PPAC - BACSU - GREMLIN Contacts

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PPAC - Manganese-dependent inorganic pyrophosphatase

UniProt:	P37487	Sequences: MEKILIFGHQNPDTDTICSAIAYADLKNKLGFNAEPVRLGQVNGETQYALDYFKQESPRLVETAANEVNGVILVDHNERQQSIKDIEEVQVLEVIDHHRIANFETAEPLYYRAEPVGCTATILNKMYKENNVKIEKEIAGLMLSAIISDSLLFKSPTCTDQDVAAAKELAEIAGVDAEEYGLNMLKAGADLSKKTVEELISLDAKEFTLGSKKVEIAQVNTVDIEDVKKRQAELEAVISKVVAEKNLDLFLLVITDILENDSLALAIGNEAAKVEKAFNVTLENNTALLKGVVSRKKQVVPVLTDAMAE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	309 (303)
Sequences:	1676 (1134)
Seq/√Len:	65.1

BACSU - PPAC

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
144_S	180_Y	4.792	1.00
70_G	90_Q	4.293	1.00
204_A	215_E	3.928	1.00
216_I	300_V	3.761	1.00
128_K	168_E	3.757	1.00
176_D	179_E	3.618	1.00
135_E	138_I	3.474	1.00
160_D	164_A	3.298	1.00
253_V	262_S	3.291	1.00
143_L	175_V	3.252	1.00
10_Q	84_K	2.965	1.00
160_D	163_V	2.897	1.00
196_V	233_E	2.849	1.00
125_K	161_Q	2.842	1.00
112_R	129_E	2.809	1.00
256_D	259_E	2.655	1.00
47_Q	51_D	2.629	1.00
72_I	93_E	2.596	1.00
163_V	167_K	2.552	1.00
289_L	292_V	2.428	1.00
152_L	181_G	2.366	1.00
179_E	183_N	2.329	1.00
195_T	198_E	2.227	1.00
143_L	166_A	2.224	1.00
27_K	93_E	2.217	1.00
280_V	287_A	2.217	1.00
239_S	243_A	2.188	1.00
114_E	125_K	2.179	1.00
275_E	281_T	2.171	1.00
124_N	165_A	2.161	1.00
120_A	142_M	2.159	1.00
63_T	66_N	2.135	1.00
24_A	34_A	2.128	1.00
117_G	150_S	2.063	1.00
153_F	166_A	2.037	1.00
147_I	152_L	2.015	1.00
38_R	60_L	1.996	1.00
231_Q	235_E	1.967	1.00
253_V	299_V	1.955	1.00
197_E	244_E	1.946	1.00
209_L	214_V	1.930	1.00
61_V	64_A	1.924	1.00
153_F	158_C	1.896	1.00
90_Q	107_E	1.845	1.00
124_N	168_E	1.801	1.00
166_A	177_A	1.788	1.00
35_E	59_R	1.756	1.00
167_K	171_E	1.752	1.00
26_L	30_L	1.746	1.00
240_K	244_E	1.742	1.00
55_Q	141_L	1.723	0.99
253_V	264_A	1.720	0.99
242_V	267_I	1.696	0.99
23_Y	93_E	1.688	0.99
116_V	121_T	1.644	0.99
170_A	177_A	1.641	0.99
230_R	233_E	1.622	0.99
236_A	240_K	1.616	0.99
237_V	240_K	1.601	0.99
238_I	250_F	1.580	0.99
25_D	135_E	1.577	0.99
25_D	127_Y	1.562	0.99
63_T	85_D	1.560	0.99
71_V	86_I	1.543	0.99
19_S	120_A	1.536	0.99
23_Y	27_K	1.533	0.99
206_E	213_K	1.521	0.99
218_Q	255_T	1.514	0.99
53_F	140_G	1.506	0.99
263_L	286_T	1.464	0.98
30_L	130_N	1.461	0.98
23_Y	72_I	1.445	0.98
24_A	28_N	1.441	0.98
14_T	49_A	1.434	0.98
206_E	245_K	1.423	0.98
51_D	54_K	1.414	0.98
100_I	111_Y	1.406	0.98
114_E	161_Q	1.391	0.98
212_K	248_D	1.390	0.98
75_D	97_H	1.388	0.98
118_C	142_M	1.378	0.97
136_K	174_G	1.374	0.97
25_D	29_K	1.368	0.97
215_E	247_L	1.360	0.97
52_Y	183_N	1.357	0.97
124_N	128_K	1.356	0.97
151_L	293_V	1.356	0.97
261_D	288_L	1.340	0.97
151_L	181_G	1.319	0.97
112_R	126_M	1.318	0.97
55_Q	137_E	1.318	0.97
82_S	86_I	1.316	0.97
196_V	237_V	1.314	0.97
118_C	145_A	1.300	0.96
21_I	50_L	1.293	0.96
165_A	168_E	1.281	0.96
200_I	237_V	1.262	0.96
22_A	25_D	1.245	0.95
197_E	237_V	1.245	0.95
79_R	91_V	1.242	0.95
231_Q	286_T	1.239	0.95
76_H	82_S	1.229	0.95
107_E	110_Y	1.229	0.95
27_K	72_I	1.226	0.95
208_T	211_S	1.219	0.95
22_A	120_A	1.218	0.95
215_E	250_F	1.211	0.95
28_N	33_N	1.205	0.95
147_I	166_A	1.191	0.94
79_R	87_E	1.190	0.94
152_L	178_E	1.171	0.94
77_N	98_H	1.165	0.93
239_S	242_V	1.146	0.93
18_C	22_A	1.137	0.93
37_V	61_V	1.131	0.92
188_G	220_N	1.122	0.92
22_A	138_I	1.110	0.92
181_G	185_L	1.107	0.92
209_L	300_V	1.105	0.92
42_V	60_L	1.104	0.91
94_V	103_F	1.104	0.91
18_C	141_L	1.087	0.91
200_I	238_I	1.080	0.91
221_T	254_I	1.078	0.90
120_A	124_N	1.072	0.90
25_D	138_I	1.070	0.90
23_Y	95_I	1.070	0.90
42_V	47_Q	1.057	0.90
6_I	25_D	1.055	0.90
303_L	307_M	1.055	0.90
204_A	217_A	1.052	0.89
145_A	153_F	1.039	0.89
158_C	163_V	1.029	0.88
240_K	243_A	1.023	0.88
124_N	142_M	1.021	0.88
76_H	83_I	1.015	0.88
78_E	99_R	1.010	0.87
95_I	126_M	0.996	0.87
238_I	267_I	0.995	0.87
17_I	38_R	0.993	0.86
9_H	12_P	0.974	0.85
64_A	83_I	0.963	0.85
5_L	35_E	0.959	0.84
10_Q	76_H	0.958	0.84
207_F	300_V	0.954	0.84
27_K	30_L	0.954	0.84
28_N	34_A	0.953	0.84
196_V	230_R	0.953	0.84
38_R	42_V	0.946	0.84
121_T	165_A	0.941	0.83
26_L	127_Y	0.935	0.83
138_I	142_M	0.927	0.82
235_E	285_N	0.927	0.82
7_F	71_V	0.922	0.82
238_I	252_L	0.922	0.82
118_C	121_T	0.921	0.82
70_G	92_L	0.921	0.82
194_K	202_L	0.920	0.82
134_I	142_M	0.917	0.82
227_V	234_L	0.914	0.82
8_G	13_D	0.909	0.81
65_A	88_E	0.909	0.81
18_C	49_A	0.903	0.81
300_V	303_L	0.903	0.81
68_V	89_V	0.897	0.80
206_E	247_L	0.890	0.80
100_I	113_A	0.890	0.80
97_H	149_D	0.890	0.80
155_S	298_Q	0.887	0.80
251_L	303_L	0.883	0.79
7_F	16_T	0.883	0.79
150_S	153_F	0.877	0.79
168_E	171_E	0.876	0.79
171_E	174_G	0.875	0.79
6_I	24_A	0.870	0.78
49_A	184_M	0.870	0.78
224_I	228_K	0.868	0.78
217_A	252_L	0.867	0.78
75_D	98_H	0.865	0.78
49_A	150_S	0.862	0.78
118_C	146_I	0.852	0.77
5_L	37_V	0.850	0.77
118_C	153_F	0.846	0.76
260_N	293_V	0.844	0.76
216_I	303_L	0.835	0.75
154_K	260_N	0.834	0.75
97_H	117_G	0.833	0.75
16_T	120_A	0.831	0.75
208_T	213_K	0.831	0.75
251_L	264_A	0.830	0.75
183_N	240_K	0.822	0.74
143_L	173_A	0.822	0.74
131_N	134_I	0.821	0.74
166_A	170_A	0.819	0.74
65_A	85_D	0.819	0.74
186_K	223_D	0.818	0.74
239_S	267_I	0.812	0.73
25_D	28_N	0.810	0.73
201_S	241_V	0.809	0.73
241_V	244_E	0.807	0.73
75_D	96_D	0.804	0.73
152_L	177_A	0.804	0.73
161_Q	164_A	0.802	0.72
300_V	304_T	0.800	0.72
278_F	306_A	0.800	0.72
7_F	39_L	0.798	0.72
8_G	16_T	0.797	0.72
232_A	236_A	0.795	0.72
94_V	111_Y	0.794	0.72
8_G	15_D	0.790	0.71
191_L	221_T	0.786	0.71
264_A	303_L	0.781	0.70
225_E	228_K	0.778	0.70
7_F	37_V	0.775	0.70
6_I	34_A	0.775	0.70
125_K	165_A	0.772	0.69
212_K	270_E	0.770	0.69
6_I	72_I	0.767	0.69
119_T	123_L	0.763	0.69
105_T	108_P	0.762	0.68
241_V	250_F	0.762	0.68
252_L	257_I	0.761	0.68
127_Y	138_I	0.760	0.68
79_R	86_I	0.760	0.68
112_R	125_K	0.758	0.68
75_D	149_D	0.753	0.67
37_V	59_R	0.747	0.67
77_N	111_Y	0.747	0.67
146_I	165_A	0.743	0.66
170_A	173_A	0.742	0.66
21_I	24_A	0.741	0.66
22_A	142_M	0.740	0.66
224_I	256_D	0.739	0.66
23_Y	127_Y	0.739	0.66
39_L	201_S	0.739	0.66
209_L	304_T	0.736	0.66
19_S	119_T	0.735	0.66
17_I	46_T	0.733	0.65
126_M	129_E	0.732	0.65
199_L	217_A	0.731	0.65
194_K	198_E	0.729	0.65
274_V	277_A	0.728	0.65
146_I	169_L	0.727	0.65
38_R	41_Q	0.726	0.65
204_A	247_L	0.725	0.65
22_A	123_L	0.724	0.64
190_D	193_K	0.724	0.64
9_H	43_N	0.721	0.64
44_G	190_D	0.717	0.64
124_N	134_I	0.717	0.64
31_G	34_A	0.715	0.63
99_R	304_T	0.713	0.63
146_I	153_F	0.711	0.63
120_A	145_A	0.711	0.63
21_I	55_Q	0.711	0.63
228_K	263_L	0.711	0.63
72_I	92_L	0.711	0.63
216_I	253_V	0.709	0.63
220_N	289_L	0.709	0.63
261_D	290_K	0.708	0.63
23_Y	123_L	0.708	0.63
75_D	117_G	0.707	0.63
193_K	230_R	0.707	0.63
233_E	236_A	0.706	0.62
274_V	287_A	0.701	0.62
224_I	254_I	0.699	0.62
18_C	145_A	0.695	0.61
272_A	285_N	0.695	0.61
282_L	287_A	0.694	0.61
234_L	265_L	0.693	0.61
20_A	74_V	0.693	0.61
224_I	263_L	0.692	0.61
221_T	224_I	0.692	0.61
150_S	158_C	0.691	0.61
266_A	282_L	0.687	0.60
171_E	178_E	0.685	0.60
69_N	89_V	0.685	0.60
221_T	256_D	0.682	0.60
29_K	135_E	0.681	0.60
149_D	162_D	0.676	0.59
16_T	93_E	0.675	0.59
190_D	247_L	0.674	0.59
181_G	257_I	0.674	0.59
204_A	250_F	0.672	0.59
156_P	298_Q	0.672	0.59
158_C	166_A	0.670	0.58
167_K	177_A	0.670	0.58
73_L	76_H	0.666	0.58
128_K	164_A	0.660	0.57
273_K	276_K	0.659	0.57
164_A	167_K	0.658	0.57
9_H	157_T	0.657	0.57
193_K	237_V	0.656	0.57
47_Q	57_S	0.655	0.57
95_I	102_N	0.654	0.57
272_A	275_E	0.654	0.57
24_A	142_M	0.647	0.56
241_V	247_L	0.647	0.56
248_D	270_E	0.647	0.56
54_K	137_E	0.646	0.56
234_L	252_L	0.646	0.56
208_T	212_K	0.644	0.55
134_I	168_E	0.643	0.55
18_C	38_R	0.640	0.55
78_E	81_Q	0.639	0.55
77_N	99_R	0.637	0.55
217_A	250_F	0.636	0.55
17_I	50_L	0.635	0.54
218_Q	295_R	0.635	0.54
74_V	123_L	0.635	0.54
120_A	192_S	0.634	0.54
218_Q	262_S	0.629	0.54
263_L	288_L	0.628	0.54
28_N	32_F	0.628	0.54
197_E	241_V	0.627	0.54
42_V	57_S	0.627	0.54
18_C	27_K	0.627	0.54
247_L	299_V	0.627	0.54
137_E	141_L	0.626	0.53
41_Q	47_Q	0.625	0.53
191_L	199_L	0.625	0.53
182_L	186_K	0.624	0.53
56_E	59_R	0.624	0.53
19_S	23_Y	0.623	0.53
199_L	258_L	0.623	0.53
21_I	138_I	0.621	0.53
118_C	165_A	0.620	0.53
139_A	169_L	0.620	0.53
291_G	294_S	0.619	0.53
48_Y	52_Y	0.618	0.52
255_T	294_S	0.613	0.52
252_L	265_L	0.611	0.52
235_E	239_S	0.609	0.51
121_T	159_T	0.608	0.51
151_L	188_G	0.607	0.51
154_K	178_E	0.607	0.51
214_V	300_V	0.605	0.51
95_I	123_L	0.605	0.51
232_A	235_E	0.603	0.51
197_E	236_A	0.603	0.51
235_E	286_T	0.602	0.51
9_H	296_K	0.600	0.50
80_Q	102_N	0.599	0.50
213_K	247_L	0.598	0.50
138_I	141_L	0.596	0.50
202_L	217_A	0.594	0.50
160_D	243_A	0.593	0.50
144_S	159_T	0.593	0.50
270_E	273_K	0.591	0.49
110_Y	114_E	0.590	0.49
9_H	15_D	0.590	0.49
27_K	34_A	0.589	0.49
13_D	16_T	0.585	0.49
174_G	177_A	0.585	0.49
244_E	272_A	0.583	0.48
161_Q	165_A	0.581	0.48
256_D	261_D	0.580	0.48
234_L	242_V	0.579	0.48
96_D	162_D	0.578	0.48
117_G	139_A	0.578	0.48
67_E	272_A	0.578	0.48
242_V	247_L	0.577	0.48
118_C	144_S	0.577	0.48
139_A	172_I	0.576	0.48
44_G	193_K	0.575	0.47
266_A	274_V	0.573	0.47
273_K	307_M	0.573	0.47
171_E	229_K	0.568	0.47
189_A	226_D	0.567	0.47
154_K	222_V	0.567	0.47
264_A	274_V	0.567	0.47
185_L	189_A	0.566	0.46
228_K	254_I	0.561	0.46
116_V	161_Q	0.559	0.46
262_S	293_V	0.558	0.45
120_A	123_L	0.557	0.45
238_I	271_A	0.555	0.45
184_M	200_I	0.555	0.45
120_A	130_N	0.555	0.45
202_L	214_V	0.553	0.45
16_T	95_I	0.551	0.45
47_Q	54_K	0.551	0.45
108_P	157_T	0.546	0.44
109_L	113_A	0.546	0.44
235_E	284_N	0.545	0.44
142_M	145_A	0.545	0.44
20_A	49_A	0.545	0.44
65_A	69_N	0.544	0.44
99_R	115_P	0.544	0.44
160_D	232_A	0.543	0.44
152_L	258_L	0.543	0.44
52_Y	55_Q	0.541	0.43
149_D	203_D	0.541	0.43
143_L	169_L	0.539	0.43
160_D	167_K	0.539	0.43
11_N	17_I	0.538	0.43
154_K	163_V	0.536	0.43
164_A	168_E	0.536	0.43
199_L	202_L	0.535	0.43
56_E	86_I	0.535	0.43
79_R	303_L	0.533	0.43
33_N	69_N	0.532	0.42
154_K	181_G	0.531	0.42
222_V	242_V	0.531	0.42
94_V	234_L	0.530	0.42
197_E	201_S	0.528	0.42
71_V	285_N	0.527	0.42
224_I	237_V	0.527	0.42
278_F	302_V	0.524	0.42
199_L	227_V	0.524	0.42
253_V	263_L	0.523	0.41
122_I	170_A	0.522	0.41
157_T	294_S	0.521	0.41
235_E	238_I	0.521	0.41
221_T	226_D	0.520	0.41
9_H	14_T	0.519	0.41
193_K	252_L	0.519	0.41
238_I	306_A	0.518	0.41
248_D	272_A	0.518	0.41
49_A	137_E	0.518	0.41
19_S	46_T	0.518	0.41
29_K	33_N	0.517	0.41
97_H	297_K	0.517	0.41
226_D	229_K	0.516	0.41
75_D	301_P	0.516	0.41
118_C	303_L	0.515	0.41
192_S	195_T	0.515	0.41
157_T	296_K	0.515	0.41
86_I	89_V	0.514	0.40
295_R	298_Q	0.513	0.40
179_E	307_M	0.513	0.40
51_D	56_E	0.512	0.40
31_G	58_P	0.512	0.40
77_N	102_N	0.511	0.40
267_I	270_E	0.510	0.40
97_H	301_P	0.508	0.40
117_G	149_D	0.508	0.40
186_K	274_V	0.507	0.40
208_T	229_K	0.506	0.40
201_S	237_V	0.506	0.40
96_D	301_P	0.506	0.40
206_E	230_R	0.506	0.40
167_K	246_N	0.505	0.39
262_S	289_L	0.503	0.39
108_P	296_K	0.503	0.39
242_V	269_N	0.503	0.39
152_L	223_D	0.502	0.39
223_D	238_I	0.502	0.39
36_P	40_G	0.502	0.39
21_I	140_G	0.502	0.39
64_A	70_G	0.502	0.39
213_K	248_D	0.501	0.39
105_T	294_S	0.501	0.39
228_K	233_E	0.500	0.39

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
1k20A	2	0.9968	100	0.313	Contact Map
2qb7A	1	0.9871	100	0.332	Contact Map
2hawA	2	0.9968	100	0.343	Contact Map
2eb0A	2	0.9644	100	0.345	Contact Map
4rpaA	3	0.9935	100	0.351	Contact Map
1wpnA	2	0.6052	100	0.593	Contact Map
4py9A	2	0.9547	100	0.655	Contact Map
4ls9A	2	0.9288	100	0.679	Contact Map
3devA	2	0.9256	100	0.681	Contact Map
2zxrA	1	0.7767	99.1	0.856	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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