GCH31 - HALSA - GREMLIN Contacts

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GCH31 - GTP cyclohydrolase III 1

UniProt:	Q9HQT7	Sequences: MTNTQVTLVQLDNYGPWTVTPSPRREVDLQTLQSRLYADLSQAIGTRDGYVFFTRFDNMIAVTNGLDLEAHARVQESIRNRYPITASLSIGTGSTPADALVGATGALQQQGSAQDADRRETLLGQPIPDAERTDDDVQIAHFDVIDATGTYTDELDAFASFTHIEAGYAALMRHMHDAHDSLSFFVGGDNIIAVCPGLSDGDYEDAIAHVQDTADVALRVGVGRGASAHDAGMGAKHALEVAREHDTIVERSGRQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	255 (236)
Sequences:	111 (72)
Seq/√Len:	4.7

HALSA - GCH31 GCH32
SULSO - GCH3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
145_I	219_R	7.948	1.00
43_A	74_V	4.019	0.88
43_A	89_S	3.225	0.73
151_Y	164_I	3.112	0.71
53_F	56_F	2.880	0.64
86_A	145_I	2.773	0.61
7_T	63_T	2.677	0.58
156_D	159_A	2.665	0.58
91_G	123_L	2.389	0.49
117_D	201_G	2.272	0.46
74_V	89_S	2.187	0.43
135_D	201_G	2.002	0.37
142_F	220_V	1.916	0.35
166_A	173_R	1.903	0.35
242_A	246_D	1.886	0.34
94_S	212_D	1.848	0.33
142_F	232_G	1.829	0.32
93_G	102_G	1.825	0.32
180_D	219_R	1.794	0.31
43_A	121_T	1.744	0.30
9_V	86_A	1.724	0.30
36_L	137_V	1.719	0.29
156_D	176_H	1.718	0.29
225_G	230_D	1.712	0.29
27_V	89_S	1.711	0.29
51_V	71_H	1.706	0.29
16_P	185_F	1.677	0.28
59_M	238_A	1.677	0.28
27_V	43_A	1.671	0.28
15_G	185_F	1.671	0.28
27_V	74_V	1.663	0.28
10_Q	87_S	1.650	0.28
146_D	215_D	1.631	0.27
37_Y	41_S	1.628	0.27
117_D	131_E	1.613	0.27
95_T	181_S	1.613	0.27
37_Y	157_A	1.608	0.27
16_P	29_L	1.598	0.26
95_T	224_R	1.592	0.26
15_G	29_L	1.585	0.26
9_V	109_Q	1.574	0.26
35_R	76_E	1.572	0.26
159_A	176_H	1.566	0.26
66_L	70_A	1.529	0.25
48_D	200_D	1.524	0.25
124_G	168_Y	1.508	0.24
29_L	185_F	1.503	0.24
41_S	121_T	1.482	0.24
42_Q	168_Y	1.467	0.23
63_T	71_H	1.445	0.23
66_L	93_G	1.440	0.23
50_Y	210_V	1.431	0.23
137_V	181_S	1.414	0.22
78_I	216_V	1.399	0.22
71_H	218_L	1.381	0.22
24_R	246_D	1.380	0.21
116_A	200_D	1.361	0.21
132_R	173_R	1.357	0.21
66_L	205_D	1.345	0.21
199_S	202_D	1.344	0.21
124_G	144_V	1.336	0.21
116_A	123_L	1.333	0.21
5_Q	64_N	1.323	0.20
92_T	125_Q	1.322	0.20
72_A	164_I	1.309	0.20
137_V	157_A	1.301	0.20
49_G	227_S	1.299	0.20
63_T	218_L	1.297	0.20
8_L	78_I	1.295	0.20
5_Q	184_F	1.292	0.20
24_R	229_H	1.283	0.20
180_D	199_S	1.279	0.19
166_A	207_I	1.266	0.19
76_E	151_Y	1.265	0.19
7_T	71_H	1.254	0.19
163_H	225_G	1.245	0.19
35_R	45_G	1.239	0.19
53_F	162_T	1.234	0.19
50_Y	192_I	1.232	0.19
19_V	29_L	1.227	0.18
41_S	154_E	1.224	0.18
156_D	183_S	1.211	0.18
146_D	149_G	1.206	0.18
61_A	184_F	1.204	0.18
27_V	181_S	1.203	0.18
9_V	174_H	1.202	0.18
50_Y	232_G	1.192	0.18
164_I	214_A	1.184	0.18
13_N	240_E	1.181	0.18
139_I	183_S	1.180	0.18
18_T	55_R	1.179	0.18
42_Q	182_L	1.178	0.18
91_G	131_E	1.176	0.17
98_D	215_D	1.165	0.17
122_L	125_Q	1.160	0.17
78_I	90_I	1.159	0.17
27_V	37_Y	1.153	0.17
165_E	169_A	1.137	0.17
40_L	61_A	1.136	0.17
175_M	183_S	1.134	0.17
35_R	216_V	1.129	0.17
13_N	77_S	1.124	0.17
69_E	107_L	1.119	0.16
121_T	145_I	1.106	0.16
105_G	117_D	1.095	0.16
182_L	207_I	1.094	0.16
9_V	244_E	1.086	0.16
119_R	154_E	1.082	0.16
170_A	181_S	1.078	0.16
39_D	153_D	1.078	0.16
126_P	134_D	1.077	0.16
86_A	200_D	1.065	0.16
91_G	200_D	1.061	0.16
117_D	200_D	1.059	0.15
56_F	180_D	1.052	0.15
6_V	109_Q	1.051	0.15
16_P	52_F	1.050	0.15
32_L	138_Q	1.045	0.15
27_V	41_S	1.044	0.15
23_P	61_A	1.043	0.15
44_I	192_I	1.039	0.15
53_F	203_Y	1.033	0.15
73_R	162_T	1.027	0.15
6_V	74_V	1.021	0.15
117_D	126_P	1.012	0.15
19_V	185_F	1.003	0.15
91_G	213_T	1.001	0.15
9_V	61_A	0.998	0.15
61_A	71_H	0.989	0.14
27_V	219_R	0.985	0.14
183_S	191_I	0.977	0.14
70_A	98_D	0.976	0.14
150_T	157_A	0.974	0.14
66_L	226_A	0.972	0.14
11_L	126_P	0.972	0.14
13_N	36_L	0.971	0.14
6_V	95_T	0.970	0.14
27_V	229_H	0.967	0.14
43_A	229_H	0.966	0.14
75_Q	218_L	0.966	0.14
104_T	175_M	0.965	0.14
16_P	19_V	0.964	0.14
181_S	219_R	0.961	0.14
5_Q	71_H	0.958	0.14
40_L	104_T	0.948	0.14
12_D	80_N	0.947	0.14
9_V	122_L	0.931	0.13
219_R	229_H	0.929	0.13
21_P	236_K	0.929	0.13
158_F	162_T	0.925	0.13
34_S	64_N	0.924	0.13
66_L	133_T	0.923	0.13
105_G	224_R	0.917	0.13
27_V	121_T	0.915	0.13
13_N	104_T	0.915	0.13
52_F	75_Q	0.912	0.13
15_G	19_V	0.910	0.13
40_L	78_I	0.907	0.13
5_Q	63_T	0.906	0.13
40_L	51_V	0.901	0.13
95_T	134_D	0.900	0.13
55_R	239_L	0.890	0.13
55_R	243_R	0.890	0.13
18_T	243_R	0.890	0.13
18_T	239_L	0.890	0.13
75_Q	185_F	0.889	0.13
164_I	169_A	0.889	0.13
69_E	234_G	0.882	0.13
8_L	86_A	0.880	0.13
124_G	169_A	0.880	0.13
76_E	216_V	0.877	0.13
239_L	243_R	0.877	0.13
20_T	77_S	0.870	0.13
213_T	228_A	0.867	0.13
174_H	178_A	0.867	0.13
234_G	242_A	0.866	0.13
5_Q	61_A	0.864	0.13
142_F	168_Y	0.858	0.12
135_D	164_I	0.854	0.12
241_V	244_E	0.853	0.12
20_T	197_G	0.852	0.12
167_G	194_V	0.852	0.12
24_R	45_G	0.850	0.12
7_T	61_A	0.839	0.12
144_V	206_A	0.833	0.12
126_P	200_D	0.830	0.12
102_G	125_Q	0.829	0.12
82_Y	240_E	0.828	0.12
160_S	166_A	0.827	0.12
162_T	172_M	0.824	0.12
25_R	174_H	0.820	0.12
202_D	225_G	0.819	0.12
44_I	61_A	0.819	0.12
109_Q	202_D	0.815	0.12
20_T	62_V	0.804	0.12
117_D	150_T	0.804	0.12
28_D	80_N	0.796	0.12
27_V	180_D	0.791	0.12
86_A	226_A	0.789	0.12
229_H	246_D	0.786	0.12
49_G	96_P	0.785	0.11
44_I	160_S	0.780	0.11
150_T	168_Y	0.777	0.11
11_L	138_Q	0.777	0.11
6_V	205_D	0.776	0.11
7_T	184_F	0.776	0.11
163_H	197_G	0.768	0.11
74_V	121_T	0.768	0.11
219_R	242_A	0.762	0.11
34_S	145_I	0.753	0.11
45_G	140_A	0.751	0.11
109_Q	205_D	0.747	0.11
48_D	211_Q	0.746	0.11
117_D	154_E	0.744	0.11
15_G	75_Q	0.743	0.11
64_N	184_F	0.741	0.11
69_E	79_R	0.737	0.11
90_I	126_P	0.736	0.11
91_G	116_A	0.734	0.11
117_D	228_A	0.726	0.11
9_V	158_F	0.725	0.11
34_S	60_I	0.724	0.11
216_V	237_H	0.721	0.11
68_L	94_S	0.715	0.11
220_V	236_K	0.713	0.11
162_T	165_E	0.712	0.11
74_V	181_S	0.709	0.11
58_N	171_L	0.709	0.11
90_I	93_G	0.708	0.11
159_A	162_T	0.702	0.10
144_V	220_V	0.700	0.10
58_N	240_E	0.698	0.10
212_D	226_A	0.698	0.10
110_Q	242_A	0.697	0.10
98_D	106_A	0.695	0.10
34_S	37_Y	0.694	0.10
31_T	162_T	0.688	0.10
124_G	155_L	0.688	0.10
31_T	175_M	0.685	0.10
75_Q	240_E	0.682	0.10
126_P	199_S	0.681	0.10
100_L	242_A	0.681	0.10
51_V	218_L	0.676	0.10
32_L	194_V	0.676	0.10
78_I	95_T	0.674	0.10
44_I	208_A	0.674	0.10
77_S	138_Q	0.674	0.10
16_P	32_L	0.674	0.10
138_Q	182_L	0.673	0.10
16_P	82_Y	0.669	0.10
236_K	240_E	0.669	0.10
78_I	175_M	0.669	0.10
191_I	225_G	0.668	0.10
181_S	195_C	0.666	0.10
232_G	242_A	0.665	0.10
105_G	212_D	0.665	0.10
15_G	96_P	0.664	0.10
49_G	148_T	0.664	0.10
186_V	236_K	0.663	0.10
69_E	216_V	0.663	0.10
125_Q	131_E	0.660	0.10
73_R	173_R	0.660	0.10
12_D	58_N	0.658	0.10
135_D	154_E	0.658	0.10
195_C	229_H	0.652	0.10
58_N	140_A	0.651	0.10
86_A	215_D	0.651	0.10
68_L	226_A	0.647	0.10
60_I	247_T	0.640	0.10
142_F	192_I	0.635	0.10
32_L	185_F	0.635	0.10
56_F	138_Q	0.631	0.10
105_G	217_A	0.629	0.10
54_T	60_I	0.626	0.10
89_S	164_I	0.623	0.10
15_G	87_S	0.621	0.10
154_E	202_D	0.620	0.10
41_S	74_V	0.620	0.10
98_D	244_E	0.616	0.10
107_L	226_A	0.614	0.09
54_T	200_D	0.610	0.09
22_S	229_H	0.606	0.09
15_G	52_F	0.604	0.09
66_L	203_Y	0.601	0.09
132_R	169_A	0.600	0.09
72_A	133_T	0.599	0.09
59_M	78_I	0.598	0.09
13_N	71_H	0.598	0.09
153_D	171_L	0.597	0.09
44_I	224_R	0.597	0.09
208_A	227_S	0.595	0.09
108_Q	157_A	0.594	0.09
68_L	170_A	0.593	0.09
88_L	160_S	0.591	0.09
114_Q	120_E	0.591	0.09
45_G	65_G	0.590	0.09
34_S	77_S	0.589	0.09
37_Y	74_V	0.585	0.09
50_Y	236_K	0.573	0.09
25_R	48_D	0.573	0.09
170_A	199_S	0.573	0.09
39_D	82_Y	0.568	0.09
60_I	146_D	0.567	0.09
25_R	164_I	0.566	0.09
6_V	91_G	0.565	0.09
46_T	135_D	0.562	0.09
168_Y	183_S	0.559	0.09
95_T	226_A	0.557	0.09
206_A	216_V	0.556	0.09
199_S	224_R	0.554	0.09
99_A	223_G	0.554	0.09
94_S	199_S	0.551	0.09
37_Y	89_S	0.543	0.09
69_E	205_D	0.542	0.09
78_I	109_Q	0.542	0.09
21_P	85_T	0.540	0.09
154_E	164_I	0.540	0.09
97_A	193_A	0.539	0.09
115_D	119_R	0.536	0.09
11_L	156_D	0.536	0.09
21_P	240_E	0.536	0.09
140_A	220_V	0.533	0.09
93_G	105_G	0.533	0.09
4_T	197_G	0.532	0.09
31_T	158_F	0.531	0.09
16_P	75_Q	0.529	0.09
201_G	217_A	0.526	0.09
80_N	118_R	0.523	0.09
9_V	247_T	0.522	0.09
109_Q	212_D	0.522	0.09
121_T	125_Q	0.522	0.09
61_A	64_N	0.521	0.09
42_Q	124_G	0.521	0.09
170_A	213_T	0.519	0.09
68_L	202_D	0.517	0.08
124_G	214_A	0.517	0.08
98_D	178_A	0.516	0.08
53_F	172_M	0.516	0.08
208_A	225_G	0.515	0.08
11_L	218_L	0.514	0.08
11_L	32_L	0.512	0.08
101_V	226_A	0.510	0.08
5_Q	8_L	0.510	0.08
63_T	225_G	0.509	0.08
21_P	118_R	0.508	0.08
131_E	200_D	0.507	0.08
173_R	183_S	0.507	0.08
27_V	107_L	0.507	0.08
45_G	237_H	0.505	0.08
19_V	153_D	0.504	0.08
122_L	140_A	0.503	0.08
36_L	211_Q	0.503	0.08
164_I	205_D	0.503	0.08
206_A	246_D	0.500	0.08

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
2qv6A	4	0.9765	100	0.14	Contact Map
3i5cA	2	0.6863	97	0.931	Contact Map
3hvaA	1	0.5686	96.9	0.932	Contact Map
3tvkA	1	0.5765	96.7	0.934	Contact Map
3hvwA	1	0.5255	96.5	0.935	Contact Map
3qyyA	1	0.5608	96.5	0.935	Contact Map
4urgA	1	0.5529	95.9	0.939	Contact Map
3mtkA	2	0.5725	95.9	0.939	Contact Map
4iobA	1	0.5529	95.9	0.939	Contact Map
3ignA	1	0.5843	95.8	0.939	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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