Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTAAGLSGIDLTDLDNFADGFPHHLFAIHRREAPVYWHRPTEHTPDGEGFWSVATYAETLEVLRDPVTYSSVTGGQRRFGGTVLQDLPVAGQVLNMM--DDPRHTRIRRLVSSGLTPRMIRRVEDDLRRRARGLLDGV------EPGAPFDFVVEIAAELPMQMICILLGVPETDRHWLFEAVEPGFDFRGSRRATMPRLNVEDAGSRLYTYALELIAGKRAEPADDMLSVVANATIDDPDAPALSDAELYLFFHLLFSAGAETTRNSIAGGLLALAENPDQLQTLRSDFELLPTAIEEIVRWTSPSPSKR-RTASRAVSLGGQPIEAGQKVVVWEGSANRDPSVFDRADEFDITRKPNPHLGFGQGVHYCLGANLARLELRVLFEELLSRFGSVRV-VEPAE--WTRSNRHTGIRHLVVELRGG |
2CA0 Chain:B ((34-426)) | --------VLDLGALGQDFAADPYPTYARLRAEGPAHRVR----TPEGDEVWLVVGYDRARAVLADP-RFSK----DWRNSTTPLTEAEAALN-HNMLESDPPRHTRLRKLVAREFT---MRRVEL-LRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRA-AFRVWTDAFVFPDDP------AQAQTAMAEMSGYLSRLIDSKRGQDGEDLLSALVRTS--DEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIRWR-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CA0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156225 for 3175 contacts (-49.2/contact) +
2D Compatibility (PS) -41316 + (NN) -25361 + (LL) 1416
1D Compatibility (HY) -26800 + (ID) 7300
Total energy: -255586.0 ( -80.50 by residue)
QMean score : 0.435
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