Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------MDFNCDLVWMNSMSALLRFTQFVQKTFA-------LWVI--------IFAALALWQPEFFVWLKAYI----------PWILGIIMLGMGMTMTVDDFKGVLQSPKAV--LIGVVAQFV-------VMPGLAFILCKLFNLPPEIAVGVILVGCCPGGTASNVITYMAKG--NVALSVACTSVSTLLAPVLTPAIFYLLASQWL------------KIDAASMFISILQVVLLPIVIGLILRTWLKRQVESYIQVMPLVSVIAIVAIVAAIIGGSKAAILQSGL----------------LILAVVILHNGLGYLLGFAAAR--FFKLPYADSKAIAVEVGMQNSG-LGVALAAVHFAASPITAVPSAIFSLWHNISGPALATYWASKHKQE--------------------- 4LL8 Chain:A ((1016-1468)) ERAAAQSSLIQSHMQSLAANKPSRLSDEVKSMKQELAFIENVIAQANKPKLVNVIRRESGNPDLLELLMDLNSYTLEVTEGYLKKVNVTEVNGDNVLGPIHVITTVVSSLVRNGLLIQSSKFISKVLLTVESIVMSLPKDETMLGGIFWLSNLSRLPAFAANQKTLYEANGGDEKDKLTLIYLNDLENETLKVFDKIYSTWLVKFMKHASAHIEIFDMVLNEKLFKNSGDEKFAKLFTFLNEFDAVLSKFQVVDSMHTKIFNDTLKYLNVMLFNDLITKSPALNWKYGYEVDRNIERLVSWFEPRIEDVRPNLIQIIQAVKILQLKISNLNEFKLLFDFWYALNPAQIQAILLKYKPANKGEAGVPNEILNYLANVIKRENLSLPGKMEIMLSAQFDSAKNHLRYDTSAITQNSNTEGLATVSKIIKL

General information: TITO was launched using: RESULT: Template: 4LL8.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 : 1068 -84409 -79.03 -260.52 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -79.03 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.154

(partial model without unconserved sides chains): PDB file : Tito_4LL8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LL8-query.scw PDB file : Tito_Scwrl_4LL8.pdb: