Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPY-NEHAHSYLDKQPAHY-RSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR 4NBU Chain:D ((9-232)) --------------------------SRLQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAV----EANPGVVFIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQG-KGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARK--GINVNAVAPGFTETAMVAEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASH-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NBU.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 : 1224 -98648 -80.59 -444.36 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.71 3D Compatibility (PKB) : -80.59 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_4NBU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NBU-query.scw PDB file : Tito_Scwrl_4NBU.pdb: