Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDW-KNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAV---ATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED |
4C5A Chain:B ((27-329)) | --DKIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPV------------------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) -170022 for 2600 contacts (-65.4/contact) +
2D Compatibility (PS) -33074 + (NN) -17700 + (LL) 4316
1D Compatibility (HY) -23200 + (ID) 5650
Total energy: -245330.0 ( -94.36 by residue)
QMean score : 0.545
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