PHEA - BACSU - GREMLIN Contacts

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PHEA - Prephenate dehydratase

UniProt:	P21203	Sequences: MKVGYLGPAATFTHLAVSSCFQNGAEHVAYRTIPECIDAAVAGEVDFAFVPLENALEGSVNLTIDYLIHEQPLPIVGEMTLPIHQHLLVHPSRENAWKELDKIYSHSHAIAQCHKFLHRHFPSVPYEYANSTGAAAKFVSDHPELNIGVIANDMAASTYELKIVKRDIQDYRDNHTRFVILSPDENISFEVNSKLSSRPKTTLMVMLPQDDQSGALHRVLSAFSWRNLNLSKIESRPTKTGLGHYFFIIDIEKAFDDVLIPGAMQELEALGCKVRLLGAYQSYQL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	285 (264)
Sequences:	3626 (2443)
Seq/√Len:	150.3

ECOLI - PHEA
BACSU - PHEA
HALSA - Q9HN73
SULSO - Q980P2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
153_D	166_R	3.411	1.00
4_G	45_V	3.134	1.00
105_S	132_T	2.887	1.00
137_K	141_D	2.778	1.00
36_C	48_A	2.705	1.00
101_D	146_N	2.626	1.00
88_L	151_A	2.578	1.00
92_S	162_K	2.556	1.00
100_L	148_G	2.543	1.00
12_F	85_Q	2.516	1.00
150_I	168_I	2.499	1.00
102_K	125_P	2.440	1.00
156_A	163_I	2.438	1.00
205_V	249_I	2.413	1.00
88_L	136_A	2.404	1.00
136_A	161_L	2.179	1.00
84_H	167_D	2.124	1.00
251_I	260_I	2.113	1.00
226_R	262_G	2.090	1.00
65_D	236_R	2.066	1.00
203_L	251_I	2.046	1.00
134_A	137_K	2.034	1.00
30_Y	39_A	2.014	1.00
201_T	279_A	2.006	1.00
217_H	221_S	2.005	1.00
4_G	30_Y	1.957	1.00
109_A	132_T	1.941	1.00
102_K	127_E	1.926	1.00
221_S	225_W	1.911	1.00
265_Q	268_E	1.904	1.00
116_F	165_K	1.889	1.00
75_I	179_V	1.876	1.00
116_F	120_H	1.872	1.00
202_T	250_D	1.861	1.00
17_V	27_H	1.853	1.00
114_H	170_D	1.852	1.00
219_V	267_L	1.843	1.00
93_R	99_E	1.818	1.00
5_Y	29_A	1.807	1.00
225_W	266_E	1.785	1.00
223_F	230_L	1.761	1.00
76_V	182_S	1.739	1.00
211_D	229_N	1.739	1.00
84_H	169_Q	1.718	1.00
212_Q	218_R	1.705	1.00
90_H	143_P	1.697	1.00
229_N	252_E	1.694	1.00
2_K	26_E	1.682	1.00
6_L	131_S	1.669	1.00
202_T	280_Y	1.664	1.00
14_H	154_M	1.647	1.00
113_C	150_I	1.646	1.00
85_Q	108_H	1.635	1.00
103_I	124_V	1.619	1.00
52_L	179_V	1.618	1.00
105_S	110_I	1.584	1.00
104_Y	147_I	1.563	1.00
91_P	162_K	1.561	1.00
5_Y	9_A	1.547	1.00
89_V	162_K	1.542	1.00
253_K	260_I	1.528	1.00
250_D	280_Y	1.526	1.00
40_A	73_L	1.501	1.00
11_T	133_G	1.487	1.00
43_G	183_P	1.479	1.00
15_L	154_M	1.475	1.00
89_V	93_R	1.460	1.00
14_H	18_S	1.456	1.00
89_V	164_V	1.454	1.00
6_L	13_T	1.442	1.00
226_R	266_E	1.430	1.00
88_L	156_A	1.421	1.00
110_I	126_Y	1.420	1.00
50_V	63_T	1.381	1.00
15_L	19_S	1.379	1.00
153_D	157_S	1.377	1.00
21_F	180_I	1.365	1.00
82_P	169_Q	1.363	1.00
104_Y	127_E	1.350	1.00
40_A	48_A	1.334	1.00
115_K	170_D	1.317	1.00
37_I	181_L	1.295	1.00
205_V	219_V	1.294	1.00
37_I	50_V	1.294	1.00
74_P	185_E	1.290	1.00
9_A	158_T	1.285	1.00
38_D	42_A	1.284	1.00
218_R	224_S	1.284	1.00
8_P	131_S	1.272	1.00
110_I	128_Y	1.269	1.00
57_E	111_A	1.237	1.00
130_N	134_A	1.237	1.00
237_P	245_Y	1.235	1.00
41_V	71_Q	1.227	1.00
9_A	14_H	1.226	1.00
142_H	146_N	1.205	1.00
33_I	63_T	1.192	1.00
12_F	152_N	1.184	1.00
238_T	246_F	1.183	1.00
230_L	251_I	1.178	1.00
86_H	153_D	1.173	1.00
6_L	11_T	1.164	1.00
253_K	257_D	1.162	1.00
102_K	147_I	1.160	1.00
206_M	273_K	1.159	1.00
48_A	181_L	1.158	1.00
78_E	200_K	1.155	1.00
103_I	117_L	1.155	1.00
100_L	124_V	1.148	1.00
222_A	266_E	1.141	1.00
241_G	244_H	1.135	1.00
85_Q	109_A	1.123	0.99
28_V	45_V	1.117	0.99
116_F	168_I	1.111	0.99
139_V	142_H	1.111	0.99
19_S	79_M	1.106	0.99
101_D	125_P	1.106	0.99
18_S	154_M	1.106	0.99
207_L	215_A	1.100	0.99
199_P	254_A	1.100	0.99
49_F	180_I	1.096	0.99
39_A	45_V	1.091	0.99
129_A	135_A	1.083	0.99
258_V	262_G	1.078	0.99
75_I	280_Y	1.075	0.99
139_V	149_V	1.066	0.99
86_H	163_I	1.061	0.99
104_Y	129_A	1.059	0.99
20_C	180_I	1.057	0.99
39_A	44_E	1.057	0.99
118_H	126_Y	1.054	0.99
142_H	147_I	1.049	0.99
196_S	199_P	1.048	0.99
93_R	162_K	1.044	0.99
87_L	168_I	1.038	0.99
22_Q	25_A	1.033	0.99
17_V	49_F	1.029	0.99
88_L	161_L	1.025	0.99
2_K	28_V	1.021	0.99
80_T	175_H	1.017	0.99
120_H	124_V	1.016	0.99
93_R	98_K	1.008	0.99
85_Q	113_C	1.002	0.99
211_D	244_H	0.992	0.99
138_F	142_H	0.991	0.99
88_L	163_I	0.990	0.99
208_P	212_Q	0.985	0.99
40_A	45_V	0.984	0.99
60_V	108_H	0.983	0.99
86_H	167_D	0.978	0.99
47_F	76_V	0.967	0.98
41_V	72_P	0.965	0.98
20_C	77_G	0.963	0.98
214_G	229_N	0.961	0.98
3_V	21_F	0.958	0.98
223_F	263_A	0.956	0.98
207_L	219_V	0.952	0.98
131_S	134_A	0.951	0.98
46_D	183_P	0.950	0.98
87_L	148_G	0.945	0.98
57_E	60_V	0.944	0.98
117_L	124_V	0.943	0.98
86_H	166_R	0.938	0.98
28_V	39_A	0.933	0.98
134_A	138_F	0.928	0.98
8_P	11_T	0.923	0.98
135_A	149_V	0.923	0.98
252_E	282_S	0.923	0.98
30_Y	44_E	0.922	0.98
11_T	131_S	0.920	0.98
271_G	274_V	0.909	0.98
222_A	226_R	0.907	0.98
59_S	234_E	0.906	0.98
14_H	27_H	0.901	0.98
223_F	267_L	0.899	0.98
40_A	181_L	0.890	0.97
64_I	232_K	0.890	0.97
13_T	51_P	0.887	0.97
199_P	279_A	0.882	0.97
21_F	47_F	0.880	0.97
205_V	271_G	0.877	0.97
32_T	35_E	0.866	0.97
4_G	36_C	0.863	0.97
91_P	160_E	0.857	0.97
59_S	232_K	0.856	0.97
34_P	118_H	0.855	0.97
5_Y	27_H	0.852	0.97
37_I	48_A	0.851	0.97
129_A	138_F	0.848	0.96
37_I	73_L	0.847	0.96
154_M	157_S	0.844	0.96
2_K	46_D	0.839	0.96
136_A	151_A	0.835	0.96
151_A	155_A	0.833	0.96
153_D	163_I	0.829	0.96
218_R	221_S	0.821	0.96
226_R	263_A	0.821	0.96
77_G	180_I	0.818	0.96
115_K	119_R	0.813	0.96
34_P	69_H	0.813	0.96
35_E	118_H	0.812	0.95
99_E	146_N	0.811	0.95
218_R	270_L	0.809	0.95
234_E	250_D	0.806	0.95
67_L	179_V	0.796	0.95
214_G	247_F	0.795	0.95
97_W	165_K	0.788	0.95
34_P	38_D	0.783	0.94
137_K	159_Y	0.776	0.94
222_A	270_L	0.772	0.94
73_L	181_L	0.772	0.94
51_P	132_T	0.771	0.94
197_S	281_Q	0.767	0.94
214_G	235_S	0.765	0.94
185_E	255_F	0.763	0.94
201_T	276_L	0.763	0.94
71_Q	275_R	0.763	0.94
201_T	253_K	0.760	0.94
85_Q	152_N	0.746	0.93
89_V	148_G	0.746	0.93
117_L	126_Y	0.744	0.93
90_H	142_H	0.743	0.93
202_T	248_I	0.743	0.93
254_A	279_A	0.741	0.93
232_K	250_D	0.741	0.93
206_M	246_F	0.739	0.93
199_P	281_Q	0.735	0.92
253_K	279_A	0.735	0.92
57_E	108_H	0.733	0.92
12_F	108_H	0.732	0.92
30_Y	45_V	0.731	0.92
207_L	233_I	0.728	0.92
85_Q	174_N	0.728	0.92
85_Q	150_I	0.727	0.92
228_L	251_I	0.727	0.92
12_F	86_H	0.726	0.92
97_W	116_F	0.724	0.92
92_S	99_E	0.721	0.92
196_S	254_A	0.720	0.92
74_P	184_D	0.715	0.91
240_T	244_H	0.714	0.91
136_A	140_S	0.710	0.91
72_P	275_R	0.707	0.91
115_K	118_H	0.706	0.91
69_H	115_K	0.698	0.90
89_V	146_N	0.697	0.90
4_G	39_A	0.696	0.90
33_I	66_Y	0.694	0.90
47_F	180_I	0.692	0.90
197_S	254_A	0.690	0.90
104_Y	138_F	0.687	0.90
34_P	62_L	0.682	0.89
59_S	250_D	0.682	0.89
6_L	133_G	0.678	0.89
260_I	264_M	0.677	0.89
107_S	128_Y	0.677	0.89
119_R	165_K	0.676	0.89
35_E	38_D	0.674	0.89
120_H	123_S	0.673	0.89
237_P	243_G	0.670	0.88
255_F	264_M	0.669	0.88
60_V	111_A	0.668	0.88
78_E	177_R	0.666	0.88
261_P	265_Q	0.663	0.88
75_I	202_T	0.661	0.88
53_E	245_Y	0.661	0.88
89_V	92_S	0.659	0.88
203_L	264_M	0.659	0.88
230_L	249_I	0.659	0.88
103_I	110_I	0.659	0.88
68_I	246_F	0.657	0.88
13_T	131_S	0.653	0.87
216_L	229_N	0.653	0.87
204_M	246_F	0.653	0.87
38_D	41_V	0.650	0.87
93_R	164_V	0.650	0.87
140_S	160_E	0.642	0.86
2_K	44_E	0.640	0.86
133_G	136_A	0.640	0.86
83_I	152_N	0.639	0.86
139_V	143_P	0.637	0.86
21_F	77_G	0.635	0.86
97_W	164_V	0.632	0.85
75_I	277_L	0.632	0.85
169_Q	172_R	0.630	0.85
68_I	204_M	0.625	0.85
257_D	279_A	0.625	0.85
120_H	165_K	0.623	0.85
90_H	93_R	0.621	0.84
6_L	33_I	0.620	0.84
10_A	158_T	0.617	0.84
266_E	270_L	0.614	0.84
33_I	50_V	0.614	0.84
54_N	112_Q	0.611	0.83
259_L	262_G	0.610	0.83
93_R	146_N	0.610	0.83
235_S	245_Y	0.610	0.83
3_V	25_A	0.609	0.83
65_D	237_P	0.608	0.83
201_T	254_A	0.607	0.83
117_L	150_I	0.606	0.83
140_S	143_P	0.605	0.83
102_K	146_N	0.605	0.83
138_F	141_D	0.603	0.83
201_T	251_I	0.603	0.83
182_S	185_E	0.602	0.83
130_N	137_K	0.602	0.83
20_C	79_M	0.601	0.82
51_P	108_H	0.599	0.82
16_A	79_M	0.593	0.82
97_W	100_L	0.592	0.82
260_I	279_A	0.592	0.82
254_A	260_I	0.591	0.81
251_I	263_A	0.590	0.81
256_D	259_L	0.587	0.81
205_V	274_V	0.586	0.81
6_L	134_A	0.585	0.81
154_M	158_T	0.584	0.81
256_D	261_P	0.583	0.81
102_K	142_H	0.580	0.80
8_P	137_K	0.579	0.80
116_F	124_V	0.579	0.80
255_F	276_L	0.579	0.80
55_A	108_H	0.578	0.80
230_L	247_F	0.574	0.80
221_S	224_S	0.574	0.80
132_T	152_N	0.573	0.79
255_F	279_A	0.573	0.79
80_T	242_L	0.573	0.79
31_R	35_E	0.571	0.79
82_P	175_H	0.570	0.79
99_E	102_K	0.570	0.79
204_M	275_R	0.569	0.79
229_N	247_F	0.567	0.79
230_L	233_I	0.567	0.79
15_L	18_S	0.567	0.79
33_I	62_L	0.567	0.79
13_T	62_L	0.563	0.78
67_L	204_M	0.563	0.78
37_I	248_I	0.563	0.78
129_A	134_A	0.560	0.78
85_Q	112_Q	0.559	0.78
56_L	171_Y	0.556	0.77
84_H	153_D	0.554	0.77
200_K	250_D	0.553	0.77
155_A	159_Y	0.552	0.77
19_S	81_L	0.552	0.77
9_A	29_A	0.551	0.77
219_V	271_G	0.548	0.76
220_L	230_L	0.548	0.76
79_M	180_I	0.547	0.76
13_T	63_T	0.546	0.76
62_L	114_H	0.545	0.76
235_S	247_F	0.545	0.76
106_H	220_L	0.544	0.76
103_I	126_Y	0.540	0.75
206_M	238_T	0.539	0.75
15_L	81_L	0.539	0.75
268_E	274_V	0.539	0.75
30_Y	35_E	0.538	0.75
216_L	247_F	0.538	0.75
11_T	33_I	0.537	0.75
8_P	134_A	0.535	0.75
9_A	137_K	0.534	0.75
119_R	262_G	0.534	0.75
140_S	161_L	0.533	0.74
29_A	131_S	0.530	0.74
14_H	62_L	0.528	0.74
214_G	230_L	0.526	0.73
254_A	281_Q	0.525	0.73
216_L	233_I	0.522	0.73
215_A	218_R	0.518	0.72
12_F	83_I	0.517	0.72
78_E	250_D	0.516	0.72
254_A	261_P	0.516	0.72
90_H	146_N	0.515	0.72
218_R	269_A	0.515	0.72
198_R	282_S	0.514	0.72
217_H	224_S	0.513	0.72
229_N	235_S	0.512	0.71
86_H	108_H	0.512	0.71
254_A	257_D	0.512	0.71
219_V	222_A	0.511	0.71
182_S	186_N	0.510	0.71
238_T	244_H	0.509	0.71
51_P	63_T	0.508	0.71
105_S	109_A	0.507	0.71
56_L	108_H	0.507	0.71
88_L	159_Y	0.505	0.70
187_I	256_D	0.504	0.70
21_F	243_G	0.504	0.70
116_F	122_P	0.503	0.70
230_L	245_Y	0.502	0.70
37_I	71_Q	0.502	0.70
156_A	160_E	0.500	0.70
15_L	85_Q	0.500	0.70

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
2qmxA	3	0.9649	100	0.039	Contact Map
3mwbA	3	0.9719	100	0.04	Contact Map
4lubA	2	0.6667	100	0.042	Contact Map
3luyA	2	0.9684	100	0.068	Contact Map
2qmwA	2	0.9228	100	0.082	Contact Map
1phzA	2	0.3439	99.9	0.729	Contact Map
2mdaA	2	0.3193	99.9	0.762	Contact Map
2ko1A	2	0.2912	97.4	0.914	Contact Map
2lvwA	2	0.3123	96.8	0.922	Contact Map
1zpvA	3	0.2877	96.4	0.925	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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