Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASHLELNNGTKMPTLGLGTWKSPPGQVTEAVKVAI-DMGYRHIDCAQVYQNEKEVGVALQEKLKEQVVKRQDLFIVSKLWCTFHDQSMVKGACQKTLSDLQLDYLDLYLIHWPTGFKPGPDYFPLDASGNVIPSDTDFVDTWTAMEQLVDEGLVKAIGVSNFNPLQIERILNKPGLKYKPAVNQIECHPYLTQEKLIEYCHCKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKEIAAKYNKTTAQVLIRFPIQRNLVVIPKSVTPARIAENFKVFDFELSNEDMATLLSYNRNWRVCALMSCAKHKD-YPFHAEV |
2BGS Chain:A ((38-334)) | --DHFVLKSGHAMPAVGLGTWRAGS-DTAHSVRTAITEAGYRHVDTAAEYGVEKEVGKGLKAAMEAGI-DRKDLFVTSKIWCTNLAPERVRPALENTLKDLQLDYIDLYHIHWPFRLKDGAH-MPPEAGE-V--LEFDMEGVWKEMENLVKDGLVKDIGVCNYTVTKLNRLLRSAK--IPPAVCQMEMHPGWKNDKIFEACKKHGIHITAYSPLGSSEK--------NLAHDPVVEKVANKLNKTPGQVLIKWALQRGTSVIPKSSKDERIKENIQVFGWEIPEEDFKVLCSIKDEKRVLTGEELFVNKTHGPYR--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BGS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -189288 for 2529 contacts (-74.8/contact) +
2D Compatibility (PS) -32024 + (NN) -18917 + (LL) 1100
1D Compatibility (HY) -24000 + (ID) 6350
Total energy: -269479.0 ( -106.56 by residue)
QMean score : 0.701
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