Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKWQWLVYGWKLIILTLLTAAVFSYAMFQGGFVSWFLFYAFLPFVLYAGLLALYPLRSFQASRQMDKTQLHAGDRLGVTVTLRRKLPFPLMYMVIEDCLPEGIESLNRDGAAAKRLVFPWFKRSMTMSYELARVPRGEHHFHSVRVRTGDVLGLIEKTAFFELDDTLFVYPFYQRFS-------YQVNERHQEDGVSGSSPIHQHHSSVAASVRNYQPGDRFAALD-WKTSARRSQLMTKEFEP------SRSKN-----------LFLLMDRFSSDAFEEVVSVTASILHSVLKNGAGAGLASIGKEKNIFPIQEGDQHFKHMLRHLAIAHC-DAADP-----------ISRYAREELGKPSVRQADQVVVTGQLTED----MLHLAEIGGGRVTVILAKEKDAELSQAENVMIERMMKRQIRVRIMRGGRVSRVV--- 5AYC Chain:A ((1-386)) MIHE--------KYTEMRNEQEALLSRKNTKTSF--------------YNGIYDRYEHPV------LTREHIPLHWRYDLN---KETNPFFQERLGINAVFNAGAIKLNDRYCLVARVEGN----DRKSFFAVAESDKGTEGF---RFRQYPVC-LPALT-----DDETNVY--DMRLTQHEDGWIYGVFCVEKSAGTADLS--EAVASAGIARTKDLTNWERLPDLVTLRSPQQRNVTLLPEFVDGKYAFYTRPMDGFIETGSGGGIGFGLADDITHAVIDEERMTSIRRYHTITESKNGAGATPIKTERGWLNIAHGVRNTAAGLRYVIYCFVTDLSEPWKVIAEPGGYLIAPFKDERVGDVS----NVVFTNGAIVDDNGDVYIYYAS-SDTRLHVAVSS-IDKLLDYAFNTPADAL--RTAECVKQRCDLIKRNIELL

General information: TITO was launched using: RESULT: Template: 5AYC.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 : 1761 -103528 -58.79 -302.71 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -58.79 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.130

(partial model without unconserved sides chains): PDB file : Tito_5AYC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYC-query.scw PDB file : Tito_Scwrl_5AYC.pdb: