IOLS - BACSU - GREMLIN Contacts

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IOLS - Protein IolS

UniProt:	P46336	Sequences: MKKAKLGKSDLQVFPIGLGTNAVGGHNLYPNLNEETGKELVREAIRNGVTMLDTAYIYGIGRSEELIGEVLREFNREDVVIATKAAHRKQGNDFVFDNSPDFLKKSVDESLKRLNTDYIDLFYIHFPDEHTPKDEAVNALNEMKKAGKIRSIGVSNFSLEQLKEANKDGLVDVLQGEYNLLNREAEKTFFPYTKEHNISFIPYFPLVSGLLAGKYTEDTTFPEGDLRNEQEHFKGERFKENIRKVNKLAPIAEKHNVDIPHIVLAWYLARPEIDILIPGAKRADQLIDNIKTADVTLSQEDISFIDKLFA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	310 (262)
Sequences:	32261 (20449)
Seq/√Len:	1263.3

ECOLI - YDJG YAJO TAS GPR YDHF YEAE YDBC DKGA DKGB
BACSU - IOLS GS69 YCCK YRPG YQKF YCSN YTBE GR
HALSA - Q9HPH9 Q9HNN3 Q9HQU7 Q9HSE6 Q9HS02 Q9HQT1
SULSO - Q97UG6 Q97UJ7 Q97UV9 Q97ZZ1 Q97V56 Q97U17

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
43_E	287_I	3.193	1.00
108_D	148_K	2.976	1.00
34_E	69_E	2.932	1.00
72_R	115_N	2.810	1.00
255_H	301_D	2.781	1.00
298_S	301_D	2.500	1.00
107_V	143_M	2.487	1.00
38_K	73_E	2.474	1.00
104_K	142_E	2.427	1.00
5_K	12_Q	2.388	1.00
104_K	146_A	2.383	1.00
43_E	47_N	2.318	1.00
254_K	304_F	2.207	1.00
141_N	145_K	2.106	1.00
249_A	253_E	2.060	1.00
38_K	69_E	2.049	1.00
269_A	302_I	2.013	1.00
254_K	301_D	2.002	1.00
118_Y	150_R	1.990	1.00
109_E	113_R	1.957	1.00
142_E	146_A	1.946	1.00
192_Y	196_H	1.944	1.00
299_Q	303_S	1.922	1.00
283_A	287_I	1.915	1.00
75_N	78_D	1.911	1.00
250_P	304_F	1.895	1.00
193_T	200_F	1.856	1.00
43_E	283_A	1.844	1.00
17_G	51_M	1.840	1.00
100_P	142_E	1.814	1.00
62_R	65_E	1.808	1.00
163_K	167_K	1.760	1.00
47_N	287_I	1.759	1.00
123_Y	173_V	1.749	1.00
142_E	145_K	1.744	1.00
257_V	295_V	1.736	1.00
270_R	306_D	1.717	1.00
81_I	116_T	1.714	1.00
65_E	113_R	1.685	1.00
83_T	119_I	1.659	1.00
247_K	250_P	1.639	1.00
199_S	275_I	1.631	1.00
100_P	104_K	1.630	1.00
258_D	288_D	1.630	1.00
47_N	290_I	1.629	1.00
44_A	49_V	1.621	1.00
163_K	192_Y	1.617	1.00
85_A	122_F	1.613	1.00
38_K	42_R	1.603	1.00
265_A	295_V	1.597	1.00
33_N	36_T	1.596	1.00
83_T	110_S	1.594	1.00
38_K	70_V	1.583	1.00
291_K	294_D	1.566	1.00
43_E	46_R	1.565	1.00
104_K	108_D	1.565	1.00
107_V	122_F	1.563	1.00
42_R	73_E	1.554	1.00
139_A	142_E	1.553	1.00
85_A	103_L	1.543	1.00
303_S	307_K	1.538	1.00
82_A	123_Y	1.516	1.00
20_T	52_L	1.482	1.00
105_K	109_E	1.453	1.00
11_L	151_S	1.446	1.00
56_Y	106_S	1.438	1.00
257_V	261_H	1.422	1.00
123_Y	201_I	1.409	1.00
45_I	79_V	1.401	1.00
36_T	39_E	1.395	1.00
119_I	149_I	1.393	1.00
191_P	195_E	1.391	1.00
108_D	112_K	1.390	1.00
188_T	191_P	1.383	1.00
41_V	70_V	1.380	1.00
158_S	161_Q	1.378	1.00
194_K	271_P	1.367	1.00
166_N	196_H	1.364	1.00
34_E	38_K	1.359	1.00
287_I	291_K	1.342	1.00
166_N	192_Y	1.336	1.00
176_G	200_F	1.308	1.00
100_P	138_N	1.297	1.00
265_A	269_A	1.291	1.00
11_L	80_V	1.284	1.00
42_R	46_R	1.277	1.00
104_K	139_A	1.275	1.00
39_E	43_E	1.269	1.00
257_V	262_I	1.263	1.00
151_S	172_D	1.261	1.00
250_P	254_K	1.256	1.00
109_E	112_K	1.255	1.00
149_I	152_I	1.253	1.00
159_L	192_Y	1.252	1.00
247_K	304_F	1.251	1.00
143_M	149_I	1.251	1.00
304_F	307_K	1.249	1.00
280_A	285_Q	1.237	1.00
100_P	139_A	1.224	1.00
64_E	110_S	1.203	1.00
114_L	119_I	1.197	1.00
52_L	67_I	1.196	1.00
68_G	115_N	1.195	1.00
69_E	115_N	1.193	1.00
80_V	121_L	1.193	1.00
258_D	261_H	1.187	1.00
190_F	194_K	1.181	1.00
35_E	39_E	1.179	1.00
280_A	286_L	1.168	1.00
251_I	262_I	1.166	1.00
127_P	161_Q	1.150	1.00
163_K	195_E	1.149	1.00
121_L	173_V	1.149	1.00
249_A	259_I	1.147	1.00
76_R	116_T	1.144	1.00
65_E	69_E	1.143	1.00
135_E	138_N	1.142	1.00
76_R	118_Y	1.137	1.00
107_V	119_I	1.134	1.00
284_D	287_I	1.131	1.00
163_K	196_H	1.115	1.00
102_F	105_K	1.108	1.00
101_D	105_K	1.108	1.00
42_R	74_F	1.103	1.00
178_Y	270_R	1.094	1.00
141_N	169_G	1.093	1.00
144_K	172_D	1.092	1.00
141_N	144_K	1.090	1.00
51_M	201_I	1.086	1.00
246_N	250_P	1.081	1.00
140_L	152_I	1.079	1.00
51_M	82_A	1.069	1.00
9_S	151_S	1.068	1.00
180_L	305_I	1.066	1.00
267_Y	276_L	1.062	1.00
99_S	102_F	1.062	1.00
177_E	182_N	1.060	1.00
20_T	67_I	1.059	1.00
145_K	168_D	1.056	1.00
108_D	146_A	1.054	1.00
40_L	286_L	1.054	1.00
248_L	259_I	1.052	1.00
124_I	140_L	1.033	1.00
246_N	249_A	1.030	1.00
159_L	163_K	1.025	1.00
42_R	70_V	1.025	1.00
8_K	172_D	1.024	1.00
50_T	80_V	1.024	1.00
250_P	253_E	1.019	1.00
98_N	124_I	1.017	1.00
39_E	283_A	1.016	1.00
143_M	148_K	1.008	1.00
5_K	10_D	1.003	1.00
261_H	291_K	1.001	1.00
268_L	292_T	0.995	1.00
144_K	169_G	0.982	1.00
100_P	135_E	0.978	1.00
180_L	263_V	0.978	1.00
71_L	79_V	0.972	1.00
194_K	272_E	0.962	1.00
14_F	50_T	0.957	1.00
154_V	171_V	0.957	1.00
138_N	142_E	0.952	1.00
187_K	191_P	0.948	1.00
134_D	164_E	0.947	1.00
173_V	201_I	0.947	1.00
69_E	73_E	0.943	1.00
201_I	275_I	0.942	1.00
191_P	194_K	0.933	1.00
261_H	288_D	0.930	1.00
15_P	268_L	0.925	1.00
120_D	150_R	0.925	1.00
9_S	172_D	0.921	1.00
286_L	290_I	0.919	1.00
64_E	113_R	0.911	1.00
65_E	112_K	0.909	1.00
288_D	291_K	0.906	1.00
152_I	171_V	0.906	1.00
143_M	146_A	0.903	1.00
14_F	49_V	0.901	1.00
154_V	162_L	0.899	1.00
41_V	52_L	0.896	1.00
284_D	288_D	0.896	1.00
104_K	107_V	0.895	1.00
56_Y	89_K	0.886	1.00
39_E	42_R	0.878	1.00
139_A	143_M	0.876	1.00
174_L	193_T	0.873	1.00
15_P	293_A	0.871	1.00
105_K	108_D	0.868	1.00
269_A	296_T	0.867	1.00
282_R	285_Q	0.864	1.00
88_R	97_D	0.861	1.00
82_A	201_I	0.857	1.00
104_K	143_M	0.857	1.00
56_Y	102_F	0.854	1.00
300_E	303_S	0.854	1.00
141_N	152_I	0.853	1.00
138_N	141_N	0.850	1.00
300_E	304_F	0.850	1.00
264_L	292_T	0.846	1.00
254_K	298_S	0.841	1.00
303_S	306_D	0.836	1.00
251_I	255_H	0.830	1.00
82_A	121_L	0.827	1.00
141_N	168_D	0.824	1.00
270_R	302_I	0.823	1.00
45_I	75_N	0.821	1.00
255_H	298_S	0.820	1.00
9_S	144_K	0.805	1.00
192_Y	195_E	0.805	1.00
34_E	62_R	0.804	1.00
199_S	274_D	0.802	1.00
164_E	167_K	0.798	1.00
18_L	44_A	0.786	1.00
190_F	200_F	0.784	1.00
162_L	198_I	0.781	1.00
263_V	267_Y	0.781	1.00
56_Y	113_R	0.779	1.00
183_R	306_D	0.778	1.00
156_N	203_Y	0.773	1.00
178_Y	190_F	0.768	1.00
20_T	63_S	0.763	1.00
269_A	299_Q	0.761	1.00
47_N	291_K	0.759	1.00
111_L	148_K	0.759	1.00
216_T	249_A	0.750	1.00
18_L	23_V	0.747	1.00
83_T	122_F	0.742	1.00
43_E	286_L	0.742	1.00
137_V	165_A	0.740	1.00
159_L	189_F	0.739	1.00
45_I	74_F	0.734	1.00
54_T	67_I	0.732	1.00
111_L	116_T	0.731	1.00
126_F	156_N	0.727	1.00
56_Y	109_E	0.724	1.00
205_P	278_P	0.722	1.00
35_E	38_K	0.720	1.00
297_L	302_I	0.712	1.00
137_V	171_V	0.709	1.00
202_P	276_L	0.702	1.00
181_L	245_V	0.700	1.00
265_A	292_T	0.699	1.00
189_F	193_T	0.698	1.00
77_E	118_Y	0.696	1.00
17_G	278_P	0.696	1.00
257_V	294_D	0.695	1.00
45_I	52_L	0.694	1.00
37_G	66_L	0.693	1.00
154_V	157_F	0.692	1.00
16_I	268_L	0.691	1.00
159_L	188_T	0.691	1.00
137_V	152_I	0.688	1.00
183_R	187_K	0.687	1.00
253_E	256_N	0.687	1.00
49_V	290_I	0.687	1.00
42_R	75_N	0.686	1.00
202_P	205_P	0.686	1.00
193_T	198_I	0.684	1.00
281_K	285_Q	0.684	1.00
107_V	148_K	0.678	1.00
98_N	136_A	0.677	1.00
251_I	301_D	0.677	1.00
106_S	109_E	0.677	1.00
242_I	246_N	0.672	1.00
266_W	306_D	0.672	1.00
183_R	186_E	0.669	1.00
103_L	136_A	0.668	1.00
186_E	191_P	0.663	1.00
103_L	143_M	0.663	1.00
50_T	78_D	0.660	1.00
257_V	291_K	0.657	1.00
255_H	262_I	0.655	1.00
40_L	283_A	0.655	1.00
243_R	246_N	0.653	1.00
190_F	270_R	0.653	1.00
57_I	86_A	0.650	1.00
41_V	45_I	0.646	1.00
260_P	288_D	0.646	1.00
11_L	150_R	0.645	1.00
267_Y	272_E	0.643	1.00
154_V	174_L	0.638	1.00
110_S	122_F	0.636	1.00
248_L	305_I	0.635	1.00
262_I	297_L	0.635	1.00
23_V	40_L	0.634	1.00
248_L	263_V	0.633	1.00
178_Y	267_Y	0.632	1.00
163_K	166_N	0.630	1.00
47_N	286_L	0.630	1.00
123_Y	153_G	0.628	1.00
243_R	247_K	0.619	1.00
262_I	295_V	0.619	1.00
107_V	111_L	0.616	1.00
247_K	308_L	0.616	1.00
285_Q	288_D	0.615	1.00
161_Q	164_E	0.614	1.00
70_V	74_F	0.614	1.00
144_K	151_S	0.612	1.00
141_N	170_L	0.612	1.00
136_A	139_A	0.611	1.00
257_V	265_A	0.609	1.00
40_L	280_A	0.608	1.00
205_P	267_Y	0.607	1.00
144_K	149_I	0.607	1.00
217_E	246_N	0.605	1.00
140_L	144_K	0.604	1.00
190_F	272_E	0.603	1.00
132_P	135_E	0.601	1.00
133_K	136_A	0.600	1.00
21_N	204_F	0.599	1.00
36_T	283_A	0.599	1.00
252_A	262_I	0.597	1.00
85_A	98_N	0.594	1.00
242_I	245_V	0.594	1.00
178_Y	200_F	0.594	1.00
75_N	79_V	0.593	1.00
251_I	304_F	0.591	1.00
103_L	139_A	0.591	1.00
119_I	122_F	0.591	1.00
252_A	259_I	0.588	1.00
104_K	148_K	0.587	1.00
301_D	304_F	0.587	1.00
13_V	275_I	0.586	1.00
17_G	275_I	0.581	1.00
46_R	283_A	0.579	1.00
297_L	301_D	0.578	1.00
134_D	138_N	0.577	1.00
111_L	119_I	0.577	1.00
22_A	208_S	0.575	1.00
45_I	50_T	0.573	1.00
262_I	301_D	0.573	1.00
212_A	215_Y	0.571	1.00
25_G	66_L	0.569	1.00
245_V	249_A	0.567	1.00
213_G	216_T	0.564	1.00
216_T	246_N	0.563	1.00
166_N	198_I	0.561	1.00
62_R	66_L	0.559	1.00
53_D	175_Q	0.558	1.00
23_V	37_G	0.558	1.00
204_F	208_S	0.557	1.00
89_K	102_F	0.554	1.00
45_I	78_D	0.554	1.00
41_V	67_I	0.554	1.00
268_L	276_L	0.553	1.00
252_A	255_H	0.552	1.00
124_I	136_A	0.549	1.00
97_D	102_F	0.548	1.00
99_S	136_A	0.546	1.00
122_F	149_I	0.545	1.00
248_L	252_A	0.544	1.00
111_L	118_Y	0.540	1.00
160_E	163_K	0.540	1.00
8_K	197_N	0.537	1.00
178_Y	183_R	0.537	1.00
6_L	199_S	0.537	1.00
262_I	305_I	0.536	1.00
122_F	140_L	0.536	1.00
13_V	51_M	0.534	1.00
54_T	63_S	0.533	1.00
85_A	106_S	0.533	1.00
176_G	189_F	0.532	1.00
261_H	295_V	0.530	1.00
178_Y	272_E	0.530	1.00
111_L	117_D	0.526	1.00
128_D	131_T	0.526	1.00
154_V	165_A	0.525	1.00
45_I	70_V	0.525	1.00
52_L	71_L	0.523	1.00
18_L	40_L	0.521	1.00
56_Y	86_A	0.520	1.00
17_G	277_I	0.519	1.00
107_V	139_A	0.519	1.00
34_E	66_L	0.519	1.00
87_H	98_N	0.519	1.00
180_L	266_W	0.518	1.00
255_H	295_V	0.517	1.00
6_L	9_S	0.517	1.00
59_G	62_R	0.515	1.00
87_H	126_F	0.513	1.00
251_I	308_L	0.510	1.00
165_A	171_V	0.508	1.00
127_P	157_F	0.507	1.00
100_P	103_L	0.507	1.00
133_K	161_Q	0.506	1.00
283_A	286_L	0.506	1.00
251_I	254_K	0.505	1.00
64_E	83_T	0.502	1.00
265_A	296_T	0.501	1.00
84_K	125_H	0.500	1.00
51_M	80_V	0.500	1.00

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
1pyfA	1	0.9968	100	0.054	Contact Map
1pz1A	1	0.9968	100	0.069	Contact Map
3v0sA	1	0.871	100	0.078	Contact Map
3n2tA	1	0.9903	100	0.079	Contact Map
4xk2A	5	0.9194	100	0.086	Contact Map
3erpA	6	0.9226	100	0.109	Contact Map
1lqaA	2	0.9806	100	0.111	Contact Map
3eauA	3	0.9742	100	0.114	Contact Map
3n6qA	5	0.9226	100	0.117	Contact Map
3lutA	3	0.971	100	0.119	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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