TABLE
0,1
"EXCEL"
VECTORS
0,298
""
TUPLES
0,19
""
DATA
0,0
""
-1,0
BOT
1,0
"Name Data Set: The QSFR and QSSR of mutant proteins data set;"
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"What: 4 biological responses, 9 properties, 20 compounds (amino acids);"
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Source: Damborsky J., Laboratory of Biomolecular Structure and Dynamics, Masaryk University, Kotlarska 2, 611 37 Brno, Czech Republic, jiri@chemi.muni.cz;"
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Original Reference: Damborsky, J., Quantitative structure-function and structure-stability relationships of purposely modified proteins, Protein Engineering 11: 21-30, 1998;"
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Remarks: only these variables which were fixed in the final models are provided"
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Data:"
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""
1,0
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1,0
""
1,0
""
1,0
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1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
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""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
""
1,0
"Dhla-172"
1,0
"Subt-222"
1,0
"Lyso-157"
1,0
"Synt-49"
1,0
"A362"
1,0
"C144"
1,0
"H132"
1,0
"H311"
1,0
"H377"
1,0
"P159"
1,0
"P214"
1,0
"P383"
1,0
"P399"
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Ala"
0,0.10
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0,53.0
V
0,1.4
V
0,8.5
V
0,-0.062
V
0,0.892
V
0,0.87
V
0,0.934
V
0,0.507
V
0,0.025
V
0,-1.404
V
0,0.89
V
0,11.50
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Arg"
0,0.01
V
0,0.5
V
0,1.3
V
1,0
"."
0,-0.167
V
0,0.901
V
0,0.85
V
0,0.962
V
0,0.459
V
0,0.200
V
0,-0.921
V
0,0.88
V
0,14.28
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Asn"
0,0.07
V
0,15.0
V
0,0.5
V
0,8.2
V
0,0.166
V
0,0.930
V
0,0.09
V
0,0.986
V
0,0.287
V
0,0.100
V
0,-1.178
V
0,0.89
V
0,12.82
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Asp"
1,0
"."
0,4.1
V
0,1.1
V
0,8.5
V
0,-0.079
V
0,0.932
V
0,0.66
V
0,0.994
V
0,0.223
V
0,0.100
V
0,-1.162
V
0,0.87
V
0,11.68
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Cys"
1,0
"."
0,138.0
V
0,1.3
V
0,11.0
V
0,0.380
V
0,0.930
V
0,1.52
V
0,0.900
V
0,0.590
V
0,0.100
V
0,-1.400
V
0,0.85
V
0,13.50
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Gln"
1,0
"."
0,7.2
V
1,0
"."
0,6.3
V
0,-0.025
V
0,0.885
V
0,0.00
V
0,1.047
V
0,0.383
V
0,0.100
V
0,-1.116
V
0,0.82
V
0,14.45
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Glu"
0,0.03
V
0,3.6
V
0,1.5
V
0,8.8
V
0,-0.184
V
0,0.933
V
0,0.67
V
0,0.986
V
0,0.445
V
0,0.100
V
0,-1.163
V
0,0.84
V
0,13.57
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Gly"
0,0.04
V
0,30.0
V
0,1.1
V
0,7.1
V
0,-0.017
V
0,0.923
V
0,0.10
V
0,1.015
V
0,0.390
V
0,0.025
V
0,-1.364
V
0,0.92
V
0,3.40
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"His"
0,0.88
V
0,4.0
V
0,2.1
V
0,10.1
V
0,0.056
V
0,0.894
V
0,0.87
V
0,0.882
V
0,0.310
V
0,0.100
V
0,-1.215
V
0,0.83
V
0,13.69
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Ile"
0,0.05
V
0,2.2
V
0,2.9
V
0,16.8
V
0,-0.309
V
0,0.872
V
0,3.15
V
0,0.766
V
0,0.111
V
0,0.190
V
0,-1.189
V
0,0.76
V
0,21.40
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Leu"
0,0.04
V
0,12.0
V
0,1.3
V
0,15.0
V
0,-0.264
V
0,0.921
V
0,2.17
V
0,0.825
V
0,0.619
V
0,0.190
V
0,-1.315
V
0,0.73
V
0,21.40
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Lys"
1,0
"."
0,0.3
V
1,0
"."
0,7.9
V
0,-0.371
V
0,1.057
V
0,1.64
V
0,1.040
V
0,0.559
V
0,0.200
V
0,-1.074
V
0,0.97
V
0,15.71
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Met"
0,1.57
V
0,100.0
V
1,0
"."
0,13.3
V
0,0.077
V
0,0.804
V
0,1.67
V
0,0.804
V
0,0.431
V
0,0.190
V
0,-1.303
V
0,0.74
V
0,16.25
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Phe"
0,2.32
V
0,4.9
V
0,2.4
V
0,11.2
V
0,0.074
V
0,0.914
V
0,2.87
V
0,0.773
V
0,0.077
V
0,0.390
V
0,-1.135
V
0,0.52
V
0,19.80
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Pro"
0,0.02
V
0,13.0
V
1,0
"."
0,8.2
V
0,-0.036
V
0,0.932
V
0,2.77
V
0,1.047
V
0,0.739
V
0,0.170
V
0,-1.236
V
0,0.82
V
0,17.43
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Ser"
0,0.09
V
0,35.0
V
0,0.7
V
0,7.4
V
0,0.470
V
0,0.923
V
0,0.07
V
0,1.056
V
0,0.689
V
0,0.025
V
0,-1.297
V
0,0.96
V
0,9.47
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Thr"
0,0.01
V
0,28.0
V
0,0.0
V
0,8.8
V
0,0.348
V
0,0.934
V
0,0.07
V
0,1.008
V
0,0.785
V
0,0.100
V
0,-1.252
V
0,0.92
V
0,15.77
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Trp"
0,5.46
V
0,4.8
V
1,0
"."
0,9.9
V
0,0.050
V
0,0.803
V
0,3.77
V
0,0.848
V
0,0.160
V
0,0.560
V
0,-1.030
V
0,0.20
V
0,21.67
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Tyr"
0,6.19
V
0,4.0
V
1,0
"."
0,8.8
V
0,0.220
V
0,0.837
V
0,2.67
V
0,0.931
V
0,0.060
V
0,0.390
V
0,-1.030
V
0,0.49
V
0,18.03
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
"Val"
0,0.08
V
0,9.3
V
0,1.6
V
0,12.0
V
0,-0.212
V
0,0.913
V
0,1.87
V
0,0.825
V
0,0.356
V
0,0.150
V
0,-1.254
V
0,0.85
V
0,21.57
V
1,0
""
1,0
""
1,0
""
1,0
""
1,0
""
-1,0
BOT
1,0
""
1,0
""
1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
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1,0
""
-1,0
BOT
1,0
""
1,0
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1,0
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BOT
1,0
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BOT
1,0
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BOT
1,0
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BOT
1,0
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BOT
1,0
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1,0
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BOT
1,0
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1,0
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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BOT
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1,0
""
-1,0
EOD