AROD - SULSO - GREMLIN Contacts

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AROD - 3-dehydroquinate dehydratase

UniProt:	Q980I4	Sequences: MRPLIVASLPIKKIEDLKLIENFLDADLIELRLDYLREREVSLISDYYEFLDKYKKKLIVTLRDKGEGGINQLADELKIKILNELYERQYLYDIEVSFLQKYDIPYDNRIVSVHYFNYLPTLEKIKEIVSKFSEKAFSVKIAVPSLKGYKEVLLPLLEYENVTVIPMSNNSLERIAVGLLGSKLVYSYAIEPLAQGQLYYKKVIQIFNYINDITTSSLVT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	220 (206)
Sequences:	1367 (1074)
Seq/√Len:	74.8

ECOLI - AROD
BACSU - AROD
HALSA - AROD
SULSO - AROD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
59_I	110_I	4.260	1.00
187_S	203_V	3.461	1.00
156_L	164_V	3.221	1.00
6_V	184_L	3.189	1.00
33_L	60_V	3.172	1.00
115_Y	118_Y	2.983	1.00
125_I	141_I	2.688	1.00
145_S	166_P	2.681	1.00
178_G	211_N	2.256	1.00
163_T	184_L	2.225	1.00
9_L	17_L	2.171	1.00
25_D	56_K	2.132	1.00
122_L	158_E	2.118	1.00
186_Y	193_L	2.063	1.00
62_L	71_N	2.023	1.00
114_H	167_M	1.902	1.00
74_A	77_L	1.887	1.00
60_V	85_L	1.882	1.00
64_D	78_K	1.879	1.00
108_N	137_F	1.848	1.00
142_A	165_I	1.845	1.00
122_L	154_L	1.808	1.00
59_I	91_L	1.802	1.00
91_L	110_I	1.795	1.00
147_K	157_L	1.789	1.00
139_V	160_E	1.769	1.00
111_V	136_A	1.752	1.00
156_L	165_I	1.741	1.00
133_S	160_E	1.738	1.00
116_F	167_M	1.730	1.00
199_Y	202_K	1.720	1.00
116_F	144_P	1.696	1.00
194_A	197_Q	1.684	1.00
122_L	151_E	1.653	1.00
14_I	50_F	1.634	1.00
67_E	97_S	1.612	1.00
125_I	155_P	1.597	0.99
145_S	149_Y	1.591	0.99
61_T	114_H	1.585	0.99
52_D	90_Y	1.575	0.99
202_K	205_Q	1.574	0.99
167_M	194_A	1.573	0.99
114_H	194_A	1.560	0.99
206_I	209_Y	1.536	0.99
149_Y	166_P	1.531	0.99
177_V	182_S	1.525	0.99
57_K	138_S	1.505	0.99
113_V	128_I	1.470	0.99
28_L	184_L	1.441	0.99
11_I	20_I	1.424	0.99
154_L	158_E	1.421	0.99
114_H	197_Q	1.420	0.99
96_V	111_V	1.410	0.99
61_T	93_D	1.409	0.99
14_I	47_Y	1.407	0.99
129_V	164_V	1.393	0.99
114_H	174_R	1.374	0.98
11_I	16_D	1.366	0.98
20_I	190_I	1.346	0.98
14_I	36_L	1.338	0.98
143_V	152_V	1.335	0.98
93_D	114_H	1.334	0.98
149_Y	173_E	1.330	0.98
166_P	173_E	1.319	0.98
126_K	155_P	1.313	0.98
14_I	18_K	1.312	0.98
13_K	37_R	1.307	0.98
26_A	56_K	1.286	0.98
85_L	89_Q	1.279	0.97
91_L	138_S	1.275	0.97
156_L	162_V	1.268	0.97
125_I	143_V	1.252	0.97
35_Y	70_I	1.250	0.97
82_L	92_Y	1.244	0.97
76_E	80_K	1.242	0.97
126_K	158_E	1.213	0.96
175_I	206_I	1.207	0.96
26_A	200_Y	1.203	0.96
21_E	54_Y	1.201	0.96
13_K	16_D	1.201	0.96
152_V	166_P	1.193	0.96
61_T	167_M	1.171	0.96
61_T	95_E	1.167	0.96
142_A	167_M	1.156	0.95
83_N	106_Y	1.150	0.95
85_L	92_Y	1.146	0.95
86_Y	94_I	1.143	0.95
150_K	157_L	1.140	0.95
7_A	189_A	1.131	0.95
10_P	193_L	1.128	0.95
198_L	203_V	1.127	0.95
48_Y	88_R	1.112	0.94
65_K	72_Q	1.101	0.94
96_V	132_F	1.098	0.94
83_N	103_D	1.097	0.94
20_I	24_L	1.093	0.94
152_V	164_V	1.092	0.94
78_K	98_F	1.076	0.93
57_K	161_N	1.074	0.93
25_D	204_I	1.062	0.93
177_V	193_L	1.061	0.93
125_I	129_V	1.050	0.92
32_R	61_T	1.049	0.92
121_T	124_K	1.046	0.92
174_R	194_A	1.046	0.92
111_V	132_F	1.040	0.92
4_L	78_K	1.038	0.92
7_A	200_Y	1.035	0.92
153_L	180_L	1.032	0.92
75_D	78_K	1.025	0.91
10_P	35_Y	1.020	0.91
36_L	47_Y	1.018	0.91
31_L	48_Y	1.013	0.91
33_L	82_L	1.009	0.91
28_L	57_K	1.006	0.91
8_S	186_Y	1.005	0.91
26_A	189_A	1.004	0.91
26_A	204_I	0.990	0.90
142_A	194_A	0.969	0.89
131_K	147_K	0.954	0.88
31_L	36_L	0.953	0.88
100_Q	131_K	0.949	0.88
91_L	108_N	0.940	0.87
119_L	148_G	0.938	0.87
73_L	77_L	0.934	0.87
83_N	87_E	0.933	0.87
93_D	194_A	0.933	0.87
84_E	87_E	0.930	0.87
167_M	174_R	0.926	0.87
7_A	24_L	0.925	0.87
4_L	35_Y	0.913	0.86
60_V	82_L	0.911	0.86
144_P	167_M	0.909	0.86
67_E	113_V	0.900	0.85
130_S	133_S	0.897	0.85
65_K	70_I	0.896	0.85
93_D	197_Q	0.892	0.84
171_S	175_I	0.891	0.84
7_A	26_A	0.891	0.84
12_K	37_R	0.886	0.84
167_M	196_G	0.883	0.84
95_E	114_H	0.880	0.84
116_F	195_Q	0.876	0.83
8_S	193_L	0.872	0.83
137_F	161_N	0.868	0.83
125_I	151_E	0.865	0.83
205_Q	209_Y	0.864	0.83
113_V	141_I	0.862	0.82
45_S	84_E	0.860	0.82
77_L	80_K	0.851	0.82
172_L	176_A	0.850	0.81
22_N	54_Y	0.847	0.81
69_G	95_E	0.824	0.79
63_R	95_E	0.813	0.79
5_I	203_V	0.807	0.78
116_F	142_A	0.806	0.78
207_F	210_I	0.806	0.78
176_A	207_F	0.802	0.78
153_L	156_L	0.799	0.77
156_L	182_S	0.797	0.77
30_E	34_D	0.794	0.77
97_S	128_I	0.790	0.77
148_G	151_E	0.786	0.76
20_I	23_F	0.783	0.76
64_D	67_E	0.783	0.76
78_K	82_L	0.774	0.75
126_K	130_S	0.771	0.75
152_V	173_E	0.765	0.74
9_L	58_L	0.762	0.74
68_G	95_E	0.761	0.74
85_L	88_R	0.760	0.74
142_A	145_S	0.756	0.73
61_T	174_R	0.756	0.73
114_H	140_K	0.756	0.73
32_R	95_E	0.754	0.73
51_L	110_I	0.748	0.73
79_I	83_N	0.747	0.72
37_R	201_K	0.743	0.72
96_V	131_K	0.743	0.72
149_Y	155_P	0.738	0.72
10_P	98_F	0.738	0.72
41_V	84_E	0.737	0.71
124_K	127_E	0.736	0.71
62_L	81_I	0.736	0.71
156_L	180_L	0.735	0.71
9_L	21_E	0.734	0.71
119_L	166_P	0.732	0.71
164_V	180_L	0.731	0.71
15_E	19_L	0.731	0.71
133_S	139_V	0.730	0.71
82_L	86_Y	0.728	0.70
6_V	163_T	0.722	0.70
174_R	197_Q	0.717	0.69
17_L	31_L	0.703	0.68
141_I	187_S	0.698	0.67
123_E	134_E	0.696	0.67
116_F	194_A	0.695	0.67
115_Y	119_L	0.687	0.66
142_A	177_V	0.687	0.66
61_T	194_A	0.686	0.66
130_S	134_E	0.680	0.65
150_K	179_L	0.679	0.65
39_R	62_L	0.677	0.65
6_V	60_V	0.676	0.65
152_V	165_I	0.675	0.65
25_D	201_K	0.673	0.64
116_F	197_Q	0.671	0.64
170_N	185_V	0.670	0.64
114_H	196_G	0.670	0.64
41_V	51_L	0.669	0.64
148_G	170_N	0.667	0.64
115_Y	128_I	0.663	0.63
65_K	202_K	0.662	0.63
22_N	50_F	0.662	0.63
128_I	132_F	0.656	0.62
31_L	193_L	0.655	0.62
80_K	84_E	0.655	0.62
59_I	132_F	0.654	0.62
19_L	87_E	0.653	0.62
83_N	100_Q	0.645	0.61
132_F	136_A	0.642	0.61
162_V	177_V	0.641	0.61
147_K	204_I	0.632	0.60
116_F	119_L	0.632	0.60
112_S	139_V	0.630	0.59
141_I	151_E	0.629	0.59
93_D	167_M	0.628	0.59
136_A	161_N	0.628	0.59
122_L	126_K	0.623	0.58
178_G	188_Y	0.617	0.58
12_K	35_Y	0.616	0.58
4_L	138_S	0.616	0.58
139_V	163_T	0.608	0.57
129_V	155_P	0.607	0.57
154_L	157_L	0.605	0.56
133_S	159_Y	0.602	0.56
119_L	146_L	0.598	0.55
201_K	206_I	0.598	0.55
45_S	88_R	0.598	0.55
45_S	48_Y	0.591	0.55
138_S	182_S	0.586	0.54
70_I	173_E	0.584	0.54
5_I	200_Y	0.584	0.54
200_Y	204_I	0.584	0.54
127_E	130_S	0.574	0.52
69_G	93_D	0.572	0.52
110_I	163_T	0.571	0.52
4_L	178_G	0.571	0.52
167_M	197_Q	0.570	0.52
27_D	67_E	0.568	0.52
48_Y	52_D	0.564	0.51
75_D	79_I	0.564	0.51
62_L	78_K	0.563	0.51
75_D	101_K	0.562	0.51
42_S	84_E	0.561	0.51
171_S	203_V	0.560	0.51
12_K	19_L	0.556	0.50
178_G	207_F	0.555	0.50
176_A	179_L	0.554	0.50
27_D	204_I	0.554	0.50
109_R	175_I	0.552	0.50
67_E	96_V	0.552	0.50
187_S	199_Y	0.547	0.49
143_V	166_P	0.547	0.49
130_S	147_K	0.546	0.49
59_I	176_A	0.546	0.49
163_T	183_K	0.544	0.49
205_Q	208_N	0.544	0.49
175_I	209_Y	0.542	0.48
29_I	58_L	0.542	0.48
83_N	175_I	0.540	0.48
114_H	165_I	0.539	0.48
144_P	185_V	0.539	0.48
118_Y	124_K	0.537	0.48
112_S	140_K	0.536	0.48
52_D	161_N	0.536	0.48
32_R	93_D	0.536	0.48
23_F	46_D	0.535	0.48
115_Y	167_M	0.533	0.47
171_S	210_I	0.532	0.47
10_P	186_Y	0.531	0.47
48_Y	85_L	0.528	0.47
155_P	183_K	0.528	0.47
118_Y	134_E	0.527	0.47
87_E	106_Y	0.527	0.47
171_S	202_K	0.527	0.47
92_Y	117_N	0.524	0.46
64_D	145_S	0.523	0.46
25_D	200_Y	0.523	0.46
78_K	132_F	0.523	0.46
42_S	45_S	0.518	0.45
79_I	98_F	0.517	0.45
31_L	47_Y	0.517	0.45
32_R	63_R	0.516	0.45
170_N	173_E	0.516	0.45
14_I	38_E	0.515	0.45
75_D	99_L	0.515	0.45
12_K	70_I	0.514	0.45
175_I	198_L	0.513	0.45
54_Y	101_K	0.509	0.44
18_K	22_N	0.507	0.44
156_L	177_V	0.506	0.44
42_S	104_I	0.504	0.44
12_K	191_E	0.503	0.44
6_V	28_L	0.502	0.43
23_F	134_E	0.501	0.43
94_I	134_E	0.500	0.43
46_D	55_K	0.500	0.43
28_L	177_V	0.500	0.43

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
4cnnA	2	0.95	100	0.217	Contact Map
4h3dA	2	0.9773	100	0.221	Contact Map
4ph6A	2	0.9227	100	0.23	Contact Map
3l9cA	1	0.9318	100	0.247	Contact Map
2o7sA	2	0.9909	100	0.249	Contact Map
1sflA	2	0.9455	100	0.252	Contact Map
2oczA	2	0.9045	100	0.256	Contact Map
2ox1A	2	0.8682	100	0.259	Contact Map
2egzA	1	0.9273	100	0.264	Contact Map
2yr1A	2	0.9773	100	0.313	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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