T0237 (215-339)

DUE 16 Aug 2004


Thu Aug 12 15:05:11 PDT 2004 Martina Koeva

try1 looks pretty good to me in terms of the secondary structure that is 
being formed. The disulfide bonds have been formed. The hairpin 302-306
into 311-315 has been formed. The large helix ~254-272 has been oriented
inside out, where the polar side is facing the sheet. 

For try2 I have reduced the strand and helix constraints to only the ones
from t04.dssp-ehl2.constraints file. I have included the sheet constraints
formed in try1-opt2 from the try1-op2.sheets file:

# try1-opt2.sheets
SheetConstraint W218 V219       C223 N222       hbond V219
SheetConstraint W302 S307       F315 K310       hbond N304

I have also increased the break weight and the known_ssbond weight.