Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKFMKSTAVLGTVTLASLLLVACGSKTADKPADSGSSEVKELTVYVDEGYKSYIEEVAKAYEKEAGVKVTLKTGDALGGLDKLSLDNQSGNVPDVMMAPYDRVGSLGSDGQLSEVKLSDGAK-TDDTTKSLVTAANGKVYGAPAVIESLVMYYNKDLVKDAPKTFADLENLAKDSKYAFA-GEDGKTTAFLADWTNFYYTYGLLAGNGAYVFGQNGKDAKDIGLANDGSIAGINYAKSWYEK-WPKGMQDTEGAGNLIQTQFQEGKTAAIIDGPWKAQAFKDAKVNYGVATIPTLPNGKEYAAFGGGKAWVIPQAVKNLEASQKFVDFLVATEQQKVLYDKTNEIPANTEARSY-AEGKNDELTTAVIKQFKNTQPLPNISQMSAVWDPAKNMLFDAVSGQKDAKTAANDAVTLIKETIKQKFGE 5TU0 Chain:A ((7-389)) ---------------------------------------DEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGN-KDDYDEKDQKQVT-IDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKN-TGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKS-KNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLKFDAASGSKTPQPSADDAVKVIEDNVTQKYT-

General information: TITO was launched using: RESULT: Template: 5TU0.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 : 2154 18463 8.57 48.72 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : 8.57 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_5TU0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TU0-query.scw PDB file : Tito_Scwrl_5TU0.pdb: