Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDPTVPVFGTKLTPINGREETPCYNQTLSFTVLTCIISLVGLTGNAVVLWLLGY-RMRRNAVSIYILNLAAADFLFLSFQIIRLPLRLIN----ISHLIRKILVSVMTFPYFTGLSMLSAISTERCLSVLWPIWYRCRRPTHLSAVVCVLLWGLSLLFSMLEWRFCDFLFS--GADSSWCET--------SDFIPVAWLIFLCVVLCVSSLVLLVRILCGSR-----------------------------------------------------------------------------------------------------------------------------------------------------------------KMPLTRLYVTILLTVLVFLLCGLPFGILGALIYRMHLNLEVLYCHVYLVCMSLSSLNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDKPEVDKGEGQLPEESLELSGSRLGP |
3UON Chain:A ((23-457)) | --------------------------VVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRINIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAP---CIPNTVWTIGYWLCYINSTINPACYALCNATF--K--KTFKHLLM------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UON.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217107 for 1878 contacts (-115.6/contact) +
2D Compatibility (PS) -25997 + (NN) -4828 + (LL) 2212
1D Compatibility (HY) -19200 + (ID) 2250
Total energy: -267170.0 ( -142.26 by residue)
QMean score : 0.262
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