Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MSMLALISPAKT-LDYETALP--TDEFTQPRLLEHSAQLIDVCRKLSASEIA------------SLMSVSEKIA---------TLNADRFRDWKPEFD-----FSNARQAIYAFKGDVYTGLDAYHL--KDKDIDFAQQHLRMLSGLY-----------GLLRPLDLMMP-YRLEMGTKLKNTHGHNL----YEFWGDIITNQINEDLAAIKSELLVNLASDEYYKSVNE--KKIKAEIVKPVFLDQKNG----KYKVISFYAKKAR------------------------GLMARFIVENQLNKVEDIKAFNTEG------------YYFDADNSSAKELVFKRDEQ----------------- 5IWZ Chain:A ((4-397)) MPVRPDLQQLEKCIDDALRKNDFKPLLALLQIDICEDVKIKCSKQFLRKLDDLICRELNKKDIQTVSSILISIGRCSKNIFILGQAGLQTMIKQGLVQKMVSWFENSKEIILNQDEAVMNMIEDLFDLLMVIYDISDEGKNQVLESFIPQICALVIDSRVNFCIQQEALKKMNLMLDRINQEMLTLMSNMGERILDVGDYELQVGIVEALCRMTTEKRRQELAYEWFSMDFIANAFKEIKDCEFETDCRIFLNLVNGILGDKRRVYTFPCLSAFLGKYELQIPSDEKLEEFWIDFNLGSHTLSFYIEAVTVPEEKVQMYNIEVRESKKLLTLTLKNIVKISKKEGKELLFYFDESLEITNVTKKVFGGLEHH

General information: TITO was launched using: RESULT: Template: 5IWZ.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 : 1106 39085 35.34 150.91 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 35.34 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_5IWZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IWZ-query.scw PDB file : Tito_Scwrl_5IWZ.pdb: