Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSIKLFSVLSDQF--QNNPYAYFSQLREEDPVHYEE----------SIDSYFISRYHDVRYILQHPDIFTTKSLV-E-RA----E---PVMRGPVLAQMHGKEHSAKRRIVVRSFIGDALDHLSPLIKQNAENLLAPYLERGKSDLVNDFGKTFAVCVTMDMLGLDKRDHEKISEWHSGVADFITSISQSPEARAHSLWCSEQLSQYLMPVIKERRVNPGSDLISILCTSEYEGMALSDKDILALILNVLLAATEPADKTLALMIYHLLNNPEQMNDVLADRSLVPRAIAETLRYKPPVQLIPRQLSQDTVVGGMEIKKDTIVFCMIGAANRDPEAFEQPDVFNIHREDLGIKSAFSGAARHLAFG-SGIHNCVGAAFAKNEIEIVANIVLDKMRNIRLEEDFCYAESGLYTRGPVSLLVAFDGA 3IVY Chain:A ((25-427)) ------GFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVEQVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNED--PEYA--HIDPKASSAELIGYAMKMAEEK-------IVTQLIQAD--GEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQWE-LYKKV-RPETAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNP----------NPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISA-PERLRSGWLNGIKHWQVDYTG-

General information: TITO was launched using: RESULT: Template: 3IVY.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 : 1860 21613 11.62 58.10 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 11.62 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_3IVY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IVY-query.scw PDB file : Tito_Scwrl_3IVY.pdb: