Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLKNKIRRFMEKKNLNPMNNRKKVGIILFATSIGLFFLFAVRFSYIVIGGHVAGTSLAEKTKQLYQGSEVVKAKRGTIYDRNGVALAEDASSYSIKAILSKTYTSGDKKLYVEEKNFDKIAEILHKNLSIDKKDALNILEDGAKKELYQVEFGSYGKNISQETKQNIEADMKKEGVAGLYFVDHQARMYPNGVFSSHFIGYAVPDKDENG---LVGKLGLESAYNDILSGKDGKIIYQKDNFQNPLPGTVAEEEKAVDGQDIYTTLDSRLQSYLETLMDQVNEEYQPEELTAVLMKAKTGEILAMGQRPTFNPETMEGLTGKDAIWRNFLVQDSYEPGSTMKVFTTAAAIEEGEFNENETFQSGKIQVEDATINDHDFGEKGVLTMRQALSWSSNVGMVILEQRLGG-RWYNYLQKLGFGQSTHSGLDDEVNGALPTSNIVDRAMSAYGQAVGVTNFQMMKAFTSIANNGTMIQPRYISKVVDPQTGEERTTQTEVLGQPFSKETTEKVREYMRDVVESENYGSAYG-VYSVPGYNVSAKTGTAQIASDT-GGYQTGDTAYLYSIVEMVPSEDPDYVLYLTMKHPKTYDRMALAKIANPLMKRAMDFKETE------EDSDTETKTEKVSVADYRNLEADVAAADAQKSGLQPVVIGNGKKVQKQSTANGDQLISGEKLILYTGGDKLMPDVTGWSKADIMKLGKILGIEVSFDGDGYCVKQELAPYEKITE--DKLSFTLEE 1K25 Chain:A ((67-750)) ------------------------------------------------------------------QITRTVPAKRGTIYDRNGVPIAEDATSYNVYAVTTSP-----------------------------------------------------------------------------------NRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYG-----NIVPGTELVSQQTVDGKDVYTTLSSPLQSFMETQMDAFLEKVKGKYMTATLVSAKTGEILATTQRPTFNADTKEGIT-EDFVWRDILYQSNYEPGSAMKVMTLASSIDNNTFPSGEYFNSSEL--------------------------SSNVGMSLLEQKMGDATWLDYLKRFKFGVPTRFGLTDEYAGQLPADNIVSIAQSSFGQGISVTQTQMLRAFTAIANDGVMLEPKFISAIYDTNNQSVRKSQKEIVGNPVSKEAASTTRNHMILVGTDP-------LIITVPGQNVAVKSGTAQIADEKNGGYLVGSTNYIFSAVTMNPAENPDFILYVTVQQPEHYSGIQLGEFATPILERASAMKESLNLQSPAKNLDKVTTESSYAMPSIKDISPGELAEALRRNIVQPIVVGTGTKIKETSVEEGTNLAPNQQVLLLSDKVEEIPDMYGWKKETAETFAKWLDIELEFEGSGSVVQKQDVRTNTAIKNIKKIKLTLGD

General information: TITO was launched using: RESULT: Template: 1K25.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 : 3170 160199 50.54 295.57 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 50.54 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_1K25.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1K25-query.scw PDB file : Tito_Scwrl_1K25.pdb: