Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQANELLIGAGPDGQPVGQAWRLANRHGLIAGATGTGKTVTLQHLAESFSDAGVAVFAADIKGDLCGIAAPGNPQGKVAERIASMPWLNYQPKAYPTTLWDIAGKTGHPLRTTISEMGPLLLANLLELTDSQQAALFAAFQVADREGLLLLDLKDLKALLNHLKDNPEILGEDRALFTGASGQALLRRLATLEQQGAEAFFGEPALQLEDILRPEPDGRGRIHLLDASRLVHEAPKVYATFLLWLLAELFEQLPERGDADKPVLALFFDEAHLLFNGTPKALRDRLEQVVRLIRSKGVGVYFVTQSPGDLPDDVLAQLGLRIQHGLRAFTAKEQKSLRAVADGFRPNPAFDTLGVLTELGIGEALVGTLEEKGTPAMVQRVAVAPPYSRIGPLSDSERAELVQRSPLKGRYDQPIDRESAYEVLANKAGAKPEVQGQATAQQESSSGVGGMAGQILGSLLSNSTVKSAMRQAANQLSRELVRGLLGSLMGGKKRR |
1GKI Chain:D ((54-107)) | --------------------------RHLLVNGATGTGKSVLLRELAYTGLLRGDRMVIVDPNGDM---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -4800 for 173 contacts (-27.7/contact) +
2D Compatibility (PS) -4350 + (NN) -1621 + (LL) 29200
1D Compatibility (HY) -2000 + (ID) 900
Total energy: 15529.0 ( 89.76 by residue)
QMean score : 0.193
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