Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGIPGLEGLHTWISIPFSFMYIVAVAGNIFLIFLIMTERSLHEPMYLFLSMLASADFLLATAAAPKVLAILWFHSMDISFGSCVSQMFFIHFIFVAESAILLAMAFDRYVAICYPLRYT-ILTSSAVRKIGIAAVVRSFFICCPFIFLVYRLTYCGRNIIPHSYCEHIARLACGNINV-N-IIYGLTVALLSTGLDIVLIIISYTMILHSVFQISS------------------------------------------------------------------------------------------------------------------------------------------------------------------WAARFKALSTCGSHICVIFMFYTPAFFSFLAHRFGGK-TIPHHIHILVGSLYVLVPPMLNPIIYGVKTKQIKDRVILLFSPISVC |
3EML Chain:A ((23-469)) | -----------VYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITIS--TGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQ-------SQGCGEG-QVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EML.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -312946 for 2083 contacts (-150.2/contact) +
2D Compatibility (PS) -27883 + (NN) -4449 + (LL) 912
1D Compatibility (HY) -20000 + (ID) 2350
Total energy: -366716.0 ( -176.05 by residue)
QMean score : 0.229
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