Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGG------SRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDK-TVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVL-EPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN |
3ITB Chain:B ((7-352)) | -----------------------------EAP-SVDARAWILMDYASGKVLAEGNADEKLDPASLTKIMTSYVVGQALKADKIKLTDMVTVGKDAWATGNPALRGSSVMFLKPGDQVSVADLNKGVIIQSGNDACIALADYVAGSQESFIGLMNGYAKKLGLTNTTFQTVHGLDAPGQFSTARDMALLGKALIHDVPEEYAIHKEKEFTFNKIRQPNRNRLLWSSNLNVDGMKTGTTAGAGYNLVASATQGDMRLISVVLGAKTDRIRFNESEKLLTWGFRFFETVTPIKPDATFVTQRVWFGDKSEVNLGAGEAGSVTIPRGQLKNLKASYTLTEPQLTAPLKKGQVVGTIDFQLNGKSIEQRPLIVMENVEEGG------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ITB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150539 for 2947 contacts (-51.1/contact) +
2D Compatibility (PS) -36450 + (NN) -9189 + (LL) 4544
1D Compatibility (HY) -29600 + (ID) 8350
Total energy: -229584.0 ( -77.90 by residue)
QMean score : 0.505
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