NAP - BACSU - GREMLIN Contacts

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NAP - Uncharacterized carboxylesterase nap

UniProt:	P96688	Sequences: MSNHSSSIPELSDNGIRYYQTYNESLSLWPVRCKSFYISTRFGQTHVIASGPEDAPPLVLLHGALFSSTMWYPNIADWSSKYRTYAVDIIGDKNKSIPENVSGTRTDYANWLLDVFDNLGIEKSHMIGLSLGGLHTMNFLLRMPERVKSAAILSPAETFLPFHHDFYKYALGLTASNGVETFLNWMMNDQNVLHPIFVKQFKAGVMWQDGSRNPNPNADGFPYVFTDEELRSARVPILLLLGEHEVIYDPHSALHRASSFVPDIEAEVIKNAGHVLSMEQPTYVNERVMRFFNAETGISR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	300 (252)
Sequences:	60692 (49632)
Seq/√Len:	3126.5

ECOLI - RUTD MHPC PLDB YBFF BIOH MENH YCJY YFHR
BACSU - NAP YBFK YUGF YFHM YDJP YCGS YISY RSBQ YRAK YVAM MENH YBDG YBAC YQJL YCLE PLBAC EST YQKD
HALSA - Q9HPT9 Q9HHP4 Q9HRJ0
SULSO - PIP Q7LXY9 Q97WG0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
49_A	83_R	4.880	1.00
125_H	149_S	4.266	1.00
90_I	111_W	3.598	1.00
74_N	285_N	2.999	1.00
243_E	270_K	2.821	1.00
113_L	139_F	2.820	1.00
280_Q	283_Y	2.684	1.00
267_E	287_R	2.653	1.00
125_H	148_K	2.588	1.00
238_L	291_F	2.583	1.00
123_K	148_K	2.504	1.00
154_S	245_E	2.502	1.00
269_I	287_R	2.379	1.00
153_L	284_V	2.349	1.00
44_Q	97_I	2.330	1.00
113_L	143_M	2.179	1.00
113_L	146_R	2.125	1.00
139_F	143_M	2.124	1.00
113_L	117_D	2.098	1.00
48_I	68_S	2.089	1.00
39_S	44_Q	2.036	1.00
126_M	136_T	1.979	1.00
258_S	264_I	1.956	1.00
46_H	95_K	1.955	1.00
117_D	146_R	1.944	1.00
116_F	124_S	1.934	1.00
243_E	268_V	1.917	1.00
133_G	155_P	1.899	1.00
81_K	289_M	1.860	1.00
138_N	142_R	1.850	1.00
110_N	142_R	1.819	1.00
47_V	115_V	1.819	1.00
77_D	285_N	1.816	1.00
125_H	292_F	1.803	1.00
57_P	85_Y	1.796	1.00
41_R	114_D	1.781	1.00
49_A	85_Y	1.770	1.00
272_A	280_Q	1.745	1.00
140_L	150_A	1.719	1.00
62_H	89_I	1.717	1.00
57_P	121_I	1.714	1.00
125_H	151_A	1.677	1.00
250_P	268_V	1.671	1.00
50_S	86_A	1.666	1.00
57_P	83_R	1.652	1.00
82_Y	125_H	1.647	1.00
106_T	142_R	1.647	1.00
56_P	125_H	1.642	1.00
256_R	260_F	1.640	1.00
46_H	68_S	1.627	1.00
238_L	267_E	1.610	1.00
287_R	290_R	1.587	1.00
56_P	148_K	1.574	1.00
89_I	135_H	1.554	1.00
136_T	150_A	1.535	1.00
237_I	261_V	1.531	1.00
46_H	88_D	1.491	1.00
104_T	107_D	1.475	1.00
109_A	138_N	1.469	1.00
286_E	290_R	1.462	1.00
87_V	112_L	1.461	1.00
66_F	70_M	1.459	1.00
61_L	112_L	1.430	1.00
61_L	89_I	1.429	1.00
139_F	147_V	1.415	1.00
112_L	139_F	1.410	1.00
143_M	146_R	1.399	1.00
80_S	289_M	1.384	1.00
77_D	289_M	1.327	1.00
229_E	232_S	1.322	1.00
51_G	83_R	1.321	1.00
68_S	88_D	1.311	1.00
151_A	288_V	1.300	1.00
45_T	111_W	1.289	1.00
152_I	155_P	1.288	1.00
61_L	136_T	1.286	1.00
194_H	197_F	1.275	1.00
283_Y	287_R	1.274	1.00
85_Y	115_V	1.268	1.00
241_L	254_L	1.263	1.00
139_F	146_R	1.237	1.00
137_M	152_I	1.233	1.00
138_N	141_L	1.230	1.00
65_L	130_S	1.220	1.00
60_L	127_I	1.217	1.00
75_I	86_A	1.204	1.00
50_S	75_I	1.202	1.00
151_A	238_L	1.201	1.00
130_S	274_H	1.196	1.00
117_D	143_M	1.193	1.00
129_L	277_S	1.191	1.00
77_D	80_S	1.190	1.00
127_I	153_L	1.184	1.00
68_S	95_K	1.179	1.00
283_Y	286_E	1.178	1.00
60_L	84_T	1.171	1.00
255_H	259_S	1.157	1.00
261_V	264_I	1.142	1.00
121_I	124_S	1.141	1.00
58_L	82_Y	1.135	1.00
250_P	255_H	1.118	1.00
59_V	116_F	1.111	1.00
87_V	115_V	1.105	1.00
77_D	282_T	1.098	1.00
115_V	119_L	1.095	1.00
231_R	260_F	1.083	1.00
63_G	130_S	1.078	1.00
141_L	229_E	1.063	1.00
241_L	250_P	1.045	1.00
240_L	269_I	1.044	1.00
256_R	259_S	1.040	1.00
56_P	82_Y	1.036	1.00
61_L	126_M	1.031	1.00
116_F	139_F	1.030	1.00
258_S	266_A	1.029	1.00
269_I	272_A	1.027	1.00
265_E	287_R	1.026	1.00
81_K	293_N	1.026	1.00
68_S	86_A	1.025	1.00
241_L	266_A	1.022	1.00
241_L	268_V	1.010	1.00
284_V	288_V	1.009	1.00
267_E	290_R	1.008	1.00
88_D	94_N	1.007	1.00
47_V	119_L	1.004	1.00
289_M	293_N	1.000	1.00
238_L	265_E	0.999	1.00
124_S	147_V	0.998	1.00
127_I	288_V	0.997	1.00
52_P	83_R	0.995	1.00
273_G	279_E	0.993	1.00
149_S	236_P	0.978	1.00
82_Y	292_F	0.977	1.00
282_T	286_E	0.976	1.00
106_T	138_N	0.976	1.00
114_D	117_D	0.975	1.00
113_L	142_R	0.957	1.00
109_A	135_H	0.953	1.00
129_L	275_V	0.950	1.00
70_M	277_S	0.940	1.00
182_F	186_M	0.937	1.00
79_S	84_T	0.934	1.00
56_P	123_K	0.931	1.00
50_S	79_S	0.931	1.00
269_I	283_Y	0.931	1.00
138_N	229_E	0.923	1.00
175_A	178_G	0.923	1.00
255_H	258_S	0.919	1.00
255_H	268_V	0.919	1.00
45_T	96_S	0.916	1.00
195_P	199_K	0.915	1.00
255_H	266_A	0.915	1.00
59_V	124_S	0.914	1.00
200_Q	203_A	0.914	1.00
39_S	42_F	0.911	1.00
114_D	118_N	0.903	1.00
52_P	55_A	0.902	1.00
116_F	121_I	0.893	1.00
85_Y	119_L	0.891	1.00
272_A	279_E	0.885	1.00
240_L	287_R	0.884	1.00
124_S	146_R	0.884	1.00
150_A	237_I	0.879	1.00
113_L	116_F	0.876	1.00
82_Y	293_N	0.871	1.00
199_K	202_K	0.865	1.00
38_I	47_V	0.865	1.00
72_Y	86_A	0.865	1.00
56_P	149_S	0.861	1.00
58_L	84_T	0.859	1.00
199_K	203_A	0.859	1.00
107_D	110_N	0.855	1.00
76_A	79_S	0.850	1.00
128_G	136_T	0.845	1.00
272_A	276_L	0.843	1.00
243_E	271_N	0.843	1.00
153_L	277_S	0.841	1.00
40_T	114_D	0.837	1.00
212_R	216_P	0.835	1.00
61_L	87_V	0.832	1.00
57_P	82_Y	0.832	1.00
196_I	200_Q	0.828	1.00
89_I	131_L	0.824	1.00
58_L	127_I	0.819	1.00
110_N	113_L	0.819	1.00
73_P	76_A	0.818	1.00
267_E	283_Y	0.816	1.00
110_N	114_D	0.811	1.00
153_L	276_L	0.807	1.00
181_T	184_N	0.806	1.00
216_P	219_D	0.804	1.00
40_T	43_G	0.804	1.00
65_L	131_L	0.803	1.00
181_T	185_W	0.800	1.00
69_T	72_Y	0.798	1.00
197_F	200_Q	0.785	1.00
215_N	219_D	0.785	1.00
59_V	112_L	0.785	1.00
128_G	133_G	0.785	1.00
239_L	264_I	0.783	1.00
140_L	147_V	0.777	1.00
126_M	139_F	0.775	1.00
109_A	142_R	0.767	1.00
242_G	276_L	0.764	1.00
218_A	221_F	0.761	1.00
120_G	123_K	0.761	1.00
168_K	171_L	0.759	1.00
200_Q	204_G	0.758	1.00
149_S	291_F	0.757	1.00
38_I	118_N	0.756	1.00
234_R	262_P	0.756	1.00
75_I	84_T	0.750	1.00
214_P	217_N	0.748	1.00
164_H	168_K	0.748	1.00
43_G	90_I	0.746	1.00
41_R	110_N	0.744	1.00
198_V	201_F	0.742	1.00
254_L	266_A	0.742	1.00
166_F	170_A	0.739	1.00
228_E	231_R	0.738	1.00
285_N	289_M	0.737	1.00
48_I	72_Y	0.737	1.00
167_Y	170_A	0.736	1.00
108_Y	131_L	0.733	1.00
60_L	71_W	0.733	1.00
213_N	216_P	0.732	1.00
55_A	83_R	0.732	1.00
43_G	97_I	0.730	1.00
57_P	124_S	0.730	1.00
226_T	229_E	0.729	1.00
68_S	87_V	0.724	1.00
82_Y	289_M	0.717	1.00
109_A	139_F	0.712	1.00
167_Y	171_L	0.703	1.00
217_N	220_G	0.703	1.00
210_G	213_N	0.702	1.00
49_A	53_E	0.700	1.00
64_A	131_L	0.699	1.00
180_E	184_N	0.699	1.00
207_W	210_G	0.699	1.00
179_V	182_F	0.699	1.00
169_Y	172_G	0.697	1.00
129_L	154_S	0.696	1.00
154_S	276_L	0.695	1.00
46_H	96_S	0.694	1.00
140_L	235_V	0.691	1.00
126_M	147_V	0.689	1.00
151_A	291_F	0.688	1.00
88_D	95_K	0.687	1.00
154_S	241_L	0.685	1.00
89_I	108_Y	0.684	1.00
129_L	153_L	0.684	1.00
240_L	284_V	0.681	1.00
58_L	292_F	0.679	1.00
184_N	188_N	0.677	1.00
58_L	125_H	0.672	1.00
170_A	173_L	0.669	1.00
253_A	256_R	0.668	1.00
243_E	250_P	0.667	1.00
124_S	148_K	0.665	1.00
149_S	292_F	0.662	1.00
38_I	43_G	0.661	1.00
59_V	126_M	0.661	1.00
214_P	218_A	0.659	1.00
269_I	280_Q	0.654	1.00
45_T	90_I	0.654	1.00
54_D	83_R	0.652	1.00
74_N	77_D	0.652	1.00
151_A	292_F	0.650	1.00
62_H	87_V	0.649	1.00
286_E	289_M	0.648	1.00
167_Y	174_T	0.646	1.00
222_P	225_F	0.645	1.00
50_S	76_A	0.644	1.00
244_H	271_N	0.643	1.00
167_Y	173_L	0.643	1.00
154_S	242_G	0.641	1.00
128_G	132_G	0.641	1.00
122_E	146_R	0.640	1.00
85_Y	121_I	0.639	1.00
183_L	186_M	0.638	1.00
201_F	204_G	0.637	1.00
179_V	183_L	0.637	1.00
141_L	232_S	0.635	1.00
271_N	280_Q	0.633	1.00
170_A	174_T	0.631	1.00
106_T	110_N	0.630	1.00
90_I	108_Y	0.629	1.00
182_F	185_W	0.628	1.00
72_Y	76_A	0.627	1.00
245_E	274_H	0.624	1.00
105_R	138_N	0.624	1.00
41_R	107_D	0.623	1.00
74_N	284_V	0.618	1.00
53_E	83_R	0.617	1.00
83_R	121_I	0.615	1.00
165_D	168_K	0.615	1.00
75_I	79_S	0.612	1.00
168_K	172_G	0.611	1.00
166_F	169_Y	0.610	1.00
147_V	235_V	0.609	1.00
213_N	217_N	0.609	1.00
60_L	86_A	0.609	1.00
197_F	201_F	0.607	1.00
165_D	169_Y	0.606	1.00
133_G	152_I	0.605	1.00
158_T	161_P	0.603	1.00
140_L	233_A	0.602	1.00
134_L	156_A	0.601	1.00
219_D	223_Y	0.600	1.00
108_Y	135_H	0.593	1.00
239_L	254_L	0.591	1.00
254_L	258_S	0.588	1.00
281_P	285_N	0.588	1.00
130_S	275_V	0.584	1.00
89_I	112_L	0.582	1.00
59_V	87_V	0.582	1.00
265_E	290_R	0.581	1.00
49_A	119_L	0.578	1.00
142_R	229_E	0.578	1.00
196_I	199_K	0.575	1.00
221_F	224_V	0.569	1.00
61_L	135_H	0.568	1.00
48_I	86_A	0.566	1.00
55_A	81_K	0.562	1.00
137_M	155_P	0.560	1.00
207_W	211_S	0.559	1.00
39_S	43_G	0.558	1.00
127_I	151_A	0.556	1.00
151_A	240_L	0.555	1.00
110_N	143_M	0.555	1.00
198_V	202_K	0.550	1.00
109_A	113_L	0.550	1.00
240_L	267_E	0.550	1.00
257_A	261_V	0.550	1.00
160_L	164_H	0.549	1.00
124_S	139_F	0.549	1.00
220_G	224_V	0.548	1.00
227_D	260_F	0.545	1.00
71_W	75_I	0.545	1.00
290_R	293_N	0.543	1.00
221_F	225_F	0.539	1.00
161_P	164_H	0.539	1.00
152_I	239_L	0.538	1.00
227_D	256_R	0.537	1.00
288_V	292_F	0.536	1.00
191_N	194_H	0.533	1.00
163_H	166_F	0.529	1.00
48_I	69_T	0.528	1.00
277_S	284_V	0.528	1.00
178_G	181_T	0.527	1.00
185_W	188_N	0.524	1.00
190_Q	194_H	0.522	1.00
202_K	206_M	0.520	1.00
134_L	137_M	0.520	1.00
195_P	198_V	0.518	1.00
270_K	283_Y	0.518	1.00
179_V	186_M	0.518	1.00
219_D	222_P	0.515	1.00
115_V	118_N	0.514	1.00
215_N	218_A	0.514	1.00
64_A	130_S	0.512	1.00
78_W	84_T	0.511	1.00
239_L	261_V	0.511	1.00
66_F	275_V	0.511	1.00
239_L	258_S	0.510	1.00
71_W	74_N	0.510	1.00
116_F	146_R	0.509	1.00
239_L	266_A	0.509	1.00
166_F	173_L	0.508	1.00
112_L	135_H	0.507	1.00
230_L	233_A	0.507	1.00
129_L	276_L	0.506	1.00
233_A	261_V	0.505	1.00
69_T	95_K	0.505	1.00
171_L	174_T	0.505	1.00
70_M	129_L	0.504	1.00
205_V	210_G	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
1ehyA	1	0.86	100	0.235	Contact Map
4inzA	1	0.8533	100	0.244	Contact Map
3oosA	1	0.86	100	0.245	Contact Map
2pujA	4	0.8767	100	0.247	Contact Map
3om8A	4	0.8667	100	0.249	Contact Map
1iupA	2	0.86	100	0.253	Contact Map
2wueA	4	0.88	100	0.254	Contact Map
4psuA	1	0.9067	100	0.257	Contact Map
2xuaA	2	0.8467	100	0.258	Contact Map
4ccwA	1	0.9433	100	0.262	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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