PANE - ECOLI - GREMLIN Contacts

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PANE - 2-dehydropantoate 2-reductase

UniProt:	P0A9J4	Sequences: MKITVLGCGALGQLWLTALCKQGHEVQGWLRVPQPYCSVNLVETDGSIFNESLTANDPDFLATSDLLLVTLKAWQVSDAVKSLASTLPVTTPILLIHNGMGTIEELQNIQQPLLMGTTTHAARRDGNVIIHVANGITHIGPARQQDGDYSYLADILQTVLPDVAWHNNIRAELWRKLAVNCVINPLTAIWNCPNGELRHHPQEIMQICEEVAAVIEREGHHTSAEDLRDYVMQVIDATAENISSMLQDIRALRHTEIDYINGFLLRRARAHGIAVPENTRLFEMVKRKESEYERIGTGLPRPW	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13271
Length:	303 (288)
Sequences:	5002 (3872)
Seq/√Len:	228.2

ECOLI - PANE
BACSU - YKPB PANE
HALSA - PANE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
269_R	279_T	4.590	1.00
242_I	250_R	4.480	1.00
268_A	275_V	4.024	1.00
218_E	271_H	3.516	1.00
4_T	64_S	2.986	1.00
2_K	25_E	2.923	1.00
16_L	28_G	2.905	1.00
207_I	281_L	2.805	1.00
214_V	275_V	2.788	1.00
187_T	243_S	2.745	1.00
265_L	279_T	2.609	1.00
261_N	278_N	2.494	1.00
267_R	270_A	2.431	1.00
141_P	146_D	2.394	1.00
258_D	286_K	2.387	1.00
76_V	97_H	2.258	1.00
68_L	94_L	2.246	1.00
246_L	250_R	2.238	1.00
218_E	267_R	2.229	1.00
275_V	279_T	2.215	1.00
66_L	94_L	2.204	1.00
242_I	246_L	2.141	1.00
191_N	250_R	2.130	1.00
141_P	148_D	2.018	1.00
18_A	21_K	1.935	1.00
42_V	128_V	1.928	1.00
33_P	36_Y	1.887	1.00
3_I	155_I	1.875	1.00
206_Q	277_E	1.836	1.00
6_L	79_A	1.830	1.00
8_C	28_G	1.817	1.00
174_W	215_I	1.793	1.00
207_I	277_E	1.773	1.00
136_I	164_A	1.756	1.00
168_N	171_A	1.754	1.00
193_P	196_E	1.739	1.00
140_G	169_I	1.666	1.00
138_H	166_H	1.649	1.00
191_N	246_L	1.645	1.00
32_V	35_P	1.645	1.00
178_A	211_V	1.636	1.00
3_I	66_L	1.619	1.00
43_E	131_H	1.616	1.00
180_N	184_N	1.612	1.00
188_A	249_I	1.595	1.00
114_L	149_Y	1.591	1.00
267_R	271_H	1.582	1.00
274_A	279_T	1.577	1.00
153_A	157_Q	1.569	1.00
77_S	105_E	1.564	1.00
96_I	116_G	1.563	1.00
181_C	211_V	1.561	1.00
13_Q	129_I	1.550	1.00
282_F	286_K	1.549	1.00
24_H	158_T	1.546	1.00
33_P	37_C	1.534	1.00
265_L	275_V	1.533	1.00
66_L	152_L	1.523	1.00
189_I	284_M	1.500	1.00
125_D	128_V	1.498	1.00
217_R	273_I	1.479	1.00
150_S	154_D	1.469	1.00
257_I	285_V	1.463	1.00
87_L	91_T	1.450	1.00
191_N	288_K	1.445	1.00
255_T	285_V	1.443	1.00
81_K	109_I	1.438	1.00
258_D	282_F	1.435	1.00
261_N	282_F	1.433	1.00
214_V	264_L	1.425	1.00
40_N	128_V	1.412	1.00
205_M	228_R	1.407	1.00
166_H	172_E	1.391	1.00
195_G	239_A	1.387	1.00
50_N	53_L	1.361	1.00
84_A	109_I	1.349	1.00
286_K	289_E	1.347	1.00
15_W	96_I	1.345	1.00
14_L	122_A	1.342	1.00
203_E	280_R	1.342	1.00
118_T	137_T	1.337	1.00
265_L	282_F	1.328	1.00
88_P	91_T	1.316	1.00
146_D	150_S	1.311	1.00
279_T	283_E	1.305	1.00
185_P	245_M	1.262	1.00
30_L	35_P	1.253	1.00
77_S	108_N	1.251	1.00
258_D	266_R	1.245	1.00
92_P	148_D	1.243	1.00
42_V	47_S	1.236	1.00
249_I	255_T	1.236	1.00
268_A	273_I	1.233	1.00
76_V	102_T	1.230	1.00
103_I	173_L	1.225	1.00
149_Y	165_W	1.222	1.00
205_M	209_E	1.215	1.00
280_R	284_M	1.211	1.00
192_C	196_E	1.205	1.00
154_D	157_Q	1.204	1.00
42_V	130_I	1.201	1.00
78_D	81_K	1.199	1.00
81_K	84_A	1.199	1.00
77_S	81_K	1.187	1.00
27_Q	64_S	1.186	1.00
78_D	82_S	1.180	1.00
101_G	104_E	1.173	1.00
57_D	60_F	1.166	1.00
92_P	114_L	1.164	1.00
263_F	266_R	1.159	1.00
4_T	29_W	1.154	1.00
5_V	68_L	1.147	1.00
211_V	264_L	1.145	1.00
229_D	232_M	1.145	1.00
100_M	263_F	1.142	1.00
21_K	48_I	1.132	1.00
255_T	289_E	1.125	1.00
4_T	67_L	1.120	1.00
153_A	165_W	1.118	1.00
207_I	278_N	1.116	1.00
73_A	259_Y	1.111	1.00
32_V	36_Y	1.109	1.00
154_D	158_T	1.107	1.00
218_E	270_A	1.106	1.00
217_R	271_H	1.105	1.00
30_L	36_Y	1.097	1.00
266_R	270_A	1.096	1.00
52_S	55_A	1.095	1.00
13_Q	39_V	1.086	1.00
263_F	267_R	1.086	1.00
117_T	173_L	1.083	1.00
95_L	106_L	1.072	1.00
58_P	61_L	1.070	1.00
11_L	70_T	1.066	1.00
147_G	150_S	1.066	1.00
120_H	131_H	1.062	1.00
184_N	245_M	1.045	1.00
185_P	261_N	1.042	1.00
107_Q	110_Q	1.034	1.00
189_I	288_K	1.032	1.00
203_E	277_E	1.028	1.00
66_L	92_P	1.018	1.00
11_L	118_T	1.015	1.00
193_P	240_E	1.011	1.00
141_P	144_Q	1.008	1.00
51_E	54_T	1.005	1.00
273_I	276_P	1.003	1.00
223_S	226_D	1.003	1.00
57_D	61_L	1.002	1.00
94_L	116_G	1.001	1.00
123_R	132_V	0.995	1.00
171_A	175_R	0.990	1.00
139_I	153_A	0.989	1.00
151_Y	154_D	0.988	1.00
228_R	232_M	0.979	1.00
275_V	278_N	0.976	1.00
141_P	149_Y	0.976	1.00
38_S	41_L	0.973	1.00
103_I	107_Q	0.972	1.00
48_I	51_E	0.961	1.00
34_Q	126_G	0.956	1.00
76_V	95_L	0.950	1.00
40_N	47_S	0.948	1.00
74_W	254_H	0.945	1.00
3_I	24_H	0.942	1.00
8_C	16_L	0.939	1.00
202_Q	206_Q	0.936	1.00
157_Q	163_V	0.934	1.00
179_V	234_V	0.931	1.00
186_L	197_L	0.928	1.00
176_K	244_S	0.924	1.00
277_E	280_R	0.921	1.00
190_W	284_M	0.920	1.00
98_N	176_K	0.920	1.00
69_V	93_I	0.918	1.00
92_P	152_L	0.918	1.00
190_W	203_E	0.918	1.00
191_N	249_I	0.918	1.00
61_L	64_S	0.917	1.00
231_V	235_I	0.913	1.00
43_E	46_G	0.907	0.99
214_V	268_A	0.906	0.99
6_L	67_L	0.900	0.99
194_N	241_N	0.900	0.99
5_V	26_V	0.891	0.99
206_Q	279_T	0.887	0.99
123_R	130_I	0.883	0.99
182_V	208_C	0.882	0.99
198_R	235_I	0.880	0.99
229_D	233_Q	0.879	0.99
138_H	172_E	0.876	0.99
196_E	199_H	0.875	0.99
2_K	62_A	0.875	0.99
122_A	129_I	0.874	0.99
123_R	247_Q	0.870	0.99
4_T	86_T	0.868	0.99
72_K	248_D	0.859	0.99
261_N	264_L	0.858	0.99
75_Q	78_D	0.857	0.99
24_H	155_I	0.856	0.99
147_G	151_Y	0.854	0.99
175_R	223_S	0.847	0.99
138_H	164_A	0.846	0.99
22_Q	159_V	0.842	0.99
92_P	112_P	0.842	0.99
230_Y	233_Q	0.842	0.99
268_A	274_A	0.841	0.99
2_K	63_T	0.839	0.99
101_G	266_R	0.835	0.99
14_L	120_H	0.834	0.99
247_Q	251_A	0.829	0.99
72_K	176_K	0.829	0.99
177_L	264_L	0.825	0.99
68_L	96_I	0.824	0.99
186_L	204_I	0.821	0.99
15_W	118_T	0.820	0.99
8_C	13_Q	0.820	0.99
213_A	216_E	0.813	0.99
177_L	260_I	0.811	0.99
67_L	87_L	0.807	0.99
67_L	91_T	0.805	0.99
269_R	275_V	0.804	0.99
258_D	262_G	0.804	0.99
6_L	71_L	0.803	0.99
184_N	244_S	0.801	0.99
49_F	52_S	0.796	0.99
183_I	234_V	0.794	0.99
209_E	213_A	0.792	0.99
9_G	12_G	0.791	0.99
63_T	91_T	0.790	0.99
212_A	216_E	0.789	0.99
41_L	48_I	0.789	0.99
280_R	283_E	0.788	0.99
238_T	241_N	0.786	0.99
202_Q	205_M	0.784	0.98
104_E	108_N	0.784	0.98
101_G	263_F	0.780	0.98
152_L	156_L	0.779	0.98
17_T	41_L	0.778	0.98
284_M	288_K	0.776	0.98
179_V	183_I	0.775	0.98
73_A	102_T	0.774	0.98
242_I	247_Q	0.773	0.98
95_L	102_T	0.771	0.98
121_A	132_V	0.764	0.98
254_H	289_E	0.757	0.98
211_V	214_V	0.756	0.98
266_R	269_R	0.756	0.98
184_N	188_A	0.754	0.98
248_D	256_E	0.754	0.98
81_K	85_S	0.752	0.98
181_C	278_N	0.751	0.98
262_G	282_F	0.751	0.98
214_V	273_I	0.750	0.98
63_T	88_P	0.749	0.98
185_P	188_A	0.748	0.98
69_V	95_L	0.748	0.98
116_G	137_T	0.745	0.98
67_L	93_I	0.743	0.98
215_I	222_T	0.736	0.98
213_A	217_R	0.736	0.98
102_T	106_L	0.733	0.98
244_S	248_D	0.732	0.98
262_G	266_R	0.731	0.98
34_Q	37_C	0.730	0.98
105_E	108_N	0.727	0.98
206_Q	283_E	0.723	0.97
225_E	229_D	0.720	0.97
183_I	241_N	0.720	0.97
72_K	244_S	0.720	0.97
121_A	238_T	0.718	0.97
265_L	278_N	0.717	0.97
5_V	16_L	0.717	0.97
175_R	226_D	0.716	0.97
187_T	197_L	0.714	0.97
233_Q	237_A	0.712	0.97
72_K	256_E	0.710	0.97
183_I	194_N	0.709	0.97
15_W	68_L	0.708	0.97
107_Q	142_A	0.706	0.97
64_S	67_L	0.705	0.97
14_L	131_H	0.704	0.97
139_I	163_V	0.698	0.97
233_Q	236_D	0.698	0.97
6_L	29_W	0.698	0.97
180_N	260_I	0.695	0.97
248_D	253_R	0.694	0.97
185_P	281_L	0.692	0.97
203_E	284_M	0.690	0.97
249_I	288_K	0.689	0.97
48_I	52_S	0.688	0.97
18_A	159_V	0.686	0.97
153_A	163_V	0.683	0.96
194_N	238_T	0.680	0.96
268_A	276_P	0.678	0.96
184_N	260_I	0.677	0.96
79_A	82_S	0.671	0.96
80_V	109_I	0.669	0.96
184_N	247_Q	0.669	0.96
20_C	23_G	0.669	0.96
65_D	90_T	0.667	0.96
103_I	115_M	0.667	0.96
4_T	27_Q	0.665	0.96
166_H	169_I	0.664	0.96
79_A	83_L	0.662	0.96
30_L	34_Q	0.662	0.96
49_F	53_L	0.660	0.96
63_T	90_T	0.658	0.96
195_G	199_H	0.658	0.96
157_Q	162_D	0.656	0.96
216_E	221_H	0.656	0.96
124_R	127_N	0.651	0.95
261_N	265_L	0.649	0.95
97_H	102_T	0.649	0.95
102_T	173_L	0.647	0.95
208_C	228_R	0.647	0.95
25_E	54_T	0.644	0.95
213_A	273_I	0.642	0.95
53_L	56_N	0.640	0.95
52_S	56_N	0.640	0.95
269_R	274_A	0.637	0.95
199_H	239_A	0.634	0.95
98_N	244_S	0.632	0.95
115_M	173_L	0.630	0.94
15_W	137_T	0.628	0.94
115_M	142_A	0.627	0.94
136_I	162_D	0.627	0.94
218_E	273_I	0.623	0.94
188_A	255_T	0.622	0.94
170_R	218_E	0.621	0.94
183_I	235_I	0.621	0.94
213_A	274_A	0.620	0.94
20_C	28_G	0.620	0.94
17_T	20_C	0.616	0.94
226_D	229_D	0.615	0.94
100_M	177_L	0.615	0.94
264_L	278_N	0.615	0.94
209_E	224_A	0.614	0.94
21_K	49_F	0.614	0.94
40_N	49_F	0.612	0.94
80_V	106_L	0.612	0.94
104_E	107_Q	0.612	0.94
6_L	82_S	0.611	0.93
181_C	260_I	0.610	0.93
178_A	212_A	0.609	0.93
176_K	248_D	0.608	0.93
264_L	275_V	0.607	0.93
96_I	118_T	0.607	0.93
94_L	114_L	0.604	0.93
2_K	65_D	0.604	0.93
27_Q	54_T	0.604	0.93
139_I	165_W	0.598	0.93
177_L	180_N	0.596	0.93
124_R	129_I	0.595	0.93
231_V	234_V	0.594	0.93
114_L	141_P	0.593	0.92
150_S	165_W	0.593	0.92
14_L	18_A	0.592	0.92
216_E	224_A	0.592	0.92
176_K	184_N	0.588	0.92
72_K	98_N	0.588	0.92
13_Q	28_G	0.588	0.92
186_L	207_I	0.587	0.92
150_S	153_A	0.586	0.92
142_A	170_R	0.584	0.92
197_L	204_I	0.583	0.92
170_R	173_L	0.580	0.92
32_V	37_C	0.580	0.92
178_A	227_L	0.579	0.92
180_N	244_S	0.575	0.91
188_A	246_L	0.574	0.91
182_V	186_L	0.572	0.91
87_L	111_Q	0.571	0.91
15_W	70_T	0.570	0.91
15_W	18_A	0.569	0.91
14_L	135_G	0.569	0.91
98_N	256_E	0.568	0.91
180_N	247_Q	0.566	0.91
71_L	76_V	0.566	0.91
244_S	256_E	0.565	0.91
31_R	75_Q	0.564	0.90
98_N	180_N	0.564	0.90
195_G	240_E	0.561	0.90
117_T	172_E	0.558	0.90
210_E	276_P	0.557	0.90
188_A	192_C	0.556	0.90
51_E	55_A	0.555	0.90
264_L	268_A	0.555	0.90
192_C	197_L	0.555	0.90
194_N	243_S	0.553	0.90
71_L	75_Q	0.553	0.90
115_M	140_G	0.553	0.90
20_C	51_E	0.550	0.89
50_N	54_T	0.550	0.89
118_T	135_G	0.549	0.89
69_V	106_L	0.541	0.89
73_A	76_V	0.541	0.89
185_P	285_V	0.541	0.89
121_A	241_N	0.539	0.88
257_I	286_K	0.539	0.88
37_C	126_G	0.538	0.88
175_R	230_Y	0.537	0.88
185_P	207_I	0.536	0.88
40_N	50_N	0.534	0.88
148_D	151_Y	0.534	0.88
245_M	248_D	0.534	0.88
245_M	255_T	0.532	0.88
35_P	55_A	0.528	0.87
96_I	137_T	0.525	0.87
95_L	113_L	0.524	0.87
2_K	27_Q	0.523	0.87
8_C	30_L	0.523	0.87
32_V	126_G	0.521	0.87
249_I	285_V	0.520	0.87
285_V	289_E	0.518	0.86
139_I	149_Y	0.518	0.86
120_H	135_G	0.518	0.86
115_M	169_I	0.517	0.86
204_I	235_I	0.517	0.86
182_V	185_P	0.514	0.86
187_T	246_L	0.513	0.86
144_Q	148_D	0.513	0.86
10_A	124_R	0.511	0.86
89_V	111_Q	0.510	0.86
75_Q	254_H	0.508	0.85
101_G	105_E	0.507	0.85
63_T	89_V	0.504	0.85
9_G	98_N	0.502	0.85
100_M	173_L	0.502	0.85
193_P	242_I	0.501	0.85
195_G	246_L	0.500	0.84
197_L	235_I	0.500	0.84

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
1ks9A	1	0.9604	100	0.368	Contact Map
3wfiA	2	0.9703	100	0.369	Contact Map
2ew2A	2	0.9703	100	0.377	Contact Map
3egoA	2	0.9241	100	0.415	Contact Map
3ghyA	2	0.9637	100	0.419	Contact Map
3hn2A	2	0.9571	100	0.419	Contact Map
3i83A	2	0.9835	100	0.42	Contact Map
3hwrA	2	0.9505	100	0.421	Contact Map
4ol9A	2	0.9406	100	0.422	Contact Map
2qytA	1	0.8779	100	0.422	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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