Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRDNIIIITGITASGKSELCDNLIKKYGNISIVNCDSKQVYKEIPIITAQPPKQE---EFYRLYGCVPAK-ENYSVGLWLEDLKGEVDHALENARMPIITGGSGLYISSLINSLSPIPKVSEEIRKNVSELRKNLSKEEFYKLVLSKDSKIQGKISTNDLHRLSRALEVITATGKSIFVWQESRQLPLFDN-FKIYTILPKREDVYRKINSRFVTMIESGAVDEVKKLLNMNLA-------PHLPAMRAHGVPEIIKYLKGK-----------------ITLSEAIQIAQTNTRHYAKRQYTWFKNQFPNSEVIDCANKLIEFEIF |
3A8T Chain:A ((39-292)) | -KEKLLVLMGATGTGKSRLSIDLAA-HFPLEVINSDKMQVYKGLDITTNKISVPDRGGVPHHLLGEVDPARGELTPADFRSLAGKAVSEITGRRKLPVLVGGSNSFIHALLVDRFDSS--GP-----------------------------------------------------------------ELRYDCCFLWVDVSVKVLTDYLAKRVDDMLELGMFDELAEFYSPEDEDHDEDSATRTGLRKAIGVPEFDRYFEKFRPGDVEGEDPGRDRVRRGAFEEAVRAIKENTCHLAKRQIGKILRLKGAGWDLRRLDATESFRAA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A8T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110105 for 1634 contacts (-67.4/contact) +
2D Compatibility (PS) -22975 + (NN) -12639 + (LL) 5620
1D Compatibility (HY) -7600 + (ID) 2300
Total energy: -149999.0 ( -91.80 by residue)
QMean score : 0.480
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