Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIKKLLGLTTTVVISALILGACGQSKNEDAKVVRVGTMVKSKTEKARWDKIEELVKKKGVKLKFTEFTDYTQPNKALESDEIDINAFQHYNYLNNWNKANKTNLVSVAETYFTSFRLYSGTKNGKGKYQTVSEIPNKATITIPNDAVNESRSLYLLQSAGLLKLKVSGDTLATMSDVVSNPKSLDLKEVDAAQTARSLDSTDAAVINNDFVTEAGIN-PKSAIFIE-PKSKNAKQWYNLLVAQKGWQDKSKAKAIKEVVKAYHTDAVKKVIEKTSQGLDQPVW |
4IB2 Chain:B ((10-246)) | ------------------------------AKTIKVAASATPHAE--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) -54181 for 1968 contacts (-27.5/contact) +
2D Compatibility (PS) -25291 + (NN) -10155 + (LL) 2700
1D Compatibility (HY) -15600 + (ID) 4350
Total energy: -106877.0 ( -54.31 by residue)
QMean score : 0.457
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