Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEEKYETNGYDTSIVYDYKEYPDVKYGRCDNCDYTLFKSSVKSGIFLRECRRCGMKKSI--------------------------------------- 5A1F Chain:A ((1-458)) SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICKVRPPPDWQPPFACDVDKLHFTPRIQRLNELEAQTRVRDYTLRTFGEMADAFKSDYFNMPVHMVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDSPEEEEYLDSGWNLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWHIEDHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLLHQLVTIMNPNTLMTHEVPVYRTNQCAGEFVITFPRAYHSGFNQGFNFAEAVNFCTVDWLPLGRQCVEHYRLLHRYCVFSHDEMICKMASKADVLDVVVASTVQKDMAIMIEDEKALRETVRKLGVIDSERMDFELLPDDE-RQCVKCKTTCFMSAISCS--------CKPGLLVCLHHVKELCSCPPYKYKLRYRYTLDDLYPMMNALKLRAE

General information: TITO was launched using: RESULT: Template: 5A1F.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 : 105 4997 47.59 99.94 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : 47.59 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_5A1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1F-query.scw PDB file : Tito_Scwrl_5A1F.pdb: