Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLCVMMLLFSAIASFPVSAQAKDQDAGILIIYSTLDGKESSQVKMLDLLAGHFTSHVTVKKDSDVEASDFKGKDHVIYYGQTKRKLSQKLLSLISGVKKPVVAIGYNAGQISQFSGLSLARKENVFQVHSRSEKADVSLESGLNVLSVSGLKGTALYTFKADEGTTHSFIWKTKKGNVYIGLTNLLNDNLIVAKQLREAFGEKAGTTLLYLRLEDISPMSDEKLLLQAGTYLHKRHIPFIL-AVIPVYLNPETGDKVYLSNQPKMVKVLKKLQSMGGSIIVHGYTHAYRYSETGEGFEFWDAKADQPITSGNAEDPPSILEKEQDFPNEQAYHSYLEPFREKEETYTKQKLTRAIEDLTS-SGLYPLAFEAP--HYTMSEYGYQIAS-QYFTSIFGQVQLSSTTWKTSGAPPFVTAPSMLHGMTLYPETIGFVDTSKQNPLGEMEEHISQMIDFEGGVAGGFYHPYL--GMKYLPELVDQMERIPDSEWLDLKKTKQTVKTDKVEIHTSGDGTIQVKNGVSPIYEFFDHHRQTPLEKALWILSAVVLLFVIMFVSYTFYLRATLKKRIFKERRSLG 2VYO Chain:A ((23-220)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TNSGMIAINFVDGPV-R--GVTDRILNTLDELGVKATFSFTVNQKAVG------------NVGQLYRRAVEEGHNVALRVDPSMDEG-----------------YQC-------------------------------LSQDALENNVDREIDTIDGLSGTEIRYAAVPICNGQVNSEMYNILTERGVLPVGYTFCP----------YDYDDPV----------G-----------EFESMIEGSDP--KHHSFIILM--HDGQEADTSRLENMVKIGKDK-GYRFVNMDECLQGYK----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VYO.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 : 921 -112483 -122.13 -588.91 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -122.13 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_2VYO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VYO-query.scw PDB file : Tito_Scwrl_2VYO.pdb: