PKSS - BACSU - GREMLIN Contacts

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PKSS - Polyketide biosynthesis cytochrome P450 PksS

UniProt:	O31785	Sequences: MEKLMFHPHGKEFHHNPFSVLGRFREEEPIHRFELKRFGATYPAWLITRYDDCMAFLKDNRITRDVKNVMNQEQIKMLNVSEDIDFVSDHMLAKDTPDHTRLRSLVHQAFTPRTIENLRGSIEQIAEQLLDEMEKENKADIMKSFASPLPFIVISELMGIPKEDRSQFQIWTNAMVDTSEGNRELTNQALREFKDYIAKLIHDRRIKPKDDLISKLVHAEENGSKLSEKELYSMLFLLVVAGLETTVNLLGSGTLALLQHKKECEKLKQQPEMIATAVEELLRYTSPVVMMANRWAIEDFTYKGHSIKRGDMIFIGIGSANRDPNFFENPEILNINRSPNRHISFGFGIHFCLGAPLARLEGHIAFKALLKRFPDIELAVAPDDIQWRKNVFLRGLESLPVSLSK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	405 (359)
Sequences:	43612 (32020)
Seq/√Len:	1690.0

BACSU - PKSS CPXY BIOI CYPX YJIB CYPC CYPD CYPE
HALSA - Q9HS37

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
329_N	332_I	3.769	1.00
329_N	334_N	3.316	1.00
266_K	336_N	3.202	1.00
301_T	306_S	3.108	1.00
253_G	281_L	3.077	1.00
127_E	368_A	3.072	1.00
253_G	366_F	2.981	1.00
308_K	311_D	2.904	1.00
249_L	362_G	2.823	1.00
275_A	363_H	2.703	1.00
205_R	228_E	2.647	1.00
49_R	52_D	2.617	1.00
256_A	285_T	2.594	1.00
299_D	309_R	2.589	1.00
299_D	306_S	2.529	1.00
264_C	268_K	2.474	1.00
265_E	269_Q	2.463	1.00
263_E	273_M	2.387	1.00
32_R	43_P	2.362	1.00
322_R	331_E	2.349	1.00
267_L	277_A	2.289	1.00
296_A	307_I	2.242	1.00
134_E	373_F	2.229	1.00
204_R	211_D	2.201	1.00
45_W	311_D	2.133	1.00
121_S	156_E	2.112	1.00
266_K	273_M	2.105	1.00
123_E	368_A	2.100	1.00
260_H	263_E	2.089	1.00
198_A	232_Y	2.083	1.00
52_D	303_K	2.078	1.00
202_H	228_E	2.041	1.00
134_E	372_R	2.024	1.00
256_A	284_Y	2.013	1.00
149_L	365_A	2.006	1.00
351_F	355_A	1.992	1.00
198_A	228_E	1.968	1.00
301_T	304_G	1.930	1.00
268_K	374_P	1.906	1.00
255_L	259_Q	1.872	1.00
278_V	362_G	1.851	1.00
198_A	202_H	1.851	1.00
30_I	47_I	1.821	1.00
53_C	320_A	1.821	1.00
279_E	359_R	1.789	1.00
34_E	43_P	1.770	1.00
263_E	266_K	1.761	1.00
264_C	374_P	1.752	1.00
63_T	298_E	1.724	1.00
20_V	23_R	1.720	1.00
188_Q	192_E	1.712	1.00
250_L	365_A	1.703	1.00
369_L	376_I	1.692	1.00
54_M	58_K	1.690	1.00
47_I	56_F	1.688	1.00
265_E	374_P	1.682	1.00
281_L	333_L	1.678	1.00
29_P	49_R	1.665	1.00
102_L	234_M	1.645	1.00
125_I	156_E	1.630	1.00
125_I	128_Q	1.630	1.00
170_I	174_A	1.628	1.00
299_D	308_K	1.603	1.00
36_K	41_T	1.596	1.00
265_E	268_K	1.589	1.00
264_C	370_L	1.576	1.00
199_K	203_D	1.572	1.00
64_R	300_F	1.546	1.00
167_Q	171_W	1.533	1.00
282_L	344_S	1.532	1.00
138_K	379_A	1.528	1.00
256_A	260_H	1.527	1.00
253_G	277_A	1.524	1.00
121_S	124_Q	1.521	1.00
227_S	230_E	1.517	1.00
142_M	251_G	1.500	1.00
253_G	257_L	1.492	1.00
61_R	298_E	1.490	1.00
318_G	322_R	1.487	1.00
202_H	206_I	1.486	1.00
124_Q	156_E	1.485	1.00
368_A	371_K	1.453	1.00
123_E	127_E	1.428	1.00
276_T	336_N	1.423	1.00
51_D	303_K	1.418	1.00
47_I	52_D	1.408	1.00
214_S	218_H	1.405	1.00
267_L	370_L	1.400	1.00
114_T	117_N	1.396	1.00
284_Y	322_R	1.360	1.00
53_C	315_I	1.359	1.00
211_D	214_S	1.359	1.00
171_W	192_E	1.343	1.00
273_M	336_N	1.326	1.00
202_H	205_R	1.323	1.00
254_T	369_L	1.318	1.00
62_I	298_E	1.314	1.00
119_R	363_H	1.314	1.00
20_V	24_F	1.314	1.00
59_D	62_I	1.309	1.00
324_P	331_E	1.304	1.00
131_D	372_R	1.302	1.00
267_L	274_I	1.301	1.00
55_A	59_D	1.299	1.00
125_I	152_I	1.298	1.00
275_A	279_E	1.274	1.00
29_P	325_N	1.272	1.00
249_L	287_P	1.270	1.00
321_N	344_S	1.266	1.00
23_R	27_E	1.264	1.00
268_K	370_L	1.255	1.00
324_P	330_P	1.243	1.00
326_F	341_R	1.233	1.00
274_I	370_L	1.233	1.00
200_L	203_D	1.231	1.00
195_D	199_K	1.229	1.00
263_E	277_A	1.229	1.00
96_T	100_T	1.220	1.00
97_P	101_R	1.216	1.00
97_P	100_T	1.214	1.00
22_G	331_E	1.210	1.00
167_Q	170_I	1.206	1.00
31_H	46_L	1.205	1.00
63_T	300_F	1.200	1.00
191_R	195_D	1.199	1.00
298_E	309_R	1.196	1.00
258_L	264_C	1.192	1.00
328_E	334_N	1.180	1.00
49_R	325_N	1.180	1.00
127_E	131_D	1.177	1.00
266_K	269_Q	1.171	1.00
274_I	367_K	1.168	1.00
154_I	242_G	1.166	1.00
123_E	364_I	1.162	1.00
167_Q	192_E	1.158	1.00
295_W	310_G	1.156	1.00
270_Q	273_M	1.155	1.00
277_A	281_L	1.154	1.00
94_K	98_D	1.153	1.00
355_A	359_R	1.152	1.00
279_E	342_H	1.148	1.00
263_E	335_I	1.146	1.00
44_A	314_F	1.145	1.00
277_A	333_L	1.140	1.00
116_E	119_R	1.138	1.00
174_A	185_L	1.130	1.00
258_L	378_L	1.129	1.00
184_E	188_Q	1.127	1.00
194_K	198_A	1.126	1.00
130_L	368_A	1.124	1.00
126_A	149_L	1.116	1.00
119_R	364_I	1.116	1.00
271_P	371_K	1.102	1.00
48_T	316_G	1.098	1.00
122_I	153_V	1.097	1.00
263_E	336_N	1.096	1.00
126_A	368_A	1.093	1.00
266_K	270_Q	1.089	1.00
89_D	98_D	1.087	1.00
185_L	189_A	1.085	1.00
194_K	232_Y	1.084	1.00
122_I	360_L	1.081	1.00
156_E	161_P	1.080	1.00
