Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VTFERLGTMNVNAEGHLEIGGVDTLKLADKYGTPLYVYDVALIRDRARGFKKTFEELGVKAQVAYASKAFSAVAIYQLMAEEGLSLDVVSGGELFTAIKANFPPERIHFHGNNKSAEEIHMALDYGIGCFVIDNYYEISLLEDILIERNEKASVLIRVTPGIEAHTHDYILTGQDDSKFGFGLTNGQAEKAIKQVLHA--SASFDLIGLHCHIGSQIFETTGFKLAARRIMDKLVEWHQTLGFDSKVLNLGGGFGVRYTAEDEPLEPSEYVRQIMDEVRDVAESNDIDIPEIWIEPGRSLVGEAGTTLYKVGSRKEVPGIRNYIAVDGGMSDNIRPALYDAHYDAVLAANPEKVAE-ETVAIAGKCCESGDMLIWDLPLPKSNAGEVLAVFCTGAYGYAMASNYNRIPRPPVVFVENGVDKLIVARETYENLVQNDLSL |
3C5Q Chain:A ((26-414)) | -------------------------ELFQTHKTPFYLYDFDKIKQAFLNYKEAFK--GRKSLICYALKANSNLSILSLLAHLESGADCVSIGEIQRALKAGIKPYRIVFSGVGKSAFEIEQALKLNILFLNVESFMELKTIETIAQSLGIKARISIRINPNIDAKTHPYLSTGLKENKFGVG-----EKEALEMFLWAKKSAFLEPVSVHFHIGSQLLDLEPIIEASQKVA-KIAKSLIALGIDLRFFDVGGGIGVSYENE-ETIKLYDYAQGILNALQ------GLDLT-IICEPGRSIVAESGELITQVLYEKK--NKR-FVIVDAGMNDFLRPSLYHAKH-AIRVITPS---EISPCDVVGPVCESSDTFLKDAHLPELEPGDKIAIEKVGAYGSSMASQYNSRPKLLELALED-KIRVIRKREALEDL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C5Q.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -277848 for 3313 contacts (-83.9/contact) +
2D Compatibility (PS) -41562 + (NN) -17613 + (LL) 2668
1D Compatibility (HY) -27200 + (ID) 6850
Total energy: -368405.0 ( -111.20 by residue)
QMean score : 0.558
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