PLY - BACSU - GREMLIN Contacts

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PLY - Pectate lyase

UniProt:	P39116	Sequences: MKKVMLATALFLGLTPAGANAADLGHQTLGSNDGWGAYSTGTTGGSKASSSNVYTVSNRNQLVSALGKETNTTPKIIYIKGTIDMNVDDNLKPLGLNDYKDPEYDLDKYLKAYDPSTWGKKEPSGTQEEARARSQKNQKARVMVDIPANTTIVGSGTNAKVVGGNFQIKSDNVIIRNIEFQDAYDYFPQWDPTDGSSGNWNSQYDNITINGGTHIWIDHCTFNDGSRPDSTSPKYYGRKYQHHDGQTDASNGANYITMSYNYYHDHDKSSIFGSSDSKTSDDGKLKITLHHNRYKNIVQRAPRVRFGQVHVYNNYYEGSTSSSSYPFSYAWGIGKSSKIYAQNNVIDVPGLSAAKTISVFSGGTALYDSGTLLNGTQINASAANGLSSSVGWTPSLHGSIDASANVKSNVINQAGAGKLN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	420 (355)
Sequences:	618 (439)
Seq/√Len:	23.3

BACSU - PLY PEL1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
168_I	175_I	4.051	1.00
410_V	414_A	3.965	1.00
220_C	261_N	3.947	1.00
71_N	75_K	3.877	1.00
54_Y	65_A	3.651	1.00
262_Y	295_K	3.493	1.00
91_L	138_Q	3.336	1.00
402_A	406_V	3.312	1.00
171_D	213_T	3.163	1.00
406_V	410_V	3.111	1.00
254_N	286_K	2.746	0.99
221_T	416_A	2.736	0.99
209_I	212_G	2.721	0.99
408_S	412_N	2.687	0.99
246_Q	258_M	2.672	0.99
258_M	261_N	2.634	0.99
59_R	88_D	2.612	0.99
162_V	182_D	2.503	0.98
180_F	222_F	2.498	0.98
290_H	312_Y	2.462	0.98
87_V	137_N	2.447	0.98
217_I	220_C	2.401	0.98
59_R	63_V	2.298	0.97
363_G	366_L	2.297	0.97
249_A	258_M	2.269	0.97
173_V	215_I	2.232	0.97
179_E	223_N	2.227	0.97
53_V	76_I	2.193	0.96
33_D	290_H	2.192	0.96
304_V	339_I	2.190	0.96
179_E	221_T	2.173	0.96
303_R	334_G	2.115	0.95
207_I	222_F	2.113	0.95
67_G	144_V	2.105	0.95
177_N	417_G	2.103	0.95
274_S	320_T	2.088	0.95
46_S	53_V	2.060	0.95
255_Y	286_K	2.050	0.95
247_T	263_Y	2.035	0.94
345_V	407_K	2.019	0.94
168_I	209_I	2.016	0.94
314_N	344_N	2.013	0.94
213_T	255_Y	1.993	0.94
343_N	370_G	1.981	0.93
221_T	295_K	1.950	0.93
45_G	48_A	1.924	0.92
288_T	312_Y	1.923	0.92
260_Y	291_H	1.901	0.92
117_T	120_K	1.887	0.92
401_D	409_N	1.872	0.91
168_I	173_V	1.855	0.91
389_S	392_W	1.844	0.91
270_S	294_Y	1.831	0.90
397_H	400_I	1.824	0.90
168_I	215_I	1.801	0.90
333_I	339_I	1.799	0.90
128_E	131_R	1.793	0.89
214_H	255_Y	1.784	0.89
42_T	214_H	1.778	0.89
48_A	53_V	1.770	0.89
297_I	301_A	1.715	0.87
382_A	403_S	1.702	0.87
73_T	147_P	1.701	0.87
315_Y	347_D	1.687	0.86
221_T	262_Y	1.670	0.86
63_V	67_G	1.653	0.85
403_S	406_V	1.634	0.84
27_Q	153_V	1.629	0.84
224_D	269_S	1.623	0.84
175_I	178_I	1.615	0.84
222_F	240_Y	1.604	0.83
47_K	53_V	1.599	0.83
331_W	341_A	1.598	0.83
370_G	403_S	1.586	0.83
356_T	359_V	1.564	0.82
95_G	98_D	1.558	0.81
310_H	400_I	1.550	0.81
210_N	251_N	1.548	0.81
222_F	261_N	1.533	0.80
85_M	164_G	1.532	0.80
146_I	166_F	1.503	0.79
63_V	144_V	1.496	0.79
180_F	211_G	1.495	0.79
86_N	162_V	1.492	0.78
181_Q	223_N	1.490	0.78
396_L	399_S	1.487	0.78
310_H	397_H	1.481	0.78
406_V	411_I	1.472	0.78
125_G	129_E	1.456	0.77
58_N	65_A	1.451	0.76
36_G	43_T	1.437	0.76
95_G	134_S	1.429	0.75
62_L	66_L	1.412	0.74
171_D	214_H	1.408	0.74
189_Q	269_S	1.406	0.74
371_T	377_Q	1.380	0.73
248_D	305_R	1.361	0.72
368_D	371_T	1.348	0.71
66_L	77_I	1.338	0.70
27_Q	151_T	1.301	0.68
184_Y	204_Y	1.297	0.68
401_D	406_V	1.294	0.68
105_D	108_K	1.294	0.68
170_S	345_V	1.291	0.68
125_G	130_A	1.288	0.67
282_D	336_S	1.278	0.67
58_N	83_I	1.277	0.67
161_V	418_K	1.276	0.67
175_I	217_I	1.275	0.67
155_S	158_N	1.271	0.66
408_S	411_I	1.269	0.66
169_K	210_N	1.257	0.65
152_I	371_T	1.249	0.65
18_G	173_V	1.245	0.65
222_F	263_Y	1.243	0.65
31_S	41_G	1.239	0.64
184_Y	206_N	1.234	0.64
209_I	215_I	1.224	0.63
154_G	314_N	1.222	0.63
145_D	167_Q	1.222	0.63
289_L	311_V	1.218	0.63
78_Y	155_S	1.210	0.62
386_L	390_V	1.199	0.62
114_D	118_W	1.198	0.62
21_A	24_L	1.197	0.62
58_N	77_I	1.197	0.62
66_L	71_N	1.194	0.61
288_T	414_A	1.192	0.61
410_V	415_G	1.181	0.60
361_S	367_Y	1.173	0.60
147_P	173_V	1.166	0.59
56_V	62_L	1.166	0.59
209_I	256_I	1.165	0.59
370_G	376_T	1.164	0.59
164_G	342_Q	1.161	0.59
304_V	309_V	1.157	0.59
64_S	72_T	1.155	0.59
392_W	395_S	1.155	0.59
311_V	331_W	1.152	0.58
80_K	155_S	1.125	0.57
259_S	410_V	1.120	0.56
387_S	391_G	1.114	0.56
293_R	317_E	1.114	0.56
407_K	411_I	1.113	0.56
37_A	42_T	1.110	0.56
389_S	393_T	1.106	0.55
168_I	207_I	1.105	0.55
15_T	19_A	1.104	0.55
281_D	305_R	1.101	0.55
317_E	347_D	1.080	0.54
329_Y	332_G	1.080	0.54
240_Y	263_Y	1.077	0.53
19_A	23_D	1.068	0.53
60_N	128_E	1.062	0.52
110_L	114_D	1.061	0.52
84_D	162_V	1.049	0.51
52_N	76_I	1.038	0.51
55_T	65_A	1.037	0.51
166_F	175_I	1.034	0.50
44_G	47_K	1.033	0.50
175_I	207_I	1.015	0.49
86_N	99_Y	1.009	0.49
42_T	46_S	1.008	0.48
387_S	390_V	1.006	0.48
126_T	129_E	1.001	0.48
208_T	249_A	0.999	0.48
141_R	371_T	0.993	0.47
156_G	177_N	0.988	0.47
224_D	334_G	0.986	0.47
305_R	334_G	0.984	0.47
386_L	391_G	0.982	0.47
303_R	332_G	0.982	0.47
209_I	253_A	0.974	0.46
270_S	289_L	0.973	0.46
163_G	206_N	0.972	0.46
295_K	317_E	0.971	0.46
309_V	333_I	0.967	0.46
386_L	389_S	0.965	0.46
112_A	118_W	0.965	0.46
179_E	416_A	0.965	0.46
44_G	172_N	0.965	0.46
152_I	166_F	0.963	0.45
47_K	304_V	0.960	0.45
118_W	126_T	0.958	0.45
112_A	119_G	0.951	0.45
93_P	132_A	0.949	0.44
304_V	368_D	0.947	0.44
256_I	414_A	0.947	0.44
363_G	368_D	0.946	0.44
87_V	330_A	0.944	0.44
341_A	344_N	0.935	0.43
117_T	121_K	0.935	0.43
218_D	259_S	0.933	0.43
131_R	134_S	0.932	0.43
180_F	220_C	0.932	0.43
375_G	378_I	0.931	0.43
161_V	171_D	0.930	0.43
185_D	204_Y	0.928	0.43
310_H	313_N	0.923	0.43
180_F	206_N	0.919	0.42
183_A	206_N	0.915	0.42
92_K	96_L	0.903	0.41
140_A	143_M	0.902	0.41
221_T	315_Y	0.900	0.41
208_T	250_S	0.897	0.41
60_N	364_T	0.894	0.41
160_K	179_E	0.888	0.40
59_R	83_I	0.885	0.40
213_T	254_N	0.883	0.40
32_N	37_A	0.882	0.40
23_D	26_H	0.880	0.40
46_S	76_I	0.877	0.39
356_T	360_F	0.874	0.39
390_V	393_T	0.872	0.39
223_N	416_A	0.870	0.39
304_V	334_G	0.865	0.39
18_G	21_A	0.864	0.39
75_K	150_T	0.857	0.38
137_N	140_A	0.855	0.38
113_Y	118_W	0.854	0.38
135_Q	204_Y	0.852	0.38
43_T	174_I	0.848	0.38
370_G	374_N	0.846	0.37
337_S	406_V	0.838	0.37
77_I	143_M	0.837	0.37
379_N	385_G	0.835	0.37
246_Q	305_R	0.834	0.37
281_D	334_G	0.833	0.37
138_Q	204_Y	0.831	0.36
316_Y	344_N	0.829	0.36
268_K	305_R	0.828	0.36
95_G	136_K	0.827	0.36
182_D	223_N	0.827	0.36
156_G	163_G	0.827	0.36
43_T	46_S	0.826	0.36
253_A	258_M	0.825	0.36
315_Y	345_V	0.825	0.36
315_Y	411_I	0.825	0.36
41_G	214_H	0.825	0.36
343_N	403_S	0.822	0.36
215_I	256_I	0.820	0.36
91_L	98_D	0.817	0.36
386_L	392_W	0.816	0.35
276_D	307_G	0.814	0.35
266_H	296_N	0.809	0.35
173_V	256_I	0.806	0.35
380_A	383_A	0.805	0.35
267_D	299_Q	0.805	0.35
60_N	73_T	0.797	0.34
67_G	71_N	0.796	0.34
152_I	412_N	0.794	0.34
348_V	416_A	0.793	0.34
141_R	152_I	0.792	0.34
370_G	375_G	0.792	0.34
315_Y	407_K	0.791	0.34
175_I	251_N	0.790	0.34
151_T	254_N	0.788	0.34
26_H	152_I	0.787	0.34
110_L	117_T	0.787	0.34
155_S	178_I	0.784	0.33
173_V	213_T	0.783	0.33
291_H	312_Y	0.783	0.33
401_D	418_K	0.780	0.33
331_W	371_T	0.771	0.33
71_N	344_N	0.771	0.33
37_A	214_H	0.770	0.33
304_V	315_Y	0.770	0.33
224_D	268_K	0.767	0.32
169_K	211_G	0.766	0.32
167_Q	208_T	0.766	0.32
159_A	221_T	0.764	0.32
149_N	347_D	0.763	0.32
173_V	182_D	0.762	0.32
217_I	413_Q	0.760	0.32
362_G	366_L	0.759	0.32
57_S	61_Q	0.757	0.32
404_A	408_S	0.756	0.32
128_E	134_S	0.756	0.32
396_L	400_I	0.756	0.32
303_R	309_V	0.751	0.31
291_H	401_D	0.749	0.31
106_L	110_L	0.749	0.31
100_K	109_Y	0.748	0.31
304_V	341_A	0.741	0.31
223_N	264_H	0.740	0.31
414_A	418_K	0.739	0.31
34_G	45_G	0.735	0.30
379_N	383_A	0.734	0.30
156_G	161_V	0.734	0.30
262_Y	296_N	0.733	0.30
113_Y	125_G	0.733	0.30
347_D	403_S	0.732	0.30
189_Q	220_C	0.732	0.30
369_S	390_V	0.728	0.30
54_Y	73_T	0.725	0.30
100_K	178_I	0.724	0.30
16_P	316_Y	0.724	0.30
110_L	119_G	0.724	0.30
109_Y	222_F	0.723	0.30
301_A	319_S	0.722	0.30
26_H	29_L	0.718	0.29
148_A	152_I	0.717	0.29
106_L	114_D	0.717	0.29
210_N	250_S	0.716	0.29
356_T	364_T	0.715	0.29
110_L	118_W	0.715	0.29
213_T	256_I	0.714	0.29
79_I	83_I	0.710	0.29
406_V	413_Q	0.710	0.29
25_G	78_Y	0.710	0.29
136_K	139_K	0.708	0.29
60_N	268_K	0.705	0.29
48_A	175_I	0.705	0.29
26_H	153_V	0.702	0.29
263_Y	352_S	0.701	0.29
345_V	379_N	0.700	0.28
82_T	160_K	0.700	0.28
151_T	224_D	0.699	0.28
170_S	356_T	0.698	0.28
182_D	224_D	0.697	0.28
125_G	210_N	0.696	0.28
183_A	272_F	0.695	0.28
48_A	75_K	0.695	0.28
374_N	378_I	0.694	0.28
364_T	371_T	0.694	0.28
59_R	62_L	0.688	0.28
174_I	238_R	0.686	0.28
116_S	119_G	0.685	0.28
42_T	45_G	0.684	0.28
147_P	151_T	0.683	0.27
99_Y	125_G	0.683	0.27
17_A	21_A	0.682	0.27
91_L	95_G	0.682	0.27
374_N	379_N	0.682	0.27
67_G	145_D	0.681	0.27
174_I	340_Y	0.679	0.27
60_N	64_S	0.678	0.27
97_N	105_D	0.674	0.27
191_D	332_G	0.672	0.27
283_G	337_S	0.671	0.27
387_S	392_W	0.669	0.27
319_S	349_P	0.669	0.27
88_D	139_K	0.667	0.27
216_W	257_T	0.664	0.26
119_G	123_P	0.664	0.26
30_G	176_R	0.663	0.26
203_Q	299_Q	0.662	0.26
351_L	407_K	0.661	0.26
351_L	354_A	0.658	0.26
108_K	112_A	0.655	0.26
281_D	304_V	0.652	0.26
249_A	287_I	0.651	0.26
61_Q	277_S	0.649	0.26
189_Q	338_K	0.648	0.26
163_G	275_S	0.646	0.25
154_G	344_N	0.645	0.25
121_K	256_I	0.643	0.25
378_I	381_S	0.643	0.25
124_S	189_Q	0.643	0.25
112_A	117_T	0.642	0.25
67_G	73_T	0.642	0.25
296_N	318_G	0.642	0.25
271_I	305_R	0.642	0.25
58_N	76_I	0.642	0.25
390_V	395_S	0.639	0.25
330_A	349_P	0.639	0.25
99_Y	110_L	0.639	0.25
362_G	402_A	0.639	0.25
391_G	418_K	0.636	0.25
41_G	48_A	0.634	0.25
211_G	280_S	0.634	0.25
250_S	274_S	0.633	0.25
160_K	223_N	0.632	0.25
20_N	23_D	0.631	0.25
33_D	312_Y	0.630	0.25
92_K	135_Q	0.624	0.24
412_N	418_K	0.624	0.24
116_S	126_T	0.623	0.24
166_F	217_I	0.623	0.24
253_A	316_Y	0.623	0.24
139_K	238_R	0.619	0.24
267_D	305_R	0.618	0.24
139_K	203_Q	0.617	0.24
276_D	296_N	0.617	0.24
172_N	218_D	0.615	0.24
94_L	98_D	0.615	0.24
133_R	256_I	0.613	0.24
77_I	345_V	0.612	0.24
366_L	371_T	0.612	0.24
34_G	44_G	0.610	0.24
313_N	342_Q	0.609	0.24
86_N	182_D	0.606	0.23
258_M	289_L	0.605	0.23
82_T	342_Q	0.605	0.23
399_S	405_N	0.605	0.23
375_G	379_N	0.604	0.23
359_V	380_A	0.604	0.23
149_N	173_V	0.602	0.23
391_G	394_P	0.602	0.23
160_K	178_I	0.601	0.23
36_G	169_K	0.601	0.23
185_D	267_D	0.600	0.23
58_N	351_L	0.599	0.23
54_Y	64_S	0.598	0.23
156_G	417_G	0.598	0.23
146_I	289_L	0.596	0.23
119_G	125_G	0.596	0.23
140_A	183_A	0.596	0.23
283_G	306_F	0.595	0.23
279_T	343_N	0.594	0.23
113_Y	117_T	0.594	0.23
262_Y	293_R	0.590	0.23
320_T	375_G	0.590	0.23
349_P	375_G	0.589	0.23
15_T	20_N	0.589	0.23
75_K	344_N	0.588	0.23
114_D	151_T	0.588	0.23
75_K	85_M	0.587	0.22
167_Q	210_N	0.587	0.22
399_S	408_S	0.586	0.22
138_Q	337_S	0.585	0.22
36_G	42_T	0.585	0.22
209_I	339_I	0.584	0.22
268_K	307_G	0.584	0.22
161_V	164_G	0.584	0.22
269_S	334_G	0.582	0.22
151_T	171_D	0.582	0.22
23_D	29_L	0.582	0.22
98_D	112_A	0.582	0.22
182_D	330_A	0.581	0.22
179_E	261_N	0.581	0.22
104_Y	110_L	0.581	0.22
213_T	405_N	0.579	0.22
106_L	158_N	0.578	0.22
368_D	381_S	0.577	0.22
310_H	315_Y	0.577	0.22
299_Q	328_S	0.576	0.22
85_M	163_G	0.576	0.22
150_T	184_Y	0.574	0.22
25_G	63_V	0.574	0.22
116_S	121_K	0.574	0.22
175_I	209_I	0.573	0.22
125_G	128_E	0.573	0.22
59_R	394_P	0.572	0.22
215_I	405_N	0.572	0.22
281_D	286_K	0.571	0.22
78_Y	153_V	0.570	0.22
127_Q	131_R	0.568	0.22
379_N	382_A	0.568	0.22
342_Q	370_G	0.568	0.22
136_K	296_N	0.567	0.22
78_Y	81_G	0.567	0.22
163_G	184_Y	0.565	0.21
152_I	402_A	0.564	0.21
341_A	371_T	0.564	0.21
59_R	150_T	0.561	0.21
31_S	296_N	0.561	0.21
62_L	172_N	0.560	0.21
84_D	161_V	0.560	0.21
139_K	274_S	0.560	0.21
139_K	207_I	0.559	0.21
400_I	403_S	0.559	0.21
77_I	330_A	0.559	0.21
289_L	294_Y	0.558	0.21
100_K	105_D	0.558	0.21
118_W	124_S	0.558	0.21
333_I	363_G	0.556	0.21
135_Q	165_N	0.556	0.21
46_S	75_K	0.555	0.21
29_L	153_V	0.554	0.21
413_Q	417_G	0.552	0.21
254_N	283_G	0.551	0.21
250_S	281_D	0.551	0.21
317_E	399_S	0.550	0.21
99_Y	112_A	0.549	0.21
137_N	182_D	0.548	0.21
18_G	22_A	0.547	0.21
56_V	273_G	0.544	0.20
224_D	332_G	0.544	0.20
393_T	397_H	0.543	0.20
380_A	385_G	0.543	0.20
110_L	125_G	0.543	0.20
248_D	281_D	0.541	0.20
32_N	141_R	0.541	0.20
129_E	132_A	0.537	0.20
66_L	79_I	0.536	0.20
279_T	310_H	0.535	0.20
340_Y	376_T	0.533	0.20
61_Q	373_L	0.531	0.20
32_N	36_G	0.530	0.20
116_S	120_K	0.530	0.20
190_W	248_D	0.530	0.20
71_N	314_N	0.530	0.20
212_G	254_N	0.529	0.20
153_V	218_D	0.529	0.20
174_I	218_D	0.529	0.20
180_F	393_T	0.528	0.20
20_N	52_N	0.527	0.20
77_I	256_I	0.525	0.20
254_N	287_I	0.525	0.20
79_I	161_V	0.524	0.20
28_T	153_V	0.524	0.20
32_N	219_H	0.524	0.20
154_G	205_D	0.523	0.20
82_T	162_V	0.522	0.19
217_I	406_V	0.519	0.19
275_S	306_F	0.519	0.19
312_Y	400_I	0.517	0.19
114_D	126_T	0.515	0.19
249_A	253_A	0.513	0.19
134_S	138_Q	0.512	0.19
276_D	320_T	0.511	0.19
248_D	290_H	0.510	0.19
222_F	316_Y	0.510	0.19
182_D	334_G	0.509	0.19
263_Y	295_K	0.509	0.19
114_D	117_T	0.508	0.19
52_N	72_T	0.506	0.19
287_I	399_S	0.506	0.19
133_R	137_N	0.505	0.19
47_K	72_T	0.505	0.19
262_Y	341_A	0.504	0.19
335_K	412_N	0.504	0.19
94_L	129_E	0.502	0.19
37_A	52_N	0.502	0.19
139_K	150_T	0.501	0.19
85_M	184_Y	0.501	0.19
248_D	273_G	0.500	0.19
72_T	283_G	0.500	0.19
222_F	253_A	0.500	0.19
208_T	225_G	0.500	0.19
67_G	168_I	0.500	0.19

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
1vblA	1	0.9476	100	0.289	Contact Map
2o04A	1	0.9476	100	0.29	Contact Map
4hwvA	2	0.9714	100	0.317	Contact Map
1pe9A	1	0.8381	100	0.379	Contact Map
1pclA	1	0.8214	100	0.396	Contact Map
1idkA	1	0.8119	100	0.466	Contact Map
1qcxA	1	0.8119	100	0.473	Contact Map
3vmvA	1	0.7286	100	0.499	Contact Map
2qy1A	1	0.7381	100	0.505	Contact Map
1airA	1	0.7571	100	0.505	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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