Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNECHYDKHMDFFYNRSNTDTVDDWTGTKLVIVLCVGTFFCLFIFFSNSLVIAAVIKNRKFHFPFYYLLANLAAADFFAGIAYVFLMFNTGPV-SKTLTV-NRWFLRQGLLDS-SLTASLTNLLVIAVERHMSIMR-MRVHSNLTKKRVTLLILLVWAIAIFMGAVP-TLGW---------NCLCNISACSSLAPIYSRSYLVFWT-VSNLMAFLIMVVVYLRIYVYVKRKTNVLSPHTSGSISRRRTPMKLMKTVMTVLGAFVVCWTPGLVVLLLDGLNCRQCGVQHVKRWFLL--LALLNSVVNPIIYSYKDEDMYGTMKKMICCFSQENPERRPSRIPSTVLSRSDTGSQYIEDSISQGAVCNKSTS |
4LDE Chain:A ((188-462)) | -----------------------------------VMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVV--PFGAAHILTKTWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFT---NQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQ---KFA-------LKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVI---QDNLIRKEVYILLNWIGYVNSGFNPLIYC-RSPDFRIAFQELLCL------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216721 for 1853 contacts (-117.0/contact) +
2D Compatibility (PS) -26057 + (NN) -13817 + (LL) 4808
1D Compatibility (HY) -29200 + (ID) 3950
Total energy: -284937.0 ( -153.77 by residue)
QMean score : 0.321
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