Q9HSQ4 - HALSA - GREMLIN Contacts

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Q9HSQ4 - Dihydroneopterin aldolase

UniProt:	Q9HSQ4	Sequences: MATDAQQACFEAGIKFGALYHQFAGTPVSPASAPSLETAIEESIRNQPFCEGVAVDIKTERLDVEHGYTELTGEYMDVELRIDYEGTTVAAEMAMDDGYPLMRLAEIDP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	109 (105)
Sequences:	140 (105)
Seq/√Len:	10.3

HALSA - Q9HSQ4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
20_Y	70_E	2.816	0.91
51_E	88_T	2.552	0.86
15_K	50_C	2.546	0.86
16_F	50_C	2.452	0.83
45_R	52_G	2.093	0.72
92_E	105_A	2.048	0.70
20_Y	73_G	1.992	0.68
7_Q	103_R	1.977	0.67
46_N	66_H	1.881	0.63
24_A	73_G	1.876	0.63
5_A	105_A	1.873	0.63
37_E	59_T	1.862	0.62
33_A	59_T	1.775	0.59
55_V	78_V	1.758	0.58
17_G	43_S	1.743	0.57
12_A	15_K	1.739	0.57
99_Y	102_M	1.707	0.55
58_K	77_D	1.623	0.52
7_Q	105_A	1.620	0.51
35_S	39_A	1.614	0.51
15_K	20_Y	1.598	0.50
15_K	49_F	1.500	0.46
9_C	29_S	1.450	0.44
35_S	73_G	1.427	0.42
35_S	42_E	1.416	0.42
83_D	86_G	1.397	0.41
3_T	89_V	1.391	0.41
20_Y	46_N	1.387	0.41
91_A	104_L	1.334	0.38
4_D	38_T	1.326	0.38
22_Q	71_L	1.322	0.38
56_D	77_D	1.316	0.38
44_I	70_E	1.295	0.37
4_D	85_E	1.272	0.36
3_T	63_D	1.258	0.35
80_L	91_A	1.248	0.35
37_E	57_I	1.238	0.34
50_C	75_Y	1.235	0.34
12_A	49_F	1.210	0.33
13_G	82_I	1.210	0.33
49_F	94_A	1.183	0.32
41_E	91_A	1.183	0.32
23_F	45_R	1.167	0.31
90_A	106_E	1.151	0.31
12_A	20_Y	1.140	0.30
13_G	16_F	1.139	0.30
34_P	90_A	1.127	0.30
52_G	80_L	1.117	0.29
38_T	60_E	1.103	0.29
56_D	81_R	1.099	0.29
66_H	75_Y	1.093	0.28
88_T	98_G	1.092	0.28
31_A	83_D	1.077	0.28
97_D	107_I	1.069	0.28
6_Q	74_E	1.068	0.28
94_A	103_R	1.067	0.27
44_I	89_V	1.050	0.27
9_C	74_E	1.048	0.27
81_R	88_T	1.042	0.27
14_I	28_V	1.041	0.27
63_D	106_E	1.035	0.26
23_F	26_T	1.028	0.26
73_G	102_M	1.027	0.26
22_Q	55_V	1.017	0.26
28_V	83_D	1.010	0.25
28_V	71_L	1.000	0.25
18_A	53_V	0.987	0.25
92_E	96_D	0.981	0.24
65_E	98_G	0.974	0.24
41_E	80_L	0.940	0.23
46_N	50_C	0.939	0.23
23_F	69_T	0.937	0.23
19_L	23_F	0.935	0.23
16_F	49_F	0.931	0.23
73_G	100_P	0.899	0.22
32_S	45_R	0.895	0.22
65_E	96_D	0.892	0.21
38_T	90_A	0.890	0.21
17_G	84_Y	0.883	0.21
20_Y	79_E	0.879	0.21
95_M	103_R	0.873	0.21
24_A	93_M	0.861	0.21
80_L	90_A	0.850	0.20
82_I	85_E	0.841	0.20
58_K	66_H	0.833	0.20
18_A	37_E	0.828	0.20
19_L	66_H	0.821	0.19
5_A	83_D	0.820	0.19
20_Y	35_S	0.812	0.19
4_D	63_D	0.809	0.19
57_I	94_A	0.805	0.19
12_A	91_A	0.794	0.19
32_S	67_G	0.780	0.18
40_I	85_E	0.771	0.18
41_E	62_L	0.766	0.18
31_A	81_R	0.760	0.18
5_A	92_E	0.752	0.17
58_K	76_M	0.730	0.17
96_D	103_R	0.726	0.17
23_F	44_I	0.723	0.17
16_F	93_M	0.721	0.17
81_R	90_A	0.717	0.17
34_P	40_I	0.717	0.17
41_E	61_R	0.712	0.16
71_L	75_Y	0.711	0.16
85_E	88_T	0.708	0.16
15_K	102_M	0.700	0.16
79_E	83_D	0.693	0.16
86_G	107_I	0.671	0.15
32_S	50_C	0.668	0.15
70_E	103_R	0.658	0.15
6_Q	104_L	0.649	0.15
74_E	98_G	0.641	0.15
19_L	40_I	0.630	0.14
34_P	81_R	0.625	0.14
58_K	83_D	0.617	0.14
34_P	106_E	0.617	0.14
29_S	73_G	0.616	0.14
79_E	94_A	0.607	0.14
52_G	107_I	0.606	0.14
18_A	70_E	0.603	0.14
40_I	104_L	0.597	0.14
24_A	75_Y	0.596	0.14
6_Q	57_I	0.594	0.14
32_S	95_M	0.594	0.14
37_E	76_M	0.591	0.14
69_T	72_T	0.591	0.14
58_K	106_E	0.590	0.14
56_D	83_D	0.590	0.14
32_S	100_P	0.588	0.13
34_P	92_E	0.588	0.13
58_K	61_R	0.588	0.13
34_P	37_E	0.586	0.13
35_S	78_V	0.586	0.13
94_A	105_A	0.584	0.13
49_F	91_A	0.576	0.13
30_P	43_S	0.572	0.13
23_F	71_L	0.569	0.13
31_A	54_A	0.565	0.13
90_A	98_G	0.563	0.13
44_I	93_M	0.558	0.13
4_D	82_I	0.557	0.13
43_S	78_V	0.549	0.13
26_T	70_E	0.549	0.13
94_A	104_L	0.543	0.13
69_T	93_M	0.540	0.12
33_A	46_N	0.537	0.12
8_A	49_F	0.537	0.12
3_T	54_A	0.535	0.12
38_T	94_A	0.529	0.12
16_F	24_A	0.524	0.12
47_Q	99_Y	0.521	0.12
49_F	82_I	0.516	0.12
56_D	69_T	0.516	0.12
37_E	71_L	0.511	0.12
55_V	71_L	0.505	0.12
40_I	84_Y	0.504	0.12
36_L	64_V	0.500	0.12

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
2iecA	4	1	100	0.056	Contact Map
2i52A	5	0.9908	100	0.077	Contact Map
2ogfA	4	0.9633	100	0.086	Contact Map
4hrzA	2	0.7615	49.1	0.929	Contact Map
2c7pA	1	0.4404	31.1	0.936	Contact Map
2ia7A	1	0.8257	29.5	0.937	Contact Map
1ky9A	5	0.5413	19.1	0.942	Contact Map
2qrvA	2	0.422	19.1	0.942	Contact Map
4a8cA	5	0.5596	18.5	0.943	Contact Map
3qv2A	1	0.4128	15.5	0.945	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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