Ntox44 - PFAM28P - GREMLIN Contacts

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Ntox44 - Bacterial toxin 44

PFAM:	PF15607	Sequences: WFYNLVKTGGPWDYKPKIRKWFGTIGVGTYPGKFQGNGLYTYDDFGNIHYGYVGRAAGFSESTLLRGAGAAQIGSGTSRPYGDDPRDQAAIKIGIDLYKK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	100 (96)
Sequences:	1615 (1439)
Seq/√Len:	146.9
META:	0.85

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
54_G	64_L	5.312	1.00
7_K	10_G	3.937	1.00
61_E	95_I	3.170	1.00
49_H	53_V	3.046	1.00
5_L	11_P	2.695	1.00
48_I	97_L	2.677	1.00
55_R	95_I	2.422	1.00
60_S	63_T	2.354	1.00
14_Y	49_H	2.306	1.00
14_Y	46_G	2.245	1.00
65_L	88_Q	2.151	1.00
65_L	92_K	2.141	1.00
55_R	99_K	2.136	1.00
3_Y	7_K	2.062	1.00
55_R	61_E	2.031	1.00
71_A	75_S	1.973	1.00
44_D	90_A	1.892	1.00
59_F	63_T	1.637	1.00
8_T	71_A	1.629	1.00
92_K	96_D	1.610	1.00
61_E	92_K	1.551	1.00
12_W	49_H	1.495	1.00
52_Y	97_L	1.459	1.00
67_G	70_A	1.437	1.00
14_Y	45_F	1.361	1.00
56_A	98_Y	1.356	1.00
8_T	75_S	1.337	1.00
69_G	81_Y	1.318	1.00
55_R	98_Y	1.316	1.00
90_A	93_I	1.287	1.00
70_A	74_G	1.271	1.00
12_W	53_V	1.259	1.00
34_F	38_G	1.225	1.00
72_Q	83_D	1.219	1.00
50_Y	67_G	1.192	1.00
93_I	97_L	1.118	0.99
69_G	82_G	1.096	0.99
48_I	93_I	1.032	0.99
62_S	66_R	1.025	0.99
69_G	88_Q	1.010	0.99
64_L	95_I	0.971	0.98
67_G	71_A	0.928	0.98
89_A	93_I	0.927	0.98
6_V	54_G	0.920	0.98
40_Y	44_D	0.912	0.98
83_D	87_D	0.905	0.97
4_N	7_K	0.904	0.97
42_Y	45_F	0.900	0.97
3_Y	67_G	0.881	0.97
61_E	99_K	0.871	0.97
9_G	16_P	0.861	0.97
68_A	84_D	0.851	0.96
69_G	72_Q	0.851	0.96
14_Y	53_V	0.846	0.96
73_I	82_G	0.841	0.96
54_G	95_I	0.840	0.96
45_F	49_H	0.815	0.95
71_A	74_G	0.811	0.95
40_Y	48_I	0.803	0.95
24_T	27_V	0.787	0.94
61_E	96_D	0.780	0.94
44_D	48_I	0.779	0.94
17_K	20_K	0.775	0.94
48_I	52_Y	0.771	0.94
69_G	83_D	0.768	0.94
68_A	88_Q	0.763	0.93
2_F	67_G	0.751	0.93
43_D	87_D	0.747	0.93
93_I	96_D	0.740	0.92
29_T	32_G	0.736	0.92
68_A	83_D	0.731	0.92
4_N	10_G	0.729	0.92
26_G	29_T	0.720	0.91
86_R	89_A	0.702	0.90
77_T	80_P	0.699	0.90
8_T	16_P	0.696	0.90
2_F	5_L	0.696	0.90
92_K	95_I	0.695	0.90
41_T	46_G	0.689	0.89
44_D	86_R	0.679	0.89
2_F	50_Y	0.679	0.89
68_A	72_Q	0.670	0.88
3_Y	70_A	0.667	0.88
79_R	86_R	0.666	0.88
50_Y	64_L	0.662	0.87
96_D	99_K	0.662	0.87
8_T	74_G	0.653	0.87
48_I	90_A	0.650	0.86
41_T	44_D	0.650	0.86
2_F	14_Y	0.649	0.86
47_N	87_D	0.649	0.86
15_K	47_N	0.648	0.86
53_V	57_A	0.648	0.86
66_R	82_G	0.644	0.86
61_E	65_L	0.641	0.86
95_I	99_K	0.639	0.85
3_Y	10_G	0.639	0.85
2_F	53_V	0.637	0.85
30_Y	33_K	0.633	0.85
5_L	10_G	0.630	0.85
46_G	49_H	0.618	0.83
6_V	64_L	0.607	0.82
3_Y	63_T	0.606	0.82
88_Q	91_I	0.601	0.82
44_D	93_I	0.596	0.81
74_G	77_T	0.590	0.81
6_V	50_Y	0.588	0.80
3_Y	8_T	0.584	0.80
2_F	6_V	0.583	0.80
66_R	70_A	0.577	0.79
25_I	28_G	0.574	0.79
18_I	21_W	0.570	0.78
57_A	90_A	0.569	0.78
27_V	31_P	0.565	0.78
63_T	66_R	0.565	0.78
62_S	65_L	0.562	0.77
3_Y	71_A	0.562	0.77
69_G	73_I	0.560	0.77
40_Y	43_D	0.554	0.76
43_D	86_R	0.553	0.76
68_A	71_A	0.550	0.76
27_V	32_G	0.549	0.76
66_R	73_I	0.548	0.75
81_Y	88_Q	0.547	0.75
34_F	37_N	0.536	0.74
22_F	26_G	0.534	0.74
2_F	46_G	0.531	0.73
34_F	42_Y	0.529	0.73
64_L	91_I	0.529	0.73
84_D	87_D	0.526	0.73
68_A	75_S	0.523	0.72
68_A	91_I	0.520	0.72
89_A	92_K	0.520	0.72
24_T	32_G	0.519	0.72
59_F	64_L	0.515	0.71
18_I	22_F	0.514	0.71
20_K	30_Y	0.508	0.70
50_Y	63_T	0.507	0.70
74_G	78_S	0.507	0.70
23_G	26_G	0.506	0.70
43_D	72_Q	0.506	0.70
3_Y	74_G	0.505	0.69
31_P	34_F	0.505	0.69
74_G	99_K	0.500	0.69

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
2qjyB	1	0.34	6.4	0.905	Contact Map
3cx5D	2	0.36	3.2	0.918	Contact Map
1pp9D	2	0.35	2.3	0.923	Contact Map
1qvbA	3	0.52	2.1	0.926	Contact Map
4cd8A	1	0.68	1.7	0.929	Contact Map
4inoA	1	0.39	1.7	0.929	Contact Map
3craA	2	0.8	1.6	0.93	Contact Map
3ui3A	2	0.32	1.6	0.931	Contact Map
1nmlA	2	0.4	1.5	0.931	Contact Map
1uwiA	4	0.53	1.5	0.932	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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