AAT1 - BACSU - GREMLIN Contacts

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AAT1 - Aspartate aminotransferase

UniProt:	P53001	Sequences: MKLAKRVSALTPSTTLAITAKAKELKAAGHDVIGLGAGEPDFNTPQHIIDAAVRSMNEGHTKYTPSGGLAELKNSIAEKFKRDQNIEYKPSQIIVCTGAKHALYTLFQVILDEEDEVIIPTPYWVSYPEQVKLAGGKPVYVEGLEENHFKISPEQLKNAITEKTKAIVINSPSNPTGVMYTEEELSALGEVCLEHDILIVSDEIYEKLTYGGKKHVSIAQLSDRLKEQTVIINGVSKSHSMTGWRIGYAAGSEDIIKAMTNLASHSTSNPTSIAQYGAIAAYNGPSEPLEEMREAFEHRLNTIYAKLIEIPGFSCVKPEGAFYLFPNAKEAAQSCGFKDVDEFVKALLEEEKVAIVPGSGFGSPENVRLSYATSLDLLEEAIERIKRFVEKHS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	393 (347)
Sequences:	43540 (29835)
Seq/√Len:	1601.6

ECOLI - ALAC ALAA YBDL MALY AVTA YDCR YJIR HIS8
BACSU - AAT1 MTNE AAT2 YUGH PATA AAT3 CBL YDFD YISV YHDI GABR YDEL YDEF YCXD HIS8
HALSA - Q9HRM6 Q9HQK2 Q9HRX4 HIS8 Q9HQW2 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
53_V	57_N	3.287	1.00
116_E	137_K	2.943	1.00
75_S	283_N	2.876	1.00
96_C	102_A	2.869	1.00
302_T	379_E	2.755	1.00
351_E	387_R	2.699	1.00
297_E	301_N	2.661	1.00
111_L	136_G	2.661	1.00
81_K	87_E	2.558	1.00
314_S	327_N	2.553	1.00
182_E	186_S	2.531	1.00
298_H	375_L	2.425	1.00
115_D	165_K	2.407	1.00
71_E	279_I	2.376	1.00
157_K	194_E	2.372	1.00
380_E	384_R	2.307	1.00
251_G	256_I	2.293	1.00
46_Q	50_D	2.145	1.00
116_E	139_V	2.142	1.00
181_T	184_E	2.103	1.00
304_Y	308_I	2.091	1.00
304_Y	317_K	2.078	1.00
104_Y	108_Q	2.061	1.00
121_T	140_Y	1.999	1.00
306_K	309_E	1.968	1.00
306_K	382_I	1.939	1.00
75_S	78_E	1.914	1.00
74_N	90_P	1.891	1.00
246_I	278_A	1.869	1.00
155_Q	159_A	1.799	1.00
78_E	283_N	1.791	1.00
186_S	190_E	1.780	1.00
150_K	184_E	1.771	1.00
302_T	306_K	1.768	1.00
306_K	386_K	1.758	1.00
200_V	232_I	1.753	1.00
70_A	74_N	1.750	1.00
50_D	54_R	1.745	1.00
82_R	286_S	1.735	1.00
77_A	90_P	1.709	1.00
92_Q	253_E	1.706	1.00
131_V	136_G	1.704	1.00
339_D	342_E	1.704	1.00
346_A	388_F	1.691	1.00
157_K	187_A	1.684	1.00
152_S	155_Q	1.679	1.00
128_P	132_K	1.670	1.00
49_I	53_V	1.668	1.00
91_S	253_E	1.667	1.00
380_E	383_E	1.667	1.00
155_Q	158_N	1.651	1.00
374_S	377_L	1.646	1.00
192_C	199_I	1.644	1.00
351_E	384_R	1.635	1.00
54_R	280_A	1.630	1.00
75_S	279_I	1.629	1.00
302_T	375_L	1.626	1.00
74_N	78_E	1.624	1.00
345_K	349_E	1.610	1.00
308_I	315_C	1.589	1.00
196_D	228_Q	1.581	1.00
182_E	216_V	1.579	1.00
106_L	230_V	1.578	1.00
301_N	305_A	1.566	1.00
128_P	140_Y	1.565	1.00
271_T	274_A	1.554	1.00
305_A	309_E	1.552	1.00
153_P	187_A	1.550	1.00
204_I	234_G	1.549	1.00
117_V	131_V	1.536	1.00
116_E	163_K	1.531	1.00
121_T	142_E	1.531	1.00
306_K	383_E	1.518	1.00
342_E	346_A	1.516	1.00
187_A	190_E	1.496	1.00
76_I	248_Y	1.492	1.00
249_A	259_M	1.490	1.00
118_I	164_T	1.480	1.00
69_L	276_Y	1.467	1.00
35_L	381_A	1.460	1.00
154_E	187_A	1.455	1.00
50_D	53_V	1.448	1.00
106_L	200_V	1.447	1.00
107_F	131_V	1.441	1.00
306_K	379_E	1.437	1.00
304_Y	315_C	1.435	1.00
67_G	260_T	1.431	1.00
116_E	161_T	1.429	1.00
88_Y	250_A	1.408	1.00
184_E	187_A	1.398	1.00
303_I	324_L	1.396	1.00
99_A	232_I	1.395	1.00
290_E	294_E	1.394	1.00
49_I	57_N	1.392	1.00
119_I	138_P	1.388	1.00
51_A	54_R	1.386	1.00
295_A	298_H	1.383	1.00
308_I	317_K	1.378	1.00
341_D	359_S	1.372	1.00
355_I	367_V	1.368	1.00
113_E	135_G	1.363	1.00
166_A	200_V	1.362	1.00
116_E	164_T	1.361	1.00
80_F	250_A	1.354	1.00
51_A	280_A	1.346	1.00
78_E	82_R	1.343	1.00
70_A	90_P	1.342	1.00
235_V	278_A	1.339	1.00
279_I	283_N	1.335	1.00
144_L	184_E	1.335	1.00
304_Y	324_L	1.325	1.00
309_E	386_K	1.316	1.00
52_A	56_M	1.316	1.00
342_E	345_K	1.314	1.00
52_A	277_G	1.308	1.00
303_I	382_I	1.307	1.00
295_A	375_L	1.301	1.00
258_A	261_N	1.293	1.00
340_V	359_S	1.291	1.00
108_Q	134_A	1.289	1.00
325_F	358_G	1.288	1.00
142_E	155_Q	1.283	1.00
192_C	197_I	1.282	1.00
160_I	191_V	1.282	1.00
327_N	366_N	1.271	1.00
157_K	195_H	1.260	1.00
30_H	352_K	1.259	1.00
89_K	92_Q	1.256	1.00
71_E	283_N	1.253	1.00
153_P	191_V	1.249	1.00
233_N	248_Y	1.247	1.00
157_K	191_V	1.237	1.00
327_N	365_E	1.231	1.00
157_K	161_T	1.227	1.00
190_E	194_E	1.226	1.00
227_E	252_S	1.218	1.00
182_E	220_Q	1.215	1.00
183_E	186_S	1.214	1.00
191_V	195_H	1.211	1.00
186_S	221_L	1.196	1.00
191_V	197_I	1.190	1.00
257_K	261_N	1.188	1.00
144_L	155_Q	1.184	1.00
118_I	141_V	1.180	1.00
183_E	187_A	1.176	1.00
94_I	256_I	1.172	1.00
310_I	386_K	1.171	1.00
97_T	101_H	1.171	1.00
295_A	299_R	1.171	1.00
67_G	73_K	1.171	1.00
379_E	383_E	1.170	1.00
326_P	369_L	1.169	1.00
71_E	276_Y	1.165	1.00
190_E	193_L	1.163	1.00
102_A	249_A	1.159	1.00
112_D	115_D	1.153	1.00
107_F	168_V	1.148	1.00
383_E	387_R	1.147	1.00
375_L	379_E	1.146	1.00
54_R	58_E	1.138	1.00
377_L	380_E	1.138	1.00
300_L	371_Y	1.138	1.00
294_E	297_E	1.129	1.00
280_A	283_N	1.128	1.00
211_G	319_E	1.128	1.00
290_E	293_R	1.126	1.00
193_L	226_K	1.123	1.00
182_E	221_L	1.112	1.00
107_F	111_L	1.111	1.00
280_A	284_G	1.105	1.00
300_L	304_Y	1.105	1.00
73_K	77_A	1.098	1.00
109_V	262_L	1.089	1.00
230_V	251_G	1.089	1.00
198_L	230_V	1.085	1.00
217_S	220_Q	1.084	1.00
302_T	305_A	1.078	1.00
299_R	302_T	1.074	1.00
144_L	152_S	1.069	1.00
54_R	57_N	1.066	1.00
76_I	95_V	1.066	1.00
276_Y	279_I	1.065	1.00
101_H	263_A	1.065	1.00
167_I	197_I	1.055	1.00
89_K	253_E	1.055	1.00
158_N	162_E	1.050	1.00
291_E	295_A	1.044	1.00
306_K	310_I	1.033	1.00
71_E	74_N	1.031	1.00
294_E	298_H	1.031	1.00
263_A	267_T	1.031	1.00
47_H	50_D	1.029	1.00
47_H	284_G	1.024	1.00
344_V	355_I	1.023	1.00
161_T	164_T	1.021	1.00
314_S	329_K	1.021	1.00
160_I	197_I	1.014	1.00
46_Q	49_I	1.013	1.00
80_F	248_Y	1.011	1.00
111_L	117_V	1.005	1.00
72_L	95_V	1.004	1.00
341_D	345_K	0.993	1.00
31_D	352_K	0.991	1.00
301_N	317_K	0.990	1.00
210_Y	297_E	0.987	1.00
305_A	308_I	0.984	1.00
161_T	195_H	0.984	1.00
198_L	228_Q	0.978	1.00
117_V	166_A	0.975	1.00
189_G	229_T	0.974	1.00
329_K	365_E	0.970	1.00
287_E	291_E	0.969	1.00
131_V	138_P	0.966	1.00
76_I	93_I	0.962	1.00
230_V	249_A	0.961	1.00
42_F	295_A	0.958	1.00
92_Q	256_I	0.954	1.00
77_A	93_I	0.951	1.00
31_D	380_E	0.951	1.00
77_A	89_K	0.949	1.00
153_P	157_K	0.947	1.00
141_V	159_A	0.945	1.00
313_F	328_A	0.944	1.00
347_L	355_I	0.941	1.00
288_P	291_E	0.927	1.00
111_L	166_A	0.926	1.00
340_V	365_E	0.924	1.00
193_L	227_E	0.922	1.00
256_I	260_T	0.922	1.00
216_V	220_Q	0.917	1.00
193_L	228_Q	0.914	1.00
209_T	215_H	0.912	1.00
132_K	138_P	0.911	1.00
346_A	351_E	0.907	1.00
93_I	250_A	0.906	1.00
102_A	232_I	0.904	1.00
198_L	255_I	0.901	1.00
154_E	158_N	0.899	1.00
50_D	57_N	0.895	1.00
230_V	255_I	0.893	1.00
110_I	166_A	0.892	1.00
49_I	56_M	0.892	1.00
105_T	263_A	0.889	1.00
384_R	387_R	0.886	1.00
291_E	294_E	0.883	1.00
253_E	257_K	0.880	1.00
69_L	279_I	0.880	1.00
110_I	198_L	0.875	1.00
123_Y	170_N	0.873	1.00
347_L	385_I	0.871	1.00
99_A	234_G	0.870	1.00
129_E	132_K	0.868	1.00
