PURQ - HALSA - GREMLIN Contacts

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PURQ - Phosphoribosylformylglycinamidine synthase subunit PurQ

UniProt:	Q9HNU2	Sequences: MTVAVVRFGGSNCDRDAVRALAHLGVDAAVAWHDDGLPADTDGVVVPGGFSYGDYLRAGAMAAQSPVVAEVRALAADGVPVLGVCNGAQIGCEAGLAPGAFTTNASARFQCERVHLRVENATTPWTAAYSEGDVLEIPIAHGEGRFEIDDDAYADLVADDRVLFRYCNADGEVTEAANPNGSTGAVAGVTGDRDHVAVMMPHPERATLPALGATDGQGILGAFA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	224 (208)
Sequences:	3314 (1624)
Seq/√Len:	112.6

ECOLI - PUR4
BACSU - PURQ
HALSA - PURQ
SULSO - PURQ

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
157_V	184_G	3.849	1.00
17_A	84_V	3.301	1.00
105_A	145_R	2.977	1.00
191_G	195_H	2.795	1.00
133_D	218_G	2.727	1.00
149_D	152_A	2.714	1.00
148_I	152_A	2.608	1.00
155_D	192_D	2.598	1.00
43_G	80_P	2.576	1.00
154_A	158_A	2.450	1.00
119_E	165_R	2.400	1.00
17_A	45_V	2.387	1.00
157_V	165_R	2.321	1.00
81_V	196_V	2.245	1.00
92_C	101_F	2.239	1.00
117_R	134_V	2.176	1.00
21_L	45_V	2.148	1.00
154_A	184_G	1.986	1.00
22_A	27_D	1.980	1.00
6_V	46_V	1.976	1.00
4_A	31_A	1.963	1.00
157_V	162_V	1.927	1.00
20_A	207_T	1.914	1.00
163_L	190_T	1.888	1.00
36_G	67_V	1.879	1.00
29_A	41_T	1.839	1.00
13_C	205_R	1.824	1.00
73_A	76_A	1.815	1.00
80_P	124_P	1.812	1.00
74_L	79_V	1.800	1.00
60_A	93_E	1.794	1.00
115_H	134_V	1.735	1.00
116_L	135_L	1.732	1.00
3_V	21_L	1.719	1.00
70_E	73_A	1.694	1.00
146_F	189_V	1.651	1.00
164_F	188_G	1.631	1.00
155_D	158_A	1.621	1.00
113_R	136_E	1.608	1.00
129_Y	135_L	1.572	1.00
3_V	43_G	1.565	1.00
7_R	30_V	1.542	1.00
123_T	163_L	1.539	1.00
18_V	30_V	1.536	1.00
118_V	164_F	1.531	1.00
110_Q	139_I	1.514	1.00
156_L	189_V	1.496	1.00
21_L	43_G	1.475	1.00
11_S	47_P	1.437	1.00
3_V	26_V	1.437	1.00
72_R	76_A	1.424	1.00
134_V	167_C	1.415	1.00
73_A	77_D	1.414	1.00
166_Y	187_A	1.396	1.00
139_I	179_P	1.391	1.00
120_N	131_E	1.387	1.00
156_L	162_V	1.354	1.00
18_V	22_A	1.353	1.00
2_T	27_D	1.347	1.00
162_V	186_V	1.343	1.00
117_R	167_C	1.341	1.00
150_D	154_A	1.337	1.00
13_C	140_A	1.309	1.00
115_H	167_C	1.299	0.99
45_V	82_L	1.296	0.99
102_T	147_E	1.292	0.99
159_D	192_D	1.291	0.99
140_A	205_R	1.284	0.99
39_A	73_A	1.279	0.99
88_A	198_V	1.278	0.99
161_R	190_T	1.270	0.99
117_R	165_R	1.252	0.99
178_N	185_A	1.245	0.99
163_L	197_A	1.234	0.99
2_T	40_D	1.229	0.99
179_P	185_A	1.222	0.99
148_I	153_Y	1.213	0.99
207_T	211_L	1.213	0.99
188_G	199_M	1.206	0.99
191_G	196_V	1.201	0.99
21_L	26_V	1.201	0.99
106_S	110_Q	1.199	0.99
109_F	140_A	1.199	0.99
161_R	192_D	1.196	0.99
190_T	194_D	1.182	0.99
153_Y	157_V	1.172	0.99
115_H	136_E	1.164	0.99
123_T	190_T	1.158	0.99
19_R	23_H	1.155	0.99
138_P	206_A	1.150	0.99
22_A	28_A	1.136	0.99
103_T	107_A	1.132	0.99
151_D	154_A	1.123	0.98
