Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRPFNRVHLIVMDSVGIGEAPDAADFKDEGSHTLRHTLEGFDQ-TLPNLEKLGLGNIDKLPVVNAVEQPEAYYTKLSEASVGKDTMTGHWEIMGLNIMQPFKVYPNGFPEELIQQIEEMTGRKVVANKPASGTQIIDEWGEHQMKTGDLIVYTSADPVLQIAAHEDIIPLEELYDICEKVRELTKDPKYLIGRIIARPYVGEPGNFTRTSNRHDYALKPFGKTVLDHLKDGGYDVIAIGKINDIYDGEGVTEAVRTKSNMDGMDQLMKIVKKDFTGISFLNLVDFDALYGHRRDKPGYAQAIKDFDDRLPELFSNLKEDDLVIITADHGNDPTAPGTDHTREYIPVIMYSPKFK-GGHALESDTTFSSIGATIADNFNVTLPEFGKSYLKELK |
4LRB Chain:A ((24-414)) | --NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTGADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LRB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -194225 for 3626 contacts (-53.6/contact) +
2D Compatibility (PS) -42404 + (NN) -20263 + (LL) 324
1D Compatibility (HY) -45200 + (ID) 12700
Total energy: -314468.0 ( -86.73 by residue)
QMean score : 0.613
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