Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRPGKKSSSNKSRVMKNKYAHRSWLGAVCLLGCSLSYAAEEQFNDALNAANSGNTALLDQYQLA-MQNDVLGYYPEYWKLNTNLGFQSPTSIVSFAQRYPQSAMAEKLAADYVEEKVKQADFASAQPILPYVS--NPDQAENCALAQVRAKSGD-ALVFAEYKDVWLATESQPESCIGL-------------GRMMLS-SPLMSTQDKQQRLWVQLRAGLSGQALATAQTLGL----NLSLAQ-------LNQIQANP------LNYLWSAPKTNDVDYAYLIFALGRLANNDLGNAFANVQRVAQGTPESVQKYLYRTVAYIGGTTVMKNNFNREVLQYFDASYGYPL-SPEEA-EIYARQAIRFSAWESLIRAIDSMSVSQKQEDRWQYWLARATEQRGDSNSKNTAQCIYKKLAE-SGDDYHNLLAKDRLGVRY-NHQPYNDEPTASDLRRLDQN--IHFNRAFTLRRINVNPTYTNREWNWAVRQAYLQHDDG-LLLAAAKRAHDMGWYDRAIYAADRTTNKHNDTYRYVTPHKTNVVSHSYNAGIDPAWAYGLMRQESRFVTSARSHVGAGGLMQIMPDTAKLIARQMGETYNPAALSEMNTNIRYGTFYLSMIQGQLSNNPVLATAGYNAGPNRARRWQPDYQPIEADQYTETIPLLETRDYVKHVMTNATHYGVILGQGAQSLIQRMKVIPTRSSP 4UI9 Chain:Y ((42-503)) -------------------------------------KYQLLVYHADSLFHDKEYRNAVSKYTMALQQKKAL-----------------------------LPSEIEVKYKLAECYTVLKQDKDAIAILDGIPSRQRTPKINMMLANLYKKAGQERPSVTSYKEVLRQCPLALDAILGLLSLSVKGAEVASMTMNVIQTVPNLDWLSVWIKAYAFVHTGDNSRAISTICSLEKKSLLRDNVDLLGSLADLYFRAGDNKNSVLKFEQAQMLDPYLIK---GMDVYGYLLAREGRLEDVENLGCRLFNISDQHA-----EPWVVSGCH-SFY-SKRYSRALYLGAKAIQLNSNSVQALLLKGAALRNMGRVQEAIIHFREAIRLAPCRLDCYEGLIECYLASNSI---REAMVMANNVYKTLGANAQTLTLLATVCLEDPVTQEKAKTLLNKALTQEPDYIKAVVKKAELLSREQ-KYEDGIALLRNALA----NQSDCVLHRILGDFLVAVNEYQEAMDQYSIALS----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UI9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Y - contact count / total energy / energy per contact / energy per residue : 1746 -23214 -13.30 -58.18 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain Y : 0.56 3D Compatibility (PKB) : -13.30 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_4UI9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UI9-query.scw PDB file : Tito_Scwrl_4UI9.pdb: