Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYDVTEWKHVFKLDPNKDLPDEQLEILCESGTDAVIIGGSDGVTEDNVLRMMSKVRRFLVPCVLEVSAIEAIVPGFDLYFIPSVLNSKNADWIVGMHQKAMKEYGELMSMEEIVAEGYCIANPDCKAAALTEADADLNMDDIVAYARVSELLQLP----IFYLEY-SGVLGDIEAVKKTKAVLETSTLFYGGGIKDAETAKQYAEHADVIVVGNAVYEDFDRALKTVAAVKGE 4NAF Chain:A ((3-227)) --EIRAWRHVFKLDPNKPIDDERLERLCESGTDAVIVG---GVTIDNVLDLLARIRRFSVPCALEVTDVEALTPGFDVYLVPIVLNSRQAEWIIGRHHEAVKQYGDMMNWDEIAAEGYCILNPECKAAKLTRADTELDVDDIVAYAR----LAEHLYKLPIFYLEYSGVYGDPSVVDKVKQALDQTQLFYGGGITTPEQAEHMARYADTVVVGNAIYDAFEQALATVAAVK--

General information: TITO was launched using: RESULT: Template: 4NAF.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 : 1144 -166984 -145.97 -769.51 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -145.97 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.640

(partial model without unconserved sides chains): PDB file : Tito_4NAF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NAF-query.scw PDB file : Tito_Scwrl_4NAF.pdb: