Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MFRRYPYSDSSNSEEKRRKNMKY-----FQLVLTLITAMVIEVLEQKLA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5K6L Chain:A ((5-798)) KVILDWNEYIEAARSVVSEGCVLLENNGTLPLEKGAVVSIFGRIQTHYYKSGTGSGGMVNVTHVVGVPEGLKLSEHVTVNEELENIYKEWEEENPFDEGLGWGTEPWSQPEMELTDEIVSNASAKSDVAIVIIGRTAGEDKDFSDVAGAYKLSETEEDMLRRVRKHFDKMVVLLNVGSLMDLNVISEINPDALMVIWQGGMIGGLGTADVLTGKVNPSGKLTDTIAYEINDYPSTENFGDPVRDYYAEDIYVGYRYFETFEKSKVRYPFGYGISYTEFEHTVGEFTADINSRTFTASCTVKNTGSVAGKDVAQFYVSAPQGKLGKPEKVLVAFKKTGILNPGKEEKITVTVPFDRFASFDDTGVTGAESCFVLEAGEYTVYEGKNVRESYKEGSFTLEENIVTEKLSKALAPMESFKRMKASENSDGTLSVKYEDVPVSDV-DEKKRRLDNMPVEIPQDFTARYSLKDVLSGSVDMEKFIARLSDDDLACIVRGEGMGSSLVTAGTAAAFGGVSEYLRKMDIPAVCCDDGPSGMRLDSGATAFSMPNGTMLASTFNPDVIERMYGFTSLEMIYNKVECLLGPGMNIHRNPLNGRNFEYFSEDPYLNGTIASAMLKGLHKYGSDGVAKHFCCNNQELGRQACDSVVSQRALREIYLKGFEIAVKEGGCKAFMTTYAQVNGMWTAGNYDLNTRILRDEWGFKGIVMTDWWAQVNDRGGEPTKNNTAAMVRAQNDLYMVTANAAMNSANDNTLSQLSEGKLNRAELQRCAMNICEYAMNTMAMKRLCRNDIKVEIAGR

General information: TITO was launched using: RESULT: Template: 5K6L.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 : 13 41 3.12 0.94 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : 3.12 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_5K6L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K6L-query.scw PDB file : Tito_Scwrl_5K6L.pdb: