Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLVEIDGATLRYGALTALSGLDLRLEPGEVLGLLGHNGAGKTTTIKLVLGLLAPSEGRVRVLG---HDARSL-EARRQLGYLPENVTFYPQLSGAETL-------RHFARLKGVAPAEAARLLEQVGLGHAARRRLKTYSKGMRQRLGLAQALLGEPRLLLLDEPTVGLDPLATVELYQLLDRLRGQGTGIVLCSHVLPGVETHIDRAAILAGGRLQVAGSLAELRRKAALPTRVRLASPHNPQWLERWHRAGLAARRLDDQRIEVLLDDAERDGVLEALLAAREFDLEILPPSLEDLYRHHMSPAPAGATPCP |
4U02 Chain:D ((14-225)) | ------------FGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREK--AEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEI----------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4U02.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -121643 for 1556 contacts (-78.2/contact) +
2D Compatibility (PS) -21533 + (NN) -5270 + (LL) 7260
1D Compatibility (HY) -13600 + (ID) 3500
Total energy: -158286.0 ( -101.73 by residue)
QMean score : 0.481
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