Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTWRKSYERWKQTEHLDLELKERLIELEGDEQALEDCFYKDLEFGTGGMRGEIGAGTNRMNIYTVRKASAGFAAYISKQGEEAKKRGVVIAYDSRHKSPEFAMEAAKTLATQGIQTYVFD--ELRPTPELSFAVRQL------NAYGGIVVTASHNPP---EYNGYKVYGDDGGQLPPKEADIVIEQVNAIE------NELTITVDEENKLKEKGLIKI------I-GEDIDKVYTEKLTSISVHPELS---EEVDVKVVFTPLHGTANKPVRRGLEA-LGYKNVTVVKEQELPDSNFSTVTSPNPEEHAAFEYAIKLG--------------EEQNADILIATDPDADRLGIAVKNDQGKYTVLTGNQTGALLLHYLLS-----EKKKQGILPDNGVVLKTIVTSEIGRAVASSFGLDTIDTLTGFKFIGEKIKEYEA--SGQYTFQFGYEESYGYLIGDFARDKDAIQAALLAVEVCAFYKKQGMS---LYEALINLFNEYGFYREGLKSLT-LKGKQGAEQIEAILASFRQNPP---QKMAGKQVVTAEDYAVSKRTLLTESKEEAIDLPKSNVLKYFLEDGSWFCLRPSGTEP---KVKFYFAVKGSSLEDSEKRLAVLSEDVMKTVDEIVESTAK 4QG5 Chain:A ((28-549)) ----------------------------------------------------------FQQPNYTANFVQSTFNALHRQG--AVPDVLVVGGDGRYYTSEAVQVILKVSAANGVRCVWVGQHGLLSTPAVSTMVRRRRDADGRKATGAFILTASHNPGGPDADFGIKYNSENGGPAPEKLTSQIYEETVKITHIKMAPTLPEVD-I-----HTLGTYTFDDYNFQVEVVDSLADYAAYMQEVFDFEAIRALVQRLDFKVHVDSLHGVSGPYVDRIFHEGLGVPK--TSLFRTNVLPDFGGC-HPDPNL-TYAADLVHVMGLLPDGNANPAMKHISTVPSFGVAFDGDADRNMILGC---R--FFVNPSDSLAVLAANADCVPFFTQSS-SSG---LKAVARSMPTSGAVDRVAAAHDFALFEVPTGWKFFGNLMDSKDLYGGKDFNPLLCGEESFGTGS-NHIREKDGIWASLFWLSVIAKRNAPGTPLVGVQQIVEEHWATYGRNYYSRYDYEDVSAEA----AKAVMDTVENTVVDDVPNLNGVACKTIDNFSYT---DPID-----GSVSTKQGVRVLFEDGSRFVLRLSGTGSSGATIRLYLEQYMDSAT--------------------------

General information: TITO was launched using: RESULT: Template: 4QG5.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 : 2619 -170388 -65.06 -368.01 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -65.06 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_4QG5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QG5-query.scw PDB file : Tito_Scwrl_4QG5.pdb: