PHYT - BACSU - GREMLIN Contacts

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PHYT - 3-phytase

UniProt:	P42094	Sequences: MKVPKTMLLSTAAGLLLSLTATSVSAHYVNEEHHFKVTAHTETDPVASGDDAADDPAIWVHEKHPEKSKLITTNKKSGLVVYDLDGKQLHSYEFGKLNNVDLRYDFPLNGEKIDIAAASNRSEGKNTIEVYAIDGDKGKLKSITDPNHPISTNISEVYGFSLYHSQKTGAFYALVTGKQGEFEQYEIVDGGKGYVTGKKVREFKLNSQTEGLVADDEYGNLYIAEEDEAIWKFNAEPGGGSKGQVVDRATGDHLTADIEGLTIYYAPNGKGYLMASSQGNNSYAMYERQGKNRYVANFEITDGEKIDGTSDTDGIDVLGFGLGPKYPYGIFVAQDGENIDNGQAVNQNFKIVSWEQIAQHLGEMPDLHKQVNPRKLKDRSDG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	382 (329)
Sequences:	598 (441)
Seq/√Len:	24.3

BACSU - PHYT

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
103_R	216_D	4.380	1.00
230_I	275_A	4.304	1.00
70_L	351_I	4.110	1.00
170_A	186_E	3.828	1.00
165_S	236_E	3.475	1.00
41_T	326_Y	3.402	1.00
271_G	288_R	3.217	1.00
354_W	358_A	3.137	1.00
83_D	87_K	3.119	1.00
201_R	235_A	3.081	1.00
229_A	258_I	3.013	1.00
261_L	273_L	2.886	1.00
165_S	172_Y	2.673	0.99
162_L	173_A	2.660	0.99
176_T	209_T	2.512	0.99
161_S	212_L	2.484	0.99
247_D	286_Y	2.437	0.98
331_F	357_I	2.424	0.98
40_H	356_Q	2.397	0.98
80_V	88_Q	2.350	0.98
264_Y	319_G	2.344	0.98
312_T	315_I	2.329	0.98
315_I	331_F	2.279	0.97
224_A	258_I	2.247	0.97
230_I	273_L	2.246	0.97
230_I	261_L	2.245	0.97
117_A	128_I	2.226	0.97
261_L	275_A	2.191	0.97
160_F	173_A	2.103	0.96
324_P	327_P	2.075	0.96
184_Q	201_R	2.058	0.95
234_N	240_G	1.987	0.94
217_E	265_Y	1.941	0.94
233_F	243_G	1.890	0.93
330_I	351_I	1.890	0.93
309_T	333_A	1.878	0.92
184_Q	237_P	1.869	0.92
172_Y	184_Q	1.851	0.92
222_Y	292_N	1.819	0.91
61_H	67_K	1.754	0.89
130_V	187_I	1.745	0.89
264_Y	354_W	1.737	0.89
116_A	133_I	1.732	0.89
104_Y	114_D	1.708	0.88
176_T	224_A	1.699	0.88
283_Y	309_T	1.649	0.86
120_N	129_E	1.648	0.86
217_E	288_R	1.641	0.86
235_A	239_G	1.640	0.86
210_E	313_D	1.632	0.86
64_H	67_K	1.609	0.85
109_N	355_E	1.606	0.85
168_T	186_E	1.601	0.85
172_Y	200_V	1.593	0.84
318_L	322_L	1.588	0.84
165_S	168_T	1.579	0.84
105_D	135_G	1.576	0.84
71_I	116_A	1.564	0.83
75_K	313_D	1.561	0.83
176_T	212_L	1.550	0.83
287_E	293_R	1.537	0.82
172_Y	235_A	1.525	0.82
259_E	313_D	1.505	0.81
287_E	295_V	1.502	0.81
39_A	303_G	1.454	0.78
201_R	237_P	1.451	0.78
79_L	100_V	1.448	0.78
106_F	113_I	1.441	0.78
262_T	315_I	1.440	0.78
184_Q	235_A	1.433	0.77
163_Y	235_A	1.429	0.77
162_L	171_F	1.428	0.77
328_Y	355_E	1.419	0.77
300_I	352_V	1.413	0.76
46_V	74_N	1.410	0.76
72_T	349_F	1.409	0.76
243_G	286_Y	1.397	0.75
54_D	278_Q	1.392	0.75
75_K	210_E	1.384	0.75
108_L	113_I	1.378	0.74
74_N	80_V	1.374	0.74
75_K	121_R	1.368	0.74
75_K	259_E	1.351	0.73
99_N	276_S	1.339	0.72
229_A	245_V	1.338	0.72
259_E	278_Q	1.325	0.71
117_A	130_V	1.324	0.71
327_P	353_S	1.322	0.71
210_E	278_Q	1.319	0.71
98_N	313_D	1.315	0.71
120_N	157_V	1.314	0.71
106_F	115_I	1.309	0.70
282_S	299_E	1.309	0.70
213_V	263_I	1.308	0.70
278_Q	313_D	1.302	0.70
83_D	351_I	1.287	0.69
106_F	195_V	1.287	0.69
174_L	182_F	1.276	0.68
210_E	259_E	1.269	0.68
257_D	276_S	1.252	0.67
205_L	243_G	1.247	0.67
99_N	257_D	1.233	0.66
159_G	210_E	1.226	0.65
75_K	278_Q	1.225	0.65
126_N	156_E	1.223	0.65
75_K	98_N	1.223	0.65
98_N	210_E	1.215	0.65
296_A	361_L	1.207	0.64
66_E	324_P	1.205	0.64
99_N	313_D	1.203	0.64
55_D	99_N	1.202	0.64
114_D	133_I	1.191	0.63
115_I	168_T	1.187	0.63
274_M	285_M	1.181	0.62
309_T	331_F	1.178	0.62
128_I	173_A	1.169	0.61
52_A	347_Q	1.163	0.61
44_D	87_K	1.162	0.61
264_Y	317_V	1.159	0.61
277_S	282_S	1.157	0.61
53_A	82_Y	1.153	0.60
184_Q	200_V	1.150	0.60
210_E	276_S	1.143	0.60
98_N	259_E	1.138	0.59
94_F	131_Y	1.135	0.59
46_V	52_A	1.132	0.59
71_I	102_L	1.125	0.58
75_K	99_N	1.124	0.58
257_D	313_D	1.124	0.58
159_G	226_E	1.122	0.58
213_V	261_L	1.113	0.58
35_F	102_L	1.111	0.57
213_V	273_L	1.111	0.57
59_W	73_T	1.101	0.57
68_S	322_L	1.100	0.57
234_N	239_G	1.094	0.56
273_L	286_Y	1.086	0.56
75_K	159_G	1.085	0.56
55_D	101_D	1.083	0.55
103_R	171_F	1.079	0.55
85_D	325_K	1.077	0.55
73_T	98_N	1.077	0.55
62_E	65_P	1.076	0.55
163_Y	172_Y	1.075	0.55
353_S	358_A	1.073	0.55
263_I	317_V	1.071	0.55
226_E	313_D	1.068	0.54
99_N	210_E	1.059	0.54
98_N	278_Q	1.058	0.54
163_Y	236_E	1.053	0.53
134_D	360_H	1.050	0.53
119_S	173_A	1.049	0.53
161_S	225_E	1.049	0.53
210_E	226_E	1.049	0.53
54_D	257_D	1.047	0.53
121_R	313_D	1.046	0.53
274_M	317_V	1.039	0.52
296_A	360_H	1.034	0.52
158_Y	208_Q	1.032	0.52
284_A	294_Y	1.029	0.52
51_D	347_Q	1.026	0.51
46_V	347_Q	1.022	0.51
159_G	313_D	1.022	0.51
117_A	160_F	1.018	0.51
58_I	332_V	1.017	0.51
229_A	256_A	1.012	0.50
117_A	187_I	1.012	0.50
99_N	278_Q	1.011	0.50
353_S	356_Q	1.009	0.50
274_M	312_T	1.006	0.50
275_A	300_I	1.002	0.50
283_Y	315_I	0.997	0.49
294_Y	297_N	0.991	0.49
54_D	313_D	0.991	0.49
277_S	280_N	0.989	0.49
182_F	233_F	0.981	0.48
220_N	232_K	0.978	0.48
117_A	162_L	0.977	0.48
327_P	355_E	0.977	0.48
84_L	330_I	0.975	0.48
54_D	75_K	0.972	0.48
78_G	95_G	0.970	0.47
335_D	350_K	0.967	0.47
99_N	259_E	0.966	0.47
212_L	225_E	0.964	0.47
181_E	202_E	0.963	0.47
158_Y	313_D	0.963	0.47
209_T	224_A	0.962	0.47
276_S	313_D	0.960	0.47
75_K	158_Y	0.957	0.47
54_D	314_G	0.953	0.46
226_E	259_E	0.951	0.46
262_T	317_V	0.951	0.46
69_K	138_G	0.945	0.46
317_V	321_G	0.944	0.46
204_K	207_S	0.944	0.46
85_D	89_L	0.942	0.45
164_H	171_F	0.941	0.45
158_Y	210_E	0.938	0.45
328_Y	358_A	0.937	0.45
284_A	297_N	0.936	0.45
69_K	89_L	0.930	0.45
185_Y	199_K	0.930	0.45
321_G	327_P	0.927	0.44
184_Q	214_A	0.926	0.44
58_I	330_I	0.926	0.44
159_G	259_E	0.922	0.44
75_K	257_D	0.920	0.44
110_G	290_G	0.917	0.44
54_D	210_E	0.916	0.44
200_V	235_A	0.911	0.43
61_H	68_S	0.911	0.43
278_Q	312_T	0.910	0.43
274_M	315_I	0.908	0.43
21_A	24_V	0.908	0.43
60_V	318_L	0.905	0.43
107_P	110_G	0.905	0.43
56_P	99_N	0.899	0.42
119_S	160_F	0.893	0.42
287_E	360_H	0.891	0.42
121_R	210_E	0.888	0.42
52_A	74_N	0.886	0.42
181_E	204_K	0.884	0.41
106_F	171_F	0.883	0.41
48_S	77_S	0.875	0.41
309_T	312_T	0.874	0.41
98_N	158_Y	0.874	0.41
42_E	338_N	0.869	0.40
274_M	354_W	0.868	0.40
55_D	257_D	0.862	0.40
310_S	336_G	0.861	0.40
40_H	131_Y	0.860	0.40
103_R	162_L	0.860	0.40
77_S	129_E	0.860	0.40
55_D	276_S	0.859	0.40
98_N	121_R	0.857	0.40
180_G	209_T	0.850	0.39
24_V	27_H	0.849	0.39
217_E	269_G	0.848	0.39
121_R	158_Y	0.845	0.39
121_R	159_G	0.843	0.39
25_S	33_H	0.842	0.38
226_E	278_Q	0.833	0.38
56_P	259_E	0.832	0.38
257_D	278_Q	0.823	0.37
75_K	276_S	0.817	0.37
121_R	259_E	0.817	0.37
54_D	259_E	0.815	0.37
89_L	116_A	0.815	0.37
54_D	98_N	0.814	0.37
102_L	361_L	0.803	0.36
229_A	349_F	0.799	0.36
311_D	336_G	0.798	0.36
74_N	77_S	0.797	0.35
102_L	164_H	0.795	0.35
108_L	189_D	0.792	0.35
44_D	88_Q	0.790	0.35
159_G	278_Q	0.787	0.35
241_S	357_I	0.787	0.35
158_Y	278_Q	0.786	0.35
30_N	66_E	0.783	0.35
40_H	230_I	0.782	0.35
56_P	278_Q	0.779	0.34
182_F	203_F	0.779	0.34
272_Y	285_M	0.776	0.34
87_K	362_G	0.773	0.34
219_G	326_Y	0.771	0.34
159_G	276_S	0.765	0.33
226_E	276_S	0.763	0.33
134_D	137_K	0.763	0.33
157_V	336_G	0.762	0.33
75_K	226_E	0.758	0.33
61_H	64_H	0.750	0.32
163_Y	214_A	0.749	0.32
186_E	198_K	0.748	0.32
278_Q	314_G	0.743	0.32
56_P	210_E	0.742	0.32
221_L	320_F	0.740	0.32
83_D	113_I	0.739	0.32
315_I	333_A	0.739	0.32
39_A	73_T	0.739	0.32
216_D	265_Y	0.736	0.32
56_P	98_N	0.734	0.31
72_T	129_E	0.733	0.31
210_E	312_T	0.731	0.31
75_K	312_T	0.723	0.31
180_G	347_Q	0.721	0.31
70_L	333_A	0.719	0.31
158_Y	334_Q	0.718	0.30
53_A	334_Q	0.717	0.30
338_N	350_K	0.716	0.30
99_N	121_R	0.715	0.30
182_F	185_Y	0.711	0.30
262_T	316_D	0.710	0.30
52_A	76_K	0.707	0.30
250_T	283_Y	0.706	0.30
222_Y	240_G	0.704	0.30
318_L	330_I	0.703	0.30
355_E	358_A	0.703	0.30
157_V	353_S	0.703	0.30
99_N	159_G	0.701	0.29
150_I	197_G	0.701	0.29
61_H	84_L	0.701	0.29
103_R	164_H	0.701	0.29
220_N	288_R	0.700	0.29
281_N	334_Q	0.698	0.29
271_G	289_Q	0.698	0.29
188_V	196_T	0.698	0.29
111_E	230_I	0.694	0.29
54_D	99_N	0.691	0.29
106_F	189_D	0.687	0.29
259_E	312_T	0.687	0.29
264_Y	358_A	0.685	0.29
102_L	114_D	0.685	0.29
68_S	84_L	0.681	0.28
262_T	346_N	0.679	0.28
210_E	257_D	0.679	0.28
157_V	176_T	0.678	0.28
120_N	127_T	0.677	0.28
158_Y	259_E	0.674	0.28
226_E	312_T	0.673	0.28
28_Y	92_Y	0.672	0.28
134_D	143_I	0.671	0.28
83_D	89_L	0.670	0.28
42_E	350_K	0.668	0.28
135_G	230_I	0.667	0.27
102_L	130_V	0.665	0.27
159_G	314_G	0.665	0.27
253_H	294_Y	0.663	0.27
55_D	313_D	0.663	0.27
51_D	76_K	0.662	0.27
246_V	321_G	0.662	0.27
39_A	300_I	0.660	0.27
86_G	348_N	0.659	0.27
28_Y	31_E	0.658	0.27
88_Q	91_S	0.658	0.27
81_V	140_L	0.658	0.27
222_Y	291_K	0.658	0.27
259_E	314_G	0.656	0.27
280_N	297_N	0.656	0.27
219_G	235_A	0.656	0.27
178_K	225_E	0.655	0.27
75_K	314_G	0.654	0.27
287_E	291_K	0.653	0.27
42_E	211_G	0.652	0.27
70_L	330_I	0.650	0.27
80_V	91_S	0.649	0.26
237_P	240_G	0.647	0.26
304_E	361_L	0.646	0.26
80_V	214_A	0.645	0.26
153_N	179_Q	0.645	0.26
178_K	250_T	0.643	0.26
46_V	53_A	0.643	0.26
217_E	270_K	0.642	0.26
36_K	301_T	0.642	0.26
58_I	318_L	0.640	0.26
163_Y	237_P	0.639	0.26
33_H	70_L	0.638	0.26
131_Y	179_Q	0.637	0.26
54_D	226_E	0.636	0.26
165_S	235_A	0.635	0.26
128_I	263_I	0.634	0.26
63_K	357_I	0.634	0.26
222_Y	273_L	0.632	0.26
72_T	84_L	0.632	0.26
56_P	313_D	0.631	0.25
121_R	278_Q	0.631	0.25
130_V	331_F	0.631	0.25
298_F	335_D	0.630	0.25
225_E	347_Q	0.628	0.25
54_D	158_Y	0.627	0.25
172_Y	203_F	0.627	0.25
55_D	210_E	0.625	0.25
312_T	334_Q	0.624	0.25
165_S	171_F	0.624	0.25
49_G	77_S	0.622	0.25
321_G	324_P	0.620	0.25
26_A	66_E	0.614	0.25
126_N	197_G	0.612	0.24
201_R	240_G	0.611	0.24
33_H	357_I	0.611	0.24
27_H	30_N	0.610	0.24
115_I	130_V	0.610	0.24
65_P	291_K	0.609	0.24
177_G	181_E	0.604	0.24
56_P	276_S	0.603	0.24
43_T	82_Y	0.601	0.24
187_I	197_G	0.600	0.24
163_Y	184_Q	0.600	0.24
272_Y	354_W	0.600	0.24
105_D	111_E	0.598	0.24
98_N	226_E	0.598	0.24
22_T	360_H	0.597	0.24
59_W	313_D	0.597	0.24
280_N	336_G	0.596	0.24
119_S	334_Q	0.593	0.23
208_Q	224_A	0.592	0.23
262_T	270_K	0.592	0.23
73_T	259_E	0.589	0.23
236_E	240_G	0.589	0.23
35_F	70_L	0.589	0.23
105_D	321_G	0.589	0.23
281_N	312_T	0.583	0.23
264_Y	272_Y	0.583	0.23
59_W	312_T	0.582	0.23
159_G	312_T	0.580	0.23
59_W	259_E	0.580	0.23
201_R	214_A	0.578	0.23
107_P	112_K	0.577	0.23
240_G	243_G	0.577	0.23
56_P	75_K	0.576	0.23
244_Q	258_I	0.575	0.23
169_G	186_E	0.574	0.23
127_T	157_V	0.574	0.23
46_V	51_D	0.573	0.22
98_N	276_S	0.571	0.22
302_D	308_G	0.570	0.22
249_A	254_L	0.569	0.22
98_N	159_G	0.568	0.22
267_P	270_K	0.568	0.22
51_D	225_E	0.568	0.22
262_T	274_M	0.566	0.22
198_K	293_R	0.566	0.22
257_D	260_G	0.565	0.22
99_N	158_Y	0.563	0.22
84_L	322_L	0.563	0.22
37_V	356_Q	0.562	0.22
259_E	276_S	0.562	0.22
73_T	99_N	0.562	0.22
105_D	110_G	0.560	0.22
182_F	223_I	0.560	0.22
96_K	122_S	0.560	0.22
210_E	314_G	0.559	0.22
37_V	285_M	0.559	0.22
58_I	257_D	0.559	0.22
243_G	246_V	0.557	0.22
120_N	185_Y	0.557	0.22
318_L	323_G	0.552	0.21
143_I	186_E	0.549	0.21
70_L	302_D	0.549	0.21
62_E	66_E	0.546	0.21
41_T	70_L	0.544	0.21
184_Q	240_G	0.542	0.21
257_D	314_G	0.541	0.21
97_L	129_E	0.540	0.21
322_L	327_P	0.540	0.21
42_E	71_I	0.539	0.21
165_S	200_V	0.535	0.21
254_L	258_I	0.533	0.21
230_I	300_I	0.533	0.21
108_L	187_I	0.531	0.20
155_S	283_Y	0.530	0.20
203_F	349_F	0.530	0.20
106_F	198_K	0.530	0.20
115_I	187_I	0.529	0.20
52_A	177_G	0.529	0.20
99_N	226_E	0.529	0.20
100_V	315_I	0.527	0.20
209_T	223_I	0.526	0.20
118_A	131_Y	0.526	0.20
117_A	173_A	0.526	0.20
52_A	82_Y	0.525	0.20
333_A	352_V	0.525	0.20
261_L	331_F	0.525	0.20
203_F	233_F	0.522	0.20
223_I	349_F	0.521	0.20
246_V	273_L	0.519	0.20
34_H	282_S	0.519	0.20
99_N	312_T	0.518	0.20
54_D	159_G	0.517	0.20
168_T	172_Y	0.516	0.20
23_S	27_H	0.515	0.20
73_T	278_Q	0.515	0.20
132_A	194_Y	0.515	0.20
194_Y	256_A	0.514	0.20
43_T	219_G	0.514	0.20
184_Q	236_E	0.514	0.20
55_D	98_N	0.512	0.20
130_V	194_Y	0.512	0.20
54_D	260_G	0.512	0.20
84_L	349_F	0.509	0.19
21_A	27_H	0.509	0.19
53_A	279_G	0.509	0.19
21_A	29_V	0.509	0.19
252_D	268_N	0.506	0.19
208_Q	336_G	0.505	0.19
179_Q	252_D	0.504	0.19
260_G	278_Q	0.504	0.19
324_P	330_I	0.504	0.19
60_V	104_Y	0.503	0.19
97_L	347_Q	0.502	0.19
77_S	119_S	0.501	0.19
182_F	209_T	0.500	0.19
261_L	315_I	0.500	0.19

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
3amrA	1	0.9215	100	0.103	Contact Map
3qqzA	1	0.5864	98.8	0.908	Contact Map
3sreA	1	0.7513	98.6	0.912	Contact Map
1npeA	1	0.6675	98.6	0.913	Contact Map
3vgzA	1	0.7225	98.6	0.914	Contact Map
4a0pA	1	0.6623	98.5	0.915	Contact Map
1ri6A	1	0.7199	98.4	0.92	Contact Map
1ijqA	1	0.6702	98.3	0.921	Contact Map
1q7fA	1	0.7173	98.3	0.922	Contact Map
3fvzA	1	0.7408	98.3	0.922	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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