Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSDFLNKRFWKYRGKRIRPYMRNNVKLAGAIIFVPVFLLSMFLFWREQLIHFDLSQVIKNFEWNVPLIIKSVLCSVLIAVGSIVASYFLLFDSYKKILHRQKIAKMIFSNKFYEKENVKVRKIFSNETDSKEKITYFPRMYYQVKNNHIYIRIAMDMSRFQNRFLDLGKDLENGLFCDLVDKQMEEGFVCFKLLYDVKKNRISIDDAVAENGVLPLMKHISWQFD---KLPHMLIAGGTGGGKTYFMLTIIKACVGL----GADVRILDPKNADLADLEEVLP--KKVYSQ--KNGILMCLRKSVDGMMERMDEMKQ--MSNYKTGENYAYLGLKPVFIFFDEYVAFMDLLDMKERNEAL-SYMKQLVMLGRQAGYFLVLGAQRPDAKYLADGIRDQFSFRVSLGLMSDTGYGMMFGDVEKAY-VNKKETGRGYANVGTGSVLEFYSPIVPKGYDFMSSI-----KNALVGVEGAQATAVASGSVSDQTASGEGVSEANG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4NH0 Chain:A ((246-1147)) SANMTLTSLLHIDNPYNLDPAVLWRPRPQRNRLRVPIGLDADGRPLELDIKESAQGGMGPHGLCIGATGSGKSELLRTLVLALAMTHSPEVLNFVLVDFKGGATFLGMEGLRHVSAIITNLEEELPLVDRMYDALHGEMVRRQEHLRHSGNYASLRDYEKARMEGAPLPPMPTLFIVLDEFSELLSAK------PDFAELFVMIGRLGRSL-GVHLLLAS------QRLEEGKLRGLDTHLSYRIGLRTFSAMESRVV----------LGVPDAYELPPSPGNGYLKFATE----PLVRFKAAYVSGPVDEESESLFDVVVRQLAGHGP------EPHQIWLPPLDVPPTLDELL--PPLSPSAAHGYTA-----DGWEWRGRLHAVVGLVDRPFDQRRDPYWLDLSGGAGHVGVAGGPQTGKSTMLRTLITSLALLHTPQEVQFYCLDFGGGTLAGLAE-LPHVGSVATRLDADRIRRTVAEVSALLEQREQEFTERGIDSMATYRRLRATGEYAGDGFGDVFLVVDNWLTLRQDYEALEDSITQLAARGLGYGIHVVLSSNK--WSEFRTSIRDLLGTKLELRLGDPYESEV---DRKKAANVPENRPGRGL---------------TRDGYHFLTALPRIDGDTSAETLTEGIATTVKTIREAWHGPTAPPVRMLPNVLPAAQLPSAAESGTRIPIGIDEDSLSPVYLDFNTDPHFLVFGDTECGKSNLLRLITAGIIERYTPQQARLIFIDYSRSLLDVATTEHQIGYAASSTAASSLVRDIKGAMEARLPPPDLTPEQLRSRSWWTGAELFLVVDDYEMVATSDNPLRPLAELLPQARDIGLHLIIARSMGGAGRALYEPIIQRIKEMASPGLVMSGNKDEGILLGNVKPHKLPQGRGYFVERRSGTRLIQTAYRES

General information: TITO was launched using: RESULT: Template: 4NH0.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 : 1893 -165669 -87.52 -395.39 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -87.52 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_4NH0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NH0-query.scw PDB file : Tito_Scwrl_4NH0.pdb: