Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNFKYLFVLMLAVIVFAAACGNSSSLDNQKNASNDSDSKSGGYKPKELTVQFVPSQNAG-------TLEAKAKPLEKLLSKEL-------GIPVKVSVSTNYNTIVEAMKSKKVDVGFLPPTAYTLAHDQKAADLLLQAQRFGVKEDGSASKELVDSYKSEILVKKDSKIKSLKDLKGKKIALQDVTSTAGYTFPLAMLKNEAGINATKDMKIVNVKGHDQAVISLLNGDVDAAAVFNDARNTVKKDQPNVFKDTRILKLTQAIPNDTISVRPDMDKDFQEKLKKAFIDIAKSKEGHKIISEVYSHEGYTETKDSNFDIVREYEKLVKDMK |
2VHA Chain:A ((11-248)) | ----------------------------------------DKIAKNGVIVVGHRESSVPFSYYDNQQKVVGYSQDYSNAIVEAVKKKLNKPDLQVKLIP-ITSQNRIPLLQNGTFDFECGS-TTNNVERQK-Q--AAFSD--------------TIFVVGTRLLTKKGGDIKDFADLKGKAVVVTSGTTSEVLL--NKLNEE-QKM---N-MRIISAKDHGDSFRTLESGRAVAFMMDDALLAGERAKAK-KPDNWDIVGKPQSQEAYGCMLRKD-DPQFKKLMDDTIAQVQTSGEAEKWFDKWFK-------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VHA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46533 for 1844 contacts (-25.2/contact) +
2D Compatibility (PS) -24673 + (NN) -9632 + (LL) 5048
1D Compatibility (HY) -7600 + (ID) 1700
Total energy: -85090.0 ( -46.14 by residue)
QMean score : 0.449
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