Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTALITGASGGIGKSISETLAARGYNLLLHYNTNQNAAAELAEKLSQMFGVNAEILQADLSAQDGADKLTSSIVQ---PIDAIVLNSGRSHFGLITDVDNATVQEMVQLHVASPYMLTRNLLPGMIRNKSGAIVAVSSIWGETGASCEVLYSMAKGAQHSFVKGLAKELAPSGIRVNAVAPGAVDTNMMNQFTPAEKEEIADEIPIGRLARPQEIADATAFLLSEKASYITGQILSVNGGWHC 3SJ7 Chain:B ((9-251)) MTKSALVTGASRGIGRSIALQLAEEGYNVAVNYAGSKEKAEAVVEEI-KAKGVDSFAIQANVADADEVKAMIKEVVSQFGSLDVLVNNAGITRDNLLMRMKEQEWDDVIDTNLKGVFNCIQKATPQMLRQRSGAIINLSSVVGAVGNPGQANYVATKAGVIGLTKSAARELASRGITVNAVAPGFIVSD-TDALSDELKEQMLTQIPLARFGQDTDIANTVAFLASDKAKYITGQTIHVNGGMY-

General information: TITO was launched using: RESULT: Template: 3SJ7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1333 -128025 -96.04 -535.67 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -96.04 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.635

(partial model without unconserved sides chains): PDB file : Tito_3SJ7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SJ7-query.scw PDB file : Tito_Scwrl_3SJ7.pdb: