Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVL-IPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFV---EAFGRQCSEIAGCPVPIGS-----FLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFF--QLNGDPFLPLDHSL---FDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT 5AIA Chain:A ((3-222)) ----------------------------------TLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRP---MLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AIA.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 : 980 -30593 -31.22 -148.51 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -31.22 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.200

(partial model without unconserved sides chains): PDB file : Tito_5AIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5aia-query.scw PDB file : Tito_Scwrl_5AIA.pdb: