Q7LXL6 - SULSO - GREMLIN Contacts

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Q7LXL6 - 2-haloalkanoic acid dehalogenase, putative

UniProt:	Q7LXL6	Sequences: MSINYKLFNNVKAVLFDFDDTLVDFSSKAKEALDAVSKDIYTYIKENYQQEININIIRKLVEEESRKLDSQGEYNRNKWWENILKSLNIVHIDKSQLYDWTSLYWSIASQTEPYEDAKEIIEYLDSKGYKLGLVTNSDGEGGNKSSRLRTFPLIDKFDLILIAGEGGIRPKPNLEPFIISCEKLSVEPSSCVFVGDEPVKDCLAAKKANMISVLIDREGKVKDAELYADFVLSSLKQLEEFL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	242 (207)
Sequences:	29103 (22838)
Seq/√Len:	1587.3

ECOLI - YIGB YNIC YIEH GPH YRFG YFBT YJJG PGMB YQAB YIHX
BACSU - YSAA YHCW PPAX YFNB PGMB
HALSA - Q9HQE2 Q9HSS2 Q9HP74 Q9HMC4
SULSO - Q7LXL6 Q97ZU6 Q7LX46 Q97WT6 Q97X58 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
12_K	190_S	4.191	1.00
179_I	183_K	2.857	1.00
149_R	154_I	2.815	1.00
169_R	173_N	2.725	1.00
195_G	201_D	2.682	1.00
205_A	212_S	2.599	1.00
141_G	145_S	2.590	1.00
13_A	186_V	2.509	1.00
118_K	122_E	2.371	1.00
122_E	156_K	2.367	1.00
11_V	211_I	2.337	1.00
130_K	158_D	2.298	1.00
179_I	182_E	2.202	1.00
132_G	159_L	2.160	1.00
134_V	176_P	2.126	1.00
181_C	191_C	2.121	1.00
16_F	131_L	2.120	1.00
169_R	175_E	2.082	1.00
206_K	229_D	2.020	1.00
233_S	237_Q	2.004	1.00
202_C	212_S	1.986	1.00
159_L	183_K	1.898	1.00
187_E	190_S	1.893	1.00
135_T	144_K	1.882	1.00
203_L	207_K	1.852	1.00
53_N	56_I	1.788	1.00
14_V	129_Y	1.776	1.00
125_D	156_K	1.770	1.00
211_I	229_D	1.765	1.00
15_L	193_F	1.739	1.00
192_V	213_V	1.680	1.00
181_C	210_M	1.649	1.00
141_G	166_G	1.631	1.00
123_Y	127_K	1.628	1.00
125_D	158_D	1.619	1.00
117_A	235_L	1.598	1.00
193_F	205_A	1.593	1.00
123_Y	239_E	1.590	1.00
11_V	192_V	1.585	1.00
39_D	99_D	1.584	1.00
145_S	154_I	1.549	1.00
15_L	180_S	1.526	1.00
131_L	157_F	1.522	1.00
13_A	184_L	1.515	1.00
15_L	134_V	1.498	1.00
181_C	188_P	1.488	1.00
35_A	103_L	1.480	1.00
216_D	233_S	1.464	1.00
186_V	191_C	1.461	1.00
114_Y	217_R	1.430	1.00
132_G	184_L	1.416	1.00
14_V	124_L	1.393	1.00
14_V	194_V	1.365	1.00
39_D	103_L	1.365	1.00
213_V	232_L	1.360	1.00
120_I	235_L	1.349	1.00
103_L	106_S	1.320	1.00
123_Y	126_S	1.310	1.00
216_D	231_V	1.308	1.00
21_T	194_V	1.272	1.00
174_L	178_I	1.266	1.00
234_S	237_Q	1.266	1.00
99_D	103_L	1.260	1.00
18_F	133_L	1.255	1.00
78_K	81_E	1.252	1.00
18_F	23_V	1.249	1.00
35_A	39_D	1.245	1.00
18_F	144_K	1.242	1.00
199_V	203_L	1.233	1.00
100_W	104_Y	1.230	1.00
145_S	149_R	1.229	1.00
116_D	119_E	1.226	1.00
213_V	230_F	1.218	1.00
74_Y	78_K	1.217	1.00
101_T	105_W	1.204	1.00
120_I	239_E	1.199	1.00
22_L	117_A	1.198	1.00
15_L	191_C	1.187	1.00
40_I	99_D	1.178	1.00
98_Y	102_S	1.156	1.00
177_F	193_F	1.141	1.00
95_S	99_D	1.135	1.00
92_I	95_S	1.129	1.00
113_P	153_L	1.119	1.00
177_F	204_A	1.115	1.00
93_D	96_Q	1.106	1.00
191_C	210_M	1.102	1.00
54_I	58_R	1.100	1.00
