Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMIKDIRFWVCVIGIVILGFLSGLLSGNPGKYYYSLQLPPFAPPSWIFGPMWTLLYILMGISLYLLLNHNNKKQRNNLVGLFVIQFIFNFIWSALFFNLRNIFIAAIDITLLVIFLSVLMYQLWLHHRLAMWLMIPYYLWVLFATLLNYSIYFLN 4RYN Chain:A ((33-181)) ------KSSIIVFFLTYGLFYVSSVLFPIDRTWYDALEKPSWTPPGMTIGMIWAVLFGLIALSVAIIYNNYGF-KPKTFWFLFLLNYIFNQAFSYFQFSQKNLFLATVDCLLVAITTLLLIMFSSNLSKVSAWLLIPYFLWSAFATYLSWTIYSIN

General information: TITO was launched using: RESULT: Template: 4RYN.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 : 578 -117609 -203.48 -789.32 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -203.48 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_4RYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RYN-query.scw PDB file : Tito_Scwrl_4RYN.pdb: