MSCS - ECOLI - GREMLIN Contacts

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MSCS - Small-conductance mechanosensitive channel

UniProt:	P0C0S1	Sequences: MEDLNVVDSINGAGSWLVANQALLLSYAVNIVAALAIIIVGLIIARMISNAVNRLMISRKIDATVADFLSALVRYGIIAFTLIAALGRVGVQTASVIAVLGAAGLAVGLALQGSLSNLAAGVLLVMFRPFRAGEYVDLGGVAGTVLSVQIFSTTMRTADGKIIVIPNGKIIAGNIINFSREPVRRNEFIIGVAYDSDIDQVKQILTNIIQSEDRILKDREMTVRLNELGASSINFVVRVWSNSGDLQNVYWDVLERIKREFDAAGISFPYPQMDVNFKRVKEDKAA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11160
Length:	286 (249)
Sequences:	11430 (8334)
Seq/√Len:	528.1

ECOLI - MSCS YBIO MSCM MSCK YNAI YBDG
BACSU - YHDY YFKC YKUT
HALSA - Q9HQH2 Q9HNG6
SULSO - Q97V66 Q7LXV0 Q97V08 Q97V46

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
258_K	262_D	3.647	1.00
199_D	259_R	3.441	1.00
137_D	142_A	3.346	1.00
41_G	81_T	3.167	1.00
206_T	210_Q	3.118	1.00
146_L	156_R	3.117	1.00
202_K	255_E	3.001	1.00
227_E	234_N	2.921	1.00
260_E	263_A	2.689	1.00
260_E	264_A	2.677	1.00
200_Q	264_A	2.580	1.00
212_E	252_D	2.542	1.00
135_Y	142_A	2.480	1.00
169_K	173_G	2.460	1.00
226_N	236_V	2.441	1.00
229_G	234_N	2.339	1.00
112_Q	116_S	2.277	1.00
191_G	232_S	2.198	1.00
203_Q	207_N	2.179	1.00
197_D	200_Q	2.154	1.00
207_N	260_E	2.153	1.00
189_I	234_N	2.151	1.00
200_Q	203_Q	2.148	1.00
207_N	211_S	2.137	1.00
189_I	236_V	2.132	1.00
205_L	257_I	2.003	1.00
200_Q	204_I	1.973	1.00
147_S	154_T	1.964	1.00
250_Y	254_L	1.947	1.00
135_Y	144_T	1.932	1.00
256_R	259_R	1.921	1.00
204_I	260_E	1.849	1.00
137_D	178_F	1.813	1.00
193_A	267_S	1.806	1.00
191_G	234_N	1.765	1.00
252_D	256_R	1.743	1.00
192_V	201_V	1.734	1.00
208_I	256_R	1.731	1.00
208_I	260_E	1.704	1.00
225_L	233_I	1.703	1.00
204_I	264_A	1.696	1.00
146_L	162_I	1.695	1.00
211_S	256_R	1.665	1.00
202_K	206_T	1.644	1.00
239_V	253_V	1.622	1.00
196_S	267_S	1.618	1.00
259_R	263_A	1.610	1.00
157_T	163_I	1.584	1.00
199_D	255_E	1.570	1.00
137_D	176_I	1.567	1.00
137_D	140_G	1.555	1.00
127_F	151_F	1.551	1.00
139_G	174_N	1.532	1.00
216_L	219_R	1.522	1.00
209_I	237_V	1.499	1.00
212_E	256_R	1.481	1.00
135_Y	158_A	1.477	1.00
261_F	266_I	1.462	1.00
141_V	174_N	1.456	1.00
113_G	116_S	1.449	1.00
187_E	236_V	1.445	1.00
139_G	173_G	1.399	1.00
214_R	245_D	1.380	1.00
130_F	153_T	1.373	1.00
241_S	249_V	1.373	1.00
53_N	70_S	1.371	1.00
154_T	162_I	1.365	1.00
49_S	74_R	1.362	1.00
34_A	89_V	1.356	1.00
161_K	176_I	1.346	1.00
163_I	176_I	1.337	1.00
201_V	235_F	1.329	1.00
43_I	47_M	1.327	1.00
245_D	248_N	1.326	1.00
136_V	145_V	1.319	1.00
190_I	257_I	1.313	1.00
153_T	167_N	1.313	1.00
211_S	260_E	1.311	1.00
255_E	259_R	1.302	1.00
41_G	45_A	1.301	1.00
199_D	203_Q	1.297	1.00
105_L	108_G	1.283	1.00
248_N	252_D	1.268	1.00
134_E	180_R	1.254	1.00
256_R	260_E	1.244	1.00
86_L	91_V	1.216	1.00
30_N	33_A	1.209	1.00
205_L	237_V	1.208	1.00
246_L	250_Y	1.200	1.00
38_I	42_L	1.193	1.00
192_V	196_S	1.189	1.00
207_N	210_Q	1.185	1.00
77_I	81_T	1.177	1.00
204_I	207_N	1.176	1.00
230_A	273_M	1.176	1.00
186_N	239_V	1.174	1.00
74_R	78_I	1.168	1.00
143_G	155_M	1.160	1.00
131_R	180_R	1.158	1.00
214_R	252_D	1.153	1.00
85_A	89_V	1.131	1.00
193_A	196_S	1.127	1.00
169_K	172_A	1.119	1.00
189_I	227_E	1.113	1.00
162_I	180_R	1.111	1.00
169_K	174_N	1.111	1.00
230_A	234_N	1.107	1.00
49_S	70_S	1.097	1.00
195_D	258_K	1.090	1.00
242_N	245_D	1.073	1.00
34_A	85_A	1.072	1.00
99_V	102_A	1.072	1.00
195_D	270_Y	1.070	1.00
138_L	170_I	1.060	1.00
157_T	161_K	1.056	1.00
203_Q	206_T	1.055	1.00
195_D	267_S	1.054	1.00
199_D	202_K	1.049	1.00
191_G	229_G	1.044	1.00
196_S	201_V	1.035	1.00
206_T	223_V	1.031	1.00
194_Y	228_L	1.026	1.00
226_N	234_N	1.022	1.00
210_Q	217_K	1.018	1.00
95_S	98_A	1.002	1.00
185_R	240_W	0.977	1.00
184_R	246_L	0.976	1.00
189_I	226_N	0.971	1.00
186_N	250_Y	0.968	1.00
111_L	119_A	0.959	1.00
223_V	237_V	0.950	1.00
253_V	257_I	0.937	1.00
51_A	55_L	0.935	1.00
27_Y	31_I	0.931	1.00
152_S	164_V	0.928	1.00
29_V	33_A	0.921	1.00
251_W	255_E	0.913	1.00
187_E	238_R	0.910	1.00
209_I	239_V	0.909	1.00
103_A	107_V	0.908	1.00
192_V	235_F	0.904	1.00
42_L	46_R	0.903	1.00
206_T	221_M	0.902	1.00
198_I	235_F	0.902	1.00
149_Q	154_T	0.900	1.00
42_L	78_I	0.896	1.00
45_A	49_S	0.896	1.00
191_G	231_S	0.895	1.00
110_A	115_L	0.893	1.00
160_G	240_W	0.893	1.00
37_I	81_T	0.886	1.00
196_S	200_Q	0.884	1.00
97_I	101_G	0.881	1.00
156_R	162_I	0.880	1.00
261_F	268_F	0.874	1.00
144_T	156_R	0.873	1.00
214_R	249_V	0.870	1.00
214_R	248_N	0.868	1.00
212_E	215_I	0.868	1.00
67_D	71_A	0.864	1.00
45_A	74_R	0.861	1.00
123_L	171_I	0.861	1.00
198_I	202_K	0.859	1.00
192_V	266_I	0.856	1.00
37_I	88_R	0.856	1.00
227_E	254_L	0.854	1.00
267_S	274_D	0.854	1.00
212_E	253_V	0.850	1.00
204_I	266_I	0.850	1.00
228_L	233_I	0.848	1.00
231_S	270_Y	0.847	1.00
81_T	85_A	0.845	1.00
116_S	168_G	0.843	1.00
53_N	57_I	0.843	1.00
191_G	230_A	0.841	1.00
70_S	74_R	0.840	1.00
136_V	155_M	0.837	1.00
270_Y	274_D	0.837	1.00
224_R	251_W	0.835	1.00
198_I	233_I	0.826	1.00
33_A	88_R	0.823	1.00
247_Q	251_W	0.821	1.00
208_I	253_V	0.821	1.00
78_I	82_L	0.820	1.00
145_V	155_M	0.820	1.00
252_D	255_E	0.812	1.00
139_G	169_K	0.808	1.00
162_I	181_E	0.808	1.00
225_L	254_L	0.807	1.00
114_S	120_A	0.803	1.00
128_R	131_R	0.802	1.00
202_K	251_W	0.800	1.00
87_G	92_Q	0.796	1.00
193_A	269_P	0.795	1.00
224_R	236_V	0.788	1.00
141_V	163_I	0.785	1.00
102_A	111_L	0.785	1.00
192_V	261_F	0.782	1.00
39_I	43_I	0.781	1.00
120_A	171_I	0.778	1.00
198_I	258_K	0.774	1.00
41_G	77_I	0.762	1.00
46_R	50_N	0.761	1.00
156_R	160_G	0.756	1.00
216_L	242_N	0.754	1.00
205_L	261_F	0.748	1.00
188_F	254_L	0.748	1.00
127_F	152_S	0.745	1.00
28_A	31_I	0.740	1.00
226_N	250_Y	0.739	1.00
194_Y	268_F	0.731	1.00
99_V	103_A	0.731	1.00
186_N	241_S	0.730	1.00
191_G	194_Y	0.728	1.00
45_A	81_T	0.728	1.00
190_I	205_L	0.724	1.00
107_V	115_L	0.723	1.00
230_A	271_P	0.721	1.00
228_L	254_L	0.721	1.00
32_V	36_A	0.717	1.00
229_G	232_S	0.712	1.00
205_L	209_I	0.708	1.00
48_I	73_V	0.707	1.00
117_N	168_G	0.702	1.00
156_R	181_E	0.695	1.00
194_Y	233_I	0.694	1.00
45_A	77_I	0.693	1.00
209_I	253_V	0.690	1.00
130_F	170_I	0.689	1.00
188_F	239_V	0.689	1.00
203_Q	264_A	0.688	1.00
46_R	49_S	0.686	1.00
237_V	257_I	0.685	1.00
194_Y	270_Y	0.684	1.00
99_V	104_G	0.683	1.00
126_M	129_P	0.680	1.00
231_S	273_M	0.679	1.00
103_A	106_A	0.677	1.00
209_I	215_I	0.676	1.00
53_N	66_A	0.673	1.00
204_I	208_I	0.672	1.00
138_L	165_I	0.670	1.00
43_I	46_R	0.662	1.00
267_S	272_Q	0.661	1.00
38_I	41_G	0.660	1.00
222_T	238_R	0.657	1.00
233_I	258_K	0.653	1.00
52_V	55_L	0.652	1.00
215_I	249_V	0.650	1.00
149_Q	152_S	0.649	1.00
81_T	84_A	0.648	1.00
193_A	268_F	0.648	1.00
26_S	30_N	0.648	1.00
100_L	104_G	0.647	1.00
208_I	211_S	0.646	1.00
208_I	212_E	0.645	1.00
112_Q	168_G	0.644	1.00
197_D	259_R	0.644	1.00
185_R	238_R	0.643	1.00
247_Q	250_Y	0.643	1.00
144_T	244_G	0.642	1.00
205_L	223_V	0.642	1.00
116_S	172_A	0.642	1.00
137_D	141_V	0.641	1.00
206_T	220_E	0.639	1.00
231_S	271_P	0.637	1.00
92_Q	95_S	0.637	1.00
27_Y	30_N	0.635	1.00
154_T	164_V	0.634	1.00
67_D	147_S	0.634	1.00
37_I	41_G	0.632	1.00
213_D	217_K	0.631	1.00
138_L	141_V	0.630	1.00
114_S	171_I	0.629	1.00
206_T	209_I	0.629	1.00
47_M	50_N	0.628	1.00
79_A	83_I	0.627	1.00
142_A	178_F	0.623	1.00
141_V	176_I	0.622	1.00
32_V	35_L	0.620	1.00
36_A	39_I	0.617	1.00
64_T	125_V	0.617	1.00
45_A	78_I	0.616	1.00
210_Q	220_E	0.616	1.00
228_L	258_K	0.615	1.00
201_V	261_F	0.613	1.00
130_F	136_V	0.612	1.00
107_V	119_A	0.612	1.00
98_A	101_G	0.611	1.00
48_I	51_A	0.611	1.00
127_F	154_T	0.611	1.00
191_G	270_Y	0.610	1.00
209_I	223_V	0.610	1.00
101_G	104_G	0.609	1.00
120_A	168_G	0.607	1.00
102_A	106_A	0.604	1.00
84_A	88_R	0.603	1.00
224_R	247_Q	0.603	1.00
207_N	264_A	0.599	1.00
214_R	217_K	0.598	1.00
57_I	66_A	0.597	1.00
203_Q	210_Q	0.597	1.00
183_V	242_N	0.594	1.00
231_S	272_Q	0.594	1.00
97_I	106_A	0.592	0.99
48_I	77_I	0.590	0.99
94_A	98_A	0.589	0.99
113_G	168_G	0.587	0.99
47_M	51_A	0.585	0.99
54_R	58_S	0.583	0.99
113_G	172_A	0.582	0.99
190_I	237_V	0.581	0.99
200_Q	207_N	0.581	0.99
192_V	198_I	0.580	0.99
40_V	44_I	0.580	0.99
201_V	266_I	0.579	0.99
227_E	250_Y	0.576	0.99
209_I	221_M	0.576	0.99
63_A	66_A	0.576	0.99
270_Y	273_M	0.575	0.99
159_D	185_R	0.572	0.99
71_A	74_R	0.571	0.99
66_A	70_S	0.570	0.99
34_A	38_I	0.569	0.99
136_V	170_I	0.569	0.99
63_A	67_D	0.568	0.99
102_A	105_L	0.567	0.99
196_S	233_I	0.566	0.99
210_Q	221_M	0.564	0.99
28_A	32_V	0.563	0.99
186_N	246_L	0.561	0.99
36_A	40_V	0.559	0.99
193_A	270_Y	0.554	0.99
195_D	262_D	0.552	0.99
194_Y	230_A	0.551	0.99
254_L	257_I	0.551	0.99
71_A	75_Y	0.551	0.99
130_F	175_I	0.548	0.99
197_D	201_V	0.546	0.99
29_V	32_V	0.546	0.99
183_V	219_R	0.545	0.99
49_S	53_N	0.542	0.99
212_E	217_K	0.542	0.99
204_I	261_F	0.541	0.99
228_L	257_I	0.540	0.99
35_L	46_R	0.540	0.99
105_L	113_G	0.537	0.99
165_I	174_N	0.535	0.99
261_F	264_A	0.532	0.99
109_L	112_Q	0.532	0.99
115_L	119_A	0.526	0.99
161_K	178_F	0.526	0.99
144_T	158_A	0.526	0.99
124_L	130_F	0.524	0.99
84_A	87_G	0.523	0.99
268_F	272_Q	0.523	0.99
64_T	68_F	0.522	0.99
198_I	259_R	0.520	0.99
100_L	103_A	0.519	0.99
51_A	54_R	0.519	0.99
208_I	264_A	0.519	0.99
39_I	42_L	0.517	0.99
208_I	261_F	0.514	0.99
193_A	274_D	0.514	0.99
55_L	58_S	0.512	0.99
80_F	84_A	0.509	0.98
197_D	262_D	0.508	0.98
202_K	235_F	0.506	0.98
146_L	181_E	0.506	0.98
259_R	262_D	0.504	0.98
168_G	172_A	0.504	0.98
45_A	70_S	0.502	0.98
138_L	173_G	0.501	0.98
222_T	248_N	0.500	0.98

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
5ajiA	3	0.9196	100	0.103	Contact Map
4hw9A	3	0.8811	100	0.157	Contact Map
3udcA	3	0.8881	100	0.2	Contact Map
1nz9A	1	0.1678	23.9	0.948	Contact Map
2mi6A	1	0.1818	17	0.952	Contact Map
2e6zA	1	0.1783	16.8	0.952	Contact Map
3mlqE	1	0.1364	13.9	0.954	Contact Map
3tzuA	2	0.4126	11.8	0.955	Contact Map
2lt1A	1	0.2203	11.4	0.955	Contact Map
1ifkA	9	0.1783	9.3	0.957	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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