Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VNDRQAALDQALKQIEKQFGKGSIMKLGEHSDQNISTISSGSLALDIALGVGGYPRGRIIEVYGPESSGKTTVALHAIAEVQAQGGTAAFIDAEHALDPAYAKNLGVNIDELLLSQPDTGEQALEIAEALVRSGAVDMLVIDSVAALVPRAEIEGEMGDAHVGLQARLMSQALRKLSGVINKSKTIAIFINQIREKVGVMFGNPEITPGGRALKFYSTVRLEVRRAEQLKQGTDVMGNKTKIKVVKNKVAPPFRIAEVDIMYGEGISREGELVDMAAEVDVINKSGSWYSYKEERIGQGRENAKQYLKEHTDIRDEISKRVREEYEIDGSSKEPLDEKEETLSLLDDE |
4PQY Chain:A ((6-330)) | --DREKALELAVAQIEKSYGKGSVMRLGDEARQPISVIPTGSIALDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGVAAFIDAEHALDPDYAKKLGVDTDSLLVSQPDTGEQALEIADMLIRSGALDIVVIDSVAALVPRAELEGEMGDSHVGLQARLMSQALRKMTGALNNSGTTAIFINQLR------------TTGGKALKFYASVRMDVRRVETLKDGTNAVGNRTRVKVVKNKCSPPFKQAEFDILYGKGISREGSLIDMGVDQGLIRKSGAWFTYEGEQLGQGKENARNFLVENADVADEIEKKIKEKLGI--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PQY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132589 for 2620 contacts (-50.6/contact) +
2D Compatibility (PS) -34802 + (NN) -16978 + (LL) 1452
1D Compatibility (HY) -33200 + (ID) 10300
Total energy: -226417.0 ( -86.42 by residue)
QMean score : 0.612
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