Q97UR1 - SULSO - GREMLIN Contacts

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Q97UR1 - 2-hydroxyhepta-2 ,4-diene-1,7-dioate isomerase (HpcE-3)

UniProt:	Q97UR1	Sequences: MVRYVSFYVGNLRKIGVVEGNYVYEISEIGKEEERGNSYRLDEINVDIPIQPSAIICTLVNSPKMVGVNDKNEAKEMVKSPKFFIKLPTVAIAHRQPIISPPDAIRPEVEIGVITRFKMKDVSRSDVKKYILGYTVFNDITYPPGLKEDSYYAMRRDPTDGNVKKLLMRGTHFRNKVRDTFAPIGPYIVTEEEIGDVNSLRMRSYYNGELVQDGYSSEFIFSIEEILSELSKIVTIPPFSVISTGSIGYTNVSDASEFNLKPIESALMVAEVEKIGRLENPIKIYKSS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	288 (256)
Sequences:	7669 (5187)
Seq/√Len:	324.2

ECOLI - YCGM
BACSU - YISK
HALSA - Q9HQR6
SULSO - Q97UR1 Q97V63 Q97VT9 KDAD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
137_F	243_S	3.605	1.00
207_N	264_E	3.602	1.00
201_R	213_D	3.331	1.00
123_S	126_D	2.980	1.00
271_E	277_R	2.910	1.00
269_V	279_E	2.877	1.00
205_Y	210_L	2.802	1.00
222_S	225_E	2.767	1.00
124_R	228_S	2.717	1.00
112_G	137_F	2.678	1.00
119_M	122_V	2.627	1.00
269_V	277_R	2.588	1.00
124_R	225_E	2.559	1.00
109_V	204_S	2.463	1.00
128_K	131_I	2.459	1.00
126_D	129_K	2.386	1.00
203_R	213_D	2.364	1.00
203_R	271_E	2.353	1.00
97_P	281_P	2.329	1.00
210_L	213_D	2.288	1.00
119_M	130_Y	2.281	1.00
201_R	273_E	2.255	1.00
267_L	279_E	2.213	1.00
205_Y	269_V	2.149	1.00
184_I	241_V	2.136	1.00
7_F	16_G	2.104	1.00
118_K	237_P	2.071	1.00
122_V	130_Y	2.070	1.00
179_D	235_T	2.038	1.00
124_R	222_S	1.938	1.00
214_G	218_E	1.903	1.00
109_V	270_A	1.874	1.00
205_Y	271_E	1.840	1.00
118_K	238_P	1.838	1.00
5_V	18_V	1.836	1.00
8_Y	45_N	1.831	1.00
206_Y	260_L	1.777	1.00
134_Y	191_E	1.762	1.00
211_V	258_F	1.745	1.00
97_P	283_K	1.740	1.00
201_R	215_Y	1.714	1.00
16_G	23_V	1.709	1.00
89_T	237_P	1.706	1.00
92_I	96_Q	1.705	1.00
99_I	180_T	1.702	1.00
107_P	211_V	1.649	1.00
112_G	135_T	1.648	1.00
22_Y	38_S	1.621	1.00
194_I	200_L	1.602	1.00
109_V	202_M	1.593	1.00
128_K	224_E	1.579	1.00
100_S	105_I	1.574	1.00
87_L	177_V	1.557	1.00
113_V	223_I	1.536	1.00
93_A	96_Q	1.522	1.00
137_F	182_A	1.519	1.00
136_V	272_V	1.505	1.00
112_G	243_S	1.477	1.00
120_K	179_D	1.472	1.00
14_K	25_E	1.444	1.00
203_R	210_L	1.443	1.00
132_L	188_I	1.443	1.00
64_K	248_G	1.439	1.00
58_T	83_F	1.438	1.00
112_G	241_V	1.436	1.00
206_Y	211_V	1.432	1.00
83_F	230_L	1.413	1.00
254_D	258_F	1.404	1.00
209_E	258_F	1.401	1.00
40_R	43_E	1.400	1.00
45_N	96_Q	1.393	1.00
53_S	237_P	1.393	1.00
199_S	215_Y	1.386	1.00
64_K	218_E	1.363	1.00
115_T	227_L	1.361	1.00
199_S	217_S	1.360	1.00
111_I	272_V	1.337	1.00
23_V	44_I	1.330	1.00
262_P	283_K	1.325	1.00
55_I	182_A	1.317	1.00
135_T	184_I	1.316	1.00
211_V	254_D	1.305	1.00
99_I	283_K	1.299	1.00
205_Y	277_R	1.284	1.00
13_R	47_D	1.263	1.00
58_T	226_I	1.260	1.00
198_N	224_E	1.256	1.00
182_A	243_S	1.220	1.00
145_G	178_R	1.214	1.00
85_I	173_F	1.213	1.00
267_L	281_P	1.197	1.00
103_D	144_P	1.195	1.00
117_F	129_K	1.190	1.00
104_A	144_P	1.181	1.00
98_I	268_M	1.164	1.00
19_E	22_Y	1.163	1.00
98_I	140_I	1.161	1.00
5_V	23_V	1.161	1.00
196_D	199_S	1.157	1.00
90_V	182_A	1.151	1.00
113_V	242_I	1.148	1.00
198_N	222_S	1.139	1.00
48_I	91_A	1.138	1.00
190_T	193_E	1.132	1.00
114_I	188_I	1.131	1.00
100_S	262_P	1.126	1.00
95_R	279_E	1.113	1.00
92_I	180_T	1.104	1.00
5_V	46_V	1.095	1.00
58_T	230_L	1.083	1.00
198_N	219_F	1.079	1.00
138_N	280_N	1.071	1.00
195_G	274_K	1.066	1.00
135_T	275_I	1.064	1.00
105_I	282_I	1.058	1.00
124_R	224_E	1.058	1.00
63_P	71_K	1.057	1.00
63_P	78_V	1.056	1.00
106_R	143_P	1.053	1.00
137_F	184_I	1.043	1.00
140_I	183_P	1.041	1.00
200_L	272_V	1.035	1.00
117_F	130_Y	1.031	1.00
5_V	16_G	1.029	1.00
189_V	275_I	1.029	1.00
173_F	177_V	1.023	1.00
8_Y	13_R	1.019	1.00
228_S	232_K	1.019	1.00
136_V	270_A	1.005	1.00
8_Y	47_D	1.003	1.00
5_V	187_Y	0.992	1.00
22_Y	40_R	0.989	1.00
142_Y	181_F	0.982	1.00
60_V	75_K	0.976	1.00
221_F	225_E	0.975	1.00
46_V	94_H	0.973	1.00
111_I	216_S	0.970	1.00
251_N	256_S	0.967	1.00
252_V	259_N	0.965	1.00
56_I	234_V	0.956	1.00
90_V	235_T	0.943	1.00
136_V	275_I	0.942	1.00
18_V	187_Y	0.940	1.00
204_S	270_A	0.940	1.00
149_D	169_R	0.935	1.00
118_K	235_T	0.921	1.00
95_R	278_L	0.909	1.00
123_S	228_S	0.903	1.00
7_F	44_I	0.902	1.00
116_R	132_L	0.897	1.00
49_P	135_T	0.895	1.00
56_I	230_L	0.892	1.00
76_E	79_K	0.890	1.00
254_D	257_E	0.888	1.00
225_E	228_S	0.885	1.00
28_E	32_E	0.876	1.00
62_S	244_T	0.872	1.00
208_G	269_V	0.872	1.00
65_M	143_P	0.867	1.00
129_K	191_E	0.867	1.00
82_K	172_H	0.866	1.00
118_K	130_Y	0.864	1.00
100_S	282_I	0.863	1.00
48_I	94_H	0.862	1.00
77_M	220_I	0.860	1.00
115_T	236_I	0.860	1.00
18_V	41_L	0.860	1.00
114_I	135_T	0.857	1.00
9_V	12_L	0.857	1.00
30_G	33_E	0.848	1.00
206_Y	268_M	0.847	1.00
102_P	121_D	0.846	1.00
131_I	223_I	0.841	1.00
120_K	235_T	0.840	1.00
98_I	282_I	0.837	1.00
203_R	273_E	0.825	1.00
101_P	181_F	0.825	1.00
118_K	122_V	0.822	1.00
178_R	233_I	0.821	1.00
187_Y	275_I	0.821	1.00
28_E	31_K	0.821	1.00
134_Y	197_V	0.816	1.00
122_V	228_S	0.816	1.00
94_H	278_L	0.815	1.00
24_Y	38_S	0.815	1.00
48_I	93_A	0.814	1.00
29_I	33_E	0.813	1.00
105_I	181_F	0.812	1.00
39_Y	44_I	0.804	1.00
9_V	14_K	0.802	1.00
57_C	243_S	0.802	1.00
133_G	188_I	0.800	1.00
19_E	24_Y	0.799	1.00
80_S	148_E	0.796	1.00
63_P	77_M	0.793	1.00
41_L	46_V	0.788	1.00
81_P	226_I	0.787	1.00
226_I	244_T	0.787	1.00
121_D	232_K	0.783	1.00
56_I	85_I	0.783	1.00
60_V	73_E	0.781	1.00
113_V	227_L	0.780	1.00
128_K	198_N	0.777	1.00
143_P	146_L	0.777	1.00
25_E	39_Y	0.774	1.00
78_V	221_F	0.772	1.00
33_E	37_N	0.771	1.00
112_G	184_I	0.770	1.00
200_L	216_S	0.767	1.00
201_R	217_S	0.766	1.00
31_K	34_E	0.761	0.99
204_S	268_M	0.759	0.99
7_F	25_E	0.755	0.99
113_V	134_Y	0.754	0.99
6_S	15_I	0.753	0.99
60_V	66_V	0.746	0.99
208_G	267_L	0.743	0.99
66_V	77_M	0.743	0.99
54_A	87_L	0.740	0.99
54_A	179_D	0.732	0.99
31_K	35_R	0.732	0.99
104_A	259_N	0.726	0.99
173_F	178_R	0.720	0.99
6_S	47_D	0.716	0.99
236_I	242_I	0.716	0.99
9_V	39_Y	0.716	0.99
250_T	253_S	0.714	0.99
141_T	146_L	0.713	0.99
227_L	242_I	0.712	0.99
138_N	268_M	0.712	0.99
202_M	214_G	0.709	0.99
228_S	231_S	0.706	0.99
7_F	23_V	0.705	0.99
140_I	260_L	0.703	0.99
51_Q	237_P	0.701	0.99
54_A	85_I	0.699	0.99
98_I	280_N	0.699	0.99
3_R	187_Y	0.694	0.99
101_P	178_R	0.693	0.99
50_I	188_I	0.691	0.99
127_V	131_I	0.690	0.99
52_P	91_A	0.689	0.99
65_M	146_L	0.686	0.99
54_A	88_P	0.685	0.99
109_V	136_V	0.685	0.99
219_F	226_I	0.677	0.99
7_F	14_K	0.675	0.99
98_I	180_T	0.673	0.99
86_K	182_A	0.672	0.99
75_K	147_K	0.669	0.99
14_K	27_S	0.668	0.99
29_I	32_E	0.667	0.99
17_V	26_I	0.666	0.99
65_M	250_T	0.661	0.99
66_V	220_I	0.660	0.99
71_K	77_M	0.660	0.99
99_I	120_K	0.658	0.99
98_I	181_F	0.652	0.98
135_T	185_G	0.651	0.98
100_S	261_K	0.650	0.98
140_I	282_I	0.650	0.98
95_R	281_P	0.649	0.98
119_M	227_L	0.649	0.98
224_E	228_S	0.643	0.98
104_A	147_K	0.639	0.98
32_E	36_G	0.638	0.98
113_V	131_I	0.638	0.98
142_Y	145_G	0.637	0.98
174_R	233_I	0.636	0.98
212_Q	249_Y	0.636	0.98
191_E	195_G	0.636	0.98
3_R	193_E	0.635	0.98
91_A	184_I	0.635	0.98
140_I	180_T	0.631	0.98
169_R	174_R	0.629	0.98
62_S	216_S	0.628	0.98
89_T	179_D	0.627	0.98
251_N	258_F	0.626	0.98
30_G	34_E	0.626	0.98
144_P	148_E	0.623	0.98
83_F	229_E	0.620	0.98
71_K	74_A	0.619	0.98
226_I	242_I	0.617	0.98
126_D	130_Y	0.616	0.98
19_E	38_S	0.616	0.98
117_F	238_P	0.613	0.98
128_K	134_Y	0.613	0.98
128_K	223_I	0.613	0.98
6_S	13_R	0.612	0.98
119_M	123_S	0.612	0.98
104_A	148_E	0.608	0.98
64_K	214_G	0.603	0.97
34_E	38_S	0.602	0.97
105_I	180_T	0.600	0.97
3_R	190_T	0.600	0.97
65_M	106_R	0.600	0.97
4_Y	190_T	0.597	0.97
3_R	18_V	0.596	0.97
63_P	218_E	0.595	0.97
184_I	243_S	0.594	0.97
5_V	9_V	0.594	0.97
114_I	241_V	0.589	0.97
268_M	282_I	0.589	0.97
60_V	82_K	0.587	0.97
140_I	280_N	0.586	0.97
111_I	134_Y	0.585	0.97
60_V	226_I	0.582	0.97
226_I	230_L	0.581	0.97
29_I	34_E	0.578	0.97
260_L	282_I	0.578	0.97
191_E	227_L	0.577	0.97
194_I	197_V	0.576	0.97
49_P	188_I	0.574	0.97
4_Y	132_L	0.574	0.97
7_F	39_Y	0.573	0.97
127_V	227_L	0.573	0.97
55_I	137_F	0.573	0.97
23_V	41_L	0.573	0.97
198_N	223_I	0.572	0.96
128_K	191_E	0.572	0.96
131_I	227_L	0.571	0.96
223_I	244_T	0.569	0.96
197_V	216_S	0.568	0.96
37_N	40_R	0.567	0.96
202_M	272_V	0.565	0.96
16_G	46_V	0.564	0.96
214_G	248_G	0.558	0.96
123_S	127_V	0.555	0.96
131_I	134_Y	0.554	0.96
197_V	200_L	0.553	0.96
63_P	220_I	0.552	0.96
136_V	278_L	0.551	0.96
79_K	221_F	0.548	0.96
176_K	232_K	0.547	0.95
264_E	267_L	0.544	0.95
189_V	194_I	0.543	0.95
53_S	89_T	0.543	0.95
218_E	248_G	0.542	0.95
33_E	36_G	0.542	0.95
205_Y	213_D	0.540	0.95
125_S	228_S	0.540	0.95
35_R	38_S	0.537	0.95
74_A	78_V	0.536	0.95
123_S	130_Y	0.535	0.95
25_E	38_S	0.535	0.95
35_R	39_Y	0.534	0.95
92_I	97_P	0.531	0.95
149_D	233_I	0.531	0.95
111_I	223_I	0.531	0.95
89_T	235_T	0.530	0.95
50_I	114_I	0.529	0.95
205_Y	208_G	0.526	0.94
48_I	184_I	0.526	0.94
54_A	89_T	0.524	0.94
46_V	187_Y	0.524	0.94
251_N	259_N	0.523	0.94
37_N	41_L	0.522	0.94
272_V	275_I	0.522	0.94
66_V	73_E	0.522	0.94
30_G	35_R	0.521	0.94
55_I	243_S	0.520	0.94
219_F	224_E	0.520	0.94
178_R	181_F	0.518	0.94
53_S	88_P	0.517	0.94
81_P	229_E	0.517	0.94
66_V	75_K	0.514	0.94
80_S	229_E	0.512	0.94
73_E	147_K	0.511	0.94
170_G	174_R	0.511	0.94
261_K	264_E	0.511	0.94
230_L	234_V	0.509	0.93
17_V	24_Y	0.508	0.93
80_S	149_D	0.508	0.93
18_V	23_V	0.508	0.93
230_L	242_I	0.508	0.93
80_S	221_F	0.507	0.93
74_A	77_M	0.507	0.93
40_R	44_I	0.506	0.93
148_E	229_E	0.505	0.93
60_V	77_M	0.505	0.93
227_L	231_S	0.504	0.93
225_E	229_E	0.501	0.93
8_Y	12_L	0.501	0.93
94_H	279_E	0.500	0.93

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
3r6oA	2	0.8403	100	0.221	Contact Map
4dbfA	2	0.8368	100	0.235	Contact Map
3rr6A	1	0.8507	100	0.24	Contact Map
1wzoA	4	0.8264	100	0.26	Contact Map
2dfuA	2	0.8264	100	0.275	Contact Map
3lzkA	2	0.9271	100	0.281	Contact Map
2q18X	3	0.8333	100	0.312	Contact Map
4qkuA	2	0.9236	100	0.313	Contact Map
1gttA	1	0.8576	100	0.331	Contact Map
1hyoA	2	0.9201	100	0.346	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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