Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTPLCLNCSVLPGDLYPGGARNPMACNGSAARGHFDPEDLNLTDEALRLKYLGPQQTELFMPICATYLLIFVVGAVGNGLTCLVILRHKAMRTPTNYYLFSLAVSDLLVLLVGLPLELYEMWHNYPFLLGVGGC----YFRTLLFEMVCLASVLNVTALSVERYVAVVHPLQARSMVTRAHVRRVLGAVWGLAMLCSLPNTSLHGIRQLHVPCRGPVPDSAVCMLVRPRALYNMVVQTTALLFFCLPMAIMSVLYLLIGLRLRRERLLLMQEAKGRGSAAARSRYTCRLQQHDRGRRQVTKMLFVLVVVFGICWAPFHADRVMWSVVSQWTDGLHLAFQHVHVISGIFFYLGSAA-NPVLYSLMSSRFRETFQEALCLGACCHRLRPRHSSHSLSRMTTGSTLCDVGSLGSWVHPLAGNDGPEAQQETDPS |
3PQR Chain:A ((37-326)) | -----------------------------------------------------------FSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGY-FVFGPTGCNLEGFFATLGGEI----ALWSLVVLAIERYVVVCKPM-SNFRFGENHAIMGVAFTWVMALACAAP--PLVGWSRY-------IPEGMQCSC--GIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQ---------KAEKEVTRMVIIMVIAFLICWLP-YAGVAFYIFTHQGSD-----FGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGK--N------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PQR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -249798 for 2201 contacts (-113.5/contact) +
2D Compatibility (PS) -29898 + (NN) -11867 + (LL) 5392
1D Compatibility (HY) -30000 + (ID) 4200
Total energy: -320371.0 ( -145.56 by residue)
QMean score : 0.325
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