PUR3 - ECOLI - GREMLIN Contacts

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PUR3 - Phosphoribosylglycinamide formyltransferase

UniProt:	P08179	Sequences: MNIVVLISGNGSNLQAIIDACKTNKIKGTVRAVFSNKADAFGLERARQAGIATHTLIASAFDSREAYDRELIHEIDMYAPDVVVLAGFMRILSPAFVSHYAGRLLNIHPSLLPKYPGLHTHRQALENGDEEHGTSVHFVTDELDGGPVILQAKVPVFAGDSEDDITARVQTQEHAIYPLVISWFADGRLKMHENAAWLDGQRLPPQGYAADE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10799
Length:	212 (188)
Sequences:	10949 (6957)
Seq/√Len:	507.4

ECOLI - PUR3 FMT PURU ARNA
BACSU - PUR3 FMT PURU
HALSA - Q9HNU0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
131_E	153_K	3.647	1.00
94_P	141_D	2.884	1.00
142_E	145_G	2.836	1.00
140_T	145_G	2.730	1.00
160_D	168_R	2.720	1.00
94_P	98_S	2.716	1.00
114_K	129_D	2.500	1.00
115_Y	129_D	2.420	1.00
32_A	78_Y	2.357	1.00
7_I	42_G	2.313	1.00
115_Y	127_N	2.281	1.00
135_S	148_V	2.236	1.00
152_A	179_L	2.224	1.00
136_V	180_V	2.215	1.00
122_R	162_E	2.093	1.00
160_D	164_D	2.087	1.00
76_D	99_H	1.992	1.00
183_W	188_R	1.952	1.00
74_E	77_M	1.838	1.00
63_S	66_A	1.832	1.00
119_H	122_R	1.804	1.00
73_H	77_M	1.795	1.00
138_F	149_I	1.774	1.00
150_L	176_I	1.753	1.00
152_A	172_Q	1.718	1.00
122_R	126_E	1.701	1.00
22_K	60_A	1.699	1.00
152_A	175_A	1.688	1.00
150_L	180_V	1.669	1.00
91_I	143_L	1.664	1.00
157_F	168_R	1.663	1.00
15_Q	19_D	1.647	1.00
70_E	73_H	1.617	1.00
161_S	164_D	1.600	1.00
57_I	60_A	1.544	1.00
138_F	184_F	1.524	1.00
154_V	172_Q	1.518	1.00
41_F	44_E	1.502	1.00
44_E	47_R	1.498	1.00
56_L	60_A	1.497	1.00
157_F	160_D	1.463	1.00
123_Q	126_E	1.461	1.00
82_V	181_I	1.435	1.00
20_A	178_P	1.404	1.00
19_D	56_L	1.400	1.00
28_G	185_A	1.397	1.00
179_L	183_W	1.378	1.00
182_S	186_D	1.369	1.00
131_E	155_P	1.356	1.00
69_R	95_A	1.345	1.00
111_L	133_G	1.327	1.00
135_S	151_Q	1.290	1.00
125_L	165_I	1.289	1.00
52_A	78_Y	1.284	1.00
138_F	191_M	1.282	1.00
19_D	23_T	1.273	1.00
17_I	107_I	1.271	1.00
105_L	149_I	1.271	1.00
24_N	27_K	1.263	1.00
62_D	66_A	1.251	1.00
152_A	176_I	1.251	1.00
5_V	14_L	1.246	1.00
14_L	33_V	1.243	1.00
150_L	183_W	1.236	1.00
80_P	83_V	1.213	1.00
154_V	168_R	1.212	1.00
83_V	104_L	1.197	1.00
97_V	104_L	1.196	1.00
41_F	45_R	1.193	1.00
44_E	48_Q	1.182	1.00
22_K	49_A	1.176	1.00
98_S	141_D	1.169	1.00
72_I	99_H	1.168	1.00
69_R	73_H	1.167	1.00
147_P	193_E	1.151	1.00
150_L	179_L	1.149	1.00
18_I	49_A	1.147	1.00
15_Q	45_R	1.134	1.00
119_H	123_Q	1.125	1.00
54_H	74_E	1.114	1.00
74_E	78_Y	1.112	1.00
72_I	76_D	1.111	1.00
151_Q	192_H	1.102	1.00
162_E	166_T	1.098	1.00
27_K	182_S	1.092	1.00
147_P	191_M	1.082	1.00
184_F	189_L	1.065	1.00
17_I	181_I	1.059	1.00
123_Q	127_N	1.055	1.00
62_D	65_E	1.051	1.00
43_L	53_T	1.051	1.00
148_V	151_Q	1.047	1.00
31_R	78_Y	1.045	1.00
149_I	191_M	1.038	1.00
55_T	58_A	1.036	1.00
20_A	175_A	1.026	1.00
120_T	123_Q	1.025	1.00
175_A	179_L	1.018	1.00
84_V	181_I	1.015	1.00
136_V	176_I	1.009	1.00
72_I	100_Y	1.000	1.00
32_A	80_P	0.999	1.00
172_Q	175_A	0.998	1.00
111_L	151_Q	0.996	1.00
140_T	147_P	0.994	1.00
132_H	165_I	0.991	1.00
34_F	71_L	0.976	1.00
75_I	80_P	0.968	1.00
28_G	182_S	0.967	1.00
132_H	156_V	0.967	1.00
6_L	80_P	0.966	1.00
166_T	170_Q	0.963	1.00
56_L	59_S	0.962	1.00
21_C	28_G	0.961	1.00
16_A	19_D	0.957	1.00
17_I	177_Y	0.944	1.00
24_N	178_P	0.938	1.00
183_W	189_L	0.922	1.00
121_H	169_V	0.919	1.00
100_Y	104_L	0.916	1.00
18_I	51_I	0.914	1.00
61_F	70_E	0.890	1.00
156_V	160_D	0.886	1.00
100_Y	103_R	0.881	1.00
65_E	95_A	0.880	1.00
107_I	177_Y	0.879	1.00
54_H	58_A	0.878	1.00
73_H	76_D	0.876	1.00
17_I	86_A	0.870	1.00
72_I	95_A	0.860	1.00
124_A	129_D	0.856	1.00
24_N	182_S	0.853	1.00
38_A	41_F	0.852	1.00
33_V	46_A	0.850	1.00
32_A	54_H	0.845	1.00
121_H	166_T	0.844	1.00
64_R	67_Y	0.844	1.00
10_N	41_F	0.844	1.00
64_R	68_D	0.843	1.00
136_V	150_L	0.842	1.00
31_R	80_P	0.842	1.00
41_F	47_R	0.834	1.00
55_T	59_S	0.834	1.00
134_T	172_Q	0.831	1.00
104_L	139_V	0.831	1.00
105_L	184_F	0.819	1.00
105_L	177_Y	0.817	1.00
85_L	139_V	0.817	1.00
50_G	58_A	0.816	1.00
167_A	171_T	0.807	1.00
84_V	177_Y	0.806	1.00
112_L	116_P	0.806	1.00
14_L	18_I	0.805	1.00
10_N	170_Q	0.805	1.00
16_A	170_Q	0.802	1.00
157_F	164_D	0.799	1.00
164_D	168_R	0.798	1.00
72_I	96_F	0.798	1.00
32_A	74_E	0.794	1.00
183_W	186_D	0.791	1.00
22_K	56_L	0.788	1.00
92_L	104_L	0.787	1.00
63_S	67_Y	0.784	1.00
150_L	155_P	0.783	1.00
19_D	49_A	0.783	1.00
82_V	184_F	0.782	1.00
8_S	83_V	0.779	1.00
80_P	99_H	0.778	1.00
182_S	185_A	0.775	1.00
24_N	28_G	0.774	1.00
7_I	35_S	0.768	1.00
34_F	54_H	0.767	1.00
16_A	174_H	0.766	1.00
70_E	74_E	0.766	1.00
176_I	180_V	0.760	1.00
95_A	98_S	0.760	1.00
121_H	124_A	0.759	1.00
65_E	68_D	0.754	1.00
170_Q	174_H	0.751	1.00
20_A	23_T	0.746	1.00
6_L	83_V	0.735	1.00
125_L	162_E	0.733	1.00
124_A	132_H	0.731	1.00
36_N	58_A	0.729	1.00
124_A	156_V	0.725	1.00
134_T	176_I	0.722	1.00
36_N	90_R	0.713	1.00
114_K	131_E	0.709	1.00
130_E	155_P	0.704	1.00
38_A	55_T	0.702	1.00
15_Q	56_L	0.698	1.00
171_T	175_A	0.696	1.00
18_I	30_V	0.696	1.00
5_V	82_V	0.695	1.00
65_E	69_R	0.694	1.00
35_S	51_I	0.682	1.00
66_A	69_R	0.682	1.00
160_D	165_I	0.678	1.00
66_A	71_L	0.672	1.00
154_V	160_D	0.672	1.00
8_S	34_F	0.669	1.00
75_I	83_V	0.666	1.00
97_V	139_V	0.661	1.00
38_A	54_H	0.658	1.00
68_D	93_S	0.658	1.00
15_Q	48_Q	0.656	1.00
107_I	134_T	0.652	1.00
105_L	136_V	0.649	1.00
156_V	165_I	0.647	1.00
13_N	109_P	0.645	1.00
163_D	167_A	0.645	1.00
20_A	24_N	0.644	1.00
56_L	67_Y	0.644	1.00
7_I	17_I	0.633	1.00
10_N	51_I	0.620	1.00
35_S	53_T	0.619	1.00
118_L	123_Q	0.617	1.00
83_V	100_Y	0.612	1.00
172_Q	176_I	0.611	1.00
27_K	186_D	0.610	1.00
35_S	43_L	0.610	1.00
16_A	20_A	0.609	1.00
116_P	145_G	0.607	1.00
54_H	78_Y	0.606	0.99
21_C	30_V	0.603	0.99
15_Q	49_A	0.599	0.99
43_L	55_T	0.599	0.99
17_I	21_C	0.599	0.99
109_P	121_H	0.598	0.99
125_L	156_V	0.595	0.99
36_N	39_D	0.594	0.99
19_D	22_K	0.591	0.99
67_Y	71_L	0.585	0.99
159_G	164_D	0.584	0.99
7_I	14_L	0.583	0.99
6_L	32_A	0.582	0.99
58_A	90_R	0.582	0.99
68_D	71_L	0.582	0.99
130_E	158_A	0.581	0.99
107_I	173_E	0.579	0.99
167_A	170_Q	0.577	0.99
41_F	48_Q	0.576	0.99
67_Y	93_S	0.574	0.99
180_V	183_W	0.574	0.99
11_G	87_G	0.573	0.99
93_S	96_F	0.571	0.99
6_L	75_I	0.571	0.99
154_V	169_V	0.566	0.99
45_R	49_A	0.566	0.99
76_D	100_Y	0.565	0.99
132_H	154_V	0.565	0.99
118_L	143_L	0.562	0.99
40_A	43_L	0.554	0.99
92_L	96_F	0.549	0.99
5_V	30_V	0.547	0.99
75_I	96_F	0.546	0.99
110_S	120_T	0.545	0.99
19_D	59_S	0.545	0.99
111_L	153_K	0.544	0.99
107_I	136_V	0.541	0.99
120_T	132_H	0.540	0.99
69_R	72_I	0.540	0.99
76_D	79_A	0.540	0.99
6_L	34_F	0.535	0.99
18_I	45_R	0.534	0.99
6_L	71_L	0.534	0.99
119_H	162_E	0.533	0.99
149_I	184_F	0.522	0.99
110_S	143_L	0.521	0.98
47_R	50_G	0.517	0.98
10_N	45_R	0.517	0.98
109_P	169_V	0.515	0.98
90_R	93_S	0.512	0.98
116_P	142_E	0.512	0.98
67_Y	88_F	0.510	0.98
121_H	132_H	0.509	0.98
132_H	169_V	0.508	0.98
114_K	127_N	0.508	0.98
93_S	97_V	0.507	0.98
71_L	74_E	0.505	0.98
121_H	162_E	0.501	0.98
35_S	40_A	0.500	0.98

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
3av3A	1	0.8774	100	0.127	Contact Map
3tqqA	1	0.9387	100	0.138	Contact Map
4wkgA	5	0.9434	100	0.144	Contact Map
1jkxA	2	0.9858	100	0.144	Contact Map
4ew1A	2	0.967	100	0.145	Contact Map
4ds3A	2	0.8962	100	0.146	Contact Map
2blnA	1	0.9292	100	0.147	Contact Map
3q0iA	1	0.9292	100	0.149	Contact Map
4iqfA	1	0.9575	100	0.151	Contact Map
1fmtA	1	0.9481	100	0.153	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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