Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDNERTIVVRVLKFDPQSAVNKPHFKEYQLKETPSMTLFIALNLIREHQDPDLSFDFVCRAGICGSCAMMVNGRPRLACKTLTSSFENGVITLMPMPSFTLIKDLSVNTGDWFSDMTKRVESWAHSKEEVDITKPEKRVEPDEAQEVFELDRCIECGCCIASCGTKLMRPNFIGAAGMNRAMRFMIDSHDERSDDDFYELVGDDDGVFGCMSLIACHDTCPKELPLQSSIATLRNRMLKVGKSR |
2BS2 Chain:B ((3-240)) | -----RMLTIRVFKYDPQSAVSKPHFQEYKIEEAPSMTIFIVLNMIRETYDPDLNFDFVCRAGICGSCGMMINGRPSLACRTLTKDFEDGVITLLPLPAFKLIKDLSVDTGNWFNGMSQRVESWIHAQKEHDISKLEERIEPEVAQEVFELDRCIECGCCIAACGTKIMREDFVGAAGLNRVVRFMIDPHDERTDEDYYELIGDDDGVFGCMTLLACHDVCPKNLPLQSKIAYLRRKMVSVNM-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BS2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -11495 for 2057 contacts (-5.6/contact) +
2D Compatibility (PS) -25532 + (NN) -10798 + (LL) 200
1D Compatibility (HY) -33600 + (ID) 8350
Total energy: -89575.0 ( -43.55 by residue)
QMean score : 0.506
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