MTNE - BACSU - GREMLIN Contacts

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MTNE - Transaminase MtnE

UniProt:	O31665	Sequences: MKFEQSHVLKELPKQFFASLVQKVNRKLAEGHDVINLGQGNPDQPTPEHIVEEMKRAVADPENHKYSSFRGSYRLKSAAAAFYKREYGIDLDPETEVAVLFGGKAGLVELPQCLLNPGDTILVPDPGYPDYWSGVTLAKAKMEMMPLVKDRAFLPDYSSITAEIREQAKLMYLNYPNNPTGAVATSEFFEDTVRFAAENGICVVHDFAYGAVGFDGCKPLSFLQTEGAKDIGIEIYTLSKTYNMAGWRVGFAVGNASVIEAINLYQDHMFVSLFRATQEAAAEALLADQTCVAEQNARYESRRNAWITACREIGWDVTAPAGSFFAWLPVPEGYTSEQFSDLLLEKANVAVAAGNGFGEYGEGYVRVGLLTSEERLKEAAYRIGKLNLFTQKSIDKTL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	398 (349)
Sequences:	43249 (29711)
Seq/√Len:	1590.4

ECOLI - ALAC YBDL ALAA MALY YDCR YJIR AVTA HIS8
BACSU - MTNE AAT2 AAT1 PATA YUGH YDFD YISV CBL YHDI YDEF AAT3 YCXD GABR YDEL HIS8
HALSA - Q9HRM6 Q9HQK2 Q9HRX4 Q9HQW2 HIS8 Q9HPL0
SULSO - AAT Y104 Q97YX5 Q97TY7 HIS8 Q97ZX4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
55_K	59_A	3.315	1.00
120_T	141_K	3.054	1.00
78_A	286_L	2.876	1.00
100_L	106_G	2.874	1.00
305_A	377_K	2.803	1.00
347_A	385_K	2.708	1.00
115_L	140_A	2.698	1.00
300_E	304_N	2.686	1.00
84_K	90_D	2.618	1.00
316_D	329_P	2.586	1.00
186_S	190_E	2.570	1.00
301_S	373_E	2.472	1.00
119_D	169_K	2.442	1.00
161_T	198_E	2.420	1.00
74_R	282_A	2.379	1.00
254_G	259_I	2.328	1.00
378_E	382_R	2.295	1.00
120_T	143_E	2.226	1.00
48_E	52_E	2.128	1.00
307_I	311_R	2.105	1.00
185_T	188_F	2.090	1.00
108_V	112_Q	2.056	1.00
309_A	312_E	2.030	1.00
125_D	144_M	1.963	1.00
77_S	93_P	1.950	1.00
309_A	380_A	1.913	1.00
307_I	319_A	1.908	1.00
78_A	81_A	1.861	1.00
249_V	281_A	1.839	1.00
190_E	194_R	1.813	1.00
309_A	384_G	1.808	1.00
159_S	163_E	1.796	1.00
73_Y	77_S	1.796	1.00
305_A	309_A	1.777	1.00
342_L	386_L	1.761	1.00
81_A	286_L	1.750	1.00
309_A	313_I	1.750	1.00
80_A	93_P	1.740	1.00
204_V	235_I	1.726	1.00
52_E	56_R	1.707	1.00
161_T	191_D	1.706	1.00
135_V	140_A	1.704	1.00
378_E	381_Y	1.685	1.00
156_D	159_S	1.677	1.00
96_E	256_A	1.673	1.00
132_W	136_T	1.665	1.00
56_R	283_E	1.645	1.00
159_S	162_A	1.639	1.00
313_I	384_G	1.634	1.00
347_A	382_R	1.634	1.00
305_A	373_E	1.628	1.00
51_V	55_K	1.627	1.00
341_D	345_E	1.626	1.00
77_S	81_A	1.624	1.00
372_S	375_R	1.621	1.00
274_F	277_T	1.620	1.00
309_A	381_Y	1.613	1.00
78_A	282_A	1.607	1.00
