Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQEKERILKLVEEGKLTAQEALTLIEKLDSDYKEKEEKITALSVHVHDEEEPFTTAKKESGKPSLGAKLFDWIDSAVKKVKEVDLDLNFGHAYDVQHIFQFKDTDFSSVELQIANGSVNIVPWEDDDIRAECQAKVYRADSQDAARHAFLQHIECEIKGNKFFIRTEKKTM--KTNV-TLYIPQKEYDKIRVKLFNGPVRGEHLHVKEFSAKTTNGVLSFSYLTAEKAIAETANGQIKLASHSCGTIEAET-INGLIDLRGKSESIDVQSFNGNIAINVTESDCRSIYAK-TTTGNVELAIPDDLAVKAELKSNLGTLSHELMDVEMLKEKNDTIQKEMMFTSNQAHDQNITVFSESLTGAIKLKYSQR 3PET Chain:A ((4-221)) -----------------------------------------------------------------------------------------GIQPSKKLITRDYKVKEFNKIDAG-TVGNIYYTQSTDGKTDLQIYGP-----------DNIVALIQVAVKDNTLFLSIDKSKKVRNFKKMKITITSPTLNGISFKGVGDVHIENGLTTDNLDIESKG------------------VGNVDIQSLTCQKLNVQSMGVGDVKLEGTAQIAALHSKGVG-NIEAGNLRANAVEASSQGVGDITCNATESIDAAVRGVGSI-KYKGSPTIKSLSKKGVGTIKNI-------------------------------

General information: TITO was launched using: RESULT: Template: 3PET.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 : 1327 59496 44.83 279.32 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 44.83 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_3PET.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PET-query.scw PDB file : Tito_Scwrl_3PET.pdb: