Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDEKLTQRRIHTLDAALANQIAAGE-VIERPSSVVKELLENSIDAGATELIVRIAQGGSTLIEIIDNGHGIHPDDLPLAVMRHATSKIKTAEDLHAIVSLGFRGEALASIAAVSRLTLTSSQDESGIGHQVEVNGTAFDHQQVQAVAAQKGTHIRVQDLFFNVPARRKFLKK-PTTEFGHIEEIVRRLALTHFDIRFVLEHNDN--IRINLPIADSGELRFQRVQQLLGQQFVQNAYWIDAESI-NMRLSGWLGHPSD--ARAQADLQYVYVNGRIVKDKTISHALRMAYDGILHGHQHSSYLLFLEVDPENIDVNVHPTKHEIRFLNQREVHEFVRHYAKETLAQFQTASADLAQAMKVDDTQNLSVQPQPKYQEQFTLHRTAQAADTAVDKPNGYQPSTELLTDFNNSRPQSVHYAEQTPKYNGSAQLNNALKTYLAPLRDQPANFSVDESIEPVPKVDEFPLGIAIAQLHGIYILAQNTEGLIIVDMHAAHERILLKQMKNAWDKPEFWTSQQLLIPKVISISRMQAVRVEDLKPQLERLGLEIDLYGDEQVIVRGVPAILQKADFENLIPELLNDLDPNDEAQGLLQKRDELLAGMACHGAVRAHRQLSLSEMNALLRQMEQTEFASQCNHGRPTWRAFPLSQLDKLFARGE 1B63 Chain:A ((1-333)) ------SHMPIQVLPPQLANQIAAG-EVVERPASVVKELVENSLDAGATRIDIDIERGGAKLIRIRDNGCGIKKDELALALARHATSKIASLDDLEAIISLGFRGEALASISSVSRLTLTSRTAEQQEAWQAYAEGRDMNV-TVKPAAHPVGTTLEVLDLFYNTPARRKFL-RTEKTEFNHIDEIIRRIALARFDVTINLSHN--GKIVRQYRAVPEGGQKERRLGAICGTAFLEQALAIEWQH-GDLTLRGWVADPN-HTTPALAEIQYCYVNGRMMRDRLINHAIRQACEDKLGADQQPAFVLYLEIDPHQVDVNVHPAKHEVRFHQSRLVHDFIYQGVLSVLQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1B63.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 : 1655 18148 10.97 55.67 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 10.97 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_1B63.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B63-query.scw PDB file : Tito_Scwrl_1B63.pdb: