Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSNYAIILAAGKGTRMKSDLPKVMHKVSGITMLEHVFRSVQAIEPSKIVTVIGHKAELVRDVLGDKS-EFVMQTEQLGTGHAVMMAEEELATSKGHTLVIAGDTPLITGESLKNLIGFHVNHKNVATILTADAANPFGYGRIIRNSDDEVTKIVEQKDANDFEQQVKEINTGTYVFDNQSLFEALKDINTNNAQGEYYLTDVIGIFKEAGKKVGAYKLRDFDESLGVNDRVALATAEKVMRHRIARQHMVNGVTVVNPDSAYIDI--------DVEIGEESVIEPNVTLKGQTKIGKGTLLTNGSYLVDAQVGNDVTITN-SMVEESIISDGVTVGPYAHIRPGTSLAKGVHIGNFVEVKGSQIGENTKAGHLTYIGNAEVGCDVNFGAGTITVNYDGQNKFKTEIGSNVFIGSNSTLIAPLEIGDNALTAAGSTITDNVPIDSIAIGRGRQVNKEGYANKKPHHPSQK |
| 4E1K Chain:A ((8-449)) | ----AVILAAGKGTRMYSDLPKVLHTIAGKPMVKHVIDTAHQLGSENIHLIYGHGGDLMRTHLANEQVNWVLQTEQLGTAHAVQQAAPFFKDNE-NIVVLYGDAPLITKETLEKLI--EAKPENGIALLTVNLDNPTGYGRIIRENGN-VVAIVEQKDANAEQLNIKEVNTGVMVSDGASFKKWLARVGNNNAQGEYYLTDLIALANQDNCQVVAVQATDVMEVEGANNRLQLAALERYFQNKQASKLLLEGVMIYDP--ARFDLRGTLEHGKDVEIDVNVIIEGNVKLGDRVKIGTGCVLKN------VVIGNDVEIKPYSVLEDSIVGEKAAIGPFSRLRPGAELAAETHVGNFVEIKKSTVGKGSKVNHLTYVGDSEIGSNCNIGAGVITCNYDGANKFKTIIGDDVFVGSDTQLVAPVKVANGATIGAGTTITRDVGENELVITRVAQRHIQGWQRPI------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4E1K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -255282 for 3560 contacts (-71.7/contact) +
2D Compatibility (PS) -47219 + (NN) -20032 + (LL) 304
1D Compatibility (HY) -36800 + (ID) 9600
Total energy: -368629.0 ( -103.55 by residue)
QMean score : 0.506
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