Q97X58 - SULSO - GREMLIN Contacts

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Q97X58 - 2-haloalkanoic acid dehalogenase

UniProt:	Q97X58	Sequences: MYRAIFLDFGNTLVGFKPAFYEKLQIILKEHGYDVEIRKVFRAYVKAMAINNYAQPTDIKEFLYNLSIPPDEKLINSIMSSDIRDGEAFVYDEVIEFLETIRSANLKLILVSNSSPRTKKLLEELGLVKYFDNLVLSHEIGIVKPNPKIFAIAISKGGYPALHIGDIYEIDYIGARRSYLDAVLLDRYDFYPEIKEKVRDLREIIPTIMKNL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	212 (195)
Sequences:	27511 (21856)
Seq/√Len:	1565.1

ECOLI - YJJG GPH YNIC YIGB YIEH YFBT PGMB YRFG YQAB YIHX
BACSU - YHCW YSAA PGMB PPAX YFNB
HALSA - Q9HQE2 Q9HSS2 Q9HP74 Q9HMC4
SULSO - Q97X58 Q97WT6 Q7LX46 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
152_I	156_K	2.992	1.00
123_E	128_V	2.935	1.00
142_I	146_N	2.922	1.00
175_A	182_A	2.737	1.00
165_G	171_D	2.671	1.00
4_A	159_Y	2.656	1.00
99_E	130_Y	2.547	1.00
152_I	155_S	2.424	1.00
95_I	99_E	2.391	1.00
116_P	139_E	2.378	1.00
107_K	132_D	2.325	1.00
111_V	149_I	2.252	1.00
109_I	133_N	2.240	1.00
116_P	119_K	2.234	1.00
142_I	148_K	2.183	1.00
176_R	196_E	2.119	1.00
199_R	203_E	2.113	1.00
154_I	180_L	2.035	1.00
133_N	156_K	2.029	1.00
172_Y	182_A	2.029	1.00
75_I	79_M	1.941	1.00
7_L	108_L	1.922	1.00
173_I	177_R	1.918	1.00
100_T	104_A	1.900	1.00
181_D	196_E	1.884	1.00
5_I	106_L	1.805	1.00
102_R	132_D	1.797	1.00
6_F	163_H	1.794	1.00
162_L	183_V	1.765	1.00
163_H	175_A	1.755	1.00
102_R	130_Y	1.740	1.00
100_T	205_I	1.705	1.00
108_L	131_F	1.694	1.00
94_V	201_L	1.686	1.00
36_E	39_K	1.683	1.00
4_A	157_G	1.618	1.00
6_F	111_V	1.599	1.00
6_F	153_A	1.586	1.00
186_D	199_R	1.577	1.00
112_S	118_T	1.532	1.00
154_I	161_A	1.531	1.00
76_N	80_S	1.496	1.00
5_I	164_I	1.466	1.00
183_V	198_V	1.457	1.00
5_I	101_I	1.445	1.00
186_D	197_K	1.441	1.00
91_Y	187_R	1.426	1.00
109_I	157_G	1.393	1.00
12_T	164_I	1.376	1.00
74_L	77_S	1.374	1.00
200_D	203_E	1.356	1.00
119_K	128_V	1.341	1.00
64_Y	67_S	1.333	1.00
100_T	103_S	1.331	1.00
72_E	76_N	1.327	1.00
97_F	205_I	1.327	1.00
9_F	14_V	1.295	1.00
93_E	96_E	1.284	1.00
97_F	201_L	1.275	1.00
13_L	94_V	1.272	1.00
9_F	110_L	1.260	1.00
150_F	163_H	1.245	1.00
135_V	156_K	1.226	1.00
90_V	127_L	1.224	1.00
26_I	30_E	1.199	1.00
27_I	31_H	1.194	1.00
147_P	151_A	1.155	1.00
169_E	173_I	1.149	1.00
135_V	153_A	1.147	1.00
74_L	78_I	1.145	1.00
150_F	174_G	1.139	1.00
96_E	202_R	1.128	1.00
9_F	114_S	1.118	1.00
9_F	118_T	1.116	1.00
48_M	51_N	1.106	1.00
111_V	153_A	1.104	1.00
150_F	180_L	1.091	1.00
61_E	64_Y	1.085	1.00
116_P	136_L	1.081	1.00
151_A	155_S	1.081	1.00
10_G	16_F	1.078	1.00
4_A	107_K	1.067	1.00
99_E	103_S	1.058	1.00
22_E	26_I	1.050	1.00
83_I	86_G	1.047	1.00
148_K	152_I	1.035	1.00
120_K	124_E	1.034	1.00
25_Q	29_K	1.027	1.00
176_R	182_A	1.018	1.00
95_I	130_Y	1.014	1.00
72_E	79_M	1.012	1.00
150_F	165_G	1.012	1.00
102_R	108_L	1.011	1.00
76_N	79_M	1.010	1.00
98_L	131_F	1.008	1.00
93_E	200_D	1.006	1.00
126_G	129_K	1.006	1.00
119_K	123_E	1.002	1.00
73_K	77_S	1.002	1.00
63_L	66_L	0.998	1.00
133_N	157_G	0.996	1.00
46_K	51_N	0.993	1.00
26_I	29_K	0.991	1.00
47_A	51_N	0.989	1.00
67_S	70_P	0.986	1.00
30_E	74_L	0.981	1.00
75_I	78_I	0.976	1.00
25_Q	37_I	0.964	1.00
43_A	46_K	0.957	1.00
162_L	181_D	0.956	1.00
110_L	131_F	0.955	1.00
99_E	129_K	0.952	1.00
153_A	157_G	0.951	1.00
72_E	75_I	0.950	1.00
22_E	87_E	0.950	1.00
151_A	178_S	0.947	1.00
116_P	138_H	0.946	1.00
101_I	106_L	0.941	1.00
163_H	180_L	0.940	1.00
96_E	99_E	0.939	1.00
46_K	50_I	0.934	1.00
140_I	152_I	0.924	1.00
164_I	183_V	0.922	1.00
141_G	148_K	0.920	1.00
118_T	136_L	0.917	1.00
28_L	33_Y	0.916	1.00
112_S	136_L	0.915	1.00
10_G	114_S	0.908	1.00
90_V	95_I	0.907	1.00
170_I	173_I	0.907	1.00
6_F	157_G	0.903	1.00
184_L	197_K	0.896	1.00
22_E	25_Q	0.892	1.00
135_V	152_I	0.881	1.00
60_K	64_Y	0.879	1.00
45_V	48_M	0.878	1.00
136_L	139_E	0.877	1.00
74_L	79_M	0.877	1.00
148_K	151_A	0.875	1.00
120_K	123_E	0.871	1.00
172_Y	184_L	0.868	1.00
6_F	180_L	0.861	1.00
10_G	112_S	0.859	1.00
3_R	106_L	0.855	1.00
45_V	51_N	0.850	1.00
182_A	196_E	0.848	1.00
9_F	121_L	0.842	1.00
5_I	162_L	0.840	1.00
149_I	153_A	0.838	1.00
109_I	153_A	0.832	1.00
73_K	76_N	0.831	1.00
108_L	130_Y	0.829	1.00
198_V	204_I	0.829	1.00
4_A	109_I	0.824	1.00
98_L	130_Y	0.821	1.00
38_R	42_R	0.816	1.00
20_F	24_L	0.815	1.00
39_K	42_R	0.815	1.00
91_Y	185_L	0.806	1.00
174_G	178_S	0.801	1.00
91_Y	94_V	0.801	1.00
44_Y	48_M	0.798	1.00
101_I	108_L	0.794	1.00
37_I	41_F	0.790	1.00
21_Y	25_Q	0.785	1.00
113_N	143_V	0.779	1.00
3_R	107_K	0.773	1.00
23_K	27_I	0.770	1.00
59_I	62_F	0.770	1.00
150_F	171_D	0.769	1.00
29_K	34_D	0.769	1.00
122_L	128_V	0.768	1.00
167_I	170_I	0.764	1.00
10_G	166_D	0.758	1.00
95_I	129_K	0.757	1.00
93_E	202_R	0.756	1.00
95_I	126_G	0.755	1.00
3_R	159_Y	0.755	1.00
77_S	80_S	0.753	1.00
61_E	65_N	0.752	1.00
14_V	125_L	0.749	1.00
45_V	49_A	0.748	1.00
161_A	180_L	0.742	1.00
151_A	161_A	0.730	1.00
183_V	204_I	0.730	1.00
163_H	171_D	0.729	1.00
135_V	149_I	0.727	1.00
133_N	153_A	0.722	1.00
20_F	114_S	0.717	1.00
184_L	195_K	0.708	1.00
149_I	174_G	0.707	1.00
187_R	201_L	0.703	1.00
10_G	121_L	0.702	1.00
18_P	89_F	0.702	1.00
173_I	176_R	0.701	1.00
41_F	44_Y	0.700	1.00
139_E	156_K	0.699	1.00
154_I	159_Y	0.696	1.00
201_L	205_I	0.692	1.00
6_F	109_I	0.689	1.00
185_L	201_L	0.688	1.00
147_P	177_R	0.687	1.00
71_D	74_L	0.687	1.00
119_K	134_L	0.683	1.00
202_R	205_I	0.677	1.00
108_L	132_D	0.676	1.00
11_N	17_K	0.673	1.00
164_I	204_I	0.671	1.00
96_E	100_T	0.662	1.00
154_I	160_P	0.662	1.00
14_V	88_A	0.658	1.00
90_V	125_L	0.655	1.00
26_I	83_I	0.655	1.00
163_H	174_G	0.654	1.00
19_A	88_A	0.653	1.00
192_P	199_R	0.649	1.00
48_M	52_N	0.649	1.00
82_D	86_G	0.648	1.00
43_A	47_A	0.645	1.00
113_N	170_I	0.643	1.00
15_G	89_F	0.641	1.00
39_K	43_A	0.641	1.00
12_T	185_L	0.637	1.00
154_I	178_S	0.634	1.00
44_Y	51_N	0.633	1.00
14_V	121_L	0.631	1.00
93_E	97_F	0.625	1.00
85_D	120_K	0.619	1.00
114_S	165_G	0.619	1.00
198_V	201_L	0.617	1.00
47_A	50_I	0.617	1.00
111_V	163_H	0.616	1.00
140_I	149_I	0.615	1.00
94_V	97_F	0.614	1.00
198_V	205_I	0.613	1.00
131_F	134_L	0.612	1.00
107_K	159_Y	0.608	1.00
150_F	175_A	0.608	1.00
30_E	77_S	0.603	1.00
97_F	164_I	0.602	1.00
47_A	52_N	0.598	1.00
18_P	22_E	0.596	1.00
15_G	18_P	0.595	1.00
93_E	187_R	0.594	1.00
92_D	202_R	0.592	1.00
92_D	200_D	0.588	1.00
111_V	135_V	0.586	1.00
31_H	74_L	0.584	1.00
12_T	171_D	0.582	1.00
45_V	52_N	0.582	1.00
21_Y	40_V	0.581	1.00
170_I	174_G	0.581	1.00
6_F	150_F	0.579	1.00
137_S	149_I	0.576	1.00
114_S	171_D	0.573	1.00
43_A	51_N	0.571	1.00
94_V	98_L	0.571	1.00
16_F	114_S	0.570	1.00
123_E	129_K	0.568	1.00
64_Y	68_I	0.563	1.00
24_L	28_L	0.560	1.00
44_Y	47_A	0.559	1.00
99_E	102_R	0.557	1.00
102_R	129_K	0.557	1.00
151_A	154_I	0.554	1.00
186_D	191_Y	0.550	1.00
30_E	78_I	0.549	1.00
190_F	193_E	0.545	1.00
7_L	97_F	0.540	1.00
64_Y	71_D	0.539	1.00
62_F	66_L	0.536	1.00
41_F	48_M	0.536	1.00
15_G	91_Y	0.534	1.00
13_L	110_L	0.532	1.00
22_E	83_I	0.529	1.00
72_E	80_S	0.526	1.00
21_Y	37_I	0.523	1.00
35_V	40_V	0.523	1.00
97_F	100_T	0.522	1.00
27_I	30_E	0.520	1.00
97_F	101_I	0.517	1.00
122_L	127_L	0.516	1.00
191_Y	195_K	0.516	1.00
90_V	94_V	0.512	1.00
172_Y	176_R	0.512	1.00
133_N	136_L	0.510	1.00
97_F	198_V	0.505	1.00
72_E	78_I	0.505	1.00
192_P	195_K	0.504	1.00
5_I	108_L	0.501	1.00
148_K	155_S	0.501	1.00
41_F	45_V	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	0.9481	100	0.274	Contact Map
4uw9A	1	0.9245	100	0.312	Contact Map
3iruA	4	0.9953	100	0.342	Contact Map
1swvA	2	0.9953	100	0.345	Contact Map
3smvA	1	0.9717	100	0.352	Contact Map
2hdoA	1	0.9104	100	0.356	Contact Map
3qxgA	3	0.9575	100	0.357	Contact Map
3nasA	2	0.9104	100	0.358	Contact Map
2no4A	4	0.9717	100	0.358	Contact Map
3k1zA	1	0.9953	100	0.358	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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