LGUL - ECOLI - GREMLIN Contacts

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LGUL - Lactoylglutathione lyase

UniProt:	P0AC81	Sequences: MRLLHTMLRVGDLQRSIDFYTKVLGMKLLRTSENPEYKYSLAFVGYGPETEEAVIELTYNWGVDKYELGTAYGHIALSVDNAAEACEKIRQNGGNVTREAGPVKGGTTVIAFVEDPDGYKIELIEEKDAGRGLGN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13421
Length:	135 (123)
Sequences:	2739 (1302)
Seq/√Len:	117.4

ECOLI - LGUL YAER
BACSU - YWBC YWKD YURT YQJC YETH
HALSA - Q9HQK8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
18_D	22_K	5.559	1.00
87_E	91_Q	4.452	1.00
81_N	84_E	2.983	1.00
78_S	126_E	2.585	1.00
28_L	31_T	2.545	1.00
13_L	42_A	2.474	1.00
95_N	114_E	2.357	1.00
12_D	15_R	2.243	1.00
38_K	62_G	2.084	1.00
90_R	99_E	2.032	1.00
89_I	94_G	1.900	1.00
21_T	27_K	1.836	1.00
88_K	92_N	1.817	1.00
33_E	40_S	1.765	1.00
11_G	63_V	1.750	1.00
114_E	120_K	1.667	1.00
23_V	92_N	1.587	1.00
63_V	70_T	1.584	1.00
26_M	46_Y	1.583	1.00
80_D	126_E	1.582	1.00
28_L	42_A	1.570	1.00
29_L	45_G	1.564	1.00
112_F	122_E	1.522	1.00
6_T	53_A	1.417	1.00
17_I	44_V	1.404	1.00
35_P	38_K	1.387	1.00
97_T	114_E	1.385	1.00
40_S	61_W	1.372	1.00
14_Q	18_D	1.369	1.00
27_K	47_G	1.335	1.00
16_S	57_L	1.335	1.00
10_V	13_L	1.318	1.00
26_M	77_L	1.298	1.00
34_N	39_Y	1.291	1.00
11_G	64_D	1.285	1.00
18_D	23_V	1.279	0.99
47_G	52_E	1.265	0.99
15_R	18_D	1.239	0.99
4_L	78_S	1.237	0.99
29_L	54_V	1.234	0.99
33_E	61_W	1.227	0.99
23_V	89_I	1.225	0.99
16_S	20_Y	1.217	0.99
11_G	65_K	1.213	0.99
24_L	113_V	1.205	0.99
87_E	90_R	1.193	0.99
31_T	42_A	1.186	0.99
47_G	51_E	1.152	0.99
85_A	88_K	1.118	0.99
77_L	121_I	1.102	0.98
72_Y	75_I	1.083	0.98
97_T	120_K	1.079	0.98
110_I	124_I	1.062	0.98
49_E	54_V	1.061	0.98
86_C	90_R	1.052	0.98
66_Y	69_G	1.051	0.98
74_H	122_E	1.047	0.98
84_E	88_K	1.045	0.98
86_C	111_A	1.042	0.98
55_I	75_I	1.035	0.98
15_R	117_D	1.028	0.98
4_L	124_I	1.025	0.98
89_I	111_A	1.025	0.98
75_I	121_I	1.019	0.97
38_K	61_W	1.009	0.97
16_S	117_D	1.007	0.97
22_K	92_N	1.002	0.97
11_G	15_R	0.998	0.97
89_I	123_L	0.992	0.97
46_Y	77_L	0.989	0.97
41_L	58_T	0.980	0.97
74_H	112_F	0.978	0.97
20_Y	115_D	0.958	0.96
5_H	76_A	0.943	0.96
13_L	59_Y	0.938	0.96
31_T	40_S	0.938	0.96
34_N	37_Y	0.913	0.95
30_R	49_E	0.912	0.95
42_A	59_Y	0.905	0.95
35_P	61_W	0.898	0.95
46_Y	51_E	0.882	0.94
2_R	78_S	0.882	0.94
83_A	87_E	0.882	0.94
114_E	118_G	0.866	0.94
6_T	75_I	0.856	0.93
24_L	123_L	0.855	0.93
14_Q	31_T	0.853	0.93
39_Y	103_V	0.839	0.93
28_L	40_S	0.830	0.92
88_K	91_Q	0.828	0.92
8_L	20_Y	0.826	0.92
40_S	59_Y	0.825	0.92
45_G	54_V	0.822	0.92
68_L	118_G	0.813	0.91
7_M	60_N	0.808	0.91
30_R	54_V	0.796	0.91
4_L	54_V	0.796	0.91
34_N	38_K	0.787	0.90
56_E	60_N	0.784	0.90
10_V	18_D	0.781	0.90
67_E	70_T	0.777	0.89
39_Y	60_N	0.775	0.89
3_L	75_I	0.764	0.89
33_E	59_Y	0.761	0.88
98_R	104_K	0.753	0.88
98_R	102_P	0.741	0.87
7_M	73_G	0.736	0.87
83_A	102_P	0.731	0.86
8_L	75_I	0.730	0.86
46_Y	50_T	0.724	0.86
32_S	41_L	0.719	0.85
68_L	71_A	0.718	0.85
79_V	85_A	0.718	0.85
99_E	104_K	0.717	0.85
99_E	102_P	0.717	0.85
47_G	50_T	0.715	0.85
37_Y	61_W	0.715	0.85
7_M	58_T	0.712	0.85
16_S	116_P	0.706	0.84
86_C	95_N	0.689	0.83
109_V	125_E	0.686	0.83
111_A	123_L	0.684	0.83
68_L	72_Y	0.679	0.82
5_H	74_H	0.670	0.81
49_E	53_A	0.667	0.81
16_S	115_D	0.665	0.81
53_A	75_I	0.665	0.81
34_N	41_L	0.664	0.81
18_D	21_T	0.659	0.80
82_A	109_V	0.659	0.80
96_V	114_E	0.653	0.80
84_E	87_E	0.652	0.79
21_T	44_V	0.649	0.79
22_K	88_K	0.646	0.79
44_V	55_I	0.646	0.79
9_R	60_N	0.638	0.78
5_H	56_E	0.637	0.78
39_Y	58_T	0.636	0.78
82_A	125_E	0.636	0.78
9_R	119_Y	0.630	0.77
60_N	66_Y	0.627	0.77
43_F	56_E	0.620	0.76
24_L	77_L	0.618	0.76
94_G	113_V	0.615	0.75
102_P	108_T	0.611	0.75
27_K	30_R	0.610	0.75
90_R	96_V	0.601	0.74
17_I	21_T	0.587	0.72
73_G	112_F	0.578	0.71
31_T	61_W	0.575	0.70
3_L	46_Y	0.575	0.70
23_V	94_G	0.574	0.70
85_A	89_I	0.574	0.70
18_D	92_N	0.574	0.70
80_D	127_K	0.573	0.70
2_R	50_T	0.571	0.70
69_G	118_G	0.569	0.70
83_A	109_V	0.566	0.69
111_A	122_E	0.563	0.69
78_S	82_A	0.558	0.68
32_S	35_P	0.556	0.68
4_L	76_A	0.555	0.68
76_A	112_F	0.554	0.68
99_E	103_V	0.552	0.67
2_R	54_V	0.551	0.67
6_T	71_A	0.546	0.66
96_V	99_E	0.543	0.66
96_V	120_K	0.532	0.65
60_N	72_Y	0.531	0.64
6_T	43_F	0.527	0.64
19_F	113_V	0.520	0.63
50_T	54_V	0.519	0.63
82_A	110_I	0.514	0.62
41_L	60_N	0.512	0.62
34_N	103_V	0.511	0.61
58_T	66_Y	0.510	0.61
39_Y	105_G	0.510	0.61
49_E	52_E	0.507	0.61
98_R	111_A	0.507	0.61
88_K	95_N	0.506	0.61
44_V	54_V	0.503	0.60
9_R	72_Y	0.503	0.60
8_L	72_Y	0.501	0.60
32_S	37_Y	0.500	0.60

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
1f9zA	2	0.9481	99.9	0.445	Contact Map
4mtsA	2	0.9556	99.9	0.459	Contact Map
2c21A	2	0.963	99.9	0.477	Contact Map
3w0tA	2	0.9704	99.9	0.479	Contact Map
4ro6A	1	1	99.8	0.495	Contact Map
3zi1A	1	0.9259	99.8	0.505	Contact Map
1ss4A	4	0.9185	99.8	0.515	Contact Map
3hdpA	2	0.8963	99.8	0.517	Contact Map
3rmuA	4	0.9037	99.8	0.522	Contact Map
2p25A	2	0.8889	99.8	0.53	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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