Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTDWWKDAVVYQIYPRSFQDSNGDGIGDLRGIISRLDYIKELGADVIWICPIYPSPNVDYGYDVTNHKAIMDSYGTMDDFHELLDQVHQRGLKLVMDFVLNHTSVEHPWFKEAELDKNSKYRSYYYWRPGTKNGPPTDWLSNYGCPVWQYEEHTGEYYLHMNAVKQADLNWENPEVRQAVYDMMKFWLDKGVDGLRIDQLHLISKKEYLPSYEDYINQQAEPKPFQPNGERIHDYLKEITDEVFSHYDVMSVGEVGSVTPEEGLKYTGTDKHELNMIFHFQHMELDQQPGKEHWDLKPLELSDLKSVLTKWQKKL-EHQGWNTLFWCNHDQPRIVSRFGDDGEYRKASAKMLAAVIYFMKGTPYIYQGEEIGMTNAPFTRIEDYKDIQTINMYHKRVFEKGYDPNDVMRSILAKSRDHARTPMQWNSGKNAGFTDGTPWLKVNPNFTAINVEEAQGDPDSVLNYYKKLISLRKQYADL-MKGSFDLLLPDDPQLFVYMRENSKQQLLSVNNFSKEQAVFQWPKNCGKAQASLLLSNYNNDDLDDEMVFRPYESRVYLLDKTN 4AIE Chain:A ((4-540)) --ASWWKNAVVYQVYPKSFQDSNGDGIGDLQGIISRLDYLEKLGIDAIWLSPVYQSPGVDNGYDISDYEAIDPQYGTMADMDELISKAKEHHIKIVMDLVVNHTSDQHKWFVEAKKGKDNQYRDYYIWRDPVDEHEPNDLKSAFSGSAWKYDERSGQYYLHFFADQQPDLNWQNTELRQKIYNMMNFWLDKGIGGFRMDVIELIGKDPDKN--------------IRENGPMLHPYLQEMNKATFGKRDVMTVGETWNATPKIAEEYSDPDRHELSMVFQFENQSLDQQPGKEKWDLKPLDLGELKKVLVKWQTKIDFDHAWNSLFWENHDIPRVISRWGNDQEYRVQCAKMFAIILHMMHGTPYIFNGEEIGMTNCPVKNIDEVEDIESINMYNERLA-EGYDEEELIHAINVKGRDNARRPMQWNDEKNAGFSEVDPWLSVNPNYKDINVENALADPNSIFYTYQKLIKLRHEN-PIVVDGDFSLVSNTQDAVLAYYRILNDKKWLVVANLSNEEQNFVSNDQ-----IETILSNYPERNNVQNITLKPYEAFISKVI---

General information: TITO was launched using: RESULT: Template: 4AIE.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 : 3138 -180672 -57.58 -337.70 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -57.58 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_4AIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AIE-query.scw PDB file : Tito_Scwrl_4AIE.pdb: