Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNRPIGFLDSGVGGLTVVRELMRQLPHEEIVYIGDSARAPYGPRPAEQIREYTWQLVNFLLTKDVKMIVIACNTATAVVWEEIKAQLDIPVLGVILPGASAAIKSSQGGKIGVIGTPMTVQSDIYRQKIHDLDPDLQVESLACPKFAPLVESGALSTSVTKKVVYETLRPLVG-KVDSLILGCTHYPLLRPIIQNVMGPKVQLIDSGAECVRDISVLLNYFEINRGRDAGPLHHRFYTTASSQSFAQIGEEWLEKE-IHVEHVEL 3IST Chain:A ((3-265)) AMKQAIGFIDSGVGGLTVVREVLKQLPHEQVYYLGDTARCPYGPRDKEEVAKFTWEMTNFLVDRGIKMLVIACNTATAAALYDIREKLDIPVIGVIQPGSRAALKATRNNKIGVLGTLGTVESMAYPTALKGLNRRVEVDSLACPKFVSVVESGEYKSAIAKKVVAESLLPLKSTKIDTVILGCTHYPLLKPIIENFMGDGVAVINSGEETASEVSALLDYHNLL-DATDEEIEHRFFTTGSTQIFKDIAKDWLNMPDMTVEHI--

General information: TITO was launched using: RESULT: Template: 3IST.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 : 1577 -154373 -97.89 -591.47 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -97.89 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_3IST.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IST-query.scw PDB file : Tito_Scwrl_3IST.pdb: