PTEA - BACSU - GREMLIN Contacts

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PTEA - Oligo-beta-mannoside-specific phosphotransferase enzyme IIA component

UniProt:	O05506	Sequences: MEQMKITNLTDEQISFQLILHSGNARSCIIQSLRAYKEGKKDEADALIAKAEQDLSAAHDIHFQMIQKESGGEATAFSLLLMHAEDHLMSTLSMKELVKEMLDLFKTKNI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	110 (98)
Sequences:	1382 (1005)
Seq/√Len:	101.5

ECOLI - PTQA
BACSU - PTEA PTJA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
45_D	106_K	4.429	1.00
35_A	40_K	3.183	1.00
40_K	43_E	3.067	1.00
37_K	103_D	2.992	1.00
37_K	100_E	2.986	1.00
29_I	51_A	2.709	1.00
68_K	73_E	2.572	1.00
35_A	47_L	2.246	1.00
28_C	50_K	2.238	1.00
21_H	54_D	2.185	1.00
33_L	98_V	2.143	1.00
101_M	104_L	1.953	1.00
52_E	95_K	1.882	1.00
35_A	43_E	1.798	1.00
24_N	54_D	1.790	1.00
34_R	100_E	1.566	1.00
43_E	47_L	1.527	1.00
62_H	85_E	1.519	1.00
52_E	99_K	1.514	1.00
43_E	46_A	1.487	1.00
77_F	82_M	1.487	1.00
48_I	102_L	1.480	1.00
20_L	24_N	1.466	1.00
16_F	20_L	1.440	1.00
28_C	47_L	1.404	1.00
31_Q	47_L	1.375	0.99
46_A	50_K	1.351	0.99
47_L	50_K	1.318	0.99
49_A	53_Q	1.318	0.99
101_M	105_F	1.300	0.99
64_Q	68_K	1.271	0.99
69_E	72_G	1.239	0.99
57_A	60_D	1.216	0.99
46_A	49_A	1.205	0.99
95_K	99_K	1.146	0.98
33_L	101_M	1.138	0.98
65_M	81_L	1.120	0.98
45_D	49_A	1.114	0.98
41_K	106_K	1.103	0.98
39_G	107_T	1.097	0.97
36_Y	102_L	1.093	0.97
49_A	52_E	1.092	0.97
53_Q	57_A	1.077	0.97
63_F	85_E	1.077	0.97
15_S	81_L	1.069	0.97
35_A	38_E	1.046	0.97
67_Q	71_G	1.038	0.96
22_S	58_A	1.022	0.96
56_S	60_D	1.021	0.96
30_I	96_E	0.986	0.95
81_L	84_A	0.982	0.95
62_H	92_L	0.976	0.95
27_S	31_Q	0.956	0.94
10_T	13_Q	0.942	0.94
30_I	94_M	0.938	0.94
50_K	53_Q	0.926	0.93
19_I	84_A	0.907	0.93
26_R	96_E	0.897	0.92
90_S	94_M	0.888	0.92
68_K	75_T	0.886	0.92
54_D	57_A	0.844	0.90
87_H	92_L	0.836	0.89
36_Y	105_F	0.830	0.89
29_I	91_T	0.829	0.89
36_Y	41_K	0.826	0.89
15_S	79_L	0.822	0.89
89_M	93_S	0.821	0.88
33_L	97_L	0.815	0.88
15_S	80_L	0.811	0.88
29_I	48_I	0.810	0.88
12_E	80_L	0.802	0.87
87_H	96_E	0.774	0.85
29_I	95_K	0.771	0.85
68_K	71_G	0.770	0.85
37_K	107_T	0.747	0.83
61_I	64_Q	0.744	0.83
17_Q	21_H	0.738	0.83
30_I	98_V	0.737	0.82
37_K	105_F	0.730	0.82
85_E	90_S	0.728	0.82
85_E	92_L	0.726	0.82
21_H	57_A	0.721	0.81
27_S	30_I	0.716	0.81
62_H	90_S	0.692	0.78
65_M	79_L	0.687	0.78
22_S	91_T	0.685	0.78
46_A	53_Q	0.684	0.78
94_M	98_V	0.682	0.77
62_H	87_H	0.681	0.77
51_A	95_K	0.681	0.77
82_M	85_E	0.680	0.77
13_Q	17_Q	0.673	0.76
66_I	70_S	0.672	0.76
11_D	81_L	0.669	0.76
42_D	46_A	0.668	0.76
29_I	98_V	0.663	0.75
28_C	54_D	0.663	0.75
24_N	28_C	0.663	0.75
45_D	99_K	0.655	0.74
26_R	93_S	0.652	0.74
15_S	20_L	0.642	0.73
22_S	87_H	0.641	0.73
66_I	79_L	0.637	0.72
93_S	96_E	0.633	0.72
30_I	93_S	0.631	0.72
82_M	87_H	0.628	0.71
38_E	42_D	0.628	0.71
69_E	78_S	0.617	0.70
94_M	97_L	0.606	0.69
69_E	80_L	0.601	0.68
53_Q	56_S	0.596	0.67
40_K	46_A	0.594	0.67
78_S	81_L	0.591	0.67
51_A	55_L	0.584	0.66
21_H	24_N	0.582	0.66
26_R	90_S	0.581	0.65
66_I	82_M	0.580	0.65
44_A	98_V	0.576	0.65
50_K	54_D	0.573	0.64
42_D	49_A	0.567	0.64
48_I	99_K	0.565	0.63
60_D	99_K	0.563	0.63
57_A	61_I	0.561	0.63
14_I	64_Q	0.557	0.62
18_L	22_S	0.557	0.62
22_S	93_S	0.555	0.62
49_A	103_D	0.548	0.61
36_Y	44_A	0.548	0.61
55_L	92_L	0.542	0.60
37_K	104_L	0.539	0.60
12_E	15_S	0.536	0.59
32_S	36_Y	0.535	0.59
90_S	93_S	0.535	0.59
16_F	72_G	0.529	0.58
93_S	98_V	0.528	0.58
34_R	37_K	0.525	0.58
42_D	45_D	0.525	0.58
91_T	94_M	0.516	0.56
92_L	95_K	0.516	0.56
39_G	105_F	0.514	0.56
11_D	61_I	0.511	0.56
30_I	33_L	0.507	0.55
33_L	37_K	0.505	0.55
15_S	82_M	0.502	0.54
51_A	96_E	0.501	0.54
24_N	87_H	0.501	0.54
66_I	84_A	0.500	0.54

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
3l8rA	3	0.9273	100	0.059	Contact Map
2e2aA	3	0.9455	100	0.078	Contact Map
1wcrA	3	0.9364	100	0.089	Contact Map
3k1sA	6	0.9636	100	0.091	Contact Map
3ieeA	1	0.9818	7.9	0.933	Contact Map
4udxX	2	0.9364	6.2	0.936	Contact Map
4lpzC	2	0.1818	5.2	0.939	Contact Map
2j7aA	5	0.9545	5.2	0.939	Contact Map
1oahA	2	0.9364	4.8	0.94	Contact Map
4mgeA	3	0.8182	4.1	0.942	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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