Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT |
1XIU Chain:B ((3-226)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NNDMPVEQILEAELAVDPKIDTYIDAQ--------KDPVTNICQAADKQLFTLVEWAKRIPHFTELPLEDQVILLRAGWNELLIAGFSHRSIMAKDGILLATGLHVHRSSAHQAGVGTIFDRVLTELVAKMRDMKMDKTELGCLRAVVLFNPDAKGLTAVQEVEQLREKVYASLEEYTKSRYPEEPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDQPIDTFLMEMLENP---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XIU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129674 for 1812 contacts (-71.6/contact) +
2D Compatibility (PS) -24849 + (NN) -20105 + (LL) 7432
1D Compatibility (HY) -32000 + (ID) 9550
Total energy: -208746.0 ( -115.20 by residue)
QMean score : 0.661
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