Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVTIKDVALKAGVSPSTVSRVIKGNKRISEATISKVKKVMEELNYFPNTAARTLITNQTYKIGLVLKGSEEPIRLNPFYINVLLGISETCNQHGYGTQTTVSNNMNDLMDE--VYKMIKQRMVDAFILLYSKENDPIKQMLID-ESMPFIVIGKPTSDIDHQFTHIDNDNILASENLT-RHVIEQGVDELIFITEKGNFEVSKDRIQGFETVASQFNL---DYQIIETSNEREVILNYMQNLHTRLKDPNIKQAIISLDAMLHLAILSVLYELNIEIPKDVMTATFNDSYLTEIASPPQTCIDIKPRMLGQQAGSAILNILKNKAQDVIELVIIDTELKIRKSTQR |
2PUE Chain:A ((2-314)) | --TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEA-----AYFAEIIEAVEKNCFQKGY--TLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKAD--FTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEQNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQI---LSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREE------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PUE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171330 for 2476 contacts (-69.2/contact) +
2D Compatibility (PS) -33152 + (NN) -18669 + (LL) 3108
1D Compatibility (HY) -15600 + (ID) 4200
Total energy: -239843.0 ( -96.87 by residue)
QMean score : 0.486
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