Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNINIFVFLALSFVTSFNSIQAQILYTWSQVIPDNKLSVRAIIDSNTCPVAYVDGKGVEMLNRSSINNGDHTETICEMIVETGAQNISIDGIQVPILPEKISRIAFIGDTGCRINALFQQECNSVDSWPFKKNLDSIALHEPDLIVHVGDYHYRKTKCRNAQKCGNIYGYNKEAWYADWFEPAKDILLQSSFLFVRGNHENCDRAYEGWFRYLDSHPFSSEKCENFVPGWFLDIGPMKFFIFDSSSGEDIFTTQSTIDAFEKQFDKLTQDSSDKPTWFLTHRPLWRSPKKEFLTLKSHGNLTQIEAFGDKFPNNVATIVSGHIHIAQILLMNNVPDQIIVGNGGALLHAQDQEPVYQNIEFSYSNGKNYLAHEIKNFFGFGFSILNLDNH--EFTFYDQNNEEMYSAKLTEDFKLEIN |
3CK2 Chain:A ((4-170)) | --------------------------------------------------------------------------------------------------MAKQTIIVMSDSHGDSLI-------------VEEVRDRYV-GKVDAVFHNGDSELRPDS---------------P------------L--WEGIRVVKGNMDFYAG-------------Y----------------------------P-----------------ERLVTE-LGSTKIIQTHGHLFDINFNF---------QKLDYWAQ---EEEAAICLYGHLHVPSAWLEG-KILFLNPGSISQPRGT---------------------------IRECLYARVEIDDSYFKVDFLTRDHEVYPGLSKEFSR----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CK2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -81708 for 1361 contacts (-60.0/contact) +
2D Compatibility (PS) -17790 + (NN) -7714 + (LL) 14736
1D Compatibility (HY) -4800 + (ID) 1200
Total energy: -98476.0 ( -72.36 by residue)
QMean score : 0.486
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