Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTP-TDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKC---------------Q--------------GA---------LHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLLDKD--FNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSI--PYQPKVYDIWSLGVILYIMVCGSMPYDDSDIRKMLRIQKEHRVDF--PRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
3HKO Chain:A ((26-337)) | ---------KKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ-KDVERI-KTEVRLMKKLHHPNIARLYEVYEDE-QYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSIFRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNKSFEIKLVDFGLSKEFYKLNNG--------AGTPYFVAPEVLNTTNESYGPK-CDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQFSDKIYKMS--------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150015 for 1969 contacts (-76.2/contact) +
2D Compatibility (PS) -27698 + (NN) -17426 + (LL) 5632
1D Compatibility (HY) -20800 + (ID) 4150
Total energy: -214457.0 ( -108.92 by residue)
QMean score : 0.449
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