Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MGLFTLKEVSHYLIEN-KNMAWSITMCLVAVLLTIF-ILNLILGLLVHFFDYSEPIWWHALSPYFIALLLFIMVWSVVTELYILRKGGHSLAKQLKARRLVKGESTPEEHAALK-ITEHLAQT-FSLNVPTLYVLPDEVGVNALTAGFHSNDIVIILTWGALQNLDELELYGLLGHEFNQILSGEAVENTKLKILYSGLTTFSQWGSKL---AKQGFKRYSPGYKHKFETVFVAVGGVIWLAGSLGVLITRFIKYLTLSGRTFRND-QKTMRLLKNSTNAQTLLRIYVHHSGSQIHSAYSESIAHMCFANS-L-SPQSWMNIHPSIRERIYELN-PTLLQDLQLENLKKLRNRPLFIL-FHVLEESETEIYTPWSSPQPL---PLLRLSPISFALNDAIKPLSSDIRRNKKRPELIQRALQTA--TGSREVMVAILMIRQYREFIPQDAPVSHAIVDALLNLDGRIHIQIFHDACKNIGHMPASIARQFLTKLALIIQEDGEIGLLDALLLERVKYELNLMPLHLPTAFEEVKPQIVRLIDALLHVQQ-INSPNQLEVRKRILRSLLNPDEMHIYDEISDEPLDL-AEILNDIAGLLLR--DRLSILAIVEMCLWSDRIITQDELDVLELLYWRFGFESDEIVEQMQKKNSVMII- 4JW1 Chain:A ((18-625)) VRFAGFYKDNDGGKFFIKKPGDPRELFTELFAGLLLKEFMKRGLI-----------DESYFPSL---------------ICADVIQFEDKSYGLIQPLVSFDELHKVIGQNKYFGLSMAL------MFSLLLGAHSV--------------HSGNIVVLN------------------------GEEKEKSKQFGRI---------DWGDRYFAHPNNNDNLYAKDY---------------------------FLNYKKING--LFPAMAEKARQLQSKLNPELLVKI-VTSALKNIPADLIDEKTKIQLAAYMCMDSFKEATFGTEGNCKDFAIAMATLLENR-LGKIAVLKLKPLTLLMTS--STSFSETINQWADILKTTDMEKFSFDSNPINLLELVKQFNLYVDELAITCEANNVWLFALYDNSGGEAIHGHAFVPYYK-----ESIVLRRLFTVDPNTFNLSRFAAFEGPCQLYCKEHKD---SAWVKIQTLLTLGNGI-INTLKIIKQAQ------AFGIDEAVTENLKALKEQFIAFQLAEADIKEPN---------------KESEFFYPIDEKALAKMN--GYQLATICLEELNSPKPSPLIERILSNKKFWKRINSAFESGVFKGRTDDPAGKIAKIREWHQLLQIS

General information: TITO was launched using: RESULT: Template: 4JW1.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 : 2193 -18056 -8.23 -36.85 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -8.23 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.215

(partial model without unconserved sides chains): PDB file : Tito_4JW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JW1-query.scw PDB file : Tito_Scwrl_4JW1.pdb: