Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCALKGFLEENFYTYSVAKGNHSTVYEFILLGLTDNAELQVTLFGIFLVVYLASFMGNFGLIMLIQISPQLHTPMYFFLSHLAFVDFSFTSSVAPNTLVNFLCEVKSITFYACAIQVCCFITFVVCELYLLSIMAYDRYVAICNPLLYVI-LIPRKCIKLIASTYVYGFTVGLVQTVATSYLSFCDSNVINHFYHDDVPLVALACSDTH--VKELMLLIIAGFNTLCSLVIVLISYGFIFFAILRIHS------------------------------------------------------------------------------------------------------------------------------------------------------------------AEGRQKAFSTSASHLTSITIFYGTIIFMYPQPKSS----HSLNMDKVASVFNVVVIPTLNPLIYSLRNQEVKNALKRIIEKLCLAVK |
3EML Chain:A ((21-470)) | ---------------------------------------SSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITIST--GFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQ-------SQGCGEGQV---ACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQ- |
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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) -261920 for 2078 contacts (-126.0/contact) +
2D Compatibility (PS) -27269 + (NN) -1188 + (LL) 3872
1D Compatibility (HY) -16000 + (ID) 2500
Total energy: -305005.0 ( -146.78 by residue)
QMean score : 0.281
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