Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------MKHLAPLIHIPFKALWLGTALSMFLSLNLNAEENPTKTEPKPAKGVKNKPKSPVTNVMMTNCDNLKDFNAKQKEVLKAAYQFGSKENLGYEMA---GIAWKESCAGTYKINFSDPSAGIYHA----YIPSVLKSYGHNNSPFLRN--------VMGELLIKDDAFASEVALKE-------LLYWKTRYHDNLKDMIKSYNKGSRWEKNEK---------------------------------ANADAEKYYEEIQDRIRRLKESKIFDSQSSNDQELQKSANSNLDLDPIGNAMPQTLAQTETQKSQIEKSQIEEAQTQKSQEMKEAASEQAIKKPLEKEKDKPMYLAQINSADFAPAKKSPKKPAKASPKRSSKNNISVKSNTKTASKNKEVCKNCSPGQRNAILANHITLMQEL-------- |
2W38 Chain:A ((7-438)) | IPHRLVGKALYESYYDHFGQMDILSD-----GSLYLIYRRATEHVGGSDGRVVFSKLEGGIWSAPTIVAQAGGQDFRDVAGGTMPSGRIV-AASTVYETGEVKVYVSDDSGVTWVHKFTLARGGADYNFAHGKSFQVGARYVIPLYAATGVNYELKWLESSDGGETWGEGSTIYSGNTPYNETSYLPVGDGVILAVARVGSGAGGALRQFISLDDGGTWTDQGNVTAQNGDSTDILVAPSLSYIYSEGGTPHVVLLYTNRTTHFCYYRTILLAKAVAGSSGWTERVPVYSAPAASGYTSQVVLGGRRILGNLFRETSSTTSGAYQFEVYLGGVPDFESDWFSVSSNSLYTLSHGLQRSPRRVVVEFARSSSPSTWNIVMPSYFNDGGHKGSGAQVEVGSLNIRLGTGAAVWGT-GYFGGIDNSATTRFATGYYRVRAWI |
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General information:
TITO was launched using:
| RESULT:
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Template: 2W38.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 134060 for 2638 contacts (50.8/contact) +
2D Compatibility (PS) -34689 + (NN) 20412 + (LL) 640
1D Compatibility (HY) 2400 + (ID) 1550
Total energy: 121273.0 ( 45.97 by residue)
QMean score : -0.039
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