BSAA - BACSU - GREMLIN Contacts

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BSAA - Glutathione peroxidase homolog BsaA

UniProt:	P52035	Sequences: MSIYHMKVRTITGKDMTLQPFAGKVLMIVNTASKCGFTSQLKQLQELYDTYQQEGLEILGFPCNQFMNQEPGEEADIQEFCETNYGVTFPMFSKVDVNGKNAHPLFVYLTEHAKGMLGTKAIKWNFTKFIVDRNGEIVGRYSPNTNPKELEDDIVKLLEQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	160 (155)
Sequences:	4239 (2757)
Seq/√Len:	221.5

ECOLI - BTUE
BACSU - BSAA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
45_Q	49_D	3.142	1.00
50_T	151_E	3.054	1.00
132_D	136_E	2.852	1.00
74_E	93_S	2.830	1.00
151_E	155_V	2.515	1.00
10_T	14_K	2.476	1.00
43_Q	148_K	2.355	1.00
95_V	103_H	2.335	1.00
96_D	101_N	2.257	1.00
141_Y	153_D	2.198	1.00
24_K	57_E	2.125	1.00
59_L	92_F	2.079	1.00
19_Q	22_A	2.053	1.00
16_M	21_F	2.048	1.00
102_A	107_V	1.944	1.00
138_V	157_L	1.907	1.00
98_N	110_T	1.884	1.00
9_R	15_D	1.884	1.00
7_K	15_D	1.883	1.00
61_F	92_F	1.869	1.00
3_I	26_L	1.809	1.00
65_Q	96_D	1.802	1.00
12_T	78_Q	1.747	1.00
25_V	133_R	1.737	1.00
11_I	91_M	1.709	1.00
48_Y	52_Q	1.633	1.00
45_Q	88_T	1.625	1.00
102_A	110_T	1.623	1.00
16_M	20_P	1.611	1.00
9_R	93_S	1.590	1.00
6_M	108_Y	1.584	1.00
11_I	74_E	1.583	1.00
139_G	153_D	1.559	1.00
7_K	17_T	1.554	1.00
37_F	143_P	1.538	1.00
64_N	71_P	1.534	1.00
73_E	76_D	1.534	1.00
42_K	82_E	1.524	1.00
54_E	155_V	1.509	1.00
27_M	130_I	1.499	1.00
46_E	50_T	1.494	1.00
10_T	16_M	1.487	1.00
41_L	70_E	1.474	1.00
132_D	157_L	1.441	1.00
46_E	148_K	1.440	1.00
48_Y	57_E	1.428	1.00
25_V	157_L	1.423	1.00
113_A	137_I	1.406	1.00
64_N	68_N	1.404	1.00
27_M	150_L	1.382	1.00
127_T	140_R	1.378	1.00
17_T	20_P	1.345	1.00
42_K	46_E	1.338	1.00
132_D	138_V	1.332	1.00
4_Y	22_A	1.288	1.00
43_Q	146_N	1.270	1.00
16_M	92_F	1.268	1.00
60_G	91_M	1.267	1.00
3_I	6_M	1.256	1.00
8_V	103_H	1.250	1.00
49_D	88_T	1.247	1.00
61_F	95_V	1.243	1.00
6_M	105_L	1.205	1.00
79_E	83_T	1.192	1.00
122_I	129_F	1.167	1.00
72_G	76_D	1.165	1.00
52_Q	57_E	1.141	1.00
78_Q	82_E	1.133	1.00
60_G	87_V	1.101	1.00
8_V	61_F	1.072	1.00
11_I	78_Q	1.071	1.00
130_I	153_D	1.054	1.00
3_I	18_L	1.048	1.00
71_P	94_K	1.046	1.00
123_K	127_T	1.045	1.00
153_D	156_K	1.036	1.00
51_Y	151_E	1.036	1.00
31_T	41_L	1.033	1.00
8_V	92_F	1.033	1.00
60_G	70_E	1.027	1.00
38_T	80_F	1.016	1.00
152_D	155_V	1.000	1.00
26_L	57_E	0.998	1.00
33_S	70_E	0.997	1.00
38_T	41_L	0.988	1.00
122_I	127_T	0.986	1.00
115_G	142_S	0.977	1.00
112_H	137_I	0.976	1.00
57_E	90_P	0.960	1.00
3_I	28_I	0.958	1.00
18_L	105_L	0.957	1.00
98_N	102_A	0.943	1.00
63_C	96_D	0.941	1.00
27_M	56_L	0.941	1.00
21_F	92_F	0.940	1.00
114_K	120_K	0.938	1.00
37_F	144_N	0.937	1.00
102_A	121_A	0.930	1.00
43_Q	46_E	0.927	1.00
95_V	106_F	0.925	0.99
145_T	149_E	0.910	0.99
34_K	67_M	0.908	0.99
51_Y	155_V	0.896	0.99
111_E	120_K	0.894	0.99
77_I	94_K	0.881	0.99
29_V	44_L	0.880	0.99
127_T	142_S	0.877	0.99
33_S	91_M	0.873	0.99
70_E	91_M	0.859	0.99
129_F	140_R	0.859	0.99
8_V	105_L	0.840	0.99
127_T	143_P	0.825	0.99
3_I	105_L	0.809	0.99
36_G	69_Q	0.802	0.99
28_I	131_V	0.801	0.99
47_L	154_I	0.788	0.98
40_Q	81_C	0.782	0.98
33_S	80_F	0.778	0.98
34_K	84_N	0.770	0.98
51_Y	54_E	0.766	0.98
65_Q	98_N	0.765	0.98
11_I	93_S	0.762	0.98
142_S	145_T	0.760	0.98
139_G	150_L	0.757	0.98
115_G	118_G	0.750	0.98
108_Y	111_E	0.748	0.98
34_K	71_P	0.747	0.98
48_Y	58_I	0.743	0.98
153_D	157_L	0.742	0.98
33_S	60_G	0.735	0.97
25_V	56_L	0.723	0.97
98_N	121_A	0.714	0.97
80_F	85_Y	0.713	0.97
48_Y	90_P	0.710	0.97
141_Y	150_L	0.703	0.97
41_L	77_I	0.702	0.97
55_G	158_L	0.702	0.97
74_E	77_I	0.699	0.97
49_D	86_G	0.695	0.96
23_G	134_N	0.692	0.96
110_T	122_I	0.691	0.96
70_E	77_I	0.689	0.96
48_Y	56_L	0.689	0.96
39_S	85_Y	0.689	0.96
64_N	72_G	0.683	0.96
51_Y	55_G	0.681	0.96
6_M	103_H	0.680	0.96
21_F	26_L	0.680	0.96
49_D	52_Q	0.676	0.96
112_H	136_E	0.663	0.95
55_G	133_R	0.658	0.95
72_G	77_I	0.657	0.95
45_Q	87_V	0.652	0.95
65_Q	101_N	0.648	0.95
116_M	142_S	0.641	0.94
76_D	79_E	0.641	0.94
77_I	80_F	0.639	0.94
24_K	56_L	0.639	0.94
37_F	123_K	0.637	0.94
37_F	127_T	0.637	0.94
116_M	120_K	0.634	0.94
108_Y	112_H	0.633	0.94
28_I	105_L	0.631	0.94
147_P	150_L	0.629	0.94
118_G	121_A	0.625	0.94
28_I	59_L	0.620	0.93
78_Q	83_T	0.617	0.93
61_F	103_H	0.615	0.93
3_I	108_Y	0.615	0.93
23_G	135_G	0.615	0.93
130_I	141_Y	0.612	0.93
60_G	89_F	0.607	0.93
150_L	153_D	0.605	0.93
11_I	77_I	0.604	0.93
41_L	72_G	0.602	0.92
148_K	151_E	0.600	0.92
8_V	18_L	0.598	0.92
4_Y	133_R	0.596	0.92
50_T	155_V	0.595	0.92
82_E	86_G	0.592	0.92
64_N	94_K	0.590	0.92
43_Q	150_L	0.585	0.91
21_F	90_P	0.585	0.91
31_T	127_T	0.583	0.91
11_I	60_G	0.582	0.91
59_L	90_P	0.582	0.91
93_S	103_H	0.580	0.91
52_Q	88_T	0.579	0.91
20_P	90_P	0.573	0.90
82_E	85_Y	0.573	0.90
150_L	154_I	0.572	0.90
4_Y	108_Y	0.570	0.90
32_A	35_C	0.568	0.90
123_K	144_N	0.567	0.90
45_Q	89_F	0.567	0.90
122_I	140_R	0.566	0.90
45_Q	81_C	0.566	0.90
132_D	137_I	0.563	0.90
114_K	117_L	0.562	0.90
41_L	80_F	0.560	0.89
52_Q	55_G	0.557	0.89
61_F	105_L	0.555	0.89
81_C	87_V	0.554	0.89
31_T	70_E	0.552	0.89
40_Q	43_Q	0.550	0.89
133_R	157_L	0.548	0.88
71_P	77_I	0.548	0.88
31_T	106_F	0.544	0.88
21_F	59_L	0.544	0.88
69_Q	124_W	0.544	0.88
39_S	42_K	0.543	0.88
29_V	106_F	0.542	0.88
39_S	146_N	0.540	0.88
65_Q	97_V	0.539	0.88
31_T	60_G	0.537	0.87
41_L	126_F	0.534	0.87
75_A	79_E	0.529	0.87
37_F	67_M	0.529	0.87
46_E	49_D	0.528	0.87
40_Q	45_Q	0.524	0.86
154_I	158_L	0.523	0.86
48_Y	55_G	0.517	0.85
37_F	98_N	0.516	0.85
107_V	111_E	0.512	0.85
103_H	107_V	0.511	0.85
81_C	84_N	0.510	0.85
70_E	87_V	0.509	0.85
146_N	149_E	0.508	0.84
8_V	11_I	0.506	0.84
48_Y	88_T	0.504	0.84
123_K	143_P	0.500	0.84
78_Q	91_M	0.500	0.84

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
2p5qA	3	0.9938	100	0.586	Contact Map
2i3yA	3	1	99.9	0.602	Contact Map
2r37A	3	1	99.9	0.604	Contact Map
2f8aA	3	0.9938	99.9	0.608	Contact Map
3dwvA	1	0.9875	99.9	0.615	Contact Map
2vupA	1	1	99.9	0.618	Contact Map
2p31A	1	0.9625	99.9	0.624	Contact Map
3cmiA	1	0.8875	99.9	0.631	Contact Map
3kijA	1	0.9688	99.9	0.632	Contact Map
2v1mA	1	0.9938	99.9	0.636	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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