Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VAKEYAQDTAVIKASLGIDKETGALNTPIHLSSTFHQHDFD--------NYHAYDYARSGNPTREKVEQAIAELEGGTNGFAFASGMAAVSAALFT-LSKGDHFIIAKDVYGGTFRLVEQVLPRFGITHTFVDTTNIDEVAKAFQANTKLVYLETPSNPLLHVTDIRTVAKLAKA-NGCYTFVDNTFLTPLIQKPLELGADLVIHSATKFLGGHSDILAGLIVTNNPNLAEAVYFLQ--NSTGGVLGVQDSWLLLRGLKTLSVRMKAGTETAEKIALFLNAEPDVVAVHYPGLPSHAGYDIQVEQATSGGAVLSFDLGSE-EAVRELVTHLELPVFSVSLGAVESILSYPAKMSHAAVPEEERLAQGITPGLLRFSAGLEDAEDLIADLKQALSFIKKGSVAK |
1E5E Chain:A ((4-397)) | --ERMTPATACIHANPQKD-QFGAAIPPIYQTSTFVFDNCQQGGNRFAGQESGYIYTRLGNPTVSNLEGKIAFLEKTEACVATSSGMGAIAATVLTILKAGDHLISDECLYGCTHALFEHALTKFGIQVDFINTAIPGEVKKHMKPNTKIVYFETPANPTLKIIDMERVCKDAHSQEGVLVIADNTFCSPMITNPVDFGVDVVVHSATKYINGHTDVVAGLICGKA-DLLQQIRMVGIKDITGSVISPHDAWLITRGLSTLNIRMKAESENAMKVAEYLKSHPAVEKVYYPGFEDHEGHDIAKKQMRMYGSMITFILKSGFEGAKKLLDNLKLITLAVSLGGCESLIQHPASMTHAVVPKEEREAAGITDGMIRLSVGIEDADELIADFKQGLDALLR----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E5E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -202515 for 3391 contacts (-59.7/contact) +
2D Compatibility (PS) -42114 + (NN) -25554 + (LL) 460
1D Compatibility (HY) -31600 + (ID) 8050
Total energy: -309373.0 ( -91.23 by residue)
QMean score : 0.499
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