Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVRRPTMSFAFWSRLKALVRKETKQLLRDKGSLGIGLVLPVILILLFGYGLSFDLNQARVGVVVDQSSPQVNQVLAGLNGSRYLTSL-EFRNLPEAEQAIRNGKIDAILHLPSDFANQVQQGN-AKVQL--LLNGRSTTIATALEGYVAGALATAPSIQIDRSPILASASAVKIEQRIWFNESGNSTWFLVPGLMILILTLIGAFLTGLLIARERERGTLEALFVTPVRPFEIVLAKLIPYVVVGMIDIVICIVAAHFIFEVPMRGSLFSILFASFLYLIVSLLLGLTISGFAQSQFQASQIALLASFMPALMLSGFVFDTRNLPLVVQIISQLLPATHFMVLIKTLFMGGDDWKLWFKECGILLGYIVVLICAVNFSLKKRLR 3CNI Chain:A ((11-105)) ----------------------------------------------------------QKVAIVREDTGTIAELAEKALG--NMVDIVYAGSDLKEAEEAVKKEKAPAIIVIPKGFSQSLESGEKARLEIVWYLRGTGL-SEAVSTGTISSLIESL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CNI.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 : 380 -14560 -38.31 -159.99 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -38.31 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_3CNI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CNI-query.scw PDB file : Tito_Scwrl_3CNI.pdb: