Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSREEYAELFGPTTGDKIRLGDTDLWIEVEKDFTVYGEEMIFGGGKTIRDGMGQNGRITGKDGALDLVITNVVLLDYT--G--IVKADVGVKDGRIVGVGKSGNPDIMDGVDPHMVIGAGTEVISGEGKILTAGGVDTHIHFICPQ-------------------------------------QMEVALSSGVTTLLGGGTGPATGSKATTCTSGAWYMARMLEAAEEFPINVGF-------LGKGN---ASDKAPLIEQVE----AG--AIGLKLHEDWGTTPSAIKTCMEVVDEADIQVAIHTDTINEA-G-FLEN----T---LDA---IG--DRVIHTYHIEGAGGGHAPDIMKLASYANILPSSTTPTIPYTVNTMDEHLDMMMVCHHLDAKVPEDVAFSHSRIRAATIAAEDILHDIGAISMTSSDSQAMGRVGEVIIRTWQVADKMKKQRGALAGENGNDNVRAKRYIAKYTINPAITHGLSHEVGSVEKGKLADLVLWDPVFFG-----------------VKPELVLKGGMIARAQMGDPNASIPTPEPVFMRQMYASYGKANRSTSITFMSQASIERGVAESLGLEKRISPVKNIRKLSKLDMKLNSALPKIEIDPKTYQVFADGEELSCQPVDYVPLGQRYFLF 4GBD Chain:A ((20-434)) ----------------------------------------------------------------NPFDLLLLPTWIVPVEPAGVVLRDHALGIRDGQIALVAPREQAM----------RHGATEIRELPGMLLAPGLVNAHGHSAMSLFRGLADDLPLMTWLQDHIWPAEGQWVSEDFIRDGTELAIAEQVKGGITCFSDMYFYPQAI----------------CGVVHDSGVRAQVAIPVLDFPIPGARDSAEAIRQGMALFDDLKHHPRIRIAFGPHAPYTVSDDKLEQILVLTEELDASIQMHVHETAFEVEQAMERNGERPLARLHRLGLLGPRFQAVHMTQV-------DNDDLAMLVETNSSVI-----------------------HCPESNLK---------LA-SGFCPVEKLWQAGVNVAIGTDGAASNND----LDLLGETRTAALL-AKAVY-GQATALDAHRALRMATLNGARALGLERLIGSLEAGKAADLVAFDLSGLAQQPVYDPVSQLIYASGRDCVRHVWVGGRQLLDDGRLL----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GBD.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 : 1833 -22265 -12.15 -68.09 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -12.15 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4GBD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GBD-query.scw PDB file : Tito_Scwrl_4GBD.pdb: