Q9HRX4 - HALSA - GREMLIN Contacts

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Q9HRX4 - Aspartate aminotransferase

UniProt:	Q9HRX4	Sequences: MTEFSDRVAQVSISGIRAVFEAAGEDAINLGLGQPDFPTPDHARQAAVDAIESGAADGYTSNRGTAALVDAIVEKHARDQGVDVAPAGVIATAGGSEALHLAMEAHVDPGDEVLFPDPGFVSYDALTRMAGGNPVGLPLRDDLTLAPETVEDHITDDTAAFVVNSPANPTGAVQSPADMRAFARIADEHDVLCISDEVYEHIVFEGEHRSPMEFADTDNVVVVNACSKTYSMTGWRLGWVAASERRAERMLRVHQYVQACASAPAQYAAEAALSGPQGVVDEMVAAFEARRDVLLDGLEAMGLDVPTPGGAFYAMPTVPDGWIDEVVDRGVVVVPGSAFGDHGAGTARISYATDMATLRDAIDVMRAATAAVQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	373 (344)
Sequences:	43499 (30138)
Seq/√Len:	1624.9

ECOLI - ALAC YBDL ALAA MALY YJIR YDCR AVTA HIS8
BACSU - YUGH PATA YDFD AAT2 MTNE YISV YDEF AAT1 AAT3 CBL YHDI YCXD YDEL GABR HIS8
HALSA - Q9HRX4 Q9HQK2 Q9HRM6 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
48_V	52_E	3.222	1.00
112_E	133_N	2.998	1.00
71_A	274_S	2.914	1.00
92_T	98_A	2.728	1.00
293_V	359_R	2.722	1.00
288_E	292_D	2.647	1.00
107_V	132_G	2.617	1.00
77_A	83_D	2.543	1.00
176_P	180_R	2.476	1.00
304_D	317_T	2.449	1.00
289_A	355_M	2.430	1.00
151_E	188_E	2.335	1.00
111_D	159_A	2.316	1.00
67_A	270_E	2.314	1.00
242_A	247_A	2.274	1.00
360_D	364_V	2.233	1.00
112_E	135_V	2.232	1.00
41_D	45_Q	2.137	1.00
295_L	299_E	2.128	1.00
175_S	178_D	2.093	1.00
295_L	307_T	2.070	1.00
100_H	104_E	2.064	1.00
117_D	136_G	2.001	1.00
297_G	300_A	1.992	1.00
70_D	86_P	1.967	1.00
71_A	74_E	1.953	1.00
325_E	329_R	1.900	1.00
297_G	362_I	1.864	1.00
297_G	301_M	1.829	1.00
293_V	297_G	1.796	1.00
237_L	269_A	1.791	1.00
297_G	366_R	1.770	1.00
149_T	153_H	1.763	1.00
180_R	184_R	1.761	1.00
66_A	70_D	1.754	1.00
144_T	178_D	1.747	1.00
78_R	277_Q	1.743	1.00
74_E	274_S	1.735	1.00
45_Q	49_D	1.734	1.00
194_I	223_V	1.734	1.00
73_V	86_P	1.709	1.00
146_A	149_T	1.708	1.00
124_D	128_R	1.687	1.00
325_E	368_A	1.680	1.00
151_E	181_A	1.680	1.00
360_D	363_D	1.670	1.00
88_G	244_E	1.656	1.00
71_A	270_E	1.648	1.00
324_D	328_D	1.648	1.00
149_T	152_D	1.644	1.00
44_R	48_V	1.640	1.00
293_V	355_M	1.633	1.00
70_D	74_E	1.632	1.00
127_T	132_G	1.623	1.00
297_G	363_D	1.613	1.00
186_A	193_C	1.611	1.00
262_S	265_A	1.606	1.00
190_D	219_N	1.603	1.00
102_A	221_V	1.596	1.00
124_D	136_G	1.590	1.00
354_D	357_T	1.590	1.00
301_M	366_R	1.570	1.00
49_D	271_A	1.567	1.00
112_E	157_D	1.564	1.00
296_D	300_A	1.554	1.00
198_V	225_A	1.548	1.00
113_V	127_T	1.547	1.00
147_P	181_A	1.542	1.00
299_E	305_V	1.538	1.00
117_D	138_P	1.537	1.00
103_M	127_T	1.532	1.00
102_A	194_I	1.516	1.00
292_D	296_D	1.509	1.00
30_L	361_A	1.505	1.00
181_A	184_R	1.498	1.00
72_I	239_W	1.497	1.00
112_E	155_T	1.490	1.00
45_Q	48_V	1.488	1.00
63_R	251_L	1.457	1.00
240_V	250_M	1.455	1.00
65_T	267_Y	1.445	1.00
295_L	305_V	1.440	1.00
95_G	223_V	1.429	1.00
148_E	181_A	1.421	1.00
178_D	181_A	1.414	1.00
66_A	86_P	1.406	1.00
115_F	134_P	1.401	1.00
176_P	209_R	1.400	1.00
294_L	314_A	1.398	1.00
84_V	241_A	1.379	1.00
297_G	359_R	1.376	1.00
109_P	131_G	1.371	1.00
74_E	78_R	1.371	1.00
300_A	366_R	1.371	1.00
46_A	49_D	1.370	1.00
76_H	241_A	1.369	1.00
226_C	269_A	1.368	1.00
333_V	347_A	1.365	1.00
270_E	274_S	1.364	1.00
46_A	271_A	1.359	1.00
353_T	357_T	1.349	1.00
44_R	52_E	1.347	1.00
281_D	285_A	1.341	1.00
299_E	307_T	1.341	1.00
286_A	289_A	1.339	1.00
295_L	314_A	1.314	1.00
286_A	355_M	1.314	1.00
112_E	158_T	1.309	1.00
317_T	346_T	1.302	1.00
25_E	330_G	1.300	1.00
140_R	178_D	1.298	1.00
317_T	345_G	1.297	1.00
320_D	337_S	1.286	1.00
294_L	362_I	1.283	1.00
47_A	268_A	1.276	1.00
184_R	188_E	1.271	1.00
114_L	158_T	1.270	1.00
47_A	51_I	1.268	1.00
154_I	185_I	1.267	1.00
151_E	155_T	1.264	1.00
104_E	130_A	1.264	1.00
138_P	149_T	1.263	1.00
249_R	252_R	1.259	1.00
186_A	191_V	1.258	1.00
325_E	328_D	1.255	1.00
224_N	239_W	1.253	1.00
85_A	88_G	1.253	1.00
315_M	336_G	1.240	1.00
176_P	213_E	1.237	1.00
329_R	367_A	1.234	1.00
147_P	185_I	1.234	1.00
151_E	189_H	1.233	1.00
67_A	274_S	1.232	1.00
87_A	244_E	1.223	1.00
140_R	149_T	1.215	1.00
357_T	360_D	1.209	1.00
98_A	240_V	1.205	1.00
316_P	349_I	1.203	1.00
185_I	189_H	1.201	1.00
355_M	359_R	1.201	1.00
151_E	185_I	1.200	1.00
301_M	363_D	1.194	1.00
63_R	69_V	1.189	1.00
177_A	180_R	1.186	1.00
67_A	267_Y	1.182	1.00
286_A	290_R	1.172	1.00
103_M	107_V	1.171	1.00
177_A	181_A	1.170	1.00
184_R	187_D	1.168	1.00
359_R	363_D	1.163	1.00
93_A	97_E	1.161	1.00
75_K	277_Q	1.156	1.00
185_I	191_V	1.154	1.00
210_S	213_E	1.153	1.00
271_A	274_S	1.151	1.00
69_V	73_V	1.149	1.00
187_D	217_T	1.145	1.00
108_D	111_D	1.145	1.00
218_D	243_S	1.145	1.00
281_D	284_V	1.144	1.00
321_G	325_E	1.143	1.00
90_I	247_A	1.143	1.00
49_D	53_S	1.137	1.00
291_R	351_Y	1.136	1.00
205_E	309_G	1.133	1.00
271_A	275_G	1.132	1.00
248_E	252_R	1.132	1.00
363_D	367_A	1.126	1.00
293_V	296_D	1.108	1.00
321_G	324_D	1.108	1.00
140_R	146_A	1.107	1.00
114_L	137_L	1.107	1.00
285_A	288_E	1.106	1.00
41_D	44_R	1.106	1.00
329_R	364_V	1.103	1.00
290_R	293_V	1.101	1.00
49_D	52_E	1.099	1.00
187_D	216_D	1.097	1.00
192_L	221_V	1.096	1.00
160_A	194_I	1.093	1.00
103_M	162_V	1.090	1.00
267_Y	270_E	1.081	1.00
221_V	242_A	1.080	1.00
180_R	214_F	1.080	1.00
277_Q	281_D	1.076	1.00
291_R	295_L	1.071	1.00
152_D	156_D	1.071	1.00
42_H	45_Q	1.064	1.00
285_A	289_A	1.063	1.00
105_A	253_V	1.053	1.00
282_E	286_A	1.043	1.00
97_E	254_H	1.039	1.00
72_I	91_A	1.034	1.00
211_P	214_F	1.034	1.00
67_A	70_D	1.030	1.00
326_V	333_V	1.028	1.00
204_F	288_E	1.016	1.00
107_V	113_V	1.011	1.00
68_L	91_A	1.007	1.00
154_I	191_V	1.006	1.00
176_P	214_F	1.001	1.00
26_D	330_G	0.999	1.00
278_G	282_E	0.995	1.00
42_H	275_G	0.989	1.00
254_H	258_Q	0.981	1.00
147_P	151_E	0.980	1.00
37_F	286_A	0.979	1.00
296_D	299_E	0.979	1.00
76_H	239_W	0.977	1.00
187_D	218_D	0.975	1.00
183_A	220_V	0.974	1.00
292_D	307_T	0.974	1.00
85_A	244_E	0.972	1.00
304_D	319_P	0.971	1.00
192_L	219_N	0.970	1.00
155_T	158_T	0.964	1.00
279_V	282_E	0.963	1.00
221_V	240_V	0.962	1.00
323_I	333_V	0.962	1.00
72_I	89_V	0.956	1.00
155_T	189_H	0.955	1.00
187_D	219_N	0.955	1.00
127_T	134_P	0.947	1.00
322_W	326_V	0.945	1.00
137_L	153_H	0.942	1.00
319_P	345_G	0.940	1.00
88_G	247_A	0.931	1.00
148_E	152_D	0.930	1.00
74_E	77_A	0.924	1.00
128_R	134_P	0.924	1.00
73_V	89_V	0.922	1.00
89_V	241_A	0.918	1.00
45_Q	52_E	0.918	1.00
24_G	330_G	0.914	1.00
98_A	223_V	0.914	1.00
101_L	254_H	0.913	1.00
26_D	360_D	0.910	1.00
303_L	318_V	0.902	1.00
73_V	85_A	0.900	1.00
192_L	246_R	0.899	1.00
326_V	365_M	0.898	1.00
318_V	347_A	0.894	1.00
90_I	250_M	0.891	1.00
116_P	145_L	0.890	1.00
289_A	293_V	0.886	1.00
282_E	285_A	0.883	1.00
65_T	270_E	0.883	1.00
106_H	192_L	0.882	1.00
221_V	246_R	0.881	1.00
320_D	335_P	0.877	1.00
278_G	281_D	0.876	1.00
38_P	44_R	0.867	1.00
223_V	240_V	0.867	1.00
247_A	251_L	0.867	1.00
95_G	225_A	0.865	1.00
244_E	248_E	0.860	1.00
148_E	151_E	0.858	1.00
320_D	324_D	0.856	1.00
42_H	271_A	0.854	1.00
56_A	267_Y	0.853	1.00
237_L	261_A	0.850	1.00
242_A	250_M	0.845	1.00
237_L	265_A	0.845	1.00
93_A	262_S	0.845	1.00
114_L	153_H	0.844	1.00
75_K	201_H	0.840	1.00
125_A	128_R	0.840	1.00
290_R	354_D	0.839	1.00
364_V	367_A	0.837	1.00
119_G	164_N	0.837	1.00
147_P	182_F	0.834	1.00
203_V	208_H	0.830	1.00
291_R	308_P	0.827	1.00
292_D	295_L	0.824	1.00
294_L	297_G	0.822	1.00
333_V	349_I	0.819	1.00
279_V	283_M	0.819	1.00
105_A	250_M	0.818	1.00
117_D	342_H	0.816	1.00
66_A	69_V	0.810	1.00
135_V	153_H	0.804	1.00
65_T	266_Q	0.803	1.00
211_P	220_V	0.801	1.00
88_G	217_T	0.798	1.00
114_L	150_V	0.798	1.00
147_P	178_D	0.796	1.00
301_M	362_I	0.792	1.00
212_M	215_A	0.790	1.00
183_A	193_C	0.788	1.00
46_A	50_A	0.788	1.00
116_P	137_L	0.779	1.00
69_V	86_P	0.773	1.00
96_S	122_S	0.771	1.00
203_V	206_G	0.771	1.00
44_R	51_I	0.771	1.00
324_D	327_V	0.765	1.00
323_I	335_P	0.765	1.00
42_H	279_V	0.762	1.00
201_H	229_T	0.759	1.00
296_D	359_R	0.758	1.00
167_A	170_T	0.758	1.00
50_A	53_S	0.755	1.00
294_L	351_Y	0.754	1.00
95_G	198_V	0.752	1.00
100_H	130_A	0.751	1.00
315_M	346_T	0.751	1.00
90_I	240_V	0.750	1.00
139_L	167_A	0.747	1.00
280_V	284_V	0.746	1.00
289_A	292_D	0.746	1.00
97_E	258_Q	0.741	1.00
104_E	253_V	0.738	1.00
144_T	175_S	0.737	1.00
303_L	316_P	0.734	1.00
208_H	212_M	0.733	1.00
322_W	347_A	0.732	1.00
336_G	339_F	0.732	1.00
97_E	101_L	0.732	1.00
26_D	357_T	0.729	1.00
331_V	365_M	0.729	1.00
327_V	332_V	0.727	1.00
75_K	80_Q	0.726	1.00
349_I	361_A	0.722	1.00
363_D	366_R	0.722	1.00
212_M	222_V	0.721	1.00
101_L	250_M	0.721	1.00
154_I	189_H	0.716	1.00
158_T	191_V	0.713	1.00
137_L	149_T	0.710	1.00
193_C	211_P	0.709	1.00
291_R	307_T	0.708	1.00
251_L	254_H	0.708	1.00
117_D	340_G	0.708	1.00
140_R	144_T	0.704	1.00
263_A	267_Y	0.704	1.00
100_H	257_V	0.701	1.00
288_E	291_R	0.696	1.00
47_A	264_P	0.695	1.00
331_V	364_V	0.694	1.00
267_Y	271_A	0.694	1.00
73_V	84_V	0.693	1.00
284_V	288_E	0.692	1.00
195_S	211_P	0.692	1.00
71_A	273_L	0.688	1.00
248_E	251_L	0.687	1.00
245_R	248_E	0.686	1.00
102_A	250_M	0.686	1.00
229_T	280_V	0.685	1.00
61_S	66_A	0.680	1.00
356_A	359_R	0.679	1.00
283_M	287_F	0.677	1.00
208_H	213_E	0.677	1.00
326_V	368_A	0.671	1.00
174_Q	178_D	0.671	1.00
150_V	185_I	0.668	1.00
141_D	304_D	0.666	1.00
145_L	178_D	0.666	1.00
107_V	111_D	0.666	1.00
154_I	158_T	0.664	1.00
161_F	191_V	0.664	1.00
209_R	214_F	0.663	1.00
50_A	271_A	0.660	1.00
302_G	319_P	0.660	1.00
39_T	42_H	0.659	1.00
205_E	288_E	0.657	1.00
113_V	132_G	0.653	1.00
106_H	160_A	0.653	1.00
186_A	190_D	0.651	1.00
290_R	355_M	0.651	1.00
209_R	213_E	0.650	1.00
242_A	246_R	0.648	1.00
322_W	368_A	0.647	1.00
323_I	327_V	0.646	1.00
163_V	179_M	0.644	1.00
211_P	215_A	0.644	1.00
197_E	222_V	0.642	1.00
115_F	127_T	0.642	1.00
35_P	287_F	0.639	1.00
200_E	224_N	0.637	1.00
107_V	160_A	0.637	1.00
176_P	207_E	0.637	1.00
110_G	133_N	0.633	1.00
30_L	358_L	0.630	1.00
27_A	332_V	0.630	1.00
44_R	47_A	0.628	1.00
174_Q	179_M	0.626	1.00
268_A	271_A	0.626	1.00
152_D	155_T	0.625	1.00
226_C	239_W	0.624	1.00
68_L	269_A	0.624	1.00
115_F	136_G	0.623	1.00
116_P	167_A	0.623	1.00
298_L	316_P	0.621	1.00
135_V	155_T	0.621	1.00
39_T	43_A	0.621	1.00
70_D	73_V	0.620	1.00
75_K	230_Y	0.619	1.00
80_Q	200_E	0.618	1.00
92_T	240_V	0.618	1.00
294_L	358_L	0.617	1.00
202_I	287_F	0.616	1.00
172_A	309_G	0.616	1.00
100_H	126_L	0.616	1.00
64_G	69_V	0.615	1.00
316_P	346_T	0.615	1.00
90_I	251_L	0.611	1.00
39_T	44_R	0.611	1.00
60_T	65_T	0.610	1.00
112_E	159_A	0.608	1.00
141_D	317_T	0.608	1.00
155_T	188_E	0.606	1.00
293_V	362_I	0.605	1.00
243_S	246_R	0.602	1.00
144_T	172_A	0.602	1.00
165_S	197_E	0.600	1.00
204_F	291_R	0.600	1.00
90_I	242_A	0.599	1.00
48_V	51_I	0.597	1.00
173_V	203_V	0.597	1.00
283_M	286_A	0.596	1.00
105_A	249_R	0.595	1.00
181_A	185_I	0.594	1.00
94_G	236_R	0.592	1.00
50_A	267_Y	0.592	1.00
226_C	273_L	0.590	1.00
99_L	126_L	0.590	1.00
28_I	360_D	0.589	1.00
103_M	130_A	0.589	1.00
69_V	251_L	0.589	1.00
266_Q	270_E	0.589	1.00
50_A	268_A	0.589	1.00
76_H	222_V	0.586	1.00
138_P	153_H	0.586	1.00
300_A	359_R	0.586	1.00
197_E	200_E	0.585	1.00
218_D	245_R	0.585	1.00
41_D	52_E	0.585	1.00
103_M	132_G	0.583	1.00
123_Y	127_T	0.582	1.00
91_A	237_L	0.582	1.00
67_A	71_A	0.580	1.00
141_D	306_P	0.578	1.00
153_H	156_D	0.576	1.00
138_P	146_A	0.576	1.00
145_L	150_V	0.574	1.00
42_H	278_G	0.573	1.00
24_G	27_A	0.573	1.00
217_T	220_V	0.573	1.00
331_V	361_A	0.572	1.00
354_D	359_R	0.572	1.00
103_M	126_L	0.566	1.00
113_V	160_A	0.563	1.00
360_D	367_A	0.562	1.00
166_P	310_G	0.561	1.00
101_L	253_V	0.560	1.00
93_A	261_A	0.559	1.00
123_Y	161_F	0.558	1.00
53_S	56_A	0.557	1.00
322_W	327_V	0.556	1.00
230_Y	277_Q	0.555	1.00
71_A	75_K	0.553	1.00
82_V	212_M	0.553	1.00
329_R	368_A	0.551	1.00
323_I	347_A	0.551	1.00
136_G	341_D	0.549	1.00
121_V	338_A	0.549	1.00
135_V	158_T	0.548	1.00
96_S	120_F	0.548	1.00
37_F	40_P	0.548	1.00
305_V	314_A	0.547	1.00
68_L	270_E	0.545	1.00
358_L	361_A	0.545	1.00
60_T	263_A	0.543	1.00
36_D	290_R	0.542	1.00
337_S	344_A	0.542	1.00
165_S	173_V	0.541	1.00
68_L	72_I	0.541	1.00
40_P	43_A	0.541	1.00
162_V	194_I	0.540	1.00
197_E	210_S	0.539	1.00
210_S	214_F	0.539	1.00
336_G	346_T	0.538	1.00
364_V	368_A	0.538	1.00
151_E	154_I	0.533	1.00
137_L	145_L	0.531	1.00
65_T	263_A	0.530	1.00
98_A	238_G	0.528	1.00
46_A	268_A	0.528	1.00
29_N	34_Q	0.528	1.00
261_A	266_Q	0.528	1.00
205_E	291_R	0.527	1.00
199_Y	313_Y	0.527	1.00
183_A	187_D	0.527	1.00
43_A	272_A	0.526	1.00
186_A	219_N	0.526	1.00
277_Q	280_V	0.526	1.00
254_H	261_A	0.525	1.00
115_F	124_D	0.525	1.00
43_A	232_M	0.520	1.00
306_P	317_T	0.520	1.00
117_D	124_D	0.518	1.00
84_V	88_G	0.517	1.00
77_A	82_V	0.515	1.00
72_I	226_C	0.515	1.00
31_G	332_V	0.514	1.00
245_R	249_R	0.513	1.00
116_P	139_L	0.511	1.00
34_Q	58_G	0.510	1.00
47_A	50_A	0.508	1.00
204_F	287_F	0.508	1.00
215_A	218_D	0.506	1.00
265_A	268_A	0.505	1.00
75_K	200_E	0.505	1.00
294_L	349_I	0.504	1.00
202_I	284_V	0.503	1.00
102_A	223_V	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
2x5dA	3	0.9625	100	0.283	Contact Map
2douA	2	0.9786	100	0.284	Contact Map
1gd9A	2	0.992	100	0.287	Contact Map
2o1bA	2	0.9759	100	0.289	Contact Map
3dydA	2	0.9517	100	0.291	Contact Map
1yizA	2	0.9893	100	0.291	Contact Map
1vp4A	2	0.9946	100	0.292	Contact Map
4my5A	2	0.9946	100	0.292	Contact Map
1b5pA	2	0.9786	100	0.293	Contact Map
3e2yA	2	0.9812	100	0.295	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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