Q9HNM6 - HALSA - GREMLIN Contacts

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Q9HNM6 - Enoyl-CoA hydratase

UniProt:	Q9HNM6	Sequences: MNAIADADAVVVAGVDGPARGGGVELALACDVRVCTPAASFAETGVTLGLFGAWGGTRRLRQAVGTTHAADLSLSGRTVDAADARAMGLVSRIVEDPRAVADEIAANDPDALRELQALLGQNGSQAATDEREAAAFGRLHAEPR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	144 (132)
Sequences:	23242 (14310)
Seq/√Len:	1245.5

ECOLI - FADB PAAG SCPB CAID MENB FADJ PAAF
BACSU - PKSI MENB FADB YHAR PKSH YNGF
HALSA - Q9HNM6 Q9HS32 Q9HQN4 Q9HQ61
SULSO - Q7LXQ1 Q97YL2 Q97WU7 Q97VK0 Q97VK1 Q97VS6 Q980Z9 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
40_S	78_T	3.341	1.00
35_C	90_V	3.289	1.00
37_P	95_E	2.878	1.00
13_A	30_C	2.774	1.00
38_A	96_D	2.379	1.00
68_H	87_M	2.260	1.00
77_R	103_E	2.199	1.00
83_D	86_A	2.151	1.00
47_T	107_N	2.102	1.00
66_T	70_A	2.038	1.00
70_A	120_G	2.027	1.00
71_D	77_R	2.027	1.00
33_R	67_T	1.985	1.00
126_A	129_D	1.967	1.00
80_D	83_D	1.928	1.00
73_S	115_L	1.921	1.00
20_R	42_A	1.869	1.00
34_V	94_V	1.853	1.00
35_C	41_F	1.830	1.00
83_D	87_M	1.793	1.00
34_V	100_V	1.718	1.00
70_A	74_L	1.712	1.00
71_D	91_S	1.708	1.00
37_P	82_A	1.695	1.00
71_D	92_R	1.689	1.00
18_P	40_S	1.623	1.00
5_A	59_R	1.587	1.00
24_V	43_E	1.586	1.00
15_V	27_A	1.583	1.00
16_D	36_T	1.578	1.00
85_R	93_I	1.537	1.00
37_P	96_D	1.529	1.00
67_T	91_S	1.519	1.00
16_D	38_A	1.517	1.00
36_T	96_D	1.500	1.00
33_R	63_A	1.482	1.00
72_L	79_V	1.477	1.00
82_A	86_A	1.475	1.00
107_N	112_L	1.461	1.00
4_I	11_V	1.441	1.00
31_D	116_Q	1.437	1.00
125_Q	129_D	1.378	1.00
27_A	33_R	1.357	1.00
70_A	119_L	1.344	1.00
68_H	83_D	1.336	1.00
42_A	78_T	1.325	1.00
68_H	71_D	1.289	1.00
15_V	19_A	1.282	1.00
66_T	123_G	1.231	1.00
81_A	93_I	1.229	1.00
25_E	56_G	1.224	1.00
117_A	121_Q	1.172	1.00
79_V	87_M	1.168	1.00
36_T	97_P	1.161	1.00
11_V	30_C	1.140	1.00
101_A	105_A	1.127	1.00
121_Q	125_Q	1.114	1.00
77_R	83_D	1.086	1.00
20_R	78_T	1.084	1.00
72_L	87_M	1.052	1.00
65_G	68_H	1.034	1.00
109_P	113_R	1.032	1.00
114_E	117_A	1.032	1.00
40_S	80_D	1.027	1.00
46_V	76_G	1.026	1.00
130_E	133_A	1.006	1.00
8_D	113_R	1.005	1.00
64_V	68_H	1.001	1.00
24_V	41_F	0.995	1.00
82_A	85_R	0.993	1.00
63_A	67_T	0.990	1.00
6_D	128_T	0.984	1.00
95_E	98_R	0.984	1.00
130_E	134_A	0.982	1.00
66_T	120_G	0.973	1.00
85_R	92_R	0.948	1.00
15_V	41_F	0.941	1.00
37_P	93_I	0.934	1.00
73_S	119_L	0.933	1.00
34_V	92_R	0.928	1.00
7_A	11_V	0.921	1.00
92_R	100_V	0.916	1.00
47_T	78_T	0.915	1.00
71_D	75_S	0.889	1.00
103_E	107_N	0.882	1.00
46_V	115_L	0.880	1.00
25_E	45_G	0.879	1.00
71_D	100_V	0.870	1.00
60_L	64_V	0.856	1.00
85_R	90_V	0.825	1.00
100_V	103_E	0.825	1.00
32_V	100_V	0.824	1.00
68_H	85_R	0.820	1.00
58_R	61_R	0.819	1.00
18_P	78_T	0.811	1.00
32_V	91_S	0.811	1.00
75_S	103_E	0.810	1.00
81_A	90_V	0.800	1.00
15_V	33_R	0.786	1.00
84_A	89_L	0.781	1.00
58_R	62_Q	0.776	1.00
43_E	56_G	0.772	1.00
28_L	89_L	0.770	1.00
14_G	101_A	0.769	1.00
75_S	100_V	0.757	1.00
51_F	118_L	0.755	1.00
16_D	96_D	0.753	1.00
52_G	115_L	0.746	1.00
46_V	112_L	0.742	1.00
41_F	90_V	0.738	1.00
16_D	97_P	0.731	1.00
99_A	102_D	0.730	1.00
15_V	39_A	0.721	1.00
115_L	118_L	0.719	1.00
8_D	117_A	0.716	1.00
79_V	84_A	0.708	1.00
104_I	112_L	0.706	1.00
3_A	7_A	0.705	1.00
103_E	106_A	0.704	1.00
99_A	103_E	0.704	1.00
71_D	83_D	0.700	1.00
109_P	112_L	0.699	1.00
20_R	44_T	0.697	1.00
45_G	52_G	0.687	1.00
64_V	72_L	0.687	1.00
84_A	90_V	0.682	1.00
13_A	33_R	0.680	1.00
102_D	106_A	0.678	1.00
94_V	97_P	0.672	1.00
45_G	53_A	0.668	1.00
25_E	53_A	0.660	1.00
43_E	73_S	0.658	1.00
24_V	28_L	0.657	1.00
121_Q	133_A	0.656	1.00
46_V	107_N	0.654	1.00
20_R	40_S	0.652	1.00
25_E	43_E	0.649	1.00
65_G	69_A	0.647	1.00
22_G	54_W	0.636	1.00
24_V	89_L	0.634	1.00
35_C	39_A	0.634	1.00
44_T	48_L	0.631	1.00
7_A	10_V	0.630	1.00
68_H	91_S	0.624	1.00
22_G	25_E	0.624	1.00
90_V	93_I	0.622	1.00
64_V	69_A	0.621	1.00
125_Q	133_A	0.605	1.00
5_A	120_G	0.603	1.00
21_G	44_T	0.601	1.00
108_D	111_A	0.601	1.00
45_G	51_F	0.598	1.00
42_A	76_G	0.597	1.00
74_L	112_L	0.596	1.00
12_V	101_A	0.596	1.00
82_A	93_I	0.590	1.00
42_A	47_T	0.587	1.00
63_A	91_S	0.584	1.00
33_R	90_V	0.582	1.00
27_A	30_C	0.581	1.00
62_Q	123_G	0.580	1.00
61_R	64_V	0.579	1.00
129_D	132_E	0.577	1.00
110_D	114_E	0.575	1.00
75_S	104_I	0.570	1.00
79_V	89_L	0.570	1.00
68_H	86_A	0.567	1.00
66_T	119_L	0.567	1.00
38_A	81_A	0.561	1.00
116_Q	120_G	0.560	1.00
122_N	125_Q	0.558	1.00
11_V	31_D	0.557	1.00
57_T	118_L	0.556	1.00
5_A	127_A	0.553	1.00
62_Q	126_A	0.553	1.00
43_E	60_L	0.551	1.00
37_P	94_V	0.550	1.00
43_E	52_G	0.540	1.00
70_A	116_Q	0.539	1.00
64_V	87_M	0.539	1.00
61_R	119_L	0.538	1.00
131_R	134_A	0.538	1.00
32_V	104_I	0.537	1.00
13_A	27_A	0.535	1.00
94_V	98_R	0.533	1.00
29_A	59_R	0.529	1.00
102_D	105_A	0.528	1.00
16_D	39_A	0.525	1.00
61_R	122_N	0.523	1.00
53_A	56_G	0.521	1.00
56_G	59_R	0.520	1.00
41_F	84_A	0.518	1.00
47_T	103_E	0.517	1.00
35_C	81_A	0.510	1.00
20_R	45_G	0.505	1.00
47_T	77_R	0.502	1.00
125_Q	131_R	0.501	1.00
47_T	106_A	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
2fbmA	3	1	100	0.13	Contact Map
1hzdA	5	1	100	0.13	Contact Map
3bptA	1	0.9931	100	0.136	Contact Map
4jfcA	3	1	100	0.137	Contact Map
3hinA	5	1	100	0.14	Contact Map
4u19A	3	1	100	0.14	Contact Map
3laoA	3	0.9444	100	0.14	Contact Map
4lk5A	3	1	100	0.141	Contact Map
4mouA	3	0.9931	100	0.141	Contact Map
4q1kA	3	1	100	0.142	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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