Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MWQQLITWLKQLSFLVKKEFLTIFSDPAN--RAILFVPALMQALLSGYAAT-----YDVNHVDYAILDQSNGQISHELISKLDG-SGIFKR-----------------VATLEYTEQIKQVTDNRQALLIIAIPNDFES-KLNN-NQSAPIQ----VIVDGRNSSTAMVA----------GSYLNKIIGQFNQ-QKFNSALPISL--ETRTWYNPNQESRWSLMPALIAALSMMQTLLLS-ALSVA-REREQ-GTFDQLLVTPYTPLQIMIGKALPPIFVGLMQSTIILLIILF--WFKIPMNGSIGLLYFGLFSFNVAVVGVGLSISALSLNMQQAMLFTFLLIMPL-ML-LSGLLTPVEN-MPKALQVATYANPLRFGINLVQRVYLEGASF-----AQVKLNFLPMIVLGIVTL-PLAAWLFRNRLS--------------------------------------------------------------------------------------------- 2O1S Chain:A ((3-620)) FDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPALPSYSKIFGDWLCETAAKDNKL--MAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVT-FAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGI-VGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA

General information: TITO was launched using: RESULT: Template: 2O1S.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 : 2089 -42201 -20.20 -114.68 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -20.20 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.199

(partial model without unconserved sides chains): PDB file : Tito_2O1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O1S-query.scw PDB file : Tito_Scwrl_2O1S.pdb: