AAT3 - BACSU - GREMLIN Contacts

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AAT3 - Putative aspartate aminotransferase YhdR

UniProt:	O07587	Sequences: MKLAGLSREVEENLNKGSWIRKLFDEGARLKKEFGEDQVFDFSLGNPIVEPPEAFKRALIEEAEKGSHGYIQNQGLLAAREKVAQFLGSRFEADFSAERIVMTVGAGGALNVALKSIVNPGEEVIILAPYFAEYKLYIENYGGKAVSCPLTSRFEIDIEAVRQSITPQTKGLILNTPHNPTGTVLSQKNIDDLGALLKEIEEKSGQTIYVLFDEPYSQLIYDEELANPFQSYHRVILASSFSKDLGIAGERLGYIGLDSRMPDADLLINAFVYCNRTLGFVNAPVMMQRAVARMDDLRVDASAYKERRDLMVDILKEAGFEFEMPKGGFFVFPKSPIEDEVAFCVHAAQKYKLLIVPSSGFGMSGHFRLSFSVPIEQIKNSRDIFISLYKDFA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	393 (344)
Sequences:	43102 (29851)
Seq/√Len:	1609.5

ECOLI - YBDL ALAC ALAA MALY YJIR AVTA YDCR HIS8
BACSU - AAT3 AAT1 PATA YUGH MTNE AAT2 YDEF YDFD YISV CBL YCXD GABR YHDI HIS8 YDEL
HALSA - Q9HQK2 Q9HRM6 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
162_R	199_E	3.040	1.00
60_I	64_E	2.995	1.00
103_T	109_A	2.969	1.00
351_Y	387_S	2.921	1.00
123_E	144_K	2.850	1.00
122_E	170_K	2.788	1.00
305_K	309_D	2.731	1.00
187_Q	191_D	2.718	1.00
321_E	334_K	2.669	1.00
310_L	379_K	2.667	1.00
380_N	384_I	2.572	1.00
346_H	350_K	2.568	1.00
306_E	375_I	2.556	1.00
82_K	288_Q	2.494	1.00
118_V	143_G	2.423	1.00
53_E	57_R	2.348	1.00
257_L	262_P	2.317	1.00
88_G	94_D	2.269	1.00
78_A	284_P	2.201	1.00
111_N	115_K	2.167	1.00
339_D	342_A	2.157	1.00
314_I	382_R	2.129	1.00
252_L	283_A	2.070	1.00
380_N	383_D	2.052	1.00
186_S	189_N	2.021	1.00
191_D	195_A	1.982	1.00
57_R	61_E	1.976	1.00
81_E	85_Q	1.903	1.00
159_E	192_D	1.900	1.00
138_I	143_G	1.887	1.00
207_T	234_R	1.864	1.00
151_T	189_N	1.855	1.00
225_L	229_F	1.848	1.00
313_D	317_E	1.822	1.00
314_I	317_E	1.809	1.00
42_F	381_S	1.808	1.00
123_E	146_V	1.798	1.00
162_R	192_D	1.777	1.00
85_Q	288_Q	1.759	1.00
199_E	206_Q	1.757	1.00
226_A	229_F	1.753	1.00
113_A	236_I	1.738	1.00
155_E	189_N	1.733	1.00
160_A	164_S	1.728	1.00
171_G	211_L	1.721	1.00
81_E	97_A	1.710	1.00
312_V	316_K	1.698	1.00
197_L	210_V	1.697	1.00
314_I	383_D	1.695	1.00
309_D	313_D	1.691	1.00
316_K	322_F	1.687	1.00
123_E	169_T	1.668	1.00
211_L	238_A	1.664	1.00
123_E	166_T	1.661	1.00
157_D	160_A	1.659	1.00
310_L	314_I	1.658	1.00
215_P	240_S	1.655	1.00
84_A	97_A	1.654	1.00
312_V	324_M	1.610	1.00
192_D	195_A	1.591	1.00
113_A	211_L	1.590	1.00
314_I	386_I	1.580	1.00
106_A	238_A	1.576	1.00
99_R	259_S	1.574	1.00
77_L	81_E	1.567	1.00
123_E	168_Q	1.553	1.00
311_M	331_V	1.552	1.00
128_A	147_S	1.552	1.00
346_H	388_L	1.534	1.00
124_V	138_I	1.517	1.00
61_E	285_V	1.516	1.00
355_I	367_F	1.514	1.00
95_F	256_G	1.513	1.00
160_A	163_Q	1.507	1.00
374_P	377_Q	1.500	1.00
114_L	138_I	1.474	1.00
56_K	60_I	1.473	1.00
83_V	254_Y	1.471	1.00
135_K	139_E	1.450	1.00
82_K	85_Q	1.449	1.00
87_L	256_G	1.443	1.00
340_E	359_S	1.440	1.00
310_L	375_I	1.437	1.00
78_A	288_Q	1.436	1.00
158_I	196_L	1.435	1.00
195_A	199_E	1.431	1.00
197_L	208_I	1.422	1.00
332_F	358_S	1.415	1.00
255_I	265_D	1.408	1.00
188_K	191_D	1.405	1.00
98_E	259_S	1.394	1.00
236_I	257_L	1.381	1.00
383_D	387_S	1.377	1.00
311_M	382_R	1.371	1.00
312_V	331_V	1.361	1.00
166_T	169_T	1.357	1.00
165_I	196_L	1.348	1.00
101_V	262_P	1.343	1.00
342_A	346_H	1.336	1.00
298_R	302_S	1.336	1.00
128_A	149_P	1.335	1.00
196_L	206_Q	1.330	1.00
158_I	192_D	1.312	1.00
83_V	102_M	1.309	1.00
162_R	206_Q	1.303	1.00
114_L	173_I	1.298	1.00
317_E	386_I	1.298	1.00
351_Y	384_I	1.298	1.00
241_F	283_A	1.297	1.00
59_L	63_A	1.295	1.00
316_K	324_M	1.281	1.00
149_P	160_A	1.280	1.00
312_V	322_F	1.278	1.00
342_A	345_V	1.271	1.00
225_L	228_P	1.262	1.00
82_K	284_P	1.255	1.00
303_A	306_E	1.238	1.00
379_K	383_D	1.238	1.00
298_R	301_A	1.231	1.00
76_L	281_V	1.231	1.00
56_K	64_E	1.229	1.00
303_A	375_I	1.228	1.00
333_P	369_L	1.224	1.00
108_G	269_N	1.219	1.00
125_I	169_T	1.219	1.00
314_I	379_K	1.217	1.00
57_R	60_I	1.214	1.00
74_Q	266_L	1.210	1.00
58_A	285_V	1.210	1.00
195_A	198_K	1.207	1.00
264_A	267_L	1.204	1.00
269_N	273_Y	1.200	1.00
83_V	100_I	1.197	1.00
87_L	254_Y	1.196	1.00
59_L	282_N	1.191	1.00
302_S	305_K	1.188	1.00
196_L	208_I	1.184	1.00
189_N	192_D	1.177	1.00
284_P	288_Q	1.174	1.00
334_K	366_H	1.169	1.00
126_I	145_A	1.167	1.00
74_Q	80_R	1.160	1.00
114_L	118_V	1.152	1.00
37_D	352_K	1.141	1.00
222_D	326_K	1.137	1.00
125_I	148_C	1.136	1.00
61_E	65_K	1.134	1.00
308_R	312_V	1.134	1.00
80_R	84_A	1.133	1.00
116_S	268_I	1.130	1.00
162_R	196_L	1.129	1.00
239_S	254_Y	1.126	1.00
344_C	355_I	1.125	1.00
104_V	108_G	1.124	1.00
135_K	147_S	1.116	1.00
118_V	124_V	1.111	1.00
302_S	306_E	1.104	1.00
163_Q	167_P	1.099	1.00
339_D	364_S	1.096	1.00
191_D	231_S	1.085	1.00
236_I	255_I	1.083	1.00
78_A	281_V	1.079	1.00
285_V	288_Q	1.079	1.00
233_H	258_D	1.078	1.00
334_K	365_G	1.077	1.00
117_I	171_G	1.076	1.00
96_S	259_S	1.076	1.00
294_M	298_R	1.073	1.00
84_A	100_I	1.071	1.00
375_I	379_K	1.069	1.00
138_I	145_A	1.068	1.00
115_K	141_Y	1.067	1.00
172_L	208_I	1.064	1.00
303_A	307_R	1.062	1.00
197_L	206_Q	1.052	1.00
77_L	97_A	1.050	1.00
162_R	166_T	1.042	1.00
84_A	96_S	1.042	1.00
78_A	81_E	1.042	1.00
96_S	99_R	1.041	1.00
188_K	192_D	1.039	1.00
79_A	102_M	1.034	1.00
53_E	56_K	1.031	1.00
86_F	294_M	1.029	1.00
263_D	267_L	1.028	1.00
369_L	381_S	1.014	1.00
77_L	80_R	1.010	1.00
117_I	209_Y	1.007	1.00
56_K	63_A	1.004	1.00
116_S	265_D	1.003	1.00
120_P	142_G	1.001	1.00
373_V	377_Q	1.001	1.00
109_A	255_I	0.998	1.00
230_Q	233_H	0.993	1.00
194_G	210_V	0.992	1.00
112_V	269_N	0.992	1.00
58_A	61_E	0.992	1.00
148_C	164_S	0.991	1.00
99_R	262_P	0.988	1.00
343_F	367_F	0.986	1.00
109_A	238_A	0.985	1.00
130_Y	175_N	0.983	1.00
119_N	122_E	0.982	1.00
377_Q	380_N	0.980	1.00
308_R	371_F	0.978	1.00
209_Y	236_I	0.976	1.00
198_K	233_H	0.973	1.00
209_Y	234_R	0.971	1.00
341_V	359_S	0.969	1.00
194_G	235_V	0.963	1.00
347_A	385_F	0.962	1.00
309_D	324_M	0.960	1.00
113_A	265_D	0.948	1.00
216_Y	330_F	0.946	1.00
100_I	256_G	0.943	1.00
124_V	171_G	0.941	1.00
220_I	223_E	0.940	1.00
151_T	157_D	0.937	1.00
313_D	379_K	0.932	1.00
101_V	265_D	0.927	1.00
307_R	310_L	0.926	1.00
165_I	208_I	0.922	1.00
156_I	189_N	0.922	1.00
198_K	232_Y	0.922	1.00
159_E	163_Q	0.918	1.00
134_Y	173_I	0.913	1.00
106_A	215_P	0.912	1.00
108_G	273_Y	0.910	1.00
313_D	316_K	0.898	1.00
238_A	255_I	0.896	1.00
320_F	333_P	0.894	1.00
165_I	169_T	0.893	1.00
353_L	385_F	0.893	1.00
99_R	232_Y	0.892	1.00
54_A	292_A	0.890	1.00
209_Y	261_M	0.888	1.00
310_L	313_D	0.887	1.00
341_V	345_V	0.885	1.00
86_F	218_Q	0.885	1.00
340_E	365_G	0.885	1.00
159_E	162_R	0.884	1.00
158_I	193_L	0.883	1.00
311_M	378_I	0.877	1.00
38_Q	352_K	0.871	1.00
58_A	62_E	0.870	1.00
139_E	145_A	0.870	1.00
47_P	304_Y	0.865	1.00
295_D	299_V	0.864	1.00
125_I	164_S	0.861	1.00
107_G	133_E	0.861	1.00
214_E	237_L	0.860	1.00
106_A	240_S	0.859	1.00
90_R	294_M	0.858	1.00
299_V	302_S	0.854	1.00
169_T	208_I	0.852	1.00
311_M	314_I	0.851	1.00
259_S	263_D	0.850	1.00
42_F	378_I	0.848	1.00
308_R	325_P	0.847	1.00
346_H	351_Y	0.843	1.00
310_L	382_R	0.838	1.00
194_G	231_S	0.838	1.00
158_I	189_N	0.836	1.00
76_L	284_P	0.831	1.00
262_P	266_L	0.826	1.00
299_V	303_A	0.825	1.00
281_V	284_P	0.824	1.00
38_Q	380_N	0.823	1.00
166_T	206_Q	0.822	1.00
355_I	369_L	0.821	1.00
347_A	355_I	0.816	1.00
125_I	172_L	0.816	1.00
61_E	64_E	0.814	1.00
114_L	171_G	0.811	1.00
49_V	303_A	0.811	1.00
340_E	364_S	0.808	1.00
125_I	161_V	0.802	1.00
103_T	255_I	0.800	1.00
146_V	166_T	0.800	1.00
107_G	131_F	0.799	1.00
86_F	245_L	0.798	1.00
79_A	83_V	0.797	1.00
198_K	234_R	0.793	1.00
296_D	300_D	0.792	1.00
118_V	171_G	0.789	1.00
57_R	64_E	0.789	1.00
105_G	251_R	0.784	1.00
86_F	91_F	0.780	1.00
124_V	143_G	0.779	1.00
127_L	148_C	0.777	1.00
221_Y	305_K	0.776	1.00
218_Q	244_D	0.774	1.00
54_A	285_V	0.773	1.00
222_D	308_R	0.773	1.00
158_I	162_R	0.772	1.00
345_V	350_K	0.770	1.00
353_L	384_I	0.768	1.00
41_D	46_N	0.763	1.00
336_P	365_G	0.763	1.00
241_F	254_Y	0.759	1.00
341_V	357_P	0.757	1.00
306_E	309_D	0.755	1.00
343_F	388_L	0.754	1.00
161_V	172_L	0.753	1.00
311_M	371_F	0.751	1.00
118_V	122_E	0.749	1.00
376_E	379_K	0.746	1.00
236_I	261_M	0.741	1.00
126_I	138_I	0.739	1.00
150_L	178_H	0.738	1.00
60_I	63_A	0.736	1.00
295_D	298_R	0.734	1.00
86_F	90_R	0.733	1.00
296_D	299_V	0.732	1.00
54_A	57_R	0.731	1.00
353_L	381_S	0.731	1.00
198_K	230_Q	0.731	1.00
179_N	216_Y	0.727	1.00
128_A	362_G	0.726	1.00
340_E	357_P	0.726	1.00
127_L	156_I	0.725	1.00
339_D	343_F	0.724	1.00
50_E	56_K	0.723	1.00
244_D	293_R	0.722	1.00
351_Y	388_L	0.721	1.00
108_G	112_V	0.721	1.00
101_V	255_I	0.717	1.00
75_G	80_R	0.714	1.00
300_D	304_Y	0.714	1.00
321_E	336_P	0.712	1.00
127_L	178_H	0.711	1.00
54_A	293_R	0.710	1.00
157_D	189_N	0.708	1.00
257_L	265_D	0.708	1.00
85_Q	88_G	0.707	1.00
36_E	352_K	0.706	1.00
146_V	169_T	0.701	1.00
173_I	211_L	0.698	1.00
67_S	281_V	0.696	1.00
90_R	218_Q	0.695	1.00
36_E	39_V	0.695	1.00
151_T	155_E	0.695	1.00
245_L	294_M	0.690	1.00
340_E	344_C	0.690	1.00
52_P	55_F	0.689	1.00
38_Q	377_Q	0.688	1.00
62_E	282_N	0.688	1.00
335_S	367_F	0.687	1.00
232_Y	235_V	0.686	1.00
228_P	235_V	0.684	1.00
344_C	357_P	0.683	1.00
114_L	143_G	0.683	1.00
80_R	97_A	0.683	1.00
82_K	287_M	0.682	1.00
153_R	186_S	0.682	1.00
123_E	170_K	0.680	1.00
252_L	279_G	0.678	1.00
344_C	367_F	0.677	1.00
178_H	181_T	0.676	1.00
76_L	280_F	0.676	1.00
307_R	374_P	0.674	1.00
148_C	160_A	0.674	1.00
309_D	312_V	0.674	1.00
113_A	238_A	0.673	1.00
51_P	55_F	0.672	1.00
59_L	278_L	0.671	1.00
358_S	366_H	0.670	1.00
121_G	144_K	0.670	1.00
310_L	378_I	0.669	1.00
333_P	366_H	0.663	1.00
134_Y	138_I	0.663	1.00
40_F	380_N	0.662	1.00
110_L	137_Y	0.662	1.00
84_A	95_F	0.661	1.00
233_H	260_R	0.660	1.00
172_L	197_L	0.658	1.00
311_M	369_L	0.658	1.00
314_I	318_A	0.658	1.00
112_V	268_I	0.657	1.00
293_R	296_D	0.656	1.00
153_R	189_N	0.654	1.00
91_F	217_S	0.654	1.00
136_L	139_E	0.653	1.00
51_P	54_A	0.651	1.00
198_K	231_S	0.651	1.00
155_E	186_S	0.646	1.00
161_V	196_L	0.646	1.00
102_M	252_L	0.644	1.00
212_F	237_L	0.643	1.00
306_E	310_L	0.641	1.00
320_F	335_S	0.637	1.00
112_V	265_D	0.636	1.00
257_L	261_M	0.634	1.00
197_L	207_T	0.633	1.00
221_Y	371_F	0.633	1.00
176_T	214_E	0.630	1.00
231_S	235_V	0.628	1.00
114_L	141_Y	0.625	1.00
297_L	301_A	0.624	1.00
45_G	216_Y	0.624	1.00
219_L	301_A	0.623	1.00
317_E	379_K	0.623	1.00
111_N	141_Y	0.623	1.00
177_P	327_G	0.622	1.00
269_N	276_R	0.621	1.00
221_Y	308_R	0.619	1.00
358_S	361_F	0.619	1.00
174_L	190_I	0.619	1.00
282_N	285_V	0.618	1.00
126_I	135_K	0.618	1.00
55_F	247_I	0.615	1.00
332_F	366_H	0.614	1.00
146_V	164_S	0.613	1.00
169_T	172_L	0.612	1.00
222_D	305_K	0.609	1.00
54_A	296_D	0.608	1.00
244_D	297_L	0.608	1.00
51_P	296_D	0.604	1.00
102_M	280_F	0.603	1.00
152_S	160_A	0.602	1.00
260_R	263_D	0.600	1.00
383_D	386_I	0.600	1.00
280_F	284_P	0.599	1.00
