ARSR - BACSU - GREMLIN Contacts

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ARSR - Arsenical resistance operon repressor

UniProt:	P45949	Sequences: MDETKSELLRKYEQKFKALADQKRLEIMYELCQRGKTCVCDLTEIFEVTQSKLSYHLKILLDANLITKETKGTWSYYDLNDEEVNGLLSEELCCIFRKKGEGDCC	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	105 (88)
Sequences:	4772 (3201)
Seq/√Len:	341.2

ECOLI - YGAV ARSR
BACSU - ARSR ASER CZRA SDPR YBZH YCEK
HALSA - ARSR2
SULSO - Q97VE0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
36_K	69_E	4.027	1.00
68_K	75_S	3.164	1.00
67_T	78_D	2.937	1.00
67_T	80_N	2.448	1.00
70_T	75_S	2.355	1.00
18_A	63_A	1.972	1.00
61_L	68_K	1.882	1.00
58_K	62_D	1.842	1.00
10_R	22_Q	1.837	1.00
36_K	78_D	1.773	1.00
14_Q	62_D	1.756	1.00
48_V	53_L	1.721	1.00
48_V	52_K	1.706	1.00
13_E	22_Q	1.603	1.00
42_L	53_L	1.585	1.00
28_M	65_L	1.580	1.00
57_L	66_I	1.574	1.00
30_E	45_I	1.558	1.00
86_G	90_E	1.445	1.00
31_L	66_I	1.427	1.00
30_E	37_T	1.421	1.00
27_I	42_L	1.321	1.00
39_V	57_L	1.320	1.00
18_A	59_I	1.315	1.00
38_C	74_W	1.301	1.00
37_T	41_D	1.297	1.00
57_L	61_L	1.294	1.00
43_T	50_Q	1.294	1.00
52_K	55_Y	1.294	1.00
21_D	55_Y	1.280	1.00
89_S	93_C	1.262	1.00
49_T	52_K	1.261	1.00
16_F	87_L	1.260	1.00
59_I	63_A	1.202	1.00
28_M	79_L	1.193	1.00
36_K	76_Y	1.192	1.00
12_Y	91_E	1.171	1.00
8_L	96_F	1.166	1.00
23_K	53_L	1.107	1.00
46_F	53_L	1.094	1.00
38_C	41_D	1.088	1.00
36_K	71_K	1.074	1.00
40_C	74_W	1.047	1.00
60_L	66_I	1.017	1.00
23_K	48_V	1.004	1.00
43_T	53_L	1.002	1.00
15_K	87_L	0.998	1.00
8_L	11_K	0.993	1.00
61_L	75_S	0.985	1.00
70_T	73_T	0.981	1.00
55_Y	73_T	0.978	1.00
83_E	94_C	0.952	1.00
27_I	31_L	0.951	1.00
9_L	29_Y	0.948	1.00
32_C	89_S	0.935	1.00
16_F	19_L	0.928	1.00
82_E	85_N	0.917	1.00
16_F	20_A	0.911	1.00
85_N	89_S	0.910	1.00
55_Y	58_K	0.905	1.00
13_E	25_L	0.901	1.00
52_K	56_H	0.896	1.00
32_C	85_N	0.892	1.00
64_N	80_N	0.888	1.00
31_L	37_T	0.887	1.00
37_T	45_I	0.877	1.00
15_K	65_L	0.875	1.00
90_E	93_C	0.869	1.00
37_T	42_L	0.858	1.00
67_T	81_D	0.853	1.00
11_K	64_N	0.851	1.00
39_V	61_L	0.819	1.00
10_R	14_Q	0.801	1.00
58_K	61_L	0.801	1.00
12_Y	92_L	0.781	1.00
83_E	86_G	0.774	1.00
71_K	74_W	0.763	1.00
41_D	44_E	0.759	1.00
20_A	56_H	0.747	1.00
49_T	55_Y	0.734	0.99
59_I	62_D	0.730	0.99
17_K	20_A	0.718	0.99
18_A	60_L	0.711	0.99
23_K	26_E	0.708	0.99
86_G	89_S	0.701	0.99
13_E	20_A	0.692	0.99
28_M	88_L	0.686	0.99
71_K	76_Y	0.676	0.99
61_L	66_I	0.664	0.99
16_F	25_L	0.656	0.99
19_L	22_Q	0.654	0.99
90_E	94_C	0.652	0.99
80_N	83_E	0.643	0.99
86_G	93_C	0.639	0.99
26_E	29_Y	0.625	0.98
21_D	49_T	0.620	0.98
34_R	37_T	0.602	0.98
84_V	94_C	0.601	0.98
15_K	83_E	0.599	0.98
22_Q	26_E	0.597	0.98
81_D	84_V	0.597	0.98
9_L	12_Y	0.589	0.97
21_D	52_K	0.586	0.97
29_Y	32_C	0.585	0.97
83_E	87_L	0.581	0.97
39_V	52_K	0.579	0.97
19_L	28_M	0.571	0.97
92_L	95_I	0.564	0.97
30_E	42_L	0.562	0.97
11_K	86_G	0.561	0.97
30_E	46_F	0.561	0.97
55_Y	59_I	0.560	0.97
17_K	52_K	0.554	0.96
11_K	14_Q	0.551	0.96
52_K	73_T	0.546	0.96
21_D	73_T	0.546	0.96
46_F	51_S	0.545	0.96
11_K	22_Q	0.540	0.96
12_Y	16_F	0.535	0.96
43_T	49_T	0.534	0.96
39_V	50_Q	0.533	0.95
40_C	44_E	0.528	0.95
51_S	55_Y	0.528	0.95
81_D	94_C	0.528	0.95
49_T	56_H	0.522	0.95
10_R	89_S	0.515	0.95
35_G	81_D	0.515	0.95
42_L	45_I	0.512	0.94
93_C	96_F	0.510	0.94
81_D	85_N	0.504	0.94
23_K	70_T	0.501	0.94
19_L	87_L	0.500	0.94

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
1r1tA	2	0.9238	99.7	0.486	Contact Map
1u2wA	2	0.9429	99.7	0.508	Contact Map
2kkoA	2	0.9905	99.7	0.515	Contact Map
1r1uA	2	0.9333	99.7	0.516	Contact Map
2jscA	2	0.8952	99.7	0.518	Contact Map
2zkzA	2	0.8476	99.6	0.53	Contact Map
3pqkA	2	0.9524	99.6	0.532	Contact Map
4k2eA	2	0.8952	99.6	0.545	Contact Map
3f6vA	2	0.8762	99.6	0.55	Contact Map
2vxzA	1	0.8476	99.6	0.551	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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