Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGDSRDSRSPDSSSVSSPPSGQRSPPLAPSAAAMTSLPPITSAVNSPISSMGSPFSVISSSLGSPCLPGTPSVGYGPISSPQINSTVSMSGLHAVSSSDDVKPPFGLKPLSSHSPGPMVSQKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLSYTCRDNKDCLVDKRQRNRCQYCRYQKCLAMGMKREVVQDERQRSVQEERQRNKERDGEVESSSAANEEMPVEKILEAEMAVEQKTELHADGSSGGSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELSLDDQVILLRAGWNELLIASFSHRSITVKDGILLATGLHVHRNSAHSAGVGAIFDRESAHNAEVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIILFNPDAKGLSSPSEVELLREKVYASLEAYCKQRYPDQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQLT |
1XIU Chain:A ((4-224)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDMPVEQILEAELAVDPKIDTYIDAQ------KDPVTNICQAADKQLFTLVEWAKRIPHFTELPLEDQVILLRAGWNELLIAGFSHRSIMAKDGILLATGLHVHRSSAHQAGVGTI--------------FDRVLTELVAKMRDMKMDKTELGCLRAVVLFNPDAKGLTAVQEVEQLREKVYASLEEYTKSRYPEEPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDQPIDTFLMEMLE------ |
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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) -122134 for 1661 contacts (-73.5/contact) +
2D Compatibility (PS) -24103 + (NN) -18019 + (LL) 8084
1D Compatibility (HY) -30400 + (ID) 9100
Total energy: -195672.0 ( -117.80 by residue)
QMean score : 0.471
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