Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSALDEVEKVLWDHYGLRGPFEVTALAAEGRNNSLVAFRSP-GG-AFVWKQGSSALAPVQQREFALLAWLAEQDLPFRMAAPLRTLAGAWGWEGGRGLNVLLPLLPGERLPE-TADAWHALGTALNALHAALARFPLEGAPR--L-LDWAKLGDLHPRVPDP--------LALSFEQPDLWGDEATLHSWRLAFGEMLWRV------RDAYAALPHQVVHGDFNSVNVLFGGGGVSAVLDFEFACPGPRLLDVATALSEVLVRPEPEWALAQAFLRGYGQ---LTLQERAALPAALLLRQAAVGVWGLGLALEDGPNATTQARLRELGTVSAWLKTQGDRLSTG 4PDY Chain:A ((18-300)) -SQAPLIPQAVVSKYDLA-IQQR---H-A---DGNIEVWTDSKGRRYAAKRSSIA-PAHCRIMVQCLRHAQEQGFT-KFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK--DDVFGLFQARWR---DLRQMWLGADRKREKDAFDQLLLS-MRDELHR-DAAESLALFEDRDVIAYLEA-ERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILR-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1053 -20536 -19.50 -80.53 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -19.50 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.274

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: