Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIISSGNDYRAAAQRRLPPFLFHYIDGGAYAEYTLKRNVQDLSEIALRQRVLNDMSALSLETKLFNETLSMPVALAPVGLTGMYARRGEVQAAMAADKKGIPFTLSTVSVCPIEEVAPAI-NRPMWFQLYVLRDRGFMRNALERAKAAGCSTLVFTVDMPVPGARYRDAHSGMSGPNAAMRRY--MQSVFHPHWSWNVGLMGRPHDLGNISKYLGKPTGLEDYIGWLGSNFDPSISWKDLEWIREFWDGPMVIKGILDPEDAKDAVRFGADGIVVSNHGGRQLDGVMSSARALPAIADAVKGDLAILADSGIRNGLDVVRMLALGADTVLLGRAFVYALAAAGGQGVSNLLDLIDKEMRVAMTLTGAKSISDINTDCLVQAIKQGL 2NLI Chain:A ((11-360)) IDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRAWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAGTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDILDEAKSDGATAIILTADST---NRD--------YPFGMPIVQRYLRG-------------------------TAEGM---------YGASKQKISPRDIEEIAGHSGLPVFVKGIQHPEDADMAIKRGASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGLDLF-------

General information: TITO was launched using: RESULT: Template: 2NLI.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 : 2056 -90878 -44.20 -274.56 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -44.20 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_2NLI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NLI-query.scw PDB file : Tito_Scwrl_2NLI.pdb: