YITV - BACSU - GREMLIN Contacts

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YITV - Putative esterase YitV

UniProt:	P70948	Sequences: MIQIENQTVSGIPFLHIVKEENRHRAVPLVIFIHGFTSAKEHNLHIAYLLAEKGFRAVLPEALHHGERGEEMAVEELAGHFWDIVLNEIEEIGVLKNHFEKEGLIDGGRIGLAGTSMGGITTLGALTAYDWIKAGVSLMGSPNYVELFQQQIDHIQSQGIEIDVPEEKVQQLMKRLELRDLSLQPEKLQQRPLLFWHGAKDKVVPYAPTRKFYDTIKSHYSEQPERLQFIGDENADHKVPRAAVLKTIEWFETYL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	255 (218)
Sequences:	47462 (34567)
Seq/√Len:	2341.2

ECOLI - YJFP FRSA PTRB DLHH YCJY YFHR YGHX PLDB AES YPFH YIEL MHPC
BACSU - YITV YUXL CAH YTAP YTMA YQKD EST PLBAC YBFK YBAC YFHM NAP YISY
HALSA - Q9HN07 Q9HS46 Q9HPY2 Q9HP29
SULSO - Q97VD6 Q7LX61 Q97YB2 Q97VT8 Q97VW1 Q97VU2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
111_G	134_A	4.694	1.00
126_L	135_G	3.708	1.00
230_I	246_K	3.103	1.00
63_L	91_E	3.013	1.00
33_I	92_I	2.769	1.00
199_A	233_E	2.656	1.00
53_K	248_I	2.372	1.00
213_Y	227_L	2.336	1.00
199_A	231_G	2.291	1.00
210_R	231_G	2.247	1.00
137_S	140_G	2.230	1.00
206_Y	231_G	2.138	1.00
213_Y	229_F	2.114	1.00
123_L	137_S	2.108	1.00
111_G	251_F	1.984	1.00
112_L	122_T	1.983	1.00
27_V	56_R	1.981	1.00
49_L	53_K	1.902	1.00
18_V	56_R	1.879	1.00
30_V	113_A	1.873	1.00
96_K	132_I	1.854	1.00
29_L	56_R	1.830	1.00
93_G	97_N	1.823	1.00
93_G	129_Y	1.799	1.00
29_L	105_I	1.791	1.00
16_H	56_R	1.787	1.00
193_L	216_I	1.740	1.00
206_Y	210_R	1.732	1.00
122_T	135_G	1.732	1.00
106_D	109_R	1.712	1.00
136_V	247_T	1.667	1.00
135_G	193_L	1.639	1.00
232_D	246_K	1.638	1.00
197_H	209_T	1.610	1.00
32_F	113_A	1.595	1.00
115_T	139_M	1.576	1.00
92_I	125_A	1.552	1.00
194_L	230_I	1.544	1.00
184_Q	187_K	1.538	1.00
93_G	128_A	1.538	1.00
19_K	56_R	1.525	1.00
213_Y	217_K	1.512	1.00
14_F	58_V	1.487	1.00
124_G	128_A	1.473	1.00
100_E	131_W	1.467	1.00
93_G	125_A	1.465	1.00
228_Q	246_K	1.464	1.00
16_H	58_V	1.431	1.00
210_R	229_F	1.400	1.00
217_K	227_L	1.385	1.00
47_A	59_L	1.380	1.00
56_R	105_I	1.377	1.00
216_I	225_E	1.373	1.00
29_L	99_F	1.373	1.00
197_H	229_F	1.372	1.00
109_R	133_K	1.362	1.00
98_H	102_E	1.346	1.00
246_K	249_E	1.335	1.00
173_M	177_E	1.333	1.00
94_V	97_N	1.332	1.00
33_I	62_A	1.330	1.00
89_I	124_G	1.325	1.00
30_V	55_F	1.311	1.00
113_A	136_V	1.309	1.00
29_L	58_V	1.306	1.00
28_P	109_R	1.304	1.00
115_T	138_L	1.284	1.00
98_H	101_K	1.282	1.00
28_P	55_F	1.276	1.00
232_D	235_A	1.273	1.00
17_I	59_L	1.271	1.00
200_K	234_N	1.265	1.00
60_P	95_L	1.259	1.00
197_H	206_Y	1.256	1.00
97_N	131_W	1.255	1.00
188_L	191_R	1.254	1.00
210_R	214_D	1.241	1.00
172_L	175_R	1.238	1.00
96_K	110_I	1.236	1.00
97_N	101_K	1.236	1.00
58_V	99_F	1.227	1.00
113_A	138_L	1.211	1.00
33_I	60_P	1.203	1.00
35_G	116_S	1.202	1.00
123_L	212_F	1.201	1.00
119_G	140_G	1.196	1.00
199_A	234_N	1.187	1.00
85_V	88_E	1.185	1.00
32_F	57_A	1.185	1.00
38_S	120_I	1.183	1.00
14_F	95_L	1.179	1.00
33_I	112_L	1.156	1.00
112_L	125_A	1.155	1.00
169_V	172_L	1.149	1.00
58_V	95_L	1.148	1.00
124_G	127_T	1.148	1.00
23_R	27_V	1.139	1.00
199_A	206_Y	1.139	1.00
90_E	128_A	1.138	1.00
197_H	231_G	1.130	1.00
196_W	232_D	1.129	1.00
245_L	249_E	1.108	1.00
136_V	251_F	1.104	1.00
195_F	213_Y	1.104	1.00
19_K	27_V	1.099	1.00
243_A	247_T	1.095	1.00
211_K	215_T	1.093	1.00
211_K	214_D	1.090	1.00
31_I	95_L	1.087	1.00
44_L	48_Y	1.084	1.00
49_L	244_V	1.078	1.00
96_K	100_E	1.078	1.00
137_S	195_F	1.070	1.00
36_F	117_M	1.054	1.00
31_I	96_K	1.046	1.00
33_I	122_T	1.045	1.00
24_H	27_V	1.041	1.00
48_Y	52_E	1.035	1.00
219_H	225_E	1.030	1.00
51_A	57_A	1.017	1.00
49_L	52_E	1.015	1.00
49_L	248_I	1.015	1.00
175_R	178_L	1.008	1.00
152_I	155_I	1.007	1.00
138_L	247_T	1.003	1.00
195_F	209_T	0.995	1.00
111_G	133_K	0.987	1.00
180_D	183_L	0.984	1.00
174_K	177_E	0.981	1.00
103_G	106_D	0.979	1.00
135_G	191_R	0.973	1.00
192_P	226_R	0.971	1.00
196_W	230_I	0.968	1.00
13_P	61_E	0.957	1.00
34_H	62_A	0.944	1.00
173_M	176_L	0.940	1.00
15_L	40_K	0.931	1.00
166_E	169_V	0.927	1.00
214_D	218_S	0.924	1.00
139_M	201_D	0.922	1.00
120_I	124_G	0.912	1.00
127_T	184_Q	0.911	1.00
207_A	210_R	0.909	1.00
97_N	129_Y	0.906	1.00
18_V	104_L	0.905	1.00
174_K	178_L	0.905	1.00
150_Q	154_H	0.903	1.00
40_K	67_E	0.897	1.00
147_L	151_Q	0.897	1.00
120_I	141_S	0.894	1.00
196_W	243_A	0.893	1.00
32_F	47_A	0.885	1.00
87_N	90_E	0.884	1.00
14_F	98_H	0.882	1.00
62_A	117_M	0.867	1.00
92_I	121_T	0.866	1.00
32_F	43_N	0.857	1.00
112_L	132_I	0.846	1.00
90_E	94_V	0.843	1.00
139_M	239_V	0.838	1.00
138_L	243_A	0.837	1.00
46_I	244_V	0.834	1.00
68_R	87_N	0.827	1.00
151_Q	155_I	0.826	1.00
168_K	172_L	0.819	1.00
95_L	98_H	0.817	1.00
11_G	69_G	0.815	1.00
194_L	228_Q	0.814	1.00
32_F	59_L	0.812	1.00
10_S	69_G	0.808	1.00
30_V	111_G	0.807	1.00
17_I	57_A	0.805	1.00
169_V	173_M	0.802	1.00
215_T	219_H	0.799	1.00
182_S	185_P	0.796	1.00
195_F	212_F	0.793	1.00
186_E	215_T	0.789	1.00
168_K	171_Q	0.788	1.00
148_F	152_I	0.784	1.00
149_Q	152_I	0.783	1.00
112_L	135_G	0.780	1.00
29_L	110_I	0.779	1.00
47_A	57_A	0.772	1.00
23_R	26_A	0.768	1.00
126_L	191_R	0.765	1.00
86_L	90_E	0.763	1.00
215_T	218_S	0.761	1.00
136_V	194_L	0.760	1.00
161_E	166_E	0.757	1.00
47_A	51_A	0.755	1.00
38_S	42_H	0.755	1.00
100_E	110_I	0.752	1.00
123_L	142_P	0.746	1.00
43_N	115_T	0.742	1.00
202_K	236_D	0.741	1.00
213_Y	219_H	0.739	1.00
124_G	184_Q	0.738	1.00
182_S	215_T	0.737	1.00
149_Q	153_D	0.737	1.00
143_N	211_K	0.737	1.00
60_P	92_I	0.735	1.00
100_E	107_G	0.734	1.00
55_F	251_F	0.734	1.00
167_E	170_Q	0.731	1.00
125_A	129_Y	0.725	1.00
167_E	172_L	0.723	1.00
111_G	136_V	0.721	1.00
235_A	239_V	0.720	1.00
138_L	196_W	0.719	1.00
123_L	140_G	0.719	1.00
134_A	194_L	0.717	1.00
210_R	213_Y	0.712	1.00
197_H	204_V	0.703	1.00
139_M	238_K	0.700	1.00
244_V	247_T	0.698	1.00
220_Y	227_L	0.691	1.00
89_I	93_G	0.690	1.00
150_Q	153_D	0.690	1.00
216_I	227_L	0.689	1.00
139_M	240_P	0.686	1.00
50_L	113_A	0.685	1.00
220_Y	225_E	0.679	1.00
17_I	47_A	0.678	1.00
28_P	111_G	0.675	1.00
171_Q	174_K	0.673	1.00
135_G	212_F	0.672	1.00
139_M	198_G	0.672	1.00
43_N	46_I	0.671	1.00
171_Q	175_R	0.666	1.00
207_A	211_K	0.663	1.00
167_E	171_Q	0.661	1.00
168_K	175_R	0.657	1.00
26_A	106_D	0.656	1.00
177_E	183_L	0.651	1.00
209_T	213_Y	0.650	1.00
185_P	188_L	0.649	1.00
26_A	104_L	0.647	1.00
161_E	167_E	0.643	1.00
71_E	74_V	0.642	1.00
27_V	54_G	0.641	1.00
34_H	65_H	0.641	1.00
169_V	176_L	0.640	1.00
115_T	240_P	0.638	1.00
141_S	144_Y	0.636	1.00
186_E	189_Q	0.636	1.00
55_F	111_G	0.635	1.00
30_V	50_L	0.634	1.00
134_A	250_W	0.632	1.00
31_I	99_F	0.632	1.00
110_I	132_I	0.629	1.00
13_P	67_E	0.628	1.00
95_L	99_F	0.625	1.00
97_N	100_E	0.623	1.00
134_A	251_F	0.619	1.00
208_P	211_K	0.617	1.00
170_Q	173_M	0.617	1.00
116_S	237_H	0.614	1.00
27_V	104_L	0.614	1.00
172_L	176_L	0.613	1.00
119_G	137_S	0.609	1.00
170_Q	174_K	0.606	1.00
167_E	176_L	0.604	1.00
217_K	220_Y	0.604	1.00
89_I	128_A	0.603	1.00
166_E	170_Q	0.602	1.00
58_V	103_G	0.600	1.00
17_I	51_A	0.599	1.00
166_E	171_Q	0.596	1.00
198_G	239_V	0.592	1.00
151_Q	154_H	0.591	1.00
62_A	65_H	0.590	1.00
107_G	110_I	0.589	1.00
213_Y	220_Y	0.587	1.00
148_F	153_D	0.584	1.00
123_L	193_L	0.584	1.00
50_L	247_T	0.581	1.00
142_P	212_F	0.580	1.00
94_V	98_H	0.578	1.00
149_Q	154_H	0.576	1.00
88_E	91_E	0.573	1.00
128_A	184_Q	0.573	1.00
173_M	178_L	0.571	1.00
134_A	192_P	0.570	1.00
115_T	238_K	0.567	1.00
100_E	103_G	0.563	1.00
108_G	133_K	0.563	1.00
106_D	133_K	0.562	1.00
148_F	151_Q	0.562	1.00
31_I	58_V	0.561	1.00
244_V	248_I	0.560	1.00
90_E	93_G	0.560	1.00
15_L	44_L	0.559	1.00
93_G	131_W	0.557	1.00
122_T	137_S	0.554	1.00
93_G	96_K	0.551	1.00
140_G	204_V	0.550	1.00
110_I	133_K	0.546	1.00
38_S	141_S	0.545	1.00
65_H	68_R	0.535	1.00
209_T	229_F	0.533	1.00
100_E	133_K	0.531	1.00
40_K	61_E	0.530	1.00
168_K	173_M	0.530	1.00
96_K	125_A	0.530	1.00
86_L	128_A	0.529	1.00
161_E	168_K	0.529	1.00
183_L	186_E	0.528	1.00
117_M	121_T	0.527	1.00
247_T	251_F	0.523	1.00
232_D	239_V	0.522	1.00
200_K	236_D	0.520	1.00
48_Y	51_A	0.519	1.00
195_F	227_L	0.514	1.00
103_G	107_G	0.513	1.00
167_E	175_R	0.513	1.00
37_T	65_H	0.513	1.00
88_E	121_T	0.511	1.00
87_N	91_E	0.510	1.00
228_Q	231_G	0.509	1.00
147_L	150_Q	0.508	1.00
71_E	75_E	0.507	1.00
32_F	115_T	0.506	1.00
245_L	248_I	0.505	1.00
40_K	59_L	0.503	1.00
182_S	211_K	0.502	1.00
180_D	184_Q	0.501	1.00
62_A	121_T	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
4q1vA	2	0.9255	100	0.285	Contact Map
2z3zA	2	0.9216	100	0.285	Contact Map
1xfdA	2	0.9255	100	0.286	Contact Map
4hxfB	4	0.9451	100	0.294	Contact Map
3azoA	1	0.9569	100	0.299	Contact Map
4wjlA	2	0.9255	100	0.299	Contact Map
2ecfA	2	0.9255	100	0.3	Contact Map
4bp8A	1	0.9647	100	0.303	Contact Map
2xe4A	1	0.9647	100	0.309	Contact Map
1z68A	2	0.9333	100	0.312	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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