Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVLLTGAAGFIGSRVDAALRAAGHDVVGVDALLPAAHGPNP------VLPPGCQRV-----DVRDASALAPLLAGVDLVCHQAAMVGAGVNAADAPAYGGHNDFATTVLLAQMFAAGVRRLVLASSMVVYGQGRYDCPQHGPVDPLPRRRADLDNGVFEHRCPGCGEPVIWQLVDEDAPLRPRSLYAASKTAQEHYALAWSEASGGSVVALRYHNVYGPGMPRDTPYSGVAAIFRSAVEKGKPPKVFEDGGQMRDFVHVDDVAAANLAAVHLGEADRDGFTAVNVCSGRPISILQVATAICDARG-----GSMSPAITGHYRSGDVRHIVADPARAARVLGFRAAVDPGEGLREFAFAPLR |
3RUD Chain:A ((29-339)) | ---LITGVAGFIGSNLLEKLLKLNQVVIGLDNF-STGHQYNLDEVKTLVSTEQWSRFCFIEGDIRDLTTCEQVMKGVDHVLHQAALGSVPRSIVDPITTNATNITGFLNILHAAKNAQVQSFTYAASSSTYG----DHP------ALPKVEENIGN-----------------------PLSP---YAVTKYVNEIYAQVYARTYGFKTIGLRYFNVFGRRQDPNGAYAAVIPKWTAAMLKGDDVYINGDGETSRDFCYIDNVIQMNILSALAKDSAKDNI--YNVAVGDRTTLNELSGYIYDELNLIHHI-----KYR-EFRSGDVRHSQADVTKAIDLLKYRPNIKIREGLR-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RUD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162198 for 2469 contacts (-65.7/contact) +
2D Compatibility (PS) -31146 + (NN) -12567 + (LL) 2816
1D Compatibility (HY) -14400 + (ID) 4650
Total energy: -222145.0 ( -89.97 by residue)
QMean score : 0.440
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