120_P	151_I	0.867	1.00
303_I	306_K	0.864	1.00
153_P	188_L	0.864	1.00
351_E	388_F	0.864	1.00
232_I	249_A	0.863	1.00
118_I	159_A	0.860	1.00
328_A	367_V	0.857	1.00
300_L	318_P	0.856	1.00
346_A	349_E	0.854	1.00
287_E	290_E	0.853	1.00
97_T	271_T	0.850	1.00
299_R	374_S	0.849	1.00
246_I	270_P	0.848	1.00
343_F	347_L	0.847	1.00
298_H	302_T	0.843	1.00
199_I	218_I	0.842	1.00
251_G	259_M	0.842	1.00
94_I	259_M	0.840	1.00
47_H	280_A	0.831	1.00
218_I	221_L	0.830	1.00
154_E	157_K	0.829	1.00
69_L	275_Q	0.826	1.00
127_Y	168_V	0.825	1.00
341_D	357_P	0.821	1.00
70_A	73_K	0.820	1.00
164_T	197_I	0.818	1.00
78_E	81_K	0.815	1.00
288_P	292_M	0.815	1.00
60_H	276_Y	0.810	1.00
79_K	207_K	0.807	1.00
143_G	173_S	0.804	1.00
246_I	274_A	0.802	1.00
153_P	184_E	0.799	1.00
182_E	214_K	0.795	1.00
120_P	141_V	0.795	1.00
43_N	49_I	0.793	1.00
29_G	352_K	0.793	1.00
51_A	55_S	0.788	1.00
301_N	304_Y	0.786	1.00
109_V	259_M	0.786	1.00
92_Q	226_K	0.784	1.00
355_I	369_L	0.781	1.00
343_F	367_V	0.781	1.00
218_I	229_T	0.781	1.00
223_D	226_K	0.776	1.00
100_K	126_S	0.770	1.00
99_A	204_I	0.770	1.00
104_Y	134_A	0.768	1.00
286_S	290_E	0.768	1.00
139_V	159_A	0.766	1.00
101_H	267_T	0.764	1.00
369_L	381_A	0.763	1.00
340_V	357_P	0.762	1.00
189_G	199_I	0.761	1.00
325_F	366_N	0.760	1.00
79_K	84_Q	0.759	1.00
219_A	231_I	0.758	1.00
150_K	181_T	0.758	1.00
52_A	273_I	0.757	1.00
313_F	326_P	0.756	1.00
118_I	156_L	0.753	1.00
298_H	301_N	0.751	1.00
121_T	362_G	0.748	1.00
47_H	288_P	0.747	1.00
373_T	377_L	0.746	1.00
86_I	219_A	0.742	1.00
94_I	249_A	0.739	1.00
55_S	58_E	0.738	1.00
108_Q	262_L	0.737	1.00
173_S	176_T	0.732	1.00
305_A	379_E	0.729	1.00
310_I	382_I	0.727	1.00
207_K	238_S	0.726	1.00
238_S	289_L	0.722	1.00
79_K	286_S	0.721	1.00
344_V	357_P	0.719	1.00
77_A	88_Y	0.718	1.00
73_K	90_P	0.717	1.00
303_I	371_Y	0.716	1.00
353_V	384_R	0.715	1.00
79_K	239_H	0.709	1.00
101_H	105_T	0.709	1.00
144_L	150_K	0.706	1.00
272_S	276_Y	0.705	1.00
105_T	259_M	0.705	1.00
209_T	212_G	0.703	1.00
340_V	344_V	0.702	1.00
106_L	259_M	0.700	1.00
211_G	297_E	0.695	1.00
289_L	293_R	0.695	1.00
201_S	218_I	0.695	1.00
139_V	164_T	0.694	1.00
160_I	195_H	0.693	1.00
353_V	385_I	0.692	1.00
118_I	167_I	0.689	1.00
160_I	164_T	0.684	1.00
299_R	375_L	0.684	1.00
297_E	300_L	0.683	1.00
276_Y	280_A	0.683	1.00
193_L	223_D	0.682	1.00
40_P	296_F	0.681	1.00
141_V	155_Q	0.680	1.00
119_I	131_V	0.680	1.00
219_A	222_S	0.680	1.00
300_L	317_K	0.679	1.00
116_E	165_K	0.678	1.00
383_E	386_K	0.675	1.00
376_D	379_E	0.670	1.00
44_T	47_H	0.669	1.00
292_M	296_F	0.665	1.00
216_V	221_L	0.662	1.00
251_G	255_I	0.661	1.00
307_L	326_P	0.660	1.00
31_D	377_L	0.658	1.00
117_V	136_G	0.657	1.00
151_I	184_E	0.656	1.00
75_S	282_Y	0.648	1.00
169_I	185_L	0.646	1.00
326_P	366_N	0.646	1.00
65_P	70_A	0.645	1.00
302_T	382_I	0.644	1.00
180_Y	184_E	0.644	1.00
150_K	178_V	0.642	1.00
139_V	161_T	0.642	1.00
203_E	231_I	0.640	1.00
293_R	297_E	0.638	1.00
120_P	173_S	0.638	1.00
216_V	219_A	0.638	1.00
227_E	254_D	0.638	1.00
55_S	277_G	0.637	1.00
111_L	115_D	0.634	1.00
343_F	388_F	0.633	1.00
84_Q	206_E	0.633	1.00
53_V	56_M	0.631	1.00
206_E	233_N	0.630	1.00
254_D	257_K	0.627	1.00
260_T	263_A	0.626	1.00
257_K	260_T	0.625	1.00
68_G	73_K	0.624	1.00
156_L	191_V	0.623	1.00
96_C	249_A	0.623	1.00
142_E	159_A	0.620	1.00
74_N	77_A	0.615	1.00
104_Y	266_S	0.615	1.00
330_E	336_G	0.615	1.00
44_T	48_I	0.614	1.00
187_A	191_V	0.614	1.00
156_L	167_I	0.614	1.00
35_L	378_L	0.612	1.00
127_Y	131_V	0.610	1.00
146_E	150_K	0.608	1.00
158_N	161_T	0.608	1.00
98_G	245_R	0.607	1.00
303_I	378_L	0.605	1.00
119_I	140_Y	0.604	1.00
104_Y	130_Q	0.602	1.00
180_Y	185_L	0.600	1.00
235_V	248_Y	0.598	1.00
353_V	381_A	0.596	1.00
94_I	260_T	0.595	1.00
161_T	194_E	0.592	1.00
72_L	278_A	0.591	1.00
292_M	295_A	0.589	1.00
347_L	388_F	0.587	1.00
64_T	69_L	0.587	1.00
374_S	379_E	0.586	1.00
171_S	203_E	0.586	1.00
55_S	276_Y	0.586	1.00
52_A	55_S	0.585	1.00
348_L	354_A	0.585	1.00
172_P	320_G	0.585	1.00
235_V	282_Y	0.585	1.00
125_V	360_G	0.584	1.00
178_V	319_E	0.583	1.00
46_Q	57_N	0.581	1.00
277_G	280_A	0.579	1.00
192_C	196_D	0.579	1.00
58_E	280_A	0.578	1.00
336_G	339_D	0.578	1.00
71_E	75_S	0.577	1.00
344_V	347_L	0.575	1.00
179_M	209_T	0.575	1.00
100_K	124_W	0.575	1.00
44_T	49_I	0.575	1.00
275_Q	279_I	0.574	1.00
73_K	260_T	0.574	1.00
45_P	48_I	0.573	1.00
80_F	231_I	0.572	1.00
95_V	246_I	0.569	1.00
208_L	296_F	0.569	1.00
109_V	258_A	0.568	1.00
34_G	37_A	0.568	1.00
185_L	218_I	0.567	1.00
210_Y	300_L	0.567	1.00
315_C	324_L	0.566	1.00
32_V	354_A	0.566	1.00
33_I	380_E	0.565	1.00
203_E	206_E	0.563	1.00
211_G	300_L	0.563	1.00
79_K	285_P	0.562	1.00
167_I	192_C	0.561	1.00
222_S	227_E	0.559	1.00
380_E	387_R	0.557	1.00
107_F	134_A	0.554	1.00
103_L	130_Q	0.554	1.00
94_I	251_G	0.551	1.00
358_G	361_F	0.550	1.00
263_A	270_P	0.548	1.00
142_E	152_S	0.547	1.00
102_A	247_G	0.546	1.00
218_I	222_S	0.546	1.00
168_V	200_V	0.545	1.00
34_G	39_E	0.545	1.00
145_E	327_N	0.544	1.00
108_Q	266_S	0.544	1.00
48_I	281_A	0.543	1.00
302_T	378_L	0.543	1.00
205_Y	323_Y	0.541	1.00
358_G	366_N	0.541	1.00
171_S	179_M	0.541	1.00
107_F	166_A	0.540	1.00
359_S	364_P	0.539	1.00
316_V	327_N	0.538	1.00
29_G	32_V	0.538	1.00
47_H	287_E	0.536	1.00
203_E	217_S	0.536	1.00
119_I	128_P	0.535	1.00
159_A	162_E	0.535	1.00
114_E	137_K	0.534	1.00
105_T	262_L	0.532	1.00
97_T	270_P	0.531	1.00
72_L	279_I	0.528	1.00
309_E	379_E	0.527	1.00
88_Y	92_Q	0.527	1.00
252_S	255_I	0.526	1.00
151_I	156_L	0.526	1.00
64_T	272_S	0.524	1.00
215_H	218_I	0.523	1.00
344_V	367_V	0.522	1.00
140_Y	363_S	0.520	1.00
72_L	76_I	0.520	1.00
344_V	348_L	0.519	1.00
55_S	280_A	0.516	1.00
115_D	163_K	0.516	1.00
217_S	221_L	0.515	1.00
192_C	228_Q	0.513	1.00
149_F	366_N	0.512	1.00
157_K	160_I	0.511	1.00
112_D	165_K	0.510	1.00
107_F	130_Q	0.510	1.00
81_K	86_I	0.510	1.00
51_A	277_G	0.508	1.00
284_G	287_E	0.507	1.00
220_Q	223_D	0.507	1.00
106_L	232_I	0.506	1.00
189_G	218_I	0.506	1.00
310_I	313_F	0.505	1.00
107_F	136_G	0.505	1.00
75_S	79_K	0.505	1.00
141_V	151_I	0.505	1.00
217_S	231_I	0.504	1.00
69_L	272_S	0.504	1.00
48_I	241_M	0.504	1.00
79_K	206_E	0.503	1.00
384_R	388_F	0.502	1.00
146_E	184_E	0.501	1.00
166_A	198_L	0.500	1.00
193_L	222_S	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
1j32A	2	0.9873	100	0.27	Contact Map
3dydA	2	0.944	100	0.278	Contact Map
2x5dA	3	0.9542	100	0.281	Contact Map
1b5pA	2	0.9618	100	0.284	Contact Map
1gd9A	2	0.9695	100	0.285	Contact Map
3h14A	2	0.9313	100	0.291	Contact Map
1o4sA	2	0.9593	100	0.293	Contact Map
1xi9A	4	0.9746	100	0.293	Contact Map
1yizA	2	0.9746	100	0.293	Contact Map
2o0rA	2	0.9593	100	0.294	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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