Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIVLVAIALLISGCASYKITPEHVTSYNNGIQVMTSTQARSKVQLEIAQSKLKGLNESPLVLYVAAQVLEG---KPVVFSRKAISVSINQTNLPVLSLRQVMKSSFDFEGILQSFNISVPTAPIDNINMITPPMFYYGQGSFLAYNGMMYGGMGMYGPGFGMMMMDDVEEQEVMQESRQALKILAINYLKKNTLNVENKAKGGFVVVDTKNLKTPGVVVVKVFLEDEIHTFKIDISKM |
3SHG Chain:B ((1-61)) | -------------------------------VLSEEEIEYRRRDARNALASQRLEGLEPDPQVVAQMERVVVGELETSDVIKDLMERIKREE---------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SHG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 3200 for 304 contacts (10.5/contact) +
2D Compatibility (PS) -6205 + (NN) -2893 + (LL) 12644
1D Compatibility (HY) -400 + (ID) 500
Total energy: 5846.0 ( 19.23 by residue)
QMean score : 0.188
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