HIS3 - HALSA - GREMLIN Contacts

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HIS3 - Phosphoribosyl-AMP cyclohydrolase

UniProt:	Q9HN23	Sequences: MEEFDVDLDFGGAGHTDDGDGLVAVIAQDADSRDVLMLAYATREAVARTATTGRAHYYSRSRDELWEKGATSGNTQSVDEIRVDCDGDALLYLVAQTGGACHTGHESCFHRTLDGDTVGDQVFDPDDAY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	129 (104)
Sequences:	3221 (1828)
Seq/√Len:	179.2

ECOLI - HIS2
BACSU - HIS2
HALSA - HIS3
SULSO - HIS3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
49_T	78_V	2.571	1.00
54_R	67_E	2.475	1.00
56_H	67_E	2.266	1.00
34_D	106_E	2.149	1.00
79_D	95_A	2.121	1.00
55_A	92_Y	2.004	1.00
48_R	51_T	1.984	1.00
41_A	92_Y	1.975	1.00
77_S	97_T	1.927	1.00
77_S	95_A	1.917	1.00
38_L	89_A	1.861	1.00
105_H	110_H	1.852	1.00
64_E	70_A	1.846	1.00
26_I	38_L	1.812	1.00
43_R	47_A	1.807	1.00
25_V	41_A	1.798	1.00
33_R	93_L	1.777	1.00
80_E	112_T	1.774	1.00
80_E	93_L	1.754	1.00
54_R	77_S	1.742	1.00
27_A	57_Y	1.740	1.00
47_A	51_T	1.712	1.00
58_Y	63_D	1.646	1.00
52_T	56_H	1.606	1.00
48_R	56_H	1.589	1.00
67_E	70_A	1.564	1.00
31_D	95_A	1.530	1.00
75_T	97_T	1.530	1.00
55_A	78_V	1.515	1.00
64_E	71_T	1.509	1.00
24_A	38_L	1.492	1.00
81_I	92_Y	1.491	1.00
57_Y	76_Q	1.483	1.00
15_H	23_V	1.449	1.00
30_A	79_D	1.446	1.00
96_Q	99_G	1.413	1.00
25_V	92_Y	1.383	1.00
54_R	75_T	1.341	1.00
29_D	106_E	1.280	1.00
82_R	93_L	1.268	1.00
103_T	110_H	1.243	1.00
48_R	65_L	1.233	1.00
42_T	45_A	1.200	1.00
39_A	100_A	1.184	1.00
42_T	65_L	1.184	1.00
13_A	43_R	1.179	1.00
15_H	18_D	1.170	1.00
48_R	52_T	1.139	1.00
57_Y	96_Q	1.117	1.00
24_A	40_Y	1.115	1.00
87_G	111_R	1.083	1.00
67_E	75_T	1.067	1.00
48_R	67_E	1.064	1.00
30_A	93_L	1.056	1.00
24_A	89_A	1.055	1.00
74_N	99_G	1.054	1.00
52_T	67_E	1.016	0.99
28_Q	91_L	1.004	0.99
29_D	95_A	1.000	0.99
76_Q	94_V	0.986	0.99
25_V	45_A	0.970	0.99
27_A	94_V	0.951	0.99
30_A	95_A	0.943	0.99
16_T	19_G	0.927	0.99
74_N	96_Q	0.920	0.99
96_Q	100_A	0.920	0.99
17_D	43_R	0.909	0.99
58_Y	65_L	0.902	0.99
44_E	47_A	0.902	0.99
44_E	48_R	0.901	0.99
76_Q	96_Q	0.886	0.98
42_T	58_Y	0.878	0.98
84_D	88_D	0.876	0.98
27_A	55_A	0.869	0.98
82_R	112_T	0.850	0.98
50_A	81_I	0.826	0.98
32_S	106_E	0.825	0.98
35_V	91_L	0.820	0.97
83_V	111_R	0.817	0.97
45_A	65_L	0.814	0.97
16_T	21_G	0.813	0.97
37_M	89_A	0.806	0.97
54_R	70_A	0.805	0.97
29_D	96_Q	0.800	0.97
26_I	35_V	0.770	0.96
105_H	111_R	0.769	0.96
78_V	92_Y	0.765	0.96
18_D	21_G	0.753	0.96
46_V	90_L	0.745	0.96
53_G	77_S	0.744	0.96
15_H	46_V	0.719	0.95
99_G	105_H	0.708	0.94
55_A	76_Q	0.705	0.94
82_R	91_L	0.704	0.94
89_A	109_F	0.700	0.94
76_Q	100_A	0.695	0.94
28_Q	93_L	0.690	0.93
46_V	81_I	0.687	0.93
18_D	40_Y	0.686	0.93
29_D	34_D	0.684	0.93
34_D	93_L	0.668	0.92
17_D	46_V	0.667	0.92
19_G	61_S	0.657	0.92
36_L	94_V	0.646	0.91
58_Y	64_E	0.633	0.90
59_S	66_W	0.632	0.90
26_I	91_L	0.631	0.90
15_H	87_G	0.620	0.89
78_V	109_F	0.617	0.89
74_N	104_G	0.614	0.89
78_V	81_I	0.608	0.88
15_H	83_V	0.605	0.88
39_A	85_C	0.602	0.88
99_G	106_E	0.601	0.88
28_Q	35_V	0.598	0.87
56_H	65_L	0.592	0.87
14_G	18_D	0.591	0.87
41_A	45_A	0.588	0.86
83_V	87_G	0.587	0.86
37_M	66_W	0.587	0.86
55_A	94_V	0.585	0.86
39_A	55_A	0.584	0.86
110_H	113_L	0.582	0.86
62_R	66_W	0.581	0.86
16_T	20_D	0.577	0.85
14_G	111_R	0.577	0.85
27_A	39_A	0.576	0.85
112_T	115_G	0.575	0.85
37_M	91_L	0.573	0.85
57_Y	94_V	0.570	0.85
22_L	60_R	0.568	0.85
112_T	116_D	0.565	0.84
83_V	110_H	0.561	0.84
37_M	86_D	0.558	0.84
74_N	98_G	0.557	0.83
82_R	111_R	0.554	0.83
27_A	92_Y	0.554	0.83
29_D	32_S	0.551	0.83
21_G	60_R	0.549	0.83
17_D	23_V	0.548	0.82
34_D	82_R	0.542	0.82
17_D	20_D	0.541	0.82
45_A	56_H	0.533	0.81
88_D	109_F	0.531	0.80
81_I	113_L	0.529	0.80
41_A	49_T	0.521	0.79
14_G	17_D	0.519	0.79
27_A	76_Q	0.517	0.79
27_A	33_R	0.515	0.78
103_T	111_R	0.514	0.78
56_H	70_A	0.513	0.78
15_H	19_G	0.512	0.78
25_V	33_R	0.509	0.78
41_A	91_L	0.508	0.77
49_T	55_A	0.507	0.77
44_E	65_L	0.500	0.76

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
1zpsA	2	0.9535	100	0.086	Contact Map
1im3D	1	0.2946	15.2	0.949	Contact Map
2k8hA	1	0.6667	11.3	0.952	Contact Map
2j07A	2	0.8992	10	0.953	Contact Map
1yiiA	1	0.6512	8.6	0.954	Contact Map
1wywB	1	0.5814	8.4	0.955	Contact Map
3kydD	1	0.5039	8.1	0.955	Contact Map
2x4iA	2	0.3953	7.4	0.956	Contact Map
1v58A	2	0.3953	7.2	0.956	Contact Map
3ic4A	1	0.3643	7.1	0.956	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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