Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVGCPEPEPPRSLTCCGPGTAPGPGAGVPLLTEDMQALTLRTLAASDVTKHYELVRELGKGTYGKVDLVVYKGTGTKMALKFVNKSK---TKLKNFLREVSITNSLSSSPFIIKVFDVVFETEDCYVFAQEYAPAGDLFDIIPP----------------Q----------------VGL--------PEDTVKRCVQQLGLALDFMHGRQLVHRDIKPENVLLFDRECRRVKLADFGMTRRV-----GCRVKRVSGTIPYTAPEVCQAGRADGLAVDTGVDVWAFGVLIFCVLTGNFPWEAASGADAFFEEFVRWQRGRLPGLPSQWRRFTEPALRMFQRLLALEPERRGPAKEVFRFLKHELTSELRRRPSHRARKPPGDRPPAAGPLRLEAPGPLKRTVLTESGSGSRPAPPAVGSVPLPVPVPVPVPVPVPVPEPGLAPQGPPGRTDGRADKSKGQVVLATAIEICV |
3HKO Chain:A ((22-337)) | ----------------------------------------------LELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQKDVERIKTEVRLMKKL-HHPNIARLYEV-YEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSI--FRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNKSFEIKLVDFGLSKEFYKLNNG------AGTPYFVAPEVLNTT---NESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDA----DTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRAL---QHPWISQFSDKIYKMS----------------------------------------------------------------------------------------------- |
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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) -151928 for 1977 contacts (-76.8/contact) +
2D Compatibility (PS) -26988 + (NN) -14129 + (LL) 4296
1D Compatibility (HY) -21200 + (ID) 3500
Total energy: -213449.0 ( -107.97 by residue)
QMean score : 0.445
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