343_A	347_G	0.730	1.00
287_E	291_F	0.729	1.00
107_A	111_Q	0.725	1.00
90_I	137_G	0.721	1.00
45_G	48_R	0.720	1.00
61_V	65_L	0.719	1.00
181_G	194_K	0.719	1.00
16_A	343_A	0.717	1.00
308_C	311_D	0.717	1.00
23_R	158_L	0.716	1.00
219_V	265_G	0.716	1.00
185_E	188_D	0.714	1.00
12_S	340_F	0.713	1.00
48_R	53_A	0.712	1.00
43_H	306_A	0.712	1.00
93_G	100_L	0.711	1.00
289_F	305_G	0.710	1.00
181_G	327_D	0.706	1.00
293_R	299_I	0.704	1.00
172_V	175_I	0.703	1.00
100_L	104_A	0.703	1.00
159_A	163_G	0.701	1.00
335_L	340_F	0.701	1.00
66_R	345_V	0.699	1.00
10_S	168_F	0.698	1.00
214_Q	266_G	0.698	1.00
62_P	65_L	0.697	1.00
4_D	191_Y	0.697	1.00
67_A	345_V	0.697	1.00
74_L	78_N	0.696	1.00
26_L	29_L	0.696	1.00
36_P	166_Q	0.694	1.00
30_M	159_A	0.693	1.00
238_F	241_E	0.691	1.00
197_I	350_A	0.690	1.00
151_A	155_W	0.690	1.00
223_Y	260_I	0.687	1.00
86_R	142_D	0.684	1.00
59_K	64_V	0.683	1.00
317_D	321_D	0.679	1.00
177_H	180_D	0.679	1.00
59_K	62_P	0.675	1.00
167_L	190_E	0.675	1.00
117_L	122_I	0.675	1.00
116_K	136_I	0.672	1.00
81_D	150_L	0.672	1.00
64_V	68_Q	0.671	1.00
351_A	355_Q	0.670	1.00
122_I	125_R	0.670	1.00
4_D	193_A	0.669	1.00
208_L	331_L	0.668	1.00
313_S	319_I	0.666	1.00
83_I	147_R	0.665	1.00
216_V	312_N	0.665	1.00
291_F	295_V	0.662	1.00
90_I	139_F	0.661	1.00
249_Y	261_G	0.660	1.00
170_C	187_A	0.660	1.00
221_A	302_C	0.659	1.00
261_G	266_G	0.656	1.00
152_I	156_I	0.652	1.00
306_A	309_T	0.651	1.00
283_S	286_S	0.651	1.00
233_N	238_F	0.650	1.00
320_I	350_A	0.647	1.00
330_L	357_K	0.647	1.00
6_I	196_A	0.647	1.00
17_A	350_A	0.646	1.00
62_P	66_R	0.645	1.00
293_R	301_C	0.644	1.00
107_A	110_W	0.644	1.00
10_S	156_I	0.643	1.00
103_V	107_A	0.642	1.00
223_Y	302_C	0.640	1.00
31_T	170_C	0.640	1.00
282_A	285_G	0.639	1.00
322_T	330_L	0.638	1.00
170_C	189_G	0.638	1.00
335_L	338_H	0.637	1.00
106_S	109_Q	0.635	1.00
173_T	188_D	0.635	1.00
85_V	145_F	0.634	1.00
322_T	353_F	0.633	1.00
246_D	251_F	0.632	1.00
5_L	28_V	0.632	1.00
308_C	312_N	0.631	1.00
259_K	263_H	0.629	1.00
12_S	152_I	0.628	1.00
332_I	347_G	0.624	1.00
71_W	75_S	0.622	1.00
65_L	68_Q	0.620	1.00
69_T	72_D	0.617	1.00
10_S	37_P	0.614	1.00
213_V	311_D	0.613	1.00
237_A	241_E	0.612	1.00
172_V	186_T	0.610	1.00
345_V	348_E	0.609	1.00
40_H	44_H	0.608	1.00
316_E	319_I	0.607	1.00
251_F	254_E	0.607	1.00
153_K	157_Q	0.607	1.00
71_W	74_L	0.606	1.00
180_D	327_D	0.605	1.00
150_L	154_T	0.604	1.00
222_W	304_Y	0.603	1.00
235_F	241_E	0.603	1.00
16_A	151_A	0.602	1.00
182_V	326_H	0.602	1.00
113_N	141_T	0.601	1.00
116_K	138_L	0.601	1.00
13_V	346_L	0.601	1.00
104_A	114_V	0.600	1.00
29_L	193_A	0.599	1.00
173_T	176_R	0.598	1.00
35_M	38_H	0.597	1.00
292_L	299_I	0.597	1.00
122_I	134_N	0.595	1.00
123_M	127_P	0.595	1.00
108_E	111_Q	0.593	1.00
20_Y	351_A	0.592	1.00
47_T	50_I	0.592	1.00
265_G	284_D	0.589	1.00
224_Q	257_A	0.589	1.00
30_M	164_C	0.588	1.00
37_P	156_I	0.588	1.00
352_D	356_D	0.586	1.00
70_L	74_L	0.586	1.00
123_M	130_R	0.584	1.00
233_N	237_A	0.582	1.00
43_H	47_T	0.582	1.00
64_V	67_A	0.581	1.00
71_W	344_S	0.581	1.00
220_F	306_A	0.580	1.00
337_G	341_K	0.579	1.00
286_S	289_F	0.578	1.00
175_I	329_T	0.577	1.00
290_P	300_G	0.577	1.00
130_R	133_D	0.576	1.00
265_G	268_V	0.576	1.00
322_T	328_N	0.574	1.00
345_V	349_I	0.571	1.00
187_A	190_E	0.570	1.00
321_D	324_P	0.570	1.00
248_Y	251_F	0.570	1.00
216_V	220_F	0.568	1.00
95_A	135_Y	0.566	1.00
117_L	139_F	0.566	1.00
234_K	237_A	0.564	1.00
24_A	356_D	0.563	1.00
47_T	53_A	0.561	1.00
221_A	288_A	0.560	1.00
41_G	152_I	0.558	1.00
89_V	143_S	0.556	1.00
246_D	249_Y	0.556	1.00
264_N	337_G	0.556	1.00
184_I	196_A	0.554	1.00
284_D	288_A	0.554	1.00
108_E	112_L	0.554	1.00
258_L	261_G	0.552	1.00
107_A	114_V	0.552	1.00
25_G	28_V	0.552	1.00
5_L	354_A	0.549	1.00
6_I	194_K	0.548	1.00
313_S	334_G	0.547	1.00
118_D	122_I	0.546	1.00
26_L	194_K	0.546	1.00
41_G	47_T	0.544	1.00
19_Y	22_T	0.543	1.00
40_H	43_H	0.541	1.00
45_G	50_I	0.541	1.00
318_F	324_P	0.540	1.00
47_T	51_R	0.539	1.00
263_H	284_D	0.535	1.00
72_D	84_F	0.534	1.00
260_I	263_H	0.531	1.00
7_I	28_V	0.529	1.00
160_K	166_Q	0.529	1.00
106_S	110_W	0.528	1.00
335_L	343_A	0.528	1.00
267_Q	270_H	0.525	1.00
177_H	183_T	0.523	1.00
217_R	307_A	0.522	1.00
181_G	328_N	0.521	1.00
337_G	340_F	0.519	1.00
61_V	64_V	0.517	1.00
10_S	166_Q	0.516	1.00
296_L	299_I	0.515	1.00
29_L	194_K	0.515	1.00
67_A	72_D	0.514	1.00
318_F	323_L	0.514	1.00
78_N	82_P	0.513	1.00
83_I	86_R	0.512	1.00
126_W	129_I	0.512	1.00
233_N	241_E	0.511	1.00
70_L	77_H	0.511	1.00
30_M	156_I	0.511	1.00
256_D	261_G	0.510	1.00
44_H	48_R	0.510	1.00
5_L	194_K	0.509	1.00
118_D	124_A	0.509	1.00
7_I	14_G	0.507	1.00
49_L	54_Y	0.507	1.00
254_E	257_A	0.507	1.00
316_E	324_P	0.505	1.00
74_L	77_H	0.505	1.00
40_H	46_D	0.504	1.00
99_F	103_V	0.503	1.00
316_E	322_T	0.503	1.00
313_S	318_F	0.503	1.00
315_D	318_F	0.502	1.00
45_G	49_L	0.500	1.00

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
2uzzA	1	1	100	0.226	Contact Map
2gf3A	1	0.9946	100	0.239	Contact Map
4h1bA	1	0.9597	100	0.239	Contact Map
1y56B	1	0.957	100	0.277	Contact Map
3axbA	2	0.9677	100	0.282	Contact Map
1ryiA	4	0.9435	100	0.283	Contact Map
4x9mA	1	0.9677	100	0.285	Contact Map
4rslA	1	0.9812	100	0.293	Contact Map
3pvcA	1	0.9382	100	0.294	Contact Map
2gagB	1	0.9543	100	0.296	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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