Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTHIAWASACLLLVMLTGFFTIGQ-----QTYKIEKLKDKNEVLSEKIKE-----LNHIESTSSASENKAFFEAFFNYSDIDIRYETVKKHTTGKGFDYAFPSRSDQKHTVSVQSELLSL-ESYSKPLDESHELFLNIVEVATTANSVTTNQVLIVQTTMKKEKDGWLVDNV--------QVKGNG------------------------------ 3KYS Chain:A ((3-218)) -----SIGTTKLRLVEFSAFLEQQRDPDSYNKHLFVHIGHLESVDIRQIYDKFPEKKGGLKELFGKGPQNAFFLVKF-WADLNCNIQD---AGAFYGVTSQYESS--ENMTVTCSTKVCSFGKQVVEKVETEYARFENGRFVYRINRSPMCEYMINFIHKLKHLPEKYMMNSVLENFTILLVVTNRDTQETLLCMACVFEVSNSEHGAQHHIYRLVK

General information: TITO was launched using: RESULT: Template: 3KYS.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 : 584 -41482 -71.03 -264.21 target 2D structure prediction score : 0.18 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -71.03 2D Compatibility (Sec. Struct. Predict.) : 0.18 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.044

(partial model without unconserved sides chains): PDB file : Tito_3KYS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KYS-query.scw PDB file : Tito_Scwrl_3KYS.pdb: