MSRB - ECOLI - GREMLIN Contacts

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MSRB - Peptide methionine sulfoxide reductase MsrB

UniProt:	P0A746	Sequences: MANKPSAEELKKNLSEMQFYVTQNHGTEPPFTGRLLHNKRDGVYHCLICDAPLFHSQTKYDSGCGWPSFYEPVSEESIRYIKDLSHGMQRIEIRCGNCDAHLGHVFPDGPQPTGERYCVNSASLRFTDGENGEEING	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12394
Length:	137 (124)
Sequences:	4719 (2605)
Seq/√Len:	234.0

ECOLI - MSRB
BACSU - MSRB
HALSA - Q9HPZ3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
15_S	18_Q	2.973	1.00
5_P	13_N	2.845	1.00
20_Y	24_N	2.816	1.00
33_G	121_S	2.698	1.00
81_I	94_R	2.597	1.00
20_Y	26_G	2.406	1.00
84_L	89_Q	2.371	1.00
82_K	89_Q	2.202	1.00
22_T	100_A	2.186	1.00
25_H	94_R	2.180	1.00
48_I	100_A	2.167	1.00
18_Q	47_L	2.112	1.00
93_I	119_V	2.018	1.00
51_A	97_N	2.010	1.00
6_S	9_E	1.961	1.00
45_H	127_T	1.897	1.00
58_T	70_Y	1.866	1.00
38_N	126_F	1.725	1.00
70_Y	112_P	1.704	1.00
49_C	98_C	1.679	1.00
22_T	48_I	1.630	1.00
54_F	117_Y	1.617	1.00
58_T	71_E	1.613	1.00
41_D	129_G	1.594	1.00
51_A	96_G	1.581	1.00
39_K	62_S	1.564	1.00
52_P	73_V	1.553	1.00
22_T	47_L	1.522	1.00
107_P	115_E	1.492	1.00
25_H	81_I	1.486	1.00
21_V	122_A	1.477	1.00
79_R	94_R	1.468	1.00
70_Y	113_T	1.459	1.00
29_P	32_T	1.445	1.00
51_A	77_S	1.439	1.00
80_Y	115_E	1.434	1.00
36_L	39_K	1.367	1.00
85_S	88_M	1.348	1.00
50_D	125_R	1.345	1.00
45_H	50_D	1.337	1.00
95_C	98_C	1.322	1.00
35_L	38_N	1.314	1.00
79_R	99_D	1.309	1.00
17_M	20_Y	1.293	1.00
86_H	89_Q	1.263	1.00
23_Q	48_I	1.257	1.00
79_R	96_G	1.254	1.00
40_R	128_D	1.243	1.00
39_K	61_D	1.215	1.00
56_S	59_K	1.200	1.00
94_R	99_D	1.191	1.00
17_M	122_A	1.186	1.00
108_D	114_G	1.179	1.00
7_A	24_N	1.158	1.00
43_V	73_V	1.158	1.00
34_R	121_S	1.139	1.00
9_E	13_N	1.075	1.00
7_A	23_Q	1.072	1.00
9_E	12_K	1.070	1.00
55_H	129_G	1.065	1.00
34_R	125_R	1.043	1.00
43_V	52_P	1.024	1.00
38_N	44_Y	1.012	1.00
46_C	95_C	0.981	1.00
74_S	77_S	0.972	1.00
10_L	23_Q	0.971	1.00
19_F	23_Q	0.969	1.00
83_D	90_R	0.966	1.00
31_F	37_H	0.955	1.00
8_E	12_K	0.951	1.00
10_L	13_N	0.949	1.00
80_Y	91_I	0.942	1.00
45_H	125_R	0.940	1.00
41_D	57_Q	0.917	1.00
7_A	11_K	0.913	1.00
46_C	49_C	0.906	1.00
46_C	98_C	0.905	1.00
40_R	126_F	0.892	0.99
16_E	20_Y	0.887	0.99
35_L	126_F	0.884	0.99
77_S	97_N	0.875	0.99
22_T	123_S	0.873	0.99
11_K	19_F	0.867	0.99
28_E	122_A	0.866	0.99
39_K	64_C	0.853	0.99
17_M	21_V	0.851	0.99
84_L	87_G	0.847	0.99
19_F	24_N	0.845	0.99
31_F	36_L	0.840	0.99
77_S	96_G	0.839	0.99
10_L	48_I	0.827	0.99
60_Y	64_C	0.820	0.99
49_C	95_C	0.815	0.99
70_Y	111_Q	0.812	0.99
45_H	52_P	0.808	0.99
48_I	98_C	0.785	0.99
36_L	61_D	0.774	0.98
93_I	102_L	0.769	0.98
102_L	119_V	0.769	0.98
17_M	29_P	0.766	0.98
35_L	121_S	0.764	0.98
6_S	10_L	0.754	0.98
33_G	36_L	0.746	0.98
119_V	124_L	0.744	0.98
60_Y	70_Y	0.742	0.98
107_P	114_G	0.742	0.98
55_H	73_V	0.735	0.98
44_Y	56_S	0.735	0.98
59_K	62_S	0.725	0.98
37_H	61_D	0.724	0.98
7_A	19_F	0.715	0.97
5_P	9_E	0.714	0.97
25_H	99_D	0.708	0.97
25_H	85_S	0.708	0.97
47_L	100_A	0.705	0.97
83_D	104_H	0.700	0.97
78_I	102_L	0.700	0.97
72_P	76_E	0.693	0.97
60_Y	113_T	0.677	0.97
17_M	26_G	0.672	0.96
72_P	80_Y	0.671	0.96
76_E	96_G	0.666	0.96
105_V	115_E	0.665	0.96
30_P	86_H	0.663	0.96
41_D	56_S	0.652	0.96
55_H	58_T	0.650	0.96
47_L	123_S	0.643	0.95
38_N	59_K	0.641	0.95
10_L	19_F	0.636	0.95
93_I	117_Y	0.636	0.95
36_L	68_S	0.636	0.95
23_Q	100_A	0.632	0.95
108_D	111_Q	0.629	0.95
72_P	117_Y	0.624	0.95
47_L	125_R	0.618	0.94
64_C	68_S	0.615	0.94
46_C	100_A	0.610	0.94
92_E	118_C	0.609	0.94
8_E	11_K	0.609	0.94
110_P	114_G	0.608	0.94
25_H	86_H	0.607	0.94
50_D	127_T	0.602	0.93
92_E	101_H	0.601	0.93
71_E	74_S	0.597	0.93
38_N	121_S	0.591	0.93
27_T	101_H	0.589	0.93
71_E	80_Y	0.586	0.92
90_R	104_H	0.586	0.92
54_F	105_V	0.585	0.92
18_Q	122_A	0.582	0.92
43_V	55_H	0.574	0.92
5_P	10_L	0.574	0.92
101_H	104_H	0.573	0.92
80_Y	107_P	0.571	0.92
19_F	48_I	0.567	0.91
11_K	15_S	0.566	0.91
56_S	126_F	0.562	0.91
64_C	87_G	0.562	0.91
84_L	88_M	0.559	0.91
7_A	10_L	0.556	0.90
38_N	56_S	0.553	0.90
83_D	88_M	0.550	0.90
72_P	78_I	0.549	0.90
80_Y	93_I	0.546	0.90
38_N	69_F	0.545	0.90
41_D	128_D	0.544	0.89
119_V	123_S	0.540	0.89
13_N	19_F	0.540	0.89
93_I	105_V	0.539	0.89
106_F	116_R	0.539	0.89
54_F	80_Y	0.535	0.89
111_Q	114_G	0.529	0.88
109_G	115_E	0.522	0.87
80_Y	117_Y	0.519	0.87
36_L	44_Y	0.517	0.87
77_S	98_C	0.516	0.87
30_P	33_G	0.516	0.87
83_D	91_I	0.514	0.87
55_H	71_E	0.512	0.86
32_T	36_L	0.511	0.86
32_T	121_S	0.511	0.86
72_P	93_I	0.509	0.86
107_P	110_P	0.507	0.86
53_L	102_L	0.507	0.86
71_E	112_P	0.503	0.85
32_T	122_A	0.500	0.85

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
3cxkA	2	0.9489	100	0.032	Contact Map
2k8dA	1	0.9708	100	0.037	Contact Map
3e0oA	3	0.9854	100	0.041	Contact Map
3hcgA	3	0.9927	100	0.044	Contact Map
3e0mA	4	1	100	0.044	Contact Map
2l1uA	1	0.9562	100	0.061	Contact Map
3hcjA	1	0.9927	100	0.063	Contact Map
3maoA	1	0.7591	100	0.279	Contact Map
2kv1A	1	0.8102	100	0.28	Contact Map
5amhA	1	0.6496	63.5	0.934	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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