Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MNSFLGLLKKDIK--------------LS-RMWLLVWICGIIFLLGT-------------GHIIASRTKEPLVI-FGFFVAVA------FFLLFLSPVFVFYHLRKE-GKSQLW-------------------------LYNPNGGLWLFSSKLAASLLYQFVIQLALTAYGIWMYHMLSVKNLLEHQVDITST-VALLNMYGLISSLDMSVTVIVFWTVFHSLRNWRGMRWAAMVL-----LVAMWLFFDEYIISPLVESQKHFWP-VTVYCNFDFHFHNVWRLELKPIHLSVLGF-PIAIV----ITFLLLIMASKLLDRKVEV------------------------------------- 1VPR Chain:A ((868-1218)) EKGFEAGDNKLGGALNAKHVEKYGDNFKNGMHKPEFHEDGLHKPMEVGGKKFESGFHYLLECHELGGKNASGGYGGPLCEDPYGSEVQAMTEKLLKEADSDRTLCFNNFQDPCPQLTKEQVAMCKGFDYGDKTLKLPCGPLPWPAGLPEPGYVPKTNPLHGRWITVSGGQAAFIKEAIKSGMLG-------AAEANKIVADTDHHQTGGMYLRINQFGDVCTVDASVA-----KFARAKRTWKSGHYFYEPLVSGGNLLGVWVLPEEY------RKIGFFWEMES---------GRCFRIERRAFPVGPYTFMRQATEVGGKISFVFYVKVSNDPESDPIPLQSRDYTALAGRDNAPTNLGKPYPTLAKDLDYPKKRD

General information: TITO was launched using: RESULT: Template: 1VPR.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 : 1019 -117009 -114.83 -517.74 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -114.83 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_1VPR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VPR-query.scw PDB file : Tito_Scwrl_1VPR.pdb: