ACYP - SULSO - GREMLIN Contacts

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ACYP - Acylphosphatase

UniProt:	Q97ZL0	Sequences: MKKWSDTEVFEMLKRMYARVYGLVQGVGFRKFVQIHAIRLGIKGYAKNLPDGSVEVVAEGYEEALSKLLERIKQGPPAAEVEKVDYSFSEYKGEFEDFETY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	101 (85)
Sequences:	2158 (1669)
Seq/√Len:	181.0

ECOLI - ACYP HYPF
BACSU - ACYP
SULSO - ACYP

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
32_F	71_R	2.823	1.00
58_A	68_L	2.729	1.00
19_R	53_S	2.641	1.00
36_H	39_R	2.502	1.00
28_G	31_K	2.352	1.00
15_R	59_E	2.239	1.00
21_Y	53_S	2.237	1.00
21_Y	83_K	2.179	1.00
59_E	93_G	2.092	1.00
49_L	55_E	2.091	1.00
15_R	57_V	1.740	1.00
18_A	72_I	1.659	1.00
18_A	69_L	1.645	1.00
17_Y	55_E	1.621	1.00
34_Q	38_I	1.606	1.00
76_P	79_A	1.525	1.00
49_L	53_S	1.468	1.00
56_V	72_I	1.433	1.00
14_K	65_L	1.430	1.00
18_A	58_A	1.423	1.00
18_A	56_V	1.418	1.00
16_M	88_F	1.398	1.00
43_K	97_D	1.344	1.00
33_V	68_L	1.323	1.00
18_A	86_Y	1.321	1.00
62_E	66_S	1.311	1.00
69_L	86_Y	1.287	1.00
14_K	62_E	1.282	1.00
33_V	72_I	1.238	1.00
58_A	72_I	1.226	1.00
14_K	88_F	1.169	1.00
15_R	95_F	1.145	1.00
47_K	55_E	1.130	1.00
75_G	79_A	1.125	1.00
31_K	35_I	1.124	1.00
17_Y	89_S	1.115	1.00
17_Y	45_Y	1.114	1.00
36_H	71_R	1.108	1.00
31_K	34_Q	1.104	1.00
46_A	56_V	1.080	1.00
21_Y	85_D	1.050	1.00
61_Y	64_A	1.037	1.00
66_S	70_E	1.029	1.00
64_A	67_K	1.022	0.99
20_V	72_I	1.011	0.99
16_M	86_Y	1.001	0.99
40_L	68_L	1.000	0.99
40_L	67_K	0.954	0.99
58_A	65_L	0.953	0.99
36_H	40_L	0.947	0.99
40_L	71_R	0.946	0.99
42_I	60_G	0.943	0.99
57_V	89_S	0.935	0.99
16_M	65_L	0.933	0.99
28_G	32_F	0.925	0.99
33_V	58_A	0.912	0.99
69_L	73_K	0.886	0.99
16_M	69_L	0.886	0.99
73_K	84_V	0.873	0.98
57_V	95_F	0.871	0.98
28_G	78_A	0.855	0.98
20_V	84_V	0.847	0.98
20_V	56_V	0.847	0.98
59_E	92_K	0.837	0.98
62_E	88_F	0.833	0.98
45_Y	57_V	0.823	0.98
45_Y	55_E	0.817	0.98
91_Y	95_F	0.806	0.97
29_F	72_I	0.798	0.97
95_F	99_E	0.787	0.97
70_E	73_K	0.786	0.97
45_Y	56_V	0.779	0.97
28_G	77_P	0.778	0.97
56_V	68_L	0.771	0.96
19_R	49_L	0.771	0.96
19_R	55_E	0.766	0.96
43_K	95_F	0.760	0.96
33_V	71_R	0.755	0.96
92_K	95_F	0.741	0.96
67_K	70_E	0.738	0.95
42_I	58_A	0.735	0.95
59_E	91_Y	0.735	0.95
17_Y	87_S	0.715	0.95
32_F	36_H	0.715	0.95
15_R	89_S	0.713	0.95
40_L	64_A	0.710	0.94
23_L	80_E	0.706	0.94
19_R	85_D	0.695	0.94
60_G	64_A	0.692	0.94
16_M	58_A	0.679	0.93
59_E	95_F	0.674	0.93
33_V	46_A	0.665	0.92
35_I	38_I	0.665	0.92
28_G	35_I	0.662	0.92
67_K	71_R	0.654	0.92
41_G	64_A	0.654	0.92
32_F	79_A	0.638	0.91
18_A	84_V	0.638	0.91
34_Q	46_A	0.635	0.90
43_K	59_E	0.632	0.90
23_L	28_G	0.616	0.89
17_Y	46_A	0.616	0.89
96_E	99_E	0.611	0.89
61_Y	96_E	0.605	0.88
74_Q	79_A	0.595	0.87
45_Y	49_L	0.593	0.87
73_K	86_Y	0.584	0.86
14_K	66_S	0.581	0.86
24_V	54_V	0.581	0.86
64_A	68_L	0.575	0.86
17_Y	57_V	0.568	0.85
28_G	72_I	0.564	0.84
57_V	92_K	0.559	0.84
62_E	96_E	0.555	0.83
38_I	97_D	0.554	0.83
71_R	74_Q	0.546	0.83
45_Y	75_G	0.542	0.82
65_L	69_L	0.537	0.81
42_I	61_Y	0.533	0.81
33_V	56_V	0.530	0.81
29_F	33_V	0.528	0.80
19_R	51_D	0.528	0.80
29_F	40_L	0.525	0.80
32_F	76_P	0.524	0.80
38_I	90_E	0.514	0.79
70_E	74_Q	0.508	0.78
20_V	76_P	0.507	0.78
39_R	63_E	0.500	0.77

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
2bjdA	1	0.8911	100	0.193	Contact Map
3trgA	1	0.9208	100	0.259	Contact Map
2fhmA	1	0.8812	100	0.259	Contact Map
4hi1A	3	0.8713	100	0.259	Contact Map
2lxfA	1	0.9802	100	0.262	Contact Map
4g9iA	1	0.8713	100	0.263	Contact Map
2gv1A	1	0.901	100	0.265	Contact Map
1ulrA	1	0.8614	100	0.267	Contact Map
1w2iA	2	0.8812	100	0.27	Contact Map
1urrA	1	0.9208	100	0.278	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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