Q9HPT9 - HALSA - GREMLIN Contacts

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Q9HPT9 - Carboxylesterase

UniProt:	Q9HPT9	Sequences: MPLVALAATMETLAHHGRSTAYRVRGSADAPTVLFVHGSGGTHAVWKAQLARLADTYRVAALDLPGHGDSDDIETDPGPETLDAYAADVRAVAADVGASVLVGNSLGGAVVLTAVLDGGVEPDAVVLAGCGATLAVADSLRAWLAGDGPGFERALAFLHDSGRLFHDPDDRTLALSKDAMRDCGRAVVNRDFRSCHSFDVRTRLSEIDSPVFALTGDHDHLTPPSAHEFLAEHVQTGGWTTLPDAAHLSMLETPDQFNDALDAFLSDPALVARR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	274 (247)
Sequences:	62056 (50689)
Seq/√Len:	3225.3

ECOLI - MHPC RUTD BIOH PLDB YBFF MENH YCJY YFHR
BACSU - YFHM YUGF NAP YDJP RSBQ YBFK YISY YRAK MENH YCGS YVAM YBAC YBDG YQJL YCLE PLBAC EST YQKD CAH
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
24_V	58_R	4.717	1.00
100_V	124_A	4.211	1.00
65_P	88_D	3.486	1.00
49_Q	258_N	2.975	1.00
90_R	114_A	2.846	1.00
253_T	256_Q	2.680	1.00
217_D	243_P	2.663	1.00
240_T	260_A	2.658	1.00
212_F	264_F	2.603	1.00
100_V	123_D	2.578	1.00
129_G	219_D	2.559	1.00
98_A	123_D	2.453	1.00
242_L	260_A	2.357	1.00
128_A	257_F	2.349	1.00
19_S	71_D	2.225	1.00
23_R	43_H	2.149	1.00
114_A	118_G	2.094	1.00
90_R	121_E	2.093	1.00
90_R	94_A	2.077	1.00
90_R	118_G	2.040	1.00
217_D	241_T	2.039	1.00
93_A	99_S	1.972	1.00
101_L	111_V	1.966	1.00
52_R	258_N	1.894	1.00
231_A	237_G	1.891	1.00
32_T	60_A	1.843	1.00
21_A	69_D	1.841	1.00
113_T	117_D	1.836	1.00
94_A	121_E	1.835	1.00
108_G	130_C	1.831	1.00
56_T	262_D	1.822	1.00
31_P	100_V	1.822	1.00
100_V	265_L	1.810	1.00
224_P	241_T	1.795	1.00
22_Y	92_V	1.782	1.00
32_T	58_R	1.757	1.00
24_V	60_A	1.748	1.00
245_A	253_T	1.733	1.00
115_V	125_V	1.732	1.00
31_P	123_D	1.720	1.00
87_A	117_D	1.704	1.00
212_F	240_T	1.627	1.00
21_A	43_H	1.614	1.00
211_V	234_V	1.608	1.00
260_A	263_A	1.599	1.00
100_V	126_V	1.586	1.00
37_H	67_H	1.585	1.00
37_H	64_L	1.577	1.00
57_Y	100_V	1.569	1.00
25_R	61_A	1.559	1.00
86_A	113_T	1.539	1.00
229_F	233_H	1.531	1.00
83_D	117_D	1.529	1.00
41_G	45_V	1.504	1.00
36_V	64_L	1.504	1.00
64_L	110_V	1.494	1.00
16_H	91_A	1.492	1.00
111_V	125_V	1.491	1.00
62_L	89_V	1.490	1.00
36_V	89_V	1.487	1.00
118_G	121_E	1.429	1.00
114_A	122_P	1.416	1.00
89_V	114_A	1.412	1.00
21_A	63_D	1.386	1.00
259_D	263_A	1.372	1.00
43_H	63_D	1.371	1.00
52_R	262_D	1.365	1.00
81_T	84_A	1.352	1.00
203_R	206_E	1.323	1.00
112_L	127_L	1.316	1.00
169_D	172_T	1.308	1.00
256_Q	260_A	1.285	1.00
94_A	118_G	1.281	1.00
36_V	111_V	1.272	1.00
114_A	121_E	1.272	1.00
113_T	116_L	1.268	1.00
126_V	261_L	1.265	1.00
215_T	227_H	1.261	1.00
52_R	55_D	1.243	1.00
104_N	250_M	1.239	1.00
60_A	92_V	1.231	1.00
35_F	102_V	1.226	1.00
127_L	130_C	1.224	1.00
224_P	228_E	1.223	1.00
50_L	61_A	1.215	1.00
102_V	128_A	1.214	1.00
18_R	65_P	1.214	1.00
40_G	67_H	1.202	1.00
20_T	88_D	1.179	1.00
43_H	69_D	1.174	1.00
256_Q	259_D	1.173	1.00
126_V	212_F	1.161	1.00
116_L	203_R	1.156	1.00
105_S	247_H	1.155	1.00
33_V	57_Y	1.155	1.00
35_F	59_V	1.145	1.00
25_R	50_L	1.123	1.00
228_E	232_E	1.114	1.00
231_A	239_W	1.113	1.00
26_G	58_R	1.112	1.00
215_T	241_T	1.100	1.00
31_P	57_Y	1.096	1.00
242_L	245_A	1.088	1.00
92_V	96_V	1.088	1.00
45_V	250_M	1.079	1.00
40_G	105_S	1.069	1.00
234_V	237_G	1.065	1.00
154_A	158_L	1.064	1.00
34_L	93_A	1.063	1.00
43_H	61_A	1.063	1.00
38_G	105_S	1.062	1.00
215_T	239_W	1.057	1.00
99_S	122_P	1.052	1.00
214_L	242_L	1.052	1.00
191_D	194_S	1.049	1.00
56_T	266_S	1.041	1.00
52_R	255_D	1.033	1.00
205_S	233_H	1.032	1.00
212_F	238_G	1.028	1.00
36_V	101_L	1.026	1.00
238_G	260_A	1.019	1.00
57_Y	265_L	1.018	1.00
31_P	98_A	1.013	1.00
257_F	261_L	1.011	1.00
262_D	266_S	1.009	1.00
83_D	113_T	1.001	1.00
102_V	261_L	0.995	1.00
229_F	232_E	0.990	1.00
22_Y	96_V	0.984	1.00
124_A	210_P	0.978	1.00
62_L	92_V	0.975	1.00
246_A	252_E	0.974	1.00
86_A	110_V	0.968	1.00
103_G	111_V	0.957	1.00
215_T	224_P	0.952	1.00
93_A	114_A	0.946	1.00
90_R	117_D	0.945	1.00
255_D	259_D	0.935	1.00
245_A	252_E	0.935	1.00
54_A	59_V	0.933	1.00
242_L	256_Q	0.931	1.00
188_V	192_F	0.920	1.00
228_E	239_W	0.918	1.00
27_S	30_A	0.917	1.00
174_A	177_K	0.916	1.00
240_T	263_A	0.916	1.00
228_E	231_A	0.916	1.00
63_D	68_G	0.915	1.00
18_R	71_D	0.911	1.00
104_N	248_L	0.908	1.00
128_A	250_M	0.906	1.00
190_R	193_R	0.906	1.00
51_A	54_A	0.904	1.00
25_R	54_A	0.904	1.00
99_S	121_E	0.901	1.00
228_E	241_T	0.901	1.00
90_R	93_A	0.898	1.00
217_D	244_D	0.889	1.00
57_Y	266_S	0.889	1.00
84_A	87_A	0.882	1.00
30_A	58_R	0.879	1.00
91_A	94_A	0.875	1.00
150_G	153_R	0.871	1.00
179_A	182_D	0.869	1.00
214_L	260_A	0.869	1.00
47_K	61_A	0.868	1.00
34_L	99_S	0.863	1.00
79_P	84_A	0.859	1.00
128_A	249_S	0.855	1.00
60_A	96_V	0.850	1.00
155_L	159_H	0.849	1.00
187_V	190_R	0.844	1.00
188_V	191_D	0.844	1.00
240_T	256_Q	0.841	1.00
143_W	147_D	0.833	1.00
141_R	145_A	0.832	1.00
245_A	249_S	0.831	1.00
64_L	106_L	0.830	1.00
31_P	124_A	0.830	1.00
91_A	95_D	0.826	1.00
153_R	157_F	0.825	1.00
189_N	193_R	0.825	1.00
33_V	102_V	0.824	1.00
48_A	51_A	0.823	1.00
177_K	181_R	0.820	1.00
190_R	194_S	0.814	1.00
192_F	195_C	0.814	1.00
113_T	203_R	0.812	1.00
33_V	59_V	0.808	1.00
173_L	177_K	0.808	1.00
32_T	99_S	0.806	1.00
140_L	143_W	0.806	1.00
125_V	211_V	0.805	1.00
51_A	55_D	0.804	1.00
20_T	70_S	0.798	1.00
86_A	117_D	0.798	1.00
87_A	90_R	0.794	1.00
115_V	122_P	0.793	1.00
175_L	178_D	0.787	1.00
50_L	59_V	0.784	1.00
170_D	174_A	0.778	1.00
174_A	178_D	0.777	1.00
87_A	91_A	0.776	1.00
35_F	46_W	0.773	1.00
162_G	165_F	0.771	1.00
175_L	179_A	0.770	1.00
36_V	62_L	0.766	1.00
213_A	237_G	0.764	1.00
124_A	264_F	0.760	1.00
85_Y	106_L	0.760	1.00
32_T	57_Y	0.748	1.00
208_D	235_Q	0.748	1.00
103_G	108_G	0.748	1.00
140_L	144_L	0.745	1.00
226_A	229_F	0.742	1.00
23_R	47_K	0.737	1.00
155_L	158_L	0.732	1.00
99_S	123_D	0.731	1.00
186_A	190_R	0.730	1.00
157_F	161_S	0.728	1.00
151_F	155_L	0.727	1.00
34_L	89_V	0.726	1.00
258_N	262_D	0.724	1.00
154_A	157_F	0.724	1.00
163_R	166_H	0.723	1.00
216_G	249_S	0.722	1.00
44_A	47_K	0.719	1.00
183_C	186_A	0.718	1.00
47_K	51_A	0.716	1.00
101_L	122_P	0.716	1.00
227_H	239_W	0.713	1.00
152_E	156_A	0.711	1.00
142_A	146_G	0.707	1.00
104_N	129_G	0.706	1.00
50_L	54_A	0.704	1.00
217_D	224_P	0.704	1.00
144_L	147_D	0.703	1.00
129_G	249_S	0.703	1.00
33_V	265_L	0.701	1.00
168_P	172_T	0.700	1.00
242_L	253_T	0.700	1.00
63_D	69_D	0.699	1.00
57_Y	262_D	0.698	1.00
126_V	264_F	0.698	1.00
164_L	167_D	0.698	1.00
101_L	114_A	0.690	1.00
37_H	62_L	0.689	1.00
225_S	228_E	0.688	1.00
43_H	62_L	0.687	1.00
39_S	106_L	0.687	1.00
86_A	114_A	0.687	1.00
142_A	145_A	0.685	1.00
49_Q	52_R	0.685	1.00
191_D	195_C	0.681	1.00
124_A	265_L	0.681	1.00
40_G	106_L	0.680	1.00
64_L	85_Y	0.680	1.00
27_S	58_R	0.674	1.00
151_F	157_F	0.673	1.00
115_V	209_S	0.671	1.00
141_R	144_L	0.670	1.00
151_F	154_A	0.668	1.00
259_D	262_D	0.666	1.00
170_D	173_L	0.665	1.00
126_V	265_L	0.665	1.00
129_G	216_G	0.665	1.00
157_F	160_D	0.659	1.00
33_V	100_V	0.654	1.00
116_L	206_E	0.652	1.00
104_N	128_A	0.652	1.00
143_W	146_G	0.649	1.00
145_A	148_G	0.647	1.00
109_A	131_G	0.645	1.00
129_G	215_T	0.645	1.00
83_D	87_A	0.644	1.00
184_G	187_V	0.639	1.00
244_D	253_T	0.639	1.00
102_V	126_V	0.636	1.00
187_V	191_D	0.635	1.00
254_P	258_N	0.634	1.00
122_P	209_S	0.634	1.00
156_A	159_H	0.634	1.00
214_L	257_F	0.631	1.00
49_Q	257_F	0.629	1.00
46_W	50_L	0.628	1.00
29_D	58_R	0.625	1.00
144_L	149_P	0.624	1.00
55_D	262_D	0.621	1.00
64_L	67_H	0.620	1.00
166_H	169_D	0.618	1.00
171_R	175_L	0.611	1.00
178_D	181_R	0.611	1.00
202_T	205_S	0.610	1.00
176_S	179_A	0.609	1.00
164_L	168_P	0.606	1.00
21_A	70_S	0.606	1.00
218_H	244_D	0.604	1.00
20_T	65_P	0.603	1.00
65_P	85_Y	0.601	1.00
112_L	132_A	0.601	1.00
176_S	180_M	0.598	1.00
127_L	213_A	0.594	1.00
34_L	62_L	0.592	1.00
34_L	101_L	0.590	1.00
168_P	171_R	0.589	1.00
24_V	27_S	0.587	1.00
24_V	96_V	0.586	1.00
154_A	159_H	0.585	1.00
145_A	149_P	0.582	1.00
46_W	49_Q	0.581	1.00
151_F	158_L	0.580	1.00
103_G	107_G	0.578	1.00
150_G	157_F	0.577	1.00
156_A	160_D	0.577	1.00
144_L	148_G	0.571	1.00
85_Y	110_V	0.569	1.00
16_H	87_A	0.567	1.00
169_D	173_L	0.566	1.00
16_H	84_A	0.561	1.00
25_R	51_A	0.560	1.00
105_S	248_L	0.554	1.00
230_L	234_V	0.553	1.00
219_D	247_H	0.553	1.00
155_L	160_D	0.553	1.00
56_T	59_V	0.552	1.00
201_R	233_H	0.551	1.00
86_A	90_R	0.550	1.00
200_V	203_R	0.549	1.00
261_L	265_L	0.547	1.00
80_E	84_A	0.544	1.00
93_A	121_E	0.544	1.00
82_L	113_T	0.543	1.00
140_L	147_D	0.543	1.00
126_V	214_L	0.541	1.00
188_V	194_S	0.539	1.00
173_L	176_S	0.539	1.00
53_L	261_L	0.539	1.00
238_G	263_A	0.538	1.00
35_F	61_A	0.535	1.00
249_S	257_F	0.535	1.00
23_R	61_A	0.534	1.00
30_A	57_Y	0.533	1.00
108_G	127_L	0.531	1.00
213_A	239_W	0.529	1.00
124_A	212_F	0.529	1.00
227_H	231_A	0.529	1.00
158_L	161_S	0.528	1.00
201_R	229_F	0.527	1.00
153_R	156_A	0.525	1.00
231_A	234_V	0.524	1.00
99_S	114_A	0.524	1.00
196_H	199_D	0.520	1.00
98_A	121_E	0.519	1.00
172_T	175_L	0.519	1.00
189_N	192_F	0.517	1.00
41_G	248_L	0.516	1.00
33_V	53_L	0.515	1.00
44_A	69_D	0.511	1.00
45_V	104_N	0.510	1.00
92_V	95_D	0.508	1.00
213_A	227_H	0.507	1.00
150_G	158_L	0.506	1.00
64_L	89_V	0.506	1.00
109_A	112_L	0.506	1.00
35_F	53_L	0.505	1.00
117_D	203_R	0.503	1.00
250_M	257_F	0.502	1.00
169_D	177_K	0.502	1.00
23_R	44_A	0.501	1.00
112_L	130_C	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
4inzA	1	0.9343	100	0.188	Contact Map
3om8A	4	0.9453	100	0.192	Contact Map
1ehyA	1	0.938	100	0.2	Contact Map
3oosA	1	0.938	100	0.208	Contact Map
2xuaA	2	0.927	100	0.212	Contact Map
4psuA	1	0.9453	100	0.215	Contact Map
2pujA	4	0.9416	100	0.215	Contact Map
1iupA	2	0.927	100	0.221	Contact Map
1q0rA	1	0.9526	100	0.225	Contact Map
4opmA	2	0.9745	100	0.229	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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