PANE - BACSU - GREMLIN Contacts

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PANE - Probable 2-dehydropantoate 2-reductase

UniProt:	O34661	Sequences: MKIGIIGGGSVGLLCAYYLSLYHDVTVVTRRQEQAAAIQSEGIRLYKGGEEFRADCSADTSINSDFDLLVVTVKQHQLQSVFSSLERIGKTNILFLQNGMGHIHDLKDWHVGHSIYVGIVEHGAVRKSDTAVDHTGLGAIKWSAFDDAEPDRLNILFQHNHSDFPIYYETDWYRLLTGKLIVNACINPLTALLQVKNGELLTTPAYLAFMKLVFQEACRILKLENEEKAWERVQAVCGQTKENRSSMLVDVIGGRQTEADAIIGYLLKEASLQGLDAVHLEFLYGSIKALERNTNKVF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	298 (289)
Sequences:	5007 (3912)
Seq/√Len:	230.1

ECOLI - PANE
BACSU - PANE YKPB
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
244_R	252_I	4.596	1.00
271_S	281_E	4.555	1.00
270_A	277_A	3.880	1.00
224_E	273_Q	3.530	1.00
16_A	27_V	3.013	1.00
4_G	66_F	2.995	1.00
2_K	24_D	2.943	1.00
190_T	245_S	2.859	1.00
213_V	283_L	2.826	1.00
220_I	277_A	2.782	1.00
263_I	280_L	2.577	1.00
36_A	40_S	2.543	1.00
267_L	281_E	2.528	1.00
269_E	272_L	2.480	1.00
78_L	97_Q	2.342	1.00
260_D	288_K	2.319	1.00
194_Q	252_I	2.267	1.00
70_V	94_L	2.254	1.00
248_L	252_I	2.245	1.00
224_E	269_E	2.218	1.00
144_A	150_P	2.186	1.00
68_L	94_L	2.163	1.00
277_A	281_E	2.134	1.00
244_R	248_L	2.126	1.00
144_A	152_R	2.117	1.00
46_Y	131_A	2.070	1.00
196_K	199_E	1.917	1.00
3_I	158_Q	1.895	1.00
177_T	221_L	1.881	1.00
6_I	81_V	1.862	1.00
183_N	187_N	1.859	1.00
8_G	27_V	1.854	1.00
127_K	133_D	1.833	1.00
35_A	39_Q	1.818	1.00
212_L	279_H	1.758	1.00
213_V	279_H	1.737	1.00
171_D	174_R	1.712	1.00
33_E	36_A	1.711	1.00
143_S	172_W	1.670	1.00
79_Q	105_D	1.661	1.00
181_I	217_A	1.660	1.00
3_I	68_L	1.627	1.00
194_Q	248_L	1.623	1.00
37_A	41_E	1.618	1.00
83_S	109_W	1.616	1.00
139_A	167_Y	1.605	1.00
96_L	118_G	1.601	1.00
86_E	109_W	1.600	1.00
141_K	169_E	1.581	1.00
184_A	217_A	1.570	1.00
156_L	160_N	1.570	1.00
13_L	132_V	1.541	1.00
267_L	277_A	1.534	1.00
276_D	281_E	1.534	1.00
68_L	155_I	1.521	1.00
192_L	286_S	1.515	1.00
269_E	273_Q	1.503	1.00
29_T	35_A	1.500	1.00
116_Y	153_L	1.497	1.00
191_A	251_V	1.491	1.00
47_K	134_H	1.490	1.00
284_Y	288_K	1.483	1.00
198_G	241_K	1.476	1.00
169_E	175_L	1.476	1.00
257_T	287_I	1.454	1.00
263_I	284_Y	1.431	1.00
259_A	287_I	1.426	1.00
88_I	91_T	1.416	1.00
223_L	275_L	1.415	1.00
260_D	284_Y	1.403	1.00
209_F	282_F	1.380	1.00
78_L	102_H	1.377	1.00
207_L	211_K	1.372	1.00
23_H	161_H	1.364	1.00
220_I	266_L	1.354	1.00
53_R	56_C	1.349	1.00
194_Q	290_L	1.344	1.00
103_I	176_L	1.340	1.00
15_C	96_L	1.318	1.00
188_P	247_M	1.316	1.00
44_R	51_E	1.309	1.00
47_K	50_E	1.306	1.00
111_V	114_S	1.302	1.00
54_A	57_S	1.301	1.00
14_L	124_A	1.296	1.00
267_L	284_Y	1.295	1.00
251_V	257_T	1.285	1.00
79_Q	108_D	1.285	1.00
36_A	39_Q	1.284	1.00
31_R	35_A	1.270	1.00
83_S	86_E	1.267	1.00
288_K	291_E	1.266	1.00
128_S	131_A	1.259	1.00
34_Q	38_I	1.257	1.00
260_D	268_K	1.241	1.00
79_Q	83_S	1.222	1.00
46_Y	51_E	1.221	1.00
281_E	285_G	1.218	1.00
195_V	199_E	1.213	1.00
101_G	104_H	1.205	1.00
29_T	38_I	1.203	1.00
154_N	157_F	1.203	1.00
211_K	215_Q	1.201	1.00
237_C	240_T	1.201	1.00
59_D	62_I	1.191	1.00
95_F	106_L	1.187	1.00
217_A	266_L	1.181	1.00
26_T	66_F	1.165	1.00
157_F	160_N	1.165	1.00
5_I	70_V	1.161	1.00
44_R	131_A	1.152	1.00
151_D	154_N	1.150	1.00
80_S	83_S	1.148	1.00
80_S	84_S	1.147	1.00
75_Q	261_A	1.147	1.00
46_Y	133_D	1.140	1.00
93_I	110_H	1.138	1.00
4_G	69_L	1.122	1.00
207_L	238_G	1.115	1.00
282_F	286_S	1.113	1.00
120_V	140_I	1.111	1.00
11_V	72_T	1.106	1.00
100_M	265_Y	1.106	1.00
107_K	112_G	1.101	1.00
213_V	280_L	1.097	1.00
235_A	239_Q	1.094	1.00
211_K	230_W	1.093	1.00
268_K	272_L	1.091	1.00
157_F	161_H	1.091	1.00
119_I	176_L	1.090	1.00
223_L	273_Q	1.073	1.00
265_Y	268_K	1.066	1.00
224_E	272_L	1.061	1.00
277_A	280_L	1.060	1.00
122_H	134_H	1.057	1.00
257_T	291_E	1.056	1.00
226_E	229_A	1.054	1.00
94_L	118_G	1.053	1.00
187_N	247_M	1.052	1.00
127_K	131_A	1.047	1.00
265_Y	269_E	1.044	1.00
153_L	168_Y	1.044	1.00
270_A	275_L	1.036	1.00
92_N	152_R	1.036	1.00
275_L	278_V	1.030	1.00
209_F	279_H	1.030	1.00
235_A	238_G	1.029	1.00
150_P	154_N	1.023	1.00
59_D	63_N	1.021	1.00
3_I	23_H	1.017	1.00
144_A	153_L	1.016	1.00
188_P	263_I	1.014	1.00
60_T	63_N	1.012	1.00
4_G	28_V	1.012	1.00
92_N	116_Y	1.008	1.00
192_L	290_L	1.000	1.00
179_K	246_S	0.990	1.00
78_L	95_F	0.987	1.00
156_L	168_Y	0.976	1.00
231_E	235_A	0.976	1.00
6_I	69_L	0.972	1.00
144_A	147_D	0.960	1.00
174_R	178_G	0.945	1.00
196_K	242_E	0.945	1.00
279_H	282_F	0.944	1.00
11_V	120_V	0.943	1.00
63_N	66_F	0.926	1.00
68_L	92_N	0.921	1.00
98_N	179_K	0.915	1.00
52_F	55_D	0.904	0.99
53_R	58_A	0.903	0.99
34_Q	129_D	0.901	0.99
190_T	200_L	0.900	0.99
231_E	234_Q	0.900	0.99
13_L	43_I	0.898	0.99
65_D	91_T	0.893	0.99
194_Q	251_V	0.891	0.99
193_L	286_S	0.889	0.99
53_R	57_S	0.888	0.99
55_D	58_A	0.887	0.99
125_V	135_T	0.885	0.99
8_G	16_A	0.885	0.99
15_C	120_V	0.883	0.99
9_G	12_G	0.881	0.99
76_H	256_Q	0.879	0.99
111_V	115_I	0.878	0.99
180_L	262_I	0.875	0.99
83_S	87_R	0.875	0.99
220_I	270_A	0.870	0.99
54_A	58_A	0.870	0.99
142_W	156_L	0.870	0.99
8_G	13_L	0.868	0.99
77_Q	80_S	0.868	0.99
189_L	200_L	0.867	0.99
207_L	234_Q	0.865	0.99
160_N	166_I	0.865	0.99
74_K	179_K	0.862	0.99
141_K	175_L	0.861	0.99
197_N	243_N	0.856	0.99
212_L	281_E	0.854	0.99
187_N	246_S	0.850	0.99
270_A	276_D	0.849	0.99
263_I	266_L	0.849	0.99
38_I	130_T	0.847	0.99
101_G	268_K	0.847	0.99
125_V	133_D	0.844	0.99
103_I	117_V	0.844	0.99
2_K	64_S	0.843	0.99
187_N	191_A	0.842	0.99
34_Q	126_R	0.841	0.99
208_A	212_L	0.841	0.99
92_N	114_S	0.839	0.99
250_D	258_E	0.837	0.99
249_V	253_G	0.836	0.99
69_L	91_T	0.832	0.99
69_L	88_I	0.826	0.99
5_I	16_A	0.824	0.99
155_I	159_H	0.818	0.99
71_V	93_I	0.817	0.99
185_C	214_F	0.812	0.99
82_F	109_W	0.811	0.99
14_L	122_H	0.809	0.99
219_R	222_K	0.807	0.99
75_Q	102_H	0.807	0.99
124_A	132_V	0.806	0.99
193_L	209_F	0.806	0.99
125_V	249_V	0.805	0.99
74_K	250_D	0.805	0.99
92_N	155_I	0.804	0.99
118_G	140_I	0.802	0.99
264_G	284_Y	0.802	0.99
234_Q	238_G	0.801	0.99
74_K	258_E	0.800	0.99
17_Y	45_L	0.798	0.99
264_G	268_K	0.797	0.99
215_Q	230_W	0.792	0.99
217_A	220_I	0.788	0.99
107_K	111_V	0.783	0.99
81_V	84_S	0.781	0.98
208_A	211_K	0.778	0.98
282_F	285_G	0.774	0.98
123_G	135_T	0.771	0.98
260_D	264_G	0.769	0.98
256_Q	291_E	0.769	0.98
6_I	73_V	0.766	0.98
95_F	102_H	0.766	0.98
101_G	265_Y	0.766	0.98
218_C	222_K	0.761	0.98
204_P	208_A	0.760	0.98
183_N	262_I	0.760	0.98
23_H	158_Q	0.759	0.98
268_K	271_S	0.759	0.98
104_H	108_D	0.758	0.98
70_V	96_L	0.757	0.98
141_K	167_Y	0.755	0.98
189_L	210_M	0.754	0.98
180_L	266_L	0.752	0.98
215_Q	219_R	0.750	0.98
230_W	234_Q	0.748	0.98
97_Q	102_H	0.739	0.98
5_I	25_V	0.736	0.98
266_L	280_L	0.736	0.98
286_S	290_L	0.732	0.98
178_G	232_R	0.730	0.98
66_F	69_L	0.730	0.98
244_R	249_V	0.728	0.98
219_R	223_L	0.728	0.98
71_V	95_F	0.727	0.98
4_G	26_T	0.724	0.98
271_S	277_A	0.723	0.98
188_P	283_L	0.722	0.97
182_V	186_I	0.717	0.97
2_K	65_D	0.717	0.97
200_L	237_C	0.714	0.97
74_K	246_S	0.711	0.97
21_L	162_S	0.708	0.97
184_A	280_L	0.705	0.97
107_K	145_F	0.704	0.97
267_L	280_L	0.703	0.97
82_F	106_L	0.700	0.97
160_N	165_P	0.699	0.97
186_I	243_N	0.698	0.97
232_R	235_A	0.696	0.97
240_T	243_N	0.695	0.97
69_L	93_I	0.695	0.97
270_A	278_V	0.693	0.97
187_N	249_V	0.689	0.97
17_Y	20_S	0.686	0.97
250_D	255_R	0.685	0.97
139_A	165_P	0.683	0.97
34_Q	43_I	0.680	0.96
94_L	116_Y	0.679	0.96
106_L	115_I	0.678	0.96
41_E	131_A	0.677	0.96
206_Y	289_A	0.677	0.96
33_E	37_A	0.672	0.96
15_C	140_I	0.671	0.96
46_Y	127_K	0.670	0.96
246_S	250_D	0.669	0.96
211_K	231_E	0.664	0.96
142_W	166_I	0.658	0.96
187_N	262_I	0.656	0.96
169_E	172_W	0.654	0.96
195_V	200_L	0.652	0.95
81_V	85_L	0.650	0.95
220_I	275_L	0.649	0.95
103_I	107_K	0.648	0.95
189_L	213_V	0.642	0.95
73_V	78_L	0.641	0.95
15_C	70_V	0.640	0.95
201_L	238_G	0.638	0.95
41_E	44_R	0.635	0.95
20_S	27_V	0.634	0.95
117_V	176_L	0.634	0.95
147_D	150_P	0.634	0.95
186_I	197_N	0.634	0.95
197_N	240_T	0.634	0.95
180_L	183_N	0.630	0.95
263_I	267_L	0.629	0.95
251_V	290_L	0.625	0.94
183_N	246_S	0.625	0.94
203_T	206_Y	0.625	0.94
71_V	106_L	0.624	0.94
29_T	34_Q	0.624	0.94
209_F	286_S	0.624	0.94
202_T	241_K	0.622	0.94
236_V	240_T	0.621	0.94
228_K	231_E	0.621	0.94
212_L	285_G	0.620	0.94
219_R	275_L	0.618	0.94
188_P	191_A	0.617	0.94
233_V	237_C	0.616	0.94
184_A	262_I	0.613	0.94
224_E	275_L	0.613	0.94
65_D	90_K	0.612	0.94
