FUR - BACSU - GREMLIN Contacts

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FUR - Ferric uptake regulation protein

UniProt:	P54574	Sequences: MENRIDRIKKQLHSSSYKLTPQREATVRVLLENEEDHLSAEDVYLLVKEKSPEIGLATVYRTLELLTELKVVDKINFGDGVSRYDLRKEGAAHFHHHLVCMECGAVDEIEEDLLEDVEEIIERDWKFKIKDHRLTFHGICHRCNGKETE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	149 (132)
Sequences:	7181 (4720)
Seq/√Len:	410.8

ECOLI - ZUR FUR
BACSU - FUR PERR ZUR
SULSO - Q97WH5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
101_M	130_K	4.262	1.00
102_E	139_I	3.883	1.00
128_K	144_N	3.320	1.00
105_A	142_R	3.227	1.00
30_L	72_V	2.834	1.00
29_V	46_L	2.422	1.00
129_I	136_F	2.376	1.00
19_L	24_E	2.275	1.00
126_K	141_H	2.255	1.00
67_T	74_K	2.133	1.00
101_M	137_H	2.112	1.00
9_K	24_E	2.042	1.00
101_M	139_I	1.975	1.00
40_A	63_L	1.864	1.00
74_K	82_S	1.846	1.00
67_T	72_V	1.840	1.00
45_L	48_K	1.815	1.00
44_Y	56_L	1.778	1.00
17_Y	69_L	1.716	1.00
10_K	14_S	1.688	1.00
130_K	139_I	1.685	1.00
34_E	46_L	1.675	1.00
64_E	74_K	1.661	1.00
26_T	62_T	1.654	1.00
103_C	140_C	1.624	1.00
120_I	124_D	1.536	1.00
37_H	85_D	1.522	1.00
96_H	132_H	1.522	1.00
98_L	107_D	1.503	1.00
29_V	43_V	1.493	1.00
28_R	32_E	1.416	1.00
44_Y	48_K	1.397	1.00
107_D	127_F	1.389	1.00
11_Q	15_S	1.377	1.00
98_L	127_F	1.377	1.00
100_C	103_C	1.368	1.00
37_H	97_H	1.356	1.00
94_F	132_H	1.356	1.00
39_S	42_D	1.355	1.00
25_A	50_K	1.315	1.00
27_V	66_L	1.302	1.00
24_E	28_R	1.297	1.00
46_L	49_E	1.297	1.00
103_C	143_C	1.275	1.00
25_A	28_R	1.267	1.00
127_F	141_H	1.253	1.00
87_R	93_H	1.240	1.00
29_V	47_V	1.202	1.00
22_Q	58_T	1.186	1.00
44_Y	59_V	1.177	1.00
100_C	140_C	1.114	1.00
11_Q	14_S	1.111	1.00
62_T	65_L	1.101	1.00
116_D	120_I	1.085	1.00
38_L	46_L	1.070	1.00
140_C	143_C	1.061	1.00
99_V	104_G	1.055	1.00
99_V	137_H	1.046	1.00
34_E	38_L	1.045	1.00
65_L	69_L	1.035	1.00
119_E	123_R	1.032	1.00
107_D	125_W	1.027	1.00
29_V	38_L	1.024	1.00
128_K	139_I	1.017	1.00
98_L	138_G	0.988	1.00
9_K	13_H	0.984	1.00
37_H	95_H	0.978	1.00
66_L	71_V	0.977	1.00
38_L	83_R	0.972	1.00
22_Q	54_I	0.972	1.00
139_I	144_N	0.968	1.00
23_R	65_L	0.962	1.00
99_V	135_T	0.937	1.00
36_D	46_L	0.936	1.00
141_H	145_G	0.932	1.00
21_P	25_A	0.931	1.00
30_L	38_L	0.927	1.00
111_E	114_L	0.927	1.00
37_H	108_E	0.926	1.00
17_Y	65_L	0.925	1.00
131_D	137_H	0.922	1.00
95_H	108_E	0.917	1.00
127_F	138_G	0.911	1.00
29_V	50_K	0.890	1.00
47_V	54_I	0.889	1.00
126_K	144_N	0.881	1.00
38_L	43_V	0.865	1.00
118_E	132_H	0.860	1.00
101_M	131_D	0.857	1.00
36_D	42_D	0.852	1.00
41_E	45_L	0.845	1.00
47_V	51_S	0.842	1.00
96_H	109_I	0.838	1.00
111_E	117_V	0.837	1.00
40_A	59_V	0.837	1.00
71_V	86_L	0.836	1.00
25_A	51_S	0.824	1.00
113_L	116_D	0.823	1.00
23_R	62_T	0.820	1.00
64_E	67_T	0.820	1.00
21_P	24_E	0.812	1.00
45_L	49_E	0.811	1.00
48_K	56_L	0.801	1.00
13_H	19_L	0.794	1.00
27_V	71_V	0.790	1.00
132_H	136_F	0.788	1.00
28_R	50_K	0.788	1.00
79_D	83_R	0.780	1.00
75_I	108_E	0.779	1.00
37_H	106_V	0.774	1.00
96_H	112_D	0.760	1.00
120_I	123_R	0.757	1.00
100_C	143_C	0.745	1.00
110_E	113_L	0.744	1.00
104_G	107_D	0.740	1.00
42_D	45_L	0.738	1.00
32_E	46_L	0.725	1.00
41_E	81_V	0.724	1.00
41_E	56_L	0.716	1.00
63_L	67_T	0.716	1.00
26_T	43_V	0.714	1.00
112_D	132_H	0.709	1.00
98_L	125_W	0.707	1.00
22_Q	55_G	0.702	1.00
114_L	117_V	0.691	1.00
133_R	137_H	0.686	1.00
64_E	68_E	0.682	1.00
75_I	135_T	0.678	1.00
96_H	134_L	0.674	0.99
114_L	118_E	0.672	0.99
119_E	122_E	0.668	0.99
96_H	118_E	0.665	0.99
31_L	86_L	0.665	0.99
27_V	31_L	0.665	0.99
97_H	108_E	0.661	0.99
29_V	34_E	0.652	0.99
73_D	87_R	0.645	0.99
10_K	13_H	0.644	0.99
58_T	62_T	0.640	0.99
12_L	27_V	0.635	0.99
41_E	44_Y	0.633	0.99
122_E	144_N	0.628	0.99
40_A	56_L	0.625	0.99
29_V	32_E	0.624	0.99
132_H	137_H	0.623	0.99
26_T	29_V	0.621	0.99
35_E	87_R	0.619	0.99
22_Q	62_T	0.617	0.99
9_K	19_L	0.605	0.99
32_E	50_K	0.604	0.99
37_H	55_G	0.603	0.99
63_L	72_V	0.600	0.99
142_R	145_G	0.600	0.99
43_V	72_V	0.596	0.99
43_V	59_V	0.584	0.99
81_V	84_Y	0.581	0.99
40_A	81_V	0.580	0.98
94_F	115_E	0.577	0.98
39_S	83_R	0.577	0.98
44_Y	54_I	0.572	0.98
77_F	133_R	0.570	0.98
111_E	124_D	0.569	0.98
30_L	43_V	0.567	0.98
25_A	47_V	0.566	0.98
20_T	58_T	0.563	0.98
99_V	106_V	0.561	0.98
96_H	136_F	0.558	0.98
94_F	112_D	0.557	0.98
39_S	81_V	0.556	0.98
73_D	133_R	0.552	0.98
122_E	129_I	0.551	0.98
66_L	72_V	0.549	0.98
11_Q	31_L	0.547	0.98
111_E	116_D	0.544	0.98
19_L	27_V	0.539	0.98
116_D	119_E	0.535	0.97
111_E	120_I	0.531	0.97
25_A	54_I	0.528	0.97
12_L	19_L	0.527	0.97
15_S	69_L	0.526	0.97
30_L	39_S	0.526	0.97
130_K	138_G	0.524	0.97
77_F	82_S	0.523	0.97
20_T	24_E	0.522	0.97
37_H	41_E	0.519	0.97
12_L	17_Y	0.517	0.97
100_C	127_F	0.515	0.97
62_T	84_Y	0.515	0.97
85_D	88_K	0.515	0.97
141_H	144_N	0.514	0.97
85_D	94_F	0.512	0.97
25_A	29_V	0.510	0.97
40_A	67_T	0.508	0.97
107_D	142_R	0.504	0.96
17_Y	23_R	0.503	0.96
42_D	46_L	0.501	0.96
76_N	80_G	0.500	0.96
30_L	86_L	0.500	0.96

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
2fe3A	2	0.953	100	0.118	Contact Map
2xigA	4	0.9664	100	0.125	Contact Map
4mtdA	2	0.9866	100	0.133	Contact Map
3eyyA	2	0.8926	100	0.15	Contact Map
4etsA	2	0.9732	100	0.157	Contact Map
3mwmA	2	0.8523	100	0.159	Contact Map
2w57A	2	0.8725	100	0.176	Contact Map
2o03A	2	0.8658	100	0.192	Contact Map
4lmyA	2	0.9664	100	0.196	Contact Map
1mzbA	4	0.8859	100	0.209	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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