Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYDVTEWKHVFKLDPNKDLPDEQLEILCESGTDAVIIGGSDGVTEDNVLRMMSKVRRFLVPCVLEVSAIEAIVPGFDLYFIPSVLNSKNADWIVGMHQKAMKEYGELMSMEEIVAEGYCIANPDCKAAALTEADADLNMDDIVAYARVSE-LLQLPIFYLEYSGVLGDIEAVKKTKAVLETSTLFYGGGIKDAETAKQYAEHADVIVVGNAVYEDFDRALKTVAAVKGE 4NAF Chain:B ((3-227)) --EIRAWRHVFKLDPNKPIDDERLERLCESGTDAVIVG-----TIDNVLDLLARIRRFSVPCALEVTDVEALTPGFDVYLVPIVLNSRQAEWIIGRHHEAVKQYGDMMNWDEIAAEGYCILNPECKAAKLTRADTELDVDDIVAYARLAEHLYKLPIFYLEYSGVYGDPSVVEKVKQALDQTQLFYGGGITTPEQAEHMARYADTVVVGNAIYDAFEQALATVAAVK--

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 B - contact count / total energy / energy per contact / energy per residue : 1149 -176771 -153.85 -807.17 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -153.85 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.622

(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: