Q9HRI4 - HALSA - GREMLIN Contacts

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Q9HRI4 - 3-hydroxyacyl-CoA dehydrogenase

UniProt:	Q9HRI4	Sequences: MRSLADTETIGVVGAGTMGAGIAQVAATAGYTVVMRDIEQEYVDAGFDSIESSLDRFVSNDDLSEADADAIVDRITGTTDLAELADCDVVIEAAVEDMEIKQDIFRDLDDALPEDVVLATNTSTLSITTIASVTDRASRVVGLHFMNPVPIMTGVEVVVGEKTDADVVAFAHALAEDLDKETWESDDKPGFVTNRILMPWINEGVRAFDEGVASKDDIDTGMKLGTNVPMGPLELADHIGLDVCLDASETLHEELGDRYKPAYLLQRKVDAGDLGKKTGAGFYTYD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	286 (279)
Sequences:	8949 (5413)
Seq/√Len:	324.0

ECOLI - PAAH FADB FADJ
BACSU - HBD FADN
HALSA - Q9HRI4 Q9HQ61
SULSO - Q97UK9 Q97UX0 Q7LXQ8 Q97VU5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
103_D	107_D	3.177	1.00
273_D	280_A	2.904	1.00
40_Q	44_D	2.739	1.00
223_K	234_E	2.683	1.00
11_G	84_L	2.495	1.00
94_A	104_I	2.464	1.00
80_D	83_E	2.427	1.00
280_A	284_T	2.426	1.00
214_S	217_D	2.336	1.00
9_T	32_T	2.284	1.00
95_V	100_I	2.250	1.00
109_D	135_D	2.217	1.00
138_S	164_D	2.204	1.00
141_V	171_A	2.186	1.00
172_H	184_E	2.177	1.00
165_A	169_A	2.159	1.00
27_A	75_I	2.154	1.00
10_I	26_A	2.122	1.00
65_E	69_D	2.100	1.00
136_R	139_R	2.082	1.00
249_E	266_Q	2.037	1.00
47_F	77_G	2.025	1.00
109_D	134_T	2.017	1.00
11_G	87_C	2.009	1.00
155_V	175_A	1.981	1.00
208_F	218_I	1.950	1.00
9_T	86_D	1.921	1.00
98_M	129_T	1.901	1.00
88_D	113_P	1.896	1.00
268_K	273_D	1.893	1.00
94_A	100_I	1.882	1.00
274_L	278_T	1.873	1.00
164_D	167_V	1.859	1.00
26_A	174_L	1.856	1.00
102_Q	133_V	1.847	1.00
58_V	68_A	1.805	1.00
159_V	165_A	1.798	1.00
157_V	172_H	1.787	1.00
107_D	110_D	1.778	1.00
90_V	112_L	1.759	1.00
172_H	176_E	1.733	1.00
9_T	34_V	1.694	1.00
55_D	59_S	1.691	1.00
267_R	271_A	1.683	1.00
115_D	139_R	1.670	1.00
43_V	77_G	1.648	1.00
31_Y	177_D	1.642	1.00
143_L	175_A	1.639	1.00
26_A	178_L	1.638	1.00
120_T	127_I	1.633	1.00
51_E	72_V	1.614	1.00
32_T	74_R	1.605	1.00
112_L	116_V	1.593	1.00
137_A	162_K	1.585	1.00
70_A	74_R	1.565	1.00
143_L	171_A	1.556	1.00
78_T	83_E	1.553	1.00
51_E	55_D	1.528	1.00
242_D	277_K	1.527	1.00
17_T	243_V	1.527	1.00
64_S	67_D	1.518	1.00
47_F	51_E	1.512	1.00
10_I	31_Y	1.505	1.00
67_D	70_A	1.504	1.00
15_A	35_M	1.495	1.00
159_V	168_V	1.492	1.00
181_E	220_T	1.485	1.00
168_V	184_E	1.470	1.00
128_T	161_E	1.466	1.00
213_A	218_I	1.460	1.00
89_V	171_A	1.440	1.00
106_R	133_V	1.437	1.00
105_F	118_L	1.423	1.00
24_Q	53_S	1.413	1.00
245_L	266_Q	1.407	1.00
20_A	49_S	1.401	1.00
55_D	68_A	1.396	1.00
15_A	37_D	1.384	1.00
236_A	244_C	1.384	1.00
39_E	42_Y	1.382	1.00
99_E	102_Q	1.373	1.00
34_V	78_T	1.372	1.00
98_M	125_L	1.365	1.00
44_D	48_D	1.363	1.00
99_E	103_D	1.356	1.00
134_T	140_V	1.345	1.00
112_L	118_L	1.344	1.00
173_A	177_D	1.341	1.00
185_S	192_V	1.338	1.00
103_D	106_R	1.337	1.00
24_Q	28_T	1.334	1.00
245_L	249_E	1.318	1.00
48_D	52_S	1.315	1.00
173_A	176_E	1.313	1.00
169_A	173_A	1.306	1.00
69_D	73_D	1.305	1.00
110_D	135_D	1.303	1.00
36_R	81_L	1.296	1.00
128_T	187_D	1.283	1.00
32_T	76_T	1.278	1.00
28_T	71_I	1.278	1.00
40_Q	79_T	1.268	1.00
82_A	107_D	1.258	1.00
266_Q	270_D	1.252	1.00
208_F	215_K	1.251	1.00
54_L	71_I	1.248	1.00
113_P	116_V	1.243	1.00
175_A	182_T	1.240	1.00
129_T	132_S	1.233	1.00
23_A	35_M	1.231	1.00
105_F	108_L	1.225	1.00
34_V	76_T	1.215	1.00
98_M	102_Q	1.215	1.00
89_V	174_L	1.206	1.00
160_G	163_T	1.204	1.00
106_R	110_D	1.201	1.00
263_Y	267_R	1.200	1.00
102_Q	106_R	1.196	1.00
65_E	68_A	1.195	1.00
245_L	269_V	1.192	1.00
82_A	111_A	1.178	1.00
130_I	140_V	1.167	1.00
58_V	63_L	1.159	1.00
68_A	72_V	1.156	1.00
42_Y	45_A	1.154	1.00
117_V	167_V	1.151	1.00
249_E	253_E	1.148	1.00
41_E	44_D	1.127	1.00
100_I	103_D	1.123	1.00
109_D	136_R	1.121	1.00
43_V	79_T	1.119	1.00
86_D	113_P	1.117	1.00
45_A	49_S	1.114	1.00
141_V	167_V	1.113	1.00
207_A	212_V	1.107	1.00
209_D	262_A	1.104	1.00
119_A	141_V	1.096	1.00
142_G	158_V	1.083	1.00
15_A	46_G	1.080	1.00
127_I	142_G	1.076	1.00
44_D	47_F	1.074	1.00
183_W	221_G	1.071	1.00
105_F	130_I	1.063	1.00
206_R	210_E	1.056	1.00
107_D	111_A	1.046	1.00
36_R	78_T	1.028	1.00
222_M	226_T	1.023	1.00
81_L	111_A	1.013	1.00
13_V	104_I	1.008	1.00
10_I	89_V	1.007	1.00
88_D	115_D	1.004	1.00
128_T	160_G	1.003	1.00
26_A	91_I	1.003	1.00
7_T	170_F	1.001	1.00
51_E	68_A	1.000	1.00
89_V	143_L	1.000	1.00
76_T	83_E	0.999	1.00
35_M	46_G	0.998	1.00
176_E	182_T	0.991	1.00
66_A	70_A	0.984	1.00
56_R	59_S	0.973	1.00
126_S	129_T	0.969	1.00
215_K	233_L	0.967	1.00
205_V	282_F	0.964	1.00
167_V	170_F	0.960	1.00
222_M	232_P	0.957	1.00
36_R	107_D	0.954	1.00
81_L	107_D	0.953	1.00
119_A	143_L	0.945	1.00
49_S	52_S	0.943	1.00
48_D	51_E	0.936	1.00
162_K	273_D	0.929	1.00
124_T	247_A	0.926	1.00
51_E	69_D	0.926	1.00
200_W	228_V	0.925	1.00
13_V	108_L	0.923	1.00
159_V	184_E	0.917	1.00
54_L	68_A	0.915	1.00
141_V	157_V	0.907	1.00
120_T	142_G	0.892	1.00
120_T	130_I	0.890	1.00
138_S	162_K	0.890	1.00
274_L	277_K	0.882	1.00
34_V	86_D	0.879	1.00
43_V	47_F	0.875	1.00
89_V	119_A	0.873	1.00
166_D	170_F	0.870	1.00
102_Q	130_I	0.866	1.00
37_D	42_Y	0.862	1.00
193_T	221_G	0.862	1.00
49_S	53_S	0.860	1.00
27_A	71_I	0.858	1.00
35_M	77_G	0.857	1.00
13_V	36_R	0.851	1.00
55_D	58_V	0.847	1.00
97_D	246_D	0.845	1.00
153_T	181_E	0.843	1.00
234_E	238_H	0.840	1.00
98_M	130_I	0.839	1.00
229_P	235_L	0.829	1.00
82_A	85_A	0.825	1.00
114_E	135_D	0.823	1.00
207_A	218_I	0.822	1.00
131_A	140_V	0.821	1.00
11_G	34_V	0.819	1.00
108_L	112_L	0.816	1.00
196_I	200_W	0.815	1.00
202_N	262_A	0.813	1.00
31_Y	174_L	0.810	1.00
53_S	57_F	0.810	1.00
7_T	10_I	0.808	1.00
169_A	172_H	0.807	1.00
117_V	141_V	0.805	1.00
264_L	282_F	0.803	1.00
220_T	223_K	0.802	1.00
84_L	87_C	0.801	1.00
100_I	104_I	0.800	1.00
71_I	74_R	0.798	1.00
206_R	209_D	0.794	1.00
25_V	29_A	0.791	1.00
171_A	175_A	0.787	1.00
20_A	46_G	0.786	1.00
203_E	210_E	0.786	1.00
145_F	178_L	0.783	1.00
8_E	88_D	0.782	1.00
81_L	84_L	0.774	1.00
24_Q	150_P	0.772	1.00
125_L	129_T	0.771	1.00
105_F	134_T	0.768	1.00
201_I	236_A	0.766	1.00
181_E	224_L	0.764	1.00
7_T	88_D	0.761	0.99
67_D	74_R	0.761	0.99
236_A	241_L	0.759	0.99
252_H	256_G	0.758	0.99
25_V	178_L	0.757	0.99
12_V	23_A	0.757	0.99
206_R	262_A	0.757	0.99
57_F	151_I	0.756	0.99
9_T	87_C	0.755	0.99
38_I	42_Y	0.752	0.99
34_V	83_E	0.750	0.99
146_M	193_T	0.747	0.99
241_L	244_C	0.746	0.99
249_E	261_P	0.744	0.99
57_F	63_L	0.743	0.99
154_G	183_W	0.743	0.99
68_A	71_I	0.741	0.99
172_H	182_T	0.738	0.99
272_G	278_T	0.737	0.99
89_V	117_V	0.737	0.99
183_W	192_V	0.733	0.99
230_M	238_H	0.730	0.99
102_Q	132_S	0.729	0.99
169_A	184_E	0.729	0.99
139_R	164_D	0.727	0.99
241_L	269_V	0.725	0.99
163_T	167_V	0.718	0.99
143_L	174_L	0.716	0.99
143_L	157_V	0.715	0.99
122_T	142_G	0.715	0.99
193_T	226_T	0.714	0.99
102_Q	129_T	0.713	0.99
174_L	178_L	0.711	0.99
198_M	244_C	0.708	0.99
97_D	100_I	0.708	0.99
215_K	283_Y	0.708	0.99
10_I	174_L	0.704	0.99
21_G	150_P	0.701	0.99
52_S	55_D	0.700	0.99
97_D	103_D	0.699	0.99
38_I	95_V	0.696	0.99
50_I	75_I	0.694	0.99
25_V	180_K	0.694	0.99
55_D	65_E	0.693	0.99
217_D	220_T	0.693	0.99
34_V	87_C	0.693	0.99
168_V	172_H	0.690	0.99
157_V	182_T	0.690	0.99
20_A	45_A	0.689	0.99
29_A	179_D	0.687	0.99
57_F	62_D	0.687	0.99
245_L	270_D	0.686	0.99
109_D	140_V	0.685	0.99
81_L	104_I	0.680	0.99
80_D	107_D	0.680	0.99
46_G	50_I	0.678	0.99
165_A	184_E	0.676	0.99
230_M	234_E	0.676	0.99
146_M	154_G	0.676	0.99
216_D	220_T	0.675	0.99
239_I	244_C	0.674	0.99
204_G	233_L	0.668	0.99
195_R	203_E	0.668	0.99
79_T	83_E	0.666	0.99
246_D	250_T	0.663	0.99
126_S	187_D	0.662	0.99
18_M	121_N	0.662	0.99
7_T	117_V	0.662	0.99
7_T	31_Y	0.660	0.99
202_N	206_R	0.659	0.99
18_M	22_I	0.657	0.99
243_V	247_A	0.656	0.99
166_D	169_A	0.656	0.99
220_T	224_L	0.654	0.98
90_V	108_L	0.652	0.98
170_F	177_D	0.651	0.98
267_R	270_D	0.649	0.98
13_V	84_L	0.648	0.98
208_F	233_L	0.645	0.98
197_L	201_I	0.645	0.98
41_E	45_A	0.642	0.98
67_D	71_I	0.642	0.98
154_G	221_G	0.639	0.98
269_V	274_L	0.637	0.98
131_A	160_G	0.637	0.98
70_A	73_D	0.636	0.98
253_E	256_G	0.631	0.98
238_H	276_K	0.629	0.98
132_S	162_K	0.627	0.98
28_T	57_F	0.627	0.98
46_G	77_G	0.626	0.98
205_V	236_A	0.624	0.98
221_G	226_T	0.624	0.98
157_V	175_A	0.624	0.98
50_I	53_S	0.619	0.98
199_P	202_N	0.619	0.98
127_I	187_D	0.617	0.98
273_D	278_T	0.612	0.98
36_R	84_L	0.612	0.98
58_V	65_E	0.611	0.98
209_D	263_Y	0.609	0.98
198_M	201_I	0.609	0.98
147_N	239_I	0.609	0.98
205_V	264_L	0.608	0.98
142_G	187_D	0.605	0.97
22_I	93_A	0.604	0.97
57_F	60_N	0.604	0.97
264_L	268_K	0.602	0.97
58_V	61_D	0.599	0.97
25_V	149_V	0.598	0.97
17_T	147_N	0.594	0.97
233_L	282_F	0.589	0.97
38_I	94_A	0.588	0.97
201_I	244_C	0.586	0.97
8_E	177_D	0.586	0.97
209_D	264_L	0.585	0.97
114_E	136_R	0.585	0.97
11_G	36_R	0.584	0.97
110_D	113_P	0.580	0.97
170_F	173_A	0.579	0.97
123_S	194_N	0.578	0.97
208_F	264_L	0.574	0.97
206_R	260_K	0.572	0.96
249_E	252_H	0.571	0.96
134_T	137_A	0.570	0.96
235_L	239_I	0.568	0.96
15_A	23_A	0.567	0.96
147_N	235_L	0.566	0.96
45_A	48_D	0.566	0.96
108_L	111_A	0.566	0.96
117_V	170_F	0.566	0.96
263_Y	266_Q	0.565	0.96
197_L	239_I	0.565	0.96
213_A	217_D	0.565	0.96
276_K	285_Y	0.563	0.96
119_A	171_A	0.562	0.96
118_L	140_V	0.561	0.96
242_D	274_L	0.557	0.96
113_P	139_R	0.555	0.96
200_W	222_M	0.554	0.96
11_G	90_V	0.553	0.96
252_H	260_K	0.552	0.96
158_V	191_F	0.551	0.96
37_D	43_V	0.551	0.96
202_N	248_S	0.551	0.96
252_H	261_P	0.550	0.96
194_N	199_P	0.548	0.96
246_D	249_E	0.546	0.95
24_Q	57_F	0.545	0.95
82_A	110_D	0.542	0.95
241_L	268_K	0.535	0.95
174_L	177_D	0.534	0.95
176_E	181_E	0.532	0.95
39_E	45_A	0.531	0.95
7_T	89_V	0.530	0.95
59_S	65_E	0.526	0.94
26_A	31_Y	0.525	0.94
118_L	136_R	0.524	0.94
50_I	77_G	0.524	0.94
9_T	88_D	0.524	0.94
108_L	118_L	0.523	0.94
201_I	205_V	0.522	0.94
69_D	72_V	0.519	0.94
217_D	225_G	0.519	0.94
97_D	102_Q	0.519	0.94
118_L	134_T	0.519	0.94
10_I	91_I	0.518	0.94
8_E	31_Y	0.518	0.94
55_D	72_V	0.518	0.94
105_F	140_V	0.516	0.94
53_S	56_R	0.516	0.94
250_T	253_E	0.515	0.94
175_A	178_L	0.515	0.94
240_G	277_K	0.514	0.94
66_A	69_D	0.514	0.94
151_I	229_P	0.510	0.93
11_G	78_T	0.510	0.93
84_L	108_L	0.509	0.93
197_L	229_P	0.508	0.93
139_R	166_D	0.507	0.93
25_V	150_P	0.505	0.93
137_A	160_G	0.505	0.93
240_G	243_V	0.503	0.93
189_P	250_T	0.503	0.93
28_T	54_L	0.501	0.93
193_T	199_P	0.500	0.93
192_V	213_A	0.500	0.93

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
1wdkA	2	0.993	100	0.229	Contact Map
2wtbA	1	0.9301	100	0.238	Contact Map
4b3hA	1	0.993	100	0.243	Contact Map
3zwcA	1	0.986	100	0.257	Contact Map
3k6jA	1	0.9615	100	0.265	Contact Map
1zcjA	1	0.986	100	0.267	Contact Map
4j0eA	2	0.9965	100	0.274	Contact Map
1f0yA	2	0.9895	100	0.291	Contact Map
4r1nA	2	0.979	100	0.298	Contact Map
3mogA	3	0.986	100	0.32	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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