Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKDLIGKASIHKNKTIAVAHAEDEEVIRAVKLAAEHLSARFLLTGDSKKLNELTSSMQGHQ--VEIVHAN-TP--------------------------EESAKLAVRAVHHKTADVLMKGNVPTS-VLLKAVLNRQEGLR-SASVLSHVAVFDIPDFDRLMFVTDSAMNIAPSLEELRQILQNAVHVAHAVGNNMPKAAALAAVETVNPK---MEATVNAAALAQMYKRGQIKGCIVDGPLALDNAVSQIAAAQKKISGDVAGNADILLVPTIEAGNILYKSLIYFAKA-SVAAVITGAKAPIALTSRADSAENKLYSIALAICASEEYTH 4E4R Chain:A ((7-330)) -LLNVLKDKL-SGKNVKIVLPEGEDERVLTAATQLQATDYVTPIVLGDETKVQSLAQKLNLDISNIELINPATSELKAELVQSFVERRKGKTTEEQAQELLNNVNYFGTMLVYAGKADGLVSGAAHSTGDTVRPALQI-IKTKPGVSRTSGIFFMIKG--DEQYIFGDCAINPELDSQGLAEIAVESAKSALSFGM-DPKVAMLSFSTKGSAKSDDVTKVQEAVKLAQQKAEEEKLEAIIDGEFQFDAAIVPGVAEKKAPGAKLQGDANVFVFPSLEAGNIGYKIAQRLGGYDAVGPVLQGLNSPVNDLSRGCSIEDVYNLSFITAAQAL----

General information: TITO was launched using: RESULT: Template: 4E4R.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 : 1460 -16901 -11.58 -58.48 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -11.58 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_4E4R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E4R-query.scw PDB file : Tito_Scwrl_4E4R.pdb: