Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRRELCTPLRTIMTPGPVEVDPRVLRVMSTPVVGQFDPAFTGIMNETMEMLRELFQTKNRWAYPIDGTSRAGIEAVLASVIEPEDDVLIPIYGRFGYLLTEIAERYGANVHMLECEWGTVFDPEDIIREIKKVKPKIVAMVHGETSTGRIHPLKAIGEACRTEDALFIVDAVATIGGCEVKVDEWKIDAAIGGTQKCLSVPSGMAPITYNERVADVIAARKKVERGIATQADRAALSGNRPITSNYFDLSQLEDYWSERRLNHHTEATTMLYALREGVRLVLEEGLETRFERHRHHEAALAAGIKAMGLRLFGDDSCKMPVVTCVEIPGGIDGESVRDM-LLAQFGIEIASSFGPLAGKIWRIGTMGYSCR-KENVLFVLAGLEAVLLRHNAGIEAGKALQAALDVYENAGRQAAV 1VJO Chain:A ((30-392)) ------LEVPSRLLLGPGPSNAHPSVLQAMNVSPVGHLDPAFLALMDEIQSLLRYVWQTENPLTIAVSGTGTAAMEATIANAVEPGDVVLIGVAGYFGNRLVDMAGRYGADVRTISKPWGEVFSLEELRTALETHRPAILALVHAETSTGARQPLEGVGELCREFGTLLLVDTVTSLGGVPIFLDAWGVDLAYSCSQKGLGCSPGASPFTMSSRAIEKLQRRRTKVANW------------------YLDMNLLGKYWGSERVYHHTAPINLYYALREALRLIAQEGLANCWQRHQKNVEYLWERLEDIGLSLHVEKEYRLPTLTTVCIPDGVDGKAVARRLLN-EHNIEVGGGLGELAGKVWRVGLMGFNSRKES-VDQLIPALEQVL-----------------------------

General information: TITO was launched using: RESULT: Template: 1VJO.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 : 2164 -236533 -109.30 -655.22 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -109.30 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_1VJO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VJO-query.scw PDB file : Tito_Scwrl_1VJO.pdb: