Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------------------------------------------------------------------------MLKKAKLILIAVLVLSGCSTIENESKKDRNTETNTETK----SVPEEMEASKYVGQGFQPPAEKDAIEFSKKHKDKIAKRGEQFFMDN-----------------FGLKVKAT-NVVGSGDGVEVFVHCDDHDIVFNASIPFDKSIIES-DSSLRSEDKGDDMSTLVGTVLS----GFEYRAHKEELDNLTEVLKEYKS--------KYKYTGYTENAIMKTQNSGFRNEYYYL-----------TAIPYTLDEY-----KRYFQPLIKEDDKSFRDGMRNSKKQLKDKS-RPYVVTTLFSTKDNFTKDNTIDEMIDFSEVLKKKKNIP-----HDLNVSLQISNKYINTKRPNYSK--KEVIEVGVFNHEKANTND |
2W45 Chain:A ((7-466)) | LEDPMEEMTSYTFARFLRSPETEAFVRNLDRPPQMPAMRFVYLYCLCKQIQEFSGETGFCDFVSSLVQEDGPSLKSIYWGLQEATDEQRTVLCSYVESMTRGQSENLMWDILRNGIISSSKLLSTIKNGPTKVFEPAFGGPVAFGLRCEDTVKDIVCKLICGDASANRQFGFMISPTDGIFGVSLDLCVNVESQGDFILFTDRSCIYEIKCRFKYLFSKSEFDPIYPSYTALYKRPCKRSFIRFINSIARPTVEYVPDGRLPSEGDYLLTQDEAWNLKDVRKRKLGPGHDLVADSLAANRGVESMLYVMTDPSENAGRIGIKDRVPVNIFINPRHNYFYQVLLQYKIVGDYVRHSGGGKPGRDCSPRVNIVTAFFRKRSPLDPATC---TLGSDLLLDASVEIPVAVLVTPVVLPDSVIRKTLSTAAGSWKAYADNTFDTAPWVPSGLFADD |
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General information:
TITO was launched using:
| RESULT:
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Template: 2W45.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 73387 for 2085 contacts (35.2/contact) +
2D Compatibility (PS) -33032 + (NN) -4755 + (LL) 232
1D Compatibility (HY) -7200 + (ID) 2250
Total energy: 26382.0 ( 12.65 by residue)
QMean score : 0.133
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