Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQEKERILKLVEEGKLTAQEALTLIEKLDSDYKEKEEKITALSVHVHDEEEPFTTAKKESGKPSLGAKLFDWIDSAVKKVKEVDLDLNFGHAYDVQHIFQFKDTDFSSVELQIANGSVNIVPWED-DDIRAECQAKVYRADSQDAARHAFLQHIECEIKGNKFFIRTEKKT--------MKTNVTLYIPQKEYDKIRVKLFNGPVRGE-HLHVKEFSAK-TTNGVLSFSYL-TAEKAIAE-TANGQIKLASHSCGTIEAE-TINGLIDLRGKSESIDVQ-SFNGNIAINVTESDCRSIYAK-TTTGNVELAIPDDLAVKAELKSNLGTLSHELMDVEMLKEKNDTIQKEMMFTSNQAHDQNITVFSESLTGAIKLKYSQR 3LYC Chain:A ((29-249)) --------------------------------------------------------------------------------------------GNITTENIPV--SEYDCLELEGGGMVVNYTQSDAPEGLEIKTDR-------------NIFEKYEFNVENHKLKIRPKKEFRKHTNFRPTEFMVTANSRN--LKKLAA-AGSTHVNINSPLQAEEFEAGLAGSGIIQFHDTASFTNLKIEIAGSGDFVGHKVYCEELNGDMAGSNTIVLGGTVGIAEFSIAGSGTVRAFDCT--MDELECKIAGSGDIEAFVVNK--IKAEI-AGSGSVKYKGDP---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LYC.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 : 1259 37682 29.93 183.81 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 29.93 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.343

(partial model without unconserved sides chains): PDB file : Tito_3LYC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LYC-query.scw PDB file : Tito_Scwrl_3LYC.pdb: