Q9HRV3 - HALSA - GREMLIN Contacts

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Q9HRV3 - Iron-dependent repressor

UniProt:	Q9HRV3	Sequences: MNTADQYLKTIFLVEQLTDGPAATGELADRLGVSPASVNEMVGKLEDRGLVTHEKYKGASVTEDGAARARDALQTYCILERFLANVLGVESFRDEARQLEPVIDETVAERLDMIIDRKSQCPDCFDAGADACGFLAEPSVEADD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	144 (117)
Sequences:	2675 (1772)
Seq/√Len:	163.8

ECOLI - MNTR
BACSU - MNTR MNTC
HALSA - Q9HRV3 Q9HRU8 Q9HME7 Q9HR69
SULSO - Q7LXP0 Q97WF3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
66_A	70_R	3.032	1.00
80_E	93_R	2.877	1.00
83_L	99_L	2.755	1.00
9_K	76_Y	2.643	1.00
95_E	104_D	2.602	1.00
4_A	48_R	2.372	1.00
74_Q	112_D	2.356	1.00
11_I	51_V	2.335	1.00
91_S	106_T	2.292	1.00
15_E	66_A	2.109	1.00
52_T	60_S	2.091	1.00
24_T	38_V	2.076	1.00
112_D	117_R	1.860	1.00
110_R	113_M	1.859	1.00
71_D	105_E	1.758	1.00
103_I	108_A	1.749	1.00
5_D	101_P	1.687	1.00
33_V	38_V	1.678	1.00
50_L	64_D	1.648	1.00
13_L	73_L	1.647	1.00
42_V	51_V	1.644	1.00
40_E	44_K	1.595	1.00
86_V	114_I	1.586	1.00
9_K	97_R	1.578	1.00
63_E	66_A	1.535	1.00
64_D	67_A	1.449	1.00
98_Q	102_V	1.444	1.00
42_V	59_A	1.443	1.00
82_F	87_L	1.433	1.00
79_L	103_I	1.429	1.00
97_R	101_P	1.426	1.00
37_S	41_M	1.399	1.00
10_T	30_R	1.398	1.00
17_L	30_R	1.390	1.00
53_H	56_Y	1.379	1.00
113_M	117_R	1.366	1.00
46_E	53_H	1.316	1.00
80_E	84_A	1.269	1.00
11_I	22_A	1.265	1.00
82_F	114_I	1.245	1.00
82_F	86_V	1.245	1.00
26_E	29_D	1.237	1.00
5_D	100_E	1.236	1.00
76_Y	93_R	1.222	1.00
95_E	107_V	1.154	1.00
15_E	22_A	1.149	1.00
84_A	92_F	1.133	1.00
79_L	111_L	1.127	1.00
12_F	73_L	1.126	1.00
7_Y	37_S	1.124	1.00
97_R	100_E	1.120	1.00
10_T	27_L	1.105	1.00
71_D	75_T	1.102	1.00
105_E	109_E	1.084	1.00
13_L	30_R	1.082	1.00
74_Q	78_I	1.066	0.99
39_N	53_H	1.043	0.99
35_P	41_M	1.039	0.99
8_L	12_F	1.026	0.99
27_L	42_V	1.019	0.99
6_Q	97_R	1.006	0.99
5_D	72_A	1.004	0.99
89_V	95_E	0.968	0.99
15_E	20_G	0.965	0.99
24_T	42_V	0.952	0.99
14_V	22_A	0.948	0.99
31_L	41_M	0.946	0.99
51_V	59_A	0.942	0.99
92_F	97_R	0.931	0.99
9_K	100_E	0.930	0.99
10_T	31_L	0.925	0.98
89_V	107_V	0.924	0.98
75_T	108_A	0.912	0.98
8_L	68_R	0.911	0.98
67_A	71_D	0.906	0.98
27_L	59_A	0.901	0.98
21_P	58_G	0.887	0.98
87_L	110_R	0.887	0.98
52_T	62_T	0.886	0.98
115_I	118_K	0.881	0.98
106_T	110_R	0.879	0.98
25_G	35_P	0.863	0.98
75_T	105_E	0.862	0.98
76_Y	100_E	0.861	0.98
91_S	95_E	0.853	0.97
6_Q	9_K	0.850	0.97
45_L	50_L	0.841	0.97
24_T	35_P	0.840	0.97
4_A	44_K	0.840	0.97
15_E	21_P	0.835	0.97
43_G	46_E	0.823	0.97
82_F	115_I	0.822	0.97
41_M	44_K	0.818	0.97
77_C	80_E	0.815	0.97
6_Q	102_V	0.800	0.96
79_L	107_V	0.793	0.96
16_Q	77_C	0.791	0.96
21_P	60_S	0.783	0.96
68_R	71_D	0.779	0.96
33_V	37_S	0.767	0.95
12_F	69_A	0.764	0.95
24_T	39_N	0.757	0.95
76_Y	97_R	0.743	0.94
103_I	107_V	0.742	0.94
76_Y	80_E	0.742	0.94
34_S	40_E	0.733	0.94
10_T	13_L	0.732	0.94
11_I	38_V	0.731	0.94
6_Q	101_P	0.726	0.94
49_G	64_D	0.724	0.93
6_Q	100_E	0.719	0.93
96_A	102_V	0.714	0.93
9_K	13_L	0.713	0.93
27_L	38_V	0.709	0.93
23_A	58_G	0.701	0.92
95_E	103_I	0.701	0.92
34_S	39_N	0.696	0.92
43_G	47_D	0.689	0.92
63_E	67_A	0.679	0.91
95_E	102_V	0.674	0.91
82_F	111_L	0.673	0.91
6_Q	40_E	0.669	0.90
12_F	70_R	0.667	0.90
4_A	43_G	0.665	0.90
9_K	81_R	0.661	0.90
7_Y	38_V	0.654	0.89
5_D	68_R	0.627	0.87
12_F	16_Q	0.625	0.87
18_T	26_E	0.620	0.87
24_T	53_H	0.617	0.87
95_E	98_Q	0.615	0.86
42_V	53_H	0.613	0.86
76_Y	101_P	0.612	0.86
88_G	110_R	0.609	0.86
40_E	43_G	0.609	0.86
95_E	106_T	0.608	0.86
23_A	26_E	0.602	0.85
6_Q	76_Y	0.602	0.85
64_D	68_R	0.599	0.85
23_A	98_Q	0.597	0.85
109_E	113_M	0.595	0.85
54_E	58_G	0.595	0.85
14_V	26_E	0.593	0.84
99_L	102_V	0.585	0.84
108_A	112_D	0.582	0.83
109_E	112_D	0.577	0.83
28_A	37_S	0.575	0.83
36_A	39_N	0.572	0.82
73_L	77_C	0.558	0.81
78_I	86_V	0.554	0.80
97_R	121_C	0.554	0.80
72_A	75_T	0.551	0.80
18_T	21_P	0.546	0.79
14_V	18_T	0.544	0.79
33_V	36_A	0.544	0.79
28_A	38_V	0.542	0.79
77_C	118_K	0.540	0.78
28_A	33_V	0.540	0.78
57_K	60_S	0.535	0.78
38_V	42_V	0.531	0.77
87_L	114_I	0.530	0.77
6_Q	10_T	0.529	0.77
73_L	80_E	0.529	0.77
75_T	104_D	0.528	0.77
91_S	107_V	0.527	0.77
95_E	110_R	0.525	0.76
16_Q	66_A	0.525	0.76
80_E	92_F	0.523	0.76
78_I	115_I	0.517	0.75
63_E	90_E	0.511	0.75
31_L	35_P	0.509	0.74
54_E	60_S	0.508	0.74
4_A	41_M	0.504	0.74
33_V	41_M	0.503	0.73
9_K	73_L	0.502	0.73
48_R	64_D	0.500	0.73

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
1fx7A	4	0.9931	100	0.424	Contact Map
2qq9A	2	0.9444	99.9	0.431	Contact Map
4o5vA	2	0.9861	99.9	0.433	Contact Map
3hrsA	2	0.9931	99.9	0.441	Contact Map
2x4hA	3	0.8819	99.8	0.578	Contact Map
1on2A	2	0.9167	99.7	0.607	Contact Map
2h09A	2	0.7986	99.6	0.646	Contact Map
2p8tA	1	0.8889	99.6	0.648	Contact Map
2fxaA	4	0.8611	98.9	0.747	Contact Map
2o0mA	1	0.4653	98.7	0.762	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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