168_N	177_A	1.114	0.98
155_D	159_D	1.101	0.98
156_L	161_R	1.099	0.98
75_A	96_L	1.092	0.98
93_E	100_A	1.084	0.98
151_D	155_D	1.081	0.98
50_F	85_C	1.071	0.98
92_C	97_A	1.070	0.98
120_N	160_D	1.070	0.98
65_S	69_A	1.069	0.98
44_V	81_V	1.068	0.98
39_A	70_E	1.065	0.98
38_P	44_V	1.046	0.98
126_T	164_F	1.042	0.98
114_V	139_I	1.041	0.97
102_T	145_R	1.038	0.97
88_A	97_A	1.029	0.97
23_H	207_T	1.018	0.97
42_D	78_G	1.013	0.97
4_A	41_T	1.005	0.97
58_A	143_E	0.998	0.97
164_F	197_A	0.995	0.97
13_C	137_I	0.994	0.97
33_H	65_S	0.986	0.97
14_D	30_V	0.979	0.96
177_A	185_A	0.969	0.96
6_V	71_V	0.957	0.96
19_R	207_T	0.953	0.96
81_V	91_G	0.953	0.96
153_Y	183_T	0.952	0.96
44_V	79_V	0.950	0.96
150_D	183_T	0.948	0.96
162_V	165_R	0.948	0.96
74_L	77_D	0.947	0.96
120_N	123_T	0.946	0.96
190_T	197_A	0.941	0.95
209_P	214_T	0.931	0.95
120_N	194_D	0.927	0.95
153_Y	184_G	0.923	0.95
5_V	21_L	0.913	0.95
34_D	65_S	0.905	0.94
150_D	184_G	0.893	0.94
59_G	63_A	0.887	0.94
151_D	158_A	0.884	0.94
116_L	203_P	0.883	0.94
58_A	101_F	0.871	0.93
12_N	85_C	0.866	0.93
113_R	213_A	0.864	0.93
114_V	179_P	0.859	0.93
11_S	14_D	0.857	0.93
44_V	74_L	0.857	0.93
97_A	198_V	0.848	0.92
165_R	184_G	0.844	0.92
118_V	129_Y	0.842	0.92
5_V	47_P	0.839	0.92
147_E	183_T	0.835	0.92
113_R	212_G	0.833	0.92
58_A	103_T	0.825	0.91
91_G	196_V	0.814	0.91
97_A	196_V	0.814	0.91
126_T	163_L	0.809	0.90
88_A	101_F	0.806	0.90
112_E	139_I	0.806	0.90
103_T	108_R	0.806	0.90
23_H	208_L	0.801	0.90
7_R	18_V	0.800	0.90
140_A	204_E	0.799	0.90
186_V	189_V	0.796	0.90
129_Y	133_D	0.790	0.89
148_I	189_V	0.782	0.89
18_V	28_A	0.777	0.88
121_A	131_E	0.775	0.88
188_G	198_V	0.771	0.88
156_L	160_D	0.770	0.88
103_T	142_G	0.768	0.88
128_A	131_E	0.765	0.88
152_A	155_D	0.758	0.87
2_T	29_A	0.755	0.87
154_A	157_V	0.749	0.87
74_L	80_P	0.746	0.86
71_V	75_A	0.744	0.86
5_V	18_V	0.741	0.86
189_V	198_V	0.741	0.86
45_V	84_V	0.735	0.86
68_V	94_A	0.735	0.86
122_T	160_D	0.733	0.85
29_A	40_D	0.733	0.85
123_T	126_T	0.727	0.85
13_C	211_L	0.726	0.85
68_V	72_R	0.722	0.84
8_F	62_A	0.721	0.84
85_C	180_N	0.721	0.84
101_F	146_F	0.710	0.83
123_T	194_D	0.707	0.83
167_C	185_A	0.707	0.83
69_A	72_R	0.706	0.83
209_P	215_D	0.706	0.83
47_P	111_C	0.705	0.83
60_A	100_A	0.703	0.83
68_V	71_V	0.697	0.82
85_C	89_Q	0.690	0.82
69_A	73_A	0.688	0.82
24_L	217_Q	0.684	0.81
160_D	194_D	0.678	0.81
162_V	184_G	0.678	0.81
101_F	198_V	0.673	0.80
86_N	89_Q	0.671	0.80
59_G	90_I	0.669	0.80
76_A	193_R	0.667	0.80
141_H	180_N	0.663	0.79
50_F	180_N	0.662	0.79
168_N	179_P	0.661	0.79
163_L	194_D	0.661	0.79
12_N	140_A	0.660	0.79
20_A	25_G	0.659	0.79
75_A	81_V	0.655	0.78
178_N	182_S	0.654	0.78
8_F	33_H	0.653	0.78
67_V	70_E	0.652	0.78
212_G	215_D	0.650	0.78
19_R	22_A	0.649	0.78
37_L	67_V	0.645	0.77
161_R	191_G	0.643	0.77
40_D	70_E	0.643	0.77
21_L	28_A	0.642	0.77
50_F	141_H	0.638	0.76
208_L	211_L	0.637	0.76
154_A	183_T	0.634	0.76
153_Y	186_V	0.633	0.76
85_C	143_E	0.633	0.76
119_E	132_G	0.631	0.76
78_G	195_H	0.629	0.75
15_R	30_V	0.624	0.75
12_N	141_H	0.623	0.75
116_L	187_A	0.622	0.75
157_V	160_D	0.620	0.74
50_F	202_H	0.619	0.74
36_G	70_E	0.614	0.74
43_G	125_W	0.612	0.73
57_R	93_E	0.612	0.73
111_C	140_A	0.609	0.73
153_Y	162_V	0.609	0.73
8_F	11_S	0.605	0.73
63_A	72_R	0.602	0.72
7_R	35_D	0.599	0.72
206_A	212_G	0.597	0.72
33_H	52_Y	0.597	0.72
200_M	204_E	0.596	0.71
3_V	45_V	0.595	0.71
109_F	204_E	0.594	0.71
29_A	35_D	0.593	0.71
213_A	216_G	0.588	0.70
135_L	138_P	0.588	0.70
85_C	141_H	0.587	0.70
91_G	198_V	0.585	0.70
54_D	85_C	0.580	0.69
137_I	205_R	0.577	0.69
5_V	28_A	0.574	0.69
118_V	132_G	0.573	0.69
124_P	127_A	0.572	0.68
43_G	82_L	0.570	0.68
194_D	197_A	0.567	0.68
96_L	196_V	0.562	0.67
59_G	196_V	0.561	0.67
64_Q	67_V	0.560	0.67
12_N	50_F	0.560	0.67
67_V	71_V	0.556	0.66
164_F	199_M	0.556	0.66
148_I	184_G	0.556	0.66
114_V	168_N	0.556	0.66
12_N	205_R	0.554	0.66
146_F	183_T	0.554	0.66
85_C	202_H	0.553	0.66
62_A	90_I	0.550	0.65
118_V	135_L	0.550	0.65
148_I	183_T	0.550	0.65
80_P	195_H	0.549	0.65
115_H	177_A	0.548	0.65
3_V	28_A	0.545	0.65
206_A	213_A	0.545	0.65
48_G	89_Q	0.544	0.65
110_Q	179_P	0.544	0.65
46_V	142_G	0.543	0.64
155_D	161_R	0.542	0.64
3_V	80_P	0.542	0.64
118_V	133_D	0.542	0.64
19_R	208_L	0.541	0.64
51_S	180_N	0.540	0.64
141_H	202_H	0.538	0.64
8_F	68_V	0.538	0.64
14_D	111_C	0.536	0.63
13_C	17_A	0.534	0.63
126_T	197_A	0.532	0.63
113_R	137_I	0.531	0.63
113_R	211_L	0.530	0.63
4_A	29_A	0.530	0.63
4_A	30_V	0.529	0.62
125_W	197_A	0.529	0.62
93_E	96_L	0.527	0.62
26_V	80_P	0.526	0.62
82_L	197_A	0.525	0.62
141_H	200_M	0.525	0.62
55_Y	216_G	0.522	0.61
141_H	204_E	0.522	0.61
25_G	28_A	0.517	0.61
180_N	202_H	0.515	0.60
24_L	28_A	0.513	0.60
121_A	132_G	0.513	0.60
50_F	54_D	0.512	0.60
50_F	200_M	0.511	0.60
46_V	71_V	0.508	0.59
46_V	91_G	0.507	0.59
57_R	62_A	0.507	0.59
86_N	200_M	0.506	0.59
76_A	79_V	0.506	0.59
114_V	136_E	0.503	0.59
180_N	200_M	0.503	0.59
121_A	124_P	0.501	0.58
85_C	200_M	0.500	0.58

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
4lgyA	1	0.9955	100	0.428	Contact Map
3d54D	1	0.9196	100	0.627	Contact Map
1l9xA	1	0.9196	99.9	0.754	Contact Map
2vxoA	2	0.7812	99.8	0.765	Contact Map
2w7tA	1	0.875	99.8	0.766	Contact Map
2vpiA	1	0.7545	99.8	0.769	Contact Map
1qdlB	2	0.817	99.8	0.773	Contact Map
1wl8A	1	0.7946	99.8	0.773	Contact Map
2ywbA	4	0.7768	99.8	0.774	Contact Map
3fijA	4	0.8304	99.8	0.775	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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