DHBB - BACSU - GREMLIN Contacts

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DHBB - Isochorismatase

UniProt:	P45743	Sequences: MAIPAIQPYQMPTASDMPQNKVSWVPDPNRAVLLIHDMQNYFVDAFTAGASPVTELSANIRKLKNQCVQLGIPVVYTAQPGSQNPDDRALLTDFWGPGLNSGPYEEKIITELAPEDDDLVLTKWRYSAFKRTNLLEMMRKEGRDQLIITGIYAHIGCLVTACEAFMEDIKAFFVGDAVADFSLEKHQMALEYAAGRCAFTVMTDSLLDQLQNAPADVQKTSANTGKKNVFTCENIRKQIAELLQETPEDITDQEDLLDRGLDSVRIMTLVEQWRREGAEVTFVELAERPTIEEWQKLLTTRSQQVLPNADYL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	312 (248)
Sequences:	7509 (6935)
Seq/√Len:	440.4

ECOLI - ENTB
BACSU - DHBB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
214_P	217_V	3.120	1.00
281_T	284_E	2.977	1.00
137_M	141_E	2.776	1.00
132_T	167_E	2.739	1.00
192_Y	196_R	2.704	1.00
225_G	253_Q	2.575	1.00
148_I	173_F	2.573	1.00
115_E	118_D	2.434	1.00
231_T	299_T	2.408	1.00
199_F	202_M	2.391	1.00
255_D	258_D	2.313	1.00
235_I	273_W	2.300	1.00
253_Q	292_E	2.252	1.00
181_F	190_L	2.244	1.00
236_R	291_I	2.210	1.00
131_R	167_E	2.181	1.00
199_F	203_T	2.180	1.00
230_F	233_E	2.138	1.00
238_Q	269_L	2.099	1.00
109_I	112_L	2.083	1.00
126_Y	130_K	2.031	1.00
108_I	112_L	2.021	1.00
255_D	289_P	1.997	1.00
288_R	297_L	1.981	1.00
132_T	136_E	1.977	1.00
241_E	272_Q	1.976	1.00
251_T	254_E	1.954	1.00
74_V	78_A	1.925	1.00
143_R	147_I	1.899	1.00
290_T	293_E	1.856	1.00
143_R	170_K	1.852	1.00
274_R	279_E	1.852	1.00
148_I	171_A	1.798	1.00
151_I	162_C	1.791	1.00
224_T	249_D	1.756	1.00
228_N	252_D	1.742	1.00
252_D	291_I	1.737	1.00
73_P	77_T	1.727	1.00
127_S	130_K	1.720	1.00
125_R	130_K	1.707	1.00
234_N	276_E	1.664	1.00
50_A	54_T	1.664	1.00
119_L	122_T	1.626	1.00
89_A	92_T	1.617	1.00
186_H	189_A	1.603	1.00
192_Y	195_G	1.580	1.00
234_N	237_K	1.577	1.00
227_K	299_T	1.558	1.00
215_A	218_Q	1.546	1.00
107_K	111_E	1.543	1.00
284_E	297_L	1.528	1.00
92_T	95_W	1.521	1.00
74_V	77_T	1.510	1.00
262_D	265_R	1.508	1.00
225_G	252_D	1.502	1.00
239_I	291_I	1.496	1.00
233_E	237_K	1.495	1.00
126_Y	129_F	1.481	1.00
228_N	296_K	1.478	1.00
229_V	233_E	1.466	1.00
92_T	96_G	1.465	1.00
229_V	252_D	1.459	1.00
134_L	164_A	1.451	1.00
237_K	276_E	1.445	1.00
125_R	129_F	1.439	1.00
81_G	85_P	1.436	1.00
116_D	120_V	1.428	1.00
185_K	193_A	1.424	1.00
55_E	59_N	1.414	1.00
77_T	81_G	1.401	1.00
288_R	293_E	1.394	1.00
107_K	112_L	1.367	1.00
56_L	59_N	1.356	1.00
185_K	189_A	1.355	1.00
111_E	115_E	1.339	1.00
232_C	252_D	1.327	1.00
238_Q	272_Q	1.327	1.00
106_E	109_I	1.327	1.00
202_M	206_L	1.326	1.00
214_P	218_Q	1.320	1.00
111_E	114_P	1.319	1.00
269_L	285_L	1.306	1.00
119_L	127_S	1.298	1.00
203_T	206_L	1.271	1.00
72_I	76_Y	1.267	1.00
205_S	208_D	1.251	1.00
70_L	73_P	1.248	1.00
231_T	234_N	1.247	1.00
117_D	120_V	1.242	1.00
283_V	287_E	1.224	1.00
235_I	291_I	1.221	1.00
164_A	168_D	1.215	1.00
239_I	261_L	1.213	1.00
284_E	287_E	1.211	1.00
137_M	140_K	1.204	1.00
188_M	192_Y	1.204	1.00
134_L	161_A	1.196	1.00
136_E	139_R	1.193	1.00
118_D	122_T	1.184	1.00
236_R	252_D	1.180	1.00
256_L	261_L	1.176	1.00
89_A	93_D	1.173	1.00
118_D	123_K	1.157	1.00
119_L	123_K	1.148	1.00
228_N	232_C	1.143	1.00
144_D	147_I	1.139	1.00
238_Q	273_W	1.139	1.00
147_I	170_K	1.131	1.00
116_D	123_K	1.124	1.00
116_D	122_T	1.107	1.00
85_P	88_R	1.103	1.00
228_N	292_E	1.094	1.00
123_K	157_C	1.093	1.00
93_D	96_G	1.088	1.00
109_I	113_A	1.077	1.00
79_Q	86_D	1.076	1.00
91_L	95_W	1.063	1.00
82_S	85_P	1.061	1.00
57_S	63_L	1.058	1.00
90_L	93_D	1.056	1.00
191_E	195_G	1.055	1.00
105_E	112_L	1.051	1.00
242_L	269_L	1.035	1.00
91_L	96_G	1.030	1.00
61_R	65_N	1.016	1.00
125_R	128_A	1.016	1.00
273_W	278_A	1.013	1.00
181_F	189_A	1.013	1.00
272_Q	276_E	1.000	1.00
116_D	121_L	0.999	1.00
262_D	282_F	0.989	1.00
73_P	76_Y	0.988	1.00
225_G	292_E	0.983	1.00
192_Y	197_C	0.982	1.00
200_T	203_T	0.979	1.00
52_P	56_L	0.963	1.00
158_L	161_A	0.962	1.00
59_N	67_C	0.961	1.00
238_Q	276_E	0.949	1.00
185_K	192_Y	0.948	1.00
193_A	196_R	0.947	1.00
78_A	81_G	0.946	1.00
267_M	271_E	0.945	1.00
171_A	174_V	0.944	1.00
54_T	58_A	0.939	1.00
229_V	299_T	0.939	1.00
63_L	67_C	0.937	1.00
265_R	268_T	0.937	1.00
52_P	59_N	0.930	1.00
135_L	147_I	0.927	1.00
108_I	111_E	0.923	1.00
122_T	127_S	0.917	1.00
183_L	189_A	0.910	1.00
143_R	168_D	0.907	1.00
91_L	94_F	0.907	1.00
75_V	79_Q	0.904	1.00
123_K	126_Y	0.898	1.00
266_I	285_L	0.897	1.00
52_P	67_C	0.896	1.00
187_Q	191_E	0.891	1.00
273_W	280_V	0.888	1.00
109_I	131_R	0.887	1.00
185_K	190_L	0.884	1.00
83_Q	87_D	0.882	1.00
120_V	123_K	0.882	1.00
270_V	274_R	0.874	1.00
222_A	230_F	0.873	1.00
124_W	130_K	0.873	1.00
124_W	128_A	0.873	1.00
181_F	186_H	0.873	1.00
78_A	82_S	0.869	1.00
189_A	194_A	0.868	1.00
268_T	272_Q	0.868	1.00
68_V	71_G	0.865	1.00
204_D	207_L	0.862	1.00
228_N	299_T	0.861	1.00
94_F	97_P	0.846	1.00
284_E	288_R	0.845	1.00
134_L	137_M	0.844	1.00
273_W	298_L	0.844	1.00
274_R	278_A	0.833	1.00
231_T	298_L	0.832	1.00
79_Q	82_S	0.820	1.00
74_V	79_Q	0.817	1.00
90_L	94_F	0.816	1.00
270_V	285_L	0.816	1.00
237_K	241_E	0.816	1.00
124_W	129_F	0.810	1.00
73_P	78_A	0.806	1.00
252_D	292_E	0.804	1.00
186_H	193_A	0.799	1.00
67_C	71_G	0.794	1.00
197_C	201_V	0.793	1.00
264_V	282_F	0.789	1.00
80_P	85_P	0.787	1.00
267_M	282_F	0.786	1.00
70_L	77_T	0.786	1.00
133_N	137_M	0.786	1.00
264_V	267_M	0.786	1.00
186_H	190_L	0.780	1.00
65_N	68_V	0.773	1.00
238_Q	241_E	0.771	1.00
72_I	75_V	0.770	1.00
52_P	55_E	0.766	1.00
102_G	105_E	0.762	1.00
224_T	227_K	0.762	1.00
236_R	250_I	0.761	1.00
60_I	67_C	0.756	1.00
239_I	269_L	0.755	1.00
110_T	137_M	0.751	1.00
202_M	205_S	0.750	1.00
89_A	94_F	0.750	1.00
182_S	192_Y	0.749	1.00
201_V	204_D	0.747	1.00
105_E	109_I	0.745	1.00
297_L	301_R	0.741	1.00
269_L	294_W	0.727	1.00
90_L	95_W	0.723	1.00
182_S	185_K	0.722	1.00
266_I	270_V	0.722	1.00
68_V	76_Y	0.720	1.00
235_I	295_Q	0.720	1.00
55_E	58_A	0.718	1.00
215_A	219_K	0.717	1.00
106_E	110_T	0.714	1.00
78_A	85_P	0.713	1.00
224_T	251_T	0.713	1.00
163_E	166_M	0.711	1.00
64_K	67_C	0.711	1.00
163_E	167_E	0.710	1.00
242_L	265_R	0.706	1.00
194_A	197_C	0.706	1.00
110_T	113_A	0.705	1.00
293_E	296_K	0.702	1.00
170_K	174_V	0.701	1.00
232_C	291_I	0.699	1.00
257_L	261_L	0.698	1.00
214_P	219_K	0.694	1.00
104_Y	112_L	0.692	1.00
102_G	110_T	0.692	1.00
58_A	61_R	0.691	1.00
62_K	66_Q	0.688	1.00
135_L	139_R	0.688	1.00
106_E	112_L	0.684	1.00
121_L	157_C	0.683	1.00
278_A	298_L	0.683	1.00
189_A	193_A	0.682	1.00
117_D	121_L	0.678	1.00
133_N	136_E	0.677	1.00
118_D	121_L	0.677	1.00
75_V	78_A	0.677	1.00
232_C	295_Q	0.676	1.00
132_T	139_R	0.674	1.00
60_I	68_V	0.674	1.00
64_K	68_V	0.670	1.00
51_S	55_E	0.670	1.00
104_Y	109_I	0.670	1.00
202_M	209_Q	0.668	1.00
216_D	219_K	0.667	1.00
71_G	76_Y	0.666	1.00
159_V	162_C	0.665	1.00
116_D	119_L	0.664	1.00
235_I	294_W	0.663	1.00
288_R	296_K	0.662	1.00
223_N	226_K	0.660	1.00
200_T	207_L	0.659	1.00
110_T	114_P	0.659	1.00
82_S	87_D	0.657	1.00
240_A	249_D	0.656	1.00
160_T	163_E	0.655	1.00
165_F	168_D	0.655	1.00
56_L	63_L	0.655	1.00
165_F	170_K	0.653	1.00
161_A	164_A	0.650	0.99
79_Q	85_P	0.647	0.99
284_E	294_W	0.646	0.99
60_I	64_K	0.646	0.99
63_L	68_V	0.646	0.99
78_A	83_Q	0.642	0.99
202_M	207_L	0.642	0.99
57_S	67_C	0.637	0.99
79_Q	84_N	0.634	0.99
76_Y	80_P	0.634	0.99
257_L	285_L	0.631	0.99
152_Y	158_L	0.630	0.99
245_E	249_D	0.629	0.99
197_C	202_M	0.628	0.99
270_V	280_V	0.627	0.99
50_A	53_V	0.627	0.99
71_G	75_V	0.624	0.99
185_K	196_R	0.624	0.99
262_D	266_I	0.622	0.99
203_T	207_L	0.618	0.99
103_P	107_K	0.618	0.99
200_T	204_D	0.617	0.99
166_M	170_K	0.615	0.99
65_N	69_Q	0.615	0.99
53_V	59_N	0.614	0.99
93_D	97_P	0.613	0.99
59_N	68_V	0.613	0.99
132_T	135_L	0.612	0.99
146_L	170_K	0.611	0.99
198_A	202_M	0.609	0.99
245_E	250_I	0.607	0.99
53_V	56_L	0.606	0.99
181_F	194_A	0.606	0.99
115_E	123_K	0.605	0.99
257_L	286_A	0.604	0.99
95_W	98_G	0.603	0.99
59_N	63_L	0.601	0.99
102_G	106_E	0.600	0.99
68_V	72_I	0.594	0.99
231_T	295_Q	0.593	0.99
188_M	191_E	0.591	0.99
68_V	75_V	0.590	0.99
267_M	270_V	0.589	0.99
59_N	62_K	0.587	0.99
121_L	160_T	0.587	0.99
73_P	80_P	0.585	0.99
252_D	295_Q	0.584	0.99
166_M	169_I	0.581	0.99
294_W	297_L	0.581	0.99
109_I	167_E	0.581	0.99
245_E	248_E	0.580	0.99
143_R	149_T	0.579	0.99
164_A	170_K	0.578	0.99
235_I	269_L	0.577	0.99
53_V	68_V	0.576	0.99
182_S	189_A	0.575	0.99
266_I	282_F	0.575	0.99
287_E	297_L	0.571	0.99
128_A	161_A	0.570	0.99
280_V	294_W	0.566	0.99
58_A	62_K	0.565	0.99
115_E	120_V	0.565	0.99
183_L	186_H	0.563	0.99
81_G	88_R	0.558	0.98
262_D	267_M	0.557	0.98
199_F	204_D	0.556	0.98
87_D	91_L	0.554	0.98
206_L	209_Q	0.554	0.98
229_V	232_C	0.552	0.98
66_Q	69_Q	0.551	0.98
240_A	248_E	0.551	0.98
239_I	294_W	0.550	0.98
225_G	228_N	0.549	0.98
101_S	104_Y	0.549	0.98
208_D	211_Q	0.546	0.98
60_I	63_L	0.546	0.98
238_Q	242_L	0.543	0.98
154_H	203_T	0.541	0.98
200_T	211_Q	0.538	0.98
98_G	173_F	0.536	0.98
182_S	186_H	0.535	0.98
67_C	70_L	0.534	0.98
59_N	64_K	0.533	0.98
81_G	86_D	0.531	0.98
82_S	86_D	0.529	0.98
155_I	159_V	0.526	0.98
166_M	172_F	0.525	0.98
79_Q	83_Q	0.517	0.97
162_C	165_F	0.514	0.97
98_G	102_G	0.511	0.97
240_A	250_I	0.511	0.97
236_R	240_A	0.511	0.97
57_S	61_R	0.511	0.97
156_G	160_T	0.510	0.97
71_G	78_A	0.510	0.97
203_T	211_Q	0.508	0.97
244_Q	248_E	0.507	0.97
250_I	291_I	0.504	0.97
272_Q	275_R	0.500	0.97

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
2fq1A	2	0.8974	100	0.352	Contact Map
1nf9A	2	0.6603	99.9	0.639	Contact Map
3tg2A	2	0.6571	99.8	0.658	Contact Map
2jgpA	1	0.2885	99.8	0.666	Contact Map
4oqjA	2	0.6058	99.7	0.69	Contact Map
3tejA	1	0.2788	99.7	0.698	Contact Map
3irvA	2	0.6346	99.7	0.704	Contact Map
4pxhB	1	0.2372	99.7	0.705	Contact Map
1dnyA	1	0.2404	99.6	0.712	Contact Map
2cq8A	1	0.3365	99.6	0.712	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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