Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRD--CWDVFKYDDVQFVLKNPKLFSSKR------------GIQTESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQ-AEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPV-QAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK 3A50 Chain:B ((22-398)) -------------------------------PHPAYAALRAEDPVRKLALPDGPVWLLTRYADVREAFVDPRLSKDWRHRLPEDQRADMPATPTPMMILMDPPDHTRLRKLVGRSFTVRRMNELEPRITEIADGLLAGLPTDGPVDLMREYAFQIPVQVICELLGLPAEDRDDFSAWSSVLVDDSPADDKNAAMGKLHG----------YLSDLLERKRTEPDDALLSSLLAVSDMDGDRLSQEELVAMAMLLLIAGHETTVNLIGNGVLALLTHPDQRKLLAEDPSLISSAVEEFLRFDSPVSQAPIRFTAEDVTYSGVTIPAGEMVMLGLAAANRDADWMPEPDRLDITRDASGGVFFGHGIHFCLGAQLARLEGRVAIGRLFADRPELALAVGLDELVYRRSTLVRGLSRMPVTM---

General information: TITO was launched using: RESULT: Template: 3A50.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1817 -225252 -123.97 -623.97 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -123.97 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3A50.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A50-query.scw PDB file : Tito_Scwrl_3A50.pdb: