Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKERTTMMSNLKKFGLAFLSVILLVNVIFQTNFVKAATNYGSDFLKTVELLDADGNPQTDFGYYDSIKVHYTWEIPNSTNVKEGDTMEFVLPPELKIVTDLDFSLKDHDGNTVGHVIAKKSTGQVVITFTDFVEKNSNISGYLDFWTNWDKSLVEGNENVPVEFPVNGTTETIDVGVGGKNQIDPDESLYKYGWADAENPELIQWVVRVNYSKQNIQNAVYEDFIGPKQVVDFNSIKAFHGEFDPDDNFTPGAEVPSSAITQTTDGFKVDLGNLTDSVKISYYTTSTDNGASPNYTNKGQLTGDNFIKQEIEVATPTSGGGGGGEGTTGSVELTKTDDSSQKNPLEGAEFKLVNGAG---ATV------------------QTGLKTNADGKLAISNLKYDTYQLIETKAPQGYVLDASPVKFTIDDTHQSLFVSKENTAIKGSVSLEKVDR--DTKSLLADAEFELQDKDGNTL--------------KTNLKTDQKGKLTVADLLPGEYQFVETKAPTGYILDTTPLKFKISTEALNVTVTKENTKKPEIPKVPVPPKKPEKPDKIISEDSKQTALPKTGDSPLVNGWGLLLVAISASGLIALRRK |
3PHS Chain:A ((45-247)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPNPQLEIAPK--EGTPIEGVLYQLYQLKSTEDGDLLAHWNSLTITELKKQAQQVFEATTNQQGKATFNQLPDGIYYGLAVKAGEKNR-NVSAFLVDLSEDK---VIYPKIIWSTGELDLLKVGVDGDTKKPLAGVVFELYEKNGRTPIRVKNGVHSQDIDAAKHLETDSSGHIRISGLIHGDYVLKEIETQSGYQIGQAETAVTIEKS------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PHS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2111 for 1004 contacts (-2.1/contact) +
2D Compatibility (PS) -17250 + (NN) 5405 + (LL) 18844
1D Compatibility (HY) -7600 + (ID) 2000
Total energy: -4712.0 ( -4.69 by residue)
QMean score : 0.444
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