Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLG--------VSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQ-LVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHA-HDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQL--NATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYP----------------GRGGMISFFIRDA-ALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG |
1E5E Chain:A ((5-397)) | --RMTPATACIHANPQK-DQFGAAIPPIYQTSTFVFDNCQQGGNRFAGQESGYIYTRLGNPTVSNLEGKIAFLEKTEACVATSSGMGAIAATVLTILKAGDHLISDECLYGCTHALFEHALTKFGIQVDFINTAIPGEVKKHMKPNTKIVYFETPANPTLKIIDMERVCKDAHSQEGVLVIADNTFCSPMITNPVDFGVDVVVHSATKYINGHTDVVAGLICGKA-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) -240137 for 3209 contacts (-74.8/contact) +
2D Compatibility (PS) -39636 + (NN) -19569 + (LL) 852
1D Compatibility (HY) -28800 + (ID) 7400
Total energy: -334690.0 ( -104.30 by residue)
QMean score : 0.529
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