Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCALKGFLEENFYTYSVAKGNHSTVYEFILLGLTDNAELQVTLFGIFLVVYLASFMGNFGLIMLIQISPQLHTPMYFFLSHLAFVDFSFTSSVAPNTLVNFLCEVKSITFYACAIQVCCFITFVVCELYLLSIMAYDRYVAICNPLLYVI-LIPRKCIKLIASTYVYGFTVGLVQTVATSYLSFCDSNVINHFYHDDVPLVALACSDTHVKELMLLIIAGFNTLCSLVIVLISYGFIFFAILRIHS-----------------------------------------------------------------------------------------------------------------------------------------------------------------AEGRQKAFSTSASHLTSITIFYGTIIFMYPQPKSSH--SLNMDKVASVFNVVVIPTLNPLIYSLRNQEVKNALKRIIEKLCLAVK |
3RZE Chain:A ((9-443)) | ----------------------------------------MPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILG-WNH--------RREDKCETDFYD---------VTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHI------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RZE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219802 for 1941 contacts (-113.2/contact) +
2D Compatibility (PS) -26401 + (NN) -295 + (LL) 4988
1D Compatibility (HY) -18400 + (ID) 2150
Total energy: -262060.0 ( -135.01 by residue)
QMean score : 0.195
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