Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAYIIETLIKILILVAVFSALGGFATYIERKVLAYFQRRLGPCYVGPFGLLQVAADGIKLFTKEDIIPQGANKFIFTLAPIIAMVSAFVSMAPIPFFPNFTLFGYEIKPLISDINIGFLFFLAVGSAGIYAPILAGLASNNKYSLIGSARATIQLLSFEVVSTLTILAPLMVVGSLSLVEINHYQSGGFLDWLVFKQPLAFVLFLIASYAELNRTPFDLLEHEAEIVAGYCTEYSGLKWGMFFLAEYAHLFAFSFVISIVFFGGFNAWGFIPGGIAILIKAGFFVFLSMWVRATYPHVRPDQLMNMCWKIMLPLALLNIVLTGIVILI |
4HE8 Chain:H ((7-328)) | VDPYWMVALKALLVVVGLLTAFA-FMTLIERRLLA--------------------------------------RFLFVLAPLISVVFALLAFGLIPFGPPGSFFGYQ--PWVINLDLGILYLFAVSELAVYGIFLSGWASGSKYSLLGSLRSSASLISYELGLGLALLAPVLLVGSLNLNDIVNWQKEH--GWLFLYAFPAFLVYLIASMAEAART------------------YSSIKWALFQMAEYIHFITASALIPTLFLGGWTMPVLEVPYLWMFLKIAFFLFFFIWIRATWFRLRYDQLLRFGWGFLFPLALLWFLVTALVVAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HE8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -250857 for 2094 contacts (-119.8/contact) +
2D Compatibility (PS) -28247 + (NN) -15272 + (LL) 3944
1D Compatibility (HY) -43600 + (ID) 5200
Total energy: -339232.0 ( -162.00 by residue)
QMean score : 0.362
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