Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVDTYTETTKIDKLLKKPTSHFQLSTTQLYNKILDNNEGVLTELGAVNASTGKYTGRSPKDKFFVSEPSYRDNIDWGEINQPIDEETFLKLYHKVLDYLDKKDELYVFKGYAGSDKDTMLKLTVINELAWHNLFAKNMFIRPE--SKEEATKIKPNFTIVSAPHFKADPEVDGTKSETFVIISFKHKVILIGGTEYAGEMKKGIFSVMNYLLPMQDIMSMHCSANVGEKGDVALFFGLSGTGKTTLSADPHRKLIGDDEHGWNKNGVFNIEGGCYAKAINLSKEKEPQIFDAI-KYGAILENTVV-AEDGSVDFEDNRYTENTRAAYPINHIDNIVVPSKAAHPNTIIFLTADAFGVIPPISKLNKDQAMYHFLSGFTSKLAGTERGVTEPEPSFSTCFGAPFFPLHPTVYADLLGELIDLHDVDVYLVNTGWTGGKYGVGRRISLHYTRQMVNQAISGKLKNAEYTKDSTFGLSIPVEIEDVPKTILNPINAWSDKEKYKAQAEDLIQRFEKNFEKFGEKV-EHIAEKGSFNK |
2PC9 Chain:B ((24-525)) | -----------------------------LVEHTLLRGEGLLAHHGPLVVDTTPYTGRSPKDKFVVREPEVEGEIWWGEVNQPFAPEAFEALYQRVVQYLSERD-LYVQDLYAGADRRYRLAVRVVTESPWHALFARNMFILPRRF-------FVPGFTVVHAPYFQAVPERDGTRSEVFVGISFQRRLVLIVGTKYAGEIKKSIFTVMNYLMPKRGVFPMHASANVGKEGDVAVFFGLSGTGKTTLSTDPERPLIGDDEHGWSEDGVFNFEGGCYAKVIRLSPEHEPLIYKASNQFEAILENVVVNPESRRVQWDDDSKTENTRSSYPIAHLENVVESGVAGHPRAIFFLSADAYGVLPPIARLSPEEAMYYFLSGYTAR--------TEPRATFSACFGAPFLPMHPGVYARMLGEKIRKHAPRVYLVNTGWTGGPYGVGYRFPLPVTRALLKAALSGALENVPYRRDPVFGFEVPLEAPGVPQELLNPRETWADKEAYDQQARKLARLFQENFQKYASGVAKEVAEAG---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PC9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217321 for 4312 contacts (-50.4/contact) +
2D Compatibility (PS) -52050 + (NN) -25628 + (LL) 3108
1D Compatibility (HY) -51200 + (ID) 13250
Total energy: -356341.0 ( -82.64 by residue)
QMean score : 0.634
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