Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDKTQKQTTKIVQFEQESYVDPKGKTLTSSLGVPVSDNQNSLKIGGRGPTLLEDFLLRDKLIHFDRERIPERVVHARGFGAHGYFEAYKGNEKWTKAHFLTDTTQSTPIFVRISTVQGGRGSADVVRDVRGFSIKFYTQEGNYDLVGNNIPVFFIQDAIKFPDFVHAVKPEDPNEVPTGQSAHDTFWDFISLNTETAHMTTWVMSDRAIPRNLRSIQGFGVHTFRLINAQGKAHLVKFHWTPKQGVAQVVWDEALKLNGKDPDFHRRDLWDAIENGNYPEWELGAQIFTEEEASEWDFDVLDPTKLVPEELVPVTPLGRFVLNRNTDDFFAETEQVAFSPANIVSGIDFSNDPLLQGRLFSYTDTHLHRLGTANFNQIPINKPVCPFHTNRRGGFANHEVYKGKANYEPNSVGDNWPREV--GQKEGGFSSYPEHVEASKLRIRPESFADHFSQATLHYMSLEKHEQQHIKDAYAFELSKVQDEEIRQRVVDHVLVNIDEDLATCVANELGLKPS-----VKPESKKQSKVKISKKLSTEAFPAPDIKQRKIAVLVHDGANATSVDAVRAWAESENAVAEVLAPTTAPVKSKDGKEITVDGRQNGEPSVTYDAIVVIDGDNLEAFKADGVAKHYVLETYKHLKSIYLLGDKESLLEYFGI--EQDNAIFSSKNFE-EHQDKFKKAIQNHRLWSRENVVASIPA 4ENS Chain:D ((79-753)) --------------------------ALTTNQGVRIADDQNSLRAGSRGPTLLEDFILREKITHFDHERIPERIVHARGSAAHGYFQPYKSLSDITKADFLSDPNKITPVFVRFSTVQGGAGSADTVRDIRGFATKFYTEEGIFDLVGNNTPIFFIQDAHKFPDFVHAVKPEPHWAIPQGQSAHDTFWDYVSLQPETLHNVMWAMSDRGIPRSYRTMEGFGIHTFRLINAEGKATFVRFHWKPLAGKASLVWDEAQKLTGRDPDFHRRELWEAIEAGDFPEYELGFQLIPEEDEFKFDFDLLDPTKLIPEELVPVQRVGKMVLNRNPDNFFAENEQAAFHPGHIVPGLDFTNDPLLQGRLFSYTDTQISRLGGPNFHEIPINRPTCPYHNFQRDGMHRMGIDTNPANYEPNSINDNWPRETPPGPKRGGFESYQERVEGNKVRERSPSFGEYYSHPRLFWLSQTPFEQRHIVDGFSFQLSKVVRPYIRERVVDQ-LAHIDLTLAQAVAKNLGIELTDDQLNITPPPDVNG-LKKDPSLSLYAIPDGDVKGRVVAILLNDEVRSADLLAILKALKAKGVHAKLLYSRMGEVTADDGTVLPIAATFAGAPSLTVDAVIVPCG-NIADIADNGDANYYLMEAYKHLKPIALAGDARKFKATIKIADQGEEGIVEADSADGSFMDELLTLMAAHRVWSRIPKIDKIPA

General information: TITO was launched using: RESULT: Template: 4ENS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 3604 8433 2.34 12.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : 2.34 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4ENS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ENS-query.scw PDB file : Tito_Scwrl_4ENS.pdb: