Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIVIVGGVAGGMSAATRLRRLMEDAEIVVFEKGPYVSFANCGLPYYLSGEISERENLLVQTPESLSARFCLDVRPNHEVTAIFPENKTVEVVHEGQKHIEQ--YDALVLSPGAKPVVPSIPGITEADNVFSIRNVPDIDKVMHALEKQPKRAV-IVGAGFIGLEMAENLKRRGLEVMVIEQAPHILPTLDEEMAAFIEKELSHQGVEVITSHAVAGFEDHGKRLRLD-DGRTIPADLVILSIGVRPDNQLAVTAGIELGIRGGILVDERYQTNIPDIYAVGDAIVVKQQITGKDALISLASPANRQGRQVADTISGISRRNQGGIGTAIIRTFGMTAASTGLSERTAKENELSFEVIHVSGKDHASYYPEATDILLKLIFHPETGEIYGAQGVGAKGVDKRIDILATAIKGHLTIFDLPELELTYAPPFGSAKDPVNMLGYAAMNIAEGLSETVQWHELPTELAKGKILLDVRTAEELEKGKFKEAKHIPLNELRDRLNELDSQQEYIVSCHSGLRSYLAERILKQSGYHVKNLDGAFSLYQTVRPEELIYPNK 3CGD Chain:B ((37-472)) MNYVIIGGDAAGMSAAMQIVRNDENANVVTLEKGEIYSYAQCGLPYVISGAIASTEKLIARNVKTFRDKYGIDAKVRHEVTKVDTEKKIVYAEHTKTKDVFEFSYDRLLIATGVRPVMPEWEG-RDLQGVHLLKTIPDAERILKTLETNKVEDVTIIGGGAIGLEMAETFVELGKKVRMIERNDHIGTIYDGDMAEYIYKEADKHHIEILTNENVKAFKGNERVEAVETDKGTYKADLVLVSVGVKPNTDFLEGTNIRTNHKGAIEVNAYMQTNVQDVYAAGDCATHYHVIKEIHDHIPIGTTANKQGRLAGLNMLDKRRAFKGTLGTGIIKFMNLTLARTGLNEKEAKGLHIPYKTVKVDSTNMAGYYPNAKPLYLKLLYRSDTKQLLGGQVIGEEGVDKRIDVIAMALFNKMSIHDLEDVDLSYAPPYNSVWDPI----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CGD.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 : 2585 -14255 -5.51 -33.00 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -5.51 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3CGD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CGD-query.scw PDB file : Tito_Scwrl_3CGD.pdb: