PUR5 - SULSO - GREMLIN Contacts

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PUR5 - Phosphoribosylformylglycinamidine cyclo-ligase

UniProt:	Q9UX29	Sequences: MVSEEYKKAGVDLEKLRNYHNMISQIISSTYKNTIIGAGHYSGVIKIGSLNIAMHTDGVGTKTFLALQTRIIKPVGIDCVAMNVNDLICVGAKPVALVDYIALERPMDNVVNEIIDGIVQGAKEADVEVIGGETAIMPDVIRGFDLSCTAIGVVDKLKTGAEIRPGDYVLGLESSGIHANGYSLVRKLIEEGKLSLDEYKNELLKPTKIYVKPILEVMNMIKGAAHVTGGAFSKLKRLTSYKIVLNMPDPPQIFKTIEKAGVAHEEMYKVFNMGIGIVLFVSEELMKEVKTKLEGYGTVYELGRVYNGNGITIKTYKNEILRL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	323 (308)
Sequences:	3318 (1712)
Seq/√Len:	97.6

ECOLI - PUR5
BACSU - PUR5
HALSA - Q9HR39
SULSO - PUR5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
72_I	144_F	3.950	1.00
177_I	185_V	3.821	1.00
29_S	123_K	3.806	1.00
163_I	223_G	3.304	1.00
69_T	200_K	2.897	1.00
120_Q	124_E	2.867	1.00
165_P	307_N	2.856	1.00
170_L	299_V	2.800	1.00
125_A	209_I	2.782	1.00
169_V	278_V	2.768	1.00
120_Q	123_K	2.723	1.00
46_K	156_K	2.712	1.00
275_I	302_L	2.620	1.00
169_V	280_F	2.589	1.00
32_K	93_K	2.549	1.00
224_A	277_I	2.542	1.00
188_L	262_V	2.472	1.00
290_K	299_V	2.423	1.00
7_K	12_D	2.378	1.00
171_G	275_I	2.278	1.00
22_M	112_N	2.271	1.00
71_I	201_N	2.247	1.00
170_L	290_K	2.220	1.00
67_L	143_G	2.219	1.00
238_L	280_F	2.159	1.00
245_L	264_H	2.143	1.00
222_K	282_S	2.127	1.00
18_N	22_M	2.127	1.00
281_V	289_V	2.098	1.00
87_L	150_A	2.018	1.00
162_E	222_K	2.006	1.00
43_G	130_I	1.971	1.00
195_S	198_E	1.961	1.00
167_D	222_K	1.916	1.00
137_M	141_I	1.912	1.00
232_F	235_L	1.890	1.00
177_I	182_Y	1.831	1.00
242_K	308_G	1.830	1.00
223_G	238_L	1.807	1.00
188_L	257_I	1.785	1.00
73_K	116_D	1.765	1.00
202_E	205_K	1.750	1.00
17_R	233_S	1.743	1.00
121_G	209_I	1.739	1.00
268_Y	273_M	1.726	1.00
258_E	264_H	1.722	1.00
286_M	301_E	1.714	1.00
282_S	285_L	1.703	1.00
14_E	269_K	1.691	1.00
103_L	111_V	1.689	1.00
224_A	279_L	1.680	1.00
77_I	121_G	1.628	1.00
89_C	224_A	1.628	1.00
245_L	268_Y	1.623	1.00
63_T	140_V	1.621	1.00
232_F	278_V	1.618	1.00
19_Y	23_I	1.614	1.00
55_H	87_L	1.598	1.00
287_K	291_T	1.598	1.00
26_I	116_D	1.575	1.00
5_E	8_K	1.572	1.00
15_K	108_D	1.572	1.00
116_D	120_Q	1.560	1.00
34_T	45_I	1.560	1.00
101_I	111_V	1.548	1.00
19_Y	111_V	1.542	1.00
258_E	267_M	1.538	1.00
64_F	143_G	1.532	1.00
290_K	301_E	1.518	1.00
77_I	124_E	1.499	1.00
21_N	24_S	1.497	1.00
249_D	300_Y	1.466	1.00
22_M	109_N	1.460	1.00
285_L	288_E	1.458	1.00
220_M	292_K	1.454	1.00
170_L	301_E	1.449	1.00
286_M	290_K	1.444	1.00
124_E	209_I	1.443	1.00
173_E	300_Y	1.434	1.00
217_V	289_V	1.423	1.00
288_E	291_T	1.422	1.00
70_R	110_V	1.421	1.00
48_G	51_N	1.401	0.99
54_M	96_A	1.388	0.99
26_I	112_N	1.378	0.99
175_S	205_K	1.378	0.99
65_L	69_T	1.376	0.99
249_D	255_K	1.375	0.99
217_V	293_L	1.346	0.99
283_E	304_R	1.345	0.99
214_I	279_L	1.341	0.99
75_V	146_L	1.327	0.99
163_I	305_V	1.314	0.99
44_V	53_A	1.313	0.99
169_V	243_I	1.311	0.99
289_V	292_K	1.310	0.99
16_L	20_H	1.307	0.99
154_V	157_L	1.296	0.99
163_I	238_L	1.295	0.99
168_Y	286_M	1.292	0.99
250_P	255_K	1.279	0.99
177_I	253_I	1.270	0.99
308_G	311_I	1.268	0.99
164_R	282_S	1.265	0.99
82_M	179_A	1.250	0.99
214_I	277_I	1.243	0.99
68_Q	190_E	1.230	0.99
213_P	216_E	1.222	0.99
65_L	196_L	1.218	0.99
64_F	68_Q	1.209	0.98
235_L	243_I	1.200	0.98
263_A	266_E	1.194	0.98
111_V	114_I	1.193	0.98
82_M	207_T	1.193	0.98
160_G	163_I	1.184	0.98
216_E	296_Y	1.182	0.98
168_Y	301_E	1.178	0.98
126_D	212_K	1.176	0.98
113_E	116_D	1.172	0.98
216_E	219_N	1.161	0.98
216_E	292_K	1.159	0.98
172_L	277_I	1.157	0.98
126_D	215_L	1.154	0.98
171_G	249_D	1.150	0.98
267_M	271_F	1.143	0.98
96_A	151_I	1.140	0.98
32_K	45_I	1.139	0.98
83_N	150_A	1.126	0.98
294_E	298_T	1.125	0.98
106_P	111_V	1.124	0.98
93_K	126_D	1.110	0.97
54_M	151_I	1.109	0.97
42_S	53_A	1.104	0.97
26_I	119_V	1.103	0.97
101_I	114_I	1.103	0.97
159_T	162_E	1.101	0.97
179_A	207_T	1.094	0.97
18_N	21_N	1.083	0.97
279_L	289_V	1.076	0.97
4_E	8_K	1.074	0.97
189_I	256_T	1.073	0.97
14_E	17_R	1.068	0.97
121_G	125_A	1.066	0.97
173_E	299_V	1.065	0.97
262_V	267_M	1.062	0.97
46_K	50_L	1.061	0.97
5_E	266_E	1.058	0.96
189_I	194_L	1.057	0.96
88_I	277_I	1.053	0.96
194_L	198_E	1.052	0.96
50_L	153_V	1.049	0.96
53_A	92_A	1.045	0.96
255_K	259_K	1.045	0.96
28_S	31_Y	1.043	0.96
250_P	273_M	1.039	0.96
261_G	267_M	1.032	0.96
168_Y	283_E	1.030	0.96
266_E	270_V	1.030	0.96
169_V	305_V	1.014	0.95
211_V	215_L	1.012	0.95
173_E	298_T	1.009	0.95
220_M	288_E	1.004	0.95
124_E	212_K	1.003	0.95
84_V	150_A	1.003	0.95
292_K	296_Y	1.001	0.95
97_L	148_C	0.998	0.95
67_L	140_V	0.994	0.95
31_Y	35_I	0.990	0.95
93_K	219_N	0.987	0.95
121_G	124_E	0.984	0.95
213_P	293_L	0.982	0.95
218_M	224_A	0.981	0.95
254_F	267_M	0.981	0.95
19_Y	108_D	0.975	0.94
81_A	209_I	0.956	0.94
249_D	252_Q	0.950	0.94
233_S	236_K	0.950	0.94
96_A	130_I	0.949	0.94
114_I	146_L	0.948	0.94
17_R	269_K	0.946	0.93
214_I	218_M	0.937	0.93
190_E	196_L	0.932	0.93
291_T	295_G	0.930	0.93
82_M	209_I	0.925	0.93
249_D	298_T	0.922	0.93
281_V	286_M	0.922	0.93
172_L	293_L	0.921	0.93
64_F	140_V	0.916	0.92
275_I	300_Y	0.916	0.92
273_M	308_G	0.907	0.92
189_I	196_L	0.907	0.92
64_F	67_L	0.907	0.92
255_K	258_E	0.906	0.92
88_I	214_I	0.906	0.92
170_L	281_V	0.905	0.92
214_I	224_A	0.904	0.92
256_T	260_A	0.900	0.92
44_V	157_L	0.899	0.92
93_K	215_L	0.898	0.92
56_T	149_T	0.889	0.91
194_L	199_Y	0.888	0.91
235_L	278_V	0.884	0.91
194_L	260_A	0.868	0.90
48_G	156_K	0.866	0.90
31_Y	37_G	0.852	0.89
167_D	282_S	0.851	0.89
291_T	294_E	0.839	0.89
77_I	120_Q	0.837	0.88
231_A	234_K	0.837	0.88
19_Y	115_I	0.835	0.88
213_P	296_Y	0.834	0.88
83_N	97_L	0.834	0.88
287_K	301_E	0.833	0.88
42_S	90_V	0.833	0.88
301_E	304_R	0.832	0.88
189_I	192_G	0.827	0.88
13_L	269_K	0.825	0.88
163_I	222_K	0.825	0.88
12_D	15_K	0.822	0.88
225_A	232_F	0.817	0.87
23_I	27_I	0.814	0.87
164_R	222_K	0.814	0.87
81_A	207_T	0.813	0.87
196_L	199_Y	0.808	0.87
190_E	194_L	0.808	0.87
248_P	275_I	0.808	0.87
47_I	51_N	0.806	0.86
225_A	278_V	0.805	0.86
168_Y	304_R	0.802	0.86
47_I	153_V	0.795	0.86
163_I	240_S	0.794	0.86
187_K	191_E	0.794	0.86
81_A	179_A	0.794	0.86
189_I	257_I	0.793	0.86
101_I	146_L	0.792	0.86
140_V	143_G	0.792	0.86
79_C	146_L	0.791	0.85
290_K	294_E	0.786	0.85
179_A	209_I	0.785	0.85
13_L	17_R	0.783	0.85
119_V	123_K	0.782	0.85
48_G	155_D	0.781	0.85
34_T	93_K	0.780	0.85
73_K	113_E	0.771	0.84
108_D	112_N	0.771	0.84
158_K	163_I	0.770	0.84
216_E	220_M	0.770	0.84
196_L	200_K	0.769	0.84
88_I	216_E	0.767	0.84
137_M	140_V	0.764	0.83
75_V	114_I	0.763	0.83
109_N	113_E	0.763	0.83
170_L	289_V	0.762	0.83
104_E	142_R	0.760	0.83
13_L	16_L	0.755	0.83
26_I	29_S	0.749	0.82
15_K	105_R	0.749	0.82
171_G	300_Y	0.744	0.82
288_E	292_K	0.740	0.81
15_K	18_N	0.739	0.81
45_I	96_A	0.739	0.81
19_Y	114_I	0.737	0.81
121_G	211_V	0.734	0.81
192_G	260_A	0.734	0.81
36_I	46_K	0.734	0.81
49_S	153_V	0.733	0.81
283_E	301_E	0.729	0.80
258_E	262_V	0.727	0.80
107_M	110_V	0.720	0.80
114_I	118_I	0.719	0.80
266_E	269_K	0.714	0.79
4_E	188_L	0.712	0.79
221_I	289_V	0.706	0.78
36_I	157_L	0.705	0.78
13_L	266_E	0.703	0.78
18_N	109_N	0.703	0.78
250_P	258_E	0.703	0.78
5_E	269_K	0.700	0.78
53_A	154_V	0.699	0.78
171_G	302_L	0.698	0.78
54_M	130_I	0.692	0.77
283_E	286_M	0.692	0.77
215_L	219_N	0.690	0.77
16_L	136_I	0.690	0.77
250_P	264_H	0.690	0.77
35_I	128_E	0.687	0.76
199_Y	203_L	0.685	0.76
185_V	190_E	0.685	0.76
232_F	268_Y	0.683	0.76
110_V	114_I	0.682	0.76
13_L	270_V	0.681	0.76
22_M	108_D	0.680	0.76
278_V	302_L	0.679	0.76
196_L	203_L	0.678	0.75
66_A	75_V	0.677	0.75
45_I	153_V	0.675	0.75
19_Y	27_I	0.675	0.75
19_Y	101_I	0.675	0.75
4_E	270_V	0.674	0.75
20_H	136_I	0.674	0.75
4_E	262_V	0.674	0.75
218_M	221_I	0.671	0.75
19_Y	79_C	0.669	0.75
65_L	185_V	0.668	0.74
139_D	183_S	0.666	0.74
50_L	155_D	0.665	0.74
217_V	292_K	0.665	0.74
87_L	152_G	0.662	0.74
55_H	88_I	0.660	0.74
169_V	279_L	0.658	0.73
202_E	253_I	0.654	0.73
244_V	304_R	0.654	0.73
18_N	108_D	0.648	0.72
158_K	224_A	0.645	0.72
40_H	90_V	0.640	0.71
47_I	50_L	0.639	0.71
74_P	117_G	0.634	0.71
98_V	149_T	0.633	0.70
267_M	273_M	0.632	0.70
172_L	213_P	0.631	0.70
165_P	304_R	0.631	0.70
29_S	120_Q	0.630	0.70
212_K	215_L	0.629	0.70
46_K	155_D	0.628	0.70
97_L	149_T	0.627	0.70
217_V	221_I	0.626	0.70
257_I	262_V	0.626	0.70
100_Y	145_D	0.624	0.69
70_R	113_E	0.621	0.69
79_C	232_F	0.621	0.69
65_L	200_K	0.621	0.69
5_E	270_V	0.620	0.69
46_K	49_S	0.619	0.69
169_V	238_L	0.619	0.69
71_I	200_K	0.616	0.68
193_K	198_E	0.613	0.68
4_E	266_E	0.613	0.68
69_T	204_L	0.613	0.68
34_T	128_E	0.613	0.68
34_T	46_K	0.610	0.68
158_K	223_G	0.609	0.67
150_A	207_T	0.608	0.67
82_M	150_A	0.608	0.67
122_A	129_V	0.607	0.67
218_M	289_V	0.603	0.67
286_M	299_V	0.603	0.67
81_A	121_G	0.601	0.66
68_Q	196_L	0.601	0.66
294_E	299_V	0.600	0.66
250_P	268_Y	0.597	0.66
215_L	218_M	0.595	0.66
185_V	257_I	0.594	0.66
217_V	279_L	0.593	0.65
46_K	153_V	0.592	0.65
190_E	256_T	0.591	0.65
214_I	217_V	0.591	0.65
16_L	38_A	0.590	0.65
6_Y	10_G	0.589	0.65
118_I	150_A	0.588	0.65
244_V	301_E	0.587	0.65
81_A	125_A	0.586	0.64
175_S	202_E	0.586	0.64
246_N	249_D	0.584	0.64
27_I	119_V	0.584	0.64
75_V	121_G	0.583	0.64
157_L	160_G	0.580	0.64
235_L	239_T	0.578	0.63
61_T	137_M	0.576	0.63
239_T	305_V	0.574	0.63
189_I	203_L	0.574	0.63
281_V	292_K	0.573	0.63
187_K	190_E	0.573	0.63
180_N	229_G	0.573	0.63
27_I	38_A	0.571	0.63
75_V	140_V	0.570	0.62
79_C	106_P	0.570	0.62
88_I	215_L	0.569	0.62
71_I	74_P	0.568	0.62
110_V	144_F	0.567	0.62
55_H	83_N	0.566	0.62
5_E	262_V	0.564	0.62
177_I	203_L	0.564	0.62
46_K	51_N	0.563	0.61
110_V	113_E	0.562	0.61
221_I	292_K	0.561	0.61
254_F	261_G	0.561	0.61
252_Q	255_K	0.560	0.61
193_K	196_L	0.560	0.61
49_S	155_D	0.557	0.61
34_T	51_N	0.554	0.60
134_T	137_M	0.553	0.60
54_M	149_T	0.553	0.60
27_I	31_Y	0.552	0.60
48_G	153_V	0.552	0.60
244_V	247_M	0.551	0.60
63_T	141_I	0.551	0.60
69_T	196_L	0.551	0.60
292_K	295_G	0.551	0.60
168_Y	171_G	0.551	0.60
84_V	125_A	0.550	0.60
217_V	296_Y	0.550	0.60
19_Y	273_M	0.548	0.59
189_I	199_Y	0.548	0.59
81_A	206_P	0.547	0.59
257_I	267_M	0.547	0.59
177_I	202_E	0.547	0.59
83_N	233_S	0.545	0.59
158_K	277_I	0.544	0.59
23_I	26_I	0.543	0.59
51_N	153_V	0.540	0.58
42_S	87_L	0.540	0.58
189_I	260_A	0.538	0.58
77_I	81_A	0.537	0.58
287_K	290_K	0.536	0.58
13_L	111_V	0.534	0.57
106_P	146_L	0.534	0.57
171_G	248_P	0.534	0.57
208_K	298_T	0.533	0.57
165_P	306_Y	0.532	0.57
115_I	118_I	0.529	0.57
185_V	188_L	0.528	0.57
67_L	144_F	0.528	0.57
200_K	204_L	0.527	0.56
89_C	248_P	0.527	0.56
177_I	251_P	0.526	0.56
247_M	302_L	0.526	0.56
242_K	305_V	0.525	0.56
103_L	110_V	0.524	0.56
164_R	220_M	0.523	0.56
88_I	218_M	0.523	0.56
30_T	119_V	0.522	0.56
106_P	136_I	0.522	0.56
57_D	61_T	0.522	0.56
101_I	143_G	0.521	0.56
65_L	177_I	0.521	0.56
57_D	180_N	0.521	0.56
171_G	278_V	0.520	0.55
32_K	127_V	0.519	0.55
54_M	98_V	0.519	0.55
150_A	179_A	0.516	0.55
23_I	106_P	0.513	0.54
199_Y	253_I	0.513	0.54
81_A	211_V	0.513	0.54
306_Y	309_N	0.512	0.54
47_I	155_D	0.511	0.54
82_M	206_P	0.511	0.54
250_P	267_M	0.509	0.54
256_T	273_M	0.509	0.54
25_Q	112_N	0.508	0.54
125_A	177_I	0.507	0.54
25_Q	28_S	0.507	0.54
106_P	139_D	0.507	0.54
228_T	237_R	0.507	0.54
177_I	254_F	0.507	0.54
246_N	250_P	0.506	0.53
108_D	111_V	0.505	0.53
222_K	280_F	0.504	0.53
41_Y	234_K	0.503	0.53
19_Y	106_P	0.502	0.53
177_I	257_I	0.501	0.53
213_P	297_G	0.500	0.53
238_L	278_V	0.500	0.53

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
3kizA	2	0.9226	100	0.439	Contact Map
3mdoA	2	0.9164	100	0.446	Contact Map
2btuA	2	0.9319	100	0.478	Contact Map
2z01A	2	0.8854	100	0.49	Contact Map
3m84A	2	0.9721	100	0.504	Contact Map
3p4eA	2	0.9257	100	0.506	Contact Map
2v9yA	2	0.8638	100	0.57	Contact Map
3wjpA	2	0.9412	100	0.659	Contact Map
4lgyA	1	0.9164	100	0.675	Contact Map
2zodA	2	0.8762	100	0.675	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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