MOAE - ECOLI - GREMLIN Contacts

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MOAE - Molybdopterin synthase catalytic subunit

UniProt:	P30749	Sequences: MAETKIVVGPQPFSVGEEYPWLAERDEDGAVVTFTGKVRNHNLGDSVNALTLEHYPGMTEKALAEIVDEARNRWPLGRVTVIHRIGELWPGDEIVFVGVTSAHRSSAFEAGQFIMDYLKTRAPFWKREATPEGDRWVEARESDQQAAKRW	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11598
Length:	150 (133)
Sequences:	2719 (1735)
Seq/√Len:	150.4

ECOLI - MOAE
BACSU - MOAE
HALSA - Q9HST6
SULSO - Q7LYJ4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
105_S	112_Q	2.953	1.00
62_A	65_E	2.927	1.00
49_A	87_E	2.817	1.00
51_T	87_E	2.636	1.00
108_F	111_G	2.547	1.00
12_P	93_E	2.460	1.00
109_E	112_Q	2.324	1.00
14_S	17_E	2.201	1.00
67_V	79_V	2.116	1.00
32_V	111_G	2.065	1.00
38_V	88_L	2.041	1.00
117_Y	121_R	1.971	1.00
64_A	68_D	1.949	1.00
63_L	81_V	1.915	1.00
51_T	127_R	1.883	1.00
69_E	121_R	1.831	1.00
22_L	98_G	1.814	1.00
105_S	109_E	1.795	1.00
67_V	81_V	1.781	1.00
46_S	131_P	1.775	1.00
16_G	20_P	1.774	1.00
18_E	82_I	1.771	1.00
49_A	129_A	1.756	1.00
18_E	80_T	1.745	1.00
32_V	108_F	1.743	1.00
95_V	118_L	1.663	1.00
8_V	85_I	1.606	1.00
28_D	77_G	1.547	1.00
95_V	115_M	1.483	1.00
73_R	113_F	1.461	1.00
19_Y	33_T	1.454	1.00
101_S	107_A	1.441	1.00
70_A	114_I	1.433	1.00
97_V	115_M	1.428	1.00
32_V	107_A	1.369	1.00
66_I	114_I	1.358	1.00
79_V	99_V	1.344	1.00
62_A	121_R	1.334	1.00
68_D	72_N	1.313	1.00
74_W	113_F	1.313	1.00
69_E	117_Y	1.288	1.00
74_W	110_A	1.276	1.00
42_N	47_V	1.272	1.00
106_S	109_E	1.272	1.00
117_Y	120_T	1.270	1.00
70_A	113_F	1.265	1.00
52_L	94_I	1.261	1.00
65_E	69_E	1.253	1.00
88_L	92_D	1.247	1.00
15_V	19_Y	1.220	1.00
99_V	110_A	1.214	1.00
69_E	72_N	1.200	1.00
10_P	85_I	1.188	1.00
57_G	60_E	1.179	1.00
79_V	114_I	1.176	1.00
17_E	21_W	1.164	1.00
28_D	100_T	1.159	1.00
13_F	82_I	1.135	1.00
18_E	96_F	1.132	1.00
76_L	110_A	1.111	0.99
56_P	60_E	1.109	0.99
75_P	106_S	1.091	0.99
52_L	124_F	1.065	0.99
69_E	73_R	1.060	0.99
13_F	96_F	1.022	0.99
10_P	56_P	1.020	0.99
60_E	64_A	1.018	0.99
108_F	112_Q	1.018	0.99
67_V	71_R	1.017	0.99
45_D	132_E	1.015	0.99
26_D	91_G	1.015	0.99
35_T	96_F	1.008	0.99
81_V	114_I	1.006	0.99
51_T	129_A	1.005	0.99
88_L	94_I	0.998	0.99
19_Y	98_G	0.993	0.99
108_F	115_M	0.985	0.99
99_V	108_F	0.949	0.98
19_Y	35_T	0.930	0.98
77_G	102_A	0.924	0.98
15_V	93_E	0.923	0.98
113_F	117_Y	0.911	0.98
31_V	100_T	0.909	0.98
62_A	122_A	0.905	0.98
27_E	40_N	0.900	0.98
28_D	78_R	0.898	0.97
61_K	65_E	0.894	0.97
74_W	109_E	0.883	0.97
130_T	135_R	0.878	0.97
38_V	50_L	0.873	0.97
81_V	118_L	0.867	0.97
18_E	21_W	0.865	0.97
54_H	85_I	0.865	0.97
87_E	129_A	0.860	0.97
80_T	98_G	0.850	0.97
45_D	134_D	0.848	0.96
111_G	115_M	0.848	0.96
14_S	20_P	0.839	0.96
20_P	24_E	0.836	0.96
30_A	99_V	0.831	0.96
68_D	71_R	0.828	0.96
60_E	63_L	0.823	0.96
22_L	80_T	0.820	0.96
70_A	74_W	0.815	0.96
89_W	92_D	0.813	0.96
97_V	116_D	0.801	0.95
61_K	64_A	0.790	0.95
62_A	123_P	0.787	0.95
129_A	134_D	0.781	0.94
7_V	82_I	0.780	0.94
39_R	103_H	0.757	0.93
107_A	111_G	0.754	0.93
71_R	78_R	0.748	0.93
38_V	94_I	0.740	0.93
113_F	116_D	0.737	0.93
45_D	135_R	0.737	0.93
31_V	37_K	0.729	0.92
71_R	79_V	0.718	0.92
71_R	74_W	0.717	0.91
32_V	35_T	0.716	0.91
112_Q	116_D	0.715	0.91
40_N	46_S	0.715	0.91
49_A	89_W	0.713	0.91
27_E	77_G	0.712	0.91
48_N	131_P	0.703	0.91
62_A	117_Y	0.703	0.91
9_G	13_F	0.702	0.91
26_D	40_N	0.702	0.91
71_R	76_L	0.700	0.91
45_D	130_T	0.700	0.91
101_S	106_S	0.699	0.90
21_W	80_T	0.689	0.90
65_E	68_D	0.683	0.89
8_V	54_H	0.683	0.89
22_L	78_R	0.681	0.89
6_I	67_V	0.677	0.89
70_A	76_L	0.671	0.89
59_T	122_A	0.671	0.89
94_I	118_L	0.668	0.88
37_K	95_V	0.666	0.88
90_P	117_Y	0.659	0.88
33_T	98_G	0.656	0.87
84_R	88_L	0.656	0.87
27_E	41_H	0.653	0.87
22_L	100_T	0.652	0.87
63_L	66_I	0.651	0.87
7_V	18_E	0.650	0.87
112_Q	115_M	0.648	0.87
38_V	59_T	0.647	0.87
66_I	121_R	0.643	0.86
55_Y	58_M	0.642	0.86
7_V	60_E	0.639	0.86
71_R	75_P	0.638	0.86
25_R	28_D	0.634	0.86
25_R	78_R	0.628	0.85
99_V	111_G	0.626	0.85
53_E	58_M	0.626	0.85
59_T	124_F	0.623	0.85
43_L	135_R	0.616	0.84
93_E	96_F	0.608	0.83
15_V	35_T	0.608	0.83
41_H	47_V	0.607	0.83
63_L	122_A	0.606	0.83
33_T	96_F	0.599	0.82
17_E	20_P	0.593	0.82
66_I	116_D	0.589	0.81
66_I	117_Y	0.584	0.81
54_H	59_T	0.582	0.80
35_T	93_E	0.582	0.80
53_E	127_R	0.580	0.80
56_P	85_I	0.573	0.79
99_V	114_I	0.570	0.79
42_N	130_T	0.569	0.79
65_E	121_R	0.569	0.79
80_T	100_T	0.566	0.79
30_A	107_A	0.561	0.78
8_V	63_L	0.544	0.76
75_P	102_A	0.543	0.76
57_G	114_I	0.540	0.75
42_N	137_V	0.536	0.75
81_V	97_V	0.532	0.74
111_G	137_V	0.530	0.74
80_T	96_F	0.528	0.74
40_N	47_V	0.524	0.73
43_L	46_S	0.522	0.73
82_I	85_I	0.522	0.73
28_D	37_K	0.521	0.73
20_P	48_N	0.521	0.73
7_V	80_T	0.519	0.72
24_E	37_K	0.518	0.72
25_R	77_G	0.515	0.72
41_H	102_A	0.510	0.71
9_G	17_E	0.508	0.71
48_N	129_A	0.508	0.71
55_Y	128_E	0.507	0.71
8_V	60_E	0.507	0.71
135_R	138_E	0.505	0.70
130_T	133_G	0.504	0.70
21_W	82_I	0.502	0.70
50_L	137_V	0.500	0.70

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
1fm0E	2	0.9467	100	0.071	Contact Map
2q5wE	2	0.9067	100	0.129	Contact Map
2omdA	2	0.9267	100	0.131	Contact Map
2wp4A	2	0.8467	100	0.133	Contact Map
4ap8A	2	0.8733	100	0.185	Contact Map
3rpfA	2	0.94	100	0.208	Contact Map
2xexA	1	0.4533	29.7	0.938	Contact Map
4kiyV	1	0.4267	26.8	0.939	Contact Map
2dy1A	1	0.4667	20.5	0.942	Contact Map
4usiA	3	0.6267	15.4	0.946	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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