Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGQTNVTSWRDFVFLGFSSSGELQLLLFALFLSLYLVTLTSNVFIIIAIRLDSHLHTPMYLFLSFLSFSETCYTLGIIPRMLSGLAGGDQAISYVGCAAQMFFSASWACTNCFLLAAMGFDRYVAICAPLHYASHMNPTLCAQLVITSFLTGYLFGLGMTLVIFHLSFCSSHEIQHFFCDTPPVLSLACGDTGP--SELRIFILSLLVLLVSFFFITISYAYILAAILRIPS------------------------------------------------------------------------------------------------------------------------------------------------------------------AEGQKKAFSTCASHLTVVIIHYGCASFVYLRPKASY----SLERDQLIAMTYTVVTPLLNPIVYSLRNRAIQTALRNAFRGRLLGKG |
3EML Chain:A ((21-470)) | -----------------------SSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITIST--GFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQ-------SQGCGEGQ---VACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQ- |
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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) -265397 for 2093 contacts (-126.8/contact) +
2D Compatibility (PS) -28304 + (NN) -9166 + (LL) 1436
1D Compatibility (HY) -20800 + (ID) 2450
Total energy: -324681.0 ( -155.13 by residue)
QMean score : 0.292
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