Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIWFAEYQKTGIPETVALPAENTSLVDIFERNFQKFGSRDAFIFMDKAMSFNELELASRKFATYLQNLGLAKGTRVAVMMPNVLQYPVVALAVLRAGLVLVNVNPLYTARELEHQLNDSGAEVLVIIENFASVYQSILGKTPVKHVVVASVGDMLGTLKGTLVNFVLRKVRKQIPAWNIPGHVKFNSALNKENPSNYKRPTLTLSDTAVLQYTGGTTGVSKGAELTHRNLVANLLQCDGIFQSKFGANDG-AKGDRIVCALPLYHIF---AFMVCAMYGMYKGQANILIPNPRDLPAVIKELRKYQPSFFPAVNTLFNALVNNEEFKQLDHSNLKMAMGGGMAVLPSTAEAWKKITGTTIIEGYGLSET-SPVATANPPASTEFSGTIGIPLPLTEVAILDDDGKEVPLGEQGEISIRGPQVMKGYWNRPDETAKVMTADGFFRTGDIGVMDSRGYVKIVDRKKDMILVSGFNVYPSEIEEVIAKHPKVLEVAAIGVPDEKSGEVPKLFIVKKDPSLTTEEVLNFAKENLTGYKRPRYVEFMDELPKSNVGKILR---KDLRKPV 5BUS Chain:A ((21-484)) ----------------------------------------RIALIYEDQTVTFAELFAASKRMAEQLAAHSVRKGDTAAILLQNRAEMVYAVHACFLLGVKAVLLNTKLSTHERLFQLEDSGSGFLLTDSSFE--------KKEYEHIVQT---------------------------------IDVDELMKEAAEEIEIEAYMQMDATATLMYTSGTTGKPKGVQQTFGNHYFSAVSS--------ALNLGITEQDRWLIALPLFHISGLSALFKSVIYGM-----TVVLHQRFSVSDVLHSINRHEVTMISAVQTMLASLL--EETNRCPESIRCILLGGGPAPLPLLEECREK--GFPVFQSYGMTETCSQIVTLSPEFSMEKLGSAGKPLFSCEIKI-ERDGQVCEPYEHGEIMVKGPNVMKSYFNR-ESANEASFQNGWLKTGDLGYLDNEGFLYVLDRRSDLIISGGENIYPAEVESVLLSHPAVAEAGVSGAEDKK--KVPHAYLVLHKP-VSAGELTDYCKERLAKYKIPAKFFVLDRLPRNASNKLLRNQLKDARK--

General information: TITO was launched using: RESULT: Template: 5BUS.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 : 2553 -94918 -37.18 -209.07 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -37.18 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_5BUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BUS-query.scw PDB file : Tito_Scwrl_5BUS.pdb: