Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMEKKSTGISKWGLVALVVSSSIGSG-----VFGITSDLASSAAPGPAILSWIIVGIGILALVLSLNHLGEKRPDLDGGIFGYAEAS--FGKLGGFISGWGYWLSAWLGNVAFATMLMSAMGEFFPIFKGGQNVPSILFASIFIWGLTLLVNNGVEGASVINTIVTICKLVPLFLFLIFVFIAF-KVNIFTADFWGNVSDNLVNGTGQQGTIWLQIKGCLMVMMWVFVGIEGASVLANRAKKRSEAQQASIIGLLCLLFIYILASILPYGVLSQEELATISQ---------PAMANILKGI-VGNWGAALINIGLIISIIGSWLSW-------TMLPAETTMLMARDGLLPKGWGKTNKKNAPTYSLVVTAILTNLFLLTFLVTDY-AYQFAYSLCTAAILIC--------YLLVGIYQVQFSLKEGIKKQVVIGGIAVVFELMGIILAGFSYVLLCSIAYLPGFCFYWIACRETKHQITGKEKVM-IGLICVAALLSIGLLAVGWIKI- 5MSX Chain:A ((21-459)) -----HNNPFGNALIPDMIADASIQEINGVFYCYATTDGYGQGLKTSGPPVVWKSK---------DFVHW-----SFDGTYFPSAAKEKYWAPSKAIFANGKYYIYPTINGYMYPAVADKPEGPF--KLARGKDEFYKPFTPS-----TLLQSKNPGG---IDAEIFVDDDGQAYVFWGRRHVAKLNEDMITVDSVVQVISTP-RKEYSEGPIFFKRKGIYYYLYTIGGDEK-------------------------YQYAYVMSRVSPMGPFEAPEQDIISTTNYERGIFGPGHGCVFHPEGTDNYYFAYLEFGRRSTNRQTYVNQLKFNEDGTIRPVELTMDGVGALKKVKSDKKMKIDTVYASSIEVPLKIEPMKDPTCLRTEYFVPSFAVDGANGSRWMAAAEDSINPWIVADL---------GTVKKVRRSEIYFVR-----PTAGHAYVIEAS---MDGKVWQEFAVHQDRKMCSPHTDVLNKRFRYLRIKILKGVPGIWEWNIY

General information: TITO was launched using: RESULT: Template: 5MSX.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 : 2237 -98846 -44.19 -245.28 target 2D structure prediction score : 0.22 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -44.19 2D Compatibility (Sec. Struct. Predict.) : 0.22 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.125

(partial model without unconserved sides chains): PDB file : Tito_5MSX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MSX-query.scw PDB file : Tito_Scwrl_5MSX.pdb: