Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDW-KNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAV---ATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED |
4C5A Chain:A ((25-329)) | MTDKIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPV------------------DPKE------VDVTQLKSMGFQK-------------------VFIALHGRGGEDGTLQGMLELMGLPYTGSGVMASALSMDKLRSKLLWQGAGLPVAPWVALTRAEFEKGLSDKQLAEI-SALGLPVIVKPSREGSSVGMSKVVAENALQDALRLAFQHDEEVLIEKWLSGPEFTVAILGE---------EILPSIRIQPSGTFYDYEAKYLSDETQYFCPAGLEASQEANLQALVLKAWTTLGCKGWGRIDVMLDSDGQFYLLEANTSPGMTSHSLVPMAARQAGMSFSQLVVRILELA---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4C5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169934 for 2629 contacts (-64.6/contact) +
2D Compatibility (PS) -33238 + (NN) -15501 + (LL) 4044
1D Compatibility (HY) -23600 + (ID) 5700
Total energy: -243929.0 ( -92.78 by residue)
QMean score : 0.552
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