Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTL-PKDFIFGGATAAYQAEGATHTDGKGPVAWDKY------LEDNYWYTAEPASDFYNRYPVDLKLAEEYGVNGIRISIAWSRIFPTGYGQVNAKGVEFYHNLFAECHKRHVEPFVTLHHFDTPEALHSNGDFLNRENIEHFVDYAAFCFEEFPE-VNYWTTFNEIGPIGDGQYLVGKFPPGIQYDLAKVFQSHHNMMVSHARAVKLYKDKGYKGEIGVVHALPTKYPLDHENPADVRAAELEDIIHNKFILDATYLGRYSAETMEGVNHILSVNGGSLDLREEDFTALEAAKDLNDFLGINYYMSDWMEAFDGETEIIHNGKGKKGSSKYQIKGVGRRVAPDYVPRTDWDWIIYPQGLYDQIMRVKKDYPNYKKIYITENGLGYKDEFVDN-TVYDDGRIDYVKQHLEILSDAIADGANVKGYFIWSLMDVFSWSNGYEKRYGLFYVDFET-QERYPKKSAHWYKKVAETQIID 4PTX Chain:A ((5-445)) ---IIFPEDFIWGAATSSYQIEGAFNEDGKGESIWDRFSHTPGKIENGD--TGDIACDHYHLYREDIELMKEIGIRSYRFSTSWPRILPEGKGRVNQKGLDFYKRLVDNLLKANIRPMITLYHWDLPQALQDKGGWTNRDTAKYFAEYARLMFEEFNGLVDLWVTHNEPWVVAFEGHAFGNHAPGTK-DFKTALQVAHHLLLSHGMAVDIFREEDLPGEIGITLNLTPAYPAG-DSEKDVKAASLLDDYINAWFLSPVFKGSYPEE----LHHIYEQNLGAFTTQPGDMDII--SRDI-DFLGINYY----------SRMVVRHKPGDNLFNAEVVKMEDR-------PSTEMGWEIYPQGLYDILVRVNKEYTD-KPLYITENGAAFDDKLTEEGKIHDEKRINYLGDHFKQAYKALKDGVPLRGYYVWSLMDNFEWAYGYSKRFGLIYVDYENGNRRFLKDSALWYREVIE-----

General information: TITO was launched using: RESULT: Template: 4PTX.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 : 2502 116365 46.51 269.99 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 46.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.585

(partial model without unconserved sides chains): PDB file : Tito_4PTX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PTX-query.scw PDB file : Tito_Scwrl_4PTX.pdb: