Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLSKFGSLAHLCGPGGVDHLPVKILQPAKADKESFEKAYQVGAVLGSGGFGTVYAGSRIADGLPVAVKHVVKERVTEWGSLGGATVPLEVVLLRKVGAAGGARGVIRLLDWFERPDGFLLVLERPEPAQDLFDFITERGALDEPLARRFFAQVLAAVRHCHSCGVVHRDIKDENLLVDLRSGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSATVWSLGVLLYDMVCGDIPFEQD------EEILRGRLLFRRRVSPECQQLIRWCLSLRPSERPSLDQIAAHPWMLGADGGVPESCDLRLCTLDPDDVASTTSSSESL |
4BKY Chain:A ((4-267)) | -------------------------------DYDELLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTL--D----LPRIKTEIEALKNLR----HQHICQLYHVLETANKIFMVLEYCPG-GELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFD-EYHKLKLIDFGLCA------------SLAYAAPELIQGK---GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYPVEWQSKNPFIHLDDDCVTELSVHHRN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BKY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162521 for 1871 contacts (-86.9/contact) +
2D Compatibility (PS) -25623 + (NN) -15533 + (LL) 2628
1D Compatibility (HY) -24000 + (ID) 4150
Total energy: -229199.0 ( -122.50 by residue)
QMean score : 0.483
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