Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MERTNDSTSTEFFLVGLSAHPKLQTVFFVLILWMYLMILLG---NGVLISVIIFDSHLHTPMYFFLCNLSFLDVCYTSSSVPLILASFLAVKKKVSFSGCMVQMFISFAMGATECMILGTMALDRYVAICYPLRYPVIMSKGAYVAMAAGSWVTGLVDSVVQTAFAMQLPFCANNVIKHFVCEILAILKLACADISINVISMTGSNLIVL-------VIPLLVISISYIFIVATILRIPSTEGKHKAFSTCSAHLTVVII------------FYGTIFFMYAKPESKASVDSGNEDIIEALISLFYGVMTPMLNPLIYSLRNKDVKAA-VKNILCRKNFSDGK |
| 3CAP Chain:A ((37-326)) | --------------------------FSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAF-TWVMALA--------------CAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGS----DFGP---IFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKN----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -232923 for 1952 contacts (-119.3/contact) +
2D Compatibility (PS) -27109 + (NN) -3802 + (LL) 3440
1D Compatibility (HY) -20400 + (ID) 3400
Total energy: -284194.0 ( -145.59 by residue)
QMean score : 0.226
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