XYNA - BACSU - GREMLIN Contacts

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XYNA - Endo-1,4-beta-xylanase A

UniProt:	P18429	Sequences: MFKFKKNFLVGLSAALMSISLFSATASAASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEYYVVDSWGTYRPTGTYKGTVKSDGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFSNHVNAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVW	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	213 (190)
Sequences:	671 (383)
Seq/√Len:	27.8

BACSU - XYNA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
101_R	147_D	4.414	1.00
128_S	176_N	4.330	1.00
109_V	174_F	4.245	1.00
137_T	154_T	3.918	1.00
123_K	186_M	3.697	1.00
173_T	176_N	3.629	1.00
54_Y	199_T	3.380	1.00
158_S	177_H	3.248	1.00
96_L	172_I	3.197	1.00
86_W	92_G	3.041	1.00
175_S	179_N	2.980	1.00
101_R	193_A	2.858	1.00
134_D	161_Q	2.708	1.00
139_T	154_T	2.668	1.00
123_K	137_T	2.493	0.99
53_N	209_N	2.476	0.99
16_L	19_I	2.462	0.99
174_F	178_V	2.401	0.99
147_D	151_T	2.378	0.99
84_G	210_V	2.324	0.99
131_G	162_S	2.293	0.98
199_T	208_S	2.167	0.98
112_S	165_P	2.005	0.96
74_S	195_Q	1.852	0.94
132_T	161_Q	1.818	0.94
137_T	186_M	1.789	0.93
128_S	173_T	1.771	0.93
79_I	195_Q	1.771	0.93
113_W	117_R	1.667	0.90
26_A	33_Y	1.653	0.90
17_M	20_S	1.643	0.90
24_A	38_T	1.637	0.89
65_V	198_A	1.580	0.88
111_D	172_I	1.580	0.88
135_I	180_A	1.573	0.87
105_I	156_Y	1.573	0.87
79_I	96_L	1.561	0.87
123_K	154_T	1.558	0.87
172_I	197_M	1.538	0.86
56_V	64_F	1.527	0.86
54_Y	208_S	1.524	0.86
135_I	184_H	1.510	0.85
112_S	163_K	1.443	0.82
166_T	210_V	1.437	0.82
110_V	159_V	1.428	0.82
49_G	53_N	1.394	0.80
117_R	134_D	1.391	0.80
116_Y	119_T	1.387	0.80
49_G	209_N	1.387	0.80
182_K	187_N	1.374	0.79
109_V	178_V	1.363	0.79
96_L	197_M	1.359	0.78
56_V	208_S	1.334	0.77
88_P	115_T	1.297	0.75
42_G	61_T	1.264	0.73
119_T	136_Y	1.257	0.73
176_N	179_N	1.247	0.72
17_M	23_S	1.240	0.72
78_T	171_T	1.228	0.71
131_G	161_Q	1.203	0.69
16_L	20_S	1.198	0.69
77_R	195_Q	1.174	0.67
36_N	66_V	1.169	0.67
21_L	25_T	1.164	0.67
122_Y	134_D	1.163	0.67
141_Y	154_T	1.160	0.66
138_T	143_A	1.148	0.66
145_S	152_T	1.134	0.65
67_G	70_W	1.133	0.65
179_N	183_S	1.133	0.65
164_R	167_G	1.130	0.64
42_G	60_N	1.117	0.63
113_W	119_T	1.104	0.63
19_I	25_T	1.099	0.62
180_A	184_H	1.098	0.62
122_Y	136_Y	1.084	0.61
20_S	23_S	1.080	0.61
74_S	175_S	1.069	0.60
92_G	208_S	1.064	0.60
29_A	66_V	1.061	0.59
179_N	182_K	1.053	0.59
21_L	24_A	1.037	0.58
17_M	21_L	1.020	0.56
175_S	195_Q	1.012	0.56
126_V	180_A	0.997	0.55
82_N	211_T	0.996	0.55
35_Q	196_V	0.994	0.54
61_T	203_Q	0.994	0.54
98_G	181_W	0.993	0.54
45_N	89_N	0.988	0.54
58_W	206_G	0.985	0.54
101_R	151_T	0.967	0.52
31_T	34_W	0.956	0.51
75_P	175_S	0.956	0.51
67_G	194_Y	0.955	0.51
82_N	85_V	0.955	0.51
95_T	197_M	0.937	0.50
143_A	151_T	0.930	0.49
58_W	114_G	0.900	0.47
38_T	62_G	0.893	0.47
30_S	49_G	0.890	0.46
132_T	162_S	0.871	0.45
37_W	63_N	0.869	0.45
135_I	158_S	0.867	0.45
36_N	64_F	0.862	0.44
56_V	66_V	0.861	0.44
155_Q	200_E	0.857	0.44
104_L	146_I	0.856	0.44
78_T	159_V	0.853	0.44
81_Y	165_P	0.832	0.42
39_D	63_N	0.830	0.42
73_G	107_Y	0.830	0.42
79_I	172_I	0.827	0.42
42_G	45_N	0.823	0.41
95_T	198_A	0.821	0.41
51_G	211_T	0.819	0.41
87_A	210_V	0.818	0.41
81_Y	166_T	0.818	0.41
97_Y	106_E	0.813	0.41
144_P	152_T	0.808	0.40
114_G	118_P	0.807	0.40
129_D	173_T	0.804	0.40
16_L	24_A	0.800	0.40
29_A	68_K	0.798	0.40
138_T	159_V	0.797	0.39
39_D	62_G	0.789	0.39
44_V	56_V	0.787	0.39
100_T	191_N	0.785	0.39
84_G	87_A	0.783	0.38
90_G	115_T	0.781	0.38
157_W	201_G	0.779	0.38
95_T	138_T	0.777	0.38
156_Y	182_K	0.776	0.38
65_V	194_Y	0.775	0.38
44_V	64_F	0.766	0.37
65_V	153_F	0.765	0.37
95_T	109_V	0.764	0.37
46_A	172_I	0.756	0.37
59_S	205_S	0.755	0.36
18_S	21_L	0.748	0.36
128_S	136_Y	0.747	0.36
108_Y	200_E	0.739	0.35
35_Q	194_Y	0.735	0.35
98_G	107_Y	0.735	0.35
60_N	203_Q	0.728	0.35
126_V	134_D	0.716	0.34
20_S	45_N	0.716	0.34
16_L	21_L	0.706	0.33
70_W	73_G	0.702	0.33
103_P	189_G	0.701	0.33
125_T	161_Q	0.700	0.33
149_D	152_T	0.697	0.32
93_Y	157_W	0.696	0.32
46_A	56_V	0.692	0.32
157_W	202_Y	0.690	0.32
92_G	117_R	0.683	0.31
82_N	210_V	0.682	0.31
138_T	157_W	0.680	0.31
104_L	189_G	0.679	0.31
75_P	179_N	0.679	0.31
41_G	61_T	0.671	0.31
22_F	45_N	0.671	0.31
18_S	43_I	0.670	0.31
26_A	193_A	0.668	0.31
131_G	160_R	0.668	0.31
91_N	202_Y	0.667	0.30
97_Y	155_Q	0.666	0.30
26_A	30_S	0.664	0.30
48_N	56_V	0.664	0.30
145_S	149_D	0.664	0.30
77_R	174_F	0.663	0.30
194_Y	198_A	0.661	0.30
99_W	153_F	0.661	0.30
52_G	75_P	0.658	0.30
71_T	193_A	0.655	0.30
43_I	59_S	0.654	0.30
105_I	186_M	0.651	0.29
107_Y	181_W	0.646	0.29
103_P	111_D	0.646	0.29
102_S	147_D	0.644	0.29
99_W	108_Y	0.643	0.29
148_G	200_E	0.643	0.29
46_A	66_V	0.641	0.29
50_S	53_N	0.641	0.29
116_Y	202_Y	0.638	0.29
197_M	210_V	0.628	0.28
85_V	90_G	0.626	0.28
57_N	207_S	0.623	0.28
127_K	132_T	0.623	0.28
108_Y	148_G	0.623	0.28
23_S	30_S	0.622	0.28
36_N	42_G	0.616	0.27
118_P	159_V	0.615	0.27
93_Y	116_Y	0.615	0.27
81_Y	131_G	0.613	0.27
38_T	42_G	0.610	0.27
87_A	207_S	0.606	0.27
144_P	153_F	0.606	0.27
63_N	203_Q	0.605	0.27
129_D	176_N	0.604	0.27
67_G	196_V	0.604	0.27
106_E	177_H	0.602	0.26
84_G	90_G	0.602	0.26
40_G	43_I	0.602	0.26
18_S	127_K	0.600	0.26
119_T	122_Y	0.599	0.26
201_G	204_S	0.596	0.26
156_Y	187_N	0.595	0.26
21_L	48_N	0.594	0.26
145_S	153_F	0.591	0.26
60_N	142_N	0.590	0.26
174_F	191_N	0.590	0.26
98_G	158_S	0.588	0.26
126_V	176_N	0.585	0.25
27_S	31_T	0.582	0.25
146_I	153_F	0.581	0.25
69_G	99_W	0.580	0.25
100_T	188_L	0.577	0.25
139_T	149_D	0.577	0.25
105_I	188_L	0.572	0.25
32_D	42_G	0.572	0.25
72_T	193_A	0.571	0.25
82_N	209_N	0.569	0.24
67_G	73_G	0.567	0.24
32_D	51_G	0.567	0.24
184_H	187_N	0.565	0.24
37_W	93_Y	0.565	0.24
123_K	127_K	0.564	0.24
25_T	28_A	0.561	0.24
119_T	201_G	0.559	0.24
61_T	109_V	0.557	0.24
112_S	131_G	0.557	0.24
140_R	143_A	0.556	0.24
177_H	181_W	0.555	0.24
73_G	181_W	0.555	0.24
63_N	91_N	0.554	0.24
136_Y	157_W	0.552	0.24
85_V	166_T	0.551	0.23
70_W	198_A	0.550	0.23
36_N	61_T	0.548	0.23
91_N	201_G	0.544	0.23
79_I	197_M	0.542	0.23
26_A	38_T	0.541	0.23
92_G	203_Q	0.538	0.23
109_V	131_G	0.538	0.23
185_G	189_G	0.537	0.23
114_G	117_R	0.537	0.23
63_N	201_G	0.536	0.23
38_T	41_G	0.536	0.23
30_S	51_G	0.534	0.23
27_S	204_S	0.532	0.22
39_D	140_R	0.532	0.22
86_W	203_Q	0.532	0.22
72_T	101_R	0.530	0.22
203_Q	209_N	0.528	0.22
120_G	136_Y	0.526	0.22
75_P	191_N	0.526	0.22
142_N	145_S	0.525	0.22
152_T	155_Q	0.521	0.22
111_D	160_R	0.519	0.22
104_L	145_S	0.517	0.22
44_V	47_V	0.517	0.22
120_G	143_A	0.516	0.22
34_W	42_G	0.516	0.22
64_F	89_N	0.515	0.22
86_W	208_S	0.514	0.22
19_I	56_V	0.514	0.22
41_G	62_G	0.513	0.21
122_Y	128_S	0.512	0.21
56_V	68_K	0.511	0.21
84_G	205_S	0.509	0.21
117_R	120_G	0.509	0.21
66_V	196_V	0.508	0.21
106_E	155_Q	0.507	0.21
78_T	174_F	0.506	0.21
127_K	135_I	0.505	0.21
43_I	61_T	0.505	0.21
82_N	127_K	0.504	0.21
20_S	46_A	0.502	0.21
19_I	23_S	0.502	0.21
70_W	77_R	0.501	0.21
122_Y	125_T	0.501	0.21
66_V	89_N	0.501	0.21
110_V	157_W	0.501	0.21
108_Y	153_F	0.500	0.21

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
2vgdA	1	0.892	100	-0.001	Contact Map
3wp3A	1	0.8779	100	0.034	Contact Map
3mf6A	1	0.8967	100	0.036	Contact Map
1ynaA	1	0.8826	100	0.036	Contact Map
3akqA	1	0.8826	100	0.038	Contact Map
1xnkA	3	0.8873	100	0.043	Contact Map
4ixlA	1	0.8873	100	0.044	Contact Map
3m4fA	1	0.8357	100	0.056	Contact Map
2dckA	1	0.8826	100	0.056	Contact Map
1h4gA	1	0.8873	100	0.073	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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