Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNRHHLQDHFLEIDKKNCCVFRDDFIAKVLPPVLGLEFIFGLLG---NGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFVMDYYVRRSDWKFGDIPCRLVLFMFAMNRQGSIIFLTVVAVDRYFRVVHP--------HHALNKIS-NWTAAIISCLLWGITVGLTVHLLKKKLLIQNGTANVC-ISFSICHTFRWHEA----MFLLEFFLPLGIILFCSARIIWSLR-----QRQMDRHAKIKRAIT-FIMVVAIVFVICFLPSVVVRIHIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKITGEPDNNRSTSVELTGDPNKTRGAPEALIANSGEPWSPSYLGPTSNNHSKKGHCHQEPASLEKQLGCCIE |
| 3CAP Chain:A ((45-326)) | -------------------------------------FLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFTWVMA-LAC--------AAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIF---THQGSDFGPIFMTIP-AFFAKTSAVY-----NPVIYIMMNKQFRNCMVTTL--CCGKN----------------------------------------------------------------------- |
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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) -251317 for 1919 contacts (-131.0/contact) +
2D Compatibility (PS) -26299 + (NN) -8076 + (LL) 6116
1D Compatibility (HY) -27200 + (ID) 3650
Total energy: -310426.0 ( -161.76 by residue)
QMean score : 0.218
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