IOLE - BACSU - GREMLIN Contacts

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IOLE - Inosose dehydratase

UniProt:	P42416	Sequences: MGKNEILWGIAPIGWRNDDMPEIGAGNTLQHLLSDIVVARFQGTEVGGFFPEPAILNKELKLRNLRIAGKWFSSFILRDGLGEAAKTFTLHCEYLQQVNADVAVVSEQTYSVQSLEKNVFTEKPHFTDDEWERLCEGLNHLGEIAAQHGLKLVYHHHLGTGVQTAEEVDRLMAGTDPAHVHLLYDTGHAYISDGDYMGMLEKHIGRIKHVHFKDARLNVMEQCRLEGQSFRQSFLKGMFTVPGDGCIDFREVYQLLLKHSYSGWIVIEAEQDPDVANPLEYALIARNYIDQQLLDLA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	297 (238)
Sequences:	13895 (9889)
Seq/√Len:	641.0

ECOLI - ULAE FRLC SGBU YCJR YIHM HYI YGBM
BACSU - IOLE IOLI YFIH IOLH
SULSO - Q97UI8 Q97UG9 Q97UI3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
89_T	144_I	3.183	1.00
181_H	208_K	2.976	1.00
34_S	63_R	2.884	1.00
248_D	251_E	2.834	1.00
57_N	61_K	2.735	1.00
43_G	264_W	2.619	1.00
201_E	255_L	2.496	1.00
135_C	174_G	2.451	1.00
93_E	148_H	2.417	1.00
30_Q	59_E	2.341	1.00
58_K	62_L	2.258	1.00
151_K	181_H	2.236	1.00
93_E	144_I	2.233	1.00
151_K	208_K	2.173	1.00
96_Q	148_H	2.155	1.00
28_T	31_H	2.144	1.00
169_D	202_K	2.086	1.00
153_V	208_K	2.083	1.00
143_E	177_P	2.024	1.00
214_D	243_G	2.024	1.00
255_L	258_K	1.969	1.00
283_L	287_N	1.924	1.00
170_R	174_G	1.916	1.00
131_W	170_R	1.905	1.00
34_S	38_V	1.899	1.00
85_A	140_H	1.854	1.00
60_L	67_I	1.816	1.00
59_E	63_R	1.802	1.00
54_A	97_Q	1.770	1.00
102_V	153_V	1.767	1.00
195_D	198_G	1.764	1.00
59_E	62_L	1.754	1.00
277_N	280_E	1.752	1.00
142_G	180_V	1.745	1.00
92_C	148_H	1.711	1.00
201_E	258_K	1.708	1.00
250_R	254_Q	1.692	1.00
144_I	147_Q	1.679	1.00
164_T	167_E	1.663	1.00
146_A	179_H	1.637	1.00
131_W	174_G	1.625	1.00
52_E	55_I	1.620	1.00
53_P	97_Q	1.606	1.00
169_D	173_A	1.604	1.00
210_V	256_L	1.583	1.00
197_M	251_E	1.545	1.00
144_I	148_H	1.544	1.00
80_G	83_E	1.540	1.00
135_C	139_N	1.537	1.00
153_V	183_L	1.526	1.00
92_C	145_A	1.524	1.00
37_V	63_R	1.511	1.00
86_K	90_L	1.489	1.00
30_Q	62_L	1.470	1.00
95_L	100_A	1.462	1.00
35_D	38_V	1.454	1.00
129_D	132_E	1.451	1.00
198_G	202_K	1.446	1.00
143_E	147_Q	1.442	1.00
254_Q	258_K	1.434	1.00
82_G	86_K	1.430	1.00
39_A	286_R	1.425	1.00
244_D	284_I	1.416	1.00
55_I	58_K	1.389	1.00
126_F	129_D	1.385	1.00
132_E	174_G	1.361	1.00
132_E	136_E	1.356	1.00
255_L	259_H	1.355	1.00
136_E	139_N	1.353	1.00
142_G	175_T	1.351	1.00
33_L	63_R	1.346	1.00
90_L	93_E	1.346	1.00
204_I	259_H	1.338	1.00
34_S	59_E	1.337	1.00
35_D	279_L	1.331	1.00
31_H	34_S	1.328	1.00
89_T	140_H	1.317	1.00
186_T	252_V	1.315	1.00
181_H	206_R	1.314	1.00
81_L	137_G	1.295	1.00
102_V	151_K	1.292	1.00
86_K	89_T	1.289	1.00
92_C	144_I	1.284	1.00
55_I	59_E	1.263	1.00
280_E	284_I	1.243	1.00
146_A	177_P	1.221	1.00
168_V	182_L	1.220	1.00
89_T	93_E	1.219	1.00
85_A	89_T	1.218	1.00
163_Q	167_E	1.212	1.00
135_C	175_T	1.205	1.00
57_N	97_Q	1.191	1.00
146_A	178_A	1.183	1.00
149_G	179_H	1.182	1.00
251_E	255_L	1.177	1.00
133_R	136_E	1.173	1.00
214_D	245_G	1.171	1.00
197_M	201_E	1.165	1.00
82_G	140_H	1.161	1.00
30_Q	55_I	1.161	1.00
33_L	60_L	1.157	1.00
37_V	64_N	1.156	1.00
145_A	152_L	1.153	1.00
169_D	206_R	1.152	1.00
58_K	61_K	1.150	1.00
169_D	203_H	1.146	1.00
173_A	206_R	1.144	1.00
89_T	147_Q	1.137	1.00
201_E	259_H	1.136	1.00
35_D	39_A	1.122	1.00
54_A	58_K	1.106	1.00
140_H	143_E	1.101	1.00
46_V	67_I	1.097	1.00
51_P	97_Q	1.096	1.00
41_F	267_I	1.089	1.00
43_G	66_R	1.069	1.00
92_C	150_L	1.067	1.00
184_Y	189_A	1.061	1.00
93_E	97_Q	1.052	1.00
241_V	244_D	1.051	1.00
198_G	201_E	1.049	1.00
88_F	141_L	1.030	1.00
170_R	173_A	1.026	1.00
43_G	68_A	1.023	1.00
279_L	283_L	1.017	1.00
30_Q	34_S	1.009	1.00
89_T	148_H	1.008	1.00
33_L	59_E	1.003	1.00
284_I	287_N	0.995	1.00
38_V	279_L	0.988	1.00
199_M	203_H	0.985	1.00
166_E	202_K	0.979	1.00
53_P	94_Y	0.978	1.00
284_I	288_Y	0.972	1.00
157_H	160_T	0.965	1.00
60_L	65_L	0.962	1.00
139_N	143_E	0.959	1.00
139_N	175_T	0.959	1.00
41_F	286_R	0.959	1.00
247_I	252_V	0.958	1.00
156_H	189_A	0.955	1.00
36_I	44_T	0.955	1.00
280_E	283_L	0.955	1.00
256_L	259_H	0.955	1.00
142_G	179_H	0.947	1.00
93_E	96_Q	0.947	1.00
143_E	146_A	0.944	1.00
200_L	255_L	0.941	1.00
78_R	82_G	0.939	1.00
101_D	151_K	0.934	1.00
200_L	259_H	0.934	1.00
131_W	135_C	0.931	1.00
45_E	69_G	0.931	1.00
53_P	57_N	0.930	1.00
197_M	255_L	0.924	1.00
129_D	133_R	0.911	1.00
155_H	268_E	0.903	1.00
83_E	86_K	0.903	1.00
34_S	62_L	0.899	1.00
139_N	176_D	0.899	1.00
128_D	132_E	0.892	1.00
242_P	285_A	0.890	1.00
281_Y	284_I	0.888	1.00
142_G	177_P	0.882	1.00
175_T	180_V	0.880	1.00
96_Q	150_L	0.877	1.00
131_W	167_E	0.873	1.00
60_L	63_R	0.872	1.00
102_V	208_K	0.867	1.00
151_K	179_H	0.865	1.00
54_A	57_N	0.856	1.00
139_N	177_P	0.856	1.00
276_A	280_E	0.852	1.00
127_T	130_E	0.851	1.00
27_N	35_D	0.850	1.00
138_L	180_V	0.849	1.00
37_V	42_Q	0.840	1.00
85_A	137_G	0.833	1.00
81_L	136_E	0.833	1.00
53_P	98_V	0.832	1.00
87_T	90_L	0.831	1.00
165_A	202_K	0.831	1.00
253_Y	257_L	0.830	1.00
68_A	264_W	0.825	1.00
172_M	206_R	0.822	1.00
165_A	194_G	0.818	1.00
260_S	263_G	0.815	1.00
216_R	240_T	0.809	1.00
185_D	268_E	0.809	1.00
95_L	103_A	0.808	1.00
67_I	100_A	0.804	1.00
182_L	203_H	0.804	1.00
166_E	170_R	0.795	1.00
212_F	265_I	0.795	1.00
212_F	249_F	0.795	1.00
251_E	254_Q	0.793	1.00
33_L	44_T	0.788	1.00
57_N	99_N	0.775	1.00
103_A	145_A	0.766	1.00
190_Y	246_C	0.764	1.00
136_E	140_H	0.763	1.00
45_E	209_H	0.762	1.00
141_L	152_L	0.761	1.00
186_T	249_F	0.757	1.00
42_Q	66_R	0.757	1.00
128_D	170_R	0.756	1.00
188_H	213_K	0.753	1.00
217_L	246_C	0.752	1.00
213_K	270_E	0.752	1.00
176_D	179_H	0.750	1.00
66_R	264_W	0.749	1.00
249_F	253_Y	0.748	1.00
66_R	101_D	0.748	1.00
278_P	281_Y	0.746	1.00
216_R	246_C	0.739	1.00
190_Y	196_Y	0.739	1.00
41_F	282_A	0.737	1.00
27_N	31_H	0.736	1.00
277_N	281_Y	0.735	1.00
36_I	41_F	0.735	1.00
200_L	203_H	0.729	1.00
216_R	238_M	0.721	1.00
139_N	174_G	0.720	1.00
32_L	36_I	0.719	1.00
127_T	167_E	0.717	1.00
155_H	211_H	0.715	1.00
187_G	213_K	0.715	1.00
253_Y	265_I	0.714	1.00
104_V	183_L	0.713	1.00
70_K	95_L	0.713	1.00
105_V	152_L	0.711	1.00
133_R	137_G	0.709	1.00
78_R	81_L	0.707	1.00
48_G	51_P	0.701	1.00
45_E	266_V	0.700	1.00
142_G	146_A	0.699	1.00
187_G	215_A	0.696	1.00
31_H	35_D	0.692	1.00
156_H	168_V	0.689	1.00
200_L	207_I	0.685	1.00
184_Y	200_L	0.683	1.00
184_Y	199_M	0.680	1.00
137_G	140_H	0.679	1.00
145_A	150_L	0.678	1.00
167_E	170_R	0.677	1.00
212_F	289_I	0.677	1.00
90_L	94_Y	0.677	1.00
172_M	182_L	0.676	1.00
189_A	199_M	0.675	1.00
94_Y	98_V	0.673	1.00
30_Q	63_R	0.672	1.00
138_L	171_L	0.668	1.00
282_A	286_R	0.665	1.00
200_L	252_V	0.660	1.00
81_L	133_R	0.658	1.00
200_L	204_I	0.658	1.00
83_E	87_T	0.654	1.00
51_P	54_A	0.650	1.00
71_W	106_S	0.646	1.00
209_H	266_V	0.641	1.00
275_V	281_Y	0.641	1.00
79_D	83_E	0.640	1.00
34_S	37_V	0.637	1.00
143_E	179_H	0.636	1.00
172_M	176_D	0.636	1.00
183_L	209_H	0.636	1.00
95_L	150_L	0.634	1.00
275_V	278_P	0.631	1.00
99_N	150_L	0.624	1.00
33_L	65_L	0.624	1.00
283_L	286_R	0.622	1.00
241_V	281_Y	0.619	1.00
140_H	144_I	0.617	1.00
50_F	53_P	0.614	1.00
85_A	141_L	0.613	1.00
130_E	133_R	0.611	1.00
24_G	39_A	0.610	1.00
165_A	169_D	0.609	1.00
204_I	207_I	0.601	1.00
84_A	87_T	0.598	1.00
210_V	265_I	0.597	1.00
190_Y	247_I	0.593	1.00
91_H	103_A	0.593	1.00
102_V	209_H	0.592	1.00
135_C	171_L	0.592	1.00
61_K	97_Q	0.591	1.00
37_V	65_L	0.588	1.00
209_H	261_Y	0.586	1.00
171_L	175_T	0.586	1.00
239_F	242_P	0.585	1.00
285_A	289_I	0.585	1.00
162_V	171_L	0.583	1.00
134_L	138_L	0.582	1.00
205_G	259_H	0.581	1.00
39_A	283_L	0.576	1.00
33_L	56_L	0.576	1.00
56_L	59_E	0.575	1.00
257_L	265_I	0.572	1.00
204_I	255_L	0.572	1.00
267_I	285_A	0.572	1.00
158_L	161_G	0.569	1.00
162_V	168_V	0.567	1.00
256_L	261_Y	0.567	1.00
285_A	288_Y	0.567	1.00
70_K	73_S	0.567	1.00
78_R	133_R	0.566	1.00
132_E	135_C	0.564	1.00
61_K	99_N	0.564	1.00
210_V	252_V	0.562	1.00
276_A	284_I	0.559	1.00
134_L	171_L	0.555	1.00
242_P	288_Y	0.554	1.00
85_A	88_F	0.553	1.00
153_V	181_H	0.552	1.00
209_H	264_W	0.551	1.00
157_H	161_G	0.551	1.00
125_H	130_E	0.550	1.00
169_D	172_M	0.550	1.00
33_L	37_V	0.549	1.00
240_T	244_D	0.549	1.00
85_A	144_I	0.548	1.00
101_D	149_G	0.547	1.00
96_Q	149_G	0.544	1.00
189_A	194_G	0.544	1.00
38_V	283_L	0.544	1.00
176_D	206_R	0.538	0.99
70_K	100_A	0.538	0.99
105_V	138_L	0.538	0.99
91_H	95_L	0.537	0.99
104_V	153_V	0.536	0.99
69_G	104_V	0.534	0.99
29_L	56_L	0.531	0.99
94_Y	97_Q	0.530	0.99
186_T	210_V	0.529	0.99
220_M	238_M	0.528	0.99
74_S	77_L	0.528	0.99
200_L	256_L	0.526	0.99
24_G	27_N	0.525	0.99
145_A	148_H	0.524	0.99
156_H	162_V	0.522	0.99
71_W	104_V	0.522	0.99
212_F	253_Y	0.520	0.99
79_D	82_G	0.519	0.99
211_H	268_E	0.516	0.99
185_D	213_K	0.515	0.99
213_K	239_F	0.514	0.99
82_G	85_A	0.513	0.99
276_A	281_Y	0.512	0.99
211_H	266_V	0.512	0.99
57_N	98_V	0.511	0.99
72_F	75_F	0.510	0.99
68_A	266_V	0.509	0.99
73_S	91_H	0.508	0.99
93_E	147_Q	0.505	0.99
190_Y	194_G	0.505	0.99
165_A	198_G	0.504	0.99
182_L	207_I	0.500	0.99

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
3cnyA	1	0.9933	100	0.256	Contact Map
2zdsA	5	0.9461	100	0.282	Contact Map
3dx5A	2	0.8889	100	0.287	Contact Map
1i60A	1	0.8788	100	0.294	Contact Map
4ovxA	1	0.8485	100	0.297	Contact Map
3u0hA	3	0.8754	100	0.298	Contact Map
3cqjA	2	0.862	100	0.308	Contact Map
3tvaA	1	0.8721	100	0.318	Contact Map
3kwsA	2	0.8451	100	0.32	Contact Map
3wqoA	2	0.8418	100	0.32	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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