Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKPIKISKFKKNVSDSHFIHFFTVFSGIFLVMTVIILQVMRYGVYSSVDSSLKYISTHPKNYINMVMSRTAAYLDNSNIASVKLKPGGQTVANTDIILFTSEEEVINYFDAFSNYQFLKPNKKNLGGISELTLTNIFGQDETYHAVTVKVNNPAYPNVTYMTAIVNIDQLVNAKERYEKIIIFVMTTFWIISIGASIYLAKWAQKPIIENYERQKAFVENASHELRTPLAVLQNRLETLFRKPNATI-LENSENIASSLDE-VRNMRILTTNLLNLARRDDGIKPELAVIKPTLFDSIFENYDLIAQENGKNFTGHNMIQDSFK--TDKTLLKQLMTILFDNAIKYTDNDGSIDFTISETDKYLFLEIADNGPGISEEDKVRIFDRFYRVDKARTRQQGGFGLGLSLAQQIVNSLRGNITVIDNKPRGSIFKIKLPKVKG |
4BIW Chain:A ((80-296)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QQRLLSDISHELRTPLTRLQLGTALLRRRSGESKELERIETEAQRLDSMINDLLVMSRNQQKNALVSETIKAN------QLWSEVLDNAAFEAEQMGKSLT-VNFPPGPWPLYGNPNALESALENIVRNALRYSHTKIEVGFAVDKDG--ITITVDDDGPGVSPEDREQIFRPFYRTDEARDRESGGTGLGLAIVETAIQQHRGWVKAEDSPLGGLRLVIWLPLYK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BIW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -56254 for 1554 contacts (-36.2/contact) +
2D Compatibility (PS) -22616 + (NN) -10364 + (LL) 16876
1D Compatibility (HY) -9600 + (ID) 3250
Total energy: -85208.0 ( -54.83 by residue)
QMean score : 0.452
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