Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVKQGDTLSAIASQYRTTTNDITETNEIPNPDSLVVGQTIVIPIAGQFYDVKRGDTLTSIARQFNTTAAELARVNRIQLNTVLQIGFRLYIPPA-PKRDIESNAYLEPRGNQVS-ENLQQAAREASPYLTYLGAFSFQAQRNGTLVAPPLTNLRSITESQNTTLMMIITNLENQAFSDELGRILLNDETVKRRLLNEIVENARRYGFRDIHFDFEYLRPQDREAYNQFLREARDLFHREGLEISTALAPKTSATQQGRWYEAHDYRAHGEIVDFVVLMTYEWGYSGGPPQAVSPIGPVRDVIEYALTEMPANKIVMGQNLYGYDWTLPYTAGGTPARAVSPQQAIVIADQNNASIQYDQTAQAPFFRYTDAENRRHEVWFEDARSIQAKFNLIKELNLRGISYWKLGLSFPQNWLLLSDQFNVVKKTFR |
4S3K Chain:A ((9-432)) | -VKAGDSIYSIAKQFRIDAGKIIRANELPNPNQLVIGQSMVIPINGTYYTVKAGDTIWKVGRKLGVSYQAIANANNVSVTAPLTPGRRILIPPSPNKRNGEFLGYVETSNRKITPQT-EKMINQNAKYLTYLGPANFEVQKDGSLKAPPLNNLGSIAKENDVIFLMVLANIENGAFSDEVGRAILNNKDVQDTLLNNIVKTAKEQNFRDIHFDFEFLRPADKEAYIAFLQKAKKRLQDEQLLMSVALAPKTSRDQKGKWYEAHDYKAIGEIANFVVPMTYE----GGPPMAVSPIGPVRDVLEYAVSEIPSSKIIMGQNLYGYDWTLPYKPGGEYAKAISPQRAIELAARYKVAIQYDNKAQAPFFRYKDEQQRTHEVWFEDARSIQAKFDLIKELKLRGMAYWKLGLDFPQNWLLIEDNFKITKR--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4S3K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -183519 for 3482 contacts (-52.7/contact) +
2D Compatibility (PS) -44590 + (NN) -11145 + (LL) 716
1D Compatibility (HY) -42800 + (ID) 11450
Total energy: -292788.0 ( -84.09 by residue)
QMean score : 0.575
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