Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAAAEEEPKPKKLKVEAPQALRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQP--TGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKARVCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFAREQGFETKDIKEIAKKTQALPKMNS-KRQRIVIFTQGRDDTIM--ATESEVTAFAVLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPDFH |
3VAQ Chain:A ((24-366)) | --------------------LSEGYVFGMGNPLLDIIVDADDFMYRKYNLKKDNIVLAEEKHMTIYDEIQKKKKLNYIAGGATLNTVKMIQWIIQKPF-VCSYVGCIGADIQGKYIKNDCSALDLVTEF-QIAEEPLMTGKVAVLVSEKLRSMVTYLGAA-CDLSLAHIEQPHVWSLVEKAQVYYIAGFVINTCYEGMLKIAKHSLENEKLFCFNLSAPFLSQFNTKEVDEMISYSNIVFGNESEAEAYGEVHGLLEDTVHATARYIADLPFADGKKRKRLVIITRGKNPLLYTDSSDSEIHQFMVEQFKDDQIIDTNGAGDAFAAGFIADYIRGKPMITSLHAAVKAAAYIICRSGFSLGSRDSY- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VAQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217959 for 2991 contacts (-72.9/contact) +
2D Compatibility (PS) -35839 + (NN) -12546 + (LL) 1788
1D Compatibility (HY) -30400 + (ID) 6600
Total energy: -301556.0 ( -100.82 by residue)
QMean score : 0.621
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