PANE - HALSA - GREMLIN Contacts

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PANE - Putative 2-dehydropantoate 2-reductase

UniProt:	Q9HRF0	Sequences: MRVVVQGPGSLGSLVGGVLAGGETAVTLLGHQSEHLTRVREDGLRVVQPDGTTRVTRPSVATDPSVVADADLVVVCVKSYDTASAARALGRQCDGAMVLTLQNGLGNAAVLAEHVPADTVLVGTTTHGAARTEPGVVRHAGGGETTIGRYRGANDARVASVAAAFSTGGMETTVTASPQRAVWEKVLVNVGINAATALADVDNGALVECPPGERVLERAVTEGVRVAEAEGVSVSESVVERARQVAARTASNESSMRQDLAGGARTEVESLHGAVVERARDHDIAVPVIRTLADLVRLAQRDG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	303 (297)
Sequences:	5094 (3972)
Seq/√Len:	230.5

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
253_E	261_A	4.424	1.00
280_R	290_R	4.373	1.00
279_A	286_V	3.945	1.00
230_E	282_H	3.457	1.00
4_V	70_A	2.998	1.00
2_R	25_A	2.928	1.00
16_G	28_L	2.912	1.00
226_V	286_V	2.799	1.00
219_A	292_L	2.729	1.00
196_T	254_S	2.693	1.00
276_V	290_R	2.592	1.00
37_T	41_E	2.530	1.00
278_R	281_D	2.460	1.00
272_H	289_I	2.414	1.00
149_R	155_D	2.370	1.00
269_E	297_R	2.351	1.00
257_R	261_A	2.191	1.00
200_D	261_A	2.172	1.00
72_L	99_L	2.161	1.00
74_V	99_L	2.150	1.00
47_V	136_V	2.137	1.00
82_T	102_Q	2.132	1.00
253_E	257_R	2.128	1.00
230_E	278_R	2.125	1.00
33_S	37_T	2.110	1.00
286_V	290_R	2.084	1.00
18_V	21_G	1.901	1.00
218_R	288_V	1.888	1.00
3_V	164_A	1.886	1.00
149_R	157_R	1.875	1.00
132_T	138_R	1.851	1.00
34_E	37_T	1.830	1.00
219_A	288_V	1.829	1.00
36_L	40_R	1.826	1.00
38_R	42_D	1.826	1.00
202_D	205_A	1.824	1.00
6_Q	85_A	1.820	1.00
8_P	28_L	1.799	1.00
83_A	110_V	1.754	1.00
177_S	180_R	1.735	1.00
144_E	173_T	1.725	1.00
87_R	114_H	1.718	1.00
183_W	227_A	1.689	1.00
146_T	175_T	1.644	1.00
3_V	72_L	1.638	1.00
187_L	223_G	1.632	1.00
190_V	223_G	1.627	1.00
200_D	257_R	1.620	1.00
21_G	53_T	1.603	1.00
45_R	52_T	1.594	1.00
90_G	114_H	1.591	1.00
101_L	123_G	1.590	1.00
24_T	167_T	1.589	1.00
162_A	166_S	1.585	1.00
93_C	96_A	1.583	1.00
148_G	178_P	1.578	1.00
189_N	193_N	1.572	1.00
278_R	282_H	1.550	1.00
285_A	290_R	1.540	1.00
276_V	286_V	1.502	1.00
197_A	260_L	1.494	1.00
72_L	161_V	1.480	1.00
268_V	296_V	1.472	1.00
198_L	295_L	1.468	1.00
13_S	137_V	1.466	1.00
159_A	163_A	1.452	1.00
48_Q	139_H	1.438	1.00
121_L	158_V	1.428	1.00
229_A	284_I	1.420	1.00
30_G	36_L	1.412	1.00
293_A	297_R	1.406	1.00
272_H	293_A	1.403	1.00
204_G	250_A	1.402	1.00
175_T	181_A	1.398	1.00
215_V	291_T	1.386	1.00
266_T	296_V	1.382	1.00
269_E	293_A	1.377	1.00
240_E	244_Q	1.339	1.00
45_R	136_V	1.337	1.00
226_V	275_V	1.332	1.00
276_V	293_A	1.318	1.00
14_L	129_A	1.314	1.00
213_E	247_A	1.311	1.00
15_V	101_L	1.311	1.00
194_A	256_M	1.303	1.00
213_E	217_E	1.299	1.00
227_A	234_V	1.288	1.00
200_D	299_A	1.287	1.00
82_T	107_N	1.282	1.00
47_V	138_R	1.281	1.00
125_T	145_T	1.273	1.00
47_V	52_T	1.267	1.00
106_G	109_A	1.264	1.00
116_P	119_T	1.263	1.00
87_R	90_G	1.262	1.00
290_R	294_D	1.261	1.00
279_A	284_I	1.246	1.00
155_D	159_A	1.234	1.00
269_E	277_E	1.226	1.00
260_L	266_T	1.225	1.00
158_V	174_V	1.224	1.00
37_T	40_R	1.216	1.00
217_E	221_T	1.212	1.00
84_S	87_R	1.211	1.00
97_M	157_R	1.205	1.00
83_A	113_E	1.203	1.00
35_H	39_V	1.200	1.00
99_L	123_G	1.199	1.00
98_V	115_V	1.198	1.00
27_T	70_A	1.198	1.00
30_G	39_V	1.196	1.00
163_A	166_S	1.172	1.00
5_V	74_V	1.169	1.00
3_V	24_T	1.162	1.00
83_A	87_R	1.162	1.00
201_V	205_A	1.157	1.00
108_A	182_V	1.152	1.00
112_A	117_A	1.147	1.00
4_V	73_V	1.146	1.00
79_S	270_S	1.143	1.00
84_S	88_A	1.139	1.00
97_M	121_L	1.138	1.00
291_T	295_L	1.130	1.00
33_S	36_L	1.129	1.00
4_V	29_L	1.129	1.00
223_G	275_V	1.118	1.00
219_A	289_I	1.108	1.00
277_E	281_D	1.103	1.00
100_T	111_L	1.098	1.00
229_A	282_H	1.096	1.00
11_L	76_C	1.091	1.00
163_A	167_T	1.088	1.00
286_V	289_I	1.085	1.00
156_A	159_A	1.072	1.00
274_A	277_E	1.067	1.00
274_A	278_R	1.067	1.00
133_E	136_V	1.060	1.00
215_V	288_V	1.058	1.00
45_R	54_R	1.057	1.00
217_E	239_V	1.057	1.00
72_L	97_M	1.043	1.00
162_A	174_V	1.040	1.00
105_L	274_A	1.039	1.00
127_H	139_H	1.036	1.00
13_S	44_L	1.027	1.00
202_D	251_S	1.017	1.00
193_N	256_M	1.008	1.00
124_T	182_V	1.008	1.00
288_V	291_T	1.005	1.00
230_E	281_D	0.998	1.00
97_M	161_V	0.991	1.00
149_R	152_G	0.988	1.00
25_A	59_S	0.982	1.00
149_R	158_V	0.981	1.00
116_P	120_V	0.979	1.00
194_A	272_H	0.979	1.00
195_A	206_L	0.977	1.00
284_I	287_P	0.972	1.00
244_Q	247_A	0.968	1.00
40_R	60_V	0.953	1.00
198_L	299_A	0.950	1.00
166_S	172_T	0.949	1.00
180_R	184_E	0.942	1.00
185_K	255_S	0.942	1.00
279_A	285_A	0.941	1.00
130_A	140_A	0.940	1.00
64_P	67_V	0.936	1.00
130_A	138_R	0.933	1.00
226_V	279_A	0.933	1.00
191_G	220_V	0.931	1.00
30_G	33_S	0.930	1.00
103_N	185_K	0.923	1.00
6_Q	73_V	0.920	1.00
160_S	163_A	0.910	1.00
244_Q	248_R	0.900	0.99
11_L	125_T	0.899	0.99
67_V	70_A	0.897	0.99
200_D	260_L	0.897	0.99
48_Q	51_G	0.896	0.99
258_Q	262_G	0.895	0.99
225_R	228_E	0.894	0.99
210_P	214_R	0.891	0.99
35_H	134_P	0.891	0.99
147_I	162_A	0.889	0.99
132_T	136_V	0.889	0.99
69_D	96_A	0.888	0.99
129_A	137_V	0.887	0.99
196_T	206_L	0.881	0.99
239_V	243_R	0.874	0.99
82_T	100_T	0.874	0.99
15_V	125_T	0.873	0.99
146_T	181_A	0.865	0.99
5_V	26_V	0.861	0.99
199_A	295_L	0.860	0.99
214_R	218_R	0.856	0.99
63_D	66_V	0.854	0.99
8_P	16_G	0.854	0.99
35_H	131_R	0.853	0.99
186_V	271_L	0.849	0.99
81_D	84_S	0.849	0.99
39_V	135_G	0.849	0.99
240_E	243_R	0.849	0.99
218_R	290_R	0.848	0.99
130_A	258_Q	0.844	0.99
86_A	114_H	0.840	0.99
109_A	113_E	0.840	0.99
78_K	185_K	0.840	0.99
80_Y	265_R	0.839	0.99
106_G	274_A	0.838	0.99
87_R	91_R	0.838	0.99
8_P	13_S	0.836	0.99
2_R	69_D	0.836	0.99
5_V	16_G	0.834	0.99
74_V	101_L	0.834	0.99
195_A	216_L	0.833	0.99
280_R	286_V	0.829	0.99
73_V	98_V	0.828	0.99
27_T	61_A	0.827	0.99
213_E	243_R	0.825	0.99
123_G	145_T	0.821	0.99
4_V	92_Q	0.821	0.99
221_T	225_R	0.820	0.99
78_K	267_E	0.819	0.99
73_V	93_C	0.815	0.99
291_T	294_D	0.815	0.99
273_G	277_E	0.813	0.99
273_G	293_A	0.812	0.99
224_V	228_E	0.810	0.99
14_L	127_H	0.807	0.99
112_A	150_Y	0.807	0.99
78_K	259_D	0.807	0.99
42_D	136_V	0.805	0.99
112_A	116_P	0.805	0.99
2_R	68_A	0.805	0.99
186_V	275_V	0.804	0.99
108_A	112_A	0.801	0.99
205_A	208_E	0.800	0.99
9_G	12_G	0.797	0.99
272_H	275_V	0.796	0.99
203_N	252_N	0.789	0.99
184_E	235_S	0.788	0.99
36_L	60_V	0.787	0.99
97_M	119_T	0.785	0.99
249_T	252_N	0.785	0.99
255_S	259_D	0.784	0.99
17_G	46_V	0.775	0.98
75_V	98_V	0.774	0.98
156_A	160_S	0.774	0.98
4_V	27_T	0.772	0.98
269_E	273_G	0.772	0.98
108_A	122_V	0.768	0.98
225_R	229_A	0.768	0.98
199_A	215_V	0.767	0.98
79_S	107_N	0.767	0.98
193_N	255_S	0.763	0.98
221_T	239_V	0.755	0.98
180_R	232_V	0.752	0.98
100_T	107_N	0.751	0.98
78_K	255_S	0.749	0.98
128_G	140_A	0.749	0.98
146_T	173_T	0.748	0.98
259_D	267_E	0.747	0.98
208_E	250_A	0.744	0.98
214_R	217_E	0.743	0.98
24_T	164_A	0.741	0.98
207_V	247_A	0.741	0.98
241_R	244_Q	0.740	0.98
14_L	139_H	0.738	0.98
46_V	53_T	0.737	0.98
75_V	100_T	0.735	0.98
111_L	120_V	0.732	0.98
253_E	258_Q	0.729	0.98
152_G	155_D	0.729	0.98
295_L	299_A	0.728	0.98
190_V	289_I	0.727	0.98
277_E	280_R	0.725	0.98
243_R	247_A	0.723	0.98
242_A	246_A	0.722	0.98
275_V	289_I	0.720	0.97
15_V	145_T	0.719	0.97
69_D	95_G	0.717	0.97
85_A	88_A	0.717	0.97
188_V	192_I	0.717	0.97
218_R	294_D	0.714	0.97
246_A	249_T	0.710	0.97
193_N	197_A	0.706	0.97
73_V	96_A	0.706	0.97
220_V	239_V	0.706	0.97
223_G	226_V	0.705	0.97
187_L	238_V	0.704	0.97
6_Q	77_V	0.703	0.97
212_G	298_L	0.703	0.97
18_V	168_G	0.700	0.97
188_V	245_V	0.699	0.97
15_V	74_V	0.699	0.97
276_V	289_I	0.697	0.97
47_V	132_T	0.697	0.97
189_N	271_L	0.695	0.97
192_I	246_A	0.693	0.97
154_N	159_A	0.691	0.97
238_V	242_A	0.690	0.97
20_A	28_L	0.688	0.97
228_E	233_S	0.685	0.97
206_L	246_A	0.684	0.97
192_I	252_N	0.683	0.97
6_Q	88_A	0.683	0.97
184_E	241_R	0.678	0.96
121_L	149_R	0.678	0.96
161_V	165_F	0.675	0.96
192_I	249_T	0.674	0.96
22_G	168_G	0.673	0.96
42_D	45_R	0.672	0.96
69_D	94_D	0.672	0.96
194_A	197_A	0.672	0.96
162_A	172_T	0.671	0.96
102_Q	107_N	0.666	0.96
86_A	111_L	0.665	0.96
147_I	172_T	0.665	0.96
106_G	277_E	0.664	0.96
122_V	150_Y	0.663	0.96
107_N	111_L	0.661	0.96
39_V	43_G	0.660	0.96
34_E	38_R	0.660	0.96
179_Q	230_E	0.659	0.96
204_G	208_E	0.658	0.96
6_Q	29_L	0.658	0.96
101_L	125_T	0.657	0.96
70_A	73_V	0.657	0.96
190_V	271_L	0.654	0.96
122_V	182_V	0.651	0.95
144_E	171_E	0.650	0.95
217_E	240_E	0.650	0.95
259_D	264_A	0.650	0.95
85_A	89_L	0.649	0.95
17_G	20_A	0.646	0.95
209_C	212_G	0.645	0.95
280_R	285_A	0.644	0.95
53_T	56_T	0.643	0.95
260_L	299_A	0.642	0.95
225_R	284_I	0.637	0.95
185_K	193_N	0.636	0.95
78_K	103_N	0.635	0.95
275_V	279_A	0.634	0.95
75_V	111_L	0.631	0.95
35_H	38_R	0.626	0.94
35_H	44_L	0.626	0.94
279_A	287_P	0.626	0.94
230_E	284_I	0.623	0.94
194_A	292_L	0.621	0.94
36_L	62_T	0.621	0.94
256_M	259_D	0.621	0.94
55_V	58_P	0.618	0.94
175_T	178_P	0.614	0.94
215_V	295_L	0.614	0.94
125_T	143_G	0.614	0.94
103_N	189_N	0.613	0.94
236_E	240_E	0.612	0.94
235_S	238_V	0.612	0.94
186_V	189_N	0.608	0.93
239_V	242_A	0.605	0.93
44_L	48_Q	0.604	0.93
237_S	240_E	0.603	0.93
202_D	253_E	0.603	0.93
193_N	258_Q	0.603	0.93
193_N	271_L	0.602	0.93
272_H	276_V	0.601	0.93
192_I	203_N	0.600	0.93
185_K	259_D	0.600	0.93
122_V	178_P	0.597	0.93
77_V	81_D	0.596	0.93
2_R	71_D	0.595	0.93
192_I	245_V	0.595	0.93
226_V	284_I	0.595	0.93
99_L	121_L	0.593	0.93
204_G	251_S	0.593	0.93
166_S	171_E	0.593	0.93
201_V	206_L	0.589	0.92
15_V	76_C	0.588	0.92
75_V	85_A	0.586	0.92
15_V	18_V	0.586	0.92
103_N	255_S	0.584	0.92
81_D	85_A	0.579	0.92
217_E	243_R	0.577	0.92
203_N	249_T	0.576	0.92
187_L	224_V	0.576	0.92
256_M	266_T	0.576	0.92
105_L	186_V	0.574	0.91
31_H	81_D	0.573	0.91
93_C	118_D	0.573	0.91
124_T	181_A	0.571	0.91
212_G	215_V	0.570	0.91
128_G	249_T	0.569	0.91
159_A	162_A	0.564	0.91
38_R	134_P	0.564	0.91
111_L	115_V	0.561	0.90
199_A	212_G	0.560	0.90
14_L	143_G	0.560	0.90
179_Q	182_V	0.556	0.90
197_A	257_R	0.554	0.90
197_A	266_T	0.553	0.90
150_Y	179_Q	0.553	0.90
103_N	267_E	0.549	0.90
159_A	174_V	0.549	0.90
195_A	219_A	0.549	0.90
77_V	82_T	0.548	0.89
275_V	286_V	0.546	0.89
13_S	35_H	0.544	0.89
71_D	95_G	0.544	0.89
101_L	145_T	0.541	0.89
189_N	255_S	0.540	0.89
14_L	18_V	0.540	0.89
2_R	27_T	0.540	0.89
238_V	241_R	0.540	0.89
197_A	256_M	0.539	0.89
8_P	30_G	0.538	0.89
197_A	201_V	0.537	0.88
157_R	160_S	0.537	0.88
127_H	143_G	0.534	0.88
185_K	189_N	0.533	0.88
255_S	267_E	0.533	0.88
225_R	285_A	0.532	0.88
147_I	165_F	0.531	0.88
109_A	278_R	0.530	0.88
128_G	252_N	0.529	0.88
194_A	296_V	0.528	0.88
78_K	193_N	0.527	0.88
22_G	26_V	0.527	0.88
94_D	118_D	0.526	0.87
48_Q	52_T	0.525	0.87
19_L	74_V	0.522	0.87
190_V	219_A	0.521	0.87
147_I	158_V	0.520	0.87
260_L	296_V	0.519	0.87
19_L	26_V	0.518	0.87
207_V	246_A	0.518	0.87
268_V	297_R	0.517	0.87
76_C	101_L	0.517	0.87
40_R	62_T	0.517	0.87
107_N	182_V	0.516	0.86
131_R	137_V	0.516	0.86
110_V	113_E	0.514	0.86
160_S	164_A	0.506	0.85
126_T	144_E	0.506	0.85
237_S	241_R	0.503	0.85
30_G	35_H	0.501	0.85
141_G	249_T	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)
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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
3wfiA	2	0.9967	100	0.318	Contact Map
2ew2A	2	0.9967	100	0.327	Contact Map
3egoA	2	0.9604	100	0.342	Contact Map
3hn2A	2	0.9901	100	0.344	Contact Map
3i83A	2	0.9901	100	0.345	Contact Map
3ghyA	2	0.9901	100	0.346	Contact Map
2qytA	1	0.9109	100	0.361	Contact Map
3hwrA	2	0.9703	100	0.366	Contact Map
4ol9A	2	0.9538	100	0.393	Contact Map
1ks9A	1	0.9439	100	0.398	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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