Q97WT6 - SULSO - GREMLIN Contacts

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Q97WT6 - 2-haloalkanoic acid dehalogenase

UniProt:	Q97WT6	Sequences: MYRAIFVDFGNTLVGFKPAFYEKLQTILREHGYDVDIRRVFRAYVKAMAVNNYSQPTDIKEFLYNLNIPPSDRLISHIRGSDIRDGEAFIYDDVMEFLETIRSTNTKLILLSNSSPRTKKLLEELGLVKYFDDLVLSHEIGIVKPNPKIFAIAILKGGYPALHIGDIYEIDYVGARRSYVDAILLDRYDFYPEIKEKVRNLREIIPMVTKNL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	212 (194)
Sequences:	27200 (21703)
Seq/√Len:	1558.2

ECOLI - YJJG GPH YIGB PGMB YNIC YFBT YIEH YRFG YQAB YIHX
BACSU - YHCW YSAA PGMB PPAX YFNB
HALSA - Q9HQE2 Q9HSS2 Q9HP74 Q9HMC4
SULSO - Q97WT6 Q97X58 Q7LX46 Q97ZU6 Q7LXL6 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	3.073	1.00
123_E	128_V	3.070	1.00
142_I	146_N	3.000	1.00
175_A	182_A	2.804	1.00
165_G	171_D	2.661	1.00
4_A	159_Y	2.630	1.00
99_E	130_Y	2.594	1.00
95_M	99_E	2.477	1.00
152_I	155_L	2.445	1.00
116_P	119_K	2.405	1.00
107_K	132_D	2.381	1.00
116_P	139_E	2.348	1.00
109_I	133_D	2.291	1.00
111_L	149_I	2.254	1.00
142_I	148_K	2.169	1.00
199_R	203_E	2.113	1.00
172_Y	182_A	2.058	1.00
133_D	156_K	2.054	1.00
154_I	180_V	2.005	1.00
7_V	108_L	1.956	1.00
173_V	177_R	1.927	1.00
100_T	104_T	1.911	1.00
5_I	106_T	1.850	1.00
6_F	163_H	1.812	1.00
102_R	130_Y	1.811	1.00
163_H	175_A	1.808	1.00
102_R	132_D	1.781	1.00
75_I	79_R	1.768	1.00
162_L	183_I	1.766	1.00
36_D	39_R	1.744	1.00
108_L	131_F	1.724	1.00
6_F	111_L	1.636	1.00
4_A	157_G	1.635	1.00
186_D	199_R	1.635	1.00
6_F	153_A	1.607	1.00
112_S	118_T	1.594	1.00
94_V	201_L	1.580	1.00
154_I	161_A	1.549	1.00
76_S	80_G	1.536	1.00
5_I	164_I	1.501	1.00
5_I	101_I	1.477	1.00
186_D	197_K	1.449	1.00
119_K	128_V	1.426	1.00
183_I	198_V	1.423	1.00
74_L	77_H	1.400	1.00
12_T	164_I	1.397	1.00
109_I	157_G	1.390	1.00
91_Y	187_R	1.386	1.00
97_F	201_L	1.367	1.00
191_Y	195_K	1.347	1.00
200_N	203_E	1.340	1.00
100_T	103_S	1.340	1.00
9_F	14_V	1.309	1.00
13_L	94_V	1.303	1.00
9_F	110_L	1.293	1.00
30_E	81_S	1.274	1.00
72_D	76_S	1.271	1.00
26_T	30_E	1.270	1.00
64_Y	67_N	1.269	1.00
93_D	96_E	1.255	1.00
150_F	163_H	1.249	1.00
135_V	156_K	1.240	1.00
90_I	127_L	1.229	1.00
77_H	81_S	1.213	1.00
135_V	153_A	1.205	1.00
27_I	31_H	1.184	1.00
169_E	173_V	1.169	1.00
45_V	49_A	1.155	1.00
150_F	174_G	1.153	1.00
147_P	151_A	1.147	1.00
176_R	182_A	1.126	1.00
9_F	118_T	1.126	1.00
119_K	123_E	1.116	1.00
63_L	66_L	1.116	1.00
150_F	180_V	1.115	1.00
96_E	202_R	1.110	1.00
74_L	78_I	1.109	1.00
46_K	50_V	1.107	1.00
111_L	153_A	1.104	1.00
4_A	107_K	1.099	1.00
151_A	155_L	1.097	1.00
22_E	26_T	1.084	1.00
99_E	103_S	1.083	1.00
9_F	114_S	1.077	1.00
10_G	16_F	1.069	1.00
116_P	136_L	1.066	1.00
118_T	136_L	1.054	1.00
83_I	86_G	1.053	1.00
61_E	64_Y	1.053	1.00
45_V	48_M	1.050	1.00
75_I	78_I	1.049	1.00
76_S	79_R	1.033	1.00
73_R	77_H	1.032	1.00
126_G	129_K	1.031	1.00
148_K	152_I	1.022	1.00
98_L	131_F	1.016	1.00
150_F	165_G	1.008	1.00
25_Q	29_R	1.008	1.00
67_N	70_P	1.005	1.00
133_D	157_G	1.005	1.00
95_M	130_Y	1.000	1.00
26_T	29_R	0.998	1.00
48_M	51_N	0.993	1.00
102_R	108_L	0.993	1.00
99_E	129_K	0.989	1.00
162_L	181_D	0.985	1.00
44_Y	48_M	0.976	1.00
120_K	124_E	0.976	1.00
22_E	87_E	0.963	1.00
163_H	180_V	0.961	1.00
96_E	99_E	0.955	1.00
110_L	131_F	0.952	1.00
116_P	138_H	0.951	1.00
93_D	200_N	0.941	1.00
30_E	74_L	0.936	1.00
28_L	33_Y	0.930	1.00
43_A	46_K	0.930	1.00
170_I	173_V	0.928	1.00
141_G	148_K	0.928	1.00
22_E	25_Q	0.927	1.00
164_I	183_I	0.925	1.00
153_A	157_G	0.924	1.00
6_F	157_G	0.924	1.00
101_I	106_T	0.923	1.00
184_L	197_K	0.920	1.00
151_A	178_S	0.913	1.00
148_K	151_A	0.913	1.00
120_K	123_E	0.913	1.00
25_Q	37_I	0.907	1.00
112_S	136_L	0.895	1.00
172_Y	184_L	0.886	1.00
74_L	81_S	0.882	1.00
140_I	152_I	0.880	1.00
136_L	139_E	0.876	1.00
98_L	130_Y	0.876	1.00
10_G	114_S	0.874	1.00
90_I	95_M	0.874	1.00
72_D	75_I	0.871	1.00
72_D	79_R	0.865	1.00
4_A	109_I	0.864	1.00
149_I	153_A	0.861	1.00
60_K	64_Y	0.861	1.00
3_R	106_T	0.860	1.00
6_F	180_V	0.857	1.00
135_V	152_I	0.855	1.00
109_I	153_A	0.832	1.00
39_R	42_R	0.827	1.00
192_P	195_K	0.824	1.00
59_I	62_F	0.820	1.00
9_F	121_L	0.819	1.00
108_L	130_Y	0.818	1.00
198_V	204_I	0.816	1.00
20_F	24_L	0.816	1.00
10_G	112_S	0.815	1.00
91_Y	185_L	0.807	1.00
41_F	44_Y	0.806	1.00
5_I	162_L	0.797	1.00
91_Y	94_V	0.792	1.00
184_L	194_I	0.785	1.00
101_I	108_L	0.783	1.00
23_K	27_I	0.782	1.00
21_Y	25_Q	0.780	1.00
61_E	65_N	0.774	1.00
74_L	79_R	0.774	1.00
150_F	171_D	0.774	1.00
164_I	204_I	0.771	1.00
95_M	129_K	0.770	1.00
3_R	107_K	0.768	1.00
93_D	202_R	0.765	1.00
161_A	180_V	0.763	1.00
174_G	178_S	0.760	1.00
3_R	159_Y	0.759	1.00
113_N	143_V	0.757	1.00
167_I	170_I	0.754	1.00
38_R	42_R	0.753	1.00
59_I	63_L	0.752	1.00
30_E	77_H	0.744	1.00
26_T	81_S	0.741	1.00
77_H	80_G	0.736	1.00
95_M	126_G	0.735	1.00
151_A	161_A	0.733	1.00
191_Y	199_R	0.726	1.00
10_G	166_D	0.723	1.00
20_F	114_S	0.722	1.00
73_R	76_S	0.719	1.00
187_R	201_L	0.714	1.00
149_I	174_G	0.713	1.00
154_I	159_Y	0.712	1.00
108_L	132_D	0.710	1.00
71_S	74_L	0.710	1.00
139_E	156_K	0.705	1.00
37_I	41_F	0.704	1.00
122_L	128_V	0.704	1.00
18_P	89_F	0.703	1.00
133_D	153_A	0.700	1.00
44_Y	47_A	0.700	1.00
183_I	204_I	0.693	1.00
29_R	34_D	0.693	1.00
96_E	100_T	0.689	1.00
14_V	125_L	0.688	1.00
154_I	160_P	0.688	1.00
47_A	51_N	0.685	1.00
135_V	149_I	0.681	1.00
47_A	50_V	0.681	1.00
11_N	17_K	0.680	1.00
173_V	176_R	0.678	1.00
45_V	51_N	0.678	1.00
163_H	171_D	0.676	1.00
6_F	109_I	0.676	1.00
185_L	201_L	0.673	1.00
93_D	97_F	0.671	1.00
14_V	121_L	0.669	1.00
26_T	83_I	0.667	1.00
147_P	177_R	0.663	1.00
119_K	134_L	0.660	1.00
154_I	178_S	0.659	1.00
198_V	201_L	0.657	1.00
46_K	51_N	0.655	1.00
90_I	125_L	0.653	1.00
19_A	88_A	0.646	1.00
163_H	174_G	0.646	1.00
10_G	121_L	0.644	1.00
21_Y	40_V	0.644	1.00
15_G	89_F	0.643	1.00
12_T	185_L	0.641	1.00
107_K	159_Y	0.635	1.00
43_A	47_A	0.634	1.00
113_N	170_I	0.631	1.00
39_R	43_A	0.629	1.00
82_D	86_G	0.625	1.00
31_H	74_L	0.625	1.00
191_Y	194_I	0.618	1.00
111_L	135_V	0.618	1.00
44_Y	51_N	0.615	1.00
44_Y	49_A	0.613	1.00
97_F	164_I	0.611	1.00
15_G	18_P	0.610	1.00
14_V	88_A	0.609	1.00
150_F	175_A	0.608	1.00
114_S	165_G	0.608	1.00
123_E	129_K	0.600	1.00
41_F	48_M	0.596	1.00
94_V	97_F	0.593	1.00
140_I	149_I	0.592	1.00
131_F	134_L	0.590	1.00
85_D	120_K	0.589	1.00
35_V	39_R	0.588	1.00
170_I	174_G	0.586	1.00
93_D	187_R	0.585	1.00
94_V	98_L	0.584	1.00
64_Y	68_I	0.583	1.00
186_D	191_Y	0.581	1.00
18_P	22_E	0.580	1.00
92_D	200_N	0.580	1.00
111_L	163_H	0.575	1.00
62_F	66_L	0.572	1.00
176_R	196_E	0.572	1.00
12_T	171_D	0.571	1.00
114_S	118_T	0.569	1.00
102_R	129_K	0.568	1.00
114_S	171_D	0.568	1.00
40_V	43_A	0.565	1.00
118_T	121_L	0.562	1.00
21_Y	37_I	0.561	1.00
99_E	102_R	0.559	1.00
97_F	100_T	0.559	1.00
118_T	134_L	0.556	1.00
92_D	202_R	0.551	1.00
35_V	40_V	0.551	1.00
6_F	150_F	0.550	1.00
137_S	149_I	0.545	1.00
70_P	73_R	0.542	1.00
7_V	97_F	0.541	1.00
63_L	68_I	0.540	1.00
151_A	154_I	0.539	1.00
97_F	198_V	0.535	1.00
27_I	30_E	0.533	1.00
176_R	181_D	0.527	1.00
38_R	41_F	0.527	1.00
62_F	68_I	0.527	1.00
41_F	45_V	0.524	1.00
16_F	114_S	0.522	1.00
30_E	78_I	0.519	1.00
13_L	110_L	0.517	1.00
97_F	101_I	0.517	1.00
16_F	20_F	0.513	1.00
64_Y	71_S	0.513	1.00
15_G	91_Y	0.511	1.00
22_E	83_I	0.507	1.00
67_N	71_S	0.504	1.00
24_L	28_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
2zg6A	2	0.9434	100	0.282	Contact Map
4uw9A	1	0.9245	100	0.312	Contact Map
3iruA	4	0.9953	100	0.345	Contact Map
1swvA	2	0.9953	100	0.348	Contact Map
3nasA	2	0.9104	100	0.359	Contact Map
1te2A	2	0.9481	100	0.359	Contact Map
3smvA	1	0.9717	100	0.36	Contact Map
3l5kA	1	0.9623	100	0.362	Contact Map
4uasA	1	0.967	100	0.362	Contact Map
3s6jA	2	0.9623	100	0.363	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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