Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCSFFLCQTGKQAKISMGEENQTFVSKFIFLGLSQDLQTQILLFILFLIIYLLTVLGNQLIIILIFLDSRLHTPMYFFLRNLSFADLCFSTSIVPQVLVHFLVKRKTISFYGCMTQIIVFLLVGCTECALLAVMSYDRYVAVCKPLYYSTIMTQRVCLWLSFRSWASGALVSLVDTSFTFHLPYWGQNIINHYFCEPPALLKLASIDTYSTEMAIFSMGVVILLAPVSLILGSYWNIISTVIQMQSGEGRLKAFSTCGSHLIVVVL----FYGSGIFTYMRPN---SKTTKELDKMI--------------SVFYTAVTPMLNPIIYSLRNKDVKGALRKLVGRKCFSHRQ-------------------------------------------------------------------------------------------------------------------------------------------------------------- |
3ODU Chain:A ((37-502)) | PCFR--------------EENANF--------------NKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFV-ITLPFWAVDAVANW-YFGNFLCKAVHVIYTVNLYSSVWILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALL-----LTIPDFIFANVSEADDRYICDR--FYPNDLWVVVFQFQHIMVG----LILPGIVILSCYCIIISKLSHSGSN--IFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSGRPLEVLFQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ODU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177012 for 1911 contacts (-92.6/contact) +
2D Compatibility (PS) -28944 + (NN) 3035 + (LL) 3080
1D Compatibility (HY) -19200 + (ID) 2950
Total energy: -221991.0 ( -116.16 by residue)
QMean score : 0.220
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