Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGCPVDIMINNQRYHWTNKPRNSSFEIVV----QGQTVATVHLD-EDCNVRL--------------------------------------------------------------------------------------------------- 4OK4 Chain:A ((30-733)) HPNLIVTEQDVANIAASWESYDAYAEQLNADKTNLDAFMAEGVVVPMPKDAGGGYTHEQHKRNYKAIRNAGFLYQVTGDEKYLTFAKDLLLAYAKMYPSLGEHPNRKEQSPGRLFWQSLNEAVWLVYSIQGYDAIIDGLAAEEKQEIESGVFLPMAKFLSVESPETFNKIHNLGTWAVAAVGMTGYVLGNDELVEISLMGLDKTGKAGFMKQLDKLFSPDGYYTEGPYYQRYALMPFIWFAKAIETNEPERKIFEYRNNILLKAVYTTIDLSYAGYFFPINDALKDKGIDTVELVHALAIVYSITGDNTLLDIAQEQGRISLTGDGLKVAKAVGEGLTQPYNYRSILLGDGADGDQGALSIHRLGEGHNHMALVAKNTSQGMGHGHFDKLNWLLYDNGNEIVTDYGAARYLNVEAKYGGHYLAENNTWAKQTIAHNTLVVNEQSHFYGDVTTADLHHPEVLSFYSGEDYQLSSAKEANAYDGVEFVRSMLLVNVPSLEHPIVVDVLNVSADKASTFDLPLYFNGQIIDFSFKVKDNKNVMKMLGKRNGYQHLWLRNTAPVGD--ASERATWILDDRFYSYAFVTSTPSKKQNVLIAELGANDPNYNLRQQQVLIRRVEKAKQASFVSVLEPHGKYDGSLETTSGAYSNVKSVKHVSENGKDVVVVDLKDGSNVVVALSYNANSEQVHKVNAGEEAIEWKGFSSVVV

General information: TITO was launched using: RESULT: Template: 4OK4.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 : 36 2598 72.17 57.73 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : 72.17 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4OK4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ok4-query.scw PDB file : Tito_Scwrl_4OK4.pdb: