Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MNTYHPFSLTTPSTLMIQDWAQTNQN-------NKEVIAG------FTTKNGGVSQKPFESLNTGLHVH-------DKDADVVKNRE------------------------------YIADMFNTDLQSWVFADQTHDNRVQ------KVTQRDRGKGAREYHTAL------------KATD--GIYTNEKNVFLALCFADCVPLFFYDPVKSLVGVAHAGWKGTVKQIGREMVKQWT------EKEGSNPSDIYAVIGPSISGACYTVDDRVMDAVRALPVSADLAA-NQTAKAQYQLDLKELNRLILMDSGLASEQISVSGLCTESEPSLFYSHRRDQGKTGRMMSFIGMKEA 4YDD Chain:B ((5-333)) MKAPRRQLTYVTDLNKCIGCQTCTVACKKLWTTGPGQDFMYWRNVETAPGLGYPRNWQTKGGGYKNGELQKGKIPPMIDYGIPFEFDYAGRLFEGKPGRVRPSPTPRSAPNWDEDQGAGEYPNNSFFYLPRMCNHCTKPACLEACPNEAIYKREQDGIVVIHQDKCKGAQACVQSCPYAKPYFNPLTNKANKCIGCFPRIEQGVAPACVAQCVG-----------RAMHVGFVDDVNSSVYKLIKQYKVALPLHPEFGTEPNVFYV---PPVLGPRIEMANGEPSTDPKIPLAQLEGLFGKQVRDVLAILQSEREKKM---KGLASDLMDVLIG--RRSTDMMISPLT-----------------

General information: TITO was launched using: RESULT: Template: 4YDD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 989 -49539 -50.09 -204.71 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -50.09 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.161

(partial model without unconserved sides chains): PDB file : Tito_4YDD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YDD-query.scw PDB file : Tito_Scwrl_4YDD.pdb: