Q9HN77 - HALSA - GREMLIN Contacts

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Q9HN77 - Pyruvate dehydrogenase alpha subunit

UniProt:	Q9HN77	Sequences: MALVLPNQSTETGQWVEIRWQRSPWKRLLRKSYSRRGRSSAHVRTGVPVTETIHRAPDDTYRVLDENGELVDGAEVPDLTDDELVEMYRYMKLARRFDERAVSLQRQGRIGTYPPLSGQEGAQIASAMALADDDWIVPSYREHGASLVRGLPLKDTLLYWMGDERGNAIPAEENIFTVAVPIASQIPHATGMGWASQLKDESDTAFMCYFGDGATSEGDFHEGLNFAGVYDTPNVFFCNNNQWAISVPREQQTATDTLAQKAAAYGFEGVQVDGMDPLAVYQVAHDAIEKAKDPDEDEMRPTLIEAVQYRFGAHTTADDPSVYREESEVEAWKDKDPIPRLETFLVETDRLDDAAIESIEADIEDAVADAIEAAEETPRPDPASMFENVYAEMPQRLEQQLEYFQSIRDEYGDEALLED	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	419 (340)
Sequences:	3074 (1695)
Seq/√Len:	91.9

BACSU - ODPA ACOA ODBA
HALSA - Q9HN77 Q9HNV6
SULSO - Q97YF6 Q97Y23

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
89_R	362_D	5.006	1.00
221_H	265_Y	4.079	1.00
352_D	355_A	3.955	1.00
126_S	209_Y	3.642	1.00
235_V	291_A	3.560	1.00
205_A	288_I	3.434	1.00
289_E	293_D	3.387	1.00
288_I	292_K	3.346	1.00
137_V	192_M	3.091	1.00
65_D	69_E	3.068	1.00
262_A	269_G	3.051	1.00
94_A	144_G	2.997	1.00
353_D	357_E	2.982	1.00
80_T	83_E	2.960	1.00
342_E	346_V	2.937	1.00
210_F	238_C	2.934	1.00
154_K	373_A	2.774	1.00
294_P	300_R	2.680	1.00
290_K	302_T	2.648	1.00
351_L	356_I	2.589	1.00
196_S	206_F	2.569	1.00
290_K	299_M	2.490	1.00
342_E	356_I	2.470	1.00
231_D	254_A	2.401	1.00
131_A	203_D	2.253	1.00
346_V	353_D	2.250	1.00
293_D	299_M	2.222	1.00
186_I	223_G	2.173	1.00
86_E	90_Y	2.169	1.00
210_F	214_A	2.130	1.00
270_V	286_D	2.122	1.00
93_L	366_A	2.100	1.00
84_L	345_L	2.071	1.00
387_E	401_L	2.051	1.00
384_S	387_E	2.017	1.00
193_G	234_N	1.999	1.00
220_F	224_L	1.981	1.00
238_C	258_L	1.967	1.00
81_D	350_R	1.952	1.00
268_E	300_R	1.947	1.00
237_F	306_A	1.904	1.00
81_D	348_T	1.881	1.00
196_S	204_T	1.857	1.00
369_D	373_A	1.849	1.00
365_D	369_D	1.844	1.00
109_R	375_E	1.815	1.00
268_E	290_K	1.763	1.00
165_R	388_N	1.747	1.00
61_Y	283_V	1.741	1.00
181_P	184_S	1.725	1.00
275_M	311_F	1.717	1.00
372_E	376_E	1.699	1.00
358_S	362_D	1.688	1.00
92_K	363_I	1.679	1.00
362_D	366_A	1.673	1.00
196_S	201_E	1.671	1.00
81_D	355_A	1.639	1.00
186_I	220_F	1.584	1.00
126_S	284_A	1.575	1.00
190_T	223_G	1.574	1.00
200_D	203_D	1.567	1.00
126_S	237_F	1.564	1.00
283_V	304_I	1.549	1.00
85_V	355_A	1.544	1.00
354_A	357_E	1.543	1.00
87_M	128_M	1.539	1.00
179_A	184_S	1.526	1.00
90_Y	128_M	1.520	1.00
270_V	283_V	1.519	1.00
125_A	277_P	1.518	1.00
271_Q	307_V	1.507	1.00
146_S	175_I	1.501	1.00
87_M	277_P	1.501	1.00
218_G	222_E	1.486	1.00
126_S	207_M	1.480	1.00
262_A	267_F	1.478	1.00
133_D	204_T	1.474	1.00
152_P	155_D	1.471	1.00
330_E	334_D	1.470	1.00
275_M	308_Q	1.463	1.00
194_W	198_L	1.454	1.00
272_V	283_V	1.454	1.00
207_M	284_A	1.451	1.00
291_A	302_T	1.433	0.99
326_E	330_E	1.431	0.99
355_A	358_S	1.414	0.99
125_A	280_V	1.408	0.99
276_D	279_A	1.399	0.99
243_W	328_E	1.378	0.99
327_S	330_E	1.362	0.99
330_E	333_K	1.357	0.99
205_A	235_V	1.356	0.99
193_G	233_P	1.333	0.99
207_M	235_V	1.329	0.99
237_F	284_A	1.327	0.99
81_D	85_V	1.310	0.99
105_Q	316_T	1.308	0.99
343_T	347_E	1.295	0.99
370_A	374_A	1.282	0.99
272_V	279_A	1.271	0.99
205_A	292_K	1.268	0.99
207_M	237_F	1.262	0.99
122_A	237_F	1.259	0.99
201_E	204_T	1.258	0.99
346_V	356_I	1.256	0.99
278_L	341_L	1.256	0.99
394_P	397_L	1.255	0.99
357_E	361_A	1.250	0.99
85_V	351_L	1.241	0.98
155_D	172_E	1.240	0.98
313_A	320_P	1.232	0.98
231_D	300_R	1.231	0.98
92_K	338_I	1.219	0.98
269_G	303_L	1.219	0.98
366_A	370_A	1.218	0.98
398_E	402_E	1.210	0.98
96_R	367_V	1.205	0.98
351_L	359_I	1.188	0.98
242_Q	307_V	1.185	0.98
332_W	335_K	1.182	0.98
130_L	136_I	1.181	0.98
361_A	365_D	1.180	0.98
190_T	236_F	1.176	0.98
183_A	220_F	1.173	0.98
299_M	302_T	1.173	0.98
396_R	399_Q	1.168	0.98
286_D	289_E	1.162	0.98
116_L	143_H	1.145	0.97
281_Y	285_H	1.144	0.97
294_P	299_M	1.130	0.97
326_E	329_V	1.127	0.97
284_A	304_I	1.124	0.97
62_R	71_V	1.122	0.97
135_W	196_S	1.118	0.97
79_L	281_Y	1.118	0.97
83_E	86_E	1.115	0.97
168_A	177_T	1.113	0.97
136_I	145_A	1.107	0.97
287_A	291_A	1.094	0.97
309_Y	328_E	1.085	0.96
344_F	348_T	1.083	0.96
84_L	341_L	1.081	0.96
381_D	384_S	1.077	0.96
69_E	347_E	1.077	0.96
215_T	258_L	1.076	0.96
366_A	369_D	1.076	0.96
216_S	252_Q	1.070	0.96
112_T	315_T	1.069	0.96
341_L	344_F	1.056	0.96
62_R	65_D	1.052	0.96
351_L	355_A	1.046	0.95
154_K	370_A	1.046	0.95
342_E	360_E	1.045	0.95
183_A	214_A	1.043	0.95
88_Y	92_K	1.043	0.95
86_E	128_M	1.041	0.95
205_A	291_A	1.039	0.95
287_A	302_T	1.038	0.95
397_L	400_Q	1.036	0.95
133_D	203_D	1.036	0.95
345_L	350_R	1.036	0.95
270_V	302_T	1.034	0.95
189_A	234_N	1.029	0.95
84_L	278_L	1.028	0.95
339_P	343_T	1.022	0.95
356_I	360_E	1.021	0.95
154_K	369_D	1.014	0.95
129_A	281_Y	1.009	0.95
159_Y	180_V	1.003	0.94
260_Q	263_A	1.003	0.94
213_G	244_A	1.001	0.94
62_R	66_E	0.994	0.94
96_R	364_E	0.992	0.94
87_M	281_Y	0.988	0.94
372_E	375_E	0.987	0.94
209_Y	237_F	0.984	0.94
224_L	303_L	0.983	0.94
253_T	261_K	0.981	0.94
235_V	288_I	0.975	0.93
203_D	293_D	0.974	0.93
128_M	281_Y	0.969	0.93
99_E	117_S	0.969	0.93
257_T	260_Q	0.967	0.93
112_T	168_A	0.964	0.93
89_R	93_L	0.963	0.93
240_N	305_E	0.960	0.93
137_V	176_F	0.957	0.93
393_M	401_L	0.947	0.92
133_D	201_E	0.947	0.92
193_G	232_T	0.947	0.92
147_L	156_T	0.946	0.92
324_R	328_E	0.946	0.92
231_D	299_M	0.944	0.92
92_K	360_E	0.941	0.92
253_T	258_L	0.941	0.92
122_A	306_A	0.940	0.92
285_H	289_E	0.938	0.92
346_V	351_L	0.927	0.92
354_A	358_S	0.927	0.92
280_V	306_A	0.924	0.91
341_L	345_L	0.914	0.91
331_A	334_D	0.912	0.91
214_A	238_C	0.907	0.91
215_T	220_F	0.901	0.90
309_Y	332_W	0.899	0.90
114_P	315_T	0.898	0.90
238_C	303_L	0.892	0.90
174_N	204_T	0.890	0.90
359_I	363_I	0.884	0.90
224_L	267_F	0.881	0.89
182_I	217_E	0.878	0.89
392_E	398_E	0.876	0.89
104_L	371_I	0.876	0.89
131_A	288_I	0.875	0.89
91_M	341_L	0.871	0.89
83_E	281_Y	0.871	0.89
363_I	366_A	0.868	0.89
342_E	351_L	0.868	0.89
130_L	235_V	0.867	0.89
186_I	210_F	0.865	0.89
135_W	176_F	0.865	0.89
132_D	173_E	0.861	0.88
82_D	86_E	0.861	0.88
83_E	285_H	0.856	0.88
155_D	158_L	0.854	0.88
216_S	261_K	0.852	0.88
197_Q	231_D	0.845	0.87
273_D	279_A	0.843	0.87
131_A	204_T	0.836	0.87
255_T	264_A	0.836	0.87
383_A	387_E	0.835	0.87
192_M	206_F	0.830	0.86
91_M	338_I	0.829	0.86
88_Y	342_E	0.828	0.86
290_K	294_P	0.826	0.86
154_K	158_L	0.826	0.86
60_T	63_V	0.823	0.86
127_A	149_R	0.822	0.86
84_L	350_R	0.820	0.86
228_G	266_G	0.818	0.86
159_Y	167_N	0.816	0.85
282_Q	286_D	0.815	0.85
343_T	346_V	0.809	0.85
260_Q	264_A	0.806	0.85
124_I	144_G	0.804	0.85
190_T	232_T	0.804	0.85
130_L	288_I	0.802	0.84
90_Y	148_V	0.801	0.84
183_A	186_I	0.797	0.84
119_Q	139_S	0.796	0.84
228_G	267_F	0.795	0.84
210_F	215_T	0.786	0.83
92_K	359_I	0.785	0.83
85_V	345_L	0.783	0.83
368_A	372_E	0.781	0.83
125_A	129_A	0.780	0.83
290_K	300_R	0.779	0.83
383_A	401_L	0.778	0.83
93_L	147_L	0.766	0.82
369_D	372_E	0.765	0.82
158_L	377_T	0.758	0.81
255_T	260_Q	0.757	0.81
153_L	366_A	0.756	0.81
140_Y	315_T	0.751	0.80
331_A	335_K	0.749	0.80
61_Y	270_V	0.747	0.80
130_L	207_M	0.746	0.80
63_V	70_L	0.744	0.80
101_A	157_L	0.743	0.80
167_N	180_V	0.743	0.80
139_S	142_E	0.742	0.80
175_I	178_V	0.741	0.79
157_L	371_I	0.737	0.79
261_K	264_A	0.734	0.79
114_P	180_V	0.733	0.79
97_F	156_T	0.732	0.79
64_L	70_L	0.732	0.79
95_R	336_D	0.730	0.78
158_L	163_D	0.727	0.78
255_T	258_L	0.722	0.78
189_A	208_C	0.721	0.78
228_G	254_A	0.721	0.78
393_M	402_E	0.721	0.78
268_E	286_D	0.718	0.77
145_A	209_Y	0.718	0.77
393_M	398_E	0.715	0.77
186_I	206_F	0.715	0.77
79_L	83_E	0.711	0.77
311_F	333_K	0.711	0.77
341_L	350_R	0.709	0.76
395_Q	399_Q	0.706	0.76
183_A	317_A	0.703	0.76
152_P	373_A	0.700	0.76
216_S	219_D	0.698	0.75
356_I	359_I	0.694	0.75
98_D	105_Q	0.694	0.75
311_F	336_D	0.694	0.75
190_T	208_C	0.693	0.75
229_V	251_Q	0.691	0.75
161_M	375_E	0.688	0.74
161_M	374_A	0.686	0.74
355_A	359_I	0.685	0.74
101_A	160_W	0.679	0.73
142_E	239_N	0.679	0.73
189_A	206_F	0.678	0.73
151_L	173_E	0.676	0.73
89_R	359_I	0.676	0.73
327_S	331_A	0.676	0.73
209_Y	284_A	0.675	0.73
74_A	77_P	0.675	0.73
312_G	320_P	0.675	0.73
88_Y	359_I	0.673	0.73
179_A	188_H	0.672	0.73
374_A	377_T	0.672	0.73
93_L	367_V	0.671	0.72
64_L	278_L	0.671	0.72
244_A	252_Q	0.671	0.72
115_P	313_A	0.670	0.72
159_Y	182_I	0.669	0.72
117_S	312_G	0.668	0.72
267_F	301_P	0.667	0.72
73_G	77_P	0.665	0.72
245_I	316_T	0.662	0.71
128_M	148_V	0.662	0.71
112_T	180_V	0.659	0.71
235_V	302_T	0.659	0.71
357_E	360_E	0.659	0.71
239_N	308_Q	0.658	0.71
398_E	401_L	0.657	0.71
286_D	290_K	0.657	0.71
399_Q	403_Y	0.656	0.71
87_M	278_L	0.653	0.70
164_E	378_P	0.652	0.70
93_L	363_I	0.651	0.70
86_E	89_R	0.650	0.70
93_L	153_L	0.650	0.70
210_F	236_F	0.647	0.70
362_D	365_D	0.647	0.70
125_A	284_A	0.646	0.70
105_Q	317_A	0.646	0.70
117_S	243_W	0.646	0.70
237_F	280_V	0.643	0.69
319_D	322_V	0.643	0.69
85_V	350_R	0.643	0.69
153_L	367_V	0.643	0.69
370_A	373_A	0.639	0.69
140_Y	178_V	0.639	0.69
329_V	333_K	0.638	0.69
112_T	170_P	0.638	0.69
190_T	234_N	0.638	0.69
119_Q	239_N	0.636	0.68
136_I	175_I	0.636	0.68
115_P	312_G	0.636	0.68
96_R	360_E	0.634	0.68
248_P	252_Q	0.632	0.68
64_L	344_F	0.631	0.68
115_P	159_Y	0.629	0.68
63_V	278_L	0.629	0.68
138_P	175_I	0.628	0.67
65_D	71_V	0.627	0.67
133_D	149_R	0.627	0.67
89_R	366_A	0.622	0.67
195_A	234_N	0.622	0.67
228_G	265_Y	0.621	0.67
85_V	89_R	0.619	0.66
182_I	264_A	0.617	0.66
126_S	145_A	0.617	0.66
273_D	340_R	0.617	0.66
184_S	188_H	0.614	0.66
223_G	236_F	0.613	0.66
84_L	344_F	0.613	0.66
396_R	400_Q	0.612	0.65
259_A	271_Q	0.612	0.65
135_W	204_T	0.611	0.65
160_W	167_N	0.611	0.65
142_E	209_Y	0.611	0.65
195_A	264_A	0.609	0.65
221_H	264_A	0.608	0.65
123_Q	144_G	0.608	0.65
255_T	261_K	0.608	0.65
363_I	367_V	0.608	0.65
321_S	326_E	0.607	0.65
220_F	303_L	0.605	0.65
119_Q	222_E	0.603	0.64
100_R	371_I	0.602	0.64
117_S	311_F	0.601	0.64
131_A	285_H	0.601	0.64
243_W	311_F	0.601	0.64
287_A	290_K	0.599	0.64
104_L	161_M	0.599	0.64
70_L	348_T	0.597	0.64
147_L	153_L	0.597	0.64
257_T	271_Q	0.596	0.63
97_F	143_H	0.595	0.63
145_A	207_M	0.594	0.63
102_V	316_T	0.593	0.63
97_F	101_A	0.593	0.63
373_A	376_E	0.593	0.63
358_S	361_A	0.592	0.63
139_S	210_F	0.591	0.63
112_T	167_N	0.588	0.62
344_F	350_R	0.586	0.62
365_D	368_A	0.585	0.62
165_R	180_V	0.582	0.62
127_A	145_A	0.582	0.62
159_Y	315_T	0.581	0.61
258_L	303_L	0.580	0.61
249_R	253_T	0.579	0.61
308_Q	332_W	0.577	0.61
122_A	125_A	0.576	0.61
129_A	288_I	0.573	0.60
70_L	76_V	0.571	0.60
215_T	249_R	0.569	0.60
66_E	69_E	0.568	0.60
67_N	73_G	0.568	0.60
192_M	195_A	0.567	0.60
154_K	377_T	0.567	0.60
131_A	292_K	0.567	0.60
165_R	168_A	0.565	0.59
112_T	159_Y	0.563	0.59
275_M	340_R	0.563	0.59
276_D	340_R	0.562	0.59
270_V	304_I	0.561	0.59
187_P	219_D	0.561	0.59
127_A	144_G	0.561	0.59
116_L	144_G	0.560	0.59
194_W	232_T	0.560	0.59
206_F	234_N	0.558	0.58
160_W	180_V	0.557	0.58
242_Q	250_E	0.556	0.58
121_G	308_Q	0.556	0.58
212_D	291_A	0.556	0.58
181_P	217_E	0.555	0.58
249_R	258_L	0.554	0.58
112_T	177_T	0.552	0.58
116_L	167_N	0.551	0.57
320_P	329_V	0.549	0.57
182_I	215_T	0.545	0.57
183_A	217_E	0.545	0.57
68_G	71_V	0.544	0.56
290_K	293_D	0.544	0.56
138_P	178_V	0.544	0.56
79_L	84_L	0.543	0.56
159_Y	176_F	0.542	0.56
94_A	124_I	0.542	0.56
87_M	125_A	0.540	0.56
226_F	230_Y	0.539	0.56
310_R	318_D	0.537	0.55
215_T	229_V	0.537	0.55
77_P	282_Q	0.537	0.55
166_G	177_T	0.536	0.55
78_D	285_H	0.536	0.55
235_V	304_I	0.534	0.55
216_S	253_T	0.534	0.55
309_Y	329_V	0.533	0.55
82_D	358_S	0.532	0.55
212_D	261_K	0.531	0.55
102_V	117_S	0.531	0.55
60_T	271_Q	0.531	0.55
121_G	125_A	0.531	0.55
208_C	236_F	0.528	0.54
102_V	313_A	0.527	0.54
272_V	304_I	0.527	0.54
137_V	236_F	0.527	0.54
253_T	266_G	0.525	0.54
133_D	174_N	0.524	0.54
242_Q	249_R	0.523	0.54
167_N	181_P	0.522	0.53
168_A	180_V	0.522	0.53
364_E	368_A	0.521	0.53
105_Q	112_T	0.521	0.53
221_H	225_N	0.520	0.53
136_I	209_Y	0.520	0.53
193_G	206_F	0.519	0.53
342_E	353_D	0.519	0.53
124_I	277_P	0.518	0.53
126_S	136_I	0.517	0.53
229_V	252_Q	0.517	0.53
259_A	269_G	0.517	0.53
143_H	178_V	0.516	0.53
75_E	78_D	0.516	0.53
346_V	352_D	0.515	0.52
365_D	372_E	0.514	0.52
221_H	267_F	0.512	0.52
293_D	347_E	0.512	0.52
140_Y	185_Q	0.512	0.52
62_R	335_K	0.511	0.52
393_M	397_L	0.509	0.52
268_E	294_P	0.509	0.52
160_W	178_V	0.509	0.52
65_D	338_I	0.508	0.51
176_F	180_V	0.508	0.51
272_V	280_V	0.507	0.51
114_P	247_V	0.507	0.51
367_V	371_I	0.506	0.51
215_T	247_V	0.505	0.51
373_A	377_T	0.505	0.51
104_L	294_P	0.505	0.51
279_A	283_V	0.505	0.51
122_A	308_Q	0.504	0.51
69_E	343_T	0.504	0.51
225_N	229_V	0.503	0.51
112_T	316_T	0.503	0.51
88_Y	355_A	0.503	0.51
157_L	374_A	0.503	0.51
212_D	249_R	0.502	0.51
63_V	375_E	0.502	0.51
173_E	303_L	0.502	0.51
83_E	277_P	0.501	0.51
380_P	388_N	0.500	0.50

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
2bfdA	2	0.8568	100	0.328	Contact Map
1qs0A	2	0.9308	100	0.37	Contact Map
1umdA	2	0.8401	100	0.378	Contact Map
1w85A	2	0.8687	100	0.381	Contact Map
2ozlA	2	0.8425	100	0.443	Contact Map
2xt6A	2	0.9356	100	0.533	Contact Map
2yicA	2	0.9141	100	0.536	Contact Map
2jgdA	2	0.9045	100	0.549	Contact Map
5c4iC	2	0.5871	100	0.716	Contact Map
3m49A	2	0.7279	100	0.74	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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