Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTRRPEIPADLRQWIAEMTGT-------DVVEVRQVPGGASRQAWFVDAGTG-----ARSRALFLRYDPREADPGSAFHPLQVEAEIMAELHRHGVTVPQVIAAHPTLQAVLLERVGGDTWFRLIQDPDEQVRTARDFIGKLAALHRIDAQHLTIPSLGPAGPVAGHVRAEIAAMRARLS-RY--------GK-------PAPLLAFCIDWLDRHVPDYDGPTVMVQGDTGPGNFMYSGGVVTAVVDWELAHFGDPMDDIAWLSLRTVQ-----------------DTFTDFPARLAEYEQLSGHR----------IDDDRVWYYRLFAETRLASISPGSIDTRASVPPASPDAGNSLIYGMLHRRLLVEALAHVVGIPEVDVELPPEGDADAPSEHSSVYEAAASAMSGAAARSTDALALRYVKGAARLVKYLAEVDRIGAVVDAQETAELTAVLGWAPRSVSQGRAALAELAGRGDLTDRDYVTQLWRGIKHDDYLTRTASGALARRTWPPLRHPVPPPSVEQGDRDRWVSPSPKTTVS 1NW1 Chain:A ((52-397)) -------LKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPET----ESHLVAESVIFTLLSERHLG-PKLYGIFS--GGRLEEYIPSRPLSCHE---ISLAHMSTKIAKRVAKVHQLEVPIWKEPD---------YLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVEL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NW1.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 : 1081 -14038 -12.99 -53.79 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -12.99 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: