Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPV-LCGLN-DVRGRDPAVCRLEDR---DYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPAC--SVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC |
4IB4 Chain:A ((23-407)) | -------------------------EEQGNKLHWAALLI--LMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIWHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIET---NPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQK----KAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAA-----------ALDAQK---------------------KDFRHGFDILVGQ------------IDDALKLANEGKVKEAQAAAEQLK------------TTRNAYIQKYLQTISNEQRASKVLG----------IVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IB4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -213727 for 2623 contacts (-81.5/contact) +
2D Compatibility (PS) -35004 + (NN) 19316 + (LL) -940
1D Compatibility (HY) -36000 + (ID) 5600
Total energy: -271955.0 ( -103.68 by residue)
QMean score : 0.171
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