PURU - ECOLI - GREMLIN Contacts

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PURU - Formyltetrahydrofolate deformylase

UniProt:	P37051	Sequences: MHSLQRKVLRTICPDQKGLIARITNICYKHELNIVQNNEFVDHRTGRFFMRTELEGIFNDSTLLADLDSALPEGSVRELNPAGRRRIVILVTKEAHCLGDLLMKANYGGLDVEIAAVIGNHDTLRSLVERFDIPFELVSHEGLTRNEHDQKMADAIDAYQPDYVVLAKYMRVLTPEFVARFPNKIINIHHSFLPAFIGARPYHQAYERGVKIIGATAHYVNDNLDEGPIIMQDVIHVDHTYTAEDMMRAGRDVEKNVLSRALYKVLAQRVFVYGNRTIIL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11819
Length:	280 (275)
Sequences:	2341 (1254)
Seq/√Len:	75.6

ECOLI - PURU
BACSU - 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
219_Y	265_V	5.203	1.00
125_R	129_E	5.063	1.00
151_K	154_D	5.046	1.00
122_D	125_R	4.544	1.00
117_V	128_V	3.853	1.00
231_M	236_H	3.772	1.00
138_V	148_H	3.685	1.00
200_R	203_H	3.418	1.00
87_I	112_V	3.164	1.00
26_I	67_L	3.120	1.00
27_C	32_L	3.089	1.00
141_E	144_T	2.994	1.00
175_P	222_D	2.810	1.00
85_R	268_Q	2.789	1.00
112_V	266_L	2.732	1.00
88_V	116_A	2.639	1.00
86_R	113_E	2.618	1.00
153_A	180_R	2.554	1.00
241_Y	249_A	2.524	1.00
233_D	257_V	2.433	1.00
91_V	119_G	2.377	1.00
157_D	180_R	2.352	1.00
60_D	64_L	2.316	1.00
154_D	158_A	2.305	1.00
115_A	161_P	2.295	1.00
84_R	113_E	2.205	1.00
223_N	226_E	2.190	1.00
86_R	160_Q	2.040	1.00
181_F	185_I	2.036	1.00
15_D	33_N	1.986	1.00
90_L	152_M	1.954	1.00
88_V	161_P	1.948	1.00
149_D	174_T	1.883	1.00
100_D	104_K	1.867	1.00
101_L	262_L	1.859	1.00
116_A	159_Y	1.822	1.00
30_H	66_D	1.802	1.00
95_A	124_L	1.797	1.00
217_A	261_A	1.793	1.00
144_T	147_E	1.731	1.00
166_L	220_V	1.729	1.00
15_D	41_V	1.720	1.00
80_N	268_Q	1.717	1.00
182_P	185_I	1.714	1.00
118_I	152_M	1.710	1.00
156_I	164_V	1.660	1.00
6_R	53_E	1.651	1.00
122_D	137_L	1.638	1.00
26_I	66_D	1.596	0.99
253_V	257_V	1.596	0.99
183_N	272_V	1.595	0.99
126_S	129_E	1.586	0.99
163_Y	262_L	1.573	0.99
36_Q	53_E	1.536	0.99
104_K	259_S	1.500	0.99
21_A	25_N	1.475	0.99
93_K	123_T	1.452	0.99
243_A	247_M	1.448	0.99
153_A	181_F	1.445	0.99
12_I	76_V	1.443	0.99
273_Y	278_I	1.442	0.99
235_I	253_V	1.430	0.99
136_E	159_Y	1.420	0.99
116_A	161_P	1.418	0.99
25_N	29_K	1.398	0.99
176_E	179_A	1.394	0.99
87_I	163_Y	1.385	0.99
86_R	115_A	1.380	0.98
145_R	174_T	1.373	0.98
243_A	246_M	1.363	0.98
23_I	50_M	1.353	0.98
59_N	62_T	1.349	0.98
150_Q	154_D	1.344	0.98
146_N	176_E	1.322	0.98
8_V	268_Q	1.309	0.98
146_N	150_Q	1.309	0.98
88_V	156_I	1.307	0.98
203_H	207_E	1.286	0.98
22_R	73_E	1.286	0.98
99_G	103_M	1.284	0.98
238_D	241_Y	1.278	0.98
242_T	245_D	1.277	0.97
263_Y	267_A	1.273	0.97
95_A	103_M	1.257	0.97
186_I	230_I	1.239	0.97
202_Y	250_G	1.232	0.97
140_H	145_R	1.228	0.97
203_H	247_M	1.216	0.97
62_T	65_A	1.195	0.96
175_P	179_A	1.189	0.96
145_R	171_R	1.164	0.96
140_H	148_H	1.162	0.96
179_A	182_P	1.157	0.95
16_Q	73_E	1.157	0.95
147_E	151_K	1.155	0.95
68_D	72_P	1.146	0.95
138_V	151_K	1.139	0.95
127_L	131_F	1.136	0.95
138_V	155_A	1.121	0.95
84_R	111_D	1.110	0.94
136_E	155_A	1.107	0.94
109_G	251_R	1.106	0.94
9_L	79_L	1.102	0.94
88_V	118_I	1.101	0.94
24_T	37_N	1.092	0.94
112_V	115_A	1.087	0.94
126_S	132_D	1.085	0.94
10_R	78_E	1.085	0.94
165_V	258_L	1.084	0.94
204_Q	226_E	1.081	0.94
140_H	144_T	1.080	0.94
100_D	252_D	1.079	0.93
197_I	226_E	1.076	0.93
100_D	259_S	1.075	0.93
178_V	185_I	1.066	0.93
85_R	162_D	1.066	0.93
90_L	164_V	1.064	0.93
67_L	77_R	1.054	0.93
44_R	207_E	1.047	0.92
39_E	52_T	1.033	0.92
21_A	28_Y	1.028	0.92
60_D	81_P	1.021	0.91
32_L	56_G	1.018	0.91
153_A	176_E	1.009	0.91
233_D	260_R	1.007	0.91
90_L	118_I	1.000	0.91
69_S	73_E	0.999	0.91
105_A	114_I	0.997	0.90
23_I	75_S	0.995	0.90
26_I	30_H	0.986	0.90
95_A	99_G	0.983	0.90
271_F	280_L	0.979	0.90
265_V	270_V	0.974	0.89
85_R	266_L	0.973	0.89
99_G	127_L	0.966	0.89
122_D	129_E	0.965	0.89
150_Q	176_E	0.963	0.89
92_T	119_G	0.952	0.88
7_K	54_L	0.950	0.88
164_V	181_F	0.945	0.88
65_A	68_D	0.942	0.88
35_V	55_E	0.936	0.87
33_N	55_E	0.934	0.87
87_I	115_A	0.929	0.87
33_N	39_E	0.927	0.87
111_D	266_L	0.919	0.86
37_N	52_T	0.911	0.86
20_I	24_T	0.905	0.86
119_G	169_Y	0.896	0.85
231_M	260_R	0.890	0.85
16_Q	22_R	0.884	0.84
6_R	35_V	0.884	0.84
115_A	159_Y	0.884	0.84
245_D	248_R	0.873	0.84
69_S	72_P	0.871	0.83
248_R	263_Y	0.870	0.83
88_V	155_A	0.866	0.83
196_F	210_V	0.865	0.83
16_Q	74_G	0.864	0.83
104_K	252_D	0.863	0.83
141_E	147_E	0.861	0.83
212_I	236_H	0.857	0.82
95_A	106_N	0.853	0.82
19_L	23_I	0.851	0.82
235_I	249_A	0.850	0.82
153_A	157_D	0.848	0.82
47_R	273_Y	0.842	0.81
119_G	133_I	0.836	0.81
19_L	39_E	0.835	0.81
71_L	77_R	0.835	0.81
66_D	69_S	0.833	0.81
80_N	83_G	0.830	0.80
179_A	222_D	0.829	0.80
64_L	77_R	0.827	0.80
115_A	118_I	0.825	0.80
47_R	76_V	0.815	0.79
17_K	28_Y	0.813	0.79
233_D	236_H	0.813	0.79
104_K	109_G	0.813	0.79
154_D	157_D	0.812	0.79
149_D	153_A	0.812	0.79
173_L	177_F	0.805	0.78
62_T	66_D	0.804	0.78
152_M	177_F	0.802	0.78
89_I	114_I	0.801	0.78
60_D	79_L	0.799	0.78
61_S	64_L	0.799	0.78
19_L	33_N	0.798	0.78
15_D	37_N	0.797	0.78
36_Q	240_T	0.797	0.78
87_I	266_L	0.797	0.78
9_L	54_L	0.797	0.78
178_V	222_D	0.789	0.77
27_C	54_L	0.788	0.77
67_L	79_L	0.788	0.77
124_L	135_F	0.787	0.77
99_G	255_K	0.784	0.76
252_D	256_N	0.781	0.76
128_V	133_I	0.775	0.76
152_M	156_I	0.770	0.75
17_K	33_N	0.767	0.75
178_V	184_K	0.762	0.74
12_I	47_R	0.761	0.74
148_H	152_M	0.761	0.74
200_R	247_M	0.755	0.74
105_A	113_E	0.754	0.74
103_M	131_F	0.751	0.73
87_I	162_D	0.749	0.73
29_K	66_D	0.745	0.73
174_T	261_A	0.739	0.72
60_D	82_A	0.737	0.72
116_A	155_A	0.735	0.72
91_V	98_L	0.731	0.71
205_A	250_G	0.727	0.71
24_T	28_Y	0.726	0.71
7_K	60_D	0.724	0.70
156_I	161_P	0.724	0.70
140_H	169_Y	0.721	0.70
233_D	253_V	0.719	0.70
64_L	81_P	0.719	0.70
86_R	161_P	0.719	0.70
176_E	180_R	0.717	0.70
11_T	50_M	0.716	0.70
116_A	136_E	0.715	0.70
212_I	231_M	0.715	0.70
149_D	261_A	0.711	0.69
78_E	268_Q	0.709	0.69
94_E	204_Q	0.707	0.69
191_S	220_V	0.706	0.69
237_V	241_Y	0.706	0.69
202_Y	205_A	0.705	0.68
33_N	185_I	0.703	0.68
27_C	63_L	0.702	0.68
13_C	75_S	0.702	0.68
140_H	171_R	0.701	0.68
173_L	178_V	0.697	0.68
117_V	129_E	0.692	0.67
26_I	70_A	0.692	0.67
163_Y	266_L	0.691	0.67
94_E	124_L	0.689	0.67
95_A	109_G	0.687	0.66
206_Y	276_R	0.686	0.66
19_L	41_V	0.686	0.66
26_I	77_R	0.686	0.66
20_I	34_I	0.683	0.66
213_I	221_N	0.682	0.66
105_A	133_I	0.681	0.66
197_I	223_N	0.679	0.66
17_K	31_E	0.678	0.65
11_T	23_I	0.671	0.65
190_H	215_A	0.670	0.65
150_Q	160_Q	0.670	0.65
238_D	249_A	0.669	0.64
207_E	275_N	0.668	0.64
98_L	117_V	0.666	0.64
129_E	132_D	0.666	0.64
203_H	243_A	0.664	0.64
117_V	132_D	0.660	0.63
178_V	183_N	0.660	0.63
102_L	133_I	0.659	0.63
138_V	152_M	0.657	0.63
22_R	25_N	0.656	0.63
240_T	279_I	0.655	0.63
17_K	57_I	0.653	0.63
89_I	101_L	0.652	0.62
256_N	260_R	0.651	0.62
241_Y	245_D	0.650	0.62
182_P	272_V	0.650	0.62
87_I	165_V	0.649	0.62
204_Q	207_E	0.647	0.62
177_F	181_F	0.646	0.62
233_D	256_N	0.645	0.62
65_A	69_S	0.645	0.62
54_L	177_F	0.644	0.61
190_H	201_P	0.643	0.61
35_V	249_A	0.643	0.61
15_D	19_L	0.640	0.61
149_D	173_L	0.638	0.61
70_A	73_E	0.637	0.61
42_D	273_Y	0.636	0.61
124_L	127_L	0.635	0.60
44_R	206_Y	0.634	0.60
189_H	198_G	0.634	0.60
189_H	225_D	0.632	0.60
164_V	185_I	0.631	0.60
12_I	37_N	0.627	0.59
159_Y	162_D	0.623	0.59
174_T	177_F	0.623	0.59
87_I	114_I	0.623	0.59
42_D	45_T	0.623	0.59
6_R	55_E	0.621	0.59
92_T	168_K	0.620	0.59
67_L	71_L	0.617	0.58
14_P	74_G	0.613	0.58
236_H	264_K	0.612	0.58
22_R	28_Y	0.612	0.58
142_G	147_E	0.611	0.57
39_E	50_M	0.610	0.57
22_R	29_K	0.607	0.57
151_K	158_A	0.606	0.57
94_E	247_M	0.606	0.57
27_C	52_T	0.604	0.57
149_D	217_A	0.604	0.57
155_A	158_A	0.599	0.56
19_L	37_N	0.598	0.56
35_V	43_H	0.598	0.56
28_Y	276_R	0.596	0.56
111_D	267_A	0.593	0.55
7_K	81_P	0.592	0.55
262_L	265_V	0.590	0.55
12_I	273_Y	0.587	0.54
9_L	77_R	0.587	0.54
266_L	272_V	0.587	0.54
134_P	159_Y	0.585	0.54
52_T	217_A	0.583	0.54
99_G	107_Y	0.581	0.54
229_I	232_Q	0.580	0.54
95_A	127_L	0.580	0.54
85_R	134_P	0.579	0.53
212_I	257_V	0.577	0.53
112_V	163_Y	0.576	0.53
117_V	130_R	0.576	0.53
192_F	208_R	0.576	0.53
156_I	181_F	0.574	0.53
140_H	174_T	0.573	0.53
123_T	128_V	0.572	0.53
244_E	251_R	0.570	0.52
87_I	262_L	0.569	0.52
64_L	68_D	0.569	0.52
165_V	262_L	0.568	0.52
45_T	278_I	0.567	0.52
83_G	157_D	0.566	0.52
128_V	132_D	0.566	0.52
173_L	185_I	0.565	0.52
99_G	131_F	0.564	0.52
206_Y	213_I	0.564	0.52
62_T	68_D	0.563	0.51
61_S	160_Q	0.563	0.51
59_N	70_A	0.561	0.51
33_N	41_V	0.561	0.51
106_N	131_F	0.559	0.51
118_I	155_A	0.558	0.51
115_A	133_I	0.555	0.50
127_L	142_G	0.554	0.50
136_E	158_A	0.553	0.50
64_L	73_E	0.553	0.50
142_G	160_Q	0.553	0.50
86_R	158_A	0.552	0.50
217_A	276_R	0.551	0.50
199_A	204_Q	0.550	0.50
181_F	184_K	0.550	0.50
114_I	133_I	0.550	0.50
84_R	87_I	0.548	0.50
75_S	168_K	0.547	0.49
147_E	150_Q	0.547	0.49
172_V	272_V	0.544	0.49
104_K	199_A	0.543	0.49
117_V	133_I	0.543	0.49
174_T	217_A	0.543	0.49
84_R	164_V	0.542	0.49
37_N	41_V	0.540	0.49
25_N	65_A	0.540	0.49
33_N	195_A	0.540	0.49
141_E	146_N	0.539	0.48
197_I	220_V	0.539	0.48
155_A	159_Y	0.535	0.48
111_D	117_V	0.535	0.48
175_P	237_V	0.535	0.48
192_F	257_V	0.532	0.48
154_D	180_R	0.531	0.47
71_L	97_C	0.531	0.47
185_I	220_V	0.530	0.47
23_I	278_I	0.529	0.47
90_L	156_I	0.529	0.47
126_S	130_R	0.528	0.47
156_I	180_R	0.528	0.47
201_P	215_A	0.528	0.47
54_L	152_M	0.527	0.47
38_N	280_L	0.527	0.47
21_A	24_T	0.526	0.47
208_R	211_K	0.525	0.47
6_R	117_V	0.524	0.47
11_T	52_T	0.523	0.46
94_E	251_R	0.521	0.46
119_G	223_N	0.521	0.46
37_N	48_F	0.521	0.46
190_H	239_H	0.518	0.46
135_F	221_N	0.518	0.46
16_Q	35_V	0.517	0.46
10_R	271_F	0.517	0.46
185_I	195_A	0.516	0.46
157_D	160_Q	0.514	0.45
121_H	140_H	0.514	0.45
204_Q	247_M	0.512	0.45
105_A	119_G	0.510	0.45
21_A	103_M	0.509	0.45
10_R	36_Q	0.509	0.45
132_D	136_E	0.508	0.45
197_I	204_Q	0.508	0.45
157_D	181_F	0.507	0.44
153_A	156_I	0.505	0.44
109_G	263_Y	0.505	0.44
24_T	212_I	0.505	0.44
192_F	234_V	0.505	0.44
182_P	222_D	0.504	0.44
170_M	218_H	0.504	0.44
178_V	182_P	0.504	0.44
36_Q	40_F	0.502	0.44
128_V	185_I	0.500	0.44
102_L	131_F	0.500	0.44
137_L	260_R	0.500	0.44
131_F	195_A	0.500	0.44

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
3nrbA	4	0.9929	100	0.251	Contact Map
3louA	3	0.9893	100	0.253	Contact Map
3obiA	4	0.9893	100	0.259	Contact Map
3n0vA	4	0.9857	100	0.267	Contact Map
3o1lA	3	1	100	0.268	Contact Map
3w7bA	3	0.9893	100	0.273	Contact Map
1jkxA	2	0.7	100	0.504	Contact Map
3tqrA	2	0.7	100	0.507	Contact Map
2ywrA	2	0.7036	100	0.511	Contact Map
3aufA	2	0.7393	100	0.511	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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