Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYIDPNQPGSKVQFKSQYENFIGGEWVAPLKGEYFDNVSPVDGKAFTRIPRSSAEDIELALDAAHKAKA--SWNKYSPTTRSNILLKIADRLEANLEMLAVAETWDNGKAVRETLAADLPLAIDHFRYFAGCIRAQEGGISE--I----DEDTIAYHFHEPLGVVGQIIPWNFPILMAAWKLAPALAAGNCVVIKPAEQTPVGILLVAELIQD-ILPPGVLNIVNGFGAEVGRPLATSPRIAKIAFTGSTQTGQMVMQYATENIIPVTLELGGKSPNLFFEDIMDKEDDFLEKTLEGFAM-FALNQGEVCTCPSRALVQESIADQFLELAVERVKRIKTGHPLDTETMIGAQASLQQQEKILRCINTGREEGAELLLGGSGRKEVGDGFYVDPTIFKGH-NSMQVFQEEIFGPVLAVTTFKDFDDAIKIANDTMYGLGAGVWSRSAHISYRAGRAIEAGRVWTNCYNIYPAHAAFGGYKKSGIGRENHKMMLDHYQQTKNLLVSYSTKPMGFF 4O5H Chain:B ((27-510)) --------------LAKPKQMLIGAEWSDAASGRQLDVVNPADGTVIARVPEADERDVQQAVAAARRAFDAGPWRTAKTTDRERLMLVLADLIEANARELAEIESLDNGKPVMVAQGLDVAMAAQCFRYMAGWATKIEGSVIDAGMPYLPDSEIFAYTRKEPVGVVGAIIPWNFPLLMAAWKIAPALATGCTVVLKPAEDTPLSALRLGELIQAAGFPDGVVNIVTGYGHTAGAALSRDPRIDKIAFTGSTQTGKTIGHAALDNMTRMSLELGGKSPVIVLPDV------DLDKAAQGVANAIFFNQGQVCTAGSRAYIHSKVFDGVIERVAKIAASLKIGPGMDPATQIGPLVSAKQRERVCGYIDSGFGEGARAAAGGRAID--GPGFFVEPTVLVDTTQAMRVVREEIFGPVLVAMPFDDVDTAVQLANDTPYGLGASIWSNDLSAIHKLVPRIAAGTVWVNCHSLLDNALPFGGMKQSGFGRELGRAVIDQYTESKSVMMNY--------

General information: TITO was launched using: RESULT: Template: 4O5H.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 : 2956 -34404 -11.64 -72.73 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -11.64 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4O5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O5H-query.scw PDB file : Tito_Scwrl_4O5H.pdb: