MPTA - HALSA - GREMLIN Contacts

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MPTA - GTP cyclohydrolase MptA

UniProt:	Q9HNX6	Sequences: MSQQLPDVQATEPDVSVGLSEVGVTGVEKLVEIAREDDRPIVLMAEFEVYVDLPRGRKGIDMSRNMRVIDETLEDAVREPIYRVEEMCGEVAERLLEKHDYTTTATVEMNAELMLREETPASDLPTQGTIDIIASATAQEDAPTREEIGARVVGMTVCPCSQQMMSETARRKLAELGVGEDAVREFLRDVPQAGHSQRGHATLTVEAGGDPDVNLMDLVSVARDSMSARIYNTAKRPDEDHMTYESHANAKFVEDCVRSMARGVVEEFDHLPEDAVVTMKQSNDESIHQHNAHAERVAEFGQLREEVGSGE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	311 (285)
Sequences:	575 (369)
Seq/√Len:	21.8

BACSU - GCH4
HALSA - MPTA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
95_L	98_K	5.347	1.00
203_L	222_A	4.871	1.00
70_D	116_R	4.446	1.00
48_E	108_E	4.348	1.00
52_D	103_T	4.222	1.00
179_G	182_A	4.201	1.00
169_A	190_V	4.087	1.00
157_V	194_G	3.963	1.00
205_V	218_L	3.918	1.00
47_F	109_M	3.620	1.00
94_R	97_E	3.328	1.00
111_A	132_I	3.064	1.00
199_G	283_N	2.851	0.99
117_E	223_R	2.833	0.99
145_R	206_E	2.714	0.99
168_T	244_Y	2.602	0.98
54_P	253_V	2.565	0.98
153_V	230_I	2.455	0.98
282_S	291_N	2.429	0.98
139_Q	143_P	2.375	0.97
180_E	184_R	2.347	0.97
151_R	200_H	2.343	0.97
60_I	65_N	2.293	0.97
25_T	291_N	2.257	0.96
225_S	263_G	2.242	0.96
49_V	91_V	2.227	0.96
92_A	95_L	2.144	0.95
108_E	135_S	2.082	0.94
267_E	273_E	2.012	0.93
87_M	107_V	1.990	0.92
152_V	222_A	1.962	0.92
132_I	215_L	1.957	0.92
222_A	260_M	1.948	0.92
174_A	184_R	1.934	0.91
57_R	61_D	1.923	0.91
27_V	70_D	1.903	0.91
202_T	282_S	1.892	0.90
20_S	297_V	1.838	0.89
264_V	279_M	1.813	0.88
157_V	193_A	1.764	0.87
251_K	259_S	1.740	0.86
124_L	291_N	1.730	0.86
256_C	283_N	1.707	0.85
241_H	244_Y	1.661	0.83
156_T	199_G	1.632	0.82
208_G	275_A	1.624	0.82
55_R	93_E	1.587	0.80
58_K	253_V	1.586	0.80
164_M	240_D	1.524	0.78
151_R	202_T	1.502	0.77
161_S	243_T	1.494	0.76
160_C	196_S	1.454	0.74
179_G	188_R	1.441	0.73
164_M	283_N	1.428	0.73
19_L	296_R	1.396	0.71
155_M	246_S	1.393	0.71
243_T	247_H	1.381	0.70
177_G	181_D	1.373	0.70
161_S	194_G	1.371	0.70
181_D	185_E	1.344	0.68
33_I	84_V	1.337	0.68
54_P	103_T	1.325	0.67
150_A	215_L	1.324	0.67
164_M	199_G	1.318	0.66
33_I	85_E	1.312	0.66
148_I	207_A	1.303	0.66
120_P	283_N	1.297	0.65
155_M	283_N	1.292	0.65
24_V	27_V	1.288	0.65
110_N	266_E	1.269	0.63
88_C	94_R	1.268	0.63
225_S	259_S	1.268	0.63
194_G	243_T	1.253	0.62
242_M	246_S	1.246	0.62
228_A	242_M	1.211	0.60
25_T	280_K	1.197	0.59
228_A	231_Y	1.190	0.58
229_R	245_E	1.188	0.58
94_R	98_K	1.187	0.58
242_M	283_N	1.185	0.58
31_V	181_D	1.184	0.58
230_I	276_V	1.180	0.58
166_S	223_R	1.173	0.57
283_N	287_I	1.171	0.57
174_A	177_G	1.160	0.56
174_A	182_A	1.156	0.56
120_P	242_M	1.148	0.56
107_V	140_E	1.144	0.55
162_Q	193_A	1.141	0.55
62_M	292_A	1.115	0.53
234_A	287_I	1.113	0.53
91_V	190_V	1.108	0.53
28_E	289_Q	1.106	0.53
234_A	242_M	1.101	0.52
33_I	278_T	1.099	0.52
194_G	240_D	1.094	0.52
235_K	252_F	1.089	0.52
83_R	260_M	1.088	0.52
240_D	243_T	1.083	0.51
106_T	135_S	1.080	0.51
180_E	183_V	1.079	0.51
88_C	95_L	1.078	0.51
180_E	185_E	1.078	0.51
110_N	133_I	1.075	0.51
25_T	295_E	1.071	0.50
246_S	287_I	1.066	0.50
148_I	215_L	1.062	0.50
278_T	297_V	1.060	0.50
53_L	134_A	1.054	0.49
73_L	116_R	1.052	0.49
153_V	219_V	1.050	0.49
115_L	130_I	1.040	0.48
105_A	132_I	1.039	0.48
85_E	209_G	1.032	0.48
21_E	60_I	1.031	0.48
229_R	244_Y	1.027	0.47
60_I	164_M	1.004	0.46
174_A	181_D	1.002	0.46
116_R	125_P	0.999	0.46
254_E	258_R	0.996	0.45
9_Q	244_Y	0.995	0.45
26_G	46_E	0.993	0.45
276_V	298_A	0.991	0.45
55_R	145_R	0.990	0.45
55_R	149_G	0.989	0.45
140_E	143_P	0.988	0.45
27_V	66_M	0.983	0.44
278_T	295_E	0.982	0.44
88_C	91_V	0.977	0.44
54_P	58_K	0.976	0.44
265_V	298_A	0.968	0.43
176_L	179_G	0.968	0.43
154_G	256_C	0.962	0.43
157_V	247_H	0.958	0.43
7_D	22_V	0.958	0.43
200_H	284_D	0.956	0.43
45_A	230_I	0.953	0.42
261_A	277_V	0.952	0.42
86_E	179_G	0.952	0.42
130_I	223_R	0.948	0.42
84_V	291_N	0.942	0.42
137_T	181_D	0.940	0.42
136_A	146_E	0.936	0.41
243_T	283_N	0.934	0.41
284_D	291_N	0.934	0.41
120_P	231_Y	0.933	0.41
163_Q	196_S	0.928	0.41
199_G	256_C	0.926	0.41
186_F	229_R	0.924	0.41
61_D	163_Q	0.921	0.40
181_D	188_R	0.918	0.40
4_Q	8_V	0.917	0.40
111_A	153_V	0.913	0.40
157_V	243_T	0.910	0.40
61_D	167_E	0.910	0.40
119_T	233_T	0.907	0.39
134_A	146_E	0.907	0.39
199_G	281_Q	0.907	0.39
223_R	292_A	0.896	0.39
214_N	217_D	0.895	0.39
58_K	113_L	0.891	0.38
161_S	292_A	0.886	0.38
286_S	292_A	0.886	0.38
164_M	194_G	0.880	0.38
143_P	218_L	0.878	0.38
280_K	295_E	0.878	0.38
208_G	222_A	0.876	0.37
147_E	206_E	0.876	0.37
71_E	90_E	0.871	0.37
122_S	277_V	0.869	0.37
128_G	161_S	0.868	0.37
67_R	280_K	0.865	0.37
136_A	297_V	0.862	0.37
175_E	179_G	0.862	0.37
104_T	139_Q	0.862	0.37
231_Y	287_I	0.862	0.37
234_A	243_T	0.861	0.37
170_R	190_V	0.860	0.36
114_M	129_T	0.860	0.36
178_V	182_A	0.856	0.36
120_P	287_I	0.855	0.36
62_M	231_Y	0.852	0.36
25_T	48_E	0.851	0.36
85_E	144_T	0.850	0.36
164_M	193_A	0.847	0.36
161_S	240_D	0.846	0.36
203_L	260_M	0.846	0.36
84_V	191_P	0.845	0.36
194_G	234_A	0.842	0.35
181_D	217_D	0.842	0.35
261_A	296_R	0.841	0.35
243_T	287_I	0.841	0.35
234_A	283_N	0.838	0.35
202_T	280_K	0.837	0.35
98_K	127_Q	0.834	0.35
179_G	217_D	0.828	0.34
154_G	287_I	0.827	0.34
176_L	181_D	0.822	0.34
171_R	182_A	0.818	0.34
178_V	186_F	0.816	0.34
62_M	161_S	0.816	0.34
29_K	256_C	0.812	0.33
106_T	136_A	0.807	0.33
90_E	139_Q	0.806	0.33
18_G	31_V	0.806	0.33
59_G	63_S	0.804	0.33
59_G	158_C	0.804	0.33
63_S	158_C	0.804	0.33
91_V	94_R	0.803	0.33
19_L	22_V	0.801	0.33
80_P	143_P	0.800	0.33
164_M	242_M	0.800	0.33
162_Q	247_H	0.799	0.33
117_E	220_S	0.797	0.33
120_P	243_T	0.795	0.32
170_R	244_Y	0.795	0.32
156_T	256_C	0.795	0.32
228_A	245_E	0.794	0.32
35_R	50_Y	0.788	0.32
234_A	240_D	0.787	0.32
286_S	290_H	0.783	0.32
149_G	204_T	0.783	0.32
66_M	259_S	0.779	0.32
199_G	240_D	0.774	0.31
165_M	190_V	0.773	0.31
96_L	210_D	0.772	0.31
184_R	188_R	0.772	0.31
33_I	96_L	0.771	0.31
33_I	131_D	0.768	0.31
31_V	45_A	0.767	0.31
171_R	248_A	0.767	0.31
35_R	39_R	0.765	0.31
174_A	179_G	0.763	0.31
190_V	253_V	0.755	0.30
126_T	232_N	0.755	0.30
152_V	219_V	0.749	0.30
67_R	253_V	0.748	0.30
59_G	195_H	0.745	0.30
63_S	195_H	0.745	0.30
158_C	195_H	0.745	0.30
226_M	283_N	0.742	0.29
20_S	146_E	0.740	0.29
228_A	243_T	0.740	0.29
31_V	140_E	0.735	0.29
280_K	291_N	0.734	0.29
119_T	232_N	0.734	0.29
26_G	291_N	0.733	0.29
138_A	144_T	0.732	0.29
6_P	256_C	0.731	0.29
237_P	276_V	0.731	0.29
157_V	242_M	0.730	0.29
5_L	201_A	0.729	0.29
231_Y	242_M	0.728	0.29
43_L	112_E	0.728	0.29
231_Y	283_N	0.727	0.29
25_T	149_G	0.727	0.29
143_P	219_V	0.726	0.29
246_S	283_N	0.724	0.28
8_V	72_T	0.723	0.28
122_S	238_D	0.720	0.28
43_L	148_I	0.720	0.28
161_S	165_M	0.719	0.28
234_A	246_S	0.718	0.28
265_V	277_V	0.718	0.28
130_I	199_G	0.716	0.28
67_R	233_T	0.707	0.27
61_D	66_M	0.702	0.27
13_P	272_P	0.702	0.27
20_S	56_G	0.699	0.27
156_T	234_A	0.696	0.27
241_H	245_E	0.695	0.27
175_E	184_R	0.691	0.27
34_A	216_M	0.688	0.26
231_Y	240_D	0.684	0.26
58_K	70_D	0.683	0.26
154_G	243_T	0.683	0.26
113_L	143_P	0.677	0.26
194_G	256_C	0.673	0.26
115_L	122_S	0.673	0.26
13_P	55_R	0.671	0.26
83_R	87_M	0.670	0.26
154_G	246_S	0.669	0.25
157_V	192_Q	0.669	0.25
7_D	23_G	0.666	0.25
244_Y	248_A	0.665	0.25
90_E	107_V	0.665	0.25
154_G	194_G	0.665	0.25
242_M	287_I	0.663	0.25
154_G	228_A	0.660	0.25
127_Q	247_H	0.659	0.25
120_P	246_S	0.656	0.25
132_I	203_L	0.656	0.25
87_M	176_L	0.655	0.25
123_D	181_D	0.653	0.25
92_A	172_K	0.653	0.25
158_C	254_E	0.652	0.25
63_S	254_E	0.652	0.25
59_G	254_E	0.652	0.25
123_D	284_D	0.652	0.25
155_M	228_A	0.651	0.25
34_A	147_E	0.649	0.24
178_V	213_V	0.647	0.24
177_G	180_E	0.647	0.24
140_E	215_L	0.646	0.24
165_M	172_K	0.646	0.24
174_A	180_E	0.644	0.24
192_Q	234_A	0.642	0.24
285_E	288_H	0.642	0.24
240_D	283_N	0.641	0.24
175_E	188_R	0.640	0.24
188_R	248_A	0.637	0.24
247_H	287_I	0.636	0.24
34_A	204_T	0.636	0.24
176_L	182_A	0.635	0.24
130_I	228_A	0.634	0.24
24_V	134_A	0.630	0.24
139_Q	142_A	0.629	0.23
267_E	279_M	0.628	0.23
29_K	47_F	0.626	0.23
50_Y	124_L	0.624	0.23
71_E	135_S	0.623	0.23
155_M	256_C	0.618	0.23
252_F	258_R	0.617	0.23
234_A	293_H	0.616	0.23
156_T	283_N	0.615	0.23
169_A	191_P	0.615	0.23
196_S	283_N	0.615	0.23
96_L	140_E	0.614	0.23
158_C	258_R	0.609	0.23
63_S	258_R	0.609	0.23
98_K	253_V	0.609	0.23
59_G	258_R	0.609	0.23
117_E	291_N	0.609	0.23
122_S	237_P	0.609	0.23
32_E	81_I	0.609	0.23
93_E	210_D	0.609	0.23
119_T	259_S	0.605	0.22
8_V	104_T	0.604	0.22
74_E	87_M	0.603	0.22
34_A	209_G	0.602	0.22
61_D	199_G	0.600	0.22
32_E	73_L	0.599	0.22
195_H	254_E	0.592	0.22
154_G	283_N	0.592	0.22
154_G	201_A	0.592	0.22
32_E	40_P	0.591	0.22
18_G	279_M	0.588	0.22
91_V	170_R	0.588	0.22
149_G	200_H	0.588	0.22
20_S	294_A	0.587	0.21
11_T	56_G	0.586	0.21
151_R	295_E	0.583	0.21
9_Q	233_T	0.582	0.21
137_T	297_V	0.581	0.21
199_G	238_D	0.576	0.21
123_D	275_A	0.573	0.21
124_L	237_P	0.572	0.21
115_L	252_F	0.570	0.21
56_G	210_D	0.570	0.21
110_N	218_L	0.566	0.21
56_G	140_E	0.565	0.20
171_R	175_E	0.564	0.20
231_Y	246_S	0.560	0.20
243_T	246_S	0.559	0.20
171_R	185_E	0.558	0.20
231_Y	243_T	0.558	0.20
6_P	48_E	0.558	0.20
56_G	109_M	0.557	0.20
203_L	215_L	0.557	0.20
245_E	276_V	0.555	0.20
50_Y	123_D	0.555	0.20
232_N	242_M	0.554	0.20
235_K	248_A	0.553	0.20
34_A	77_V	0.551	0.20
154_G	234_A	0.549	0.20
40_P	118_E	0.549	0.20
126_T	192_Q	0.548	0.20
105_A	116_R	0.546	0.20
260_M	281_Q	0.545	0.20
195_H	258_R	0.545	0.20
61_D	126_T	0.544	0.20
67_R	124_L	0.543	0.20
162_Q	283_N	0.539	0.19
155_M	287_I	0.539	0.19
242_M	256_C	0.536	0.19
87_M	260_M	0.536	0.19
183_V	189_D	0.534	0.19
204_T	278_T	0.534	0.19
105_A	237_P	0.533	0.19
157_V	251_K	0.532	0.19
30_L	193_A	0.532	0.19
86_E	93_E	0.531	0.19
162_Q	250_A	0.531	0.19
45_A	84_V	0.530	0.19
162_Q	199_G	0.530	0.19
231_Y	234_A	0.529	0.19
32_E	42_V	0.529	0.19
103_T	116_R	0.529	0.19
120_P	234_A	0.529	0.19
155_M	240_D	0.529	0.19
14_D	74_E	0.526	0.19
92_A	229_R	0.526	0.19
185_E	266_E	0.525	0.19
87_M	262_R	0.525	0.19
4_Q	224_D	0.522	0.19
26_G	295_E	0.522	0.19
208_G	262_R	0.521	0.19
196_S	234_A	0.521	0.19
135_S	205_V	0.521	0.19
247_H	283_N	0.520	0.19
60_I	233_T	0.519	0.19
49_V	190_V	0.519	0.19
175_E	262_R	0.518	0.18
104_T	171_R	0.515	0.18
154_G	164_M	0.513	0.18
31_V	208_G	0.513	0.18
154_G	231_Y	0.513	0.18
60_I	291_N	0.513	0.18
14_D	31_V	0.510	0.18
28_E	148_I	0.510	0.18
127_Q	234_A	0.509	0.18
9_Q	292_A	0.505	0.18
201_A	260_M	0.505	0.18
180_E	280_K	0.504	0.18
33_I	221_V	0.502	0.18
257_V	281_Q	0.500	0.18
66_M	166_S	0.500	0.18
137_T	175_E	0.500	0.18

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
2r5rA	4	0.791	100	0.208	Contact Map
3d2oA	4	0.7846	100	0.211	Contact Map
2cg8A	4	0.7492	55.2	0.965	Contact Map
1sqlA	5	0.3633	53.1	0.965	Contact Map
3v9oA	3	0.3666	44.8	0.967	Contact Map
2o90A	4	0.3408	40.4	0.968	Contact Map
3o1kA	4	0.3505	35.6	0.969	Contact Map
1b9lA	4	0.3537	33.2	0.969	Contact Map
3r2eA	4	0.3473	30.5	0.97	Contact Map
4aeyA	3	0.3344	27.9	0.97	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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