Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKPIKISKFKKNVSDSHFIHFFTVFSGIFLVMTVIILQVMRYGVYSSVDSSLKYISTHPKNYINMVMSRTAAYLDNSNIASVKLKPGGQTVANTDIILFTSEEEVINYFDAFSNYQFLKPNKKNLGGISELTLTNIFGQDETYHAVTVKVNNPAYPNVTYMTAIVNIDQLVNAKERYEKIIIFVMTTFWIISIGASIYLAKWAQKPIIENYERQKAFVENASHELRTPLAVLQNRLETLFRKPNATI-LENSENIASSLDE-VRNMRILTTNLLNLARRDDGIKPELAVIKPTLFDSIFENYDLIAQENGKNFTGHNMIQDSFK--TDKTLLKQLMTILFDNAIKYTDNDGSIDFTISETDKYLFLEIADNGPGISEEDKVRIFDRFYRVDKARTRQQGGFGLGLSLAQQIVNSLRGNITVIDNKPRGSIFKIKLPKVKG |
4CB0 Chain:A ((80-293)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QQRLLSDISHELRTPLTRLQLGTALLRRRSGESKELERIETEAQRLDSMINDLLVMSRNQQKNALVSETIKAN------QLWSEVLDNAAFEAEQMGKSLT-VNFPPGPWPLYGNPNALESALENIVRNALRYSHTKIEVGFAVDKDG--ITITVDDDGPGVSPEDREQIFRPFYRTDEARDRESGGTGLGLAIVETAIQQHRGWVKAEDSPLGGLRLVIWLPLYK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CB0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -61850 for 1508 contacts (-41.0/contact) +
2D Compatibility (PS) -22419 + (NN) -11079 + (LL) 17112
1D Compatibility (HY) -9200 + (ID) 3200
Total energy: -90636.0 ( -60.10 by residue)
QMean score : 0.441
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