Q9HN76 - HALSA - GREMLIN Contacts

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Q9HN76 - Pyruvate dehydrogenase beta subunit

UniProt:	Q9HN76	Sequences: MGEDVGQNGGVFRATEGLYEEFGDDRVIDTPLAESGIIGSAVGMAAYGLKPVPEIQFSGFMYPGFDQVVSHMSRLRTRSRGRFTLPMVLRAPMGGGIRAPEHHSESKEAFYAHEAGLKVAMPSTPYDAKGMLIASIRDPDPVVFLEPKKIYRAFREDVPDDPYEVELGDAAVRTEGEDVSVFTWGAMTQPTVEAAENLDRIDVEVVDLRSLSPIDFDTIIESFKKTGRAAIVHEAPNTGGLGAEITATIQEEALLYQEAPVERITGFDVPFPLAALEDYYLPEPARIAAGIEEAFDF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	297 (263)
Sequences:	13755 (8051)
Seq/√Len:	496.4

ECOLI - DXS TKT1 TKT2
BACSU - ODPB ODBB ACOB DXS TKT
HALSA - Q9HN76
SULSO - Q97Y22 Q97YF5 Q980J2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
199_D	292_E	4.890	1.00
197_N	288_A	3.347	1.00
283_E	286_R	2.903	1.00
179_V	291_I	2.876	1.00
41_A	53_P	2.874	1.00
170_A	218_T	2.721	1.00
174_T	195_A	2.393	1.00
192_V	205_V	2.385	1.00
120_A	131_M	2.214	1.00
195_A	205_V	2.167	1.00
197_N	284_P	2.161	1.00
193_E	284_P	2.144	1.00
174_T	196_E	2.125	1.00
216_F	248_T	2.083	1.00
284_P	288_A	2.075	1.00
177_E	202_D	2.038	1.00
262_E	293_E	2.008	1.00
44_M	49_L	2.002	1.00
50_K	84_T	1.993	1.00
179_V	203_V	1.981	1.00
180_S	226_T	1.971	1.00
278_D	283_E	1.945	1.00
251_E	263_R	1.920	1.00
262_E	290_G	1.912	1.00
190_P	284_P	1.887	1.00
42_V	72_M	1.803	1.00
72_M	87_M	1.802	1.00
178_D	202_D	1.795	1.00
220_I	248_T	1.756	1.00
38_I	72_M	1.750	1.00
243_A	247_A	1.748	1.00
204_E	225_K	1.726	1.00
204_E	222_S	1.717	1.00
178_D	227_G	1.706	1.00
220_I	252_E	1.684	1.00
183_T	191_T	1.664	1.00
197_N	285_A	1.663	1.00
204_E	226_T	1.659	1.00
109_A	235_A	1.658	1.00
191_T	232_V	1.651	1.00
288_A	292_E	1.643	1.00
172_V	204_E	1.642	1.00
237_N	265_T	1.631	1.00
118_K	138_D	1.629	1.00
117_L	143_V	1.626	1.00
275_A	278_D	1.623	1.00
118_K	140_D	1.622	1.00
52_V	136_I	1.593	1.00
175_E	204_E	1.589	1.00
112_A	244_E	1.587	1.00
82_R	116_G	1.587	1.00
86_P	135_S	1.581	1.00
181_V	191_T	1.580	1.00
289_A	293_E	1.553	1.00
135_S	142_V	1.532	1.00
246_T	261_V	1.531	1.00
193_E	196_E	1.525	1.00
216_F	252_E	1.495	1.00
38_I	87_M	1.491	1.00
190_P	193_E	1.487	1.00
290_G	293_E	1.455	1.00
189_Q	193_E	1.449	1.00
112_A	247_A	1.442	1.00
182_F	208_L	1.439	1.00
183_T	188_T	1.425	1.00
170_A	208_L	1.425	1.00
166_E	169_D	1.423	1.00
38_I	53_P	1.421	1.00
133_I	137_R	1.416	1.00
286_R	290_G	1.399	1.00
50_K	86_P	1.395	1.00
111_Y	143_V	1.388	1.00
181_V	291_I	1.361	1.00
84_T	140_D	1.356	1.00
190_P	287_I	1.342	1.00
206_V	218_T	1.340	1.00
165_V	168_G	1.340	1.00
194_A	288_A	1.338	1.00
220_I	224_K	1.323	1.00
171_A	207_D	1.319	1.00
38_I	64_G	1.315	1.00
118_K	210_S	1.311	1.00
278_D	285_A	1.301	1.00
221_E	225_K	1.286	1.00
68_V	117_L	1.267	1.00
127_D	207_D	1.263	1.00
215_D	248_T	1.262	1.00
249_I	261_V	1.259	1.00
180_S	222_S	1.252	1.00
230_A	294_A	1.250	1.00
123_S	188_T	1.241	1.00
120_A	210_S	1.237	1.00
127_D	209_R	1.221	1.00
254_L	259_A	1.219	1.00
172_V	175_E	1.214	1.00
206_V	222_S	1.207	1.00
84_T	139_P	1.206	1.00
17_G	20_E	1.200	1.00
246_T	250_Q	1.195	1.00
214_I	219_I	1.195	1.00
208_L	241_L	1.191	1.00
120_A	142_V	1.176	1.00
221_E	226_T	1.175	1.00
233_H	242_G	1.174	1.00
134_A	167_L	1.174	1.00
68_V	89_L	1.167	1.00
123_S	207_D	1.159	1.00
90_R	146_E	1.138	1.00
220_I	253_A	1.124	1.00
89_L	143_V	1.123	1.00
65_F	110_F	1.121	1.00
217_D	221_E	1.118	1.00
109_A	113_H	1.112	1.00
173_R	188_T	1.111	1.00
231_I	234_E	1.109	1.00
262_E	294_A	1.101	1.00
230_A	291_I	1.094	1.00
45_A	51_P	1.093	1.00
59_G	107_K	1.089	1.00
246_T	263_R	1.088	1.00
286_R	289_A	1.077	1.00
170_A	206_V	1.075	1.00
125_P	153_A	1.074	1.00
272_P	279_Y	1.066	1.00
216_F	220_I	1.065	1.00
72_M	85_L	1.065	1.00
241_L	245_I	1.061	1.00
172_V	218_T	1.057	1.00
232_V	287_I	1.053	1.00
17_G	21_E	1.050	1.00
181_V	203_V	1.047	1.00
229_A	249_I	1.047	1.00
182_F	229_A	1.047	1.00
187_M	190_P	1.045	1.00
203_V	291_I	1.039	1.00
35_S	67_Q	1.039	1.00
108_E	184_W	1.038	1.00
212_S	268_D	1.037	1.00
223_F	249_I	1.034	1.00
230_A	233_H	1.028	1.00
169_D	217_D	1.024	1.00
247_A	263_R	1.020	1.00
172_V	206_V	1.019	1.00
108_E	145_L	1.007	1.00
218_T	222_S	1.007	1.00
41_A	85_L	1.007	1.00
266_G	280_Y	1.002	1.00
58_S	145_L	1.002	1.00
180_S	206_V	0.996	1.00
242_G	263_R	0.993	1.00
180_S	204_E	0.991	1.00
194_A	287_I	0.989	1.00
30_T	40_S	0.989	1.00
37_I	53_P	0.987	1.00
118_K	142_V	0.984	1.00
248_T	252_E	0.979	1.00
184_W	211_L	0.962	1.00
118_K	213_P	0.961	1.00
275_A	279_Y	0.960	1.00
82_R	140_D	0.955	1.00
231_I	242_G	0.947	1.00
228_R	294_A	0.942	1.00
269_V	279_Y	0.938	1.00
250_Q	261_V	0.937	1.00
123_S	171_A	0.937	1.00
285_A	289_A	0.934	1.00
105_E	266_G	0.933	1.00
230_A	264_I	0.932	1.00
242_G	265_T	0.930	1.00
50_K	139_P	0.929	1.00
174_T	202_D	0.927	1.00
281_L	286_R	0.911	1.00
191_T	205_V	0.909	1.00
238_T	268_D	0.907	1.00
74_R	100_P	0.906	1.00
120_A	167_L	0.905	1.00
134_A	166_E	0.900	1.00
132_L	144_F	0.899	1.00
178_D	201_I	0.897	1.00
133_I	162_P	0.887	1.00
137_R	162_P	0.887	1.00
198_L	291_I	0.887	1.00
152_R	189_Q	0.886	1.00
73_S	114_E	0.885	1.00
201_I	292_E	0.884	1.00
208_L	211_L	0.881	1.00
22_F	26_R	0.872	1.00
36_G	40_S	0.867	1.00
18_L	27_V	0.866	1.00
228_R	260_P	0.863	1.00
254_L	293_E	0.861	1.00
176_G	202_D	0.860	1.00
291_I	294_A	0.859	1.00
109_A	239_G	0.859	1.00
222_S	225_K	0.858	1.00
61_M	111_Y	0.856	1.00
221_E	224_K	0.855	1.00
58_S	111_Y	0.851	1.00
128_A	146_E	0.850	1.00
68_V	111_Y	0.848	1.00
61_M	91_A	0.838	1.00
86_P	142_V	0.836	1.00
198_L	288_A	0.835	1.00
95_G	277_E	0.834	1.00
130_G	133_I	0.829	1.00
41_A	54_E	0.828	1.00
117_L	141_P	0.827	1.00
190_P	277_E	0.825	1.00
121_M	184_W	0.824	1.00
190_P	283_E	0.822	1.00
214_I	248_T	0.818	1.00
134_A	137_R	0.818	1.00
118_K	212_S	0.816	1.00
72_M	141_P	0.816	1.00
230_A	234_E	0.808	1.00
40_S	44_M	0.807	1.00
147_P	151_Y	0.807	1.00
108_E	235_A	0.807	1.00
45_A	85_L	0.804	1.00
38_I	89_L	0.800	1.00
199_D	288_A	0.799	1.00
276_L	280_Y	0.799	1.00
112_A	211_L	0.799	1.00
19_Y	27_V	0.787	1.00
158_V	161_D	0.786	1.00
229_A	233_H	0.779	1.00
222_S	226_T	0.777	1.00
227_G	230_A	0.772	1.00
290_G	294_A	0.770	1.00
118_K	167_L	0.767	1.00
289_A	292_E	0.767	1.00
107_K	145_L	0.766	1.00
219_I	223_F	0.763	1.00
193_E	197_N	0.763	1.00
183_T	187_M	0.756	1.00
126_Y	159_P	0.754	1.00
94_G	276_L	0.753	1.00
179_V	230_A	0.751	1.00
112_A	239_G	0.750	1.00
174_T	192_V	0.750	1.00
68_V	87_M	0.746	1.00
110_F	114_E	0.746	1.00
219_I	248_T	0.745	1.00
182_F	206_V	0.744	1.00
254_L	290_G	0.744	1.00
219_I	249_I	0.742	1.00
211_L	215_D	0.740	1.00
273_L	277_E	0.739	1.00
278_D	286_R	0.739	1.00
73_S	117_L	0.739	1.00
39_G	67_Q	0.735	1.00
244_E	247_A	0.729	1.00
215_D	247_A	0.727	1.00
19_Y	22_F	0.720	1.00
50_K	136_I	0.718	1.00
18_L	22_F	0.717	1.00
220_I	254_L	0.715	1.00
134_A	164_E	0.714	1.00
219_I	224_K	0.711	1.00
61_M	89_L	0.699	1.00
233_H	240_G	0.698	1.00
238_T	263_R	0.695	1.00
45_A	83_F	0.691	1.00
124_T	173_R	0.688	1.00
130_G	164_E	0.687	1.00
53_P	87_M	0.683	1.00
46_A	83_F	0.683	1.00
173_R	192_V	0.681	1.00
131_M	209_R	0.680	1.00
52_V	132_L	0.678	1.00
250_Q	253_A	0.676	1.00
237_N	251_E	0.676	1.00
230_A	262_E	0.671	1.00
62_Y	65_F	0.670	1.00
237_N	263_R	0.669	1.00
120_A	135_S	0.665	1.00
73_S	270_P	0.665	1.00
28_I	40_S	0.665	1.00
126_Y	130_G	0.664	1.00
119_V	143_V	0.662	1.00
65_F	113_H	0.661	1.00
108_E	119_V	0.659	1.00
184_W	208_L	0.657	1.00
194_A	232_V	0.656	1.00
223_F	229_A	0.654	1.00
172_V	221_E	0.652	1.00
66_D	70_S	0.645	1.00
228_R	231_I	0.643	1.00
120_A	134_A	0.643	1.00
267_F	280_Y	0.642	1.00
100_P	103_H	0.639	1.00
269_V	280_Y	0.639	1.00
129_K	133_I	0.639	1.00
69_V	114_E	0.638	1.00
58_S	107_K	0.638	1.00
232_V	261_V	0.635	1.00
133_I	164_E	0.633	1.00
33_A	36_G	0.630	1.00
44_M	51_P	0.629	1.00
126_Y	153_A	0.627	1.00
264_I	290_G	0.626	1.00
118_K	168_G	0.626	1.00
244_E	248_T	0.626	1.00
130_G	134_A	0.624	1.00
62_Y	107_K	0.624	1.00
178_D	203_V	0.621	1.00
194_A	291_I	0.619	1.00
220_I	223_F	0.617	1.00
114_E	117_L	0.616	1.00
165_V	169_D	0.614	1.00
277_E	282_P	0.614	1.00
135_S	144_F	0.613	0.99
75_L	83_F	0.611	0.99
267_F	286_R	0.610	0.99
138_D	142_V	0.610	0.99
130_G	162_P	0.608	0.99
86_P	132_L	0.606	0.99
264_I	282_P	0.605	0.99
175_E	225_K	0.601	0.99
105_E	236_P	0.600	0.99
210_S	213_P	0.596	0.99
194_A	284_P	0.594	0.99
231_I	261_V	0.594	0.99
18_L	23_G	0.594	0.99
186_A	190_P	0.591	0.99
239_G	243_A	0.591	0.99
86_P	144_F	0.590	0.99
188_T	205_V	0.588	0.99
169_D	215_D	0.586	0.99
163_Y	166_E	0.584	0.99
187_M	232_V	0.583	0.99
46_A	75_L	0.581	0.99
147_P	186_A	0.581	0.99
152_R	193_E	0.581	0.99
231_I	245_I	0.577	0.99
271_F	280_Y	0.575	0.99
180_S	229_A	0.573	0.99
175_E	221_E	0.573	0.99
82_R	139_P	0.572	0.99
191_T	233_H	0.569	0.99
57_F	91_A	0.568	0.99
121_M	185_G	0.567	0.99
30_T	37_I	0.567	0.99
198_L	203_V	0.566	0.99
219_I	222_S	0.566	0.99
282_P	286_R	0.564	0.99
123_S	127_D	0.563	0.99
88_V	135_S	0.561	0.99
168_G	210_S	0.561	0.99
64_G	68_V	0.559	0.99
195_A	203_V	0.557	0.99
112_A	241_L	0.556	0.99
91_A	98_R	0.554	0.99
112_A	119_V	0.553	0.99
244_E	263_R	0.552	0.99
57_F	90_R	0.551	0.99
183_T	208_L	0.550	0.99
137_R	164_E	0.550	0.99
69_V	106_S	0.546	0.99
162_P	165_V	0.546	0.99
126_Y	163_Y	0.545	0.99
285_A	288_A	0.545	0.99
94_G	277_E	0.545	0.99
62_Y	110_F	0.545	0.99
164_E	167_L	0.542	0.99
55_I	91_A	0.539	0.99
138_D	167_L	0.535	0.99
38_I	55_I	0.533	0.99
118_K	216_F	0.532	0.99
211_L	241_L	0.532	0.99
55_I	89_L	0.531	0.99
216_F	251_E	0.530	0.99
121_M	186_A	0.529	0.99
41_A	51_P	0.529	0.99
59_G	105_E	0.527	0.98
243_A	263_R	0.527	0.98
131_M	165_V	0.526	0.98
242_G	246_T	0.526	0.98
35_S	66_D	0.523	0.98
281_L	290_G	0.521	0.98
94_G	266_G	0.521	0.98
170_A	215_D	0.511	0.98
175_E	202_D	0.510	0.98
157_D	160_D	0.509	0.98
125_P	151_Y	0.505	0.98
130_G	165_V	0.505	0.98
95_G	281_L	0.505	0.98
130_G	163_Y	0.504	0.98
179_V	228_R	0.504	0.98
95_G	149_K	0.504	0.98
35_S	63_P	0.504	0.98
184_W	241_L	0.503	0.98
140_D	216_F	0.501	0.98
172_V	222_S	0.500	0.98

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
1ik6A	3	0.8485	100	0.23	Contact Map
1w85B	2	0.9899	100	0.237	Contact Map
1umdB	2	0.9865	100	0.245	Contact Map
1qs0B	2	0.9899	100	0.257	Contact Map
2o1xA	2	0.9327	100	0.27	Contact Map
2ozlB	2	0.9933	100	0.275	Contact Map
2bfdB	2	0.9865	100	0.277	Contact Map
2o1sA	2	0.9293	100	0.293	Contact Map
4kxvA	2	0.9259	100	0.299	Contact Map
1r9jA	2	0.9024	100	0.341	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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