Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVAYQKAGPITLPEALVDIELDTPVAKGHDLLIRVQAVSVNPVDTKIRKNVSAEQSGWKVLGWDAVGTVEAIGDKVT----QFKIGDVVWYAGALNRQGSNSELQLVDERIVGHKPKTLEATEAAALPLTAITAWEMLFDRLQVPKTAPANTTILVIGGAGGVGSITIQLLKQLTNLTIIATASRPETKEWVEQLGADYVLDHRQ---SLAAQIKLLG-LSAPLYVFSTTETDQHLSDIVELIAPQGHFGLIDDPDQLD--IKP--FKSKSV-SVHWEFMFTRSMFQTEDMEKQSALLNEVSKLVDEGKIKTTVTQVLSPINAENLTRVHEQIESGSTKGKIVLHGF 4RVS Chain:A ((2-328)) MHAIEVTETGGP---GVLRHVDQPQPQPGHGELLIKAEAIGVNFIDTYFRSGQYPR-ELPFVIGSEVCGTVEAVGPGVTAADTAISVGDRVVSAS---ANGAYAEFCTAPASLTAKVPDDVTSEVAASALLKGLTAHYLLKSVYPVK---R-GDTVLVHAGAGGVGLILTQWATHLG-VRVITTVSTAEKAKLSKDAGADVVLDYPEDAWQFAGRVRELTGGTGVQAVYDGVGA-TTFDASLASLAVRGTLALFGAASGPVPPVDPQRLNAAGSVYLTRPSLF---HFT-RTGEEFSWRAAELFDAIGNEAITVAVGGRY-PL--ADALRAHQDLEARKTVGSVVLL--

General information: TITO was launched using: RESULT: Template: 4RVS.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 : 1837 -41210 -22.43 -131.24 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -22.43 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4RVS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RVS-query.scw PDB file : Tito_Scwrl_4RVS.pdb: