Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKLCREVWIEVNLDAVKKNLRAIRRHIPHKSKIMAVVKANGYGHGSIEVARHALEHGASELAVASVEEGIVLRKAGITAPILVLGFTSLSCVKKSAAWNITLSAFQVDWMKEANEILE-KEASANRLAIHINVDTGMGRLGVRTKEE-LLEVVKALKASKFLRWTGIFTHFSTADEPDTTLTKLQHEKFISFLSFLKKQGIELPTVHMCNTAAAIAFPEFSADMIRLGIGLYGLYPSAYIKQLNLVKL-EPALSLKARIAYVKTMRTEPRTVSYGATYIAEPNEVIATLPIGYADGYSRALSNRGFVLHRGKRVPVAGRVTMDMIMVSLGENGEGKQGDEVVIYGKQKGAEISVDEVAEMLNTINYEVVSTLSRRIPRFYIRDGEIFKVSTPVLYV 4A3Q Chain:A ((4-378)) --KYYRSAYMNVDLNAVASNFKVFSTLHP-NKTVMAVVKANAYGLGSVKVARHLMENGATFFAVATLDEAIELRMHGITAKILVLGVLPAKDIDKAIQHRVALTVPSKQWLKEAIKNISGEQE--KKLWLHIKLDTGMGRLGIKD-TNTYQEVIEIIQQYEQLVFEGVFTHF--------DMTTEQYQRFKDMVN----EAIKPEYIHCQNSAGSLLMDCQFCNAIRPGISLYGYYPSEYVQQKV-KVHLKPSVQLIANVVQTKT-------------------TTIALLPIGYADGYLRIMQ-GSFVNVNGHQCEVIGRVCMDQTIVKVPD--QVKAGDSVILIDNHRESPQSVEVVAEKQHTINYEVLCNLSRRLPRIYHDGDQRFVTN------

General information: TITO was launched using: RESULT: Template: 4A3Q.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 : 1979 -100437 -50.75 -289.44 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -50.75 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_4A3Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A3Q-query.scw PDB file : Tito_Scwrl_4A3Q.pdb: