Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MESPVRLSLLYVVLASLLLPGRSVFINRERANNVLQRIRRANSFFEEIKKGNLERECVEEICSFEEAREVFEDNEKTTEFWNKYEDGDQCESSPCQNQGECRDGLGSYTCTCTEGFEGKNCELFVRKLCSLDNGDCDQFCREEQNSVVCSCAKGYFLGNDGKSCLSTAPFPCGKTNKGRAKRSVALNTSNSEPDPEDLMPDADILYPTESPSELLNLNKTEPEANSDDVIRIVGGQECKRGECPWQALLFSDEETDGFCGGTILNEFYILTAAHCLH--------QAKRFKVRVGDLNTEQED-GGEMVHEVDMIIKHNKFQ-RDTYDFDIAMLRLKTPITFRENVAPACLPQKDWAEATLMTQKTGIVSGFGRTHEK----GRQ-SKVLKMMEVPYVDRNTCRLSTSFSITQNMFCAGYDA---KQEDACQGDSGGPHVTRF--KDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKARVGPTSETPRLTHPPY |
| 3NXP Chain:A ((163-421)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTAN---QPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NXP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139864 for 1934 contacts (-72.3/contact) +
2D Compatibility (PS) -25647 + (NN) -3513 + (LL) 11152
1D Compatibility (HY) -20000 + (ID) 4650
Total energy: -182522.0 ( -94.38 by residue)
QMean score : 0.245
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