Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRNQMKIALLVGLAIVCIGLFLFYDLGNWDYTLPRRIKKVAAIVLTGGAIAFSTMIFQTITNNRILTPSILGLDSLYMLIQTGIIFLFGSANMVIMNKNINFIISVLLMILFSLVLYQIMFKGEGRNIFFLLLIGIVFGTLFSSLSSFMQMLIDPNEFQVVQDKMFASFNNINTDLLWLAFIIFLLTGVYVWRFTKFFDVLSLGREHAVNLGIDYDKVVKQMLIVVAILVSVSTALVGPIMFLGLLVVNLAREFLKTYKHSYLIAGSVFISIIALVGGQFVVEKVFTFSTTLSVIINFAGGIYFIYLLLKENKSW 1JCU Chain:A ((1-208)) --------------------MLIRKITRKNPS-PDVLEEAISVMEGGGIVIYPTD-----------TIYGLGVNA------------------------------------LDEDAVRRLFRVKGRSPHKPV---SICVSCVDEIPRFSRPS--GDAMELMERI-------------LPGPYTVVLER------NELIPDVITGGSSRVGIRVPDDEICRRIAAR--FPVTATSANIS-----GKPPSPRLEEIVRDLDAVDLV-------LDAGDCLDMEPSTVIDLTVNPPRVLR-RGKGPLDPVLLRGAGDV

General information: TITO was launched using: RESULT: Template: 1JCU.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 : 885 -128339 -145.02 -617.01 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -145.02 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_1JCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JCU-query.scw PDB file : Tito_Scwrl_1JCU.pdb: