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:C ((6-352)) | ----------------------------VEAP-SVDARAWILMDYASGKVLAEGNADEKLDPASLTKIMTSYVVGQALKADKIKLTDMVTVGKDAWATGNPALRGSSVMFLKPGDQVSVADLNKGVIIQSGNDACIALADYVAGSQESFIGLMNGYAKKLGLTNTTFQTVHGLDAPGQFSTARDMALLGKALIHDVPEEYAIHKEKEFTFNKIRQPNRNRLLWSSNLNVDGMKTGTTAGAGYNLVASATQGDMRLISVVLGAKTDRIRFNESEKLLTWGFRFFETVTPIKPDATFVTQRVWFGDKSEVNLGAGEAGSVTIPRGQLKNLKASYTLTEPQLTAPLKKGQVVGTIDFQLNGKSIEQRPLIVMENVEEGG------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3ITB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -149643 for 2939 contacts (-50.9/contact) +
2D Compatibility (PS) -36426 + (NN) -9690 + (LL) 4352
1D Compatibility (HY) -30000 + (ID) 8400
Total energy: -229807.0 ( -78.19 by residue)
QMean score : 0.492
|
|
|