119_E	236_K	1.089	1.00
99_D	102_S	1.089	1.00
58_R	61_V	1.079	1.00
13_A	130_K	1.074	1.00
35_A	38_K	1.072	1.00
36_V	40_I	1.071	1.00
96_Q	100_W	1.064	1.00
177_F	210_M	1.062	1.00
178_I	182_E	1.057	1.00
19_D	25_F	1.052	1.00
13_A	191_C	1.052	1.00
141_G	165_E	1.051	1.00
125_D	131_L	1.039	1.00
122_E	126_S	1.034	1.00
77_N	81_E	1.030	1.00
206_K	212_S	1.026	1.00
78_K	82_N	1.022	1.00
175_E	179_I	1.021	1.00
152_P	155_D	1.019	1.00
134_V	180_S	1.010	1.00
118_K	156_K	1.001	1.00
31_E	35_A	1.000	1.00
81_E	85_K	0.997	1.00
121_I	157_F	0.982	1.00
75_N	79_W	0.977	1.00
175_E	178_I	0.973	1.00
13_A	132_G	0.966	1.00
133_L	157_F	0.966	1.00
146_S	150_T	0.962	1.00
18_F	139_G	0.959	1.00
161_L	183_K	0.958	1.00
180_S	184_L	0.951	1.00
178_I	208_A	0.948	1.00
193_F	210_M	0.936	1.00
202_C	228_A	0.932	1.00
19_D	139_G	0.929	1.00
119_E	122_E	0.922	1.00
146_S	149_R	0.914	1.00
82_N	85_K	0.907	1.00
34_D	38_K	0.905	1.00
56_I	60_L	0.900	1.00
15_L	210_M	0.899	1.00
57_I	60_L	0.897	1.00
31_E	34_D	0.896	1.00
211_I	230_F	0.895	1.00
200_K	203_L	0.890	1.00
97_L	101_T	0.886	1.00
15_L	184_L	0.883	1.00
166_G	183_K	0.883	1.00
144_K	147_R	0.882	1.00
178_I	188_P	0.879	1.00
122_E	155_D	0.874	1.00
177_F	195_G	0.872	1.00
204_A	208_A	0.872	1.00
206_K	227_Y	0.866	1.00
31_E	110_Q	0.866	1.00
94_K	98_Y	0.858	1.00
19_D	135_T	0.855	1.00
113_P	118_K	0.843	1.00
159_L	184_L	0.839	1.00
116_D	234_S	0.832	1.00
232_L	238_L	0.831	1.00
124_L	129_Y	0.827	1.00
192_V	211_I	0.827	1.00
37_S	42_T	0.825	1.00
85_K	88_N	0.825	1.00
197_E	200_K	0.824	1.00
188_P	210_M	0.821	1.00
92_I	96_Q	0.818	1.00
114_Y	215_I	0.811	1.00
11_V	129_Y	0.808	1.00
132_G	180_S	0.808	1.00
34_D	54_I	0.802	1.00
74_Y	82_N	0.798	1.00
76_R	79_W	0.798	1.00
75_N	78_K	0.790	1.00
162_I	165_E	0.788	1.00
56_I	59_K	0.785	1.00
116_D	236_K	0.781	1.00
55_N	58_R	0.779	1.00
139_G	144_K	0.778	1.00
194_V	213_V	0.778	1.00
96_Q	99_D	0.775	1.00
121_I	156_K	0.774	1.00
124_L	131_L	0.773	1.00
212_S	229_D	0.773	1.00
161_L	180_S	0.771	1.00
82_N	86_S	0.771	1.00
14_V	192_V	0.771	1.00
168_I	175_E	0.767	1.00
84_L	87_L	0.765	1.00
214_L	231_V	0.763	1.00
23_V	151_F	0.762	1.00
30_K	34_D	0.761	1.00
114_Y	117_A	0.757	1.00
131_L	156_K	0.756	1.00
19_D	196_D	0.751	1.00
32_A	36_V	0.750	1.00
75_N	80_W	0.748	1.00
81_E	93_D	0.748	1.00
55_N	59_K	0.746	1.00
23_V	147_R	0.739	1.00
167_G	179_I	0.736	1.00
12_K	130_K	0.734	1.00
118_K	152_P	0.731	1.00
12_K	129_Y	0.729	1.00
11_V	190_S	0.723	1.00
193_F	201_D	0.720	1.00
31_E	107_I	0.720	1.00
18_F	147_R	0.714	1.00
136_N	172_P	0.714	1.00
21_T	201_D	0.711	1.00
161_L	179_I	0.710	1.00
186_V	190_S	0.709	1.00
141_G	162_I	0.709	1.00
202_C	214_L	0.696	1.00
53_N	57_I	0.695	1.00
144_K	162_I	0.693	1.00
52_I	57_I	0.693	1.00
118_K	155_D	0.692	1.00
15_L	132_G	0.691	1.00
136_N	170_P	0.688	1.00
203_L	206_K	0.688	1.00
113_P	151_F	0.683	1.00
177_F	201_D	0.682	1.00
213_V	238_L	0.682	1.00
176_P	180_S	0.682	1.00
53_N	58_R	0.681	1.00
98_Y	101_T	0.680	1.00
77_N	94_K	0.677	1.00
174_L	207_K	0.670	1.00
223_D	226_L	0.665	1.00
194_V	238_L	0.664	1.00
119_E	123_Y	0.663	1.00
27_S	112_E	0.661	1.00
52_I	56_I	0.660	1.00
217_R	235_L	0.659	1.00
29_A	33_L	0.657	1.00
12_K	186_V	0.657	1.00
24_D	112_E	0.654	1.00
101_T	104_Y	0.654	1.00
130_K	186_V	0.653	1.00
35_A	107_I	0.652	1.00
74_Y	79_W	0.651	1.00
72_G	75_N	0.650	1.00
20_D	26_S	0.648	1.00
103_L	107_I	0.645	1.00
235_L	239_E	0.645	1.00
76_R	80_W	0.640	1.00
35_A	106_S	0.636	1.00
222_K	225_E	0.636	1.00
223_D	227_Y	0.633	1.00
144_K	160_I	0.633	1.00
167_G	176_P	0.629	1.00
148_L	154_I	0.626	1.00
232_L	235_L	0.625	1.00
136_N	200_K	0.623	1.00
106_S	109_S	0.617	1.00
193_F	204_A	0.615	1.00
100_W	105_W	0.614	1.00
134_V	193_F	0.614	1.00
215_I	235_L	0.614	1.00
159_L	180_S	0.611	1.00
176_P	204_A	0.608	1.00
23_V	111_T	0.608	1.00
181_C	208_A	0.607	1.00
236_K	239_E	0.607	1.00
181_C	186_V	0.602	1.00
24_D	27_S	0.599	1.00
131_L	158_D	0.599	1.00
117_A	121_I	0.595	1.00
72_G	79_W	0.595	1.00
72_G	76_R	0.593	1.00
57_I	61_V	0.592	1.00
125_D	128_G	0.590	1.00
19_D	147_R	0.587	1.00
139_G	143_N	0.584	1.00
21_T	215_I	0.580	1.00
200_K	204_A	0.579	1.00
97_L	100_W	0.578	1.00
145_S	160_I	0.576	1.00
100_W	103_L	0.576	1.00
188_P	191_C	0.571	1.00
142_G	146_S	0.570	1.00
73_E	79_W	0.570	1.00
102_S	106_S	0.568	1.00
178_I	181_C	0.568	1.00
116_D	120_I	0.567	1.00
108_A	146_S	0.565	1.00
120_I	194_V	0.565	1.00
29_A	139_G	0.564	1.00
38_K	43_Y	0.563	1.00
54_I	57_I	0.563	1.00
140_E	143_N	0.561	1.00
24_D	114_Y	0.561	1.00
115_E	236_K	0.558	1.00
120_I	124_L	0.557	1.00
232_L	239_E	0.556	1.00
95_S	98_Y	0.555	1.00
28_K	111_T	0.552	1.00
122_E	125_D	0.550	1.00
116_D	217_R	0.548	1.00
149_R	155_D	0.545	1.00
125_D	155_D	0.544	1.00
84_L	89_I	0.544	1.00
25_F	139_G	0.544	1.00
15_L	177_F	0.543	1.00
16_F	120_I	0.543	1.00
117_A	120_I	0.539	1.00
79_W	82_N	0.539	1.00
139_G	195_G	0.534	1.00
102_S	105_W	0.534	1.00
80_W	84_L	0.534	1.00
144_K	148_L	0.531	1.00
30_K	57_I	0.526	1.00
214_L	228_A	0.521	1.00
214_L	223_D	0.520	1.00
216_D	221_V	0.511	1.00
164_G	167_G	0.507	1.00
27_S	31_E	0.501	1.00
22_L	121_I	0.500	1.00
113_P	117_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
4uw9A	1	0.814	100	0.299	Contact Map
3l5kA	1	0.9091	100	0.308	Contact Map
4eekA	2	0.876	100	0.318	Contact Map
3kbbA	1	0.8636	100	0.323	Contact Map
1te2A	2	0.876	100	0.325	Contact Map
2om6A	2	0.9215	100	0.325	Contact Map
3s6jA	2	0.8678	100	0.326	Contact Map
3dv9A	1	0.8843	100	0.33	Contact Map
2hdoA	1	0.8512	100	0.334	Contact Map
3iruA	4	0.9463	100	0.334	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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