308_T	312_E	1.606	1.00
196_A	203_V	1.604	1.00
110_L	233_I	1.603	1.00
154_L	188_F	1.603	1.00
120_T	167_Q	1.596	1.00
311_R	317_V	1.596	1.00
200_G	231_I	1.588	1.00
121_I	135_V	1.560	1.00
208_A	237_T	1.555	1.00
335_T	338_Q	1.545	1.00
304_N	308_T	1.544	1.00
157_Y	191_D	1.542	1.00
186_S	220_L	1.542	1.00
132_W	144_M	1.534	1.00
79_A	251_F	1.520	1.00
125_D	146_P	1.512	1.00
191_D	194_R	1.510	1.00
111_P	135_V	1.509	1.00
37_L	379_A	1.494	1.00
110_L	204_V	1.481	1.00
158_S	191_D	1.470	1.00
72_S	279_E	1.464	1.00
307_I	317_V	1.458	1.00
52_E	55_K	1.451	1.00
338_Q	342_L	1.451	1.00
306_W	326_A	1.451	1.00
252_A	262_I	1.449	1.00
120_T	165_R	1.447	1.00
91_L	253_V	1.442	1.00
70_R	263_N	1.433	1.00
53_E	56_R	1.426	1.00
122_L	168_A	1.424	1.00
312_E	384_G	1.419	1.00
103_G	235_I	1.408	1.00
351_V	365_V	1.399	1.00
148_V	188_F	1.395	1.00
188_F	191_D	1.387	1.00
170_L	204_V	1.379	1.00
123_V	142_M	1.374	1.00
309_A	377_K	1.368	1.00
73_Y	93_P	1.367	1.00
238_L	281_A	1.360	1.00
117_P	139_K	1.359	1.00
336_S	355_N	1.356	1.00
83_Y	253_V	1.356	1.00
53_E	283_E	1.352	1.00
337_E	355_N	1.351	1.00
293_A	297_A	1.348	1.00
298_R	301_S	1.341	1.00
282_A	286_L	1.338	1.00
307_I	326_A	1.337	1.00
120_T	168_A	1.326	1.00
306_W	380_A	1.315	1.00
112_Q	138_A	1.301	1.00
32_H	348_N	1.298	1.00
298_R	373_E	1.288	1.00
94_E	256_A	1.286	1.00
92_D	96_E	1.282	1.00
329_P	363_G	1.280	1.00
194_R	198_E	1.278	1.00
338_Q	341_D	1.275	1.00
329_P	364_Y	1.273	1.00
51_V	59_A	1.273	1.00
54_M	280_A	1.264	1.00
74_R	286_L	1.260	1.00
327_W	354_G	1.255	1.00
161_T	165_R	1.248	1.00
261_A	264_L	1.246	1.00
196_A	201_I	1.245	1.00
161_T	199_N	1.243	1.00
311_R	319_A	1.242	1.00
164_I	195_F	1.240	1.00
236_Y	251_F	1.238	1.00
146_P	159_S	1.228	1.00
148_V	151_R	1.228	1.00
190_E	225_T	1.223	1.00
157_Y	195_F	1.223	1.00
195_F	199_N	1.223	1.00
54_M	58_V	1.218	1.00
187_E	190_E	1.204	1.00
186_S	224_Q	1.196	1.00
328_L	367_V	1.192	1.00
373_E	377_K	1.185	1.00
194_R	197_A	1.184	1.00
377_K	381_Y	1.182	1.00
187_E	191_D	1.181	1.00
74_R	279_E	1.179	1.00
111_P	115_L	1.177	1.00
195_F	201_I	1.176	1.00
70_R	76_K	1.171	1.00
289_Q	293_A	1.167	1.00
161_T	195_F	1.166	1.00
106_G	252_A	1.161	1.00
298_R	302_R	1.160	1.00
303_R	369_L	1.159	1.00
98_A	259_I	1.156	1.00
111_P	172_Y	1.155	1.00
122_L	145_M	1.153	1.00
116_N	119_D	1.153	1.00
375_R	378_E	1.153	1.00
313_I	381_Y	1.152	1.00
197_A	229_K	1.146	1.00
260_E	264_L	1.143	1.00
101_F	105_A	1.141	1.00
56_R	60_D	1.137	1.00
381_Y	385_K	1.134	1.00
297_A	300_E	1.131	1.00
283_E	286_L	1.130	1.00
293_A	296_N	1.129	1.00
82_F	289_Q	1.125	1.00
76_K	80_A	1.123	1.00
233_I	254_G	1.112	1.00
193_V	228_A	1.106	1.00
56_R	59_A	1.102	1.00
303_R	307_I	1.096	1.00
305_A	308_T	1.096	1.00
230_D	255_N	1.092	1.00
113_C	265_Y	1.086	1.00
283_E	287_A	1.084	1.00
186_S	225_T	1.082	1.00
279_E	282_A	1.080	1.00
171_M	201_I	1.078	1.00
202_C	233_I	1.076	1.00
215_D	321_A	1.065	1.00
49_H	52_E	1.059	1.00
79_A	99_V	1.052	1.00
86_E	289_Q	1.046	1.00
75_L	99_V	1.044	1.00
162_A	166_E	1.042	1.00
302_R	305_A	1.039	1.00
297_A	301_S	1.036	1.00
105_A	266_Q	1.029	1.00
148_V	156_D	1.029	1.00
49_H	287_A	1.027	1.00
290_T	294_E	1.025	1.00
340_S	351_V	1.025	1.00
74_R	77_S	1.025	1.00
165_R	168_A	1.017	1.00
48_E	51_V	1.017	1.00
83_Y	251_F	1.014	1.00
148_V	159_S	1.012	1.00
221_S	224_Q	0.999	1.00
164_I	201_I	0.998	1.00
33_D	348_N	0.997	1.00
214_F	300_E	0.990	1.00
115_L	121_I	0.984	1.00
294_E	298_R	0.981	1.00
291_C	294_E	0.980	1.00
308_T	311_R	0.977	1.00
316_D	331_P	0.973	1.00
135_V	142_M	0.973	1.00
79_A	97_V	0.971	1.00
92_D	256_A	0.970	1.00
197_A	230_D	0.969	1.00
337_E	341_D	0.968	1.00
266_Q	270_F	0.967	1.00
304_N	319_A	0.965	1.00
331_P	363_G	0.964	1.00
336_S	363_G	0.964	1.00
121_I	170_L	0.964	1.00
202_C	231_I	0.963	1.00
190_E	228_A	0.962	1.00
233_I	252_A	0.960	1.00
347_A	386_L	0.950	1.00
80_A	97_V	0.950	1.00
343_L	351_V	0.948	1.00
157_Y	161_T	0.948	1.00
193_V	232_G	0.946	1.00
315_W	330_V	0.943	1.00
52_E	59_A	0.936	1.00
114_L	170_L	0.931	1.00
197_A	227_G	0.930	1.00
145_M	163_E	0.929	1.00
342_L	347_A	0.929	1.00
96_E	259_I	0.928	1.00
115_L	170_L	0.928	1.00
165_R	199_N	0.927	1.00
382_R	385_K	0.913	1.00
80_A	92_D	0.912	1.00
158_S	162_A	0.911	1.00
197_A	231_I	0.908	1.00
256_A	260_E	0.907	1.00
33_D	378_E	0.903	1.00
335_T	362_E	0.899	1.00
109_E	266_Q	0.899	1.00
197_A	228_A	0.897	1.00
202_C	258_V	0.894	1.00
97_V	253_V	0.892	1.00
136_T	142_M	0.891	1.00
213_G	219_P	0.886	1.00
124_P	155_P	0.882	1.00
233_I	258_V	0.879	1.00
114_L	202_C	0.878	1.00
235_I	252_A	0.877	1.00
294_E	297_A	0.876	1.00
342_L	345_E	0.874	1.00
72_S	282_A	0.874	1.00
106_G	235_I	0.873	1.00
259_I	263_N	0.872	1.00
203_V	222_F	0.868	1.00
103_G	237_T	0.862	1.00
254_G	262_I	0.856	1.00
122_L	163_E	0.855	1.00
291_C	295_Q	0.852	1.00
131_Y	172_Y	0.851	1.00
45_P	51_V	0.847	1.00
127_G	174_N	0.842	1.00
31_G	348_N	0.842	1.00
330_V	365_V	0.842	1.00
133_S	136_T	0.840	1.00
49_H	283_E	0.839	1.00
290_T	293_A	0.838	1.00
168_A	201_I	0.837	1.00
98_A	262_I	0.837	1.00
157_Y	192_T	0.833	1.00
51_V	58_V	0.832	1.00
302_R	372_S	0.832	1.00
82_F	86_E	0.830	1.00
158_S	161_T	0.827	1.00
301_S	305_A	0.827	1.00
337_E	353_A	0.822	1.00
220_L	224_Q	0.821	1.00
101_F	274_F	0.818	1.00
343_L	383_I	0.817	1.00
303_R	320_P	0.809	1.00
82_F	211_A	0.808	1.00
96_E	229_K	0.807	1.00
44_Q	298_R	0.807	1.00
86_E	211_A	0.806	1.00
306_W	309_A	0.806	1.00
339_F	365_V	0.806	1.00
249_V	273_L	0.805	1.00
113_C	262_I	0.805	1.00
222_F	225_T	0.799	1.00
73_Y	76_K	0.799	1.00
72_S	278_Q	0.798	1.00
124_P	145_M	0.796	1.00
89_I	223_L	0.792	1.00
249_V	277_T	0.789	1.00
304_N	307_I	0.783	1.00
53_E	57_A	0.780	1.00
313_I	380_A	0.780	1.00
157_Y	188_F	0.779	1.00
336_S	353_A	0.777	1.00
351_V	367_V	0.777	1.00
81_A	84_K	0.775	1.00
186_S	218_K	0.771	1.00
367_V	379_A	0.765	1.00
340_S	353_A	0.765	1.00
222_F	232_G	0.761	1.00
371_T	375_R	0.760	1.00
213_G	216_G	0.760	1.00
103_G	208_A	0.756	1.00
122_L	160_I	0.756	1.00
49_H	291_C	0.755	1.00
105_A	270_F	0.752	1.00
193_V	203_V	0.752	1.00
147_L	177_N	0.751	1.00
108_V	138_A	0.750	1.00
98_A	252_A	0.745	1.00
63_N	279_E	0.744	1.00
306_W	369_L	0.742	1.00
143_E	163_E	0.739	1.00
355_N	362_E	0.735	1.00
308_T	377_K	0.730	1.00
327_W	364_Y	0.728	1.00
104_K	130_D	0.725	1.00
177_N	180_T	0.722	1.00
145_M	159_S	0.722	1.00
57_A	60_D	0.721	1.00
76_K	93_P	0.721	1.00
301_S	304_N	0.719	1.00
223_L	234_E	0.719	1.00
205_H	222_F	0.717	1.00
349_V	383_I	0.717	1.00
292_V	296_N	0.716	1.00
112_Q	265_Y	0.715	1.00
349_V	382_R	0.714	1.00
125_D	358_G	0.712	1.00
315_W	328_L	0.711	1.00
151_R	159_S	0.710	1.00
109_E	262_I	0.707	1.00
228_A	231_I	0.707	1.00
105_A	109_E	0.706	1.00
154_L	185_T	0.704	1.00
241_T	292_V	0.701	1.00
164_I	199_N	0.701	1.00
120_T	169_K	0.696	1.00
211_A	241_T	0.692	1.00
381_Y	384_G	0.692	1.00
339_F	343_L	0.692	1.00
275_R	279_E	0.689	1.00
303_R	319_A	0.683	1.00
164_I	168_A	0.683	1.00
300_E	303_R	0.683	1.00
123_V	135_V	0.679	1.00
110_L	262_I	0.679	1.00
80_A	91_L	0.679	1.00
148_V	154_L	0.678	1.00
183_V	322_G	0.677	1.00
115_L	119_D	0.676	1.00
46_T	50_I	0.676	1.00
215_D	300_E	0.675	1.00
78_A	285_L	0.673	1.00
54_M	276_A	0.673	1.00
82_F	87_Y	0.673	1.00
336_S	340_S	0.668	1.00
254_G	258_V	0.662	1.00
42_P	299_Y	0.657	1.00
302_R	373_E	0.655	1.00
82_F	242_Y	0.654	1.00
108_V	269_M	0.653	1.00
122_L	171_M	0.652	1.00
143_E	168_A	0.652	1.00
328_L	364_Y	0.652	1.00
33_D	375_R	0.649	1.00
160_I	195_F	0.649	1.00
184_A	188_F	0.648	1.00
155_P	188_F	0.646	1.00
279_E	283_E	0.642	1.00
228_A	232_G	0.640	1.00
257_S	260_E	0.636	1.00
207_F	234_E	0.635	1.00
296_N	300_E	0.634	1.00
214_F	322_G	0.634	1.00
68_S	73_Y	0.633	1.00
87_Y	210_G	0.632	1.00
124_P	177_N	0.632	1.00
306_W	376_L	0.632	1.00
374_E	377_K	0.629	1.00
77_S	80_A	0.628	1.00
160_I	171_M	0.626	1.00
173_L	189_F	0.626	1.00
305_A	380_A	0.624	1.00
151_R	154_L	0.623	1.00
121_I	140_A	0.622	1.00
111_P	170_L	0.620	1.00
295_Q	299_Y	0.619	1.00
314_G	331_P	0.615	1.00
336_S	362_E	0.615	1.00
260_E	263_N	0.613	1.00
334_Y	339_F	0.613	1.00
123_V	144_M	0.612	1.00
210_G	236_Y	0.612	1.00
339_F	386_L	0.611	1.00
100_L	252_A	0.610	1.00
48_E	59_A	0.609	1.00
238_L	251_F	0.604	1.00
149_K	329_P	0.603	1.00
349_V	379_A	0.602	1.00
263_N	266_Q	0.600	1.00
184_A	189_F	0.600	1.00
310_C	328_L	0.599	1.00
168_A	171_M	0.599	1.00
91_L	96_E	0.599	1.00
37_L	376_L	0.599	1.00
332_E	335_T	0.599	1.00
108_V	134_G	0.597	1.00
131_Y	135_V	0.596	1.00
162_A	165_R	0.595	1.00
146_P	163_E	0.589	1.00
75_L	281_A	0.588	1.00
67_S	72_S	0.588	1.00
118_G	141_K	0.587	1.00
343_L	386_L	0.585	1.00
57_A	280_A	0.585	1.00
57_A	279_E	0.584	1.00
49_H	290_T	0.584	1.00
102_G	248_R	0.583	1.00
227_G	230_D	0.582	1.00
34_V	350_A	0.580	1.00
312_E	377_K	0.579	1.00
220_L	225_T	0.578	1.00
238_L	285_L	0.578	1.00
98_A	263_N	0.577	1.00
372_S	377_K	0.576	1.00
175_Y	207_F	0.576	1.00
280_A	283_E	0.575	1.00
165_R	198_E	0.575	1.00
212_V	299_Y	0.575	1.00
230_D	257_S	0.574	1.00
154_L	182_A	0.572	1.00
155_P	160_I	0.570	1.00
76_K	263_N	0.569	1.00
183_V	213_G	0.567	1.00
182_A	321_A	0.567	1.00
191_D	195_F	0.566	1.00
150_D	154_L	0.563	1.00
334_Y	338_Q	0.563	1.00
207_F	210_G	0.563	1.00
51_V	54_M	0.562	1.00
214_F	303_R	0.562	1.00
146_P	156_D	0.562	1.00
36_N	41_N	0.561	1.00
83_Y	234_E	0.559	1.00
107_L	134_G	0.558	1.00
317_V	326_A	0.558	1.00
344_L	350_A	0.558	1.00
215_D	303_R	0.557	1.00
99_V	249_V	0.557	1.00
74_R	78_A	0.556	1.00
57_A	283_E	0.555	1.00
278_Q	282_A	0.555	1.00
143_E	165_R	0.555	1.00
266_Q	273_L	0.554	1.00
104_K	128_Y	0.550	1.00
207_F	221_S	0.550	1.00
219_P	222_F	0.550	1.00
50_I	284_A	0.549	1.00
98_A	254_G	0.549	1.00
334_Y	342_L	0.548	1.00
46_T	51_V	0.548	1.00
161_T	164_I	0.548	1.00
129_P	356_G	0.546	1.00
46_T	49_H	0.545	1.00
55_K	58_V	0.544	1.00
113_C	261_A	0.544	1.00
196_A	200_G	0.544	1.00
60_D	63_N	0.544	1.00
35_I	378_E	0.543	1.00
163_E	166_E	0.543	1.00
36_N	39_Q	0.542	1.00
111_P	138_A	0.542	1.00
359_E	362_E	0.541	1.00
101_F	273_L	0.541	1.00
171_M	196_A	0.540	1.00
43_D	302_R	0.540	1.00
318_T	329_P	0.539	1.00
172_Y	204_V	0.539	1.00
382_R	386_L	0.538	1.00
116_N	169_K	0.536	1.00
242_Y	289_Q	0.536	1.00
123_V	132_W	0.536	1.00
84_K	89_I	0.534	1.00
289_Q	292_V	0.531	1.00
112_Q	269_M	0.530	1.00
220_L	223_L	0.530	1.00
60_D	283_E	0.529	1.00
47_P	50_I	0.528	1.00
53_E	280_A	0.528	1.00
255_N	258_V	0.526	1.00
151_R	156_D	0.526	1.00
47_P	51_V	0.526	1.00
111_P	134_G	0.523	1.00
257_S	261_A	0.522	1.00
378_E	385_K	0.520	1.00
229_K	232_G	0.519	1.00
119_D	167_Q	0.518	1.00
75_L	282_A	0.517	1.00
110_L	170_L	0.517	1.00
109_E	265_Y	0.516	1.00
106_G	250_G	0.515	1.00
175_Y	183_V	0.514	1.00
295_Q	298_R	0.514	1.00
38_G	350_A	0.512	1.00
71_G	76_K	0.511	1.00
170_L	202_C	0.510	1.00
354_G	364_Y	0.509	1.00
354_G	357_F	0.506	1.00
72_S	275_R	0.506	1.00
176_P	322_G	0.505	1.00
221_S	234_E	0.504	1.00
212_V	296_N	0.503	1.00
75_L	79_A	0.502	1.00
209_Y	325_F	0.500	1.00
67_S	275_R	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
2x5dA	3	0.9472	100	0.284	Contact Map
3dydA	2	0.9296	100	0.285	Contact Map
3h14A	2	0.9221	100	0.289	Contact Map
1xi9A	4	0.9648	100	0.291	Contact Map
1j32A	2	0.9673	100	0.292	Contact Map
4my5A	2	0.9598	100	0.294	Contact Map
2o1bA	2	0.9422	100	0.295	Contact Map
1yizA	2	0.9623	100	0.295	Contact Map
1b5pA	2	0.9497	100	0.297	Contact Map
1gd9A	2	0.9673	100	0.297	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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