Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKAVVLLNLGGPDSLSAVRPFLFNLFYDKRIINLPNPFRFFLAKFISAKRENNARKIYEQIGGKSPILENTKMQAEALERELNRSVFCHPSSVTLGPRKENWIPVSRIGMTSKLTKVFICMRYWHPFANEVVKSVKQFDPDEVILLPLYPQYSTTTTLSSIENWQKNAKQYGIKCNTK--IIRHHYDNQDFIEAHANLITK---HYKLA--SEVGKPRVLFSAHSLPLSVIKKGDPYALQVEETVKLIVKKLHIKDLDWSICYQSKIGPVKWLEPSTESELLRAKADGVP-VVLLPISFVSEHSETLVELDMEYKTIIKDGYYF----RIPTLSTNSLFIKCLAGLCINHS |
3HCP Chain:A ((4-322)) | -KTGILMLNMGGPETLGDVHDFLLRLFLDRDLMTLP--IQNKLAPAIAKRRTPKIQEQYRRIGGGSPIKIWTSKQGEGMVKLLDE----------LSP---NTAP----------HKYYIGFRYVHPLTEEAIEEMERDGLERAIAFTQYPQYSCSTTGSSLNAIYRYYNQVGRKPTMKWSTIDRWPTHHLLIQCFADHILKELDHFPLEKRSEV---VILFSAHSLPMSVVNRGDPYPQEVSATVQKVMERLEYCN-PYRLVWQSKVGPMPWLGPQTDESIKGLCERGRKNILLVPIAFTSDHIETLYELDIEYSQVLAKECGVENIRRAESLNGNPLFSKALADLVHSHI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HCP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -149770 for 2522 contacts (-59.4/contact) +
2D Compatibility (PS) -33572 + (NN) -21005 + (LL) 1396
1D Compatibility (HY) -24800 + (ID) 5800
Total energy: -233551.0 ( -92.61 by residue)
QMean score : 0.535
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