problems\FOLDING1 FOLDING1 4 Unfolding and refolding of ribonuclease T1 Demo Schittkowski Experimental Null Null t NPAR = 007 0 007 NRES = 000 NEQU = 000 NODE = 0004 NCONC = 000 NTIME = 0066 0 NMEAS = 001 NPLOT = 0050 NOUT = 0 METHOD= 01 000 2 01 0 0 OPTP1 = 00100 000 OPTP2 = 00030 OPTP3 = 02 OPTE1 = 1.0000E-09 OPTE2 = 1.0000E-02 OPTE3 = 1.0000E+02 ODEP1 = 04 ODEP2 = 1 0 0 0 0 ODEP3 = 05 ODEP4 = 00004 ODEE1 = 1.0000E-06 ODEE2 = 1.0000E-06 ODEE3 = 1.0000E-03 k12 1.000000E-03 1.000000E-02 3.000000E-02 k21 1.000000E-02 1.000000E-02 1.000000E-01 k23 0.000000E+00 1.000000E+00 1.000000E+06 k32 5.000000E-01 1.000000E+00 5.000000E+00 k43 3.000000E+01 5.000000E+01 1.000000E+05 c1 5.000000E-01 1.000000E+00 2.000000E+00 c2 1.000000E-02 5.000000E-01 1.000000E+00 SCALE = 00 2.30000E-02 2.45000000E-01 1.00E+00 2.60000E-02 2.65000000E-01 1.00E+00 3.20000E-02 2.78000000E-01 1.00E+00 3.50000E-02 2.95000000E-01 1.00E+00 4.00000E-02 3.00000000E-01 1.00E+00 4.50000E-02 3.48000000E-01 1.00E+00 5.00000E-02 3.60000000E-01 1.00E+00 5.50000E-02 3.69000000E-01 1.00E+00 6.00000E-02 3.73000000E-01 1.00E+00 6.50000E-02 4.26000000E-01 1.00E+00 7.00000E-02 4.29000000E-01 1.00E+00 7.50000E-02 4.50000000E-01 1.00E+00 8.00000E-02 4.65000000E-01 1.00E+00 9.00000E-02 5.10000000E-01 1.00E+00 1.00000E-01 5.35000000E-01 1.00E+00 1.10000E-01 5.69000000E-01 1.00E+00 1.20000E-01 5.55000000E-01 1.00E+00 1.30000E-01 5.75000000E-01 1.00E+00 1.40000E-01 5.82000000E-01 1.00E+00 1.60000E-01 6.20000000E-01 1.00E+00 1.80000E-01 6.58500000E-01 1.00E+00 2.00000E-01 6.96000000E-01 1.00E+00 2.25000E-01 6.99000000E-01 1.00E+00 2.50000E-01 7.22000000E-01 1.00E+00 2.75000E-01 7.44000000E-01 1.00E+00 3.00000E-01 7.48000000E-01 1.00E+00 3.38000E-01 7.49000000E-01 1.00E+00 3.50000E-01 7.50000000E-01 1.00E+00 3.75000E-01 7.50000000E-01 1.00E+00 4.00000E-01 7.42000000E-01 1.00E+00 4.50000E-01 7.39000000E-01 1.00E+00 5.00000E-01 6.99000000E-01 1.00E+00 6.00000E-01 6.87000000E-01 1.00E+00 7.00000E-01 7.02000000E-01 1.00E+00 8.00000E-01 6.45000000E-01 1.00E+00 9.00000E-01 6.34000000E-01 1.00E+00 1.00000E+00 6.40000000E-01 1.00E+00 1.20000E+00 6.03000000E-01 1.00E+00 1.40000E+00 5.81000000E-01 1.00E+00 1.60000E+00 5.68000000E-01 1.00E+00 1.80000E+00 5.23000000E-01 1.00E+00 2.00000E+00 4.99000000E-01 1.00E+00 2.25000E+00 4.98000000E-01 1.00E+00 2.50000E+00 5.03000000E-01 1.00E+00 3.00000E+00 4.83000000E-01 1.00E+00 3.50000E+00 4.42000000E-01 1.00E+00 4.50000E+00 4.27000000E-01 1.00E+00 5.00000E+00 4.27000000E-01 1.00E+00 6.00000E+00 3.94000000E-01 1.00E+00 7.00000E+00 3.76000000E-01 1.00E+00 8.00000E+00 3.69000000E-01 1.00E+00 9.00000E+00 3.30000000E-01 1.00E+00 1.00000E+01 3.29000000E-01 1.00E+00 1.20000E+01 2.71000000E-01 1.00E+00 1.40000E+01 2.41000000E-01 1.00E+00 1.70000E+01 2.30000000E-01 1.00E+00 2.00000E+01 1.72000000E-01 1.00E+00 2.40000E+01 1.34000000E-01 1.00E+00 3.00000E+01 1.03000000E-01 1.00E+00 4.00000E+01 9.00000000E-02 1.00E+00 6.00000E+01 4.90000000E-02 1.00E+00 7.50000E+01 4.50000000E-02 1.00E+00 9.00000E+01 4.00000000E-02 1.00E+00 1.20000E+02 3.40000000E-02 1.00E+00 1.50000E+02 3.00000000E-02 1.00E+00 1.80000E+02 3.40000000E-02 1.00E+00 NLPIP = 0 NLPMI = 0 NLPAC = 0.0 NDISCO= 000 c1*Ucc(t)+c2*Uct(t) "Odefey C., Mayr L.M., Schmid F.X. (1995): Non-prolyl cis-trans peptide bond isomerization as a rate-determining step in protein unfolding and refolding, Journal on Molecular Biology, Vol. 245, 69-78 Mayr L.M., Odefey C., Schutkowski M., Schmid F.X. (1996): Kinetic analysis of the unfolding and refolding of ribonuclease T1 by a stopped-flow double-mixing technique, Biochemistry, Vol. 35, 5550-5561 Starting values: 1.00E-02 1.00E-02 1.00E+00 1.00E+00 5.00E+01 1.00E+00 5.00E-01"