Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------MAEQDGQKLFLKRNSN----------PFIAALSAEGI-VPKLVWTKRIETGEVVTAQHWKNGRE-----LSSNEMKQTRVAHLLKKIHNSRPLLSMLKRMEMEPITPEIMLNKINASLSR---------EVLTHHIVRKSLTYLEEHIPSLDSRFFTVVHGDVNHNNWLLSDRDELFLVDWEGAMIADPAIDIGMLLYNY---VPQQQWSEWLETYGVQESLNLNKRMKWYTVIQSIGLVQWYEEQKRYKDMNTWLKFLNEVMNSNMFI 1ND4 Chain:A ((10-264)) GSPAAWVERLFGYDWAQQTIGCSDAAVFRLSAQGRPVLFVKTDLSGALNELQDEAARLSWLATTGVPCAAVLDVVT-EAGRDWLLLGEVPGQDLLSSHLAPAEKV-SIMADAMRRLHTLDPAT------CPFDHQAKHRIERARTRMEAGLVDQDDLDEEHQGLAPAELFARLKARMP--DGEDLVVTHGDACLPNIMVENGRFSGFIDCGRLGVADRYQDIALATRDIAEELGGEWADRFLVLYGIAAPD--SQRIAFYRLLDEFF-------------------------------

General information: TITO was launched using: RESULT: Template: 1ND4.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 : 729 15822 21.70 79.91 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 21.70 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_1ND4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nd4-query.scw PDB file : Tito_Scwrl_1ND4.pdb: