Q97VK1 - SULSO - GREMLIN Contacts

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Q97VK1 - Enoyl CoA hydratase (PaaF-6)

UniProt:	Q97VK1	Sequences: MIKVDNKDGYVVVTISRADKLNALNLEMRNELISKLKEINANPKIRTVILTGEGRAFCVGADVNEFAPDFTIDLRETFYPIIREIRFSDKIYIAAINGVTAGACIGISLSTDFKFAKREVKFVTAFQRLGLASDTGVAYFLLKLTRDQRAYEIAVLGGEFTAEDAERWGLLKISENPLYDAEEMANKILNGPFQSYIAGKRMANLVLYNDLERFLEYESAIQGYLGKTEDFKEGISSFKEKREPKFKGV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	249 (235)
Sequences:	30068 (19604)
Seq/√Len:	1278.8

ECOLI - PAAG PAAF MENB SCPB CAID FADB FADJ
BACSU - YNGF YHAR FADB MENB PKSH PKSI FADN
HALSA - Q9HS32 Q9HQN4 Q9HQ61
SULSO - Q97VK1 Q7LXQ1 Q97YL2 Q97WU7 Q97VK0 Q980Z9 Q97VU5 Q97VS6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
121_K	159_E	3.357	1.00
116_A	171_L	3.120	1.00
94_A	111_T	2.927	1.00
12_V	182_E	2.782	1.00
40_N	89_D	2.637	1.00
37_K	84_E	2.602	1.00
118_R	174_S	2.498	1.00
21_L	55_R	2.461	1.00
158_G	187_K	2.461	1.00
210_D	213_R	2.358	1.00
164_D	167_R	2.346	1.00
161_T	164_D	2.301	1.00
152_E	158_G	2.218	1.00
119_E	175_E	2.204	1.00
149_R	168_W	2.186	1.00
128_R	191_G	2.169	1.00
12_V	51_T	2.130	1.00
21_L	56_A	2.099	1.00
95_A	181_A	2.047	1.00
6_N	11_V	2.042	1.00
233_E	242_R	2.031	1.00
101_A	123_V	1.983	1.00
9_G	46_R	1.983	1.00
154_A	199_G	1.981	1.00
27_E	31_E	1.977	1.00
152_E	172_K	1.971	1.00
16_S	53_E	1.946	1.00
33_I	84_E	1.946	1.00
14_T	53_E	1.925	1.00
6_N	42_N	1.908	1.00
236_S	240_E	1.857	1.00
118_R	163_E	1.849	1.00
151_Y	204_N	1.848	1.00
118_R	175_E	1.832	1.00
11_V	39_I	1.816	1.00
14_T	51_T	1.803	1.00
38_E	42_N	1.762	1.00
164_D	168_W	1.755	1.00
48_V	88_S	1.748	1.00
112_D	200_K	1.706	1.00
182_E	186_N	1.693	1.00
147_D	151_Y	1.689	1.00
115_F	184_M	1.655	1.00
11_V	45_I	1.644	1.00
30_N	77_T	1.620	1.00
163_E	167_R	1.618	1.00
95_A	179_Y	1.610	1.00
116_A	122_F	1.586	1.00
39_I	48_V	1.586	1.00
180_D	183_E	1.584	1.00
7_K	182_E	1.578	1.00
40_N	84_E	1.570	1.00
114_K	148_Q	1.559	1.00
47_T	185_A	1.536	1.00
108_S	114_K	1.533	1.00
114_K	144_L	1.531	1.00
51_T	97_N	1.506	1.00
151_Y	203_A	1.502	1.00
8_D	186_N	1.489	1.00
83_R	212_E	1.488	1.00
151_Y	155_V	1.488	1.00
13_V	35_K	1.475	1.00
83_R	87_F	1.445	1.00
97_N	119_E	1.433	1.00
96_I	108_S	1.431	1.00
85_I	92_Y	1.422	1.00
117_K	175_E	1.417	1.00
86_R	140_F	1.417	1.00
55_R	97_N	1.413	1.00
36_L	88_S	1.410	1.00
96_I	100_T	1.409	1.00
7_K	12_V	1.391	1.00
7_K	186_N	1.384	1.00
97_N	117_K	1.382	1.00
158_G	164_D	1.369	1.00
105_I	124_T	1.361	1.00
26_L	65_E	1.345	1.00
17_R	20_K	1.343	1.00
33_I	37_K	1.342	1.00
25_N	28_M	1.342	1.00
149_R	152_E	1.334	1.00
153_I	160_F	1.333	1.00
198_A	224_Y	1.322	1.00
123_V	159_E	1.311	1.00
127_Q	157_G	1.306	1.00
201_R	205_L	1.299	1.00
40_N	88_S	1.261	1.00
15_I	28_M	1.247	1.00
191_G	196_Y	1.246	1.00
148_Q	172_K	1.242	1.00
231_F	235_I	1.239	1.00
33_I	80_P	1.238	1.00
99_V	121_K	1.236	1.00
31_E	35_K	1.236	1.00
149_R	164_D	1.234	1.00
174_S	177_P	1.230	1.00
56_A	99_V	1.204	1.00
209_N	213_R	1.188	1.00
15_I	58_C	1.173	1.00
177_P	180_D	1.169	1.00
160_F	168_W	1.162	1.00
146_R	149_R	1.158	1.00
58_C	104_C	1.124	1.00
20_K	64_N	1.120	1.00
205_L	217_Y	1.098	1.00
87_F	212_E	1.098	1.00
78_F	135_T	1.088	1.00
31_E	34_S	1.080	1.00
48_V	90_K	1.076	1.00
17_R	62_D	1.076	1.00
26_L	30_N	1.074	1.00
34_S	38_E	1.071	1.00
194_Q	230_D	1.061	1.00
6_N	38_E	1.053	1.00
166_E	171_L	1.050	1.00
113_F	184_M	1.045	1.00
209_N	217_Y	1.030	1.00
92_Y	111_T	1.012	1.00
54_G	97_N	1.005	1.00
106_G	137_V	1.001	1.00
145_T	149_R	0.996	1.00
51_T	95_A	0.976	1.00
48_V	92_Y	0.976	1.00
185_A	189_L	0.975	1.00
5_D	14_T	0.975	1.00
138_A	218_E	0.971	1.00
45_I	90_K	0.959	1.00
43_P	90_K	0.957	1.00
35_K	38_E	0.956	1.00
179_Y	182_E	0.956	1.00
139_Y	214_F	0.955	1.00
163_E	166_E	0.949	1.00
6_N	44_K	0.946	1.00
121_K	161_T	0.945	1.00
117_K	176_N	0.943	1.00
12_V	49_I	0.943	1.00
49_I	181_A	0.942	1.00
5_D	12_V	0.941	1.00
105_I	122_F	0.936	1.00
96_I	122_F	0.932	1.00
144_L	148_Q	0.924	1.00
193_F	197_I	0.923	1.00
89_D	197_I	0.916	1.00
201_R	221_I	0.914	1.00
113_F	172_K	0.910	1.00
188_I	196_Y	0.910	1.00
29_R	81_I	0.907	1.00
21_L	59_V	0.907	1.00
213_R	216_E	0.905	1.00
127_Q	199_G	0.903	1.00
181_A	185_A	0.898	1.00
10_Y	47_T	0.898	1.00
96_I	114_K	0.896	1.00
232_K	236_S	0.890	1.00
132_A	225_L	0.876	1.00
141_L	145_T	0.866	1.00
217_Y	220_A	0.858	1.00
202_M	221_I	0.848	1.00
147_D	207_L	0.837	1.00
106_G	126_F	0.836	1.00
37_K	80_P	0.835	1.00
39_I	45_I	0.833	1.00
178_L	181_A	0.832	1.00
33_I	77_T	0.832	1.00
198_A	221_I	0.830	1.00
36_L	85_I	0.826	1.00
64_N	239_K	0.823	1.00
102_G	125_A	0.821	1.00
6_N	45_I	0.817	1.00
115_F	173_I	0.816	1.00
154_A	203_A	0.815	1.00
13_V	48_V	0.815	1.00
153_I	168_W	0.812	1.00
182_E	185_A	0.809	1.00
145_T	153_I	0.807	1.00
37_K	41_A	0.802	1.00
146_R	150_A	0.800	1.00
101_A	159_E	0.796	1.00
192_P	230_D	0.792	1.00
40_N	90_K	0.790	1.00
30_N	34_S	0.781	1.00
56_A	97_N	0.778	1.00
50_L	111_T	0.775	1.00
33_I	81_I	0.772	1.00
128_R	159_E	0.770	1.00
25_N	65_E	0.764	1.00
17_R	25_N	0.763	1.00
49_I	182_E	0.763	1.00
26_L	77_T	0.762	1.00
187_K	191_G	0.760	1.00
183_E	186_N	0.751	1.00
198_A	225_L	0.749	1.00
24_L	28_M	0.743	1.00
198_A	201_R	0.740	1.00
156_L	184_M	0.740	1.00
235_I	239_K	0.740	1.00
82_I	110_S	0.739	1.00
89_D	201_R	0.738	1.00
229_E	232_K	0.737	1.00
152_E	156_L	0.735	1.00
46_R	193_F	0.734	1.00
139_Y	142_L	0.733	1.00
162_A	171_L	0.733	1.00
39_I	90_K	0.731	1.00
96_I	120_V	0.730	1.00
109_L	170_L	0.728	1.00
162_A	166_E	0.722	1.00
126_F	134_D	0.721	1.00
21_L	99_V	0.714	1.00
115_F	181_A	0.714	1.00
165_A	170_L	0.714	1.00
219_S	223_G	0.712	1.00
221_I	224_Y	0.712	1.00
217_Y	221_I	0.709	1.00
88_S	92_Y	0.709	1.00
183_E	187_K	0.705	1.00
10_Y	49_I	0.700	1.00
17_R	23_A	0.694	1.00
211_L	215_L	0.693	1.00
93_I	185_A	0.692	1.00
76_E	80_P	0.692	1.00
50_L	92_Y	0.691	1.00
42_N	45_I	0.690	1.00
76_E	219_S	0.687	1.00
49_I	95_A	0.686	1.00
193_F	196_Y	0.682	1.00
106_G	134_D	0.679	1.00
28_M	31_E	0.679	1.00
186_N	190_N	0.677	1.00
6_N	9_G	0.677	1.00
194_Q	228_T	0.676	1.00
216_E	220_A	0.674	1.00
122_F	171_L	0.673	1.00
9_G	44_K	0.667	1.00
220_A	224_Y	0.666	1.00
101_A	125_A	0.665	1.00
126_F	133_S	0.665	1.00
149_R	166_E	0.665	1.00
88_S	91_I	0.662	1.00
27_E	30_N	0.657	1.00
123_V	157_G	0.657	1.00
233_E	240_E	0.654	1.00
132_A	202_M	0.654	1.00
35_K	39_I	0.653	1.00
202_M	217_Y	0.653	1.00
61_A	66_F	0.650	1.00
116_A	120_V	0.646	1.00
133_S	199_G	0.646	1.00
42_N	90_K	0.645	1.00
126_F	222_Q	0.644	1.00
47_T	93_I	0.640	1.00
95_A	178_L	0.640	1.00
67_A	236_S	0.637	1.00
230_D	234_G	0.635	1.00
32_L	81_I	0.628	1.00
212_E	216_E	0.616	1.00
10_Y	185_A	0.614	1.00
147_D	204_N	0.614	1.00
147_D	203_A	0.614	1.00
34_S	37_K	0.610	1.00
233_E	237_S	0.610	1.00
234_G	237_S	0.603	1.00
229_E	233_E	0.601	1.00
94_A	114_K	0.599	1.00
13_V	50_L	0.598	1.00
97_N	120_V	0.598	1.00
37_K	40_N	0.597	1.00
13_V	36_L	0.593	1.00
51_T	179_Y	0.593	1.00
161_T	167_R	0.591	1.00
236_S	239_K	0.588	1.00
138_A	214_F	0.587	1.00
155_V	196_Y	0.586	1.00
205_L	209_N	0.586	1.00
36_L	84_E	0.583	1.00
156_L	188_I	0.581	1.00
145_T	150_A	0.580	1.00
113_F	188_I	0.578	1.00
233_E	236_S	0.578	1.00
69_D	73_D	0.578	1.00
144_L	172_K	0.577	1.00
95_A	185_A	0.576	1.00
106_G	136_G	0.576	1.00
131_L	231_F	0.570	1.00
160_F	165_A	0.568	1.00
45_I	48_V	0.568	1.00
99_V	159_E	0.566	1.00
10_Y	182_E	0.566	1.00
187_K	190_N	0.564	1.00
124_T	137_V	0.564	1.00
97_N	175_E	0.563	1.00
199_G	202_M	0.560	1.00
145_T	168_W	0.558	1.00
139_Y	143_K	0.556	1.00
108_S	111_T	0.556	1.00
117_K	120_V	0.555	1.00
119_E	162_A	0.554	1.00
209_N	214_F	0.553	1.00
46_R	189_L	0.553	1.00
127_Q	191_G	0.552	1.00
142_L	145_T	0.552	1.00
110_S	140_F	0.548	1.00
142_L	206_V	0.547	1.00
103_A	135_T	0.547	1.00
20_K	62_D	0.546	1.00
36_L	92_Y	0.546	1.00
102_G	124_T	0.545	1.00
105_I	170_L	0.544	1.00
63_V	66_F	0.543	1.00
124_T	154_A	0.543	1.00
13_V	39_I	0.542	1.00
27_E	65_E	0.540	1.00
130_G	192_P	0.538	1.00
231_F	234_G	0.538	1.00
80_P	83_R	0.536	1.00
20_K	23_A	0.536	1.00
47_T	189_L	0.536	1.00
165_A	171_L	0.533	1.00
106_G	124_T	0.533	1.00
23_A	59_V	0.532	1.00
149_R	167_R	0.532	1.00
38_E	41_A	0.531	1.00
29_R	33_I	0.531	1.00
105_I	109_L	0.530	1.00
106_G	140_F	0.530	1.00
25_N	62_D	0.528	1.00
216_E	219_S	0.527	1.00
176_N	179_Y	0.526	1.00
117_K	178_L	0.525	1.00
184_M	187_K	0.523	1.00
225_L	228_T	0.523	1.00
67_A	239_K	0.520	1.00
36_L	48_V	0.516	1.00
24_L	103_A	0.516	1.00
47_T	181_A	0.514	1.00
81_I	84_E	0.514	1.00
124_T	141_L	0.514	1.00
156_L	187_K	0.513	1.00
143_K	210_D	0.513	1.00
94_A	108_S	0.512	1.00
152_E	164_D	0.511	1.00
194_Q	225_L	0.511	1.00
63_V	129_L	0.508	1.00
24_L	29_R	0.508	1.00
86_R	211_L	0.505	1.00
114_K	171_L	0.505	1.00
133_S	154_A	0.504	1.00
126_F	136_G	0.503	1.00
151_Y	200_K	0.503	1.00
67_A	235_I	0.502	1.00
103_A	106_G	0.501	1.00
113_F	156_L	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
4jfcA	3	0.992	100	0.097	Contact Map
4lk5A	3	0.9759	100	0.099	Contact Map
1nzyA	4	1	100	0.103	Contact Map
4og1A	3	0.9679	100	0.104	Contact Map
2fbmA	3	0.9518	100	0.104	Contact Map
3sllA	6	0.988	100	0.106	Contact Map
3g64A	6	1	100	0.106	Contact Map
3bptA	1	0.996	100	0.107	Contact Map
1uiyA	6	0.9799	100	0.108	Contact Map
3qxzA	3	0.996	100	0.108	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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