65_K	285_V	0.598	1.00
359_S	364_S	0.597	1.00
86_F	217_S	0.597	1.00
58_A	282_N	0.595	1.00
87_L	237_L	0.595	1.00
183_T	326_K	0.590	1.00
111_N	137_Y	0.589	1.00
101_V	257_L	0.588	1.00
48_I	307_R	0.586	1.00
122_E	168_Q	0.583	1.00
308_R	324_M	0.583	1.00
101_V	266_L	0.581	1.00
340_E	343_F	0.577	1.00
156_I	161_V	0.573	1.00
165_I	206_Q	0.572	1.00
258_D	261_M	0.571	1.00
185_L	189_N	0.570	1.00
266_L	269_N	0.569	1.00
322_F	331_V	0.568	1.00
126_I	147_S	0.568	1.00
315_L	333_P	0.568	1.00
242_S	251_R	0.566	1.00
339_D	359_S	0.566	1.00
231_S	234_R	0.566	1.00
149_P	164_S	0.564	1.00
294_M	297_L	0.563	1.00
384_I	387_S	0.562	1.00
185_L	190_I	0.562	1.00
332_F	368_R	0.562	1.00
176_T	184_V	0.562	1.00
190_I	212_F	0.560	1.00
51_P	56_K	0.556	1.00
316_K	321_E	0.556	1.00
318_A	386_I	0.555	1.00
307_R	375_I	0.555	1.00
163_Q	166_T	0.553	1.00
194_G	197_L	0.553	1.00
263_D	266_L	0.550	1.00
113_A	171_G	0.549	1.00
55_F	286_M	0.549	1.00
81_E	288_Q	0.547	1.00
40_F	384_I	0.547	1.00
99_R	257_L	0.547	1.00
88_G	92_E	0.546	1.00
71_I	76_L	0.546	1.00
217_S	239_S	0.545	1.00
115_K	268_I	0.545	1.00
161_V	193_L	0.545	1.00
179_N	368_R	0.544	1.00
156_I	172_L	0.539	1.00
221_Y	325_P	0.539	1.00
281_V	285_V	0.539	1.00
380_N	387_S	0.537	1.00
194_G	230_Q	0.537	1.00
149_P	157_D	0.534	1.00
301_A	305_K	0.533	1.00
343_F	347_A	0.533	1.00
305_K	308_R	0.531	1.00
137_Y	141_Y	0.531	1.00
119_N	170_K	0.531	1.00
95_F	99_R	0.530	1.00
43_S	354_L	0.529	1.00
81_E	84_A	0.529	1.00
340_E	367_F	0.527	1.00
72_Q	77_L	0.524	1.00
304_Y	329_F	0.520	1.00
104_V	275_N	0.519	1.00
114_L	137_Y	0.519	1.00
80_R	266_L	0.519	1.00
80_R	98_E	0.518	1.00
344_C	348_A	0.517	1.00
62_E	65_K	0.517	1.00
314_I	378_I	0.517	1.00
41_D	44_L	0.515	1.00
45_G	330_F	0.515	1.00
348_A	354_L	0.514	1.00
307_R	377_Q	0.513	1.00
382_R	386_I	0.513	1.00
139_E	144_K	0.512	1.00
79_A	283_A	0.512	1.00
39_V	354_L	0.512	1.00
54_A	295_D	0.511	1.00
124_V	173_I	0.511	1.00
255_I	262_P	0.511	1.00
219_L	304_Y	0.511	1.00
125_I	165_I	0.511	1.00
52_P	293_R	0.511	1.00
172_L	210_V	0.508	1.00
42_F	369_L	0.505	1.00
104_V	277_T	0.504	1.00
111_N	272_V	0.503	1.00
50_E	55_F	0.500	1.00
105_G	253_G	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
3dydA	2	0.9109	100	0.314	Contact Map
3h14A	2	0.9186	100	0.315	Contact Map
1b5pA	2	0.9567	100	0.321	Contact Map
3piuA	2	0.9364	100	0.322	Contact Map
1yizA	2	0.9517	100	0.322	Contact Map
3eleA	2	0.9695	100	0.323	Contact Map
3jtxA	2	0.944	100	0.324	Contact Map
1o4sA	2	0.9542	100	0.324	Contact Map
1j32A	2	0.9593	100	0.326	Contact Map
2x5dA	3	0.9262	100	0.327	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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