MDAB - ECOLI - GREMLIN Contacts

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MDAB - Modulator of drug activity B

UniProt:	P0AEY5	Sequences: MSNILIINGAKKFAHSNGQLNDTLTEVADGTLRDLGHDVRIVRADSDYDVKAEVQNFLWADVVIWQMPGWWMGAPWTVKKYIDDVFTEGHGTLYASDGRTRKDPSKKYGSGGLVQGKKYMLSLTWNAPMEAFTEKDQFFHGVGVDGVYLPFHKANQFLGMEPLPTFIANDVIKMPDVPRYTEEYRKHLVEIFG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12656
Length:	193 (167)
Sequences:	3714 (2635)
Seq/√Len:	203.9

ECOLI - MDAB KEFG YCAK KEFF AZOR
BACSU - YDEQ GS14 YRKL AZOR1 AZOR2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
40_R	59_W	4.097	1.00
3_N	38_D	2.864	1.00
9_G	77_T	2.512	1.00
80_K	84_D	2.506	1.00
74_A	151_F	2.278	1.00
8_N	25_T	2.181	1.00
40_R	56_N	2.176	1.00
54_V	92_T	2.094	1.00
118_K	161_E	2.054	1.00
27_V	185_R	2.053	1.00
69_G	123_L	2.022	1.00
55_Q	59_W	1.981	1.00
21_N	124_T	1.968	1.00
173_K	176_D	1.939	1.00
119_Y	155_N	1.931	1.00
62_V	118_K	1.927	1.00
58_L	92_T	1.915	1.00
174_M	178_P	1.900	1.00
52_A	56_N	1.894	1.00
55_Q	58_L	1.868	1.00
3_N	59_W	1.847	1.00
4_I	62_V	1.847	1.00
51_K	55_Q	1.807	1.00
79_K	83_D	1.740	1.00
27_V	30_G	1.706	1.00
63_V	160_M	1.699	1.00
5_L	56_N	1.689	1.00
42_V	56_N	1.655	1.00
26_E	30_G	1.652	1.00
76_W	80_K	1.624	1.00
53_E	81_Y	1.599	1.00
20_L	124_T	1.590	1.00
54_V	93_L	1.585	1.00
182_E	185_R	1.552	1.00
122_S	184_Y	1.517	1.00
30_G	185_R	1.510	1.00
20_L	177_V	1.457	1.00
21_N	66_Q	1.443	1.00
66_Q	184_Y	1.429	1.00
29_D	33_R	1.419	1.00
4_I	37_H	1.415	1.00
82_I	86_F	1.397	1.00
6_I	29_D	1.389	1.00
176_D	179_R	1.373	1.00
31_T	185_R	1.354	1.00
27_V	31_T	1.353	1.00
25_T	41_I	1.322	1.00
35_L	60_A	1.305	1.00
5_L	60_A	1.305	1.00
119_Y	160_M	1.302	1.00
50_V	54_V	1.295	1.00
180_Y	183_E	1.292	1.00
30_G	34_D	1.290	1.00
96_S	110_S	1.280	1.00
52_A	55_Q	1.274	1.00
166_F	183_E	1.274	1.00
115_Q	159_G	1.258	1.00
178_P	182_E	1.256	1.00
172_I	177_V	1.250	1.00
66_Q	122_S	1.221	1.00
28_A	184_Y	1.218	1.00
28_A	188_L	1.200	1.00
144_V	167_I	1.200	1.00
182_E	186_K	1.168	1.00
27_V	182_E	1.163	1.00
179_R	183_E	1.163	1.00
29_D	41_I	1.153	1.00
155_N	160_M	1.152	1.00
49_D	52_A	1.149	1.00
8_N	22_D	1.148	1.00
146_G	149_L	1.140	1.00
27_V	181_T	1.132	1.00
9_G	78_V	1.127	1.00
122_S	166_F	1.107	1.00
26_E	29_D	1.099	1.00
112_G	115_Q	1.089	1.00
129_M	133_T	1.085	1.00
60_A	63_V	1.080	1.00
37_H	56_N	1.080	1.00
46_S	80_K	1.074	1.00
95_A	113_L	1.064	1.00
86_F	158_L	1.059	1.00
129_M	169_N	1.057	1.00
114_V	160_M	1.054	1.00
168_A	180_Y	1.045	1.00
22_D	26_E	1.043	1.00
61_D	117_K	1.041	1.00
184_Y	188_L	1.038	1.00
24_L	124_T	1.026	1.00
74_A	78_V	1.021	1.00
153_K	156_Q	1.014	1.00
31_T	35_L	1.012	1.00
11_K	70_W	0.995	1.00
142_V	146_G	0.994	1.00
20_L	171_V	0.993	1.00
64_I	120_M	0.992	1.00
95_A	111_G	0.985	1.00
125_W	169_N	0.982	1.00
23_T	27_V	0.979	1.00
116_G	161_E	0.977	1.00
51_K	54_V	0.975	1.00
42_V	53_E	0.966	1.00
56_N	59_W	0.961	0.99
19_Q	174_M	0.949	0.99
58_L	113_L	0.942	0.99
30_G	33_R	0.940	0.99
40_R	77_T	0.939	0.99
168_A	172_I	0.938	0.99
67_M	121_L	0.938	0.99
69_G	144_V	0.927	0.99
37_H	42_V	0.915	0.99
149_L	152_H	0.909	0.99
23_T	181_T	0.907	0.99
25_T	29_D	0.894	0.99
54_V	87_T	0.892	0.99
57_F	63_V	0.889	0.99
107_K	110_S	0.889	0.99
123_L	148_Y	0.875	0.99
82_I	154_A	0.870	0.99
72_M	153_K	0.863	0.99
24_L	180_Y	0.862	0.99
38_D	41_I	0.862	0.99
24_L	122_S	0.859	0.99
118_K	163_L	0.859	0.99
12_K	18_G	0.854	0.99
71_W	83_D	0.848	0.99
177_V	181_T	0.841	0.99
142_V	149_L	0.834	0.99
41_I	44_A	0.828	0.98
3_N	40_R	0.826	0.98
147_V	150_P	0.820	0.98
155_N	162_P	0.818	0.98
6_I	28_A	0.805	0.98
9_G	39_V	0.799	0.98
31_T	34_D	0.797	0.98
120_M	187_H	0.786	0.98
128_P	131_A	0.782	0.98
33_R	38_D	0.782	0.98
122_S	168_A	0.779	0.98
164_P	187_H	0.775	0.98
123_L	167_I	0.772	0.98
88_E	96_S	0.770	0.98
76_W	84_D	0.769	0.98
34_D	185_R	0.759	0.97
24_L	28_A	0.759	0.97
3_N	61_D	0.746	0.97
33_R	39_V	0.740	0.97
8_N	21_N	0.740	0.97
57_F	81_Y	0.737	0.97
173_K	177_V	0.736	0.97
6_I	64_I	0.735	0.97
69_G	147_V	0.733	0.97
121_L	151_F	0.731	0.97
120_M	166_F	0.729	0.97
62_V	120_M	0.729	0.97
69_G	132_F	0.724	0.96
184_Y	187_H	0.724	0.96
7_I	81_Y	0.722	0.96
125_W	167_I	0.721	0.96
57_F	65_W	0.715	0.96
36_G	39_V	0.710	0.96
9_G	40_R	0.708	0.96
77_T	81_Y	0.707	0.96
177_V	180_Y	0.706	0.96
88_E	94_Y	0.703	0.96
131_A	139_F	0.703	0.96
179_R	182_E	0.695	0.96
49_D	53_E	0.694	0.95
172_I	180_Y	0.691	0.95
28_A	31_T	0.690	0.95
72_M	157_F	0.690	0.95
38_D	59_W	0.689	0.95
147_V	153_K	0.689	0.95
74_A	150_P	0.687	0.95
25_T	36_G	0.687	0.95
71_W	94_Y	0.685	0.95
6_I	25_T	0.680	0.95
7_I	65_W	0.678	0.95
142_V	147_V	0.672	0.95
65_W	155_N	0.670	0.95
29_D	39_V	0.670	0.95
43_R	48_Y	0.664	0.94
46_S	87_T	0.664	0.94
54_V	85_V	0.660	0.94
8_N	13_F	0.658	0.94
18_G	26_E	0.657	0.94
42_V	81_Y	0.655	0.94
54_V	88_E	0.653	0.94
67_M	123_L	0.652	0.94
39_V	44_A	0.651	0.94
24_L	184_Y	0.646	0.93
127_A	140_H	0.641	0.93
111_G	115_Q	0.632	0.93
53_E	56_N	0.629	0.92
93_L	114_V	0.627	0.92
119_Y	162_P	0.627	0.92
44_A	48_Y	0.625	0.92
20_L	168_A	0.624	0.92
74_A	82_I	0.623	0.92
125_W	132_F	0.622	0.92
112_G	159_G	0.622	0.92
67_M	78_V	0.618	0.92
132_F	136_D	0.610	0.91
145_D	148_Y	0.609	0.91
174_M	177_V	0.607	0.91
154_A	158_L	0.604	0.91
67_M	75_P	0.601	0.91
67_M	148_Y	0.600	0.91
125_W	144_V	0.598	0.90
166_F	184_Y	0.598	0.90
44_A	47_D	0.595	0.90
23_T	26_E	0.590	0.90
37_H	62_V	0.583	0.89
183_E	186_K	0.578	0.89
47_D	80_K	0.576	0.89
67_M	151_F	0.573	0.89
18_G	22_D	0.569	0.88
4_I	32_L	0.569	0.88
23_T	177_V	0.568	0.88
51_K	87_T	0.567	0.88
67_M	74_A	0.561	0.88
51_K	179_R	0.560	0.87
56_N	60_A	0.559	0.87
123_L	165_T	0.558	0.87
144_V	148_Y	0.557	0.87
7_I	37_H	0.556	0.87
57_F	86_F	0.555	0.87
55_Q	178_P	0.553	0.87
20_L	24_L	0.553	0.87
33_R	36_G	0.553	0.87
36_G	44_A	0.545	0.86
84_D	87_T	0.545	0.86
118_K	159_G	0.542	0.86
96_S	158_L	0.538	0.85
44_A	84_D	0.536	0.85
78_V	82_I	0.535	0.85
44_A	78_V	0.534	0.85
145_D	152_H	0.533	0.85
22_D	43_R	0.530	0.84
82_I	151_F	0.525	0.84
48_Y	52_A	0.524	0.84
181_T	184_Y	0.522	0.84
89_G	95_A	0.521	0.83
139_F	157_F	0.514	0.83
23_T	178_P	0.511	0.82
75_P	83_D	0.507	0.82
140_H	156_Q	0.505	0.81
20_L	181_T	0.502	0.81
47_D	84_D	0.500	0.81
125_W	171_V	0.500	0.81

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
2amjA	2	0.9378	100	0.36	Contact Map
3rpeA	2	0.9896	100	0.39	Contact Map
1d4aA	2	0.9067	100	0.393	Contact Map
4gi5A	2	0.9482	100	0.407	Contact Map
4fglA	2	0.9067	100	0.454	Contact Map
3ha2A	2	0.8549	100	0.478	Contact Map
3l9wA	2	0.8601	100	0.493	Contact Map
3lcmA	2	0.8705	100	0.494	Contact Map
4r81A	4	0.8808	100	0.495	Contact Map
3f2vA	2	0.8549	100	0.497	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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