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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 relationships of the single-point mutants of haloalkane
dehalogenase: A multivariate
approach. Quantitative Structure-Activity Relationships 16: 126-135, 1997
-
DATA:
1 biological response
|
k
|
V
|
B
|
As
|
Af
|
Ar
|
Bc
|
Bj
|
Ej
|
dG
|
Ht
|
He
|
Hk
|
-Hp
|
Hf
|
Gh
|
Ha
|
Fr
|
Fb
|
F0
|
Ca
|
Cb
|
Cr
|
Q
|
R
|
Pe
|
Pz
|
Pr
|
pl
|
pK
|
Et
|
Es
|
El
|
D
|
Ala
|
0.1
|
91.50
|
11.50
|
118.10
|
31.50
|
3.70
|
38
|
51
|
15
|
0.61
|
0.87
|
0.25
|
1.80
|
2.10
|
12.28
|
2.63
|
13.65
|
705.42
|
0.357
|
1.041
|
1.29
|
0.9
|
0.78
|
0
|
4.34
|
-0.02
|
0.00
|
9.9
|
6.00
|
2.35
|
1.89
|
1.40
|
0.49
|
0
|
Arg
|
0.01
|
202.00
|
14.30
|
256.00
|
93.80
|
2.53
|
1
|
5
|
67
|
0.69
|
0.85
|
-1.76
|
-4.50
|
4.20
|
11.49
|
2.45
|
11.28
|
1484.28
|
0.529
|
1.038
|
0.96
|
0.99
|
0.88
|
1
|
26.66
|
-2.56
|
52.00
|
4.6
|
10.76
|
2.17
|
1.47
|
0.92
|
0.55
|
0
|
Asn
|
-
|
135.20
|
12.80
|
165.50
|
62.20
|
2.12
|
12
|
22
|
49
|
0.89
|
0.09
|
-0.64
|
-3.50
|
7.00
|
11.00
|
2.27
|
12.24
|
513.46
|
0.463
|
1.117
|
0.9
|
0.76
|
1.28
|
0
|
13.28
|
-1.24
|
3.38
|
5.4
|
5.41
|
2.02
|
1.56
|
1.18
|
0.38
|
0
|
Asp
|
0.065
|
124.50
|
11.70
|
158.70
|
60.90
|
2.60
|
15
|
19
|
50
|
0.61
|
0.66
|
-0.72
|
-3.50
|
10.00
|
10.97
|
2.29
|
10.98
|
34.96
|
0.511
|
1.033
|
1.04
|
0.72
|
1.41
|
-1
|
12.00
|
-1.08
|
40.70
|
2.8
|
2.77
|
2.00
|
1.51
|
1.16
|
0.35
|
0
|
Cys
|
-
|
118.00
|
13.50
|
146.10
|
13.90
|
3.03
|
50
|
74
|
5
|
0.36
|
1.52
|
0.04
|
2.50
|
1.40
|
14.93
|
3.36
|
14.49
|
2412.56
|
0.346
|
0.960
|
1.11
|
0.74
|
0.8
|
0
|
35.77
|
-0.11
|
1.48
|
2.8
|
5.05
|
1.65
|
2.04
|
1.37
|
0.67
|
0
|
Gln
|
-
|
161.10
|
14.50
|
193.20
|
74.00
|
2.70
|
7
|
16
|
56
|
0.97
|
0.00
|
-0.69
|
-3.50
|
6.00
|
11.28
|
2.45
|
11.30
|
1087.83
|
0.493
|
1.165
|
1.27
|
0.8
|
0.97
|
0
|
17.56
|
-1.19
|
3.53
|
9.0
|
5.65
|
2.17
|
1.52
|
1.12
|
0.40
|
0
|
Glu
|
0.025
|
155.10
|
13.60
|
186.20
|
72.30
|
3.30
|
18
|
16
|
55
|
0.51
|
0.67
|
-0.62
|
-3.50
|
7.80
|
11.19
|
2.31
|
12.55
|
1158.66
|
0.497
|
1.094
|
1.44
|
0.75
|
1
|
-1
|
17.26
|
-1.43
|
49.91
|
3.2
|
3.22
|
2.19
|
1.53
|
1.16
|
0.37
|
0
|
Gly
|
0.04
|
66.40
|
3.40
|
88.10
|
25.20
|
3.13
|
36
|
52
|
10
|
0.81
|
0.10
|
0.16
|
-0.40
|
5.70
|
12.01
|
2.55
|
15.36
|
33.18
|
0.544
|
1.142
|
0.56
|
0.92
|
1.64
|
0
|
0.00
|
0.03
|
0.00
|
5.6
|
5.97
|
2.35
|
1.89
|
1.36
|
0.53
|
0
|
His
|
0.88
|
167.30
|
13.70
|
202.50
|
46.70
|
3.57
|
17
|
34
|
34
|
0.69
|
0.80
|
-0.40
|
-3.20
|
2.10
|
12.84
|
2.57
|
11.59
|
1637.13
|
0.323
|
0.982
|
1.22
|
1.08
|
0.69
|
0.5
|
21.81
|
-1.06
|
51.60
|
8.2
|
7.59
|
1.82
|
1.76
|
1.22
|
0.54
|
0
|
Ile
|
0.045
|
168.80
|
21.40
|
181.00
|
23.00
|
7.69
|
60
|
66
|
13
|
-1.45
|
3.15
|
0.73
|
4.50
|
-8.00
|
14.77
|
3.08
|
14.63
|
5979.37
|
0.462
|
1.002
|
0.97
|
1.45
|
0.51
|
0
|
19.06
|
0.04
|
0.15
|
17.1
|
6.02
|
2.36
|
1.95
|
1.19
|
0.76
|
0
|
Leu
|
0.04
|
167.90
|
21.40
|
193.10
|
29.00
|
5.88
|
45
|
60
|
16
|
-1.65
|
2.17
|
0.53
|
3.80
|
-9.20
|
14.10
|
2.98
|
14.01
|
4985.73
|
0.365
|
0.967
|
1.3
|
1.02
|
0.59
|
0
|
18.78
|
0.12
|
0.45
|
17.6
|
5.98
|
2.36
|
1.97
|
1.32
|
0.65
|
0
|
Lys
|
-
|
171.30
|
15.70
|
225.80
|
110.30
|
1.79
|
3
|
3
|
85
|
0.46
|
1.64
|
-1.10
|
-3.90
|
5.70
|
10.80
|
2.12
|
11.96
|
699.69
|
0.466
|
1.093
|
1.23
|
0.77
|
0.96
|
1
|
21.29
|
-2.26
|
49.50
|
3.5
|
9.74
|
2.18
|
1.37
|
1.07
|
0.30
|
0
|
Met
|
1.57
|
170.80
|
16.30
|
203.40
|
30.50
|
5.21
|
40
|
52
|
20
|
-0.66
|
1.67
|
0.26
|
1.90
|
-4.20
|
14.33
|
3.18
|
13.40
|
4491.66
|
0.295
|
0.947
|
1.47
|
0.97
|
0.39
|
0
|
21.64
|
-0.33
|
1.43
|
14.9
|
5.74
|
2.28
|
1.95
|
1.30
|
0.65
|
0
|
Phe
|
2.32
|
203.40
|
19.80
|
222.80
|
28.70
|
6.60
|
50
|
58
|
10
|
-1.52
|
2.87
|
0.61
|
2.80
|
-9.20
|
13.43
|
3.02
|
14.08
|
5203.86
|
0.314
|
0.930
|
1.07
|
1.32
|
0.58
|
0
|
29.40
|
-0.05
|
0.35
|
18.8
|
5.48
|
1.83
|
1.86
|
1.14
|
0.72
|
1
|
Pro
|
0.02
|
129.30
|
17.40
|
146.80
|
53.70
|
2.12
|
18
|
25
|
45
|
-0.17
|
2.77
|
-0.07
|
-1.60
|
2.10
|
11.19
|
2.46
|
11.51
|
431.96
|
0.509
|
1.055
|
0.52
|
0.64
|
1.91
|
0
|
10.93
|
-0.31
|
1.58
|
14.8
|
6.30
|
1.97
|
1.70
|
1.24
|
0.46
|
0
|
Ser
|
0.09
|
99.10
|
9.50
|
129.80
|
44.20
|
2.43
|
22
|
35
|
32
|
0.42
|
0.07
|
-0.26
|
-0.80
|
6.50
|
11.26
|
2.60
|
11.26
|
174.76
|
0.507
|
1.169
|
0.82
|
0.95
|
1.33
|
0
|
6.35
|
-0.40
|
1.67
|
6.9
|
5.68
|
2.19
|
1.75
|
1.30
|
0.45
|
0
|
Thr
|
0.01
|
122.10
|
15.80
|
152.50
|
46.00
|
2.60
|
23
|
30
|
32
|
0.29
|
0.07
|
-0.18
|
-0.70
|
5.20
|
11.65
|
2.55
|
13.00
|
601.88
|
0.444
|
1.073
|
0.82
|
1.21
|
1.03
|
0
|
11.01
|
-0.53
|
1.66
|
9.5
|
5.66
|
2.10
|
1.77
|
1.25
|
0.52
|
0
|
Trp
|
5.46
|
237.60
|
21.60
|
266.30
|
41.70
|
6.25
|
27
|
49
|
17
|
-1.2
|
3.77
|
0.37
|
-0.90
|
-10.00
|
12.95
|
2.85
|
12.06
|
6374.07
|
0.305
|
0.925
|
0.99
|
1.14
|
0.75
|
0
|
42.53
|
-0.31
|
2.10
|
17.1
|
5.89
|
2.38
|
1.86
|
1.03
|
0.83
|
1
|
Tyr
|
6.19
|
203.60
|
18.00
|
236.80
|
59.10
|
3.03
|
15
|
24
|
41
|
-1.43
|
2.67
|
0.02
|
-1.30
|
-1.90
|
13.29
|
2.79
|
12.64
|
4291.10
|
0.420
|
0.961
|
0.72
|
1.25
|
1.05
|
0
|
31.53
|
-0.84
|
1.61
|
15.0
|
5.66
|
2.20
|
1.68
|
1.03
|
0.65
|
1
|
Val
|
0.075
|
141.70
|
21.60
|
164.50
|
23.50
|
7.14
|
54
|
64
|
14
|
-0.75
|
1.87
|
0.54
|
4.20
|
-3.70
|
15.07
|
3.21
|
12.88
|
4474.42
|
0.386
|
0.982
|
0.91
|
1.49
|
0.47
|
0
|
13.92
|
-0.13
|
0.13
|
14.3
|
5.96
|
2.32
|
1.98
|
1.25
|
0.73
|
0
|
This data file in DIF format (qsfrdhla.dif) and in MS-Excel
format (qsfrdhla.xls).
Last updated: March 15, 2001 |
