Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQEKERILKLVEEGKLTAQEALTL-IEKLDSDYKEKEEKITALSVHVHDEEEPFTTAKKESGKPSLGAKLFDWIDSAVKKVKEVDLDLNFGHAYDVQHIFQFKDTDFSSVELQIANGSVNIVPWEDDDIRAECQAKVYRADSQDAARHAFLQHIE-CEIKGNKFFIRTEKKTMKTNVTLYIPQKE-YDKIRVKLFNGPVRGEHLHVKEFSAKTTNGVLS-FSYLTAEKAIAETANGQIKLASHSCGTIEAETINGLI---DLRGKSESIDVQSFNGNIAINVTESDCRSIYAKTTTGNVELAI-PDDLAVKAELKSNLGTLSHELMD-------VEMLKEKNDTIQKEMMFTSNQAHDQNITVFSESLTGAIKLKYSQR------ 4PE6 Chain:A ((18-339)) ------KPFIALSNG-FIGNGWRQTMIAKFEEAAKQAQADGLIGKYKVVN------------------APGNNSATEQVAQIKSLLL-----QKPDALLINPASPTALQPVIQQACDAGVKVVVF-DSAIDAPC-AYILQNSFVDWATYAAKPVLESIGGKGNVIVVRG--------VVGSQPEAEMYETTKKILAEYP-----------QVKTVATVTGMCDGATAQKAVLGVLPSV-------------STVDAVIGCGDGYGVAQAFATAGKPIPAVTFETNGRALSYWKDNKIDNGSVAVMSDPAQSVAALWAALDLLEGRDLPKQMTFPIVLIEEKDRDTWASVLKPDEYAAWPWTRELFRQQVEAIKTGGEPVQPPIPST

General information: TITO was launched using: RESULT: Template: 4PE6.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 : 1843 31861 17.29 105.85 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 17.29 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.175

(partial model without unconserved sides chains): PDB file : Tito_4PE6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PE6-query.scw PDB file : Tito_Scwrl_4PE6.pdb: