CAH - BACSU - GREMLIN Contacts

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CAH - Cephalosporin-C deacetylase

UniProt:	P94388	Sequences: MQLFDLPLDQLQTYKPEKTAPKDFSEFWKLSLEELAKVQAEPDLQPVDYPADGVKVYRLTYKSFGNARITGWYAVPDKEGPHPAIVKYHGYNASYDGEIHEMVNWALHGYATFGMLVRGQQSSEDTSISPHGHALGWMTKGILDKDTYYYRGVYLDAVRALEVISSFDEVDETRIGVTGGSQGGGLTIAAAALSDIPKAAVADYPYLSNFERAIDVALEQPYLEINSFFRRNGSPETEVQAMKTLSYFDIMNLADRVKVPVLMSIGLIDKVTPPSTVFAAYNHLETKKELKVYRYFGHEYIPAFQTEKLAFFKQHLKG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	318 (247)
Sequences:	13846 (9951)
Seq/√Len:	633.2

ECOLI - FRSA YJFP DLHH YCJY YFHR YGHX PTRB PLDB
BACSU - CAH YTAP YUXL YITV YTMA YQKD
HALSA - Q9HS46 Q9HPY2 Q9HN07 Q9HP29
SULSO - Q97VD6 Q7LX61 Q97YB2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
191_A	200_A	3.673	1.00
118_R	156_D	3.500	1.00
60_T	68_R	3.248	1.00
62_K	68_R	3.122	1.00
64_F	159_R	3.085	1.00
176_G	199_A	3.033	1.00
57_Y	75_V	2.736	1.00
82_H	111_A	2.733	1.00
163_V	167_F	2.653	1.00
110_Y	313_K	2.545	1.00
171_D	174_R	2.497	1.00
187_T	200_A	2.449	1.00
176_G	312_F	2.379	1.00
84_A	170_V	2.370	1.00
59_L	71_G	2.285	1.00
162_E	196_I	2.280	1.00
61_Y	160_A	2.267	1.00
108_H	309_L	2.252	1.00
281_Y	288_K	2.223	1.00
289_E	307_E	2.211	1.00
291_K	307_E	2.198	1.00
202_A	205_P	2.147	1.00
108_H	313_K	2.142	1.00
278_F	292_V	2.027	1.00
163_V	166_S	2.008	1.00
267_L	294_R	1.998	1.00
71_G	113_F	1.909	1.00
274_P	292_V	1.862	1.00
61_Y	71_G	1.821	1.00
73_Y	113_F	1.801	1.00
238_E	241_A	1.792	1.00
75_V	111_A	1.780	1.00
113_F	160_A	1.775	1.00
177_V	190_A	1.772	1.00
161_L	175_I	1.716	1.00
188_I	202_A	1.663	1.00
201_V	312_F	1.657	1.00
267_L	292_V	1.652	1.00
201_V	308_K	1.648	1.00
76_P	82_H	1.647	1.00
73_Y	111_A	1.629	1.00
253_L	256_R	1.592	1.00
90_G	181_S	1.583	1.00
84_A	111_A	1.571	1.00
177_V	187_T	1.570	1.00
289_E	314_Q	1.570	1.00
76_P	111_A	1.570	1.00
104_N	108_H	1.558	1.00
293_Y	303_A	1.555	1.00
180_G	203_D	1.548	1.00
293_Y	307_E	1.528	1.00
78_K	82_H	1.524	1.00
64_F	155_L	1.492	1.00
180_G	204_Y	1.473	1.00
306_T	310_A	1.468	1.00
158_V	194_S	1.464	1.00
113_F	164_I	1.434	1.00
155_L	193_L	1.424	1.00
84_A	164_I	1.412	1.00
239_V	243_K	1.411	1.00
287_K	315_H	1.407	1.00
74_A	114_G	1.383	1.00
71_G	160_A	1.362	1.00
158_V	162_E	1.356	1.00
148_Y	151_R	1.356	1.00
58_R	70_T	1.352	1.00
263_M	281_Y	1.344	1.00
191_A	259_V	1.325	1.00
198_K	205_P	1.321	1.00
150_Y	153_V	1.320	1.00
88_Y	157_A	1.311	1.00
162_E	166_S	1.295	1.00
78_K	81_P	1.289	1.00
246_S	249_D	1.276	1.00
281_Y	290_L	1.270	1.00
268_I	295_Y	1.266	1.00
174_R	198_K	1.258	1.00
303_A	307_E	1.254	1.00
274_P	278_F	1.251	1.00
59_L	163_V	1.249	1.00
55_K	75_V	1.246	1.00
165_S	196_I	1.210	1.00
57_Y	167_F	1.209	1.00
89_H	117_V	1.201	1.00
81_P	171_D	1.198	1.00
56_V	74_A	1.189	1.00
263_M	280_A	1.183	1.00
65_G	118_R	1.145	1.00
201_V	262_L	1.143	1.00
60_T	70_T	1.142	1.00
157_A	190_A	1.136	1.00
86_V	161_L	1.133	1.00
261_V	284_L	1.132	1.00
240_Q	243_K	1.129	1.00
162_E	194_S	1.123	1.00
200_A	261_V	1.121	1.00
98_E	101_E	1.106	1.00
173_T	198_K	1.106	1.00
177_V	200_A	1.104	1.00
84_A	175_I	1.098	1.00
293_Y	296_F	1.091	1.00
165_S	170_V	1.088	1.00
159_R	162_E	1.086	1.00
267_L	295_Y	1.085	1.00
265_I	274_P	1.082	1.00
309_L	313_K	1.077	1.00
307_E	310_A	1.077	1.00
205_P	208_S	1.072	1.00
195_D	258_K	1.066	1.00
158_V	193_L	1.064	1.00
267_L	274_P	1.062	1.00
102_M	114_G	1.060	1.00
84_A	113_F	1.057	1.00
111_A	170_V	1.053	1.00
85_I	110_Y	1.048	1.00
61_Y	115_M	1.047	1.00
151_R	155_L	1.038	1.00
85_I	105_W	1.036	1.00
242_M	246_S	1.030	1.00
242_M	245_L	1.030	1.00
125_D	129_S	1.029	1.00
155_L	159_R	1.025	1.00
241_A	244_T	1.021	1.00
74_A	106_A	1.017	1.00
278_F	282_N	1.016	1.00
263_M	277_V	1.015	1.00
115_M	160_A	1.013	1.00
87_K	102_M	1.012	1.00
192_A	257_V	1.012	1.00
189_A	193_L	1.011	1.00
265_I	277_V	1.010	1.00
239_V	242_M	1.008	1.00
188_I	205_P	1.006	1.00
87_K	178_T	1.005	1.00
111_A	169_E	1.003	1.00
264_S	304_F	0.996	1.00
83_P	174_R	0.989	1.00
103_V	107_L	0.986	1.00
102_M	106_A	0.978	1.00
204_Y	300_Y	0.976	1.00
244_T	247_Y	0.969	1.00
262_L	291_K	0.962	1.00
200_A	259_V	0.961	1.00
246_S	252_N	0.951	1.00
202_A	263_M	0.949	1.00
42_P	45_Q	0.947	1.00
154_Y	189_A	0.945	1.00
151_R	193_L	0.944	1.00
199_A	311_F	0.943	1.00
243_K	247_Y	0.937	1.00
104_N	309_L	0.937	1.00
278_F	290_L	0.934	1.00
209_N	212_R	0.927	1.00
148_Y	152_G	0.924	1.00
63_S	159_R	0.923	1.00
55_K	77_D	0.915	1.00
86_V	157_A	0.913	1.00
152_G	155_L	0.901	1.00
304_F	308_K	0.899	1.00
285_E	288_K	0.891	1.00
236_E	239_V	0.888	1.00
50_P	53_G	0.881	1.00
75_V	169_E	0.878	1.00
181_S	298_H	0.875	1.00
199_A	312_F	0.867	1.00
70_T	123_S	0.865	1.00
153_V	182_Q	0.859	1.00
88_Y	177_V	0.859	1.00
277_V	290_L	0.858	1.00
117_V	153_V	0.857	1.00
165_S	172_E	0.853	1.00
192_A	280_A	0.851	1.00
42_P	46_P	0.848	1.00
63_S	67_A	0.845	1.00
302_P	306_T	0.841	1.00
81_P	169_E	0.834	1.00
178_T	201_V	0.833	1.00
192_A	253_L	0.832	1.00
205_P	272_T	0.831	1.00
83_P	171_D	0.829	1.00
199_A	260_P	0.829	1.00
199_A	315_H	0.823	1.00
85_I	178_T	0.820	1.00
89_H	120_Q	0.816	1.00
198_K	260_P	0.814	1.00
201_V	264_S	0.800	1.00
165_S	168_D	0.800	1.00
96_D	99_I	0.799	1.00
255_D	283_H	0.789	1.00
71_G	115_M	0.784	1.00
213_A	217_A	0.783	1.00
79_E	82_H	0.782	1.00
74_A	102_M	0.781	1.00
251_M	254_A	0.780	1.00
264_S	293_Y	0.779	1.00
102_M	112_T	0.778	1.00
110_Y	312_F	0.775	1.00
106_A	112_T	0.775	1.00
283_H	286_T	0.771	1.00
265_I	292_V	0.768	1.00
264_S	291_K	0.765	1.00
161_L	197_P	0.762	1.00
184_G	205_P	0.762	1.00
193_L	253_L	0.758	1.00
61_Y	159_R	0.757	1.00
188_I	208_S	0.756	1.00
212_R	215_D	0.755	1.00
178_T	203_D	0.755	1.00
281_Y	285_E	0.752	1.00
191_A	261_V	0.750	1.00
54_V	103_V	0.749	1.00
280_A	284_L	0.748	1.00
162_E	165_S	0.747	1.00
43_D	46_P	0.747	1.00
88_Y	187_T	0.746	1.00
96_D	101_E	0.745	1.00
116_L	121_Q	0.740	1.00
61_Y	69_I	0.737	1.00
228_F	231_R	0.735	1.00
236_E	241_A	0.734	1.00
311_F	315_H	0.734	1.00
257_V	284_L	0.734	1.00
85_I	312_F	0.729	1.00
157_A	186_L	0.728	1.00
203_D	264_S	0.718	1.00
153_V	186_L	0.715	1.00
170_V	175_I	0.714	1.00
187_T	191_A	0.713	1.00
70_T	116_L	0.713	1.00
229_F	232_N	0.711	1.00
95_Y	122_S	0.705	1.00
269_D	298_H	0.704	1.00
97_G	100_H	0.700	1.00
68_R	124_E	0.699	1.00
91_Y	182_Q	0.698	1.00
67_A	118_R	0.698	1.00
254_A	257_V	0.697	1.00
74_A	112_T	0.697	1.00
212_R	276_T	0.697	1.00
171_D	198_K	0.697	1.00
63_S	69_I	0.696	1.00
158_V	190_A	0.695	1.00
149_Y	210_F	0.693	1.00
116_L	123_S	0.690	1.00
243_K	246_S	0.689	1.00
63_S	118_R	0.684	1.00
160_A	163_V	0.683	1.00
238_E	242_M	0.681	1.00
87_K	114_G	0.679	1.00
279_A	282_N	0.679	1.00
310_A	314_Q	0.678	1.00
61_Y	163_V	0.678	1.00
86_V	113_F	0.676	1.00
257_V	280_A	0.674	1.00
158_V	161_L	0.674	1.00
69_I	115_M	0.674	1.00
205_P	265_I	0.674	1.00
282_N	286_T	0.673	1.00
254_A	280_A	0.672	1.00
214_I	217_A	0.668	1.00
277_V	281_Y	0.667	1.00
53_G	77_D	0.667	1.00
187_T	202_A	0.666	1.00
65_G	155_L	0.665	1.00
88_Y	115_M	0.665	1.00
165_S	175_I	0.663	1.00
188_I	261_V	0.660	1.00
189_A	192_A	0.657	1.00
104_N	107_L	0.650	1.00
85_I	112_T	0.645	1.00
73_Y	169_E	0.645	1.00
289_E	292_V	0.645	1.00
56_V	72_W	0.643	1.00
110_Y	176_G	0.642	1.00
75_V	78_K	0.642	1.00
85_I	176_G	0.641	1.00
288_K	291_K	0.636	1.00
88_Y	186_L	0.635	1.00
96_D	100_H	0.634	1.00
178_T	308_K	0.633	1.00
198_K	201_V	0.632	1.00
154_Y	158_V	0.632	1.00
105_W	178_T	0.631	1.00
58_R	72_W	0.630	1.00
201_V	205_P	0.628	1.00
188_I	280_A	0.625	1.00
59_L	167_F	0.624	1.00
279_A	283_H	0.619	1.00
154_Y	190_A	0.616	1.00
86_V	115_M	0.615	1.00
151_R	247_Y	0.615	1.00
199_A	202_A	0.613	1.00
97_G	101_E	0.611	1.00
310_A	313_K	0.611	1.00
203_D	304_F	0.610	1.00
178_T	312_F	0.606	1.00
106_A	111_A	0.606	1.00
105_W	308_K	0.605	1.00
185_G	189_A	0.599	1.00
194_S	197_P	0.599	1.00
296_F	300_Y	0.597	1.00
218_L	271_V	0.596	1.00
227_S	232_N	0.595	1.00
182_Q	185_G	0.593	1.00
303_A	306_T	0.591	1.00
87_K	112_T	0.591	1.00
154_Y	186_L	0.591	1.00
184_G	202_A	0.589	1.00
88_Y	117_V	0.587	1.00
262_L	311_F	0.586	1.00
158_V	197_P	0.586	1.00
63_S	155_L	0.584	1.00
176_G	198_K	0.583	1.00
189_A	253_L	0.583	1.00
249_D	252_N	0.582	1.00
57_Y	169_E	0.581	1.00
124_E	127_S	0.580	1.00
202_A	280_A	0.578	1.00
180_G	299_E	0.576	1.00
254_A	283_H	0.576	1.00
263_M	284_L	0.575	1.00
213_A	219_E	0.573	1.00
265_I	290_L	0.573	1.00
105_W	309_L	0.572	1.00
226_N	229_F	0.571	1.00
54_V	106_A	0.571	1.00
104_N	305_Q	0.570	1.00
71_G	163_V	0.570	1.00
75_V	82_H	0.566	1.00
260_P	287_K	0.566	1.00
199_A	205_P	0.564	1.00
265_I	272_T	0.558	1.00
262_L	307_E	0.556	1.00
182_Q	186_L	0.555	1.00
204_Y	266_G	0.555	1.00
117_V	120_Q	0.554	1.00
204_Y	265_I	0.553	1.00
211_E	246_S	0.551	1.00
291_K	294_R	0.551	1.00
179_G	184_G	0.547	1.00
211_E	242_M	0.546	1.00
204_Y	299_E	0.546	1.00
203_D	308_K	0.543	1.00
208_S	280_A	0.540	0.99
191_A	257_V	0.539	0.99
59_L	113_F	0.538	0.99
62_K	163_V	0.537	0.99
67_A	124_E	0.537	0.99
44_L	47_V	0.534	0.99
241_A	245_L	0.530	0.99
270_K	297_G	0.530	0.99
275_S	279_A	0.530	0.99
289_E	294_R	0.527	0.99
288_K	292_V	0.524	0.99
269_D	272_T	0.523	0.99
228_F	232_N	0.522	0.99
220_Q	227_S	0.514	0.99
105_W	110_Y	0.514	0.99
59_L	73_Y	0.513	0.99
57_Y	78_K	0.513	0.99
238_E	243_K	0.513	0.99
209_N	279_A	0.513	0.99
287_K	294_R	0.509	0.99
240_Q	244_T	0.509	0.99
82_H	169_E	0.508	0.99
184_G	272_T	0.508	0.99
211_E	215_D	0.503	0.99
62_K	66_N	0.503	0.99
274_P	290_L	0.503	0.99
200_A	205_P	0.500	0.99

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
1l7aA	5	1	100	0.283	Contact Map
1vlqA	5	0.9843	100	0.291	Contact Map
3fcyA	5	0.9843	100	0.339	Contact Map
3iiiA	1	0.8648	100	0.411	Contact Map
3azoA	1	0.934	100	0.412	Contact Map
2b9vA	5	0.8428	100	0.414	Contact Map
4q1vA	2	0.8994	100	0.419	Contact Map
4hxfB	4	0.9151	100	0.42	Contact Map
2z3zA	2	0.8711	100	0.42	Contact Map
1mpxA	4	0.8553	100	0.421	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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