Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYV-VYSSVCSFFLPCPLMLLLYWATFRGLQR----WEVAR-----RAKLHGRAP-RRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGL-----PRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITG---------RERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC |
3RZE Chain:A ((26-442)) | ---------------------------------------------------NLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMS-KWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPIL-GWNH-RREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRN------AKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQK------------RWDEAAVNLAK------SRWYNQTPNRAKRVITTFRTGTWDAYLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCC-NEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHI-- |
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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) -124385 for 2747 contacts (-45.3/contact) +
2D Compatibility (PS) -38330 + (NN) 177 + (LL) 2072
1D Compatibility (HY) -33600 + (ID) 5700
Total energy: -199766.0 ( -72.72 by residue)
QMean score : 0.183
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