23_R	26_E	1.077	1.00
256_A	281_L	1.066	1.00
119_R	123_E	1.058	1.00
126_A	130_L	1.058	1.00
124_Q	128_Q	1.055	1.00
130_L	373_F	1.055	1.00
229_K	233_S	1.052	1.00
126_A	364_I	1.052	1.00
45_W	307_I	1.051	1.00
128_Q	152_I	1.050	1.00
228_E	232_Y	1.045	1.00
192_E	195_D	1.044	1.00
296_A	311_D	1.041	1.00
28_E	31_H	1.035	1.00
52_D	55_A	1.034	1.00
131_D	134_E	1.034	1.00
321_N	342_H	1.033	1.00
123_E	367_K	1.033	1.00
101_R	230_E	1.030	1.00
166_S	170_I	1.028	1.00
215_K	218_H	1.028	1.00
129_L	149_L	1.020	1.00
128_Q	132_E	1.018	1.00
151_F	243_L	1.016	1.00
260_H	332_I	1.014	1.00
273_M	276_T	1.010	1.00
121_S	125_I	1.010	1.00
190_L	194_K	1.010	1.00
181_G	185_L	1.007	1.00
271_P	367_K	1.004	1.00
50_Y	326_F	1.000	1.00
257_L	267_L	1.000	1.00
112_P	116_E	0.999	1.00
203_D	206_I	0.994	1.00
170_I	173_N	0.991	1.00
200_L	204_R	0.988	1.00
267_L	273_M	0.988	1.00
100_T	104_S	0.984	1.00
174_A	189_A	0.983	1.00
128_Q	131_D	0.980	1.00
204_R	214_S	0.974	1.00
98_D	101_R	0.972	1.00
252_S	285_T	0.967	1.00
256_A	259_Q	0.966	1.00
261_K	265_E	0.966	1.00
55_A	303_K	0.965	1.00
258_L	376_I	0.964	1.00
295_W	312_M	0.962	1.00
111_T	114_T	0.959	1.00
51_D	55_A	0.957	1.00
374_P	377_E	0.957	1.00
257_L	264_C	0.949	1.00
272_E	276_T	0.946	1.00
257_L	263_E	0.945	1.00
324_P	328_E	0.940	1.00
130_L	372_R	0.935	1.00
338_S	341_R	0.933	1.00
113_R	117_N	0.930	1.00
208_P	218_H	0.929	1.00
60_N	63_T	0.927	1.00
296_A	299_D	0.925	1.00
368_A	372_R	0.924	1.00
115_I	360_L	0.923	1.00
367_K	371_K	0.922	1.00
60_N	64_R	0.921	1.00
47_I	53_C	0.918	1.00
300_F	306_S	0.916	1.00
169_Q	173_N	0.914	1.00
280_E	283_R	0.908	1.00
30_I	52_D	0.905	1.00
56_F	315_I	0.903	1.00
213_I	235_L	0.903	1.00
192_E	196_Y	0.900	1.00
275_A	359_R	0.897	1.00
132_E	148_P	0.896	1.00
132_E	144_S	0.896	1.00
22_G	25_R	0.895	1.00
226_L	230_E	0.895	1.00
358_A	362_G	0.895	1.00
51_D	325_N	0.893	1.00
262_K	266_K	0.889	1.00
98_D	230_E	0.885	1.00
250_L	362_G	0.879	1.00
273_M	335_I	0.876	1.00
220_E	225_K	0.875	1.00
60_N	300_F	0.875	1.00
183_R	187_N	0.868	1.00
181_G	184_E	0.865	1.00
19_S	22_G	0.860	1.00
119_R	360_L	0.860	1.00
127_E	372_R	0.857	1.00
277_A	335_I	0.851	1.00
249_L	281_L	0.848	1.00
22_G	319_S	0.844	1.00
292_A	317_I	0.842	1.00
187_N	191_R	0.837	1.00
30_I	305_H	0.837	1.00
106_V	353_L	0.836	1.00
98_D	102_L	0.833	1.00
359_R	363_H	0.832	1.00
174_A	177_D	0.828	1.00
90_H	237_L	0.828	1.00
42_Y	312_M	0.826	1.00
174_A	178_T	0.826	1.00
173_N	177_D	0.824	1.00
244_E	248_N	0.823	1.00
50_Y	54_M	0.822	1.00
43_P	311_D	0.821	1.00
189_A	192_E	0.820	1.00
191_R	194_K	0.817	1.00
160_I	203_D	0.817	1.00
51_D	54_M	0.814	1.00
55_A	300_F	0.813	1.00
32_R	45_W	0.813	1.00
199_K	202_H	0.813	1.00
120_G	124_Q	0.809	1.00
141_I	254_T	0.808	1.00
136_E	144_S	0.808	1.00
203_D	207_K	0.807	1.00
380_V	383_D	0.806	1.00
49_R	303_K	0.806	1.00
259_Q	378_L	0.806	1.00
25_R	48_T	0.804	1.00
296_A	308_K	0.804	1.00
261_K	264_C	0.802	1.00
131_D	135_K	0.801	1.00
254_T	370_L	0.799	1.00
24_F	31_H	0.796	1.00
274_I	363_H	0.796	1.00
53_C	343_I	0.795	1.00
125_I	161_P	0.794	1.00
195_D	198_A	0.792	1.00
145_F	365_A	0.790	1.00
166_S	169_Q	0.787	1.00
110_F	353_L	0.783	1.00
44_A	312_M	0.783	1.00
46_L	316_G	0.782	1.00
132_E	135_K	0.781	1.00
28_E	305_H	0.779	1.00
149_L	153_V	0.779	1.00
65_D	68_N	0.777	1.00
307_I	313_I	0.776	1.00
363_H	367_K	0.775	1.00
194_K	236_F	0.774	1.00
124_Q	161_P	0.772	1.00
255_L	378_L	0.768	1.00
171_W	174_A	0.768	1.00
153_V	361_E	0.767	1.00
182_N	186_T	0.767	1.00
155_S	162_K	0.766	1.00
29_P	323_D	0.766	1.00
58_K	347_F	0.761	1.00
66_V	297_I	0.761	1.00
109_A	215_K	0.759	1.00
201_I	205_R	0.758	1.00
56_F	302_Y	0.757	1.00
185_L	188_Q	0.757	1.00
63_T	66_V	0.755	1.00
145_F	254_T	0.755	1.00
63_T	297_I	0.755	1.00
306_S	309_R	0.750	1.00
262_K	265_E	0.749	1.00
249_L	282_L	0.745	1.00
122_I	357_L	0.745	1.00
128_Q	161_P	0.741	1.00
263_E	334_N	0.740	1.00
57_L	315_I	0.740	1.00
106_V	238_L	0.739	1.00
183_R	186_T	0.738	1.00
197_I	235_L	0.737	1.00
246_T	361_E	0.735	1.00
194_K	229_K	0.734	1.00
148_P	152_I	0.732	1.00
174_A	192_E	0.722	1.00
29_P	303_K	0.719	1.00
176_V	179_S	0.718	1.00
257_L	277_A	0.713	1.00
317_I	343_I	0.708	1.00
331_E	334_N	0.707	1.00
210_D	214_S	0.707	1.00
144_S	148_P	0.704	1.00
33_F	46_L	0.703	1.00
253_G	333_L	0.703	1.00
165_R	169_Q	0.702	1.00
364_I	368_A	0.702	1.00
303_K	306_S	0.702	1.00
261_K	374_P	0.697	1.00
196_Y	200_L	0.696	1.00
150_P	246_T	0.696	1.00
112_P	356_P	0.696	1.00
99_H	103_R	0.694	1.00
65_D	297_I	0.694	1.00
302_Y	307_I	0.693	1.00
198_A	229_K	0.693	1.00
54_M	340_N	0.692	1.00
172_T	176_V	0.688	1.00
253_G	278_V	0.688	1.00
329_N	337_R	0.687	1.00
103_R	107_H	0.686	1.00
296_A	310_G	0.685	1.00
286_S	321_N	0.683	1.00
35_L	44_A	0.682	1.00
168_F	171_W	0.680	1.00
101_R	224_S	0.678	1.00
323_D	326_F	0.678	1.00
126_A	365_A	0.675	1.00
276_T	335_I	0.673	1.00
64_R	67_K	0.672	1.00
316_G	319_S	0.670	1.00
383_D	387_W	0.668	1.00
273_M	277_A	0.668	1.00
113_R	116_E	0.667	1.00
94_K	102_L	0.666	1.00
274_I	366_F	0.665	1.00
117_N	210_D	0.664	1.00
120_G	123_E	0.664	1.00
357_L	361_E	0.663	1.00
106_V	234_M	0.662	1.00
241_A	245_T	0.661	1.00
282_L	342_H	0.659	1.00
205_R	220_E	0.657	1.00
55_A	60_N	0.657	1.00
133_M	139_A	0.655	1.00
284_Y	331_E	0.655	1.00
261_K	377_E	0.653	1.00
257_L	370_L	0.651	1.00
152_I	165_R	0.650	1.00
90_H	94_K	0.649	1.00
296_A	300_F	0.648	1.00
196_Y	199_K	0.646	1.00
187_N	190_L	0.645	1.00
347_F	351_F	0.644	1.00
126_A	129_L	0.641	1.00
254_T	376_I	0.640	1.00
159_G	211_D	0.637	1.00
55_A	302_Y	0.635	1.00
33_F	44_A	0.633	1.00
209_K	214_S	0.633	1.00
66_V	94_K	0.631	1.00
57_L	317_I	0.628	1.00
334_N	337_R	0.627	1.00
278_V	359_R	0.626	1.00
254_T	366_F	0.625	1.00
380_V	384_D	0.624	1.00
278_V	363_H	0.623	1.00
170_I	192_E	0.622	1.00
345_F	359_R	0.622	1.00
91_M	237_L	0.622	1.00
32_R	311_D	0.619	1.00
296_A	313_I	0.614	1.00
82_E	85_D	0.612	1.00
221_E	224_S	0.608	1.00
154_I	157_L	0.608	1.00
25_R	46_L	0.608	1.00
25_R	319_S	0.608	1.00
175_M	178_T	0.608	1.00
242_G	245_T	0.608	1.00
293_N	314_F	0.606	1.00
164_D	167_Q	0.603	1.00
115_I	357_L	0.602	1.00
208_P	214_S	0.601	1.00
168_F	172_T	0.600	1.00
84_I	89_D	0.600	1.00
189_A	193_F	0.598	1.00
184_E	187_N	0.598	1.00
81_S	84_I	0.597	1.00
296_A	309_R	0.597	1.00
169_Q	172_T	0.596	1.00
50_Y	323_D	0.595	1.00
53_C	57_L	0.593	1.00
129_L	133_M	0.593	1.00
186_T	190_L	0.592	1.00
160_I	200_L	0.591	1.00
186_T	189_A	0.590	1.00
210_D	215_K	0.590	1.00
173_N	176_V	0.589	1.00
150_P	247_V	0.589	1.00
96_T	349_I	0.588	1.00
65_D	69_V	0.586	1.00
150_P	361_E	0.585	1.00
274_I	277_A	0.583	1.00
114_T	118_L	0.581	1.00
274_I	278_V	0.579	1.00
29_P	32_R	0.578	1.00
272_E	275_A	0.577	1.00
220_E	223_G	0.577	1.00
48_T	323_D	0.574	1.00
211_D	215_K	0.573	1.00
256_A	333_L	0.573	1.00
132_E	152_I	0.573	1.00
249_L	278_V	0.573	1.00
102_L	230_E	0.572	1.00
276_T	334_N	0.569	1.00
197_I	200_L	0.569	1.00
222_N	225_K	0.569	1.00
21_L	25_R	0.568	1.00
122_I	361_E	0.568	1.00
54_M	347_F	0.568	1.00
193_F	197_I	0.567	1.00
61_R	64_R	0.567	1.00
18_F	318_G	0.566	1.00
22_G	26_E	0.566	1.00
110_F	238_L	0.566	1.00
25_R	29_P	0.564	1.00
34_E	41_T	0.563	1.00
259_Q	384_D	0.562	1.00
177_D	180_E	0.561	1.00
26_E	325_N	0.561	1.00
176_V	180_E	0.559	1.00
31_H	48_T	0.559	1.00
340_N	347_F	0.558	1.00
297_I	309_R	0.556	1.00
80_V	84_I	0.556	1.00
210_D	218_H	0.556	1.00
151_F	239_V	0.556	1.00
65_D	95_D	0.554	1.00
328_E	332_I	0.554	1.00
220_E	228_E	0.553	1.00
252_S	387_W	0.552	1.00
364_I	367_K	0.551	1.00
257_L	260_H	0.551	1.00
56_F	62_I	0.551	1.00
381_A	384_D	0.550	1.00
322_R	330_P	0.549	1.00
383_D	386_Q	0.549	1.00
262_K	332_I	0.549	1.00
147_S	247_V	0.549	1.00
234_M	237_L	0.547	1.00
29_P	48_T	0.545	1.00
297_I	300_F	0.545	1.00
122_I	364_I	0.543	1.00
25_R	31_H	0.543	1.00
89_D	229_K	0.542	1.00
167_Q	199_K	0.541	1.00
384_D	387_W	0.540	1.00
51_D	326_F	0.540	1.00
114_T	215_K	0.538	1.00
45_W	305_H	0.536	1.00
321_N	343_I	0.536	1.00
118_L	122_I	0.536	1.00
52_D	302_Y	0.535	1.00
282_L	287_P	0.535	1.00
46_L	314_F	0.534	1.00
387_W	394_R	0.531	1.00
19_S	23_R	0.530	1.00
293_N	312_M	0.527	1.00
91_M	234_M	0.524	1.00
55_A	301_T	0.523	1.00
201_I	217_V	0.523	1.00
370_L	376_I	0.522	1.00
266_K	335_I	0.522	1.00
147_S	173_N	0.521	1.00
253_G	362_G	0.520	1.00
390_N	394_R	0.519	1.00
105_L	219_A	0.519	1.00
194_K	233_S	0.516	1.00
139_A	144_S	0.516	1.00
188_Q	191_R	0.515	1.00
317_I	321_N	0.515	1.00
216_L	231_L	0.514	1.00
124_Q	127_E	0.514	1.00
307_I	311_D	0.513	1.00
148_P	169_Q	0.513	1.00
116_E	360_L	0.513	1.00
129_L	365_A	0.512	1.00
278_V	366_F	0.512	1.00
230_E	234_M	0.511	1.00
171_W	175_M	0.510	1.00
346_G	351_F	0.509	1.00
193_F	204_R	0.508	1.00
129_L	132_E	0.508	1.00
246_T	358_A	0.501	1.00
66_V	295_W	0.501	1.00
327_F	340_N	0.500	1.00
57_L	347_F	0.500	1.00

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
2uuqA	2	0.9556	100	0.196	Contact Map
3ejbB	1	0.9432	100	0.199	Contact Map
3zpiA	1	0.958	100	0.199	Contact Map
1z8oA	1	0.9654	100	0.2	Contact Map
3a4gA	1	0.9531	100	0.2	Contact Map
2z3tA	1	0.9309	100	0.201	Contact Map
3nc3A	1	0.9037	100	0.205	Contact Map
4tpnA	1	0.9259	100	0.207	Contact Map
2xkrA	1	0.9407	100	0.207	Contact Map
4mm0A	1	0.9556	100	0.209	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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