Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MQSERWWQDSSVTAELFQRPKSFEFIQATRLL-------------------------RHMPANDAALSWCDHFKFETSFNLNFPATEIESL---------ELVDERVHLTNLIVGLTGIQGTLPYTYTNKIKQA------PRQQRAETKEFL--------------SLFNH-----------KLTSQYVESSITYHLPVRYEIENKNDYLDILH---ALNGYVRSQHQQQDLDEYFAEF-SGLMQGQNNTVHALKTMLSC--IFKHEITIKEFVQESFKLAGDQLTTLGGSQPSLLGINTFCGETIQQIDGKIEIQIGPLKHQQYLRF-----LPHQELSLKLKKIVETW---CSPTLSIDLRLILDE---------------SEIQPVRLTQGQEGGLGQ-------GAFLMSRKPNT----HNDETCYSLIGEQI----------------------- 5A1F Chain:A ((1-458)) SMFLPPPECPVFEPSWEEF--ADPFAFIHKIRPIAEQTGICKVRPPPDWQPPFACDVDKLHFTPRIQRLNELEAQTRVRDYTLRTFGEMADAFKSDYFNMPVHMVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDSPEEEEYLDSGWNLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWHI-----EDHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLLHQLVTIMNPNTLMTHEVPVYRTNQ----CAGEFVITFPRAYHSGFNQGFNFAEAVNFCTVDW-LPLGRQCVEHYRLLHRYCVFSHDEMICKMASKADVLDVVVASTVQKDMAIMIEDEKALRETVRKLGVIDSERMDFELLPDDERQCVKCKTTCFMSAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYTLDDLYPMMNALKLRAE

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 : 1702 -3632 -2.13 -11.35 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -2.13 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.189

(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: