OPENSEQ.org - DYR - ECOLI GREMLIN

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DYR - Dihydrofolate reductase

UniProt:	P0ABQ4	Sequence MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR	Download Alignment We filter this alignment to remove sites that have > 75% gaps before running GREMLIN.
EcoGene:	EG10326
Length:	159 (158)
Sequences:	1895
Seq/Len:	11.99

DYR
Paralog alert: 0.09 [within 20: 0.01] - ratio of genomes with paralogs

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Scaled Score	Prob
13_V	121_G	3.515	1.00
58_K	73_T	3.42	1.00
36_L	56_G	3.313	1.00
10_V	116_D	3.295	1.00
135_S	138_S	2.612	1.00
78_V	103_F	2.312	1.00
8_L	12_R	2.277	1.00
30_W	34_N	2.251	1.00
4_L	107_A	2.22	1.00
135_S	154_E	2.101	1.00
40_V	59_N	2.092	1.00
38_K	92_M	2.077	1.00
110_L	128_Y	2.074	1.00
9_A	13_V	2.055	1.00
41_I	91_I	2.042	1.00
98_R	101_E	1.961	1.00
3_S	111_Y	1.949	1.00
114_H	154_E	1.909	1.00
64_S	98_R	1.865	1.00
129_E	132_D	1.82	1.00
62_L	99_V	1.802	1.00
30_W	155_I	1.782	1.00
76_K	80_E	1.761	1.00
26_A	151_Y	1.751	1.00
77_S	80_E	1.732	1.00
6_A	112_L	1.666	1.00
138_S	152_C	1.636	1.00
44_R	48_E	1.626	1.00
47_W	72_V	1.617	1.00
13_V	124_H	1.615	1.00
59_N	94_I	1.594	1.00
75_V	84_A	1.589	1.00
16_M	120_E	1.586	1.00
3_S	90_E	1.571	1.00
109_K	155_I	1.559	1.00
109_K	157_E	1.543	1.00
30_W	111_Y	1.51	1.00
31_F	94_I	1.494	1.00
116_D	152_C	1.49	1.00
93_V	103_F	1.433	1.00
35_T	57_R	1.411	1.00
48_E	68_T	1.401	0.99
111_Y	155_I	1.38	0.99
53_P	59_N	1.37	0.99
134_E	159_R	1.362	0.99
40_V	94_I	1.362	0.99
144_D	147_N	1.359	0.99
136_V	157_E	1.344	0.99
6_A	125_F	1.339	0.99
30_W	153_F	1.328	0.99
137_F	155_I	1.323	0.99
140_F	152_C	1.301	0.99
20_M	28_L	1.28	0.99
50_I	59_N	1.28	0.99
29_A	33_R	1.276	0.99
5_I	92_M	1.274	0.99
60_I	75_V	1.264	0.99
8_L	112_L	1.26	0.99
135_S	156_L	1.25	0.99
39_P	58_K	1.24	0.98
63_S	68_T	1.235	0.98
8_L	114_H	1.232	0.98
10_V	118_E	1.231	0.98
65_Q	68_T	1.227	0.98
34_N	111_Y	1.226	0.98
32_K	55_P	1.215	0.98
25_P	29_A	1.205	0.98
98_R	102_Q	1.192	0.98
97_G	101_E	1.179	0.98
66_P	76_K	1.178	0.98
141_H	151_Y	1.177	0.98
81_A	85_C	1.156	0.97
81_A	103_F	1.147	0.97
41_I	60_I	1.133	0.97
26_A	147_N	1.118	0.96
143_A	150_S	1.113	0.96
27_D	153_F	1.108	0.96
138_S	154_E	1.107	0.96
46_T	49_S	1.097	0.96
51_G	59_N	1.094	0.96
63_S	74_W	1.077	0.95
93_V	99_V	1.059	0.95
54_L	57_R	1.038	0.94
45_H	98_R	1.027	0.94
75_V	81_A	1.017	0.93
38_K	90_E	1.014	0.93
8_L	110_L	1.013	0.93
25_P	146_Q	1.009	0.93
9_A	119_V	1.005	0.93
97_G	123_T	1	0.92

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Scaled Score = (raw_score/average(raw_scores)) > 1 are listed. For all 3L/2 predictions, click on one of the links below.

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling

HHsearch Results: GREMLIN results overlayed on top 10 PDB hits:

Legend: Blue filled circles are GREMLIN results (Scaled_score >1). The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on 10 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	P(%)	HHΔ		Acc
2bl9A	1	0.9874	100	0.221	Contact Map	0.638
4eilA	8	0.9874	100	0.228	Contact Map	0.815
3ia4A	4	1	100	0.228	Contact Map	0.832
1j3kA	2	0.9874	100	0.231	Contact Map	0.675
2w9hA	1	0.9811	100	0.248	Contact Map	0.907
3irmA	4	0.9937	100	0.249	Contact Map	0.73
3tq8A	1	1	100	0.249	Contact Map	0.86
3rg9A	2	1	100	0.251	Contact Map	0.726
1zdrA	2	1	100	0.253	Contact Map	0.858
3vcoA	1	1	100	0.266	Contact Map	0.732

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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