Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTIDITNSLEKDKLVNTEQSQLTDTQLHHGTSYVSHFEPHASKKPNSTEIKISAQDAHVYYGDFEAIKGIDLDIYQNEVIAFIGPSGCGKSTFLRTLNRMNDTIDGCRVTGKITLDNKNIYDPNLDVVLLRAQVGMVFQKPNPFPK-SIFDNVAYGP-KLHGLARDKYDLEEIVENSLRKAGLWEEVKDRLNQPGTGLSGGQQQRLCIARTIAVSPEVILMDEPCSALDPIATAKVEELISELSDQ-YTIVIVTHSMQQAARVSDRTAYFHLGDLIEVNSTEKVFTQPDHQLTEAYITGRFG 4YMV Chain:J ((2-237)) ----------------------------------------------------IFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEP-----TKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKM--NKKEAEELAVDLLAKVGLL----DKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLS----

General information: TITO was launched using: RESULT: Template: 4YMV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1223 -40804 -33.36 -175.12 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain J : 0.78 3D Compatibility (PKB) : -33.36 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4YMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMV-query.scw PDB file : Tito_Scwrl_4YMV.pdb: