Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------MLRAISNSHGVLLPRSAIFMSVLFCLLIFQSL-WNIAAAFCAHENQEK------ALHHFGHHAALNVYQTSSHTHVEHTETLDAAHKAPLNLQDHHDHLPTCFHVVMTEVAKQAQTP-VLHVHELSQIYHWSNSYQSPHLSALKPPPVLTPL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4RP9 Chain:A ((6-456)) NIFTVFFNQVMTNAPLLLGIVTCLGYILLRKSVSVIIKGTIKTIIGFMLLQAGSGILTSTFKPVVAKMSEVYGINGAISDTYASMMATIDRMGDAYSWVGYAVLLALALNICYVLLRRITGIRTIMLTGHIMFQQAGLIAVTLFIFGYSMWTTIICTAILVSLYWGITSNMMYKPTQEVTDGCGFSIGHQQQFASWIAYKVAPFLG-KKEESVED-LKLPGWLNIFHDNIVSTAIVMTIFFGAILLSFGIDTVQAMAGKVHWTVYILQTGFSFAVAIFIITQGVRMFVAELSEAFNGISQRLIPGAVLAIDCAAIYSFAPNAVVWGFMWGTIGQLIAVGILVACGSSILIIPGFIPMFFSNATIGVFANHFGGWRAALKICLVMGMIEIFGCVWAVKLTGMSAWMGMADWSILAPPMMQGFFSIGIAFMAVIIVIALAYMFFAGRALRAEEDA

General information: TITO was launched using: RESULT: Template: 4RP9.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 : 325 -20478 -63.01 -144.21 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.45 3D Compatibility (PKB) : -63.01 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.45 QMean score : 0.113

(partial model without unconserved sides chains): PDB file : Tito_4RP9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RP9-query.scw PDB file : Tito_Scwrl_4RP9.pdb: