Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKCFLAICLALSFFMVSVQADEVDYNIPHYEGN-LTIHNDNSADFTEKVTYQFDSSYNGQYVTLGTAGKLPDNFDINNKPQVEVSINGKVRKVSYQIEDLEDGYRLKVFNGGEAGDTVKVNVQWKLKNVLFMHKDVGELNWIPISDWDKTLEKVDFWISTDKKVALSRLWGHLGYLKTPPKIRQNNNRYHLTAFNVNKRLEFHGYWDRSYFNLPTNSKNNYKKKIEHQEKMIERHGFILSFLLRILLPSFFIIVTLFISIRVFLFRKKVNKYGQFPKDHHLYEAPEDLSPLELTQSIYSMSFKNFQDEEKKTHLISQEQLIQSILLDLIDRKVLNYDDNLLSLANLDRASDAEIDFIEFAFADSTSLKPDQLFSNYQFSYKETLRELKKQHKASDLQTQMRRRGSNALSRITRLTRLISKDNINSLRSKGISSPYRKMSSEESKELSRLKRFSYLSPLISFVVIIYTLFLNYFTYFCIYLLLFVVILLLNKIIFMMTRKISNGYIVTEDGASRIYQWTSFRNMLRDIKSFDRSELESIVLWNRILVYATLFGYADRVEKVLRVNQIDIPERFANIDSHRFAISVNQSSNHFSTITEDVSHASNFSVNSGGSSGGFSGGGGGGAF |
2JNA Chain:A ((1-45)) | MKKRIIAAALLATVASFSTLA--A-EQVSKQEISHFKLVKVGTINVSQSGGQISSPSDLREKLSELADAKGGKYYHIIAAREHGPNFEAVAEVYNDATKLEHHHHHH-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JNA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -1188 for 111 contacts (-10.7/contact) +
2D Compatibility (PS) -4181 + (NN) 4289 + (LL) 38032
1D Compatibility (HY) 0 + (ID) 400
Total energy: 36552.0 ( 329.30 by residue)
QMean score : -0.009
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