Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNKMKNHKITKLGGLNNSNYLLECEN----------NKYVLRIPSKDNK--NNFSEENFVLIFANLNKLSPPIIYHNKDNGILISKFLEDSKVNMSTFTSLEFLEKLSINLRKLHILKCEH--I--FN----PFEHIRKNFHILKSKNF------NFHQDIDLVLNKLNILEEK---LSKNMTIGLCHNDLNSSNVLYYNKNVLFIDFEFSAMCDIFFDLATVSW-M-L------------------DEKKRYFLIKSYFGYYS-----Y-----ELMEKLENYLFVVKLWNASWSFLKSLNT-----NSTYDYKLGGNMIIDDLLSTL 3C5I Chain:D ((35-350)) -----NLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKIAPQLLNTF--NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLDKVVPTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQTKSYNEFDFFLYAEQRLK---------

General information: TITO was launched using: RESULT: Template: 3C5I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 896 -31741 -35.43 -127.99 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : -35.43 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.393

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: