ILVA - BACSU - GREMLIN Contacts

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ILVA - L-threonine dehydratase biosynthetic IlvA

UniProt:	P37946	Sequences: MKPLLKENSLIQVKHILKAHQNVKDVVIHTPLQRNDRLSERYECNIYLKREDLQVVRSFKLRGAYHKMKQLSSEQTENGVVCASAGNHAQGVAFSCKHLGIHGKIFMPSTTPRQKVSQVELFGKGFIDIILTGDTFDDVYKSAAECCEAESRTFIHPFDDPDVMAGQGTLAVEILNDIDTEPHFLFASVGGGGLLSGVGTYLKNVSPDTKVIAVEPAGAASYFESNKAGHVVTLDKIDKFVDGAAVKKIGEETFRTLETVVDDILLVPEGKVCTSILELYNECAVVAEPAGALSVAALDLYKDQIKGKNVVCVVSGGNNDIGRMQEMKERSLIFEGLQHYFIVNFPQRAGALREFLDEVLGPNDDITRFEYTKKNNKSNGPALVGIELQNKADYGPLIERMNKKPFHYVEVNKDEDLFHLLI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	422 (342)
Sequences:	4633 (2447)
Seq/√Len:	132.3

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
142_S	145_E	4.358	1.00
185_L	202_L	4.348	1.00
45_N	309_N	3.815	1.00
96_C	103_G	3.812	1.00
72_S	75_Q	3.708	1.00
174_I	311_V	3.492	1.00
223_F	227_K	3.355	1.00
29_H	177_D	3.074	1.00
145_E	149_A	3.068	1.00
195_L	261_V	3.059	1.00
106_F	146_C	3.044	1.00
206_S	209_T	2.990	1.00
70_Q	162_D	2.968	1.00
217_A	268_P	2.935	1.00
199_G	260_V	2.810	1.00
210_K	263_D	2.780	1.00
29_H	176_N	2.674	1.00
67_K	160_D	2.662	1.00
34_R	45_N	2.617	1.00
102_H	128_D	2.611	1.00
233_T	248_K	2.488	1.00
271_K	300_L	2.469	1.00
104_K	128_D	2.322	1.00
22_N	66_H	2.321	1.00
220_A	224_E	2.227	1.00
182_P	311_V	2.178	1.00
32_L	178_I	2.151	1.00
216_P	244_A	1.937	1.00
159_D	251_E	1.912	1.00
244_A	293_L	1.886	1.00
224_E	227_K	1.879	1.00
195_L	257_L	1.874	1.00
113_R	117_S	1.866	1.00
228_A	232_V	1.853	1.00
26_V	65_Y	1.852	1.00
203_K	262_D	1.847	1.00
46_I	298_L	1.820	1.00
146_C	150_E	1.815	1.00
73_S	76_T	1.779	1.00
183_H	308_K	1.759	1.00
222_Y	249_I	1.754	1.00
47_Y	309_N	1.737	1.00
184_F	212_I	1.729	1.00
171_A	198_V	1.729	1.00
220_A	266_L	1.718	1.00
73_S	77_E	1.700	1.00
212_I	263_D	1.696	1.00
97_K	103_G	1.678	1.00
248_K	251_E	1.674	1.00
189_V	264_I	1.672	1.00
178_I	182_P	1.655	1.00
223_F	266_L	1.654	1.00
164_M	256_T	1.654	1.00
294_S	312_C	1.649	1.00
222_Y	257_L	1.648	1.00
47_Y	178_I	1.631	1.00
68_M	99_L	1.614	1.00
34_R	47_Y	1.614	1.00
104_K	152_R	1.613	1.00
171_A	202_L	1.605	1.00
226_N	264_I	1.587	1.00
174_I	182_P	1.581	1.00
102_H	152_R	1.576	1.00
244_A	290_A	1.576	1.00
276_I	319_N	1.575	1.00
181_E	309_N	1.555	1.00
241_V	272_V	1.549	1.00
14_K	17_L	1.545	1.00
172_V	201_Y	1.529	1.00
252_E	255_R	1.523	1.00
257_L	261_V	1.520	1.00
268_P	271_K	1.518	1.00
140_Y	144_A	1.510	1.00
186_F	301_Y	1.491	1.00
221_S	225_S	1.485	1.00
13_V	17_L	1.482	1.00
32_L	311_V	1.455	1.00
222_Y	264_I	1.446	1.00
161_P	252_E	1.421	1.00
187_A	198_V	1.418	1.00
186_F	214_V	1.415	1.00
135_T	138_D	1.407	1.00
183_H	309_N	1.397	1.00
185_L	198_V	1.396	1.00
76_T	101_I	1.392	1.00
287_A	314_V	1.392	1.00
142_S	146_C	1.383	1.00
144_A	147_C	1.380	1.00
218_G	269_E	1.377	1.00
229_G	258_E	1.376	1.00
32_L	174_I	1.375	1.00
75_Q	153_T	1.370	1.00
31_P	53_L	1.353	1.00
43_E	306_K	1.351	1.00
212_I	265_L	1.348	1.00
189_V	195_L	1.348	1.00
220_A	223_F	1.344	1.00
198_V	313_V	1.336	1.00
128_D	150_E	1.330	1.00
156_H	160_D	1.329	1.00
20_H	176_N	1.325	1.00
184_F	210_K	1.324	1.00
353_R	357_D	1.320	1.00
107_M	131_L	1.313	1.00
170_L	198_V	1.301	1.00
189_V	222_Y	1.300	1.00
224_E	228_A	1.283	1.00
117_S	120_E	1.278	1.00
82_C	105_I	1.271	1.00
83_A	136_F	1.258	1.00
184_F	308_K	1.254	1.00
104_K	130_I	1.252	1.00
134_D	138_D	1.250	1.00
116_V	120_E	1.240	1.00
170_L	194_L	1.240	1.00
143_A	154_F	1.231	1.00
202_L	209_T	1.225	1.00
186_F	298_L	1.224	1.00
348_R	354_E	1.224	1.00
280_Y	286_V	1.218	1.00
21_Q	24_K	1.218	1.00
132_T	142_S	1.209	1.00
146_C	152_R	1.202	0.99
120_E	128_D	1.194	0.99
255_R	258_E	1.193	0.99
276_I	292_A	1.187	0.99
72_S	76_T	1.187	0.99
107_M	119_V	1.186	0.99
214_V	297_A	1.178	0.99
164_M	252_E	1.177	0.99
34_R	39_S	1.174	0.99
188_S	315_S	1.173	0.99
178_I	311_V	1.172	0.99
189_V	213_A	1.167	0.99
164_M	200_T	1.167	0.99
92_V	105_I	1.166	0.99
38_L	295_V	1.158	0.99
210_K	308_K	1.154	0.99
255_R	259_T	1.148	0.99
89_A	119_V	1.145	0.99
272_V	293_L	1.145	0.99
195_L	211_V	1.139	0.99
44_C	310_V	1.135	0.99
22_N	69_K	1.127	0.99
68_M	92_V	1.120	0.99
81_V	152_R	1.117	0.99
136_F	140_Y	1.116	0.99
175_L	202_L	1.102	0.99
71_L	75_Q	1.097	0.99
256_T	260_V	1.091	0.99
351_A	354_E	1.078	0.99
172_V	176_N	1.074	0.99
225_S	231_V	1.069	0.99
15_H	18_K	1.062	0.99
224_E	232_V	1.059	0.99
76_T	153_T	1.058	0.99
217_A	266_L	1.049	0.99
351_A	355_F	1.041	0.99
111_T	242_D	1.036	0.98
213_A	222_Y	1.036	0.98
13_V	172_V	1.035	0.98
23_V	65_Y	1.030	0.98
116_V	131_L	1.029	0.98
102_H	150_E	1.028	0.98
223_F	264_I	1.028	0.98
279_L	287_A	1.026	0.98
199_G	211_V	1.016	0.98
16_I	201_Y	1.013	0.98
239_K	245_A	1.013	0.98
44_C	308_K	1.012	0.98
78_N	151_S	1.012	0.98
221_S	249_I	1.004	0.98
254_F	258_E	1.004	0.98
141_K	145_E	0.997	0.98
218_G	238_D	0.993	0.98
94_F	98_H	0.993	0.98
109_S	134_D	0.985	0.98
267_V	296_A	0.982	0.98
41_R	278_E	0.982	0.98
175_L	206_S	0.981	0.98
67_K	70_Q	0.979	0.98
353_R	356_L	0.973	0.98
74_E	78_N	0.973	0.98
291_G	314_V	0.969	0.98
75_Q	78_N	0.960	0.98
203_K	211_V	0.956	0.97
106_F	132_T	0.954	0.97
278_E	299_D	0.946	0.97
251_E	255_R	0.943	0.97
144_A	148_E	0.942	0.97
145_E	148_E	0.939	0.97
276_I	290_A	0.939	0.97
66_H	70_Q	0.933	0.97
213_A	264_I	0.931	0.97
187_A	195_L	0.931	0.97
103_G	124_K	0.922	0.97
186_F	297_A	0.919	0.97
67_K	75_Q	0.917	0.97
165_A	168_G	0.913	0.97
68_M	101_I	0.911	0.97
68_M	80_V	0.910	0.97
276_I	327_M	0.910	0.97
106_F	142_S	0.909	0.97
33_Q	50_R	0.909	0.97
231_V	251_E	0.905	0.96
81_V	147_C	0.900	0.96
130_I	142_S	0.900	0.96
17_L	205_V	0.899	0.96
263_D	304_Q	0.898	0.96
104_K	146_C	0.897	0.96
13_V	204_N	0.896	0.96
37_R	282_E	0.893	0.96
40_E	121_L	0.888	0.96
215_E	221_S	0.888	0.96
279_L	314_V	0.888	0.96
225_S	249_I	0.887	0.96
67_K	155_I	0.886	0.96
171_A	174_I	0.879	0.96
182_P	209_T	0.877	0.96
136_F	157_P	0.877	0.96
17_L	20_H	0.876	0.96
92_V	103_G	0.874	0.96
195_L	213_A	0.871	0.96
345_F	351_A	0.869	0.96
231_V	248_K	0.869	0.96
200_T	256_T	0.864	0.95
215_E	249_I	0.864	0.95
230_H	254_F	0.863	0.95
171_A	201_Y	0.862	0.95
97_K	124_K	0.859	0.95
216_P	219_A	0.859	0.95
170_L	313_V	0.858	0.95
97_K	122_F	0.849	0.95
36_D	40_E	0.847	0.95
81_V	146_C	0.845	0.95
291_G	315_S	0.841	0.95
240_F	269_E	0.837	0.95
183_H	307_G	0.835	0.94
275_S	295_V	0.835	0.94
274_T	331_S	0.831	0.94
275_S	296_A	0.829	0.94
215_E	223_F	0.825	0.94
118_Q	122_F	0.823	0.94
218_G	237_I	0.822	0.94
13_V	205_V	0.819	0.94
107_M	129_I	0.819	0.94
42_Y	46_I	0.817	0.94
65_Y	69_K	0.810	0.94
55_V	94_F	0.809	0.93
279_L	295_V	0.809	0.93
67_K	162_D	0.806	0.93
343_V	355_F	0.804	0.93
67_K	156_H	0.804	0.93
298_L	302_K	0.797	0.93
50_R	314_V	0.795	0.93
22_N	70_Q	0.793	0.93
188_S	294_S	0.785	0.92
74_E	77_E	0.782	0.92
72_S	153_T	0.777	0.92
240_F	273_C	0.776	0.92
118_Q	282_E	0.774	0.92
23_V	26_V	0.772	0.92
272_V	292_A	0.770	0.92
130_I	146_C	0.770	0.92
71_L	79_G	0.769	0.92
140_Y	156_H	0.767	0.92
163_V	167_Q	0.766	0.91
354_E	358_E	0.763	0.91
45_N	307_G	0.762	0.91
80_V	101_I	0.760	0.91
31_P	50_R	0.760	0.91
273_C	330_R	0.758	0.91
76_T	99_L	0.758	0.91
48_L	314_V	0.757	0.91
354_E	357_D	0.755	0.91
106_F	130_I	0.754	0.91
233_T	247_K	0.748	0.91
296_A	300_L	0.744	0.90
71_L	153_T	0.743	0.90
273_C	289_P	0.743	0.90
185_L	311_V	0.740	0.90
85_A	243_G	0.739	0.90
67_K	163_V	0.739	0.90
20_H	172_V	0.738	0.90
92_V	101_I	0.735	0.90
184_F	310_V	0.735	0.90
137_D	247_K	0.735	0.90
268_P	300_L	0.734	0.90
351_A	356_L	0.731	0.89
38_L	48_L	0.729	0.89
104_K	150_E	0.729	0.89
15_H	165_A	0.728	0.89
219_A	237_I	0.726	0.89
48_L	287_A	0.725	0.89
301_Y	304_Q	0.724	0.89
210_K	262_D	0.723	0.89
56_V	94_F	0.721	0.89
82_C	154_F	0.719	0.89
28_I	55_V	0.717	0.89
27_V	61_L	0.713	0.88
322_G	326_E	0.712	0.88
61_L	95_S	0.711	0.88
35_N	283_C	0.706	0.88
216_P	272_V	0.705	0.88
119_V	124_K	0.701	0.87
76_T	79_G	0.699	0.87
48_L	279_L	0.697	0.87
14_K	18_K	0.697	0.87
227_K	263_D	0.696	0.87
183_H	310_V	0.696	0.87
18_K	21_Q	0.694	0.87
281_N	337_L	0.693	0.87
267_V	297_A	0.692	0.87
298_L	312_C	0.689	0.87
305_I	308_K	0.686	0.86
273_C	327_M	0.686	0.86
200_T	204_N	0.685	0.86
28_I	54_Q	0.684	0.86
187_A	211_V	0.684	0.86
219_A	234_L	0.681	0.86
81_V	106_F	0.680	0.86
196_S	256_T	0.679	0.86
140_Y	154_F	0.678	0.86
109_S	133_G	0.676	0.86
175_L	201_Y	0.675	0.85
42_Y	299_D	0.675	0.85
83_A	143_A	0.674	0.85
265_L	297_A	0.673	0.85
81_V	143_A	0.672	0.85
234_L	237_I	0.667	0.85
202_L	206_S	0.667	0.85
147_C	154_F	0.666	0.85
50_R	285_V	0.665	0.85
225_S	254_F	0.665	0.85
178_I	181_E	0.663	0.84
109_S	132_T	0.663	0.84
19_A	66_H	0.662	0.84
201_Y	205_V	0.662	0.84
226_N	258_E	0.662	0.84
90_Q	119_V	0.661	0.84
326_E	331_S	0.659	0.84
118_Q	121_L	0.656	0.84
276_I	324_M	0.652	0.83
198_V	202_L	0.652	0.83
225_S	229_G	0.651	0.83
72_S	79_G	0.650	0.83
66_H	165_A	0.649	0.83
24_K	29_H	0.649	0.83
158_F	193_G	0.649	0.83
270_G	274_T	0.646	0.83
156_H	163_V	0.645	0.83
84_S	89_A	0.645	0.83
200_T	260_V	0.644	0.83
38_L	46_I	0.644	0.83
226_N	231_V	0.643	0.83
37_R	40_E	0.642	0.82
271_K	296_A	0.639	0.82
215_E	219_A	0.639	0.82
181_E	209_T	0.638	0.82
301_Y	305_I	0.636	0.82
143_A	147_C	0.636	0.82
75_Q	79_G	0.635	0.82
274_T	300_L	0.635	0.82
41_R	282_E	0.633	0.82
323_R	326_E	0.633	0.82
243_G	290_A	0.633	0.82
277_L	321_I	0.632	0.81
65_Y	98_H	0.632	0.81
115_K	242_D	0.631	0.81
185_L	209_T	0.630	0.81
59_F	188_S	0.629	0.81
66_H	69_K	0.627	0.81
265_L	304_Q	0.625	0.81
170_L	174_I	0.625	0.81
341_F	353_R	0.625	0.81
44_C	307_G	0.622	0.80
82_C	156_H	0.622	0.80
116_V	129_I	0.621	0.80
61_L	94_F	0.620	0.80
241_V	244_A	0.617	0.80
40_E	43_E	0.616	0.80
18_K	70_Q	0.616	0.80
189_V	215_E	0.614	0.80
274_T	278_E	0.613	0.79
164_M	253_T	0.613	0.79
215_E	250_G	0.612	0.79
117_S	121_L	0.611	0.79
175_L	179_D	0.610	0.79
83_A	157_P	0.608	0.79
278_E	282_E	0.608	0.79
175_L	205_V	0.608	0.79
93_A	124_K	0.608	0.79
242_D	289_P	0.606	0.79
324_M	341_F	0.606	0.79
78_N	153_T	0.606	0.79
348_R	351_A	0.606	0.79
322_G	325_Q	0.606	0.79
227_K	230_H	0.605	0.79
189_V	291_G	0.605	0.79
174_I	185_L	0.605	0.79
72_S	101_I	0.604	0.78
213_A	261_V	0.604	0.78
181_E	206_S	0.604	0.78
110_T	134_D	0.603	0.78
179_D	182_P	0.602	0.78
16_I	200_T	0.602	0.78
178_I	309_N	0.602	0.78
241_V	290_A	0.600	0.78
214_V	293_L	0.599	0.78
138_D	141_K	0.596	0.78
182_P	206_S	0.593	0.77
167_Q	191_G	0.591	0.77
295_V	298_L	0.591	0.77
72_S	77_E	0.590	0.77
42_Y	298_L	0.588	0.77
158_F	248_K	0.587	0.77
72_S	102_H	0.586	0.76
271_K	302_K	0.586	0.76
221_S	224_E	0.585	0.76
29_H	54_Q	0.583	0.76
252_E	256_T	0.583	0.76
159_D	250_G	0.582	0.76
312_C	315_S	0.581	0.76
100_G	151_S	0.581	0.76
269_E	272_V	0.580	0.76
345_F	355_F	0.580	0.76
13_V	200_T	0.579	0.76
303_D	306_K	0.579	0.76
215_E	244_A	0.575	0.75
17_L	172_V	0.574	0.75
16_I	171_A	0.574	0.75
302_K	305_I	0.573	0.75
263_D	301_Y	0.572	0.75
88_H	167_Q	0.571	0.75
48_L	312_C	0.571	0.75
186_F	212_I	0.570	0.74
271_K	299_D	0.569	0.74
225_S	232_V	0.564	0.74
257_L	264_I	0.560	0.73
111_T	116_V	0.560	0.73
119_V	129_I	0.560	0.73
20_H	29_H	0.560	0.73
18_K	22_N	0.559	0.73
79_G	152_R	0.559	0.73
349_A	352_L	0.558	0.73
137_D	141_K	0.556	0.73
110_T	216_P	0.556	0.73
91_G	136_F	0.555	0.72
199_G	262_D	0.554	0.72
325_Q	328_K	0.554	0.72
280_Y	324_M	0.553	0.72
48_L	295_V	0.552	0.72
83_A	154_F	0.548	0.72
90_Q	115_K	0.548	0.72
146_C	149_A	0.547	0.71
23_V	66_H	0.546	0.71
84_S	288_E	0.545	0.71
249_I	253_T	0.544	0.71
90_Q	118_Q	0.544	0.71
288_E	316_G	0.541	0.71
85_A	191_G	0.541	0.71
234_L	238_D	0.540	0.70
20_H	24_K	0.539	0.70
321_I	331_S	0.538	0.70
17_L	176_N	0.537	0.70
290_A	293_L	0.536	0.70
90_Q	167_Q	0.535	0.70
36_D	45_N	0.535	0.70
74_E	153_T	0.532	0.69
274_T	335_E	0.531	0.69
257_L	260_V	0.530	0.69
147_C	156_H	0.529	0.69
286_V	319_N	0.529	0.69
228_A	231_V	0.529	0.69
295_V	312_C	0.529	0.69
140_Y	147_C	0.528	0.69
184_F	309_N	0.527	0.69
45_N	183_H	0.526	0.68
345_F	352_L	0.525	0.68
32_L	47_Y	0.525	0.68
205_V	209_T	0.525	0.68
52_D	285_V	0.525	0.68
32_L	177_D	0.525	0.68
176_N	205_V	0.523	0.68
295_V	314_V	0.522	0.68
17_L	21_Q	0.521	0.68
133_G	138_D	0.521	0.68
241_V	273_C	0.519	0.67
230_H	233_T	0.517	0.67
37_R	278_E	0.517	0.67
341_F	357_D	0.516	0.67
95_S	99_L	0.516	0.67
220_A	234_L	0.516	0.67
115_K	243_G	0.515	0.67
15_H	161_P	0.514	0.67
203_K	261_V	0.514	0.67
336_G	356_L	0.511	0.66
190_G	246_V	0.511	0.66
33_Q	52_D	0.508	0.66
344_N	354_E	0.508	0.66
57_R	269_E	0.507	0.66
203_K	260_V	0.506	0.65
157_P	191_G	0.505	0.65
37_R	283_C	0.505	0.65
233_T	236_K	0.505	0.65
160_D	163_V	0.505	0.65
186_F	265_L	0.505	0.65
222_Y	226_N	0.504	0.65
286_V	324_M	0.503	0.65
145_E	354_E	0.501	0.65
199_G	261_V	0.501	0.65
27_V	65_Y	0.501	0.65
325_Q	329_E	0.500	0.65

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
1tdjA	2	0.9692	100	0.21	Contact Map
2gn0A	2	0.7701	100	0.388	Contact Map
1v71A	2	0.7536	100	0.399	Contact Map
3ss7X	1	0.7796	100	0.417	Contact Map
1ve5A	3	0.718	100	0.421	Contact Map
3l6bA	2	0.7536	100	0.425	Contact Map
3iauA	1	0.7749	100	0.426	Contact Map
4h27A	1	0.7251	100	0.437	Contact Map
2rkbA	2	0.7275	100	0.438	Contact Map
4d9iA	2	0.7749	100	0.444	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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