Q9HQK2 - HALSA - GREMLIN Contacts

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Q9HQK2 - Aspartate aminotransferase

UniProt:	Q9HQK2	Sequences: MRDGRDPAGMPSERAAAVTPFAAMDVLERAADRADVIHMEVGEPDFAPPAAATEAAVDALRAGDDDYTTSRGRRSLRDAISGYYAAEYGVSVPAERIVVTPGSSPALLTVLLATVDPGSAVVLSDPHYACYPNFVRLADGVVRTVGLAPDAGFQPAVSDYDAAIGDDTAAMLLNSPGNPTGAVIDGESLSALVALADRTDTAVVSDEIYHGLAFDAAAHSVLEYTDDAFVIDGVSKRYGMTGWRLGWVVCPRRYVDTINAIAQNTLICAPSFVQAGAEAAIRHGTDWLDGVRADYRTRRDILCAAAERWGFDPGYTPAGAYYMLLDVSRLGAAPAVADALLETAGVAVTPGPDFGANATEYVRASFAVSTDAVREAVARIDAVLASATTLT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	391 (347)
Sequences:	43438 (29809)
Seq/√Len:	1600.2

ECOLI - YBDL ALAC ALAA MALY AVTA YJIR YDCR HIS8
BACSU - YUGH PATA AAT2 AAT1 MTNE YDFD AAT3 YISV CBL YDEF YCXD YHDI YDEL GABR HIS8
HALSA - Q9HQK2 Q9HRM6 Q9HRX4 Q9HQW2 HIS8 Q9HPL0
SULSO - AAT Y104 Q97TY7 Q97YX5 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
57_V	61_R	3.096	1.00
120_A	141_V	2.969	1.00
344_A	382_A	2.907	1.00
100_T	106_A	2.892	1.00
161_D	198_R	2.767	1.00
301_I	374_R	2.752	1.00
296_R	300_D	2.746	1.00
79_A	282_R	2.707	1.00
186_G	190_S	2.701	1.00
297_T	370_T	2.535	1.00
115_V	140_G	2.532	1.00
119_S	169_A	2.524	1.00
375_E	379_R	2.471	1.00
85_A	91_S	2.460	1.00
50_A	54_E	2.350	1.00
75_S	278_E	2.344	1.00
250_C	255_V	2.295	1.00
185_D	188_S	2.101	1.00
108_L	112_L	2.098	1.00
305_A	377_V	2.032	1.00
190_S	194_A	1.996	1.00
245_L	277_A	1.988	1.00
120_A	143_R	1.970	1.00
305_A	308_R	1.935	1.00
375_E	378_A	1.914	1.00
332_A	335_A	1.897	1.00
78_D	94_A	1.885	1.00
303_C	307_E	1.881	1.00
54_E	58_D	1.880	1.00
82_G	282_R	1.836	1.00
135_V	140_G	1.812	1.00
158_S	191_A	1.800	1.00
159_D	163_A	1.795	1.00
154_Q	188_S	1.788	1.00
304_A	308_R	1.786	1.00
161_D	191_A	1.770	1.00
78_D	82_G	1.765	1.00
125_D	144_T	1.760	1.00
204_V	231_I	1.732	1.00
338_D	342_E	1.717	1.00
74_R	78_D	1.710	1.00
81_S	94_A	1.708	1.00
156_A	159_D	1.704	1.00
301_I	305_A	1.699	1.00
300_D	304_A	1.687	1.00
305_A	381_D	1.671	1.00
148_A	188_S	1.662	1.00
196_A	203_V	1.660	1.00
305_A	378_A	1.655	1.00
313_P	326_D	1.649	1.00
305_A	309_W	1.649	1.00
110_V	229_F	1.641	1.00
39_M	376_A	1.640	1.00
369_S	372_A	1.635	1.00
79_A	82_G	1.629	1.00
58_D	279_A	1.620	1.00
303_C	316_T	1.612	1.00
208_I	233_G	1.610	1.00
96_R	252_R	1.605	1.00
159_D	162_A	1.597	1.00
120_A	167_D	1.593	1.00
132_P	136_R	1.587	1.00
120_A	165_G	1.555	1.00
339_A	383_V	1.541	1.00
120_A	168_T	1.538	1.00
302_L	323_M	1.527	1.00
121_V	135_V	1.523	1.00
170_A	204_V	1.521	1.00
191_A	194_A	1.521	1.00
110_V	204_V	1.515	1.00
80_I	247_W	1.509	1.00
53_T	57_V	1.508	1.00
111_L	135_V	1.485	1.00
103_S	231_I	1.482	1.00
301_I	370_T	1.479	1.00
248_V	258_I	1.464	1.00
200_D	227_D	1.463	1.00
344_A	379_R	1.462	1.00
270_P	273_V	1.459	1.00
79_A	278_E	1.445	1.00
84_Y	249_V	1.442	1.00
348_V	362_V	1.441	1.00
289_D	293_A	1.432	1.00
92_V	249_V	1.432	1.00
95_E	252_R	1.416	1.00
335_A	339_A	1.415	1.00
333_A	352_P	1.411	1.00
308_R	381_D	1.405	1.00
194_A	198_R	1.387	1.00
75_S	282_R	1.386	1.00
303_C	323_M	1.381	1.00
125_D	146_G	1.379	1.00
157_V	195_L	1.373	1.00
164_I	195_L	1.370	1.00
187_E	190_S	1.368	1.00
157_V	191_A	1.361	1.00
309_W	381_D	1.358	1.00
161_D	199_T	1.355	1.00
122_V	168_T	1.347	1.00
294_D	297_T	1.340	1.00
302_L	377_V	1.329	1.00
53_T	61_R	1.327	1.00
234_V	277_A	1.327	1.00
196_A	201_T	1.319	1.00
73_R	275_A	1.316	1.00
132_P	144_T	1.308	1.00
195_L	199_T	1.306	1.00
56_A	276_G	1.305	1.00
56_A	60_L	1.304	1.00
54_E	57_V	1.297	1.00
294_D	370_T	1.295	1.00
55_A	279_A	1.293	1.00
188_S	191_A	1.289	1.00
71_R	259_N	1.280	1.00
324_L	351_G	1.276	1.00
98_V	255_V	1.274	1.00
335_A	338_D	1.272	1.00
312_D	326_D	1.271	1.00
378_A	382_A	1.264	1.00
146_G	159_D	1.262	1.00
165_G	168_T	1.259	1.00
374_R	378_A	1.245	1.00
326_D	361_Y	1.242	1.00
278_E	282_R	1.240	1.00
123_L	142_V	1.239	1.00
194_A	197_D	1.232	1.00
325_L	364_A	1.216	1.00
307_E	313_P	1.212	1.00
229_F	250_C	1.209	1.00
257_T	260_A	1.208	1.00
111_L	172_L	1.203	1.00
58_D	62_A	1.202	1.00
293_A	296_R	1.200	1.00
326_D	360_E	1.200	1.00
305_A	374_R	1.199	1.00
195_L	201_T	1.197	1.00
74_R	94_A	1.197	1.00
289_D	292_R	1.195	1.00
34_A	345_G	1.192	1.00
117_P	139_D	1.188	1.00
75_S	275_A	1.175	1.00
71_R	77_R	1.169	1.00
80_I	99_V	1.166	1.00
187_E	191_A	1.162	1.00
161_D	165_G	1.161	1.00
112_L	138_A	1.156	1.00
122_V	145_V	1.154	1.00
162_A	166_D	1.147	1.00
93_P	96_R	1.146	1.00
256_D	260_A	1.142	1.00
232_D	247_W	1.141	1.00
299_R	303_C	1.138	1.00
161_D	195_L	1.138	1.00
332_A	359_T	1.137	1.00
285_T	289_D	1.137	1.00
77_R	81_S	1.134	1.00
105_P	262_A	1.134	1.00
111_L	115_V	1.133	1.00
339_A	342_E	1.127	1.00
84_Y	247_W	1.126	1.00
334_P	352_P	1.126	1.00
370_T	374_R	1.118	1.00
113_A	261_I	1.112	1.00
368_V	372_A	1.111	1.00
293_A	297_T	1.110	1.00
101_P	105_P	1.110	1.00
294_D	298_R	1.109	1.00
279_A	282_R	1.101	1.00
115_V	121_V	1.098	1.00
55_A	58_D	1.095	1.00
215_D	318_A	1.092	1.00
337_A	348_V	1.090	1.00
106_A	248_V	1.082	1.00
299_R	366_F	1.080	1.00
171_M	201_T	1.079	1.00
229_F	248_V	1.076	1.00
328_S	360_E	1.067	1.00
93_P	252_R	1.066	1.00
148_A	156_A	1.063	1.00
83_Y	285_T	1.062	1.00
372_A	375_E	1.061	1.00
51_A	283_H	1.061	1.00
50_A	53_T	1.059	1.00
197_D	226_D	1.058	1.00
135_V	142_V	1.054	1.00
309_W	378_A	1.050	1.00
116_D	119_S	1.048	1.00
310_G	313_P	1.046	1.00
226_D	251_P	1.042	1.00
202_A	229_F	1.042	1.00
75_S	78_D	1.032	1.00
262_A	266_L	1.031	1.00
114_T	170_A	1.029	1.00
307_E	316_T	1.029	1.00
193_V	224_Y	1.028	1.00
53_T	60_L	1.027	1.00
80_I	97_I	1.026	1.00
298_R	301_I	1.017	1.00
145_V	163_A	1.013	1.00
333_A	360_E	1.012	1.00
279_A	283_H	1.007	1.00
81_S	93_P	1.003	1.00
81_S	97_I	1.002	1.00
340_L	348_V	1.000	1.00
220_S	223_E	0.995	1.00
164_I	201_T	0.989	1.00
76_L	99_V	0.989	1.00
301_I	304_A	0.985	1.00
87_E	285_T	0.980	1.00
96_R	255_V	0.980	1.00
190_S	224_Y	0.980	1.00
304_A	307_E	0.978	1.00
364_A	376_A	0.969	1.00
193_V	228_A	0.969	1.00
35_D	345_G	0.965	1.00
109_T	262_A	0.957	1.00
158_S	162_A	0.952	1.00
58_D	61_R	0.947	1.00
197_D	225_T	0.946	1.00
286_D	290_G	0.946	1.00
114_T	202_A	0.942	1.00
121_V	170_A	0.936	1.00
290_G	294_D	0.934	1.00
74_R	77_R	0.932	1.00
197_D	227_D	0.930	1.00
339_A	344_A	0.926	1.00
98_V	258_I	0.923	1.00
148_A	159_D	0.917	1.00
165_G	199_T	0.915	1.00
127_H	174_N	0.915	1.00
106_A	231_I	0.914	1.00
97_I	249_V	0.913	1.00
46_F	294_D	0.913	1.00
113_A	258_I	0.911	1.00
334_P	338_D	0.907	1.00
252_R	256_D	0.907	1.00
340_L	380_I	0.898	1.00
158_S	161_D	0.897	1.00
101_P	270_P	0.895	1.00
202_A	254_Y	0.893	1.00
290_G	293_A	0.892	1.00
275_A	278_E	0.889	1.00
136_R	142_V	0.886	1.00
193_V	203_V	0.882	1.00
304_A	374_R	0.881	1.00
336_V	362_V	0.878	1.00
157_V	161_D	0.878	1.00
51_A	54_E	0.875	1.00
122_V	163_A	0.874	1.00
309_W	377_V	0.873	1.00
255_V	259_N	0.872	1.00
35_D	375_E	0.865	1.00
229_F	254_Y	0.862	1.00
231_I	248_V	0.859	1.00
164_I	168_T	0.855	1.00
110_V	258_I	0.855	1.00
73_R	278_E	0.852	1.00
157_V	192_L	0.851	1.00
103_S	233_G	0.851	1.00
302_L	305_A	0.847	1.00
103_S	208_I	0.845	1.00
168_T	201_T	0.845	1.00
131_Y	172_L	0.844	1.00
96_R	225_T	0.843	1.00
54_E	61_R	0.840	1.00
250_C	258_I	0.836	1.00
224_Y	227_D	0.835	1.00
83_Y	211_G	0.833	1.00
39_M	373_V	0.832	1.00
124_S	155_P	0.831	1.00
300_D	316_T	0.827	1.00
286_D	289_D	0.826	1.00
157_V	188_S	0.823	1.00
213_A	216_A	0.819	1.00
155_P	188_S	0.818	1.00
287_W	290_G	0.818	1.00
245_L	269_A	0.816	1.00
299_R	317_P	0.816	1.00
221_V	228_A	0.813	1.00
202_A	227_D	0.809	1.00
186_G	223_E	0.806	1.00
344_A	383_V	0.806	1.00
327_V	362_V	0.803	1.00
331_G	336_V	0.801	1.00
115_V	170_A	0.799	1.00
245_L	273_V	0.798	1.00
51_A	279_A	0.795	1.00
302_L	373_V	0.794	1.00
83_Y	87_E	0.793	1.00
104_S	130_C	0.787	1.00
348_V	364_A	0.786	1.00
105_P	266_L	0.785	1.00
122_V	160_Y	0.785	1.00
33_R	345_G	0.782	1.00
55_A	59_A	0.778	1.00
44_P	295_Y	0.777	1.00
82_G	85_A	0.776	1.00
124_S	145_V	0.775	1.00
331_G	335_A	0.770	1.00
133_N	136_R	0.769	1.00
334_P	350_P	0.769	1.00
346_V	380_I	0.766	1.00
47_A	53_T	0.763	1.00
297_T	300_D	0.762	1.00
301_I	377_V	0.759	1.00
56_A	272_F	0.759	1.00
332_A	336_V	0.758	1.00
298_R	369_S	0.757	1.00
83_Y	238_Y	0.757	1.00
214_F	296_R	0.756	1.00
125_D	357_N	0.756	1.00
287_W	291_V	0.753	1.00
302_L	366_F	0.753	1.00
147_L	177_G	0.751	1.00
122_V	171_M	0.751	1.00
73_R	274_Q	0.751	1.00
207_E	230_V	0.750	1.00
211_G	237_R	0.747	1.00
100_T	248_V	0.746	1.00
346_V	379_R	0.746	1.00
222_L	230_V	0.742	1.00
333_A	350_P	0.741	1.00
105_P	109_T	0.738	1.00
111_L	170_A	0.738	1.00
87_E	211_G	0.735	1.00
300_D	303_C	0.735	1.00
154_Q	185_D	0.734	1.00
150_D	154_Q	0.731	1.00
83_Y	88_Y	0.727	1.00
35_D	372_A	0.726	1.00
297_T	301_I	0.725	1.00
125_D	355_G	0.724	1.00
237_R	288_L	0.720	1.00
121_V	140_G	0.719	1.00
313_P	328_S	0.718	1.00
115_V	119_S	0.718	1.00
143_R	165_G	0.718	1.00
148_A	154_Q	0.713	1.00
371_D	374_R	0.713	1.00
336_V	383_V	0.711	1.00
98_V	248_V	0.709	1.00
160_Y	171_M	0.709	1.00
336_V	340_L	0.706	1.00
215_D	296_R	0.705	1.00
337_A	350_P	0.705	1.00
77_R	94_A	0.705	1.00
183_V	319_G	0.704	1.00
109_T	258_I	0.703	1.00
177_G	180_T	0.701	1.00
79_A	281_I	0.698	1.00
203_V	221_V	0.695	1.00
59_A	276_G	0.694	1.00
379_R	382_A	0.691	1.00
123_L	135_V	0.691	1.00
143_R	168_T	0.690	1.00
145_V	159_D	0.687	1.00
209_Y	322_Y	0.687	1.00
333_A	337_A	0.685	1.00
143_R	163_A	0.685	1.00
76_L	80_I	0.683	1.00
102_G	244_R	0.681	1.00
160_Y	195_L	0.680	1.00
197_D	224_Y	0.677	1.00
164_I	199_T	0.676	1.00
288_L	292_R	0.676	1.00
331_G	339_A	0.676	1.00
224_Y	228_A	0.673	1.00
51_A	287_W	0.672	1.00
324_L	361_Y	0.672	1.00
346_V	376_A	0.672	1.00
81_S	92_V	0.672	1.00
131_Y	135_V	0.671	1.00
262_A	269_A	0.670	1.00
234_V	247_W	0.669	1.00
104_S	128_Y	0.667	1.00
48_P	51_A	0.667	1.00
108_L	138_A	0.667	1.00
186_G	218_A	0.661	1.00
124_S	177_G	0.661	1.00
238_Y	285_T	0.657	1.00
215_D	299_R	0.656	1.00
57_V	60_L	0.654	1.00
226_D	253_R	0.651	1.00
173_L	189_L	0.651	1.00
99_V	245_L	0.650	1.00
341_L	347_A	0.646	1.00
49_P	52_A	0.645	1.00
291_V	295_Y	0.644	1.00
120_A	169_A	0.643	1.00
72_G	77_R	0.643	1.00
351_G	354_F	0.641	1.00
325_L	361_Y	0.640	1.00
45_D	298_R	0.639	1.00
146_G	163_A	0.639	1.00
118_G	141_V	0.637	1.00
378_A	381_D	0.637	1.00
48_P	52_A	0.636	1.00
271_S	275_A	0.636	1.00
253_R	256_D	0.635	1.00
172_L	204_V	0.630	1.00
306_A	325_L	0.630	1.00
301_I	373_V	0.628	1.00
64_D	275_A	0.626	1.00
171_M	196_A	0.626	1.00
88_Y	210_H	0.624	1.00
98_V	259_N	0.623	1.00
168_T	171_M	0.623	1.00
250_C	254_Y	0.620	1.00
112_L	261_I	0.619	1.00
38_H	43_E	0.619	1.00
62_A	279_A	0.618	1.00
111_L	140_G	0.614	1.00
225_T	228_A	0.611	1.00
108_L	134_F	0.610	1.00
184_I	188_S	0.609	1.00
37_I	375_E	0.609	1.00
298_R	370_T	0.607	1.00
48_P	53_T	0.607	1.00
214_F	299_R	0.604	1.00
92_V	96_R	0.603	1.00
308_R	374_R	0.602	1.00
299_R	316_T	0.602	1.00
175_S	207_E	0.601	1.00
184_I	189_L	0.599	1.00
123_L	132_P	0.598	1.00
36_V	347_A	0.598	1.00
68_T	73_R	0.597	1.00
123_L	144_T	0.596	1.00
154_Q	182_A	0.593	1.00
55_A	276_G	0.590	1.00
84_Y	230_V	0.589	1.00
162_A	165_G	0.589	1.00
110_V	231_I	0.587	1.00
312_D	325_L	0.586	1.00
351_G	361_Y	0.586	1.00
212_L	292_R	0.586	1.00
98_V	250_C	0.584	1.00
251_P	254_Y	0.584	1.00
210_H	232_D	0.583	1.00
333_A	336_V	0.583	1.00
107_L	134_F	0.583	1.00
296_R	299_R	0.583	1.00
51_A	286_D	0.582	1.00
146_G	156_A	0.582	1.00
52_A	280_A	0.581	1.00
111_L	138_A	0.580	1.00
276_G	279_A	0.578	1.00
33_R	36_V	0.578	1.00
337_A	362_V	0.577	1.00
337_A	340_L	0.576	1.00
340_L	383_V	0.574	1.00
259_N	262_A	0.573	1.00
156_A	188_S	0.572	1.00
275_A	279_A	0.572	1.00
76_L	277_A	0.572	1.00
149_P	326_D	0.570	1.00
292_R	296_R	0.569	1.00
256_D	259_N	0.568	1.00
52_A	240_M	0.563	1.00
302_L	364_A	0.561	1.00
119_S	167_D	0.561	1.00
150_D	188_S	0.561	1.00
78_D	81_S	0.561	1.00
212_L	295_Y	0.560	1.00
369_S	374_R	0.560	1.00
77_R	259_N	0.559	1.00
155_P	160_Y	0.559	1.00
375_E	382_A	0.557	1.00
111_L	134_F	0.556	1.00
175_S	183_V	0.554	1.00
205_S	230_V	0.553	1.00
176_P	319_G	0.553	1.00
48_P	287_W	0.552	1.00
234_V	281_I	0.551	1.00
109_T	261_I	0.551	1.00
78_D	282_R	0.551	1.00
83_Y	210_H	0.549	1.00
285_T	288_L	0.549	1.00
116_D	169_A	0.549	1.00
108_L	265_T	0.549	1.00
101_P	269_A	0.548	1.00
214_F	366_F	0.547	1.00
42_G	209_Y	0.547	1.00
40_E	347_A	0.545	1.00
337_A	341_L	0.543	1.00
46_F	49_P	0.542	1.00
69_T	74_R	0.542	1.00
203_V	224_Y	0.539	1.00
182_A	318_A	0.537	1.00
333_A	359_T	0.537	1.00
213_A	219_H	0.536	1.00
106_A	246_G	0.534	1.00
196_A	199_T	0.532	1.00
326_D	329_R	0.531	1.00
165_G	198_R	0.530	1.00
104_S	267_I	0.528	1.00
170_A	202_A	0.526	1.00
99_V	274_Q	0.526	1.00
68_T	268_C	0.525	1.00
196_A	200_D	0.524	1.00
68_T	271_S	0.521	1.00
115_V	169_A	0.520	1.00
178_N	209_Y	0.520	1.00
274_Q	278_E	0.519	1.00
207_E	220_S	0.518	1.00
59_A	62_A	0.517	1.00
155_P	171_M	0.515	1.00
85_A	90_V	0.515	1.00
332_A	352_P	0.511	1.00
338_D	341_L	0.509	1.00
145_V	155_P	0.507	1.00
38_H	41_V	0.507	1.00
236_K	244_R	0.504	1.00
75_S	79_A	0.503	1.00
193_V	225_T	0.502	1.00
171_M	195_L	0.502	1.00
183_V	213_A	0.502	1.00
73_R	271_S	0.502	1.00
129_A	353_D	0.500	1.00
191_A	195_L	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
3h14A	2	0.9309	100	0.294	Contact Map
1gd9A	2	0.9719	100	0.298	Contact Map
4my5A	2	0.977	100	0.299	Contact Map
1xi9A	4	0.977	100	0.302	Contact Map
2x5dA	3	0.9463	100	0.306	Contact Map
3piuA	2	0.9309	100	0.309	Contact Map
1yizA	2	0.9591	100	0.31	Contact Map
2o1bA	2	0.9412	100	0.31	Contact Map
3dydA	2	0.9361	100	0.311	Contact Map
1b5pA	2	0.9616	100	0.315	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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