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- The QSFR and QSSR of mutant proteins data set
-
-
SOURCE: Damborsky J., Laboratory of Biomolecular Structure and Dynamics, Masaryk
University, Kotlarska 2, 611 37 Brno, Czech Republic, jiri@chemi.muni.cz
-
ORIGINAL REFERENCE: Damborsky J., Quantitative structure-function and structure-stability relationships of purposely modified
proteins, Protein Engineering 11: 21-30, 1998
-
REMARKS: only the variables which were fixed in the final models are provided
- DATA:
4 biological responses (y variables). 9 properties
(x variables). 20 compounds (amino acids) (objects)
|
Dhla-172
|
Subt-222
|
Lyso-157
|
Synt-49
|
A362
|
C144
|
H132
|
H311
|
H377
|
P159
|
P214
|
P383
|
P399
|
Ala
|
0.10
|
53.0
|
1.4
|
8.5
|
-0.062
|
0.892
|
0.87
|
0.934
|
0.507
|
0.025
|
-1.404
|
0.89
|
11.50
|
Arg
|
0.01
|
0.5
|
1.3
|
-
|
-0.167
|
0.901
|
0.85
|
0.962
|
0.459
|
0.200
|
-0.921
|
0.88
|
14.28
|
Asn
|
0.07
|
15.0
|
0.5
|
8.2
|
0.166
|
0.930
|
0.09
|
0.986
|
0.287
|
0.100
|
-1.178
|
0.89
|
12.82
|
Asp
|
-
|
4.1
|
1.1
|
8.5
|
-0.079
|
0.932
|
0.66
|
0.994
|
0.223
|
0.100
|
-1.162
|
0.87
|
11.68
|
Cys
|
-
|
138.0
|
1.3
|
11.0
|
0.380
|
0.930
|
1.52
|
0.900
|
0.590
|
0.100
|
-1.400
|
0.85
|
13.50
|
Gln
|
-
|
7.2
|
-
|
6.3
|
-0.025
|
0.885
|
0.00
|
1.047
|
0.383
|
0.100
|
-1.116
|
0.82
|
14.45
|
Glu
|
0.03
|
3.6
|
1.5
|
8.8
|
-0.184
|
0.933
|
0.67
|
0.986
|
0.445
|
0.100
|
-1.163
|
0.84
|
13.57
|
Gly
|
0.04
|
30.0
|
1.1
|
7.1
|
-0.017
|
0.923
|
0.10
|
1.015
|
0.390
|
0.025
|
-1.364
|
0.92
|
3.40
|
His
|
0.88
|
4.0
|
2.1
|
10.1
|
0.056
|
0.894
|
0.87
|
0.882
|
0.310
|
0.100
|
-1.215
|
0.83
|
13.69
|
Ile
|
0.05
|
2.2
|
2.9
|
16.8
|
-0.309
|
0.872
|
3.15
|
0.766
|
0.111
|
0.190
|
-1.189
|
0.76
|
21.40
|
Leu
|
0.04
|
12.0
|
1.3
|
15.0
|
-0.264
|
0.921
|
2.17
|
0.825
|
0.619
|
0.190
|
-1.315
|
0.73
|
21.40
|
Lys
|
-
|
0.3
|
-
|
7.9
|
-0.371
|
1.057
|
1.64
|
1.040
|
0.559
|
0.200
|
-1.074
|
0.97
|
15.71
|
Met
|
1.57
|
100.0
|
.
|
13.3
|
0.077
|
0.804
|
1.67
|
0.804
|
0.431
|
0.190
|
-1.303
|
0.74
|
16.25
|
Phe
|
2.32
|
4.9
|
2.4
|
11.2
|
0.074
|
0.914
|
2.87
|
0.773
|
0.077
|
0.390
|
-1.135
|
0.52
|
19.80
|
Pro
|
0.02
|
13.0
|
-
|
8.2
|
-0.036
|
0.932
|
2.77
|
1.047
|
0.739
|
0.170
|
-1.236
|
0.82
|
17.43
|
Ser
|
0.09
|
35.0
|
0.7
|
7.4
|
0.470
|
0.923
|
0.07
|
1.056
|
0.689
|
0.025
|
-1.297
|
0.96
|
9.47
|
Thr
|
0.01
|
28.0
|
0.0
|
8.8
|
0.348
|
0.934
|
0.07
|
1.008
|
0.785
|
0.100
|
-1.252
|
0.92
|
15.77
|
Trp
|
5.46
|
4.8
|
-
|
9.9
|
0.050
|
0.803
|
3.77
|
0.848
|
0.160
|
0.560
|
-1.030
|
0.20
|
21.67
|
Tyr
|
6.19
|
4.0
|
-
|
8.8
|
0.220
|
0.837
|
2.67
|
0.931
|
0.060
|
0.390
|
-1.030
|
0.49
|
18.03
|
Val
|
0.08
|
9.3
|
1.6
|
12.0
|
-0.212
|
0.913
|
1.87
|
0.825
|
0.356
|
0.150
|
-1.254
|
0.85
|
21.57
|
This data file in DIF format (qsfsr.dif) and in MS-Excel format: qsfsr.xls.
Last updated: March 15, 2001 |
