Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMPDYHALIVGAGFSGIGAAIKLDRAGFSDYLVVEAGDGVGGTWHWNTYPGIAVDIPSFSYQF----SFEQSRHWSRTYAPGHELKAYAEHCVDKYGIRSRIRLNTKVLAAEFDDEHSLWRVQTDPGGEITARFLISACGILTVPKLPDIDGVDSFEGVTMHTARWDHTQ------DLTGKRVGIIGTGASAVQVIPEMAPIVSHLTVFQRTPIWCFPKFDVPL------------PTAVRWAM---------RIP-GGKAVHRLLSQAFVEATF--PIAAHYFAVF-PLAKHMESAG------RRYLRQQVHDPVVREQLTPR-YAVGCKRPGFHNTYLSTFNRDNVRLV---TEPIDKITPTAVATTDGASHEIDVLVLATGFKVLDTDSIPTYAVTGTGGASLSRFWDEHRLQAYEGVSVPGYPNFFTVFGPYGYVGSSYFALIET---QAHHIIRCLKRARRTGATRIEVTEEANARYFAEVMRRRHRQVFWQDSCRLANSYYFDKNGDVPLRPTTTVEAYWRSRRFDLGDYRISS |
3UP4 Chain:A ((8-495)) | --PALDAVVIGAGVTGIYQAFLINQAGMK-VLGIEAGEDVGGTWYWNRYPGCRLDTESYAYGYFALKGIIPEWEWSENFASQPEMLRYVNRAADAMDVRKHYRFNTRVTAARYVENDRLWEVTLDNEEVVTCRFLISATGPLSASRMPDIKGIDSFKGESFHSSRWPT--GAPKGVDFTGKRVGVIGTGATGVQIIPIAAETAKELYVFQRTPNWCTPLGNSPMSKEKMDSLRNRYPTILEYVKSTDTAFPYHRDPRKGTDVSESERDAFFEELYRQPGYGIWLSGFRDLLLNKESNKFLADFVAKKIRQRVKDPVVAEKLIPKDHPFGAKRVPMETNYYETYNRDNVHLVDIREAPIQEVTPEGIKTAD-AAYDLDVIIYATGFDAV-TGSLDRIDIRGKDNVRLIDAWAEGP-STYLGLQARGFPNFFTLVGPHN--GSTFCNVGVCGGLQAEWVLRMISYMKDNGFTYSEPTQAAENRWTEEV------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UP4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -298514 for 3469 contacts (-86.1/contact) +
2D Compatibility (PS) -46033 + (NN) -16113 + (LL) 3964
1D Compatibility (HY) -31600 + (ID) 8500
Total energy: -396796.0 ( -114.38 by residue)
QMean score : 0.500
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