MSCL - BACSU - GREMLIN Contacts

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MSCL - Large-conductance mechanosensitive channel

UniProt:	P94585	Sequences: MWNEFKAFAMRGNIVDLAIGVVIGGAFGKIVTSLVNDIIMPLVGLLLGGLDFSGLSFTFGDAVVKYGSFIQTIVNFLIISFSIFIVIRTLNGLRRKKEAEEEAAEEAVDAQEELLKEIRDLLKQQAKSPE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	130 (121)
Sequences:	2842 (1820)
Seq/√Len:	165.5

ECOLI - MSCL
BACSU - MSCL

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
32_T	36_N	3.619	1.00
3_N	7_A	3.409	1.00
110_A	113_E	3.099	1.00
4_E	88_R	2.895	1.00
29_K	32_T	2.265	1.00
110_A	116_K	2.155	1.00
56_S	63_V	2.107	1.00
4_E	91_N	2.103	1.00
28_G	32_T	2.034	1.00
33_S	37_D	1.995	1.00
65_K	68_S	1.954	1.00
81_F	85_I	1.951	1.00
15_V	90_L	1.924	1.00
55_L	66_Y	1.902	1.00
37_D	68_S	1.879	1.00
109_D	112_E	1.763	1.00
34_L	38_I	1.733	1.00
34_L	69_F	1.707	1.00
111_Q	114_L	1.696	1.00
94_R	97_K	1.670	1.00
17_L	21_V	1.632	1.00
107_A	113_E	1.612	1.00
21_V	28_G	1.604	1.00
56_S	61_D	1.601	1.00
38_I	64_V	1.558	1.00
75_N	79_I	1.524	1.00
7_A	95_R	1.503	1.00
108_V	113_E	1.482	1.00
29_K	75_N	1.464	1.00
9_A	80_S	1.458	1.00
17_L	20_G	1.455	1.00
109_D	113_E	1.443	1.00
71_Q	75_N	1.432	1.00
113_E	116_K	1.418	1.00
56_S	65_K	1.341	1.00
68_S	72_T	1.333	1.00
42_L	64_V	1.309	1.00
56_S	60_G	1.270	1.00
108_V	116_K	1.244	1.00
115_L	119_R	1.242	1.00
57_F	64_V	1.232	1.00
58_T	63_V	1.225	1.00
4_E	84_F	1.209	1.00
117_E	123_K	1.206	1.00
44_G	52_F	1.201	1.00
85_I	89_T	1.196	1.00
9_A	77_L	1.175	1.00
25_G	29_K	1.156	1.00
121_L	124_Q	1.152	1.00
52_F	70_I	1.141	1.00
116_K	121_L	1.132	1.00
94_R	98_E	1.130	1.00
57_F	66_Y	1.109	1.00
30_I	73_I	1.090	1.00
32_T	35_V	1.085	1.00
108_V	112_E	1.067	0.99
96_K	99_A	1.051	0.99
117_E	120_D	1.041	0.99
37_D	69_F	1.039	0.99
110_A	117_E	1.034	0.99
112_E	116_K	1.032	0.99
5_F	81_F	1.030	0.99
58_T	61_D	1.025	0.99
14_I	34_L	1.019	0.99
11_R	94_R	1.003	0.99
92_G	96_K	0.985	0.99
45_L	59_F	0.981	0.99
15_V	86_V	0.966	0.99
22_V	86_V	0.966	0.99
5_F	80_S	0.965	0.99
32_T	75_N	0.953	0.99
83_I	86_V	0.941	0.99
95_R	99_A	0.928	0.99
108_V	117_E	0.928	0.99
14_I	21_V	0.924	0.98
4_E	89_T	0.924	0.98
89_T	93_L	0.913	0.98
52_F	74_V	0.911	0.98
38_I	69_F	0.897	0.98
37_D	72_T	0.895	0.98
99_A	102_E	0.891	0.98
2_W	77_L	0.885	0.98
33_S	68_S	0.870	0.98
58_T	62_A	0.867	0.98
40_M	44_G	0.856	0.98
109_D	114_L	0.855	0.97
95_R	98_E	0.840	0.97
37_D	65_K	0.833	0.97
91_N	94_R	0.833	0.97
13_N	16_D	0.831	0.97
112_E	121_L	0.822	0.97
42_L	46_L	0.802	0.96
22_V	82_S	0.800	0.96
111_Q	116_K	0.799	0.96
14_I	30_I	0.791	0.96
51_D	54_G	0.788	0.96
44_G	62_A	0.783	0.96
7_A	91_N	0.782	0.96
111_Q	121_L	0.782	0.96
10_M	14_I	0.781	0.96
40_M	52_F	0.776	0.96
40_M	43_V	0.761	0.95
47_L	55_L	0.758	0.95
114_L	119_R	0.758	0.95
22_V	35_V	0.758	0.95
19_I	87_I	0.757	0.95
21_V	25_G	0.751	0.95
53_S	71_Q	0.750	0.95
71_Q	79_I	0.730	0.94
49_G	55_L	0.728	0.94
89_T	92_G	0.722	0.94
56_S	62_A	0.722	0.94
105_E	108_V	0.722	0.94
92_G	95_R	0.719	0.93
78_I	81_F	0.714	0.93
52_F	71_Q	0.709	0.93
36_N	40_M	0.706	0.93
28_G	82_S	0.705	0.93
56_S	59_F	0.698	0.92
23_I	83_I	0.698	0.92
28_G	79_I	0.696	0.92
109_D	116_K	0.689	0.92
39_I	82_S	0.684	0.92
39_I	78_I	0.678	0.91
44_G	67_G	0.678	0.91
40_M	71_Q	0.674	0.91
99_A	103_A	0.672	0.91
42_L	47_L	0.653	0.90
16_D	20_G	0.650	0.89
33_S	69_F	0.646	0.89
44_G	47_L	0.645	0.89
108_V	111_Q	0.640	0.89
61_D	65_K	0.639	0.89
110_A	121_L	0.632	0.88
35_V	40_M	0.624	0.87
69_F	73_I	0.619	0.87
24_G	90_L	0.618	0.87
47_L	50_L	0.615	0.87
104_A	107_A	0.610	0.86
56_S	66_Y	0.609	0.86
11_R	16_D	0.605	0.86
77_L	81_F	0.603	0.86
9_A	20_G	0.596	0.85
93_L	97_K	0.595	0.85
87_I	91_N	0.594	0.85
20_G	91_N	0.594	0.85
45_L	62_A	0.589	0.84
70_I	74_V	0.589	0.84
19_I	83_I	0.589	0.84
15_V	19_I	0.582	0.84
43_V	79_I	0.582	0.84
28_G	31_V	0.579	0.83
3_N	6_K	0.577	0.83
51_D	71_Q	0.576	0.83
81_F	89_T	0.569	0.82
74_V	78_I	0.569	0.82
5_F	9_A	0.567	0.82
97_K	102_E	0.566	0.82
57_F	62_A	0.565	0.82
24_G	28_G	0.561	0.81
113_E	121_L	0.561	0.81
46_L	49_G	0.559	0.81
102_E	105_E	0.556	0.81
45_L	49_G	0.553	0.80
5_F	8_F	0.550	0.80
90_L	94_R	0.544	0.79
16_D	19_I	0.540	0.79
98_E	102_E	0.537	0.78
22_V	79_I	0.537	0.78
66_Y	70_I	0.526	0.77
86_V	89_T	0.525	0.77
44_G	50_L	0.523	0.77
44_G	49_G	0.517	0.76
55_L	70_I	0.517	0.76
16_D	24_G	0.516	0.76
14_I	19_I	0.512	0.75
119_R	123_K	0.511	0.75
106_E	109_D	0.510	0.75
16_D	26_A	0.509	0.75
42_L	59_F	0.501	0.74
46_L	82_S	0.501	0.74
45_L	64_V	0.500	0.73

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
2oarA	7	0.9154	100	0.117	Contact Map
3hzqA	3	0.7077	100	0.285	Contact Map
4lkuA	3	0.2231	95.8	0.863	Contact Map
2riqA	2	0.2692	41.1	0.926	Contact Map
4rfsS	1	0.6385	24	0.934	Contact Map
2j69A	1	0.7385	21.8	0.936	Contact Map
2kluA	1	0.4462	21.4	0.936	Contact Map
3rlbA	1	0.6462	16.4	0.939	Contact Map
2mi2A	1	0.5	16.3	0.939	Contact Map
2yfvC	1	0.1769	14.7	0.94	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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