Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYIIL--EDQTR--LYYETHGSGTPILFIHGVLMSGQFFHKQ-FSVLSANYQCIRLDLRGHGESDKVLHGHTISQYARDIREFLNAMELDHVVLAGWSMGAFVVWDYLNQFGNDNIQAAVIIDQ-----SASDYQWEGWEHGPFDFDGLKTAMHAIQTDPLPFYESFI-------QNMFAEPPAE-TETEWMLAEILKQPAAISSTILFNQTAADYRGTLQNINVPALLCFGE-DKKFFSTAAGEHLRSNIPNATLVTFPKSSHCPFLEEPDAFNSTLLSFLDGVIGKS 4QES Chain:A ((1-275)) -PFITVGQENSTSIDLYYEDHGTGTPVVLIHGFPLSGHSWERQSAALLDAGARVITYDRRGFGQSSQPTTGYDYDTFAADLNTVLETLDLQDAVLVGFSMGTGEVARYVSSYGTARIAAVAFLASLEPFLLKTDDNPDGAAPQEF-FDGI---VAAVKADRYAFYTGFFNDFYNLDENLGTRISEEAVRNSWNTAASGGFFAAAAAPTTW---YTDFRADIPRIDVPALILHGTGDRTLPIENTARVFHKALPSAEYVEVEGAPHGLLWTHAEEVNTALLAFL-------

General information: TITO was launched using: RESULT: Template: 4QES.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 : 1402 -185183 -132.08 -723.37 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -132.08 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_4QES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QES-query.scw PDB file : Tito_Scwrl_4QES.pdb: