Q7LX46 - SULSO - GREMLIN Contacts

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Q7LX46 - 2-haloalkanoic acid dehalogenase

UniProt:	Q7LX46	Sequences: MKTIFVDLGETLVHFKPRYHENIAYALKEIGYNVDERRVFKAVAKILGKHHYPSQEYGGLSAFDFRELFYELNIYPDEQLITRLNSKNLLSGEYELYDDSITFLEEAKGLGFKLVLVSNATRSIYKIVEDLGIKKYFDGIVASCDLNIMKPHPKIFSYAMEIAKSDGIHIGDIYEIDVIGAKRAGLEAILLDRLGFYPEIRENKVSNLLEALELVKEKLRNS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	222 (194)
Sequences:	27834 (22090)
Seq/√Len:	1586.0

ECOLI - GPH YJJG YIGB YIEH YNIC YRFG YFBT PGMB YQAB YIHX
BACSU - YFNB YSAA YHCW PGMB PPAX
HALSA - Q9HQE2 Q9HSS2 Q9HP74 Q9HMC4
SULSO - Q7LX46 Q97WT6 Q97X58 Q7LXL6 Q97ZU6 Q97YZ1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
148_I	152_H	2.948	1.00
129_E	134_K	2.893	1.00
181_A	188_A	2.754	1.00
171_G	177_D	2.736	1.00
105_E	136_Y	2.585	1.00
101_I	105_E	2.455	1.00
115_V	139_G	2.454	1.00
3_T	162_I	2.453	1.00
113_K	138_D	2.365	1.00
158_Y	161_E	2.364	1.00
117_V	155_I	2.239	1.00
122_R	145_D	2.212	1.00
182_K	202_E	2.159	1.00
206_S	210_E	2.129	1.00
160_M	167_G	2.128	1.00
148_I	154_K	2.122	1.00
118_S	125_Y	2.069	1.00
178_V	188_A	2.003	1.00
6_V	114_L	1.993	1.00
106_E	110_L	1.966	1.00
179_I	183_R	1.926	1.00
187_E	202_E	1.921	1.00
163_A	166_D	1.905	1.00
108_K	138_D	1.841	1.00
160_M	186_L	1.821	1.00
108_K	136_Y	1.812	1.00
5_F	169_H	1.797	1.00
4_I	112_F	1.790	1.00
81_I	85_N	1.771	1.00
106_E	212_L	1.765	1.00
168_I	189_I	1.743	1.00
169_H	181_A	1.729	1.00
100_S	208_L	1.711	1.00
35_D	38_R	1.702	1.00
114_L	137_F	1.685	1.00
162_I	167_G	1.630	1.00
160_M	164_K	1.607	1.00
5_F	117_V	1.583	1.00
5_F	159_A	1.573	1.00
192_D	206_S	1.539	1.00
4_I	170_I	1.521	1.00
4_I	107_A	1.508	1.00
82_T	86_S	1.497	1.00
189_I	205_V	1.456	1.00
97_Y	193_R	1.447	1.00
80_L	83_R	1.419	1.00
207_N	210_E	1.402	1.00
103_F	208_L	1.387	1.00
189_I	203_N	1.376	1.00
11_T	170_I	1.372	1.00
192_D	204_K	1.357	1.00
78_E	82_T	1.355	1.00
106_E	109_G	1.348	1.00
99_D	102_T	1.332	1.00
103_F	212_L	1.318	1.00
8_L	13_V	1.311	1.00
12_L	100_S	1.283	1.00
8_L	116_L	1.277	1.00
70_Y	73_N	1.264	1.00
96_L	133_I	1.239	1.00
153_P	157_S	1.207	1.00
5_F	167_G	1.206	1.00
141_V	159_A	1.195	1.00
29_E	80_L	1.195	1.00
122_R	142_A	1.194	1.00
102_T	209_L	1.177	1.00
80_L	84_L	1.171	1.00
167_G	186_L	1.152	1.00
26_A	30_I	1.149	1.00
157_S	161_E	1.147	1.00
25_Y	29_E	1.145	1.00
125_Y	142_A	1.141	1.00
156_F	169_H	1.138	1.00
9_G	15_F	1.133	1.00
43_V	47_L	1.114	1.00
117_V	159_A	1.113	1.00
78_E	85_N	1.108	1.00
78_E	81_I	1.103	1.00
63_F	66_R	1.102	1.00
156_F	180_G	1.100	1.00
105_E	109_G	1.090	1.00
82_T	85_N	1.086	1.00
73_N	76_P	1.081	1.00
8_L	120_A	1.079	1.00
162_I	166_D	1.079	1.00
81_I	84_L	1.071	1.00
132_G	135_K	1.068	1.00
156_F	186_L	1.061	1.00
21_E	25_Y	1.060	1.00
3_T	113_K	1.054	1.00
42_A	45_K	1.052	1.00
182_K	188_A	1.047	1.00
154_K	158_Y	1.045	1.00
89_L	92_G	1.044	1.00
108_K	114_L	1.041	1.00
79_Q	83_R	1.037	1.00
24_A	28_K	1.034	1.00
116_L	137_F	1.032	1.00
21_E	24_A	1.031	1.00
8_L	125_Y	1.028	1.00
25_Y	28_K	1.018	1.00
9_G	120_A	1.012	1.00
104_L	137_F	1.008	1.00
101_I	136_Y	1.002	1.00
44_A	47_L	0.997	1.00
21_E	93_E	0.995	1.00
169_H	186_L	0.991	1.00
187_E	203_N	0.989	1.00
122_R	144_C	0.985	1.00
115_V	159_A	0.963	1.00
168_I	187_E	0.959	1.00
44_A	48_G	0.956	1.00
156_F	171_G	0.952	1.00
126_K	130_D	0.951	1.00
105_E	135_K	0.950	1.00
24_A	36_E	0.948	1.00
40_F	43_V	0.946	1.00
157_S	184_A	0.945	1.00
102_T	105_E	0.942	1.00
67_E	70_Y	0.939	1.00
99_D	207_N	0.939	1.00
147_N	154_K	0.935	1.00
157_S	164_K	0.935	1.00
170_I	189_I	0.921	1.00
182_K	200_I	0.919	1.00
96_L	101_I	0.914	1.00
27_L	32_Y	0.913	1.00
3_T	167_G	0.910	1.00
62_A	66_R	0.910	1.00
141_V	158_Y	0.905	1.00
63_F	67_E	0.905	1.00
164_K	186_L	0.899	1.00
69_F	72_L	0.896	1.00
176_I	179_I	0.895	1.00
107_A	112_F	0.893	1.00
118_S	142_A	0.892	1.00
190_L	204_K	0.884	1.00
205_V	211_A	0.883	1.00
80_L	85_N	0.881	1.00
154_K	157_S	0.877	1.00
66_R	70_Y	0.873	1.00
5_F	186_L	0.872	1.00
126_K	129_E	0.871	1.00
114_L	136_Y	0.864	1.00
146_L	158_Y	0.855	1.00
104_L	136_Y	0.850	1.00
142_A	145_D	0.850	1.00
38_R	41_K	0.838	1.00
37_R	41_K	0.837	1.00
4_I	168_I	0.828	1.00
3_T	115_V	0.823	1.00
8_L	127_I	0.822	1.00
180_G	184_A	0.818	1.00
9_G	118_S	0.818	1.00
178_V	190_L	0.814	1.00
38_R	42_A	0.814	1.00
97_Y	191_L	0.806	1.00
155_I	159_A	0.797	1.00
178_V	201_R	0.797	1.00
173_I	176_I	0.794	1.00
107_A	114_L	0.791	1.00
29_E	83_R	0.789	1.00
97_Y	100_S	0.784	1.00
9_G	172_D	0.784	1.00
36_E	40_F	0.781	1.00
99_D	209_L	0.781	1.00
5_F	115_V	0.776	1.00
13_V	131_L	0.774	1.00
22_N	26_A	0.773	1.00
120_A	125_Y	0.772	1.00
83_R	86_S	0.769	1.00
139_G	159_A	0.762	1.00
188_A	202_E	0.761	1.00
40_F	44_A	0.758	1.00
79_Q	82_T	0.756	1.00
119_N	149_M	0.755	1.00
101_I	135_K	0.752	1.00
20_H	24_A	0.750	1.00
193_R	208_L	0.750	1.00
189_I	211_A	0.748	1.00
13_V	127_I	0.747	1.00
141_V	155_I	0.738	1.00
169_H	177_D	0.737	1.00
19_Y	23_I	0.731	1.00
101_I	132_G	0.725	1.00
164_K	167_G	0.722	1.00
67_E	71_E	0.722	1.00
28_K	33_N	0.722	1.00
10_E	16_K	0.715	1.00
17_P	95_E	0.710	1.00
179_I	182_K	0.707	1.00
114_L	138_D	0.703	1.00
64_D	68_L	0.696	1.00
191_L	208_L	0.693	1.00
128_V	134_K	0.692	1.00
96_L	131_L	0.687	1.00
30_I	80_L	0.685	1.00
14_H	17_P	0.685	1.00
102_T	106_E	0.680	1.00
73_N	77_D	0.680	1.00
91_S	126_K	0.679	1.00
155_I	180_G	0.678	1.00
146_L	155_I	0.676	1.00
125_Y	140_I	0.672	1.00
170_I	211_A	0.670	1.00
43_V	46_I	0.669	1.00
205_V	212_L	0.669	1.00
156_F	177_D	0.664	1.00
209_L	212_L	0.663	1.00
34_V	39_V	0.660	1.00
25_Y	89_L	0.659	1.00
13_V	94_Y	0.658	1.00
19_Y	120_A	0.657	1.00
205_V	208_L	0.657	1.00
190_L	201_R	0.652	1.00
208_L	212_L	0.652	1.00
153_P	183_R	0.652	1.00
117_V	169_H	0.652	1.00
77_D	80_L	0.650	1.00
88_N	92_G	0.649	1.00
119_N	176_I	0.649	1.00
198_P	206_S	0.648	1.00
129_E	135_K	0.644	1.00
42_A	46_I	0.643	1.00
14_H	95_E	0.639	1.00
169_H	180_G	0.639	1.00
34_V	38_R	0.635	1.00
9_G	127_I	0.634	1.00
20_H	39_V	0.628	1.00
99_D	103_F	0.628	1.00
23_I	27_L	0.627	1.00
103_F	170_I	0.625	1.00
18_R	94_Y	0.623	1.00
17_P	21_E	0.623	1.00
108_K	135_K	0.619	1.00
11_T	191_L	0.614	1.00
160_M	184_A	0.612	1.00
20_H	36_E	0.607	1.00
11_T	177_D	0.605	1.00
40_F	47_L	0.603	1.00
119_N	151_P	0.602	1.00
192_D	197_Y	0.600	1.00
70_Y	74_I	0.600	1.00
98_D	207_N	0.598	1.00
105_E	108_K	0.597	1.00
120_A	171_G	0.594	1.00
98_D	209_L	0.592	1.00
113_K	162_I	0.591	1.00
99_D	193_R	0.588	1.00
117_V	141_V	0.583	1.00
176_I	180_G	0.575	1.00
65_F	68_L	0.574	1.00
69_F	74_I	0.574	1.00
143_S	155_I	0.568	1.00
6_V	103_F	0.568	1.00
137_F	140_I	0.566	1.00
37_R	40_F	0.561	1.00
68_L	72_L	0.559	1.00
103_F	107_A	0.558	1.00
100_S	104_L	0.557	1.00
39_V	42_A	0.555	1.00
29_E	84_L	0.553	1.00
70_Y	77_D	0.553	1.00
100_S	103_F	0.552	1.00
78_E	86_S	0.552	1.00
5_F	156_F	0.551	1.00
120_A	177_D	0.550	1.00
157_S	160_M	0.547	1.00
41_K	45_K	0.547	1.00
156_F	181_A	0.543	1.00
25_Y	84_L	0.541	1.00
21_E	89_L	0.538	1.00
96_L	100_S	0.536	1.00
17_P	36_E	0.533	1.00
14_H	97_Y	0.529	1.00
108_K	111_G	0.528	1.00
128_V	133_I	0.526	1.00
115_V	138_D	0.525	1.00
19_Y	22_N	0.524	1.00
39_V	43_V	0.522	1.00
180_G	183_R	0.519	1.00
192_D	196_F	0.518	1.00
64_D	67_E	0.516	1.00
15_F	120_A	0.515	1.00
4_I	114_L	0.512	1.00
69_F	73_N	0.512	1.00
103_F	205_V	0.509	1.00
179_I	199_E	0.509	1.00
12_L	116_L	0.502	1.00
123_S	126_K	0.501	1.00
40_F	46_I	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
2zg6A	2	0.9054	100	0.299	Contact Map
4uw9A	1	0.8964	100	0.3	Contact Map
3k1zA	1	0.9955	100	0.323	Contact Map
3ed5A	1	0.982	100	0.34	Contact Map
3iruA	4	0.9775	100	0.341	Contact Map
3smvA	1	0.973	100	0.344	Contact Map
1swvA	2	0.9685	100	0.345	Contact Map
3nasA	2	0.8829	100	0.349	Contact Map
3dv9A	1	0.9189	100	0.351	Contact Map
2no4A	4	0.9595	100	0.355	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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