Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKERTTMMSNLKKFGLAFLSVILLVNVIFQTNFVKAATNYGSDFLKTVELLDADGNPQTDFGYYDSIKVHYTWEIPNSTNVKEGDTMEFVLPPELKIVTDLDFSLKDHDGNTVGHVIAKKSTGQVVITFTDFVEKNSNISGYLDFWTNWDKSLVEGNENVPVEFPVNGTTETIDVGVGGKNQIDPDESLYKYGWADAENPELIQWVVRVNYSKQNIQNAVYEDFIGPKQVVDFNSIKAFHGEFDPDDNFTPGAEVPSSAITQTTDGFKVDLGNLTDSVKISYYTTSTDNGASPNYTNKGQLTGDNFIKQEIEVATPTSGGGGGGEGTTGSVELTKTDDSSQKNPLEGAEFKLVNGAGATVQTGLKTNADGKLAISNLKYDTYQLIETKAPQGYVLDASPVKFTIDDTHQS-----------L--------------------------------------------------------------------------------------------------------------------------------FVSK-------------ENTAIKGSVSLEKVDRDTKSLLADAEFELQDKDGNTLKT-----NLKTDQKGKLTVADLLPGEYQFVETKAPT---------GYILDTTPLKFKISTEALNVTVTKENTKKPEIPKVPVPPKKPEKPDKIISEDSKQTALPKTGDSPLVNGWGLLLVAISASGLIALRRK |
3KPT Chain:A ((6-346)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KRGAVDLIKTGV--NEKAMAGAVFSLFKKDGTEVKKELATDANGHIRVQGLEYGEYYFQETKAPKGYVIDPTKREFFVKNSGTINEDGTITSGTVVKMEVKNNEEPTIDKKINGKLEALPINPLTNYNYDIKTLIPEDIKEYKKYVVTDTLDNRLVIQGKPIVKIDGAEVNANVVEVAIEGQKVTATVKDFTKMDGKKEFHLQIKSQVKEGVPSGSEILNTAKIHFTNKNDVIGEKESKPVVVIPTTGIIELTKIDSANKNKMKGAEFVLKDNNGKIVVVAGKEVTGVSDENGVIKWSNIPYGDYQIFETKAPTYTKEDGTKTSYQLLKDPIDVKISENNQTV-------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KPT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -17551 for 1089 contacts (-16.1/contact) +
2D Compatibility (PS) -18527 + (NN) 3145 + (LL) 17916
1D Compatibility (HY) -12400 + (ID) 2850
Total energy: -30267.0 ( -27.79 by residue)
QMean score : 0.536
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