Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAYIIETLIKILILVAVFSALGGFATYIERKVLAYFQRRLGPCYVGPFGLLQVAADGIKLFTKEDIIPQGANKFIFTLAPIIAMVSAFVSMAPIPFFPNFTLFGYEIKPLISDINIGFLFFLAVGSAGIYAPILAGLASNNKYSLIGSARATIQLLSFEVVSTLTILAPLMVVGSLSLVEINHYQSGGFLDWLVFKQPLAFVLFLIASYAELNRTPFDLLEHEAEIVAGYCTEYSGLKWGMFFLAEYAHLFAFSFVISIVFFGGFNAWGFIPGGIAILIKAGFFVFLSMWVRATYPHVRPDQLMNMCWKIMLPLALLNIVLTGIVILI |
2KPA Chain:A ((4-18)) | ----------------------------------------------------DPFYEMLA-ARKKRISVKKKQEQP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 1086 for 58 contacts (18.7/contact) +
2D Compatibility (PS) -1399 + (NN) 257 + (LL) 26080
1D Compatibility (HY) 400 + (ID) 100
Total energy: 26324.0 ( 453.86 by residue)
QMean score : -0.193
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