Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSELKQDQYWMQQAIELAKRGLYSTKPNPNVGCVIVKDNQVIGEGFHPRAGQPHAEVFALRQAGEQAQGATAYVTLEPCAHYGRTPPCAEALVKAQVKKVVVACPDPNPLVAGKGVQILKNAGIEVEIGICEDLAAQLNQGFLKAMSSGMPYVRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIETVIADDCQLNVRPLHNVDIETVAQPKRVILDRRGRLPLTAKILEN---PETVMVMGPYRQE----LADLGV--IQLEIQPLKT--LLQTLSKQYQIYDVLIEAGATLSSAFLQEGLIDEMISYVAPTLLGQS-ARAMFNAD-FEYMAQQLRFKLLDVTQLDQDIRLRLIPTQEKV 4G3M Chain:A ((14-372)) ------EEYYMKLALDLAKQGEGQTESNPLVGAVVVKDGQIVGMGAHLKYGEAHAEVHAIHMAGAHAEGADIYVTLEPCSHYGKTPPCAELIINSGIKRVFVAMRDPNPLVAGRGISMMKEAGIEVREGILADQAERLNEKFLHFMRTGLPYVTLKAAASLDGKIATSTGDSKWITSEAARQDAQQYRKTHQSILVGVGTVKADNPSLTCR-LPNV----TKQPVRVILDTVLSIPEDAKVICDQIAPTWIFTTARADEEKKKRLSAFGVNIFTLETERIQIPDVLKILAEE-GIMSVYVEGGSAVHGSFVKEGCFQEIIFYFAPKLIGGTHAPSLISGEGFQSMKDVPLLQFTDITQIGRDIKLTAKPTK---

General information: TITO was launched using: RESULT: Template: 4G3M.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 : 1833 -116515 -63.57 -336.75 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -63.57 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4G3M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G3M-query.scw PDB file : Tito_Scwrl_4G3M.pdb: