Q9HS02 - HALSA - GREMLIN Contacts

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Q9HS02 - Aldehyde reductase

UniProt:	Q9HS02	Sequences: MRMAQDTQQRAAVVEEMPEFGLGTWENEDPSACADSVRTALEMGYRHIDTAQIYENEDAVGDGIAAADVDREDVFLATKVWTSELGDGDVAPATEQSLEKLGVDYVDLLYVHWPANQYDATETLAALADLQADGVTERIGVSNFEPRHLDEAEDVLGELPFANQVEFHPLLQQEELREYADGEDIELVAYSPLARGEVFDVPEIQAVAEKHGVSEAQVSLAWVRRKGVTAIPKATGEDHIADNWASLDLELDDEDVAKIDGIDRRERQVDPEFGPWN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	277 (253)
Sequences:	32402 (20941)
Seq/√Len:	1316.6

ECOLI - YDHF YAJO DKGA DKGB YDJG TAS YEAE GPR YDBC
BACSU - YTBE GR YRPG YCSN IOLS GS69 YCCK YQKF
HALSA - Q9HS02 Q9HPH9 Q9HNN3 Q9HQU7 Q9HQT1 Q9HSE6
SULSO - Q97UV9 Q97UG6 Q97ZZ1 Q97UJ7 Q97U17 Q97V56

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
39_T	241_A	3.112	1.00
95_E	135_V	2.862	1.00
65_A	102_G	2.722	1.00
30_P	62_D	2.694	1.00
211_H	255_D	2.648	1.00
252_D	255_D	2.466	1.00
34_A	66_A	2.423	1.00
91_A	129_D	2.382	1.00
94_T	130_L	2.367	1.00
91_A	133_D	2.287	1.00
39_T	43_M	2.266	1.00
210_K	258_K	2.093	1.00
128_A	132_A	2.060	1.00
34_A	62_D	2.039	1.00
96_Q	100_K	1.968	1.00
205_Q	209_E	1.967	1.00
225_R	256_V	1.963	1.00
105_Y	137_E	1.963	1.00
179_Y	183_E	1.957	1.00
129_D	133_D	1.931	1.00
210_K	255_D	1.891	1.00
237_E	241_A	1.889	1.00
70_D	73_D	1.862	1.00
253_D	257_A	1.861	1.00
39_T	237_E	1.842	1.00
180_A	187_L	1.841	1.00
206_A	258_K	1.826	1.00
87_D	129_D	1.797	1.00
21_G	47_H	1.773	1.00
43_M	241_A	1.726	1.00
226_K	260_D	1.680	1.00
110_Y	162_A	1.661	1.00
213_V	249_L	1.654	1.00
150_D	154_D	1.644	1.00
40_A	45_Y	1.634	1.00
129_D	132_A	1.630	1.00
150_D	179_Y	1.620	1.00
87_D	91_A	1.616	1.00
43_M	244_W	1.600	1.00
58_D	100_K	1.595	1.00
34_A	38_R	1.593	1.00
76_L	103_V	1.589	1.00
203_E	206_A	1.578	1.00
80_V	109_L	1.574	1.00
91_A	95_E	1.574	1.00
78_T	106_V	1.574	1.00
214_S	242_D	1.571	1.00
39_T	42_E	1.565	1.00
38_R	66_A	1.563	1.00
245_A	248_D	1.558	1.00
186_E	229_T	1.556	1.00
29_D	32_A	1.556	1.00
257_A	261_G	1.556	1.00
34_A	63_G	1.551	1.00
78_T	97_S	1.537	1.00
221_A	249_L	1.526	1.00
80_V	90_V	1.524	1.00
126_A	129_D	1.523	1.00
30_P	34_A	1.501	1.00
94_T	109_L	1.489	1.00
9_Q	16_E	1.488	1.00
24_T	48_I	1.468	1.00
77_A	110_Y	1.461	1.00
10_R	16_E	1.449	1.00
41_L	74_V	1.447	1.00
92_P	96_Q	1.439	1.00
52_Q	93_A	1.413	1.00
178_E	182_G	1.408	1.00
15_E	138_R	1.407	1.00
181_D	227_G	1.399	1.00
32_A	35_D	1.387	1.00
95_E	99_E	1.386	1.00
145_E	148_H	1.370	1.00
153_E	183_E	1.364	1.00
213_V	217_Q	1.355	1.00
110_Y	188_V	1.342	1.00
37_V	63_G	1.340	1.00
175_E	178_E	1.329	1.00
241_A	245_A	1.308	1.00
221_A	225_R	1.304	1.00
106_V	136_T	1.304	1.00
87_D	125_A	1.287	1.00
165_V	187_L	1.279	1.00
96_Q	99_E	1.279	1.00
15_E	75_F	1.276	1.00
38_R	42_E	1.269	1.00
35_D	39_T	1.266	1.00
258_K	261_G	1.253	1.00
138_R	161_F	1.252	1.00
153_E	179_Y	1.249	1.00
213_V	218_V	1.240	1.00
130_L	136_T	1.236	1.00
234_A	239_H	1.225	1.00
75_F	108_L	1.217	1.00
203_E	258_K	1.214	1.00
146_P	179_Y	1.211	1.00
136_T	139_I	1.209	1.00
91_A	126_A	1.206	1.00
87_D	126_A	1.204	1.00
101_L	106_V	1.194	1.00
132_A	157_G	1.193	1.00
214_S	217_Q	1.190	1.00
234_A	240_I	1.190	1.00
177_R	181_D	1.189	1.00
71_R	103_V	1.186	1.00
62_D	102_G	1.182	1.00
206_A	210_K	1.180	1.00
121_T	155_V	1.178	1.00
61_G	102_G	1.159	1.00
205_Q	215_E	1.153	1.00
57_E	97_S	1.132	1.00
31_S	35_D	1.132	1.00
114_P	148_H	1.127	1.00
167_F	226_K	1.126	1.00
88_G	92_P	1.119	1.00
71_R	105_Y	1.115	1.00
108_L	162_A	1.109	1.00
89_D	92_P	1.109	1.00
30_P	59_A	1.107	1.00
58_D	62_D	1.107	1.00
170_L	201_V	1.106	1.00
238_D	241_A	1.092	1.00
131_Q	161_F	1.088	1.00
150_D	183_E	1.086	1.00
166_E	171_L	1.077	1.00
95_E	133_D	1.077	1.00
94_T	106_V	1.073	1.00
86_G	89_D	1.071	1.00
47_H	188_V	1.068	1.00
47_H	77_A	1.065	1.00
127_L	139_I	1.062	1.00
24_T	60_V	1.062	1.00
150_D	182_G	1.061	1.00
48_I	60_V	1.056	1.00
207_V	218_V	1.052	1.00
122_E	125_A	1.048	1.00
202_P	206_A	1.037	1.00
128_A	131_Q	1.036	1.00
206_A	209_E	1.036	1.00
85_L	111_V	1.034	1.00
223_V	230_A	1.034	1.00
111_V	127_L	1.031	1.00
38_R	63_G	1.031	1.00
35_D	237_E	1.023	1.00
13_V	138_R	1.022	1.00
36_S	240_I	1.018	1.00
130_L	135_V	1.008	1.00
172_Q	263_D	1.007	1.00
169_P	259_I	1.007	1.00
46_R	75_F	1.007	1.00
131_Q	158_E	1.000	1.00
224_R	246_S	0.999	1.00
217_Q	245_A	0.995	1.00
12_A	161_F	0.992	1.00
204_I	215_E	0.992	1.00
146_P	150_D	0.990	1.00
202_P	205_Q	0.983	1.00
9_Q	14_V	0.981	1.00
169_P	219_S	0.978	1.00
151_E	155_V	0.974	1.00
57_E	100_K	0.973	1.00
174_E	178_E	0.959	1.00
18_P	46_R	0.956	1.00
62_D	66_A	0.951	1.00
18_P	45_Y	0.935	1.00
84_E	89_D	0.933	1.00
178_E	181_D	0.929	1.00
19_E	247_L	0.929	1.00
107_D	137_E	0.927	1.00
64_I	74_V	0.926	1.00
91_A	94_T	0.922	1.00
188_V	229_T	0.921	1.00
141_V	160_P	0.918	1.00
19_E	224_R	0.918	1.00
52_Q	89_D	0.918	1.00
217_Q	242_D	0.917	1.00
240_I	244_W	0.909	1.00
126_A	130_L	0.900	1.00
162_A	188_V	0.896	1.00
125_A	129_D	0.893	1.00
242_D	245_A	0.892	1.00
92_P	95_E	0.887	1.00
37_V	48_I	0.883	1.00
130_L	133_D	0.879	1.00
35_D	38_R	0.878	1.00
121_T	151_E	0.875	1.00
163_N	180_A	0.872	1.00
225_R	250_E	0.869	1.00
236_G	239_H	0.868	1.00
41_L	70_D	0.863	1.00
238_D	242_D	0.862	1.00
52_Q	84_E	0.860	1.00
58_D	99_E	0.860	1.00
257_A	260_D	0.856	1.00
128_A	157_G	0.854	1.00
13_V	161_F	0.854	1.00
141_V	149_L	0.854	1.00
87_D	122_E	0.842	1.00
179_Y	182_G	0.842	1.00
77_A	188_V	0.841	1.00
139_I	160_P	0.840	1.00
125_A	128_A	0.838	1.00
52_Q	100_K	0.837	1.00
149_L	185_I	0.829	1.00
220_L	246_S	0.825	1.00
254_E	258_K	0.821	1.00
226_K	256_V	0.820	1.00
91_A	130_L	0.819	1.00
254_E	257_A	0.815	1.00
207_V	211_H	0.815	1.00
77_A	108_L	0.805	1.00
128_A	139_I	0.805	1.00
151_E	154_D	0.803	1.00
22_L	40_A	0.798	1.00
43_M	245_A	0.790	1.00
13_V	131_Q	0.786	1.00
210_K	252_D	0.784	1.00
172_Q	260_D	0.779	1.00
66_A	70_D	0.778	1.00
211_H	252_D	0.777	1.00
52_Q	96_Q	0.775	1.00
219_S	223_V	0.772	1.00
177_R	187_L	0.769	1.00
143_N	190_Y	0.766	1.00
167_F	177_R	0.758	1.00
39_T	240_I	0.754	1.00
225_R	253_D	0.754	1.00
31_S	34_A	0.751	1.00
146_P	176_L	0.751	1.00
98_L	135_V	0.747	1.00
221_A	246_S	0.744	1.00
203_E	262_I	0.736	1.00
153_E	159_L	0.735	1.00
78_T	109_L	0.733	1.00
33_C	59_A	0.732	1.00
235_T	239_H	0.732	1.00
189_A	192_P	0.726	1.00
24_T	56_N	0.725	1.00
98_L	103_V	0.722	1.00
173_Q	178_E	0.721	1.00
113_W	143_N	0.720	1.00
50_T	60_V	0.709	1.00
192_P	232_P	0.707	1.00
176_L	180_A	0.704	1.00
38_R	70_D	0.699	1.00
90_V	130_L	0.697	1.00
85_L	123_T	0.697	1.00
45_Y	244_W	0.696	1.00
189_A	230_A	0.693	1.00
124_L	152_A	0.691	1.00
177_R	226_K	0.689	1.00
146_P	175_E	0.687	1.00
10_R	13_V	0.686	1.00
41_L	48_I	0.685	1.00
94_T	135_V	0.685	1.00
93_A	96_Q	0.683	1.00
213_V	245_A	0.683	1.00
124_L	160_P	0.681	1.00
216_A	242_D	0.680	1.00
213_V	248_D	0.680	1.00
36_S	237_E	0.679	1.00
97_S	109_L	0.676	1.00
20_F	224_R	0.674	1.00
22_L	27_N	0.670	1.00
222_W	260_D	0.668	1.00
141_V	144_F	0.667	1.00
124_L	139_I	0.666	1.00
9_Q	19_E	0.661	1.00
26_E	195_R	0.658	1.00
110_Y	140_G	0.658	1.00
207_V	255_D	0.657	1.00
28_E	56_N	0.656	1.00
186_E	228_V	0.655	1.00
128_A	158_E	0.655	1.00
106_V	109_L	0.652	1.00
211_H	218_V	0.651	1.00
223_V	228_V	0.649	1.00
17_M	229_T	0.645	1.00
90_V	123_T	0.645	1.00
72_E	105_Y	0.644	1.00
218_V	251_L	0.644	1.00
192_P	223_V	0.642	1.00
204_I	259_I	0.640	1.00
209_E	212_G	0.640	1.00
251_L	256_V	0.640	1.00
208_A	218_V	0.639	1.00
180_A	185_I	0.639	1.00
21_G	232_P	0.638	1.00
46_R	73_D	0.638	1.00
141_V	163_N	0.638	1.00
239_H	242_D	0.631	1.00
15_E	137_E	0.631	1.00
148_H	151_E	0.629	1.00
167_F	223_V	0.628	1.00
119_D	151_E	0.626	1.00
43_M	240_I	0.625	1.00
90_V	126_A	0.620	1.00
27_N	33_C	0.612	1.00
37_V	41_L	0.611	1.00
21_G	229_T	0.609	1.00
42_E	237_E	0.609	1.00
123_T	126_A	0.607	1.00
119_D	122_E	0.606	1.00
41_L	46_R	0.605	1.00
25_W	191_S	0.603	1.00
213_V	221_A	0.602	1.00
120_A	155_V	0.600	1.00
131_Q	136_T	0.598	1.00
127_L	131_Q	0.598	1.00
70_D	74_V	0.597	1.00
167_F	187_L	0.597	1.00
218_V	249_L	0.596	1.00
131_Q	138_R	0.590	1.00
12_A	184_D	0.590	1.00
204_I	219_S	0.588	1.00
120_A	123_T	0.587	1.00
128_A	156_L	0.586	1.00
9_Q	186_E	0.585	1.00
255_D	258_K	0.584	1.00
41_L	73_D	0.582	1.00
32_A	237_E	0.581	1.00
198_V	202_P	0.581	1.00
150_D	153_E	0.580	1.00
98_L	105_Y	0.578	1.00
69_V	74_V	0.576	1.00
115_A	118_Y	0.575	1.00
86_G	123_T	0.574	1.00
234_A	243_N	0.573	1.00
82_T	85_L	0.572	1.00
199_F	202_P	0.571	1.00
207_V	258_K	0.569	1.00
36_S	234_A	0.568	1.00
98_L	106_V	0.567	1.00
191_S	195_R	0.562	1.00
94_T	98_L	0.561	1.00
208_A	215_E	0.560	1.00
167_F	228_V	0.560	1.00
49_D	164_Q	0.559	1.00
251_L	255_D	0.557	1.00
80_V	85_L	0.557	1.00
91_A	135_V	0.555	1.00
218_V	255_D	0.553	1.00
27_N	36_S	0.553	1.00
217_Q	249_L	0.552	1.00
12_A	159_L	0.551	1.00
218_V	259_I	0.547	1.00
109_L	136_T	0.547	1.00
80_V	93_A	0.546	1.00
50_T	56_N	0.543	1.00
120_A	148_H	0.542	1.00
201_V	205_Q	0.541	1.00
10_R	186_E	0.538	1.00
53_I	81_W	0.538	1.00
109_L	127_L	0.537	1.00
224_R	230_A	0.537	1.00
154_D	158_E	0.537	1.00
48_I	64_I	0.530	1.00
98_L	104_D	0.530	1.00
20_F	247_L	0.530	1.00
22_L	36_S	0.530	1.00
37_V	60_V	0.529	1.00
199_F	203_E	0.528	1.00
167_F	172_Q	0.528	1.00
208_A	211_H	0.527	1.00
17_M	47_H	0.527	1.00
147_R	150_D	0.526	1.00
153_E	185_I	0.526	1.00
121_T	125_A	0.525	1.00
62_D	65_A	0.525	1.00
111_V	123_T	0.524	1.00
64_I	70_D	0.523	1.00
198_V	201_V	0.521	1.00
60_V	63_G	0.519	1.00
41_L	63_G	0.513	1.00
221_A	250_E	0.513	1.00
87_D	90_V	0.510	1.00
141_V	152_A	0.508	1.00
21_G	231_I	0.505	1.00
40_A	48_I	0.504	1.00
50_T	101_L	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
1vbjA	1	0.9892	100	0.115	Contact Map
1afsA	2	0.9928	100	0.116	Contact Map
1mi3A	3	0.9747	100	0.116	Contact Map
3up8A	1	0.9892	100	0.118	Contact Map
1hw6A	1	0.917	100	0.121	Contact Map
2wzmA	1	0.9783	100	0.121	Contact Map
4mhbA	4	0.9711	100	0.122	Contact Map
3f7jA	1	0.9892	100	0.122	Contact Map
3ln3A	2	0.8989	100	0.122	Contact Map
3b3dA	1	0.9892	100	0.124	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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