Q9HQA4 - HALSA - GREMLIN Contacts

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Q9HQA4 - Phosphoesterase

UniProt:	Q9HQA4	Sequences: MALVEPVLGEPAAVAETGGGRALVVADYHAGIEVSLRRKGLEVEGRGPQRRRRLRRLVREEGADRLVVLGDVGHAIGAPEEAEREELAALFDAVDVPATVVVGNHDSGIEDVVPADVTVTPSDGAVLGDVGFAHGHTWPSRAVLEAETVCIGHEHPAVRLTDDVGGTRVQRAWLRGPLDPAPFTDHYGEAVDAHGDLAVFPAFNDLSGGTWVNVDGQGFLAPFLPAGCPDAELYLQDGTRLGRFDRV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	247 (195)
Sequences:	717 (552)
Seq/√Len:	39.5

HALSA - Q9HQA4
SULSO - Q97ZG5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
24_V	132_F	5.746	1.00
148_T	198_A	4.471	1.00
157_A	209_G	4.449	1.00
21_R	64_D	4.355	1.00
22_A	67_V	3.466	1.00
66_L	98_A	3.238	1.00
12_A	57_L	3.131	1.00
65_R	97_P	3.120	1.00
69_L	132_F	3.036	1.00
204_N	207_S	2.857	1.00
13_A	198_A	2.844	1.00
68_V	72_V	2.635	1.00
136_H	139_P	2.567	1.00
154_E	199_V	2.443	1.00
50_R	204_N	2.442	1.00
30_A	50_R	2.397	1.00
15_A	20_G	2.388	1.00
157_A	169_V	2.303	1.00
8_L	11_P	2.300	1.00
25_V	54_L	2.108	0.99
65_R	99_T	2.070	0.99
10_E	60_E	2.069	0.99
159_R	167_T	1.955	0.99
67_V	132_F	1.876	0.98
32_I	207_S	1.835	0.98
8_L	61_E	1.821	0.98
175_R	198_A	1.820	0.98
11_P	53_R	1.705	0.97
148_T	175_R	1.692	0.97
162_D	166_G	1.657	0.96
10_E	56_R	1.641	0.96
174_L	199_V	1.635	0.96
53_R	203_F	1.634	0.96
126_V	147_E	1.587	0.95
44_E	74_H	1.539	0.94
66_L	96_V	1.498	0.93
24_V	131_G	1.449	0.92
130_V	148_T	1.432	0.92
46_R	50_R	1.422	0.91
162_D	165_G	1.418	0.91
148_T	176_G	1.389	0.90
34_V	75_A	1.387	0.90
157_A	211_W	1.333	0.88
161_T	167_T	1.302	0.87
66_L	212_V	1.293	0.87
33_E	46_R	1.271	0.86
20_G	127_L	1.267	0.86
22_A	65_R	1.261	0.85
58_V	63_A	1.244	0.85
12_A	25_V	1.239	0.84
25_V	138_W	1.232	0.84
23_L	57_L	1.231	0.84
32_I	36_L	1.229	0.84
14_V	61_E	1.227	0.84
150_C	198_A	1.226	0.84
58_V	92_D	1.217	0.83
158_V	222_P	1.213	0.83
75_A	107_S	1.189	0.82
69_L	204_N	1.185	0.82
48_P	52_R	1.177	0.81
83_E	86_E	1.175	0.81
14_V	21_R	1.171	0.81
55_R	93_A	1.169	0.81
49_Q	205_D	1.161	0.80
24_V	69_L	1.140	0.79
67_V	99_T	1.132	0.78
21_R	48_P	1.125	0.78
24_V	67_V	1.124	0.78
124_G	131_G	1.119	0.78
157_A	202_A	1.100	0.76
55_R	59_R	1.097	0.76
85_E	160_L	1.097	0.76
102_V	112_V	1.092	0.76
200_F	207_S	1.085	0.75
136_H	151_I	1.085	0.75
33_E	47_G	1.073	0.75
10_E	173_W	1.060	0.74
54_L	203_F	1.056	0.73
32_I	73_G	1.055	0.73
101_V	123_D	1.051	0.73
94_V	98_A	1.044	0.73
65_R	127_L	1.043	0.72
7_V	12_A	1.031	0.72
176_G	218_G	1.018	0.71
202_A	207_S	1.012	0.70
37_R	207_S	1.001	0.69
34_V	87_L	0.994	0.69
196_D	203_F	0.991	0.69
42_E	206_L	0.991	0.69
98_A	119_V	0.982	0.68
62_G	129_D	0.980	0.68
36_L	206_L	0.980	0.68
21_R	56_R	0.980	0.68
124_G	139_P	0.973	0.67
18_G	171_R	0.971	0.67
140_S	169_V	0.948	0.65
203_F	206_L	0.947	0.65
154_E	213_N	0.945	0.65
46_R	206_L	0.941	0.64
76_I	108_G	0.939	0.64
177_P	226_A	0.931	0.64
64_D	137_T	0.919	0.63
91_F	98_A	0.916	0.62
32_I	208_G	0.910	0.62
105_H	153_H	0.909	0.62
130_V	198_A	0.898	0.61
209_G	220_L	0.896	0.61
133_A	149_V	0.896	0.61
19_G	167_T	0.892	0.60
165_G	209_G	0.889	0.60
151_I	197_L	0.881	0.59
81_E	87_L	0.874	0.59
57_L	61_E	0.872	0.59
172_A	208_G	0.871	0.58
133_A	223_F	0.869	0.58
204_N	208_G	0.868	0.58
31_G	100_V	0.865	0.58
91_F	96_V	0.864	0.58
29_H	105_H	0.860	0.57
118_T	122_S	0.859	0.57
93_A	200_F	0.858	0.57
173_W	198_A	0.856	0.57
26_A	69_L	0.856	0.57
135_G	222_P	0.850	0.57
63_A	177_P	0.849	0.56
15_A	132_F	0.844	0.56
48_P	59_R	0.842	0.56
19_G	147_E	0.825	0.54
171_R	211_W	0.820	0.54
170_Q	204_N	0.818	0.54
99_T	120_T	0.817	0.54
11_P	175_R	0.813	0.53
32_I	50_R	0.810	0.53
158_V	217_Q	0.806	0.53
136_H	222_P	0.806	0.53
37_R	42_E	0.804	0.52
60_E	64_D	0.801	0.52
60_E	167_T	0.789	0.51
72_V	170_Q	0.785	0.51
12_A	203_F	0.785	0.51
50_R	135_G	0.783	0.50
30_A	68_V	0.782	0.50
91_F	94_V	0.780	0.50
29_H	153_H	0.776	0.50
36_L	41_L	0.773	0.50
25_V	217_Q	0.773	0.50
101_V	122_S	0.773	0.50
69_L	151_I	0.767	0.49
13_A	26_A	0.760	0.48
214_V	218_G	0.757	0.48
64_D	145_E	0.756	0.48
126_V	129_D	0.754	0.48
118_T	121_P	0.749	0.47
35_S	81_E	0.747	0.47
133_A	202_A	0.746	0.47
26_A	60_E	0.740	0.47
26_A	100_V	0.739	0.46
54_L	90_L	0.737	0.46
44_E	218_G	0.736	0.46
85_E	95_D	0.733	0.46
31_G	87_L	0.731	0.46
80_E	98_A	0.730	0.46
34_V	127_L	0.728	0.45
111_D	119_V	0.728	0.45
32_I	170_Q	0.725	0.45
92_D	216_G	0.723	0.45
33_E	87_L	0.723	0.45
31_G	72_V	0.723	0.45
35_S	107_S	0.720	0.45
115_A	160_L	0.718	0.45
88_A	97_P	0.716	0.44
101_V	198_A	0.716	0.44
150_C	200_F	0.716	0.44
73_G	83_E	0.711	0.44
7_V	30_A	0.709	0.44
35_S	83_E	0.708	0.44
58_V	94_V	0.707	0.44
43_V	80_E	0.706	0.44
44_E	97_P	0.698	0.43
46_R	72_V	0.696	0.43
25_V	150_C	0.695	0.43
66_L	172_A	0.691	0.42
86_E	214_V	0.690	0.42
154_E	158_V	0.688	0.42
43_V	210_T	0.687	0.42
60_E	101_V	0.687	0.42
127_L	215_D	0.682	0.41
97_P	118_T	0.681	0.41
10_E	53_R	0.680	0.41
46_R	83_E	0.679	0.41
48_P	177_P	0.679	0.41
64_D	92_D	0.675	0.41
139_P	144_L	0.672	0.40
10_E	57_L	0.668	0.40
13_A	92_D	0.662	0.40
154_E	210_T	0.657	0.39
87_L	91_F	0.653	0.39
62_G	200_F	0.653	0.39
53_R	205_D	0.652	0.39
24_V	101_V	0.652	0.39
50_R	207_S	0.644	0.38
61_E	81_E	0.641	0.38
38_R	172_A	0.636	0.37
59_R	216_G	0.635	0.37
104_N	153_H	0.633	0.37
93_A	98_A	0.632	0.37
25_V	44_E	0.625	0.36
171_R	206_L	0.623	0.36
82_A	86_E	0.621	0.36
135_G	139_P	0.620	0.36
21_R	118_T	0.615	0.36
158_V	202_A	0.612	0.35
62_G	226_A	0.611	0.35
170_Q	173_W	0.610	0.35
87_L	223_F	0.609	0.35
69_L	150_C	0.608	0.35
209_G	212_V	0.605	0.35
35_S	75_A	0.603	0.35
35_S	176_G	0.601	0.34
174_L	218_G	0.601	0.34
164_V	207_S	0.600	0.34
66_L	114_P	0.598	0.34
29_H	104_N	0.597	0.34
213_N	219_F	0.594	0.34
55_R	89_A	0.591	0.34
68_V	137_T	0.591	0.34
174_L	212_V	0.591	0.34
25_V	48_P	0.591	0.34
34_V	37_R	0.589	0.33
38_R	125_A	0.589	0.33
30_A	204_N	0.587	0.33
46_R	86_E	0.585	0.33
134_H	155_H	0.583	0.33
70_G	134_H	0.583	0.33
70_G	155_H	0.583	0.33
71_D	155_H	0.583	0.33
71_D	134_H	0.583	0.33
80_E	172_A	0.579	0.33
107_S	136_H	0.575	0.32
25_V	97_P	0.573	0.32
46_R	75_A	0.570	0.32
79_P	165_G	0.570	0.32
34_V	47_G	0.569	0.32
26_A	72_V	0.565	0.32
78_A	120_T	0.564	0.31
128_G	176_G	0.563	0.31
66_L	77_G	0.563	0.31
140_S	145_E	0.561	0.31
14_V	58_V	0.561	0.31
161_T	213_N	0.559	0.31
65_R	130_V	0.557	0.31
99_T	114_P	0.555	0.31
24_V	51_R	0.554	0.31
73_G	87_L	0.552	0.31
63_A	114_P	0.547	0.30
94_V	199_V	0.545	0.30
24_V	150_C	0.544	0.30
86_E	159_R	0.543	0.30
35_S	45_G	0.543	0.30
75_A	210_T	0.540	0.30
208_G	220_L	0.539	0.30
25_V	117_V	0.539	0.30
24_V	95_D	0.532	0.29
148_T	212_V	0.530	0.29
13_A	205_D	0.530	0.29
57_L	203_F	0.529	0.29
25_V	68_V	0.528	0.29
76_I	209_G	0.527	0.29
25_V	203_F	0.526	0.29
171_R	200_F	0.525	0.28
18_G	129_D	0.525	0.28
11_P	204_N	0.524	0.28
74_H	200_F	0.519	0.28
52_R	59_R	0.518	0.28
80_E	83_E	0.517	0.28
31_G	158_V	0.516	0.28
58_V	62_G	0.514	0.28
23_L	104_N	0.514	0.28
36_L	77_G	0.514	0.28
101_V	177_P	0.514	0.28
83_E	172_A	0.514	0.28
19_G	86_E	0.513	0.28
129_D	147_E	0.508	0.27
25_V	140_S	0.507	0.27
70_G	103_G	0.504	0.27
103_G	134_H	0.504	0.27
103_G	155_H	0.504	0.27
71_D	103_G	0.504	0.27
159_R	211_W	0.503	0.27
35_S	50_R	0.503	0.27
22_A	146_A	0.500	0.27
128_G	225_P	0.500	0.27

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
1xm7A	1	0.664	99.5	0.794	Contact Map
1su1A	3	0.6964	99.4	0.804	Contact Map
1z2wA	2	0.6883	99.2	0.819	Contact Map
1s3lA	1	0.6154	99.2	0.819	Contact Map
4nzvA	1	0.9109	99.2	0.821	Contact Map
3thoB	2	0.8543	99.2	0.824	Contact Map
2a22A	1	0.7652	99.2	0.825	Contact Map
3d03A	5	0.8097	99.1	0.83	Contact Map
3t1iA	2	0.8502	99.1	0.831	Contact Map
2kknA	1	0.5951	99	0.837	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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