Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDSAPPSNETEIRFSVLLVDDEPLILSSLRRLLRNQPYDLLLAESGEQALQLLESRPVDLVVSDARMPNMDGAALLAEIHRRSPETIRILLTGHADLPTIAKAINEGRIHHYLSKPWNDDELLLTLRQSLEYLHSERERRRLERLTQEQNDRLQQLNATLEKRVQARTAELQQTADMLDLAYEELKRSYVVGTEVFSLLVNQRLPKDKQTNQQIIELVRACCASGLVDESDGRDLAMAAALYNIGKLSWNDTLLSSPSDLLYHHDRDRFRGYPELSESLLMSLEPMQDAARLIRHHQEHWDGSGYPDHLKGEAIPLGSRLLKLAVDFVELQRGLILERRMNRDEALMYIRKYAGRLYDPELIEPFIQVCATTLADVTLADPQVRAHGTRDLVPGMVLARNLTANNGMLLLNAGKVLNLALIEKLIAFEAIEGARYTLFVRLPESTT |
2JRL Chain:A ((4-118)) | ----------------VLVVDDEESITSSLSAILEEEGYHPDTAKTLREAEKKIKELFFPVIVLDVWMPDGDGVNFIDFIKENSPDSVVIVITGHGSVDTAVKAIKKG-AYEFLEKPFSVERFLLTIKHAFE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JRL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -69341 for 887 contacts (-78.2/contact) +
2D Compatibility (PS) -12903 + (NN) -14127 + (LL) 25200
1D Compatibility (HY) -8800 + (ID) 1950
Total energy: -81921.0 ( -92.36 by residue)
QMean score : 0.700
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