Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNTIFLQRVADLYDTFKQHDSQQSDRLQRYRNIEVESAQLISQLIRMQQAKSILEIGTSTGYSTLWLAEAAQATGGQVITVEIDAKRSAEAKRHVAELELSEIVQFWVGDAADYLKAA------QEKFDFILLDAERDAYENYWPDLKRLMKPKGGVLVVDNVISHA------------------AEVNRFIALIKKDPDYMSSILPVGAGLCLVVTK 5KVA Chain:B ((91-277)) ------------------------------LMTTSADEGQFLNMLIKLIGAKKTMEIGVYTGYSLLATALALPE-DGTILAMDINRENYELGLPCIEKAGVAHKIDFREGPALPVLDDLIADEKNHGSFDFVFVDADKDNYLNYHDRLLKLVKLG-GLIGYDNTLWNGSVVLPDDAPMRKYIRFYRDFVLVLNKALAADERVEICQLPVGDGVTLCRRV

General information: TITO was launched using: RESULT: Template: 5KVA.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 : 742 -42160 -56.82 -258.65 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -56.82 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.629

(partial model without unconserved sides chains): PDB file : Tito_5KVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KVA-query.scw PDB file : Tito_Scwrl_5KVA.pdb: