Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAAQGYGYYRTVIFSAMFGGYSLYYFNRKTFSFVMPSLV-EEIPLDKDDLGFITSSQSAAYAISKFVSGVLSDQMSARWLFSSGLLLVGLVNIFFAWSSTVPVFAALWFLNGLAQGLGWPPCGKVLRKWFEPSQFGTWWAILSTSMNLAGGLGPILATILAQSYSWRSTLALSGALCVVVSFLCLLLIHNEPADVGLRNLDPMPSEGKKGSLKEESTLQELLLSPYLWVLSTGYLVVFGVKTCCTDWGQFFLIQEKGQSALVGSS---YMSALEVGGLVGSIAAGYLSDRAMAKAGLSNYGNPRHGLLLFMMAGMTVSMYLFRVTVTSDSPKLWILVLGAVFGFSSYGPIALFGVIANESAPPNLCGTSHAIVGLMANVGGFLAGLPFSTIAKHYSWSTAFWVAEVICAASTAAFFLLRNIRTKMGRVSKKAE |
3WDO Chain:A ((21-375)) | ----------------------LRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAALSDSIWGIILGRALQGSGA--IAAAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPIITHKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRES--------G---MVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLAD-AGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKM--KQVFV-----------FCVGLIVVAEIVLWN---AQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVFLAGAMLAAVWLAVASTMKEPPYVSSLRIEIPA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WDO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -256749 for 2978 contacts (-86.2/contact) +
2D Compatibility (PS) -35180 + (NN) -3693 + (LL) 2076
1D Compatibility (HY) -15200 + (ID) 2500
Total energy: -311246.0 ( -104.52 by residue)
QMean score : 0.279
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