Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVITRDFFLFLSKSGFLNKMARNWGSRIAAGKIIGGNDFNSSIPTIRQLNSQGLSVTVDHLGEFVNSAEVARERTEECIQTIATI--------------ADQELN------SHVSLKMTSL-------GLDIDMDLVYENMTKILQTAEKHKIMVTIDMEDEVRCQKTLDIFKDFR---KKYEHVSTVLQAYLYRTEKDIDDLDS------LNPFLRLVKGAYKESEKV----------AFPEKSDVDENYKKIIRKQLLNGH--YTAIATHDDKMIDFTKQLAKEHGIANDKFEFQMLYGMRSQTQLSLVKEGYNMRVFLPYGE--DWYGYFMRRLAERPSNIAFAFKGMTKK 4NMD Chain:A ((117-439)) -----------------------------ARQFIVGETTKEAVKNLEKLRKDGFAAVVDVLGEATLSEEEAEVYTNTYLELLEALKKEQGSWKGLPGKGGDPGLDWGHAPKVNIAVKPTALFCLANPQDFEGSVVAILDRMRRIFKKVMELNGFLCIDMESYRHKEIILEVFRRLKLEYRDYPHLGIVLQAYLKDNDKDLDDLLAWAKEHKVQISVRLVKGAYWDYETVKAKQNDWEVPVWTIKAESDAAYERQARKILENHQICHFACASHNIRTISAVMEMARELNVPEDRYEFQVLYGMAEPVRKGILKVAGRIRLYAPYGNMVPGMGYLVRRLLENTANESF--------

General information: TITO was launched using: RESULT: Template: 4NMD.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 : 1247 5108 4.10 19.13 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 4.10 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4NMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NMD-query.scw PDB file : Tito_Scwrl_4NMD.pdb: