Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMFNIVRKEFQFGQHQVVLETGRVARQANTVLITMGGVTVLVAVVAAPTAKAGQDFFPLTVNYQEKQYAAGRIPGGYGKREGRASEAETLTSRLIDRPIRPLFPEGYYNEIQVTATVVSSDKTMEADIAAMLGTSAALAIAGTPFRGPIGAARVGLINGEYVLNPNFEQMAQSDLDLVVAGT-ESAVLMVESEAKELSEDQMLGAVLFGHDEMQIAIQAINEFAAAAGAKPSDWVAPAH-NEELRAKLKEAFEAKISEAYTIAV--KQDRYAALDALHAEAVAQFVPEEDVDGIADEVDYLFEDLKYRTVRDNILSGKPRIDGRDTKTVRALDVQVGVLERAHGSALFTRGETQALVTTTLGNTRDAL----MVDTLAGTKTDNFMLHYNFPAYSVGETGRESGPKRREIGHGRLARRGVQAVLPAADRFPYVIRIVSDITESNGSSSMASVCGASLSLMDAGVPLKAPVAGIAMGLVKEG-------ERFAVLSDILGDEDHLGDMDFKVAGSANGITALQMDIKIEGITEEIMEVALNQAFAGRMHILNEMNKVISRARPEISMHAPTFEVITINPDKIRDVIGKGGATIRQITEETKAAIDIEDNGTVRVFGETKAAAKAAIAKIQAITAEVEPGKIYDGKVIRIVEFGAFVNIMPGTDGLLHISQISNERITNVTDVLKEGQEVKVQVQDVDNRGRIKLTMKDIEQA 3U1K Chain:A ((4-627)) MA----SAVAVDLGNRKLEISSGKLARFADGSAVVQSGDTAVMVTAVSKTKPSPSQFMPLVVDYRQKAAAAGRIPTNYLT-----SDKEILTSRIIDRSIRPLFPAGYFYDTQVLCNLLAVDGVNEPDVLAINGASVALSLSDIPWNGPVGAVRIGIIDGEYVVNPTRKEMSSSTLNLVVAGAPKSQIVMLEASAENILQQDFCHAIKVGVKYTQQIIQGIQQLVKETGVTKRTPQKLFTPSPEIVKYTHKLAMERLYAVFTDYEHDKVSRDEAVNKIRLDTEEQLKEKFP-EADPYEIIESFNVVAKEVFRSIVLNEYKRCDGRDLTSLRNVSCEVDMFKTLHGSALFQRGQTQVLCTVTFDSLESGIKSDQVITAINGIKDKNFMLHYEFPPYATNEIGKVTGLNRRELGHGALAEKALYPVIP--RDFPFTIRVTSEVLESNGSSSMASACGGSLALMDSGVPISSAVAGVAIGLVTKTDPEKGEIEDYRLLTDILGIEDYNGDMDFKIAGTNKGITALQADIKLPGIPIKIVMEAIQQASVAKKEILQIMNKTISKPRASRKENGPVVETVQVPLSKRAKFVGPGGYNLKKLQAETGVTISQVDEETFSVFAPTPSAMHEARDFITE---------------------------------------------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 3502 -65245 -18.63 -108.02 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -18.63 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.528

(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: