Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSDLINIQKKLLPDVLMIMQKRYQILRSIYFSEPVGRRTLAGMLGMSERVLRGEVEFLKAQGLVEIASSGMTVTKEGLVVFRDLESVMNQLSGLHSMEEQLAKKLQIKKCLVVQGDSDDTPWVREEMGRVAV---EQLDMALTEKRNIVAVMGGSTMATVAEMMTTDFAKGRELLFVPGRGGIGEDLDN-QANTICDKMATKTNTKHRVLYVPEQLGEEAYRSLLKEPA-IQEGLRLVQSANAIILGIGDALAMAKRRHTG----EDVLEKIIHRKAVGEAFGYYF----DEQGEVVHKVPTFGLQFEDLAQIPHIIAVAGGTSKAKAIKSYMKSAPKNTILITDEGAAKSLLKGSNTLLK |
| 3KV1 Chain:A ((12-261)) | ------------------------------------------------------------------------------------------------LEQKLVEKFNLKRALI----SLDQPNTNEQRKQVAALVSSYLNNNLQEGM-AVAVGQGQNVAAVADH--AGIVTQRNARFVSAIGGTH----IINADHICRRLAKKYGGSSETLYAPAYVNDPSLRSAFMEHATIKETLSQARKAEFALVGIGDMDENSHMVKLGFFTPKEFVEARLNDGIVGDIGGFDFFKLDGTDADTLMRGRVIGLEMEDLRQIPNVVAMASESRKALSIMGALRTGVID-VLATSVSCAMALLN------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KV1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -102940 for 2046 contacts (-50.3/contact) +
2D Compatibility (PS) -25131 + (NN) -10609 + (LL) 8748
1D Compatibility (HY) -9200 + (ID) 3500
Total energy: -142632.0 ( -69.71 by residue)
QMean score : 0.460
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