PTJA - BACSU - GREMLIN Contacts

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PTJA - Lichenan-specific phosphotransferase enzyme IIA component

UniProt:	P46319	Sequences: MNEEMEQIIFQIILHGGNGRSSAMEAIAAAKSGDAEEARKKLQDAAEELSKAHHYQTELIQNEAGGEKTEMTLLMVHAQDHLMNAMTVKDMAAEIIELYEKITEQRGASI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	110 (100)
Sequences:	1388 (1035)
Seq/√Len:	103.5

ECOLI - PTQA
BACSU - PTJA PTEA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
39_R	100_E	4.458	1.00
29_A	34_D	3.198	1.00
34_D	37_E	3.038	1.00
31_K	94_E	3.002	1.00
31_K	97_E	2.984	1.00
23_A	45_A	2.726	1.00
62_N	67_E	2.617	1.00
29_A	41_K	2.280	1.00
22_S	44_D	2.199	1.00
15_H	48_E	2.187	1.00
27_I	92_A	2.136	1.00
46_A	89_K	1.915	1.00
95_I	98_L	1.911	1.00
18_N	48_E	1.787	1.00
29_A	37_E	1.776	1.00
28_A	94_E	1.593	1.00
56_Q	79_Q	1.552	1.00
37_E	41_K	1.532	1.00
37_E	40_K	1.532	1.00
46_A	93_A	1.502	1.00
10_F	14_L	1.498	1.00
14_L	18_N	1.471	1.00
42_L	96_I	1.467	1.00
71_M	76_V	1.450	1.00
40_K	44_D	1.355	0.99
25_E	41_K	1.344	0.99
35_A	103_T	1.344	0.99
22_S	41_K	1.342	0.99
98_L	102_I	1.329	0.99
41_K	44_D	1.296	0.99
43_Q	47_E	1.288	0.99
58_E	62_N	1.286	0.99
63_E	66_G	1.267	0.99
95_I	99_Y	1.245	0.99
51_K	54_H	1.194	0.99
39_R	43_Q	1.156	0.98
40_K	43_Q	1.143	0.98
27_I	95_I	1.136	0.98
57_T	79_Q	1.128	0.98
59_L	75_M	1.124	0.98
89_K	93_A	1.121	0.98
33_G	101_K	1.114	0.98
43_Q	46_A	1.106	0.98
35_A	100_E	1.092	0.98
9_I	75_M	1.088	0.98
29_A	32_S	1.082	0.97
47_E	51_K	1.041	0.97
30_A	96_I	1.036	0.97
16_G	52_A	1.028	0.96
61_Q	65_G	1.009	0.96
56_Q	86_M	0.999	0.96
24_M	88_V	0.984	0.95
75_M	78_A	0.976	0.95
50_S	54_H	0.953	0.95
24_M	90_D	0.936	0.94
44_D	47_E	0.932	0.94
13_I	78_A	0.923	0.94
62_N	69_T	0.922	0.94
4_E	7_Q	0.921	0.94
21_S	25_E	0.911	0.93
9_I	73_L	0.889	0.92
84_N	88_V	0.873	0.92
20_R	90_D	0.866	0.91
27_I	91_M	0.865	0.91
6_E	74_L	0.864	0.91
81_H	86_M	0.849	0.91
23_A	85_A	0.846	0.90
9_I	74_L	0.834	0.90
83_M	87_T	0.833	0.90
48_E	51_K	0.825	0.89
30_A	99_Y	0.798	0.88
30_A	35_A	0.791	0.87
55_Y	58_E	0.769	0.86
24_M	92_A	0.769	0.86
81_H	90_D	0.765	0.85
23_A	42_L	0.763	0.85
62_N	65_G	0.756	0.85
23_A	89_K	0.752	0.84
79_Q	86_M	0.747	0.84
16_G	85_A	0.745	0.84
88_V	92_A	0.739	0.83
11_Q	15_H	0.738	0.83
79_Q	84_N	0.734	0.83
7_Q	11_Q	0.714	0.81
56_Q	84_N	0.708	0.81
5_M	75_M	0.706	0.80
76_V	79_Q	0.705	0.80
21_S	24_M	0.700	0.80
31_K	99_Y	0.698	0.80
60_I	64_A	0.688	0.79
45_A	89_K	0.687	0.79
56_Q	81_H	0.685	0.78
15_H	51_K	0.684	0.78
24_M	87_T	0.679	0.78
23_A	92_A	0.664	0.76
22_S	48_E	0.662	0.76
63_E	72_T	0.661	0.76
18_N	22_S	0.658	0.76
31_K	101_K	0.658	0.76
59_L	73_L	0.646	0.74
16_G	81_H	0.644	0.74
40_K	47_E	0.642	0.74
39_R	93_A	0.636	0.73
76_V	81_H	0.634	0.73
87_T	90_D	0.633	0.73
60_I	73_L	0.631	0.72
20_R	87_T	0.629	0.72
45_A	49_L	0.623	0.72
9_I	14_L	0.613	0.70
63_E	74_L	0.609	0.70
88_V	91_M	0.608	0.70
36_E	40_K	0.605	0.69
34_D	40_K	0.605	0.69
44_D	48_E	0.584	0.67
47_E	50_S	0.584	0.67
15_H	18_N	0.578	0.66
32_S	36_E	0.576	0.66
20_R	84_N	0.572	0.65
16_G	87_T	0.568	0.64
42_L	93_A	0.564	0.64
60_I	76_V	0.564	0.64
84_N	87_T	0.557	0.63
11_Q	51_K	0.550	0.62
45_A	90_D	0.549	0.62
27_I	31_K	0.545	0.61
18_N	81_H	0.543	0.61
49_L	86_M	0.541	0.61
31_K	98_L	0.540	0.61
87_T	92_A	0.540	0.61
72_T	75_M	0.539	0.60
51_K	55_Y	0.539	0.60
12_I	16_G	0.538	0.60
26_A	30_A	0.537	0.60
28_A	31_K	0.537	0.60
60_I	78_A	0.536	0.60
86_M	89_K	0.534	0.60
36_E	43_Q	0.527	0.59
54_H	93_A	0.523	0.58
30_A	38_A	0.523	0.58
6_E	78_A	0.519	0.58
8_I	58_E	0.517	0.57
38_A	92_A	0.516	0.57
33_G	99_Y	0.516	0.57
23_A	38_A	0.516	0.57
85_A	88_V	0.511	0.56
36_E	39_R	0.511	0.56
61_Q	64_A	0.507	0.56
5_M	70_E	0.507	0.56
10_F	66_G	0.505	0.56
96_I	99_Y	0.500	0.55

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
2e2aA	3	0.9364	100	0.089	Contact Map
3l8rA	3	0.9182	100	0.094	Contact Map
1wcrA	3	0.9364	100	0.098	Contact Map
3k1sA	6	0.9636	100	0.102	Contact Map
3h87C	3	0.2455	12.4	0.928	Contact Map
4udxX	2	0.9091	7.6	0.935	Contact Map
1z96A	1	0.3455	6.5	0.937	Contact Map
3ieeA	1	0.9818	4.8	0.941	Contact Map
3shgA	1	0.4455	4.7	0.941	Contact Map
4m0mA	1	0.4091	4.5	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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