Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHKELTSFPKDFLWGSASAAYQVEGAWQEDGKGESVWDRFVRIPGKTFKGTNGDLAVDHYHRYKEDIALMKEQGLKAYRFSVAWTRIFPNGRGEVNQAGLAFYERLIDELIENDIEPMLTLYHWDLPQALQDEYNGWESRQIIEDFTHYAETLFEAFRGKVHYWISLNEQNIFTSLGYLLAAHPPGVTDPKRMYEVNHIANLANASVINKFHELE-MPGKIGPSFAYTPNYPIDSNPENVLAAENAEDLMANYWMDVYMWGKYPIAAMRFLEEKGWAPTIEAGDAELLESAKP-DFLGINYYQTATNAFNPLNGVGAGKMNTTGKKGSSEETGVPGMYKKVENPFVERTNWDWEIDPEGLRIGLRRITSRYRM-PVLITENGLGEYDKLTEDKQIHDDYRINYLQSHVKAIKEAISDGAEVLGYCTWSYTDLLSWLNGYQKRYGFVYVDQDETQEGSLERYKKDSYYWYQKLIEENGENL 5AYI Chain:A ((6-440)) --------FPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRL-GWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLQLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYP---QDMLDYYG-AAAPQANPEDLTQIAAPLDWLGVNYYE---------------RMRAVDAPDASLPQA-----QRLDDPDLPHTA-DREVYPEGLYDILLRLHNDYPFRPLYITENGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFE-----TLERRIKDSGYWLRDFI-------

General information: TITO was launched using: RESULT: Template: 5AYI.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 : 2635 -107308 -40.72 -248.40 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -40.72 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_5AYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYI-query.scw PDB file : Tito_Scwrl_5AYI.pdb: