AROD - HALSA - GREMLIN Contacts

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AROD - 3-dehydroquinate dehydratase

UniProt:	Q9HSB4	Sequences: MEFQDFLLAASTGDLGAAPAAPEHVDLVEFRMDLAADPLAALDDYDGVLPVLATNRADWEGGAAADGGDRIDALAEAARTDCVAAVDIERSALVDDDTADGAEALAAARSTDTTTVVSAHDFDGTPSLSAMADLLGEACSLGDVGKLAVTPQDRGDALDVIRVTHEYSAAGMTVATMGMGDLGRHTRAVTPLYGSKLGYAPVADGETTAPGQYAPAALQALIADLQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	226 (208)
Sequences:	1350 (1079)
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
52_L	116_V	4.077	1.00
200_A	218_L	3.348	1.00
32_M	53_A	3.295	1.00
121_D	124_G	3.280	1.00
164_T	176_T	3.266	1.00
78_A	108_A	3.021	1.00
131_M	147_L	2.920	1.00
151_P	178_G	2.750	1.00
175_A	197_L	2.523	1.00
128_L	166_E	2.507	1.00
66_D	69_D	2.468	1.00
199_Y	208_T	2.372	1.00
165_H	169_A	2.365	1.00
55_N	64_A	2.064	1.00
120_H	179_M	2.008	1.00
24_H	49_L	2.007	1.00
52_L	85_A	1.990	1.00
57_A	70_R	1.979	1.00
53_A	77_A	1.864	1.00
155_G	165_H	1.859	1.00
214_A	217_A	1.839	1.00
139_C	167_Y	1.817	1.00
145_G	172_M	1.809	1.00
128_L	162_R	1.809	1.00
148_A	177_M	1.809	1.00
85_A	116_V	1.799	1.00
139_C	172_M	1.796	1.00
179_M	209_A	1.796	1.00
27_L	197_L	1.749	1.00
28_V	46_D	1.740	1.00
122_F	179_M	1.699	1.00
131_M	163_V	1.694	1.00
114_T	143_D	1.659	1.00
122_F	150_T	1.646	1.00
128_L	159_D	1.646	1.00
90_R	117_V	1.645	1.00
120_H	209_A	1.644	1.00
209_A	212_Q	1.643	1.00
217_A	220_A	1.633	1.00
151_P	157_A	1.629	1.00
157_A	178_G	1.628	1.00
10_A	13_G	1.622	1.00
181_D	184_R	1.617	1.00
221_L	224_D	1.607	0.99
164_T	177_M	1.599	0.99
60_E	91_S	1.590	0.99
119_A	134_L	1.569	0.99
151_P	182_L	1.533	0.99
75_A	103_E	1.522	0.99
54_T	120_H	1.498	0.99
190_T	195_S	1.484	0.99
131_M	149_V	1.470	0.99
132_A	163_V	1.458	0.99
108_A	113_T	1.456	0.99
135_L	176_T	1.445	0.99
120_H	212_Q	1.418	0.99
164_T	174_V	1.405	0.99
120_H	187_R	1.396	0.99
162_R	166_E	1.382	0.98
25_V	215_P	1.377	0.98
109_R	143_D	1.363	0.98
160_V	178_G	1.353	0.98
54_T	87_D	1.344	0.98
149_V	160_V	1.335	0.98
161_I	193_Y	1.328	0.98
157_A	186_T	1.318	0.98
53_A	83_V	1.317	0.98
67_G	93_L	1.315	0.98
87_D	120_H	1.303	0.98
10_A	15_L	1.278	0.97
77_A	86_V	1.272	0.97
50_P	144_V	1.272	0.97
68_G	72_D	1.262	0.97
85_A	144_V	1.253	0.97
24_H	219_Q	1.240	0.97
75_A	107_A	1.223	0.97
34_L	63_A	1.218	0.97
132_A	166_E	1.214	0.96
54_T	89_E	1.213	0.96
160_V	176_T	1.205	0.96
25_V	49_L	1.201	0.96
190_T	208_T	1.190	0.96
160_V	186_T	1.180	0.96
158_L	165_H	1.163	0.95
188_A	221_L	1.163	0.95
15_L	18_A	1.152	0.95
178_G	186_T	1.152	0.95
85_A	114_T	1.144	0.95
17_A	42_L	1.142	0.95
54_T	179_M	1.142	0.95
127_S	130_A	1.118	0.94
65_A	69_D	1.108	0.94
41_A	46_D	1.107	0.94
148_A	179_M	1.102	0.94
184_R	188_A	1.102	0.94
67_G	70_R	1.098	0.94
31_R	54_T	1.088	0.94
108_A	111_T	1.085	0.93
148_A	209_A	1.080	0.93
105_L	115_T	1.079	0.93
213_Y	218_L	1.059	0.93
90_R	138_A	1.045	0.92
187_R	209_A	1.017	0.91
117_V	138_A	1.010	0.91
25_V	202_V	1.008	0.91
52_L	81_D	1.002	0.90
143_D	173_T	0.990	0.90
131_M	135_L	0.973	0.89
38_P	46_D	0.967	0.89
21_A	49_L	0.964	0.89
155_G	169_A	0.961	0.88
79_R	107_A	0.960	0.88
70_R	92_A	0.958	0.88
27_L	50_P	0.957	0.88
74_L	86_V	0.954	0.88
36_A	46_D	0.952	0.88
50_P	173_T	0.947	0.88
67_G	71_I	0.937	0.87
150_T	179_M	0.928	0.87
94_V	137_E	0.924	0.86
87_D	212_Q	0.920	0.86
20_A	25_V	0.919	0.86
32_M	74_L	0.910	0.86
179_M	187_R	0.900	0.85
78_A	111_T	0.899	0.85
119_A	147_L	0.898	0.85
58_D	63_A	0.891	0.84
25_V	219_Q	0.886	0.84
132_A	136_G	0.885	0.84
185_H	189_V	0.882	0.84
87_D	209_A	0.881	0.84
122_F	210_P	0.878	0.84
220_A	224_D	0.878	0.84
60_E	119_A	0.876	0.83
89_E	120_H	0.868	0.83
56_R	89_E	0.864	0.83
69_D	72_D	0.857	0.82
158_L	192_L	0.855	0.82
164_T	195_S	0.855	0.82
105_L	117_V	0.852	0.82
91_S	134_L	0.848	0.81
70_R	74_L	0.846	0.81
179_M	211_G	0.846	0.81
176_T	193_Y	0.843	0.81
78_A	88_I	0.836	0.80
30_F	208_T	0.833	0.80
61_G	89_E	0.829	0.80
31_R	89_E	0.825	0.80
137_E	155_G	0.824	0.79
122_F	148_A	0.821	0.79
57_A	60_E	0.821	0.79
139_C	145_G	0.821	0.79
153_D	182_L	0.815	0.79
36_A	76_E	0.813	0.79
14_D	30_F	0.813	0.79
72_D	76_E	0.813	0.79
71_I	100_D	0.812	0.78
11_S	15_L	0.807	0.78
156_D	159_D	0.806	0.78
125_T	156_D	0.803	0.78
167_Y	172_M	0.799	0.77
161_I	164_T	0.796	0.77
122_F	209_A	0.793	0.77
83_V	113_T	0.793	0.77
53_A	74_L	0.791	0.77
23_E	202_V	0.788	0.76
76_E	79_R	0.787	0.76
20_A	24_H	0.787	0.76
51_V	167_Y	0.784	0.76
136_G	139_C	0.784	0.76
75_A	79_R	0.783	0.76
54_T	187_R	0.773	0.75
10_A	18_A	0.770	0.75
29_E	33_D	0.769	0.75
148_A	151_P	0.755	0.73
220_A	223_A	0.750	0.73
38_P	42_L	0.748	0.73
77_A	82_C	0.747	0.72
107_A	111_T	0.746	0.72
188_A	213_Y	0.741	0.72
55_N	73_A	0.736	0.71
124_G	140_S	0.730	0.71
157_A	182_L	0.718	0.69
144_V	195_S	0.711	0.69
62_G	89_E	0.711	0.69
94_V	102_A	0.708	0.68
90_R	137_E	0.703	0.68
22_P	221_L	0.702	0.68
121_D	179_M	0.695	0.67
134_L	138_A	0.694	0.67
160_V	177_M	0.689	0.66
103_E	106_A	0.686	0.66
116_V	175_A	0.684	0.66
148_A	157_A	0.678	0.65
54_T	209_A	0.674	0.65
164_T	193_Y	0.673	0.64
37_D	40_A	0.671	0.64
157_A	163_V	0.670	0.64
42_L	66_D	0.669	0.64
87_D	179_M	0.667	0.64
77_A	83_V	0.666	0.64
120_H	146_K	0.663	0.63
121_D	134_L	0.660	0.63
148_A	190_T	0.659	0.63
31_R	56_R	0.655	0.62
122_F	212_Q	0.654	0.62
36_A	72_D	0.652	0.62
147_L	159_D	0.650	0.62
162_R	165_H	0.641	0.61
189_V	222_I	0.639	0.60
11_S	41_A	0.636	0.60
179_M	212_Q	0.636	0.60
149_V	157_A	0.635	0.60
60_E	208_T	0.634	0.60
151_P	156_D	0.630	0.59
106_A	116_V	0.630	0.59
187_R	212_Q	0.627	0.59
179_M	210_P	0.626	0.59
131_M	159_D	0.626	0.59
133_D	136_G	0.623	0.58
63_A	186_T	0.622	0.58
122_F	125_T	0.621	0.58
145_G	175_A	0.620	0.58
191_P	201_P	0.620	0.58
86_V	153_D	0.619	0.58
183_G	198_G	0.616	0.58
177_M	190_T	0.608	0.57
129_S	140_S	0.606	0.56
136_G	170_A	0.606	0.56
215_P	219_Q	0.604	0.56
24_H	216_A	0.603	0.56
130_A	133_D	0.603	0.56
201_P	207_T	0.601	0.56
38_P	45_Y	0.601	0.56
106_A	110_S	0.600	0.56
181_D	224_D	0.599	0.56
71_I	75_A	0.598	0.55
204_D	207_T	0.596	0.55
32_M	55_N	0.594	0.55
55_N	70_R	0.591	0.55
93_L	100_D	0.591	0.55
175_A	199_Y	0.589	0.54
75_A	94_V	0.588	0.54
26_D	219_Q	0.586	0.54
136_G	140_S	0.585	0.54
74_L	78_A	0.583	0.54
108_A	115_T	0.582	0.53
50_P	208_T	0.581	0.53
213_Y	224_D	0.579	0.53
25_V	34_L	0.578	0.53
118_S	145_G	0.575	0.53
56_R	61_G	0.574	0.52
13_G	17_A	0.573	0.52
189_V	192_L	0.572	0.52
133_D	137_E	0.572	0.52
58_D	217_A	0.569	0.52
164_T	194_G	0.567	0.52
155_G	219_Q	0.566	0.51
147_L	200_A	0.566	0.51
142_G	145_G	0.565	0.51
145_G	174_V	0.562	0.51
75_A	104_A	0.562	0.51
120_H	211_G	0.561	0.51
116_V	144_V	0.561	0.51
149_V	178_G	0.560	0.51
67_G	101_G	0.559	0.51
60_E	88_I	0.559	0.51
55_N	77_A	0.559	0.51
38_P	43_D	0.555	0.50
39_L	77_A	0.554	0.50
104_A	108_A	0.554	0.50
174_V	190_T	0.554	0.50
150_T	178_G	0.553	0.50
28_V	51_V	0.552	0.50
50_P	190_T	0.551	0.50
30_F	39_L	0.547	0.49
118_S	146_K	0.546	0.49
57_A	117_V	0.546	0.49
158_L	161_I	0.544	0.49
125_T	178_G	0.541	0.48
52_L	138_A	0.535	0.48
125_T	179_M	0.535	0.48
38_P	77_A	0.534	0.47
14_D	39_L	0.533	0.47
16_G	203_A	0.533	0.47
27_L	106_A	0.532	0.47
11_S	14_D	0.532	0.47
121_D	125_T	0.531	0.47
14_D	45_Y	0.530	0.47
191_P	222_I	0.530	0.47
120_H	177_M	0.529	0.47
79_R	111_T	0.528	0.47
58_D	220_A	0.527	0.47
19_P	22_P	0.527	0.47
43_D	46_D	0.526	0.46
149_V	164_T	0.523	0.46
86_V	142_G	0.522	0.46
57_A	61_G	0.519	0.46
200_A	214_A	0.518	0.45
161_I	190_T	0.516	0.45
135_L	163_V	0.513	0.45
136_G	155_G	0.513	0.45
194_G	212_Q	0.512	0.45
61_G	118_S	0.512	0.45
26_D	60_E	0.511	0.45
12_T	18_A	0.509	0.44
216_A	221_L	0.507	0.44
157_A	185_H	0.505	0.44
36_A	95_D	0.504	0.44
188_A	224_D	0.503	0.44
168_S	174_V	0.501	0.43
147_L	193_Y	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	0.9558	100	0.142	Contact Map
4h3dA	2	0.9735	100	0.151	Contact Map
4ph6A	2	0.9292	100	0.156	Contact Map
3l9cA	1	0.9336	100	0.195	Contact Map
1sflA	2	0.9646	100	0.196	Contact Map
2oczA	2	0.9159	100	0.203	Contact Map
2o7sA	2	0.9602	100	0.216	Contact Map
2egzA	1	0.9071	100	0.226	Contact Map
2yr1A	2	0.9646	100	0.237	Contact Map
2ox1A	2	0.8584	100	0.248	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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