Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMFNIVRKEFQFGQHQVVLETGRVARQAN-TVLITMGGVTVLVAVVAAPTAKAGQDFFPLTVNYQEKQYAAGRIPGGYGKREGRASEAETLTSRLIDRPIRPLFPEGYYNEIQVTATVVSSDKTMEADIAAMLGTSAALAIAGTPFRGPIGAARVGLINGEYVLNPNFEQMAQSDLDLVVAGTES-AVLMVESEAKELSEDQMLGAVLFGHDEMQIAIQAINEFAAAAGAKPSDW-VAPAHNEELRAKLKEAFEAK-ISEAYT--IAVKQDRYAALDALHAEAVAQFVPEEDVDGIADEVDYLFEDLKYRTVRDNILSGKPRIDGRDTKTVRALDVQVGVLERAHGSALFTRGETQALVTTTLGNTRD----ALMVDTLAGTKTDNFMLHYNFPAYSVGETGRESGPKRREIGHGRLARRGVQAVLPAADRFPYVIRIVSDITESNGSSSMASVCGASLSLMDAGVPLKAPVAGIAMGLVKEG----ERFAVLSDILGDEDHLGDMDFKVAGSANGITALQMDIKIEGITEEIMEVALNQAFAGRMHILNEMNKVISRARPEISMHAPTFEVITINPDKIRDVIGKGGATIRQITEETKAAIDIEDNGTVRVFGETKAAAKAAIAKIQAITAEVEPGKIYDGKVIRIVEFGAFVNIMPGTDGLLHISQISNERITNVTDVLKEGQEVKVQVQDVDNRGRIKLTMKDIEQA 3U1K Chain:C ((7-627)) -------AVAVDLGNRKLEISSGKLARFADGSAVVQSGDTAVMVTAVSKTKPSP-SQFMPLVVDYRQKAAAAGRIPTNYLR---GTSDKEILTSRIIDRSIRPLFPAGYFYDTQVLCNLLAVDGVNEPDVLAINGASVALSLSDIPWNGPVGAVRIGIIDGEYVVNPTRKEMSSSTLNLVVAGAPKSQIVMLEASAENILQQDFCHAIKVGVKYTQQIIQGIQQLVKETGVTKRTPQKLFTPSPEIVKYTHKLAMERLY-AVFTDYEHDKVSRDEAVNKIRLDTEEQLKEKFPE-ADPYEIIESFNVVAKEVFRSIVLNEYKRCDGRDLTSLRNVSCEVDMFKTLHGSALFQRGQTQVLCTVTFDSLESGIKSDQVITAINGIKDKNFMLHYEFPPYATNEIGKVTGLNRRELGHGALAEKALYPVIPR--DFPFTIRVTSEVLESNGSSSMASACGGSLALMDSGVPISSAVAGVAIGLVTKTDGEIEDYRLLTDILGIEDYNGDMDFKIAGTNKGITALQADIKLPGIPIKIVMEAIQQASVAKKEILQIMNKTISKPRASRKENGPVVETVQVPLSKRAKFVGPGGYNLKKLQAETGVTISQVDEETFSVFAPTPSAMHEARDFITE---------------------------------------------------------------------------------

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 C - contact count / total energy / energy per contact / energy per residue : 3514 42344 12.05 70.46 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : 12.05 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.513

(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: