Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQDFREFLAALEKEGQLLTVNEEVKPEPDLGASARAASNLGDKSPALLFNNIYGYHN--ARIAMNVIGS-------WPNHAMMLGMPKDTPVKEQF-FEFAKRYDQFPMPVKREETAPFHENEIT-EDINLFDILPLFRINQGDGGYYL-DKACVISRDLED-PDNFGKQNVGIYRMQVKGKDRLGIQPVPQHDIAIHLRQAEERGINLPVTIALGCEPVITTAASTPLLYDQSEYEMAGAIQGEPYRIVKSKLSDLDVPWGAEVVLEGEIIAGEREYEGPFGEFTGHYSGGR-SMPIIKIKRVYHRNNPIFEHLYLGMPWTECDYMIGINTCVPLYQQLK-EAYPNEIVAVNA---MYTHGLIAIVSTK--TR------YGGFAKAVGMRALTTPHGLGYCKMVIVVDEDVDPFNLPQVMWALSTKMHPKHDAVIIPDLSVLPLDPGSNP----SGITHKMILDATTPVAPETRGHYSQP-----LDSPL---T--TKEWEQKLMDLMNK 4IP2 Chain:A ((26-516)) -SALDFRHFVDHLRRQGDLVDVHTEVDANLEIGAITRRVY--ERRAPAPLFHNIRDS-LPGARVLGAPAGLRADRARAHSRLALHFGLPEH-SGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRF-PVPLLHEQDGGRYFGTYGFHVVQTPDGSWD-----SWSVGRLMLVDRNTLAGPTIPTQHIGIIREQWRRLGKPTPWAMALGAPPAALAAAGMPLPEGVSEAGYVGALVGEPVEVVRTQTNGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVAGTPPEENHTIWGTMISAQLLDVAQNAGLP--VDMVWCSYEAATC--WAVLSIDVQRLAALGTDAAAFAARVAETVFGSH-AGHLVPKLILVGNDIDVTEIDQVVWALATRAHPLHDHFAFPQIRDFPMVPYLDAEDKARGSGGRLVINCLYPEQFAG--QMRAATASFRHAYPTALRRRVEERWSDYGFG----

General information: TITO was launched using: RESULT: Template: 4IP2.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 : 2642 -281456 -106.53 -624.07 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -106.53 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_4IP2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IP2-query.scw PDB file : Tito_Scwrl_4IP2.pdb: