Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLAGLSREVEENLNKGSWIRKLFDEGARLKKEFGEDQVFDFSLGNPI----VEPPEAFKRALIEEAE-KGSHGYIQNQGLLAAREKVAQFLGSRFEA-----DFSAERIVMTVGAGGALNVALKSIVNPGEEVIILAPYFAEYKLYIENYGGKAVSCPLTS--RFEIDIEAVRQSITPQTKGLILNTPHNPTGTVLSQKNIDDLGALLKEIEEKSGQTIYVLFDEPYSQLIYD-EELANP--FQSYHRVILASSFSKDLGIAGERLGYIGLDSR--MPDADLLINAFVYCNRTLGFVNAPVMMQRAVARMDDLRV-D------ASAYKERRDLMVDILKEA-GFEFEMPKGGFFVFPKSPIE------DEVAFCVHAAQKYKLLIVPSSGFGMSGHFRLSFSVPIEQIKNSRDIFISLYKDFA 4IX8 Chain:A ((48-442)) --------------RTLQPLNNLT--MKP---SRSTKSNLRLSIGDPTVDGNLKTPDIVTEAMVDVVRSGKFNGYPPTVGADNLRQVVSTYWRRFCQTKSRQEALKWENVIITSGVSQAIVLALTALCNEGDNILVCAPSFPHYKSVCDSYGIECRYYYLDPSKSWECDLRAAAGMVDSHTKAFVIINPSNPCGSNFSRAHVSDIIDFCQ------QHQIPLISDEIYAEMVLNNGIFTSVADFDTNVPRLILGGTAKYQVCPGWRVGWSILIDPMNVAGD--WAVGMERLTQ--LIAGVNSICQEAIARTLL-KCPTECTEHIVTQLEAGAKVYARLLEHDIGISMEAPQASMFVMLKLNLSYFQDLKSDMEFYEKLLDEENVQVLPGEIFGMSGFLRATVSRPSAVLNEAVDRIIEFCERH-

General information: TITO was launched using: RESULT: Template: 4IX8.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 : 2065 -245169 -118.73 -677.26 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -118.73 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4IX8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IX8-query.scw PDB file : Tito_Scwrl_4IX8.pdb: