Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMFNIVRKEFQFGQHQVVLETGRVARQANTVLITMGGVTVLVAVVAAPTAKAGQDFFPLTVNYQEKQYAAGRIPGGYGKREGRASEAETLTSRLIDRPIRPLFPEGYYNEIQVTATVVSSDKTMEADIAAMLGTSAALAIAGTPFRGPIGAARVGLINGEYVLNPNFEQMAQSDLDLVVAGT-ESAVLMVESEAKELSEDQMLGAVLFGHDEMQIAIQAINEFAAAAGA---KPSDWVAPAHNEELRAKLKEAFEAKISEAYTIAVKQDRYAALDALHA------EAVAQFVPEEDVDGIADEVDYLFEDLKYRTVRDNILSGKPRIDGRDTKTVRALDVQVGVLERAHGSALFTRGETQALVTTTLGNTRDALMVD----TLAGTKTDNFMLHYNFPAYSVGETGRESGPKRREIGHGRLARRGVQAVLPAADRFPYVIRIVSDITESNGSSSMASVCGASLSLMDAGVPLKAPVAGIAMGLVK-----EGERFAVLSDILGDEDHLGDMDFKVAGSANGITALQMDIKIEGITEEIMEVALNQAFAGRMHILNEMNKVISRARPEISMHAPTFEVITINPDKIRDVIGKGGATIRQITEETKAAIDIEDNGTVRVFGETKAAAKAAIAKIQAITAEVEPGKIYDGKVIRIVEFGAFVNIMPGTDGLLHISQISNERITNVTDVLKEGQEVKVQVQDVDNRGRIKLTMKDIEQA 3U1K Chain:B ((12-621)) ------------LGNRKLEISSGKLARFADGSAVVQSGDTAVMVTAVSKTKPSPSQFMPLVVDYRQKAAAAGRIPTNYL----GTSDKEILTSRIIDRSIRPLFPAGYFYDTQVLCNLLAVDGVNEPDVLAINGASVALSLSDIPWNGPVGAVRIGIIDGEYVVNPTRKEMSSSTLNLVVAGAPKSQIVMLEASAENILQQDFCHAIKVGVKYTQQIIQGIQQLVKETGVTKRTPQKLFTPSP-EIVKYTHKLAME-RLYAVFT-DYEHDKVSRDEAVNKIRLDTEEQLKEKFPEADPYEIIESFNVVAKEV-FRSI---VLNEYKRCDGRDLTSLRNVSCEVDMFKTLHGSALFQRGQTQVLCTVTFDSLESGI---QVITAINGIKDKNFMLHYEFPPYATNEIGKVTGLNRRELGHGALAEKALYPVIPR--DFPFTIRVTSEVLESNGSSSMASACGGSLALMDSGVPISSAVAGVAIGLVTKTDPGEIEDYRLLTDILGIEDYNGDMDFKIAGTNKGITALQADIKLPGIPIKIVMEAIQQASVAKKEILQIMNKTISKPRASRKENGPVVETVQVPLSKRAKFVGPGGYNLKKLQAETGVTISQVDEETFSVFAPTPSAMHEA---------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3U1K.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3364 -68986 -20.51 -118.53 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -20.51 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_3U1K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U1K-query.scw PDB file : Tito_Scwrl_3U1K.pdb: