Q9HQ39 - HALSA - GREMLIN Contacts

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Q9HQ39 - 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase

UniProt:	Q9HQ39	Sequences: MEYDDWQPVYDDVCAAFGYEQAADRRARDVLAAHAEPFDMARLDCTGQTVAIAGGAPTLADEREVAAAADRVFAASTAVDVLADAGIEVDLMVTDLDKNPETARRLTAQGTPVAVHAHGDNIAAIREHVPTYDTTHVLATTQAAPTGPVVDHGGFTDGDRAAFLADHCGAAALRFPGWAFDDHTVTEEKRRKLAWAARLLRWLETRRGEAFGVLDGRRAAIDAVT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	225 (208)
Sequences:	212 (160)
Seq/√Len:	11.1

HALSA - Q9HQ39
SULSO - Q97W35

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
30_V	122_I	6.045	1.00
115_V	132_Y	3.828	0.99
14_C	143_A	3.457	0.98
34_H	129_V	3.386	0.97
16_A	195_W	3.385	0.97
23_A	26_R	3.241	0.97
21_Q	25_R	3.111	0.96
82_L	87_I	2.888	0.93
35_A	139_A	2.697	0.91
76_S	98_K	2.657	0.90
163_F	199_L	2.646	0.90
92_M	103_A	2.637	0.90
14_C	21_Q	2.451	0.86
80_D	102_T	2.431	0.85
115_V	125_I	2.431	0.85
31_L	129_V	2.344	0.83
55_G	178_W	2.249	0.80
74_A	82_L	2.206	0.79
14_C	25_R	2.128	0.76
17_F	28_R	2.127	0.76
25_R	143_A	2.056	0.74
94_T	161_A	2.022	0.72
16_A	191_R	1.985	0.71
2_E	167_H	1.984	0.71
92_M	98_K	1.927	0.69
19_Y	23_A	1.926	0.69
197_A	201_R	1.887	0.67
94_T	145_P	1.863	0.66
96_L	115_V	1.781	0.62
77_T	98_K	1.757	0.61
73_F	91_L	1.710	0.59
18_G	169_G	1.684	0.58
77_T	106_L	1.671	0.57
49_T	172_A	1.667	0.57
103_A	128_H	1.664	0.57
58_T	178_W	1.634	0.55
162_A	200_L	1.616	0.54
163_F	202_W	1.599	0.54
10_Y	13_V	1.590	0.53
35_A	103_A	1.588	0.53
19_Y	188_E	1.588	0.53
16_A	180_F	1.571	0.52
162_A	207_R	1.552	0.51
83_A	109_Q	1.548	0.51
6_W	10_Y	1.539	0.51
166_D	207_R	1.538	0.51
57_P	199_L	1.518	0.50
25_R	144_A	1.508	0.49
106_L	111_T	1.491	0.48
93_V	164_L	1.476	0.48
168_C	194_A	1.441	0.46
52_I	194_A	1.411	0.45
45_C	73_F	1.391	0.44
76_S	175_F	1.365	0.42
87_I	122_I	1.362	0.42
2_E	5_D	1.361	0.42
182_D	185_V	1.336	0.41
13_V	180_F	1.335	0.41
103_A	132_Y	1.333	0.41
3_Y	7_Q	1.313	0.40
31_L	139_A	1.304	0.40
53_A	77_T	1.299	0.39
31_L	115_V	1.297	0.39
74_A	125_I	1.278	0.38
180_F	191_R	1.268	0.38
74_A	79_V	1.260	0.38
103_A	113_V	1.254	0.37
56_A	81_V	1.250	0.37
92_M	107_T	1.246	0.37
73_F	93_V	1.227	0.36
32_A	148_P	1.207	0.35
51_A	70_D	1.207	0.35
162_A	173_L	1.199	0.35
50_V	86_G	1.166	0.33
37_P	42_R	1.156	0.33
54_G	180_F	1.150	0.33
76_S	92_M	1.149	0.33
79_V	111_T	1.144	0.32
116_H	177_G	1.141	0.32
15_A	127_E	1.123	0.32
92_M	97_D	1.108	0.31
103_A	115_V	1.107	0.31
133_D	198_R	1.095	0.30
128_H	200_L	1.091	0.30
56_A	178_W	1.083	0.30
89_V	98_K	1.073	0.29
11_D	21_Q	1.068	0.29
92_M	101_E	1.062	0.29
19_Y	25_R	1.057	0.29
92_M	113_V	1.053	0.29
63_R	106_L	1.052	0.29
13_V	54_G	1.051	0.29
4_D	64_E	1.049	0.29
31_L	56_A	1.046	0.28
76_S	97_D	1.046	0.28
52_I	169_G	1.039	0.28
146_T	149_V	1.036	0.28
47_G	86_G	1.036	0.28
140_T	150_V	1.033	0.28
137_V	164_L	1.023	0.28
90_D	165_A	1.022	0.27
1_M	6_W	1.020	0.27
111_T	124_A	1.020	0.27
6_W	152_H	1.017	0.27
70_D	138_L	1.005	0.27
149_V	185_V	1.003	0.27
55_G	77_T	0.996	0.27
33_A	126_R	0.993	0.26
120_D	203_L	0.989	0.26
82_L	202_W	0.989	0.26
59_L	82_L	0.984	0.26
21_Q	143_A	0.975	0.26
52_I	83_A	0.963	0.25
79_V	106_L	0.961	0.25
81_V	181_D	0.958	0.25
3_Y	8_P	0.953	0.25
3_Y	21_Q	0.952	0.25
89_V	152_H	0.928	0.24
57_P	163_F	0.914	0.24
104_R	200_L	0.910	0.23
60_A	109_Q	0.902	0.23
50_V	170_A	0.901	0.23
34_H	72_V	0.900	0.23
90_D	129_V	0.893	0.23
30_V	81_V	0.888	0.23
73_F	89_V	0.886	0.23
132_Y	176_P	0.884	0.23
31_L	137_V	0.884	0.23
15_A	105_R	0.882	0.22
178_W	195_W	0.881	0.22
52_I	133_D	0.879	0.22
60_A	186_T	0.865	0.22
79_V	83_A	0.862	0.22
84_D	132_Y	0.845	0.21
68_A	87_I	0.836	0.21
28_R	114_A	0.833	0.21
116_H	132_Y	0.831	0.21
34_H	130_P	0.823	0.21
20_E	23_A	0.823	0.21
10_Y	196_A	0.823	0.21
53_A	72_V	0.818	0.20
35_A	38_F	0.818	0.20
117_A	154_G	0.817	0.20
108_A	174_R	0.806	0.20
7_Q	144_A	0.802	0.20
149_V	152_H	0.789	0.19
28_R	89_V	0.786	0.19
73_F	165_A	0.784	0.19
94_T	115_V	0.784	0.19
174_R	181_D	0.779	0.19
58_T	181_D	0.774	0.19
14_C	140_T	0.769	0.19
39_D	45_C	0.768	0.19
200_L	203_L	0.764	0.19
24_D	154_G	0.764	0.19
4_D	12_D	0.764	0.19
65_V	188_E	0.760	0.19
205_T	208_G	0.759	0.19
3_Y	25_R	0.759	0.19
2_E	144_A	0.752	0.18
83_A	132_Y	0.752	0.18
100_P	181_D	0.751	0.18
58_T	87_I	0.748	0.18
73_F	152_H	0.742	0.18
34_H	111_T	0.739	0.18
125_I	165_A	0.738	0.18
115_V	119_G	0.737	0.18
199_L	203_L	0.737	0.18
72_V	171_A	0.736	0.18
175_F	178_W	0.731	0.18
12_D	195_W	0.731	0.18
55_G	156_T	0.729	0.18
91_L	139_A	0.726	0.18
80_D	99_N	0.724	0.18
15_A	124_A	0.723	0.18
31_L	97_D	0.723	0.18
128_H	136_H	0.722	0.18
31_L	98_K	0.721	0.17
51_A	176_P	0.720	0.17
34_H	167_H	0.720	0.17
73_F	194_A	0.719	0.17
76_S	178_W	0.708	0.17
14_C	17_F	0.705	0.17
170_A	180_F	0.704	0.17
166_D	195_W	0.703	0.17
108_A	164_L	0.703	0.17
34_H	71_R	0.697	0.17
32_A	178_W	0.696	0.17
6_W	13_V	0.691	0.17
73_F	127_E	0.691	0.17
63_R	171_A	0.685	0.16
99_N	102_T	0.684	0.16
16_A	200_L	0.682	0.16
20_E	113_V	0.674	0.16
108_A	125_I	0.671	0.16
79_V	103_A	0.670	0.16
98_K	175_F	0.667	0.16
6_W	197_A	0.666	0.16
53_A	207_R	0.664	0.16
51_A	69_A	0.655	0.16
19_Y	131_T	0.655	0.16
129_V	139_A	0.654	0.16
6_W	89_V	0.648	0.16
8_P	27_A	0.645	0.15
125_I	190_R	0.644	0.15
28_R	88_E	0.634	0.15
104_R	131_T	0.632	0.15
59_L	86_G	0.624	0.15
27_A	145_P	0.622	0.15
50_V	165_A	0.616	0.15
151_D	154_G	0.614	0.15
115_V	199_L	0.612	0.15
75_A	117_A	0.611	0.15
51_A	207_R	0.610	0.15
173_L	178_W	0.608	0.15
45_C	168_C	0.605	0.14
18_G	29_D	0.602	0.14
113_V	173_L	0.595	0.14
52_I	124_A	0.595	0.14
5_D	30_V	0.595	0.14
74_A	86_G	0.592	0.14
86_G	165_A	0.589	0.14
104_R	128_H	0.587	0.14
37_P	111_T	0.587	0.14
114_A	139_A	0.585	0.14
31_L	74_A	0.584	0.14
113_V	143_A	0.583	0.14
16_A	19_Y	0.581	0.14
44_D	140_T	0.581	0.14
53_A	66_A	0.580	0.14
36_E	40_M	0.577	0.14
62_E	186_T	0.571	0.14
37_P	44_D	0.570	0.14
57_P	78_A	0.570	0.14
40_M	92_M	0.569	0.14
82_L	163_F	0.568	0.14
31_L	35_A	0.567	0.14
63_R	176_P	0.565	0.14
75_A	154_G	0.564	0.14
128_H	131_T	0.564	0.14
110_G	113_V	0.562	0.13
14_C	125_I	0.560	0.13
92_M	111_T	0.559	0.13
86_G	101_E	0.556	0.13
66_A	203_L	0.555	0.13
118_H	189_K	0.554	0.13
121_N	158_G	0.554	0.13
121_N	157_D	0.554	0.13
121_N	160_R	0.554	0.13
118_H	192_K	0.554	0.13
50_V	200_L	0.554	0.13
118_H	158_G	0.554	0.13
118_H	157_D	0.554	0.13
118_H	121_N	0.554	0.13
121_N	189_K	0.554	0.13
121_N	192_K	0.554	0.13
118_H	160_R	0.554	0.13
95_D	160_R	0.554	0.13
95_D	121_N	0.554	0.13
189_K	192_K	0.554	0.13
95_D	158_G	0.554	0.13
95_D	157_D	0.554	0.13
160_R	192_K	0.554	0.13
160_R	189_K	0.554	0.13
158_G	192_K	0.554	0.13
95_D	192_K	0.554	0.13
157_D	192_K	0.554	0.13
157_D	189_K	0.554	0.13
157_D	160_R	0.554	0.13
95_D	189_K	0.554	0.13
158_G	189_K	0.554	0.13
95_D	118_H	0.554	0.13
35_A	152_H	0.553	0.13
140_T	199_L	0.553	0.13
162_A	203_L	0.547	0.13
46_T	138_L	0.547	0.13
29_D	52_I	0.546	0.13
59_L	96_L	0.546	0.13
21_Q	141_T	0.544	0.13
123_A	126_R	0.541	0.13
145_P	149_V	0.540	0.13
92_M	137_V	0.537	0.13
56_A	115_V	0.535	0.13
114_A	138_L	0.532	0.13
203_L	207_R	0.531	0.13
162_A	178_W	0.531	0.13
57_P	96_L	0.529	0.13
64_E	127_E	0.528	0.13
47_G	50_V	0.528	0.13
174_R	202_W	0.527	0.13
52_I	107_T	0.526	0.13
46_T	146_T	0.525	0.13
19_Y	200_L	0.523	0.13
27_A	122_I	0.522	0.13
4_D	205_T	0.519	0.13
83_A	111_T	0.518	0.13
102_T	106_L	0.515	0.12
2_E	194_A	0.515	0.12
56_A	91_L	0.513	0.12
104_R	137_V	0.512	0.12
1_M	10_Y	0.510	0.12
100_P	106_L	0.510	0.12
94_T	162_A	0.510	0.12
73_F	164_L	0.507	0.12
20_E	139_A	0.507	0.12
102_T	129_V	0.506	0.12
75_A	151_D	0.506	0.12
84_D	143_A	0.505	0.12
20_E	109_Q	0.503	0.12
81_V	186_T	0.502	0.12
98_K	154_G	0.501	0.12
17_F	193_L	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
1ro7A	3	0.72	99.8	0.779	Contact Map
2p2vA	3	0.7733	99.8	0.782	Contact Map
2wqqA	1	0.6889	99.7	0.793	Contact Map
3l8mA	5	0.6267	99.6	0.822	Contact Map
3melA	2	0.6444	99.5	0.833	Contact Map
2omkA	2	0.7067	99.4	0.837	Contact Map
3cq9A	2	0.6489	99.4	0.838	Contact Map
3ihkA	3	0.6222	99.4	0.838	Contact Map
3lm8A	2	0.6444	99.3	0.843	Contact Map
3k94A	2	0.6444	99.2	0.851	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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