Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNTIFLQRVADLYDTFKQHDSQQSDRLQRYRNIEVESAQLISQLIRMQQAKSILEIGTSTGYSTLWLAEAAQATGGQVITVEIDAKRSAEAKRHVAELELSEIVQFWVGDAADYLKAA-----QEKFDFILLDAERDAYENYWPDLKRLMKPKGGVLVVDNVIS------------HAAEVNRFIALIKKDPDYMSSILPVGAGLCLVVTK 3R3H Chain:B ((40-220)) -----------------------------ANMQVAPEQAQFMQMLIRLTRAKKVLELGTFTGYSALAMSLALPD-DGQVITCDINEGWTKHAHPYWREAKQEHKIKLRLGPALDTLHSLLNEGGEHQFDFIFIDADKTNYLNYYELALKLVTPK-GLIAIDNIFWDGKVIDPNDTSGQTREIKKLNQVIKNDSRVFVSLLAIADGMFLVQPI

General information: TITO was launched using: RESULT: Template: 3R3H.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 : 752 -56184 -74.71 -342.59 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -74.71 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_3R3H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R3H-query.scw PDB file : Tito_Scwrl_3R3H.pdb: