Q9HMQ7 - HALSA - GREMLIN Contacts

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Q9HMQ7 - Threonine synthase

UniProt:	Q9HMQ7	Sequences: MTDLSLAGETPACATDGVWLACVECGGTLAPFADVVYRCPECSGLLEARYADYPGFEAFSGRGVWRYADALPVDAGVSVQEGDTPLYEAPDVAAAAGVADVRVKHEGMNPTGSFKDRGMTVGVRVAERLGVDRLACASTGNTSAALAAYGGRADTPVLVLLPAGKVAAGKIAQAALHGARICEVDGNFDDCLDVVAELAARGEAYLLNSLNPFRLEGQKTIAFEILEQSRTATGEWPDRIVLPVGNAGNTAALYKAFRELVAAGAMTDDEMPALTGVQAAGAAPMVEAVEAGRGRTERWTDVETRATAIRIGNPVNAPKALPGVYETGGTAVAVSDDRITDAQRMLAGDGIGVEPASAASVAGLLALRERGEISADERVVCLTTGHLLKDPAAAAAAGGDTTPVPADADGVLDAL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	415 (320)
Sequences:	9017 (4923)
Seq/√Len:	275.2

ECOLI - SDHD DPAL ILVA TRPB TDCB CYSK CYSM DCYD THRC
BACSU - SDHD ILVA THRC TRPB CYSK CYSM MCCA
HALSA - Q9HMQ7 Q9HRU4 Q9HNH0 Q9HNH6 TRPB Q9HQ70
SULSO - Q97ZL6 Q97ZT5 Q980P1 TRPB1 TRPB2 Q980F2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
150_G	157_V	4.603	1.00
225_I	380_V	3.747	1.00
338_R	366_A	3.447	1.00
163_A	185_D	3.435	1.00
273_A	330_T	3.314	1.00
100_D	378_R	3.251	1.00
197_E	201_R	3.228	1.00
88_E	100_D	3.221	1.00
239_R	275_T	3.157	1.00
156_P	180_R	2.754	1.00
280_A	335_S	2.749	1.00
194_V	197_E	2.650	1.00
158_L	180_R	2.644	1.00
240_I	257_F	2.502	1.00
235_E	378_R	2.430	1.00
374_S	377_E	2.405	1.00
88_E	93_A	2.364	1.00
219_K	223_F	2.300	1.00
86_L	380_V	2.238	1.00
158_L	182_C	2.167	1.00
83_D	228_Q	2.139	1.00
160_L	198_L	2.136	1.00
168_A	172_A	2.126	1.00
83_D	227_E	2.087	1.00
88_E	102_R	2.083	1.00
345_M	365_L	2.076	1.00
125_V	213_F	2.066	1.00
95_A	345_M	2.048	1.00
240_I	253_L	2.030	1.00
277_V	363_G	2.008	1.00
127_E	130_G	2.003	1.00
360_S	381_C	1.997	1.00
335_S	338_R	1.980	1.00
283_A	287_E	1.939	1.00
253_L	382_L	1.912	1.00
222_A	253_L	1.874	1.00
254_Y	327_T	1.871	1.00
111_T	148_A	1.834	1.00
102_R	229_S	1.792	1.00
261_V	271_M	1.783	1.00
322_P	326_E	1.782	1.00
286_V	290_E	1.753	1.00
241_V	277_V	1.724	1.00
90_P	94_A	1.718	1.00
238_D	377_E	1.682	1.00
239_R	273_A	1.682	1.00
102_R	378_R	1.665	1.00
261_V	272_P	1.650	1.00
275_T	330_T	1.636	1.00
222_A	256_A	1.631	1.00
133_R	158_L	1.597	1.00
229_S	380_V	1.582	1.00
187_N	190_D	1.573	1.00
237_P	380_V	1.553	1.00
222_A	257_F	1.543	1.00
91_D	94_A	1.542	1.00
136_C	159_V	1.533	1.00
241_V	364_L	1.532	1.00
226_L	260_L	1.513	1.00
309_I	359_A	1.503	1.00
305_R	340_T	1.501	1.00
282_A	289_V	1.489	1.00
96_A	365_L	1.484	1.00
210_L	251_A	1.480	1.00
84_T	109_N	1.470	1.00
175_A	180_R	1.465	1.00
353_V	383_T	1.442	1.00
332_V	363_G	1.441	1.00
87_Y	105_H	1.430	1.00
239_R	379_V	1.430	1.00
189_D	192_L	1.426	1.00
344_R	398_G	1.401	1.00
241_V	367_L	1.397	1.00
86_L	229_S	1.393	1.00
133_R	156_P	1.391	1.00
250_T	328_G	1.386	1.00
194_V	198_L	1.382	1.00
229_S	237_P	1.348	1.00
258_R	329_G	1.347	1.00
244_V	276_G	1.346	1.00
373_I	377_E	1.344	1.00
238_D	378_R	1.344	1.00
211_N	214_R	1.341	1.00
123_V	153_A	1.340	1.00
103_V	346_L	1.339	1.00
277_V	332_V	1.335	1.00
239_R	377_E	1.302	1.00
306_A	339_I	1.301	1.00
122_G	211_N	1.301	1.00
225_I	253_L	1.298	1.00
171_I	175_A	1.296	1.00
138_S	143_S	1.295	1.00
127_E	155_T	1.291	1.00
357_S	384_T	1.286	1.00
197_E	200_A	1.285	1.00
346_L	353_V	1.279	1.00
281_G	336_D	1.272	1.00
241_V	275_T	1.270	1.00
287_E	290_E	1.269	1.00
340_T	397_A	1.267	1.00
364_L	381_C	1.255	1.00
92_V	361_V	1.251	1.00
229_S	378_R	1.251	1.00
344_R	348_G	1.250	1.00
76_G	121_V	1.246	1.00
298_R	313_N	1.242	1.00
164_G	167_A	1.240	1.00
337_D	341_D	1.239	1.00
283_A	333_A	1.228	1.00
80_Q	120_T	1.224	1.00
342_A	362_A	1.224	1.00
276_G	331_A	1.223	1.00
101_V	364_L	1.218	1.00
343_Q	389_K	1.214	1.00
343_Q	358_A	1.214	1.00
392_A	396_A	1.213	1.00
89_A	103_V	1.213	1.00
69_D	72_P	1.212	1.00
361_V	381_C	1.209	1.00
278_Q	284_P	1.205	1.00
254_Y	274_L	1.204	1.00
239_R	373_I	1.199	1.00
160_L	197_E	1.196	1.00
275_T	332_V	1.195	1.00
279_A	309_I	1.192	1.00
273_A	377_E	1.174	1.00
71_L	74_D	1.169	1.00
304_T	310_R	1.164	1.00
190_D	193_D	1.159	1.00
347_A	352_G	1.159	1.00
216_E	219_K	1.159	1.00
209_S	212_P	1.157	1.00
68_A	72_P	1.153	1.00
70_A	73_V	1.147	1.00
334_V	362_A	1.143	1.00
289_V	331_A	1.142	1.00
342_A	361_V	1.142	1.00
81_E	109_N	1.141	1.00
67_Y	71_L	1.135	1.00
146_L	159_V	1.133	1.00
132_D	156_P	1.132	1.00
357_S	383_T	1.131	1.00
346_L	361_V	1.129	1.00
353_V	358_A	1.124	1.00
75_A	79_V	1.124	1.00
262_A	271_M	1.123	1.00
216_E	255_K	1.118	1.00
393_A	396_A	1.109	1.00
166_V	307_T	1.106	1.00
223_F	256_A	1.101	1.00
286_V	333_A	1.101	1.00
240_I	274_L	1.089	1.00
171_I	183_E	1.079	1.00
287_E	291_A	1.075	1.00
151_G	157_V	1.071	1.00
123_V	134_L	1.066	1.00
324_V	328_G	1.065	1.00
341_D	345_M	1.064	1.00
191_C	195_V	1.052	1.00
143_S	174_A	1.046	1.00
285_M	324_V	1.043	1.00
172_A	175_A	1.024	1.00
161_L	174_A	1.016	1.00
119_M	145_A	1.012	1.00
196_A	200_A	1.004	1.00
290_E	293_R	1.002	1.00
68_A	71_L	1.002	1.00
343_Q	394_A	1.000	1.00
244_V	331_A	0.987	1.00
257_F	272_P	0.976	1.00
198_L	202_G	0.976	1.00
132_D	197_E	0.976	1.00
75_A	78_S	0.973	1.00
284_P	287_E	0.971	1.00
362_A	366_A	0.970	1.00
188_F	191_C	0.966	1.00
163_A	183_E	0.964	1.00
285_M	331_A	0.961	1.00
193_D	197_E	0.960	1.00
255_K	259_E	0.959	1.00
230_R	236_W	0.956	1.00
253_L	274_L	0.955	1.00
340_T	355_P	0.955	1.00
192_L	196_A	0.950	1.00
148_A	177_H	0.946	1.00
283_A	286_V	0.944	1.00
226_L	230_R	0.940	1.00
251_A	320_A	0.922	1.00
286_V	331_A	0.921	1.00
64_V	128_R	0.921	1.00
338_R	341_D	0.920	1.00
100_D	376_D	0.914	1.00
226_L	257_F	0.912	1.00
280_A	333_A	0.908	1.00
103_V	383_T	0.907	1.00
104_K	224_E	0.906	1.00
192_L	195_V	0.902	1.00
188_F	192_L	0.900	1.00
322_P	325_Y	0.893	1.00
221_I	249_N	0.893	1.00
320_A	331_A	0.893	1.00
146_L	157_V	0.892	1.00
395_A	399_G	0.892	1.00
215_L	255_K	0.890	1.00
135_A	204_A	0.886	1.00
241_V	363_G	0.885	1.00
346_L	383_T	0.883	1.00
339_I	359_A	0.882	1.00
342_A	365_L	0.879	1.00
281_G	302_V	0.878	1.00
293_R	297_E	0.875	1.00
137_A	188_F	0.873	1.00
74_D	78_S	0.872	1.00
250_T	324_V	0.871	1.00
105_H	108_M	0.867	1.00
225_I	382_L	0.864	1.00
76_G	124_R	0.856	1.00
123_V	133_R	0.851	1.00
161_L	183_E	0.850	1.00
292_G	325_Y	0.848	1.00
221_I	253_L	0.847	1.00
250_T	276_G	0.844	1.00
147_A	179_A	0.843	1.00
111_T	116_D	0.841	1.00
393_A	397_A	0.840	1.00
242_L	253_L	0.839	1.00
96_A	345_M	0.835	1.00
166_V	183_E	0.829	1.00
86_L	225_I	0.828	0.99
125_V	128_R	0.824	0.99
186_G	190_D	0.824	0.99
208_N	211_N	0.821	0.99
172_A	176_L	0.820	0.99
244_V	285_M	0.815	0.99
148_A	152_R	0.814	0.99
244_V	250_T	0.814	0.99
135_A	199_A	0.813	0.99
324_V	331_A	0.812	0.99
64_V	67_Y	0.811	0.99
215_L	319_K	0.809	0.99
74_D	223_F	0.809	0.99
99_A	379_V	0.806	0.99
273_A	329_G	0.804	0.99
93_A	101_V	0.802	0.99
289_V	292_G	0.801	0.99
160_L	194_V	0.799	0.99
277_V	334_V	0.795	0.99
221_I	382_L	0.794	0.99
309_I	356_A	0.791	0.99
93_A	98_V	0.790	0.99
158_L	204_A	0.786	0.99
332_V	366_A	0.786	0.99
245_G	308_A	0.785	0.99
366_A	369_E	0.783	0.99
273_A	372_E	0.782	0.99
308_A	356_A	0.781	0.99
171_I	181_I	0.778	0.99
363_G	367_L	0.778	0.99
78_S	81_E	0.778	0.99
285_M	314_P	0.775	0.99
174_A	179_A	0.773	0.99
93_A	100_D	0.772	0.99
85_P	108_M	0.770	0.99
92_V	345_M	0.770	0.99
278_Q	314_P	0.767	0.99
236_W	378_R	0.767	0.99
227_E	260_L	0.766	0.99
123_V	155_T	0.763	0.99
275_T	367_L	0.759	0.99
215_L	323_G	0.759	0.99
71_L	75_A	0.757	0.99
334_V	363_G	0.755	0.99
284_P	314_P	0.750	0.99
239_R	367_L	0.749	0.99
81_E	116_D	0.748	0.99
369_E	373_I	0.747	0.99
98_V	101_V	0.746	0.99
225_I	237_P	0.745	0.99
236_W	272_P	0.744	0.99
97_G	375_A	0.743	0.99
207_L	210_L	0.742	0.99
84_T	113_S	0.741	0.99
275_T	363_G	0.737	0.99
105_H	383_T	0.737	0.99
92_V	101_V	0.736	0.99
120_T	124_R	0.736	0.99
353_V	357_S	0.735	0.99
170_K	307_T	0.734	0.99
213_F	216_E	0.733	0.99
258_R	271_M	0.732	0.99
144_A	173_Q	0.732	0.99
277_V	333_A	0.731	0.99
123_V	146_L	0.729	0.99
106_E	384_T	0.728	0.99
198_L	204_A	0.726	0.99
330_T	367_L	0.723	0.99
288_A	321_L	0.723	0.99
96_A	364_L	0.721	0.99
364_L	379_V	0.719	0.99
392_A	395_A	0.716	0.99
330_T	372_E	0.716	0.99
81_E	84_T	0.716	0.99
91_D	349_D	0.715	0.99
172_A	395_A	0.713	0.99
281_G	303_E	0.711	0.98
205_Y	208_N	0.710	0.98
251_A	319_K	0.710	0.98
146_L	150_G	0.706	0.98
116_D	148_A	0.703	0.98
123_V	206_L	0.702	0.98
367_L	373_I	0.702	0.98
133_R	150_G	0.695	0.98
144_A	174_A	0.694	0.98
101_V	381_C	0.694	0.98
130_G	205_Y	0.693	0.98
287_E	297_E	0.693	0.98
89_A	349_D	0.687	0.98
288_A	291_A	0.684	0.98
335_S	366_A	0.684	0.98
180_R	202_G	0.683	0.98
236_W	260_L	0.682	0.98
119_M	149_Y	0.679	0.98
338_R	362_A	0.679	0.98
321_L	325_Y	0.678	0.98
67_Y	223_F	0.675	0.98
93_A	96_A	0.674	0.98
195_V	206_L	0.673	0.98
334_V	339_I	0.672	0.98
90_P	152_R	0.669	0.98
219_K	256_A	0.669	0.98
135_A	160_L	0.664	0.98
125_V	129_L	0.662	0.98
225_I	257_F	0.660	0.98
135_A	195_V	0.657	0.97
196_A	199_A	0.657	0.97
240_I	380_V	0.656	0.97
195_V	199_A	0.656	0.97
160_L	184_V	0.656	0.97
126_A	130_G	0.653	0.97
82_G	110_P	0.649	0.97
347_A	394_A	0.648	0.97
160_L	182_C	0.648	0.97
364_L	373_I	0.647	0.97
107_G	351_I	0.645	0.97
157_V	179_A	0.645	0.97
126_A	133_R	0.644	0.97
334_V	366_A	0.643	0.97
238_D	376_D	0.641	0.97
133_R	204_A	0.641	0.97
223_F	259_E	0.637	0.97
290_E	330_T	0.636	0.97
193_D	196_A	0.635	0.97
128_R	131_V	0.634	0.97
364_L	368_R	0.634	0.97
305_R	336_D	0.633	0.97
219_K	259_E	0.630	0.97
173_Q	177_H	0.629	0.97
242_L	250_T	0.626	0.97
363_G	366_A	0.623	0.97
282_A	302_V	0.622	0.96
137_A	195_V	0.620	0.96
139_T	308_A	0.619	0.96
396_A	399_G	0.619	0.96
99_A	376_D	0.618	0.96
212_P	319_K	0.618	0.96
69_D	73_V	0.617	0.96
337_D	340_T	0.616	0.96
225_I	240_I	0.615	0.96
323_G	327_T	0.613	0.96
313_N	318_P	0.613	0.96
90_P	93_A	0.612	0.96
126_A	155_T	0.611	0.96
89_A	92_V	0.610	0.96
77_V	81_E	0.610	0.96
98_V	368_R	0.610	0.96
318_P	322_P	0.607	0.96
170_K	354_E	0.606	0.96
71_L	260_L	0.605	0.96
368_R	373_I	0.604	0.96
163_A	166_V	0.604	0.96
116_D	152_R	0.604	0.96
184_V	194_V	0.601	0.96
191_C	207_L	0.600	0.96
245_G	311_I	0.599	0.96
341_D	348_G	0.597	0.96
365_L	369_E	0.597	0.96
258_R	326_E	0.597	0.96
378_R	382_L	0.595	0.95
81_E	120_T	0.595	0.95
206_L	209_S	0.595	0.95
135_A	198_L	0.594	0.95
253_L	256_A	0.592	0.95
341_D	365_L	0.592	0.95
318_P	321_L	0.591	0.95
291_A	297_E	0.591	0.95
67_Y	70_A	0.590	0.95
218_Q	246_N	0.588	0.95
226_L	256_A	0.587	0.95
114_F	249_N	0.587	0.95
122_G	207_L	0.586	0.95
294_G	297_E	0.586	0.95
243_P	360_S	0.586	0.95
240_I	256_A	0.584	0.95
321_L	324_V	0.583	0.95
251_A	323_G	0.582	0.95
117_R	220_T	0.577	0.95
134_L	155_T	0.575	0.95
151_G	177_H	0.575	0.95
123_V	149_Y	0.575	0.95
352_G	387_L	0.573	0.94
190_D	194_V	0.573	0.94
96_A	368_R	0.566	0.94
373_I	376_D	0.564	0.94
127_E	153_A	0.564	0.94
317_A	321_L	0.561	0.94
226_L	236_W	0.561	0.94
221_I	225_I	0.559	0.94
373_I	379_V	0.556	0.94
101_V	368_R	0.556	0.94
106_E	117_R	0.556	0.94
196_A	298_R	0.556	0.94
86_L	102_R	0.554	0.93
124_R	128_R	0.553	0.93
121_V	124_R	0.553	0.93
215_L	251_A	0.553	0.93
122_G	130_G	0.552	0.93
74_D	77_V	0.550	0.93
229_S	236_W	0.549	0.93
65_W	216_E	0.548	0.93
139_T	170_K	0.546	0.93
288_A	294_G	0.546	0.93
251_A	255_K	0.546	0.93
67_Y	259_E	0.545	0.93
160_L	191_C	0.543	0.93
66_R	227_E	0.538	0.92
63_G	67_Y	0.537	0.92
235_E	238_D	0.537	0.92
122_G	208_N	0.537	0.92
84_T	104_K	0.535	0.92
63_G	69_D	0.534	0.92
244_V	384_T	0.534	0.92
77_V	120_T	0.533	0.92
166_V	175_A	0.533	0.92
230_R	234_G	0.532	0.92
293_R	321_L	0.532	0.92
257_F	260_L	0.531	0.92
87_Y	107_G	0.530	0.92
369_E	372_E	0.528	0.92
63_G	68_A	0.528	0.92
223_F	227_E	0.528	0.92
219_K	255_K	0.524	0.91
241_V	381_C	0.524	0.91
74_D	227_E	0.524	0.91
98_V	375_A	0.523	0.91
354_E	385_G	0.521	0.91
94_A	97_G	0.520	0.91
150_G	155_T	0.518	0.91
242_L	249_N	0.517	0.91
138_S	354_E	0.517	0.91
258_R	323_G	0.517	0.91
254_Y	329_G	0.516	0.91
86_L	228_Q	0.515	0.91
116_D	149_Y	0.513	0.91
218_Q	248_G	0.513	0.91
164_G	183_E	0.513	0.91
256_A	259_E	0.513	0.91
126_A	205_Y	0.512	0.90
182_C	194_V	0.510	0.90
367_L	372_E	0.509	0.90
258_R	274_L	0.508	0.90
63_G	66_R	0.507	0.90
329_G	332_V	0.506	0.90
287_E	292_G	0.506	0.90
257_F	382_L	0.506	0.90
391_P	395_A	0.506	0.90
176_L	344_R	0.505	0.90
357_S	360_S	0.503	0.90
358_A	361_V	0.501	0.90
73_V	128_R	0.500	0.89
230_R	235_E	0.500	0.89

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
1e5xA	2	0.9181	100	0.238	Contact Map
2zsjA	2	0.8265	100	0.333	Contact Map
2d1fA	2	0.8265	100	0.335	Contact Map
3aeyA	2	0.8217	100	0.339	Contact Map
3ss7X	1	0.9036	100	0.368	Contact Map
1tdjA	2	0.8096	100	0.37	Contact Map
2gn0A	2	0.7855	100	0.398	Contact Map
1v71A	2	0.759	100	0.399	Contact Map
1kl7A	1	0.9253	100	0.408	Contact Map
2rkbA	2	0.747	100	0.41	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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