Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKEKKSVTILTESQLSSRAFKDEAYEFYKELRKSQALYPLSLGALGKGWLISRYDDAIHLLKNEKLKKNYENVFTAKEKR--PALLKNEETLTKHMLNSDPPDHNRLRTLVQKAFTHRMILQLEDKIQHIADSLLDKVQPNKFMNLVDDYAFPLPIIVISEMLGIPLEDRQKFRVWSQAIIDFSDAPERLQENDHLLGEFVEYLESLVRKKRREPAGDLISALIQAESE-GTQLSTEELYSMIMLLIVAGHETTVNLITNMTYALMCHHDQLEKLRQQPDLMNSAIEEALRFHSPVELTTIRWTAEPFILHGQEIKRKDVIIISLASANRDEKIFPNADIFDIERKNNRHIAFGHGNHFCLGAQLARLEAKIAISTLLRRCPNIQLKGEKKQMKWKGNFLMRALEELPISF 3A4H Chain:A ((4-398)) -------TTTGTEQHDLFSGTFWQNPHPAYAALRAEDPVRKLALPD-GPVWLLTRYADVREAFVDPRLSKDWRHTLPEDQRADMPA------TPTPMMILMDPPDHTRLRKLVGRSFTVRRMNELEPRITEIADGLLAGLPTDGPVDLMREYAFQIPVQVICELLGVPAEDRDDFSAWSSVLVDDSPA----DDKNAAMGKLHGYLSDLLERKRTEPDDALLSSLLAVSDEDGDRLSQEELVAMAMLLLIAGHETTVNLIGNGVLALLTHPDQRKLLAEDPSLISSAVEEFLRFDSPVSQAPIRFTAEDVTYSGVTIPAGEMVMLGLAAANRDADWMPEPDRLDITRDASGGVFFGHGIHFCLGAQLARLEGRVAIGRLFADRPELALAVGLDELVYRESTLVRGLSRMPVTM

General information: TITO was launched using: RESULT: Template: 3A4H.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 : 1939 18575 9.58 47.39 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 9.58 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3A4H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A4H-query.scw PDB file : Tito_Scwrl_3A4H.pdb: