Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEIYPVPEEFKKTARTVEADYFKRYQHSIENPDEFWAEQAK-IVDWIKPFTQVKNTSFD---KDNFKIEWFADGELNVSANCLDRHLKEHPHKPAIIWEGDHPSRHKIVSYKELHDEVCRFANVLK-KYGIGKGDRVVLYMPMVTEAAIAMLACARIGAVHCVVFGGFSPDSLASRIEDSQAKLVITADSSLRAGKLLPLKENVDLALALPGTECVENVIVVYRNANPI-EMKLGRDLWYHLIIMEVDANCPPEPMKAEDPLFILYTSGSTGKPKGVLHTTGGYLVYVASTFKEVFDLKQDDVYWCTADVGWITGHSYLIYGPLANGTTTLMFEGVPQYPTWARLGHVVDKHKVSILYTAPTAIRAMMREGDSYVRESNRSSLRLLGSVGEPINPEAWNWYYNVVGEGRCPIVDTWWQTETGGILIAPLPGA-TALKPGSATRPLFGIQPAIVDGEGN--ELEGAAEGNLVIKDSWPGQMRTIWGDPDRFIEAYFSTFKNTYFTGDGARRDEDGYCWITGRVDDVLNVSGHRLGTAEIESALVSHEAVAEAAVVGMPHDIKGQGICTFVTLQAGVPESEELRKELISWVRKVLGPVASPDALHWAPALPKTRSGKIMRRILRKIAANELDSLGDTSTLAEPAVVDQLIATVYPDRQK 1RY2 Chain:A ((24-662)) -------------------QDYQRLHKESIEDPAKFFGSKATQFLNWSKPFDKVFIPDPKTGRPSFQNNAWFLNGQLNACYNCVDRHALKTPNKKAIIFEGDEPGQGYSITYKELLEEVCQVAQVLTYSMGVRKGDTVAVYMPMVPEAIITLLAISRIGAIHSVVFAGFSSNSLRDRINDGDSKVVITTDESNRGGKVIETKRIVDDALRET--PGVRHVLVYRKTNNPSVAFHAPRDLDWATEKKKYKTYYPCTPVDSEDPLFLLYTSGSTGAPKGVQHSTAGYLLGALLTMRYTFDTHQEDVFFTAGDIGWITGHTYVVYGPLLYGCATLVFEGTPAYPNYSRYWDIIDEHKVTQFYVAPTALRLLKRAGDSYIENHSLKSLRCLGSVGEPIAAEVWEWYSEKIGKNEIPIVDTYWQTESGSHLVTPLAGGVTPMKPGSASFPFFGIDAVVLDPNTGEELNTSHAEGVLAVKAAWPSFARTIWKNHDRYLDTYLNPYPGYYFTGDGAAKDKDGYIWILGRVDDVVNVSGHRLSTAEIEAAIIEDPIVAECAVVGFNDDLTGQAVAAFVVLK-----LQDIKKHLVFTVRKDIGPFAAPKLIILVDDLPKTRSGKIMRRILRKILA-------------NPGIVRHLIDSVK-----

General information: TITO was launched using: RESULT: Template: 1RY2.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 : 3740 25828 6.91 42.69 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : 6.91 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_1RY2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RY2-query.scw PDB file : Tito_Scwrl_1RY2.pdb: