Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHTHAHLAANSSLSWWSPGSACGLGFVPVVYYSLLLCLGLPANILTVIILSQLVARRQKSSYNYLLALAAADILVLFFIVF-VDFLLEDFILNMQMPQVPDKIIEVLEFSSIHTSIWITVPLTIDRYIAVCHPLKYHTVSYPARTRKVIVSVYITCFLTSIPYYWWPNIWT--EDYISTSVHHV------LIWIHCFTVYLVPCSIFFILNSIIVYKLRRKSNFR---------------------------------------------------------------------------------------------------------------------------------------------------------------LRGYSTGKTTAILFTITSIFATLWAPRIIMILYHLYGAP------IQNRWLVHIMSDIANMLALLNTAINFFLYCFISKRFRTMAAATLKAFFKCQKQPVQFYTNHNFSITSSPWISPANSHCIKMLVYQYDKNGKPIKVSP |
3ODU Chain:A ((44-494)) | ---------------------ANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSM-TDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFL----CKAVHVIYTVNLYSSVWILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSGSNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSGRPLEVLFQ------------------------------------------ |
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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) -240650 for 1971 contacts (-122.1/contact) +
2D Compatibility (PS) -27257 + (NN) 6725 + (LL) 3500
1D Compatibility (HY) -19200 + (ID) 3000
Total energy: -279882.0 ( -142.00 by residue)
QMean score : 0.138
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