Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLR-VHADFENVKKRLERD-KSM-ALEYAYEKIALDLLPVIDALLGAHKSAVEVDKESALTKGLELTMEKLHEVLARHGIEGIECLEEFDPNFHNAIMQ-VKSE-EKENGKIV-QVLQQGYKYKGRVLRPAMVSIAKND-- |
3NKU Chain:A ((12-205)) | --GSLYSDERDKPLLSPTAQKKFEEYQNKLANLSKIIRENEGNEVSPWQEWENGLRQIYKEMIYDAFDALGV----EMPKDMEVHFAGSS-DLDAFVIV--------------KNDEDIKKVKPVFDALNNLCQRIFTASINPSRLIGT--PDDLFGMLKDGMVADVEATAMSILTSKPVLPRYELGEELRDKIKQEPS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NKU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 13172 for 1168 contacts (11.3/contact) +
2D Compatibility (PS) -17952 + (NN) -6208 + (LL) 2036
1D Compatibility (HY) -2800 + (ID) 1000
Total energy: -12752.0 ( -10.92 by residue)
QMean score : 0.327
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