Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQEKERILKLVEEGKLTAQEALTLIEKLDSDYKEKEEKITALSVHVHDEEEPFTTAKKESGKPSLGAKLFDWIDSAVKKVKEVDLDLNFGHAYDVQHIFQFKDTDFSSVELQIANGSVNIVPWEDDDIRAECQAKVYRADSQDAARHAFLQHIECEIKGNKFFIRTEKK-----TMKTNVTLYIPQKEYDKIRVKLFNGPVRGE-HLHVKEFSAK-TTNGVLSFSYLTAEKAIAET-ANGQIKLASHSCGTIEAETINGLIDLRGKSESIDVQS-FNGNIAINVTESDCRSIYAK-TTTGNVELAIPDDLAVKAELKSNLGTLSHELMDVEMLKEKNDTIQKEMMFTSNQAHDQNITVFSESLTGAIKLKYSQR 3PET Chain:A ((9-202)) --------------------------------------------------------------------------------------------KKLITRDYK--VKEFNKIDAGT-VGNIYYTQSTDGKTDLQIYGPD-----------NIVALIQVAVKDNTLFLSIDKSKKVRNFKKMKITITSPT--LNGISF-KGVGDVHIENGLTTDNLDIESKGVGNVDIQSLTCQKLNVQSMGVGDVKLEG-------------------TAQIAALHSKGVGNIEAGNLR--ANAVEASSQGVGDITCNATESI--DAAV-RGVGSIKYK------------------------------------------------

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 : 1095 -9186 -8.39 -49.92 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -8.39 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.430

(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: