Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRMRHKPWADDFLAENADIAISNPADYKGKWNTVFGNDNPIHIEVGTGKGQFISGMAKQNPDINYIGIELFKSV---IVTAVQKVKDSEA-----QNVKLLNIDA-DTLTDVFEPGEVKRVYLNFSDPWPKKRHEKRRLTYSHFLKKYEEVMGKGGSIHFKTDNRGLFEYSLKSFSEYGLLLTYVSLDLHNSNLEGNIMTEYEEKFSALGQPIYRAEVEWRT 2VDU Chain:E ((63-211)) -------------------------------------------DIGCGFGGLMIDLSPAFPEDLILGMEIRVQVTNYVEDRIIALRNNTASKHGFQNINVLRGNAMKFLPNFFEKGQLSKMFFCFPDP---------RIITNTLLSEYAYVLKEGGVVYTITDVKDLHEWMVKHLEEHPLF-----------------------------------------

General information: TITO was launched using: RESULT: Template: 2VDU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 471 -8769 -18.62 -73.07 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain E : 0.67 3D Compatibility (PKB) : -18.62 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_2VDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VDU-query.scw PDB file : Tito_Scwrl_2VDU.pdb: