PUR7 - HALSA - GREMLIN Contacts

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PUR7 - Putative phosphoribosylaminoimidazole-succinocarboxamide synthase

UniProt:	Q9HNU7	Sequences: MASVKDRRVESPATDTDLGRGVFEFSDRYSVFDWGEMPDHVPGKGASLCTMGAYTFEQLAAAGVPTHYQGVRTPDGETVRLADAPEAPTQMVIDLTQVPTLPFEDGSYDYDRYHDAGGSNYLVPLEVVFRNAVPVGSSLRTRCAPADVGIDADEWPQGPVELPETIVEFSTKYEEQDRYLSRSMADEIAGDADIAELDALARRVNETITDCAADAGFVHDDGKLECVYVDGEVRVADVAGTFDENRFRFDGREVSKEAVRQFYKRSDPEWVGAVKDAKRAADERGVADWKSLCEPSPDPLPPEILQAAADLYAAGANRYTAREWFDAPPLGDALDAFE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	338 (271)
Sequences:	2054 (948)
Seq/√Len:	57.6

ECOLI - PUR7
BACSU - PUR7
HALSA - PUR7
SULSO - PUR7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
129_F	201_A	4.162	1.00
128_V	170_S	3.478	1.00
191_D	195_A	3.279	1.00
182_R	198_D	2.919	1.00
61_A	207_T	2.917	1.00
122_L	236_A	2.871	1.00
266_S	304_I	2.814	1.00
254_V	257_E	2.795	1.00
123_V	233_V	2.781	1.00
43_G	309_A	2.779	1.00
184_M	187_E	2.683	1.00
32_F	272_G	2.574	1.00
302_P	306_Q	2.547	1.00
161_E	213_A	2.376	1.00
193_D	228_Y	2.371	1.00
157_Q	160_V	2.321	1.00
160_V	255_S	2.315	1.00
317_N	323_E	2.301	1.00
167_V	185_A	2.262	1.00
219_H	247_F	2.241	1.00
65_P	232_E	2.236	1.00
213_A	250_D	2.185	1.00
57_E	60_A	2.182	1.00
52_G	56_F	2.167	1.00
39_D	299_P	2.144	1.00
37_M	267_D	2.131	1.00
252_R	260_R	2.116	1.00
20_R	69_Q	2.102	1.00
125_L	185_A	2.073	1.00
123_V	193_D	2.024	1.00
140_R	144_A	2.021	1.00
200_L	233_V	1.990	1.00
309_A	313_A	1.989	1.00
120_N	229_V	1.962	1.00
196_E	232_E	1.953	1.00
39_D	305_L	1.913	1.00
196_E	199_A	1.895	1.00
170_S	179_Y	1.878	1.00
123_V	197_L	1.870	1.00
29_Y	267_D	1.857	1.00
140_R	146_A	1.840	1.00
217_F	247_F	1.834	0.99
64_V	200_L	1.815	0.99
306_Q	310_D	1.801	0.99
25_F	49_C	1.772	0.99
164_E	206_E	1.759	0.99
43_G	46_A	1.754	0.99
307_A	310_D	1.743	0.99
46_A	50_T	1.738	0.99
58_Q	211_C	1.732	0.99
3_S	6_D	1.731	0.99
182_R	194_I	1.721	0.99
11_S	26_S	1.717	0.99
313_A	324_W	1.716	0.99
129_F	202_R	1.701	0.99
156_P	162_L	1.684	0.99
53_A	71_V	1.676	0.99
54_Y	211_C	1.670	0.99
270_W	287_A	1.662	0.99
125_L	180_L	1.643	0.99
313_A	317_N	1.583	0.98
158_G	258_A	1.576	0.98
235_V	239_A	1.575	0.98
204_V	224_L	1.532	0.98
107_S	111_D	1.526	0.98
38_P	299_P	1.501	0.98
148_V	179_Y	1.500	0.98
136_G	179_Y	1.483	0.98
193_D	233_V	1.468	0.97
58_Q	207_T	1.468	0.97
203_R	207_T	1.462	0.97
186_D	191_D	1.449	0.97
31_V	271_V	1.430	0.97
204_V	239_A	1.400	0.97
180_L	184_M	1.386	0.96
145_P	154_E	1.368	0.96
193_D	196_E	1.345	0.96
184_M	188_I	1.341	0.96
199_A	203_R	1.340	0.96
127_V	197_L	1.319	0.95
133_V	147_D	1.312	0.95
146_A	151_D	1.305	0.95
54_Y	58_Q	1.296	0.95
34_W	297_P	1.284	0.95
139_L	272_G	1.280	0.94
210_D	214_D	1.267	0.94
206_E	210_D	1.266	0.94
229_V	232_E	1.259	0.94
163_P	209_T	1.259	0.94
195_A	199_A	1.257	0.94
292_L	295_P	1.243	0.94
161_E	209_T	1.238	0.93
157_Q	255_S	1.231	0.93
131_N	205_N	1.222	0.93
138_S	142_R	1.215	0.93
211_C	214_D	1.215	0.93
134_P	158_G	1.215	0.93
152_A	162_L	1.214	0.93
120_N	236_A	1.213	0.93
123_V	228_Y	1.209	0.93
249_F	260_R	1.197	0.92
181_S	184_M	1.178	0.92
182_R	195_A	1.173	0.91
205_N	209_T	1.166	0.91
209_T	213_A	1.165	0.91
159_P	258_A	1.164	0.91
314_A	318_R	1.153	0.91
43_G	313_A	1.146	0.90
265_R	269_E	1.144	0.90
124_P	174_E	1.136	0.90
53_A	112_R	1.134	0.90
272_G	293_C	1.132	0.90
182_R	186_D	1.131	0.90
53_A	68_Y	1.131	0.90
270_W	300_L	1.124	0.90
56_F	67_H	1.111	0.89
266_S	307_A	1.100	0.88
59_L	63_G	1.088	0.88
196_E	200_L	1.082	0.88
46_A	109_D	1.081	0.88
249_F	252_R	1.081	0.88
16_T	19_G	1.080	0.88
289_W	298_D	1.078	0.87
70_G	75_D	1.070	0.87
132_A	161_E	1.070	0.87
180_L	188_I	1.065	0.87
15_D	119_S	1.059	0.86
50_T	53_A	1.056	0.86
53_A	57_E	1.056	0.86
59_L	204_V	1.043	0.86
127_V	201_A	1.039	0.85
173_Y	178_R	1.038	0.85
55_T	248_R	1.038	0.85
304_I	308_A	1.035	0.85
17_D	20_R	1.028	0.85
183_S	186_D	1.026	0.85
228_Y	233_V	1.019	0.84
6_D	11_S	1.015	0.84
50_T	316_A	1.002	0.83
196_E	233_V	0.999	0.83
307_A	311_L	0.990	0.83
189_A	193_D	0.984	0.82
159_P	259_V	0.983	0.82
262_F	315_G	0.981	0.82
171_T	188_I	0.979	0.82
297_P	300_L	0.961	0.81
127_V	167_V	0.958	0.80
71_V	74_P	0.955	0.80
186_D	195_A	0.950	0.80
63_G	203_R	0.947	0.80
195_A	198_D	0.946	0.80
317_N	324_W	0.942	0.79
262_F	318_R	0.941	0.79
5_K	12_P	0.934	0.79
121_Y	231_G	0.921	0.78
57_E	322_R	0.920	0.78
178_R	184_M	0.910	0.77
38_P	297_P	0.908	0.77
134_P	159_P	0.908	0.77
74_P	108_Y	0.905	0.76
34_W	294_E	0.888	0.75
22_V	107_S	0.884	0.75
206_E	209_T	0.883	0.75
15_D	18_L	0.880	0.74
72_R	75_D	0.875	0.74
5_K	23_F	0.874	0.74
137_S	152_A	0.874	0.74
316_A	320_T	0.871	0.74
59_L	207_T	0.869	0.74
34_W	295_P	0.868	0.73
229_V	234_R	0.867	0.73
151_D	154_E	0.866	0.73
63_G	66_T	0.862	0.73
70_G	113_Y	0.853	0.72
310_D	317_N	0.850	0.72
47_S	309_A	0.837	0.71
299_P	302_P	0.837	0.71
170_S	180_L	0.836	0.71
138_S	157_Q	0.835	0.70
189_A	197_L	0.834	0.70
134_P	258_A	0.834	0.70
207_T	211_C	0.826	0.70
194_I	198_D	0.825	0.70
142_R	157_Q	0.821	0.69
58_Q	61_A	0.818	0.69
211_C	319_Y	0.816	0.69
115_D	234_R	0.811	0.68
287_A	294_E	0.810	0.68
3_S	13_A	0.806	0.68
16_T	20_R	0.806	0.68
139_L	142_R	0.805	0.68
134_P	162_L	0.801	0.67
59_L	66_T	0.797	0.67
140_R	145_P	0.793	0.67
152_A	166_I	0.791	0.66
47_S	242_F	0.789	0.66
123_V	171_T	0.783	0.66
132_A	218_V	0.783	0.66
150_I	166_I	0.782	0.65
222_G	245_N	0.778	0.65
137_S	140_R	0.776	0.65
258_A	269_E	0.775	0.65
16_T	113_Y	0.774	0.65
63_G	200_L	0.774	0.65
267_D	308_A	0.772	0.64
211_C	215_A	0.771	0.64
165_T	206_E	0.764	0.64
43_G	324_W	0.763	0.64
120_N	234_R	0.763	0.64
210_D	213_A	0.760	0.63
203_R	206_E	0.756	0.63
68_Y	113_Y	0.756	0.63
251_G	318_R	0.754	0.63
46_A	108_Y	0.754	0.63
180_L	185_A	0.753	0.62
70_G	74_P	0.753	0.62
134_P	163_P	0.753	0.62
204_V	240_G	0.752	0.62
286_V	303_E	0.751	0.62
59_L	239_A	0.740	0.61
9_V	28_R	0.736	0.61
185_A	188_I	0.734	0.61
185_A	194_I	0.734	0.61
123_V	189_A	0.731	0.60
17_D	119_S	0.728	0.60
190_G	193_D	0.727	0.60
272_G	287_A	0.722	0.59
38_P	298_D	0.721	0.59
39_D	297_P	0.719	0.59
138_S	236_A	0.717	0.59
224_L	239_A	0.716	0.59
47_S	324_W	0.714	0.58
150_I	182_R	0.713	0.58
133_V	138_S	0.709	0.58
137_S	162_L	0.707	0.58
161_E	211_C	0.707	0.58
138_S	160_V	0.704	0.57
60_A	310_D	0.703	0.57
69_Q	72_R	0.702	0.57
125_L	188_I	0.702	0.57
49_C	56_F	0.701	0.57
29_Y	266_S	0.701	0.57
121_Y	230_D	0.696	0.56
207_T	210_D	0.693	0.56
15_D	19_G	0.693	0.56
249_F	262_F	0.691	0.56
139_L	265_R	0.689	0.56
201_A	204_V	0.686	0.55
137_S	148_V	0.685	0.55
289_W	292_L	0.683	0.55
128_V	197_L	0.681	0.55
34_W	296_S	0.680	0.55
316_A	321_A	0.677	0.54
310_D	314_A	0.674	0.54
271_V	300_L	0.668	0.53
160_V	253_E	0.666	0.53
133_V	160_V	0.663	0.53
222_G	244_E	0.662	0.53
112_R	115_D	0.662	0.53
159_P	253_E	0.661	0.53
208_I	219_H	0.660	0.53
57_E	68_Y	0.660	0.53
132_A	205_N	0.658	0.52
213_A	218_V	0.658	0.52
170_S	181_S	0.657	0.52
260_R	269_E	0.656	0.52
153_D	156_P	0.655	0.52
199_A	214_D	0.654	0.52
301_P	304_I	0.652	0.52
289_W	297_P	0.652	0.52
267_D	300_L	0.651	0.52
133_V	156_P	0.649	0.51
253_E	256_K	0.647	0.51
25_F	56_F	0.645	0.51
21_G	114_H	0.642	0.51
12_P	21_G	0.638	0.50
61_A	65_P	0.636	0.50
140_R	143_C	0.632	0.49
186_D	198_D	0.627	0.49
12_P	25_F	0.627	0.49
26_S	184_M	0.626	0.49
32_F	300_L	0.625	0.49
286_V	294_E	0.624	0.49
23_F	236_A	0.623	0.48
286_V	293_C	0.622	0.48
263_Y	267_D	0.622	0.48
137_S	147_D	0.621	0.48
182_R	191_D	0.619	0.48
124_P	188_I	0.618	0.48
146_A	150_I	0.618	0.48
70_G	73_T	0.616	0.48
192_A	196_E	0.613	0.47
313_A	323_E	0.611	0.47
138_S	158_G	0.610	0.47
5_K	112_R	0.607	0.47
60_A	192_A	0.607	0.47
128_V	179_Y	0.606	0.47
156_P	160_V	0.606	0.47
54_Y	214_D	0.603	0.46
272_G	288_D	0.603	0.46
38_P	267_D	0.602	0.46
255_S	259_V	0.601	0.46
41_V	305_L	0.601	0.46
138_S	319_Y	0.599	0.46
200_L	226_C	0.596	0.45
65_P	234_R	0.596	0.45
34_W	300_L	0.592	0.45
34_W	38_P	0.591	0.45
179_Y	224_L	0.587	0.45
121_Y	206_E	0.586	0.44
293_C	297_P	0.586	0.44
266_S	311_L	0.584	0.44
170_S	184_M	0.583	0.44
168_E	245_N	0.582	0.44
10_E	245_N	0.580	0.44
34_W	170_S	0.578	0.44
171_T	259_V	0.577	0.43
39_D	267_D	0.576	0.43
128_V	136_G	0.574	0.43
137_S	150_I	0.573	0.43
107_S	120_N	0.572	0.43
238_V	244_E	0.572	0.43
61_A	66_T	0.570	0.43
208_I	240_G	0.569	0.43
54_Y	253_E	0.568	0.42
191_D	206_E	0.567	0.42
202_R	206_E	0.565	0.42
139_L	292_L	0.563	0.42
10_E	238_V	0.562	0.42
12_P	23_F	0.562	0.42
10_E	141_T	0.561	0.42
130_R	221_D	0.560	0.42
38_P	296_S	0.560	0.42
148_V	152_A	0.559	0.41
49_C	53_A	0.559	0.41
42_P	305_L	0.558	0.41
304_I	315_G	0.554	0.41
179_Y	271_V	0.553	0.41
138_S	258_A	0.552	0.41
168_E	222_G	0.551	0.41
149_G	165_T	0.551	0.41
161_E	255_S	0.550	0.41
23_F	59_L	0.549	0.40
151_D	196_E	0.548	0.40
11_S	28_R	0.547	0.40
54_Y	57_E	0.546	0.40
192_A	231_G	0.546	0.40
158_G	259_V	0.546	0.40
238_V	245_N	0.546	0.40
56_F	234_R	0.544	0.40
251_G	254_V	0.541	0.40
134_P	140_R	0.541	0.40
257_E	302_P	0.540	0.39
140_R	148_V	0.538	0.39
160_V	163_P	0.535	0.39
168_E	238_V	0.535	0.39
115_D	229_V	0.533	0.39
249_F	266_S	0.533	0.39
231_G	234_R	0.532	0.39
294_E	297_P	0.531	0.39
123_V	236_A	0.531	0.39
27_D	40_H	0.531	0.39
47_S	51_M	0.529	0.38
164_E	183_S	0.528	0.38
23_F	63_G	0.527	0.38
134_P	272_G	0.527	0.38
161_E	206_E	0.526	0.38
287_A	295_P	0.525	0.38
316_A	324_W	0.524	0.38
6_D	26_S	0.524	0.38
238_V	241_T	0.524	0.38
71_V	113_Y	0.522	0.38
248_R	263_Y	0.521	0.37
196_E	228_Y	0.519	0.37
200_L	203_R	0.519	0.37
148_V	170_S	0.518	0.37
153_D	163_P	0.518	0.37
306_Q	309_A	0.518	0.37
152_A	201_A	0.517	0.37
286_V	302_P	0.517	0.37
198_D	202_R	0.517	0.37
293_C	296_S	0.516	0.37
130_R	246_R	0.516	0.37
29_Y	242_F	0.514	0.37
304_I	307_A	0.511	0.36
168_E	244_E	0.511	0.36
260_R	319_Y	0.510	0.36
269_E	272_G	0.510	0.36
182_R	199_A	0.509	0.36
10_E	244_E	0.509	0.36
10_E	168_E	0.508	0.36
170_S	178_R	0.507	0.36
22_V	113_Y	0.506	0.36
52_G	239_A	0.506	0.36
249_F	318_R	0.505	0.36
187_E	206_E	0.505	0.36
289_W	300_L	0.505	0.36
270_W	288_D	0.505	0.36
259_V	316_A	0.504	0.36
301_P	308_A	0.504	0.36
134_P	257_E	0.503	0.36
5_K	174_E	0.502	0.36
106_G	109_D	0.502	0.36
39_D	302_P	0.501	0.35
18_L	119_S	0.501	0.35
40_H	305_L	0.500	0.35

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
2cnqA	1	0.855	100	0.247	Contact Map
3r9rA	1	0.8373	100	0.253	Contact Map
2ywvA	2	0.6775	100	0.414	Contact Map
3nuaA	2	0.6746	100	0.415	Contact Map
4fe2A	2	0.6775	100	0.416	Contact Map
2z02A	2	0.6746	100	0.42	Contact Map
1kutA	2	0.6509	100	0.423	Contact Map
2gqrA	2	0.6834	100	0.426	Contact Map
3kreA	2	0.6805	100	0.429	Contact Map
2h31A	6	0.6538	100	0.432	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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