Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHKELTSFPKDFLWGSASAAYQVEGAWQEDGKGESVWDRFVRIPGKTFKGTNGDLAVDHYHRYKEDIALMKEQGLKAYRFSVAWTRIFPNGRGEVNQAGLAFYERLIDELIENDIEPMLTLYHWDLPQALQDEYNGWESRQIIEDFTHYAETLFEAFRGKVHYWISLNEQNIFTSLGYLLAAHPPGVTDPKRMYEVNHIANLANASVINKFHELE-MPGKIGPSFAYTPNYPIDSNPENVLAAENAEDLMANYWMDVYMWGKYPIAAMRFLEEKGWAPTIEAGDAELLESAKP-DFLGINYYQTATNAFNPLNGVGAGKMNTTGKKGSSEETGVPGMYKKVENPFVERTNWDWEIDPEGLRIGLRRITSRYRM-PVLITENGLGEYDKLTEDKQIHDDYRINYLQSHVKAIKEAISDGAEVLGYCTWSYTDLLSWLNGYQKRYGFVYVDQDETQEGSLERYKKDSYYWYQKLIEENGENL 3WH6 Chain:A ((6-440)) --------FPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRL-GWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLNLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYP---QDMLDYYG-AAAPQANPEDLTQIAAPLDWLGVNYYE---------------RMRAVDAPDASLPQA-----QRLDDPDLPHTA-DREVYPEGLYDILLRLHNDYPFRPLYITENGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFE-----TLERRIKDSGYWLRDFI-------

General information: TITO was launched using: RESULT: Template: 3WH6.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 : 2648 -112295 -42.41 -259.94 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -42.41 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3WH6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WH6-query.scw PDB file : Tito_Scwrl_3WH6.pdb: