MHPD - ECOLI - GREMLIN Contacts

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MHPD - 2-keto-4-pentenoate hydratase

UniProt:	P77608	Sequences: MTKHTLEQLAADLRRAAEQGEAIAPLRDLIGIDNAEAAYAIQHINVQHDVAQGRRVVGRKVGLTHPKVQQQLGVDQPDFGTLFADMCYGDNEIIPFSRVLQPRIEAEIALVLNRDLPATDITFDELYNAIEWVLPALEVVGSRIRDWSIQFVDTVADNASCGVYVIGGPAQRPAGLDLKNCAMKMTRNNEEVSSGRGSECLGHPLNAAVWLARKMASLGEPLRTGDIILTGALGPMVAVNAGDRFEAHIEGIGSVAATFSSAAPKGSLS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG14274
Length:	269 (255)
Sequences:	2481 (1733)
Seq/√Len:	108.5

ECOLI - MHPD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
115_D	223_R	4.529	1.00
54_R	85_D	3.976	1.00
188_N	243_D	3.762	1.00
12_D	29_L	3.641	1.00
34_N	37_A	3.625	1.00
11_A	48_H	3.556	1.00
113_N	131_E	3.414	1.00
109_A	136_A	3.029	1.00
44_I	47_Q	2.966	1.00
66_P	70_Q	2.851	1.00
112_L	222_L	2.844	1.00
115_D	224_T	2.805	1.00
87_C	164_Y	2.488	1.00
110_L	230_T	2.469	1.00
15_R	19_Q	2.410	1.00
99_V	163_V	2.333	1.00
57_V	164_Y	2.215	1.00
115_D	221_P	2.139	1.00
223_R	226_D	2.137	1.00
11_A	15_R	2.132	1.00
46_V	83_F	2.105	1.00
54_R	84_A	2.051	1.00
187_R	245_F	2.047	1.00
24_A	145_R	2.046	1.00
182_A	194_S	2.020	1.00
50_V	56_V	1.999	1.00
116_L	129_A	1.942	1.00
104_I	137_L	1.939	1.00
130_I	208_A	1.901	1.00
191_E	194_S	1.866	1.00
114_R	128_N	1.862	1.00
186_T	248_H	1.839	1.00
106_A	247_A	1.760	1.00
122_T	125_E	1.757	1.00
43_H	220_E	1.754	1.00
246_E	256_A	1.736	1.00
184_K	191_E	1.716	1.00
93_I	258_T	1.710	1.00
49_D	54_R	1.668	1.00
14_R	52_Q	1.627	1.00
17_A	49_D	1.601	1.00
248_H	254_S	1.590	1.00
14_R	48_H	1.588	1.00
111_V	132_W	1.586	1.00
239_V	259_F	1.575	1.00
36_E	218_L	1.567	1.00
182_A	196_R	1.555	1.00
246_E	254_S	1.551	1.00
184_K	194_S	1.525	1.00
111_V	134_L	1.517	1.00
88_Y	163_V	1.510	1.00
57_V	87_C	1.494	1.00
55_R	84_A	1.485	1.00
95_P	98_R	1.485	1.00
90_D	168_G	1.474	1.00
14_R	45_N	1.472	1.00
239_V	245_F	1.470	1.00
184_K	248_H	1.402	1.00
7_E	44_I	1.401	1.00
186_T	191_E	1.397	1.00
119_T	213_R	1.388	1.00
6_L	44_I	1.383	1.00
120_D	213_R	1.372	1.00
126_L	209_V	1.362	1.00
96_F	241_A	1.340	1.00
56_V	81_T	1.339	1.00
12_D	23_I	1.338	1.00
186_T	246_E	1.326	0.99
117_P	221_P	1.320	0.99
205_L	209_V	1.284	0.99
123_F	209_V	1.283	0.99
125_E	128_N	1.282	0.99
110_L	208_A	1.281	0.99
143_R	157_D	1.280	0.99
9_L	12_D	1.274	0.99
123_F	206_N	1.273	0.99
244_R	256_A	1.268	0.99
49_D	84_A	1.260	0.99
89_G	92_E	1.260	0.99
18_E	52_Q	1.258	0.99
244_R	258_T	1.254	0.99
35_A	155_V	1.243	0.99
100_L	141_G	1.238	0.99
88_Y	95_P	1.238	0.99
43_H	218_L	1.236	0.99
187_R	243_D	1.235	0.99
99_V	141_G	1.232	0.99
78_D	154_T	1.224	0.99
109_A	227_I	1.223	0.99
185_M	247_A	1.222	0.99
214_K	217_S	1.208	0.99
88_Y	92_E	1.204	0.99
180_N	196_R	1.189	0.99
120_D	216_A	1.187	0.99
108_I	233_L	1.184	0.99
111_V	131_E	1.180	0.99
181_C	249_I	1.179	0.99
76_Q	214_K	1.165	0.99
88_Y	94_I	1.164	0.99
165_V	255_V	1.158	0.99
135_P	167_G	1.155	0.99
14_R	18_E	1.146	0.98
121_I	213_R	1.143	0.98
16_A	23_I	1.138	0.98
166_I	227_I	1.129	0.98
112_L	228_I	1.128	0.98
118_A	121_I	1.117	0.98
97_S	241_A	1.115	0.98
90_D	256_A	1.111	0.98
134_L	170_A	1.107	0.98
182_A	250_E	1.106	0.98
183_M	234_G	1.105	0.98
104_I	245_F	1.091	0.98
177_D	180_N	1.088	0.98
54_R	83_F	1.080	0.98
9_L	26_L	1.073	0.98
193_S	235_P	1.062	0.98
117_P	121_I	1.048	0.97
248_H	251_G	1.046	0.97
124_D	128_N	1.045	0.97
142_S	160_S	1.045	0.97
126_L	208_A	1.040	0.97
171_Q	175_G	1.035	0.97
5_T	8_Q	1.027	0.97
150_Q	153_D	1.025	0.97
43_H	47_Q	1.023	0.97
151_F	155_V	1.018	0.97
7_E	11_A	1.013	0.97
111_V	227_I	1.011	0.97
69_Q	210_W	1.003	0.96
137_L	247_A	0.992	0.96
130_I	205_L	0.988	0.96
47_Q	51_A	0.978	0.96
172_R	175_G	0.973	0.96
9_L	30_I	0.959	0.95
112_L	130_I	0.958	0.95
86_M	161_C	0.957	0.95
181_C	251_G	0.952	0.95
132_W	170_A	0.944	0.95
108_I	249_I	0.940	0.95
132_W	169_P	0.939	0.95
59_R	226_D	0.935	0.95
247_A	255_V	0.935	0.95
182_A	198_S	0.932	0.95
33_D	152_V	0.931	0.95
9_L	29_L	0.924	0.94
68_V	236_M	0.918	0.94
78_D	159_A	0.917	0.94
68_V	154_T	0.916	0.94
112_L	224_T	0.914	0.94
27_R	148_S	0.912	0.94
5_T	9_L	0.912	0.94
134_L	166_I	0.910	0.94
127_Y	203_H	0.909	0.94
8_Q	11_A	0.905	0.94
43_H	81_T	0.903	0.94
208_A	230_T	0.900	0.94
106_A	183_M	0.896	0.93
132_W	135_P	0.895	0.93
56_V	226_D	0.885	0.93
159_A	162_G	0.883	0.93
82_L	87_C	0.881	0.93
240_N	243_D	0.872	0.93
208_A	228_I	0.871	0.92
24_A	28_D	0.870	0.92
126_L	130_I	0.868	0.92
154_T	160_S	0.863	0.92
15_R	21_E	0.861	0.92
63_L	69_Q	0.858	0.92
114_R	224_T	0.857	0.92
35_A	151_F	0.851	0.92
200_C	207_A	0.849	0.92
164_Y	227_I	0.841	0.91
164_Y	229_L	0.841	0.91
36_E	40_A	0.837	0.91
101_Q	147_W	0.833	0.91
8_Q	12_D	0.831	0.91
79_F	214_K	0.829	0.91
186_T	189_N	0.827	0.90
203_H	206_N	0.824	0.90
193_S	237_V	0.822	0.90
38_A	152_V	0.822	0.90
178_L	197_G	0.821	0.90
94_I	163_V	0.820	0.90
76_Q	151_F	0.819	0.90
33_D	37_A	0.815	0.90
209_V	213_R	0.809	0.89
127_Y	130_I	0.806	0.89
82_L	86_M	0.805	0.89
181_C	197_G	0.804	0.89
5_T	30_I	0.800	0.89
78_D	144_I	0.797	0.89
27_R	150_Q	0.796	0.89
15_R	18_E	0.791	0.88
77_P	210_W	0.791	0.88
98_R	163_V	0.790	0.88
180_N	198_S	0.787	0.88
103_R	236_M	0.787	0.88
22_A	145_R	0.783	0.88
106_A	197_G	0.783	0.88
233_L	249_I	0.779	0.88
10_A	44_I	0.777	0.87
36_E	217_S	0.776	0.87
68_V	140_V	0.772	0.87
194_S	199_E	0.768	0.87
214_K	218_L	0.766	0.87
81_T	220_E	0.765	0.87
81_T	158_N	0.763	0.87
70_Q	73_G	0.760	0.86
127_Y	205_L	0.757	0.86
106_A	234_G	0.755	0.86
121_I	126_L	0.755	0.86
125_E	130_I	0.755	0.86
60_K	138_E	0.755	0.86
94_I	257_A	0.752	0.86
80_G	158_N	0.751	0.86
179_K	203_H	0.750	0.86
130_I	209_V	0.746	0.85
128_N	132_W	0.745	0.85
137_L	257_A	0.741	0.85
187_R	240_N	0.739	0.85
200_C	230_T	0.736	0.84
68_V	235_P	0.734	0.84
46_V	50_V	0.726	0.84
105_E	138_E	0.724	0.84
57_V	227_I	0.714	0.83
46_V	81_T	0.711	0.82
200_C	233_L	0.709	0.82
133_V	178_L	0.708	0.82
11_A	44_I	0.707	0.82
60_K	105_E	0.707	0.82
109_A	229_L	0.705	0.82
108_I	197_G	0.704	0.82
82_L	161_C	0.703	0.82
147_W	162_G	0.702	0.82
82_L	164_Y	0.702	0.82
117_P	223_R	0.699	0.81
104_I	239_V	0.697	0.81
140_V	236_M	0.695	0.81
173_P	205_L	0.692	0.81
112_L	116_L	0.691	0.81
137_L	245_F	0.688	0.80
189_N	246_E	0.687	0.80
61_V	207_A	0.686	0.80
221_P	224_T	0.685	0.80
206_N	209_V	0.683	0.80
94_I	139_V	0.680	0.80
57_V	84_A	0.678	0.79
10_A	45_N	0.677	0.79
200_C	232_A	0.669	0.78
87_C	227_I	0.667	0.78
154_T	159_A	0.665	0.78
125_E	209_V	0.664	0.78
144_I	149_I	0.664	0.78
72_L	101_Q	0.663	0.78
108_I	252_I	0.661	0.78
67_K	199_E	0.660	0.77
68_V	78_D	0.659	0.77
13_L	23_I	0.659	0.77
189_N	244_R	0.655	0.77
112_L	129_A	0.650	0.76
193_S	234_G	0.649	0.76
104_I	259_F	0.647	0.76
144_I	147_W	0.644	0.76
185_M	234_G	0.643	0.76
135_P	255_V	0.638	0.75
134_L	169_P	0.634	0.75
104_I	257_A	0.633	0.75
72_L	147_W	0.631	0.74
141_G	162_G	0.630	0.74
55_R	226_D	0.629	0.74
129_A	212_A	0.628	0.74
88_Y	98_R	0.628	0.74
30_I	37_A	0.626	0.74
48_H	52_Q	0.623	0.73
66_P	69_Q	0.623	0.73
90_D	93_I	0.623	0.73
10_A	41_I	0.621	0.73
61_V	159_A	0.619	0.73
165_V	257_A	0.618	0.73
8_Q	21_E	0.616	0.73
182_A	186_T	0.614	0.72
135_P	253_G	0.613	0.72
48_H	51_A	0.606	0.71
25_P	149_I	0.602	0.71
123_F	203_H	0.601	0.71
26_L	29_L	0.601	0.71
82_L	227_I	0.600	0.71
33_D	41_I	0.599	0.70
11_A	14_R	0.598	0.70
111_V	169_P	0.598	0.70
212_A	222_L	0.596	0.70
142_S	157_D	0.595	0.70
22_A	101_Q	0.591	0.69
30_I	33_D	0.590	0.69
77_P	211_L	0.588	0.69
20_G	98_R	0.585	0.69
68_V	72_L	0.585	0.69
91_N	256_A	0.585	0.69
23_I	29_L	0.584	0.69
40_A	218_L	0.584	0.69
210_W	214_K	0.583	0.68
44_I	48_H	0.582	0.68
61_V	64_T	0.580	0.68
41_I	45_N	0.577	0.68
109_A	134_L	0.577	0.68
78_D	149_I	0.577	0.68
46_V	56_V	0.576	0.67
215_M	228_I	0.576	0.67
112_L	226_D	0.575	0.67
62_G	140_V	0.575	0.67
99_V	139_V	0.574	0.67
8_Q	29_L	0.572	0.67
42_Q	143_R	0.570	0.67
195_G	201_L	0.570	0.67
74_V	160_S	0.569	0.67
96_F	99_V	0.567	0.66
73_G	142_S	0.562	0.66
118_A	122_T	0.562	0.66
68_V	71_Q	0.561	0.65
119_T	216_A	0.561	0.65
31_G	34_N	0.560	0.65
96_F	240_N	0.559	0.65
59_R	220_E	0.558	0.65
8_Q	15_R	0.556	0.65
23_I	26_L	0.547	0.63
50_V	70_Q	0.547	0.63
103_R	238_A	0.545	0.63
126_L	129_A	0.545	0.63
116_L	121_I	0.542	0.63
82_L	138_E	0.542	0.63
71_Q	160_S	0.542	0.63
103_R	232_A	0.541	0.63
102_P	141_G	0.539	0.62
49_D	52_Q	0.538	0.62
123_F	205_L	0.537	0.62
61_V	214_K	0.537	0.62
61_V	230_T	0.532	0.61
110_L	157_D	0.532	0.61
24_A	148_S	0.532	0.61
127_Y	173_P	0.531	0.61
121_I	209_V	0.530	0.61
72_L	144_I	0.529	0.61
107_E	230_T	0.529	0.61
180_N	184_K	0.528	0.61
68_V	149_I	0.528	0.61
26_L	33_D	0.528	0.61
47_Q	220_E	0.528	0.61
184_K	189_N	0.528	0.61
47_Q	50_V	0.527	0.61
61_V	147_W	0.525	0.60
89_G	168_G	0.525	0.60
28_D	34_N	0.525	0.60
188_N	192_V	0.523	0.60
34_N	38_A	0.522	0.60
213_R	216_A	0.522	0.60
116_L	126_L	0.522	0.60
232_A	236_M	0.519	0.59
9_L	23_I	0.519	0.59
200_C	234_G	0.516	0.59
149_I	236_M	0.516	0.59
42_Q	81_T	0.515	0.59
222_L	226_D	0.514	0.59
131_E	134_L	0.514	0.59
178_L	203_H	0.513	0.59
72_L	149_I	0.513	0.59
6_L	34_N	0.510	0.58
83_F	86_M	0.510	0.58
103_R	140_V	0.509	0.58
149_I	154_T	0.509	0.58
133_V	181_C	0.508	0.58
64_T	201_L	0.504	0.57
196_R	199_E	0.504	0.57
6_L	37_A	0.504	0.57
106_A	149_I	0.504	0.57
12_D	30_I	0.503	0.57
143_R	253_G	0.503	0.57
65_H	199_E	0.503	0.57
61_V	154_T	0.503	0.57
187_R	192_V	0.503	0.57
203_H	215_M	0.502	0.57
106_A	185_M	0.500	0.57

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
2wqtA	6	0.9703	100	0.217	Contact Map
2eb4A	5	0.9665	100	0.234	Contact Map
1sawA	2	0.7509	100	0.581	Contact Map
3s52A	2	0.7732	100	0.591	Contact Map
4maqA	2	0.8439	100	0.609	Contact Map
3v77A	5	0.7993	100	0.611	Contact Map
1gttA	1	0.8959	100	0.614	Contact Map
1wzoA	4	0.8736	100	0.62	Contact Map
1nkqA	4	0.7807	100	0.636	Contact Map
3r6oA	2	0.8773	99.9	0.652	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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