Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MWSFKSMFNTPEDPEKDAYEFYGKVQPGITTPTQKTCNFVALDLKSKDRDAIKAMFKKWTVMADRMMDGDTVGKTSNNPLMPPVDTGESIG-LGASKLTITFGISKSLM-KKIGLSSKIPDAFKDLPHFPNDQLIDDYSDGDIMIQACSNDSQVSFHAVHNLVRPFRDIVKVRWAQSGFIS-----AKGKETPRNLMAFKDGTINPRKSNQ--LKDYVFI-----DDGWAKHGTYCVVRRIQIHIETWDRTALEEQEATFGRKRHSGAPLTGGKEFDEIDLKAKDSHGEYIIDKDAHTRLAK----EANTSI-LRRAFNYVDGTDDRTGNFETGLLFIAFQK-ATKQFIDIQNNLGSNDKLNEYITHRGSASFLVLPGVSKGG-YLGETLFD |
| 3O72 Chain:A ((21-386)) | --------------------FYGEHQAGILTPQQAAMMLVAFDVLASDKADLERLFRLLTQRFAFLTQGGAAPETPN-PRLPPLDSGILGGYIAPDNLTITLSVGHSLFDERFGLAPQMPKKLQKMTRFPNDSLDAALCHGDVLLQICANTQDTVIHALRDIIKHTPDLLSVRWKREGFISDHAARSKGKETPINLLGFKDGTANPDSQNDKLMQKVVWVTADQQEPAWTIGGSYQAVRLIQFRVEFWDRTPLKEQQTIFGRDKQTGAPLGMQHEHDVPDY-ASDPEGKGIA-LDSHIRLANPRTAESESSLMLRRGYSYSLGVTN-SGQLDMGLLFVCYQHDLEKGFLTVQKRL-NGEALEEYVKPIGGGYFFALPGVKDANDYLGSALL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3O72.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120599 for 2827 contacts (-42.7/contact) +
2D Compatibility (PS) -36589 + (NN) -11775 + (LL) 756
1D Compatibility (HY) -28400 + (ID) 6700
Total energy: -203307.0 ( -71.92 by residue)
QMean score : 0.450
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