Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLIHICCSVDNLYFLKKAKEAFA--GEKIVGFFYNPNIHPYSEYLLRLEDVKRTCEMLGIELLEGDYELEKFLDKAKGKELLGEKSERCFECFDLRLEASALKAFELGEEKFTTTLLTSPKKDPNQLIAKGQHIAQRHNLEFVVFRNDNFEHFKSELDLNLQALARENELYRQNYCGCQFALKIQKESQNRSPFELYSPLKRQILPASIEERTQVFRELDAAKKDANKPFLAQKTIATYRLLNGGVWLSKNSNPLDCCILARSKSKAKVRINDLRWVFSQRLSALVGYSQRDETLFLTLEGLNTLMAKNYDNLKELNLNPLSYEEELSLRALVSGSESINPIIVLEERTEKTLFVEIKSIFQEEKVFYLL |
| 3A2K Chain:A ((25-125)) | ----VSGGPDSLALLHVFLSLRDEWKLQVIAAHVDHMFRGRE-SEEEMEFVKRFCVERRILCETAQIDVPAFQRS--------AGLGAQEAARICRYRFFAELMEKHQAGYVAVGHHGDDQVETILMRLVRGSTSKGYAGIPVKRPFHGGYLIRPFLAVSRAEIEAYCRQMGLSPRCDPSNEKDDYTRNRFRHHIVPLLRQENPRLHERFQQYSEMMAEDEQFLEELAADALNKVMEKQHRDAALSIGPFLELPRPLQRRVLQLLLLRLYGGVPPTLTSVHIGHILMLCERGRPSGMIDLPKGLKVIRSYDRCLFTFDAESGEKGYWFELPVPALLPLPNGYAIISEFGEHYPRKQAGNDWFVVDPASVS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A2K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -22683 for 631 contacts (-35.9/contact) +
2D Compatibility (PS) -10605 + (NN) -4877 + (LL) 1120
1D Compatibility (HY) 1200 + (ID) 600
Total energy: -36445.0 ( -57.76 by residue)
QMean score : 0.430
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