214_F	230_W	0.611	0.94
38_I	42_G	0.610	0.94
271_S	276_D	0.610	0.94
229_A	232_R	0.609	0.94
179_K	187_N	0.608	0.93
149_E	154_N	0.608	0.93
230_W	239_Q	0.605	0.93
181_I	229_A	0.604	0.93
6_I	28_V	0.602	0.93
98_N	246_S	0.602	0.93
102_H	176_L	0.599	0.93
15_C	18_Y	0.592	0.93
230_W	233_V	0.588	0.92
74_K	98_N	0.587	0.92
179_K	250_D	0.586	0.92
191_A	195_V	0.586	0.92
236_V	239_Q	0.586	0.92
183_N	249_V	0.586	0.92
105_D	108_D	0.585	0.92
104_H	269_E	0.585	0.92
100_M	180_L	0.583	0.92
191_A	257_T	0.582	0.92
233_V	240_T	0.581	0.92
95_F	103_I	0.580	0.92
18_Y	162_S	0.578	0.92
246_S	258_E	0.578	0.92
98_N	183_N	0.575	0.91
234_Q	237_C	0.573	0.91
39_Q	58_A	0.573	0.91
120_V	138_G	0.573	0.91
43_I	47_K	0.570	0.91
173_Y	224_E	0.569	0.91
126_R	132_V	0.568	0.91
116_Y	144_A	0.568	0.91
2_K	67_D	0.567	0.91
24_D	57_S	0.567	0.91
153_L	156_L	0.566	0.91
69_L	85_L	0.566	0.91
73_V	77_Q	0.565	0.91
14_L	134_H	0.562	0.91
145_F	173_Y	0.561	0.90
119_I	175_L	0.558	0.90
117_V	145_F	0.558	0.90
96_L	120_V	0.558	0.90
198_G	202_T	0.557	0.90
186_I	236_V	0.556	0.90
266_L	277_A	0.555	0.90
247_M	257_T	0.553	0.90
227_E	231_E	0.552	0.90
186_I	240_T	0.551	0.90
247_M	250_D	0.549	0.89
14_L	18_Y	0.548	0.89
15_C	72_T	0.546	0.89
117_V	172_W	0.546	0.89
173_Y	176_L	0.545	0.89
122_H	138_G	0.545	0.89
6_I	84_S	0.545	0.89
181_I	218_C	0.544	0.89
229_A	240_T	0.544	0.89
198_G	242_E	0.544	0.89
88_I	113_H	0.543	0.89
196_K	244_R	0.542	0.89
34_Q	37_A	0.540	0.89
98_N	258_E	0.539	0.89
65_D	89_G	0.538	0.89
214_F	233_V	0.538	0.89
77_Q	256_Q	0.537	0.88
19_L	70_V	0.535	0.88
182_V	236_V	0.535	0.88
45_L	52_F	0.533	0.88
191_A	248_L	0.533	0.88
201_L	237_C	0.532	0.88
37_A	129_D	0.532	0.88
156_L	166_I	0.531	0.88
31_R	36_A	0.530	0.88
31_R	34_Q	0.529	0.88
142_W	168_Y	0.526	0.87
2_K	26_T	0.526	0.87
185_C	188_P	0.526	0.87
287_I	291_E	0.525	0.87
30_R	77_Q	0.524	0.87
219_R	276_D	0.522	0.87
138_G	243_N	0.522	0.87
178_G	228_K	0.520	0.87
28_V	103_I	0.520	0.87
150_P	153_L	0.517	0.87
229_A	233_V	0.516	0.86
44_R	53_R	0.513	0.86
19_L	162_S	0.513	0.86
9_G	98_N	0.508	0.86
52_F	58_A	0.507	0.85
24_D	55_D	0.506	0.85
264_G	280_L	0.505	0.85
99_G	179_K	0.503	0.85
206_Y	209_F	0.503	0.85
233_V	236_V	0.502	0.85
123_G	243_N	0.502	0.85
13_L	27_V	0.501	0.85
10_S	259_A	0.500	0.85

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
3egoA	2	0.9765	100	0.35	Contact Map
3wfiA	2	0.9966	100	0.359	Contact Map
2ew2A	2	0.9966	100	0.37	Contact Map
3ghyA	2	0.9933	100	0.397	Contact Map
3i83A	2	0.9899	100	0.406	Contact Map
3hn2A	2	0.9765	100	0.407	Contact Map
3hwrA	2	0.9732	100	0.416	Contact Map
2qytA	1	0.8926	100	0.418	Contact Map
1ks9A	1	0.943	100	0.437	Contact Map
4ol9A	2	0.9564	100	0.438	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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