Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGSASSSSPPSLSQPINDTTPRRLLTLCSVGVARPFQRKRWSPSLLRLSPWTCVKLGTF-----RDLCEARTIQFIASNTSIPVPKVYCSFQRRDKRDGTTTTYIVMQRIRGQTLAS-AWPTLSASSRNKILLQLRHFVQVMRNLPWPKREYKISNVDGGSLWDCRLVSGVDRFGPFKDTLAFHLFLRN----GLEKAP-P-ELPEVDEMIKLQARDWGPVVFTHGDLSSLNILVRG----DRIVGIVDWETAGWFPPYWEYSTACQVNPRNTFWAEWIDHFLEPWPDALEMERVRQRWWGVI 3TDW Chain:A ((20-239)) ------------------------------SIQSVESLG-EGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKR-----SDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVET----AISAGVP--VTNLKN----------KILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCG---------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 762 -28410 -37.28 -139.26 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -37.28 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: