Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEPRKNVTDFVLLGFTQNPKEQKVLFVMFLLFYILTMVG---NLLIVVTVTVSETLGSPMSFFLAGLTFIDII-----YSSSISPRLISDLFFGNNSISFQSFMAQLFIEHLFGGSEVFL--LLVMAYDRYVAICKPL--------HYLV-IMRQWV----CVLLLVVSWVGGFLQSVFQLSIIYGLPFCGPNVIDHFFCDMYPLLKLACTDTHVIGLLVVANGGLSCTIAFLLLLISYGVILHSLKKLSQKGRQKAHS-TCSSHITVVVFFFVPCIFMCARPARTFS-------------IDKSVSVFYTVITPMLNPLIYTLRNSEMTSAMKKL |
2X72 Chain:A ((48-318)) | --------------------------------FLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLQGFFATL-------GGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGW-SRYIPEGMQCS-------CG--------IDYYTPHEETNNESFVIYMFVV-----HFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSCFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTT |
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General information:
TITO was launched using:
| RESULT:
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Template: 2X72.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192198 for 1678 contacts (-114.5/contact) +
2D Compatibility (PS) -22724 + (NN) 682 + (LL) 4492
1D Compatibility (HY) -4000 + (ID) 800
Total energy: -214548.0 ( -127.86 by residue)
QMean score : 0.123
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