Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIVLVAIALLISGCASYKITPEHVTSYNNGIQVMTSTQARSKVQLEIAQSKLKGLNESPLVLYVAAQVLEGKPVVFSRKAISVSINQTNLPVLSLRQVMKSSFDFEGILQSFNISVPTAPIDNINMITPPMFYYGQGSFLAYNGMMYGGMGMYGPGFGMMMMDDVEEQEVMQESRQALKILAINYLKKNTLNVENKAKGGFVVVDTKNLKTPGVVVVKVFLEDEIHTFKIDISKM |
2AP3 Chain:A ((2-29)) | ------HMGIQRPTSTTTDK---KEIKAYLKQVDKIKDDEEPIKTVGKKIAELDEKKKKLTEDVNSKDTAVRGKAVKDLIKNADDRLKEFEKEEDAIKKSEQDFKKADNIDNDVKRKEVKQLDDVLKEKYKLHSDYAKAYKKAVNSEKTLFKYLNQNDATQQGVNEKSKAIEQNYKKLKEVSDKYTKVLNKVQKEKQDVD------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AP3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 2353 for 101 contacts (23.3/contact) +
2D Compatibility (PS) -2378 + (NN) 5385 + (LL) 4280
1D Compatibility (HY) 1600 + (ID) 100
Total energy: 11140.0 ( 110.30 by residue)
QMean score : -0.327
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