Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHPYAPTLQRVLLFGLFFILIFLGFNILKYFIVPVLWAAIIAYMTWPIYLRIQHFFGENRNNLNATVMISLVILIVGVPFTCAIFILQHEGRNLYFDLQRQVFSGHLSVPDFIRNLPFIGKEISRTLNEINTDPNSTIQNIAAWVQSHLSYGRVLLNEISKNIVKLCFAILSLFFFYRDGHTILTQVSKALEMVIGPRIHHYLDTISETTRAVVYGVGLTAIAQAVLAGLSYFVAGVPNPMVLTIATFLLALIPFGTPVSYLGVGLWLFSQGQTMEAIGVILWGVLIVSSSDNVIRPLVISGATQIPFLLIMFGVLGGIASFGLVGLFIGPVILAVLLAIWREWLHETIDPEPMPKTTMIYDSDDDLPPSKN 5B66 Chain:J ((12-29)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IVATVAGMGVIVIVGLFF-------------------------------------------

General information: TITO was launched using: RESULT: Template: 5B66.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 2 -138 -69.00 -7.67 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain J : 0.40 3D Compatibility (PKB) : -69.00 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.40 QMean score : 0.006

(partial model without unconserved sides chains): PDB file : Tito_5B66.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B66-query.scw PDB file : Tito_Scwrl_5B66.pdb: