Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGNKDDYDEKDQKQVTI-DDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK |
2XD2 Chain:A ((41-419)) | -------------------------------------KELTVYVDEGYKSYIEEVAKAYEKEAGVKVTLKTGDALGGLDKLSLDNQNGNVPDVMMAPYDRVGSLGSDGQLSEVKLSDGAKTDDTTKSLVTAANGKVYGAPAVIESLVMYYNKDLVKDAPKTFADLENLAKDSKYAFAGEDGKTTAFLADWTNFYYTYGLLAGNGAYVFGQNGKDAKDIGLANDGSIVGINYAKSWYEK-WPKGMQDTEGAGNLIQTQFQEGKTAAIIDGPWKAQAFKDAKVNYGVATIPTLPNGKEYAAFGGGKAWVIPQAVKNLEASQKFVDFLVATEQQKVLYDKTNEIPANTEARSYAEGKNDELTTAVIKQFKNTQPLPNISQMSAVWDPAKNMLFDAVSGQKDAKTAANDAVTLIKETLKQK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XD2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78258 for 3314 contacts (-23.6/contact) +
2D Compatibility (PS) -41306 + (NN) -23530 + (LL) 2476
1D Compatibility (HY) -36800 + (ID) 10200
Total energy: -187618.0 ( -56.61 by residue)
QMean score : 0.477
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