AROQ - BACSU - GREMLIN Contacts

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AROQ - 3-dehydroquinate dehydratase

UniProt:	P54517	Sequences: MPHFLILNGPNVNRLGSREPEVFGRQTLTDIETDLFQFAEALHIQLTFFQSNHEGDLIDAIHEAEEQYSGIVLNPGALSHYSYAIRDAVSSISLPVVEVHLSNLYAREEFRHQSVIAPVAKGQIVGLGAEGYKLAVRYLLSQQGGESR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	148 (140)
Sequences:	3215 (2039)
Seq/√Len:	172.3

BACSU - AROQ

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
70_G	139_L	2.662	1.00
49_F	60_A	2.635	1.00
38_F	137_R	2.483	1.00
8_N	32_E	2.240	1.00
31_I	129_A	2.135	1.00
81_Y	115_V	2.124	1.00
53_H	59_D	2.052	1.00
130_E	141_S	2.048	1.00
42_L	140_L	2.043	1.00
86_R	119_V	1.999	1.00
44_I	140_L	1.926	1.00
101_L	129_A	1.905	1.00
3_H	45_Q	1.863	1.00
32_E	48_F	1.857	1.00
38_F	133_K	1.822	1.00
34_D	133_K	1.768	1.00
86_R	90_S	1.733	1.00
19_E	90_S	1.713	1.00
122_G	127_L	1.700	1.00
130_E	133_K	1.690	1.00
57_L	85_I	1.681	1.00
39_A	46_L	1.670	1.00
90_S	119_V	1.659	1.00
127_L	134_L	1.651	1.00
17_S	65_E	1.638	1.00
26_Q	129_A	1.582	1.00
22_V	102_S	1.577	1.00
29_T	32_E	1.559	1.00
26_Q	34_D	1.555	1.00
49_F	56_D	1.475	1.00
53_H	56_D	1.452	1.00
75_P	116_I	1.446	1.00
14_R	91_S	1.441	1.00
4_F	136_V	1.433	1.00
86_R	118_P	1.428	1.00
60_A	63_E	1.406	1.00
83_Y	115_V	1.404	1.00
14_R	65_E	1.400	1.00
5_L	68_Y	1.383	1.00
56_D	59_D	1.382	1.00
105_Y	125_V	1.365	1.00
133_K	137_R	1.358	1.00
6_I	48_F	1.358	1.00
121_K	142_Q	1.338	1.00
89_V	96_V	1.335	1.00
7_L	57_L	1.313	1.00
127_L	131_G	1.311	1.00
51_S	78_L	1.281	1.00
77_A	83_Y	1.279	1.00
117_A	123_Q	1.263	1.00
96_V	120_A	1.254	1.00
32_E	36_F	1.248	1.00
26_Q	30_D	1.242	1.00
61_I	92_I	1.238	1.00
35_L	46_L	1.210	1.00
27_T	30_D	1.208	1.00
96_V	116_I	1.202	1.00
72_V	135_A	1.200	1.00
61_I	71_I	1.180	1.00
72_V	99_V	1.177	1.00
6_I	35_L	1.171	1.00
127_L	138_Y	1.169	1.00
38_F	41_A	1.163	1.00
78_L	84_A	1.162	1.00
35_L	136_V	1.149	1.00
130_E	134_L	1.138	1.00
57_L	78_L	1.121	1.00
13_N	52_N	1.103	1.00
97_V	138_Y	1.093	1.00
28_L	32_E	1.080	1.00
13_N	62_H	1.066	1.00
56_D	60_A	1.056	1.00
105_Y	123_Q	1.050	0.99
62_H	88_A	1.038	0.99
104_L	123_Q	1.033	0.99
34_D	38_F	1.018	0.99
8_N	48_F	1.014	0.99
33_T	37_Q	1.009	0.99
28_L	31_I	1.007	0.99
77_A	84_A	1.006	0.99
106_A	121_K	1.002	0.99
52_N	59_D	0.993	0.99
39_A	136_V	0.981	0.99
5_L	64_A	0.980	0.99
78_L	85_I	0.971	0.99
61_I	85_I	0.970	0.99
42_L	137_R	0.954	0.99
3_H	47_T	0.953	0.99
134_L	138_Y	0.947	0.99
14_R	62_H	0.945	0.99
103_N	122_G	0.942	0.99
38_F	42_L	0.931	0.99
30_D	33_T	0.928	0.99
90_S	118_P	0.921	0.99
17_S	66_E	0.919	0.99
47_T	60_A	0.894	0.98
79_S	104_L	0.886	0.98
109_E	112_H	0.885	0.98
14_R	66_E	0.876	0.98
3_H	69_S	0.875	0.98
51_S	57_L	0.863	0.98
103_N	127_L	0.862	0.98
124_I	127_L	0.860	0.98
4_F	44_I	0.859	0.98
28_L	48_F	0.855	0.98
122_G	138_Y	0.854	0.98
65_E	93_S	0.849	0.98
58_I	84_A	0.848	0.98
79_S	114_S	0.847	0.98
14_R	17_S	0.847	0.98
137_R	141_S	0.847	0.98
29_T	33_T	0.845	0.98
83_Y	110_F	0.841	0.98
42_L	136_V	0.836	0.97
104_L	125_V	0.832	0.97
73_L	89_V	0.831	0.97
31_I	101_L	0.829	0.97
63_E	67_Q	0.828	0.97
7_L	73_L	0.824	0.97
58_I	77_A	0.824	0.97
58_I	62_H	0.807	0.97
36_F	40_E	0.796	0.97
122_G	134_L	0.792	0.96
55_G	78_L	0.789	0.96
12_V	101_L	0.778	0.96
71_I	96_V	0.776	0.96
92_I	96_V	0.776	0.96
7_L	49_F	0.773	0.96
6_I	32_E	0.768	0.96
71_I	92_I	0.765	0.96
97_V	127_L	0.756	0.95
130_E	138_Y	0.754	0.95
37_Q	41_A	0.752	0.95
80_H	111_R	0.748	0.95
72_V	136_V	0.745	0.95
89_V	116_I	0.742	0.95
97_V	139_L	0.739	0.95
4_F	139_L	0.736	0.95
3_H	68_Y	0.731	0.95
109_E	113_Q	0.723	0.94
41_A	137_R	0.722	0.94
10_P	58_I	0.719	0.94
115_V	120_A	0.718	0.94
34_D	129_A	0.711	0.94
35_L	133_K	0.704	0.93
33_T	36_F	0.703	0.93
5_L	60_A	0.700	0.93
89_V	120_A	0.696	0.93
116_I	120_A	0.691	0.93
37_Q	40_E	0.688	0.93
138_Y	142_Q	0.682	0.92
44_I	69_S	0.676	0.92
130_E	137_R	0.674	0.92
91_S	96_V	0.654	0.91
61_I	89_V	0.653	0.91
19_E	91_S	0.652	0.90
78_L	81_Y	0.651	0.90
64_A	94_L	0.651	0.90
124_I	134_L	0.645	0.90
15_L	101_L	0.636	0.89
103_N	134_L	0.630	0.89
10_P	78_L	0.630	0.89
47_T	67_Q	0.628	0.89
110_F	115_V	0.609	0.87
46_L	136_V	0.602	0.87
35_L	72_V	0.602	0.87
21_E	25_R	0.601	0.87
59_D	62_H	0.599	0.86
66_E	94_L	0.594	0.86
133_K	141_S	0.590	0.86
20_P	25_R	0.584	0.85
64_A	71_I	0.583	0.85
124_I	131_G	0.581	0.85
60_A	64_A	0.580	0.85
12_V	28_L	0.579	0.84
36_F	48_F	0.578	0.84
77_A	81_Y	0.577	0.84
131_G	135_A	0.577	0.84
92_I	121_K	0.573	0.84
34_D	37_Q	0.572	0.84
47_T	68_Y	0.567	0.83
19_E	22_V	0.565	0.83
96_V	121_K	0.565	0.83
113_Q	117_A	0.562	0.83
49_F	63_E	0.562	0.83
55_G	76_G	0.559	0.82
75_P	131_G	0.559	0.82
130_E	142_Q	0.557	0.82
6_I	46_L	0.554	0.82
108_E	111_R	0.543	0.81
97_V	142_Q	0.543	0.81
60_A	68_Y	0.534	0.79
10_P	84_A	0.532	0.79
89_V	119_V	0.529	0.79
58_I	78_L	0.529	0.79
68_Y	94_L	0.525	0.78
117_A	125_V	0.525	0.78
76_G	83_Y	0.523	0.78
36_F	39_A	0.522	0.78
105_Y	117_A	0.522	0.78
40_E	45_Q	0.522	0.78
39_A	48_F	0.519	0.78
70_G	95_P	0.517	0.77
7_L	51_S	0.517	0.77
72_V	139_L	0.514	0.77
134_L	137_R	0.510	0.76
12_V	15_L	0.509	0.76
71_I	89_V	0.509	0.76
101_L	131_G	0.506	0.76
124_I	138_Y	0.500	0.75

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
1uqrA	4	1	100	0.036	Contact Map
1gtzA	4	0.973	100	0.042	Contact Map
3lwzA	4	0.9865	100	0.042	Contact Map
3u80A	2	0.8514	100	0.044	Contact Map
3n8kA	4	0.9527	100	0.046	Contact Map
4kiwA	6	0.9459	100	0.048	Contact Map
4rc9A	4	1	100	0.05	Contact Map
4l8lA	4	0.9189	100	0.051	Contact Map
1h05A	4	0.9324	100	0.051	Contact Map
3kipA	6	0.9459	100	0.053	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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