Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSTAFSSLPLSADLLANLDSLGYREMTPIQAQSLPLILQGHDLIAQAKTGSGKTAAFGLALLSPLNPRYFGCQALVLCPTRELADQVAKEIRRLARAADNIKVLTLCGGVPYGPQVASLEHGAHVVVGTPGRIQEHLRKGTLVLDGLNTLVLDEADRMLDMGFYDSIAEIIGQLPERRQTLLFSATYPDGIEKLAKTFMRDPRQVRVESLHADSQ-IEQRFFEIDPKQ-RMDAVVRLLQHFRPQSCVAFCQTRQQCQELADALKAQRISALALHGDLEQRERDQVLTVFANRSCNVLVATDVAARGLDIAALETVINVELARDPEVHIHRIGRSGRAGEKGLALSLVAPAEASRAQAIEDLQKQPLAWYALGQLKASPEPLLPPMSTLCIAGGRKDKVRPGDLLGALTGDAGLPGSAVGKIAIFDFQAFVAIERGLAHQALKRLSEGKIKGRSFKVRLL |
2HXY Chain:A ((39-393)) | ----TFDTMGLREDLLRGIYAYGFEKPSAIQQRAIKQIIKGRDVIAQSQSGTGKTATFSISVLQCLDIQVRETQALILAPTRELAVQIQKGLLALGDYM-NVQCHACIGGTNVGEDIRKLDYGQHVVAGTPGRVFDMIRRRSLRTRAIKMLVLDEADEMLNKGFKEQIYDVYRYLPPATQVVLISATLPHEILEMTNKFMTDPIRILVKRDELTLEGIKQFFVAVEREEWKFDTLCDLYDTLTITQAVIFCNTKRKVDWLTEKMREANFTVSSMHGDMPQKERESIMKEFRSGASRVLISTDVWARGLDVPQVSLIINYDLPNNRELYIHRIGRSGRYGRKGVAINFVKNDDIRILRDIEQYYSTQIDEMPMNVADLILE-------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HXY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -277797 for 2882 contacts (-96.4/contact) +
2D Compatibility (PS) -37843 + (NN) -11581 + (LL) 4616
1D Compatibility (HY) -33600 + (ID) 6200
Total energy: -362405.0 ( -125.75 by residue)
QMean score : 0.593
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