Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIKKLLGLTTTVVISALILGACGQSKNEDAKVVRVGTMVKSKTEKARWDKIEELVKKKGVKLKFTEFTDYTQPNKALESDEIDINAFQHYNYLNNWNKANKTNLVSVAETYFTSFRLYSGTKNGKGKYQTVSEIPNKATITIPNDAVNESRSLYLLQSAGLLKLKVSGDTLATMSDVVSNPKSLDLKEVDAAQTARSLDSTDAAVINNDFVTEAGIN-PKSAIFIE-PKSKNAKQWYNLLVAQKGWQDKSKAKAIKEVVKAYHTDAVKKVIEKTSQGLDQPVW |
4IB2 Chain:A ((6-246)) | --------------------------SSEDAKTIKVAASATPHAE--ILEQAKSILKKEGYQLEVTVFDDYVQPNEVVESGEFDANYFQHVPYLESFNEEKGTHLVDAGDIHYEPFGIYPGTK------KSLDEISEGDKIAVPNDTTNEARALLLLQDNGIITLKDGAGLNATVNDIEENPYNVEIVELEAAQVARVTGETAYVVLNGNYALEAGYSVAKDALAYEKSDSEAAKTYVNIIAVKEGNEKEEKIQAL---VKALKSDEIKEYIEKTYDGAVIPFE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IB2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -48166 for 2002 contacts (-24.1/contact) +
2D Compatibility (PS) -25436 + (NN) -9653 + (LL) 2688
1D Compatibility (HY) -15600 + (ID) 4450
Total energy: -100617.0 ( -50.26 by residue)
QMean score : 0.488
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