OPENSEQ.org - NUDB - ECOLI GREMLIN

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NUDB - Dihydroneopterin triphosphate pyrophosphatase

UniProt:	P0AFC0	Sequence MKDKVYKRPVSILVVIYAQDTKRVLMLQRRDDPDFWQSVTGSVEEGETAPQAAMREVKEEVTIDVVAEQLTLIDCQRTVEFEIFSHLRHRYAPGVTRNTESWFCLALPHERQIVFTEHLAYKWLDAPAAAALTKSWSNRQAIEQFVINAA	Download Alignment We filter this alignment to remove sites that have > 75% gaps before running GREMLIN.
EcoGene:	EG11138
Length:	150 (145)
Sequences:	217
Seq/Len:	1.50

NUDB
Paralog alert: 0.00 [within 20: 0.00] - 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
79_V	102_W	3.182	1.00
122_K	132_L	2.205	0.99
136_W	139_R	2.084	0.99
28_Q	34_D	1.97	0.98
77_R	102_W	1.684	0.93
81_F	84_F	1.643	0.92
32_D	35_F	1.583	0.90
128_A	131_A	1.566	0.89
18_A	22_K	1.542	0.88
48_T	51_Q	1.525	0.87
43_V	49_A	1.521	0.87
85_S	115_F	1.489	0.86
43_V	52_A	1.467	0.84
16_I	105_L	1.465	0.84
83_I	89_H	1.425	0.82
82_E	88_R	1.407	0.81
49_A	101_S	1.383	0.79
130_A	137_S	1.382	0.79
31_D	119_L	1.38	0.79
90_R	137_S	1.353	0.77
47_E	146_V	1.347	0.77
63_I	70_L	1.346	0.77
46_G	51_Q	1.339	0.76
23_R	110_E	1.335	0.76
80_E	102_W	1.332	0.76
75_C	104_C	1.304	0.73
136_W	140_Q	1.3	0.73
68_E	111_R	1.293	0.73
44_E	116_T	1.254	0.69
43_V	46_G	1.247	0.69
50_P	54_M	1.242	0.68
28_Q	32_D	1.231	0.67
81_F	137_S	1.231	0.67
66_V	71_T	1.23	0.67
28_Q	119_L	1.228	0.67
96_T	101_S	1.22	0.66
33_P	119_L	1.205	0.65
32_D	86_H	1.202	0.64
107_L	111_R	1.196	0.64
82_E	97_R	1.19	0.63
20_D	23_R	1.171	0.62
10_V	43_V	1.169	0.61
18_A	23_R	1.164	0.61
77_R	144_Q	1.156	0.60
64_D	70_L	1.149	0.59
6_Y	23_R	1.111	0.55
104_C	139_R	1.11	0.55
62_T	69_Q	1.102	0.55
8_R	44_E	1.099	0.54
6_Y	47_E	1.096	0.54
18_A	116_T	1.096	0.54
8_R	104_C	1.091	0.53
115_F	148_N	1.091	0.53
83_I	87_L	1.072	0.51
28_Q	82_E	1.07	0.51
46_G	114_V	1.069	0.51
51_Q	54_M	1.068	0.51
80_E	97_R	1.065	0.51
13_L	38_S	1.064	0.51
99_T	112_Q	1.062	0.50
38_S	135_S	1.05	0.49
95_V	130_A	1.049	0.49
50_P	79_V	1.048	0.49
17_Y	104_C	1.048	0.49
92_A	95_V	1.048	0.49
65_V	126_A	1.043	0.48
72_L	121_Y	1.035	0.48
6_Y	93_P	1.031	0.47
28_Q	75_C	1.031	0.47
58_K	64_D	1.027	0.47
22_K	127_P	1.022	0.46
89_H	137_S	1.019	0.46
13_L	138_N	1.017	0.46
87_L	97_R	1.015	0.46
114_V	148_N	1.011	0.45
83_I	115_F	1.003	0.44
58_K	66_V	1.002	0.44
130_A	143_E	1	0.44

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
2o1cA	4	1	99.9	0.593	Contact Map	0.527
3sonA	2	0.92	99.8	0.691	Contact Map	0.424
1f3yA	1	0.9	99.7	0.712	Contact Map	0.429
2azwA	1	0.9267	99.7	0.714	Contact Map	0.409
1ktgA	2	0.88	99.7	0.723	Contact Map	0.455
2qjoA	3	0.9267	99.7	0.723	Contact Map	0.35
3dupA	2	0.94	99.7	0.725	Contact Map	0.424
3fcmA	2	0.9667	99.7	0.726	Contact Map	0.562
4ijxA	2	0.88	99.7	0.727	Contact Map	0.503
2kdvA	1	0.9667	99.7	0.728	Contact Map	0.452

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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