OPENSEQ.org - MARR - ECOLI GREMLIN

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MARR - Multiple antibiotic resistance protein MarR

UniProt:	P27245	Sequence MKSTSDLFNEIIPLGRLIHMVNQKKDRLLNEYLSPLDITAAQFKVLCSIRCAACITPVELKKVLSVDLGALTRMLDRLVCKGWVERLPNPNDKRGVLVKLTTGGAAICEQCHQLVGQDLHQELTKNLTADEVATLEYLLKKVLP	Download Alignment We filter this alignment to remove sites that have > 75% gaps before running GREMLIN.
EcoGene:	EG11435
Length:	144 (133)
Sequences:	8863
Seq/Len:	66.64

MARR
Paralog alert: 0.86 [within 20: 0.12] - ratio of genomes with paralogs
Cluster includes: MARR MPRA SLYA

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
131_E	141_K	2.919	1.00
87_L	99_K	2.881	1.00
54_C	99_K	2.799	1.00
128_T	131_E	2.724	1.00
85_E	99_K	2.566	1.00
89_N	97_L	2.339	1.00
127_L	138_L	2.252	1.00
134_T	138_L	2.153	1.00
134_T	137_Y	2.018	1.00
56_T	95_G	1.947	1.00
50_R	108_C	1.916	1.00
42_Q	81_K	1.897	1.00
79_V	86_R	1.842	1.00
57_P	75_L	1.829	1.00
88_P	96_V	1.811	1.00
89_N	95_G	1.783	1.00
56_T	59_E	1.766	1.00
135_L	138_L	1.728	1.00
76_D	93_K	1.71	1.00
50_R	100_L	1.686	1.00
103_G	106_A	1.644	1.00
52_A	63_V	1.636	1.00
131_E	137_Y	1.633	1.00
82_G	103_G	1.563	1.00
76_D	80_C	1.509	1.00
103_G	107_I	1.508	1.00
131_E	134_T	1.469	1.00
17_L	140_K	1.467	1.00
138_L	141_K	1.456	1.00
39_T	42_Q	1.425	1.00
75_L	98_V	1.395	0.99
36_L	114_L	1.322	0.99
57_P	96_V	1.304	0.99
106_A	110_Q	1.297	0.99
50_R	105_A	1.274	0.99
42_Q	77_R	1.267	0.99
58_V	68_L	1.246	0.98
72_T	76_D	1.244	0.98
75_L	84_V	1.237	0.98
45_V	71_L	1.235	0.98
131_E	138_L	1.232	0.98
45_V	74_M	1.213	0.98
66_V	70_A	1.191	0.98
57_P	98_V	1.185	0.98
59_E	62_K	1.173	0.98
102_T	105_A	1.141	0.97
57_P	72_T	1.136	0.97
107_I	110_Q	1.131	0.97
102_T	106_A	1.126	0.97
137_Y	141_K	1.115	0.96
81_K	103_G	1.112	0.96
100_L	104_G	1.104	0.96
41_A	74_M	1.093	0.96
36_L	110_Q	1.09	0.96
17_L	136_E	1.087	0.96
32_Y	122_E	1.08	0.95
46_L	108_C	1.076	0.95
86_R	96_V	1.074	0.95
32_Y	114_L	1.071	0.95
83_W	107_I	1.071	0.95
30_N	40_A	1.059	0.95
67_D	73_R	1.053	0.95
69_G	72_T	1.039	0.94
21_V	139_L	1.033	0.94
54_C	97_L	1.033	0.94
22_N	26_D	1.027	0.94
32_Y	118_D	1.024	0.93
130_D	134_T	1.02	0.93
75_L	79_V	1.017	0.93
48_S	64_L	1.013	0.93
49_I	84_V	1.007	0.93
30_N	34_S	1.006	0.93
37_D	81_K	1.002	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
1z91A	1	0.9792	99.9	0.23	Contact Map	0.566
4em2A	1	0.9931	99.9	0.231	Contact Map	0.604
3cdhA	2	0.9931	99.9	0.232	Contact Map	0.65
3cjnA	1	0.9931	99.9	0.234	Contact Map	0.632
3deuA	2	0.9931	99.9	0.244	Contact Map	0.665
3zmdA	4	0.9931	99.9	0.244	Contact Map	0.801
2fxaA	4	0.9931	99.9	0.246	Contact Map	0.787
3oopA	1	0.9722	99.9	0.247	Contact Map	0.643
3u2rA	1	0.9931	99.9	0.247	Contact Map	0.638
4aikA	2	0.9306	99.9	0.247	Contact Map	0.717

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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