MGSA - BACSU - GREMLIN Contacts

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MGSA - Methylglyoxal synthase

UniProt:	P42980	Sequences: MKIALIAHDKKKQDMVQFTTAYRDILKNHDLYATGTTGLKIHEATGLQIERFQSGPLGGDQQIGALIAANALDLVIFLRDPLTAQPHEPDVSALIRLCDVYSIPLATNMGTAEILVRTLDEGVFEFRDLLRGEEPNV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	137 (121)
Sequences:	1263 (622)
Seq/√Len:	56.6

ECOLI - MGSA
BACSU - MGSA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
42_H	51_R	4.072	1.00
2_K	30_D	3.543	1.00
23_R	46_G	2.410	1.00
19_T	26_L	2.325	1.00
18_F	78_L	2.292	1.00
111_T	115_L	2.272	1.00
78_L	109_M	2.253	1.00
33_A	38_G	2.224	1.00
2_K	32_Y	2.188	1.00
21_A	113_E	2.093	1.00
79_R	99_D	2.028	1.00
39_L	43_E	1.949	1.00
66_L	71_A	1.923	1.00
53_Q	68_A	1.914	1.00
61_Q	64_G	1.874	1.00
29_H	73_D	1.866	1.00
6_I	63_I	1.848	0.99
4_A	63_I	1.828	0.99
3_I	74_L	1.814	0.99
64_G	93_A	1.779	0.99
52_F	66_L	1.766	0.99
53_Q	101_Y	1.743	0.99
36_T	54_S	1.741	0.99
32_Y	66_L	1.711	0.99
61_Q	93_A	1.694	0.99
62_Q	69_A	1.688	0.99
13_Q	40_K	1.652	0.99
18_F	113_E	1.560	0.98
50_E	66_L	1.542	0.98
16_V	40_K	1.533	0.98
11_K	14_D	1.517	0.98
38_G	51_R	1.505	0.98
19_T	41_I	1.445	0.97
67_I	75_V	1.443	0.97
99_D	107_T	1.420	0.97
10_K	83_T	1.399	0.96
32_Y	72_L	1.395	0.96
88_E	92_S	1.391	0.96
39_L	51_R	1.385	0.96
18_F	116_V	1.358	0.96
21_A	109_M	1.335	0.95
6_I	75_V	1.325	0.95
15_M	41_I	1.294	0.94
74_L	115_L	1.273	0.94
23_R	27_K	1.254	0.93
43_E	51_R	1.217	0.92
56_P	87_H	1.202	0.92
20_T	44_A	1.197	0.92
40_K	44_A	1.196	0.92
24_D	27_K	1.192	0.92
35_G	51_R	1.176	0.91
13_Q	17_Q	1.165	0.91
2_K	72_L	1.154	0.90
61_Q	97_L	1.133	0.89
56_P	60_D	1.126	0.89
41_I	45_T	1.126	0.89
52_F	72_L	1.081	0.87
114_I	118_T	1.081	0.87
18_F	22_Y	1.073	0.87
22_Y	25_I	1.060	0.86
32_Y	52_F	1.031	0.84
3_I	29_H	1.027	0.84
72_L	102_S	1.027	0.84
22_Y	113_E	0.947	0.79
67_I	91_V	0.923	0.77
21_A	122_G	0.914	0.77
92_S	99_D	0.902	0.76
66_L	69_A	0.893	0.75
42_H	48_Q	0.893	0.75
14_D	109_M	0.880	0.74
87_H	90_D	0.880	0.74
29_H	74_L	0.868	0.73
2_K	29_H	0.868	0.73
95_I	105_L	0.865	0.72
29_H	118_T	0.864	0.72
9_D	12_K	0.861	0.72
104_P	110_G	0.861	0.72
42_H	46_G	0.857	0.72
32_Y	50_E	0.849	0.71
56_P	90_D	0.830	0.69
54_S	60_D	0.826	0.69
21_A	25_I	0.815	0.68
15_M	26_L	0.815	0.68
60_D	87_H	0.810	0.67
27_K	30_D	0.809	0.67
70_N	122_G	0.804	0.67
17_Q	21_A	0.803	0.67
52_F	63_I	0.800	0.66
19_T	45_T	0.799	0.66
21_A	70_N	0.791	0.66
33_A	41_I	0.788	0.65
56_P	91_V	0.785	0.65
79_R	83_T	0.782	0.65
52_F	118_T	0.778	0.64
106_A	111_T	0.774	0.64
98_C	101_Y	0.745	0.61
85_Q	93_A	0.745	0.61
25_I	117_R	0.739	0.60
22_Y	118_T	0.739	0.60
20_T	23_R	0.737	0.60
18_F	107_T	0.732	0.60
17_Q	20_T	0.731	0.59
54_S	87_H	0.724	0.59
54_S	86_P	0.724	0.59
114_I	117_R	0.717	0.58
20_T	122_G	0.716	0.58
86_P	100_V	0.714	0.58
30_D	50_E	0.713	0.58
86_P	91_V	0.712	0.57
67_I	97_L	0.711	0.57
13_Q	44_A	0.709	0.57
64_G	90_D	0.696	0.56
98_C	105_L	0.694	0.56
79_R	92_S	0.688	0.55
79_R	88_E	0.679	0.54
26_L	76_I	0.677	0.54
72_L	103_I	0.674	0.53
28_N	120_D	0.673	0.53
36_T	87_H	0.670	0.53
87_H	91_V	0.663	0.52
79_R	89_P	0.658	0.52
115_L	118_T	0.649	0.51
41_I	44_A	0.649	0.51
75_V	98_C	0.645	0.50
79_R	105_L	0.645	0.50
119_L	122_G	0.643	0.50
80_D	94_L	0.640	0.50
61_Q	68_A	0.638	0.49
56_P	82_L	0.633	0.49
82_L	87_H	0.632	0.49
79_R	107_T	0.631	0.49
56_P	94_L	0.630	0.49
57_L	101_Y	0.629	0.48
5_L	19_T	0.624	0.48
117_R	121_E	0.615	0.47
23_R	42_H	0.603	0.46
23_R	45_T	0.601	0.45
60_D	90_D	0.596	0.45
106_A	115_L	0.591	0.44
10_K	85_Q	0.583	0.43
32_Y	38_G	0.583	0.43
53_Q	69_A	0.578	0.43
77_F	87_H	0.578	0.43
55_G	60_D	0.578	0.43
79_R	101_Y	0.578	0.43
60_D	86_P	0.577	0.43
5_L	41_I	0.567	0.42
20_T	50_E	0.565	0.42
82_L	86_P	0.563	0.41
6_I	52_F	0.562	0.41
4_A	66_L	0.562	0.41
60_D	100_V	0.560	0.41
30_D	48_Q	0.559	0.41
79_R	95_I	0.556	0.41
90_D	96_R	0.554	0.40
17_Q	109_M	0.551	0.40
14_D	17_Q	0.546	0.40
56_P	86_P	0.545	0.39
99_D	104_P	0.542	0.39
34_T	77_F	0.542	0.39
18_F	110_G	0.539	0.39
41_I	101_Y	0.538	0.39
95_I	107_T	0.537	0.39
23_R	48_Q	0.534	0.38
3_I	117_R	0.530	0.38
62_Q	110_G	0.530	0.38
62_Q	101_Y	0.528	0.38
56_P	100_V	0.527	0.38
21_A	110_G	0.527	0.38
64_G	91_V	0.523	0.37
18_F	79_R	0.521	0.37
92_S	101_Y	0.518	0.37
52_F	57_L	0.516	0.36
86_P	89_P	0.515	0.36
12_K	34_T	0.513	0.36
65_A	68_A	0.510	0.36
30_D	119_L	0.509	0.36
56_P	96_R	0.508	0.36
2_K	71_A	0.504	0.35
9_D	80_D	0.504	0.35
16_V	45_T	0.504	0.35
15_M	53_Q	0.500	0.35

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
2xw6A	5	0.927	100	0.426	Contact Map
1vmdA	5	0.9927	100	0.45	Contact Map
1b93A	5	0.9927	100	0.455	Contact Map
2yvqA	2	0.8175	99.9	0.581	Contact Map
1a9xA	3	0.9416	99.9	0.597	Contact Map
3zzmA	2	0.9708	95.8	0.886	Contact Map
1g8mA	2	0.9708	95.4	0.89	Contact Map
1zczA	2	0.8978	93.5	0.9	Contact Map
2pfzA	1	0.7956	58.8	0.932	Contact Map
3fxbA	1	0.7518	48.9	0.936	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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