Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -----------------------MENQNNVTEFILLGLTENLELWKIFSAVFLVM----YVATVLENLLIVVT--IITSQS-LRSPMYFFLTFLSLLDVMFSSVVAPKV--IVDTLSKSTTISL-KGCLTQLFVEHFFGG-VGIILLTVMA--YDRYVAI--CKPLHYTIIMSPRVCCLMV------GGAW---VGGFMHAMIQLLFM------------------------YQIPFC-GPNIIDHFICDLFQLLTLACTDTHILGLLVTL-NSGMMCVAIFL-I-L--IASYTVILCSLKSYSSK-GR------------------HKALSTCSSHLTVVVL-----------FFVPCIFLYMRPVV-THPIDKAMAV-----------------SDS-IITPMLNPLIYTLRNAEVKSAMKKLWMKWEALAGK |
4BUC Chain:A ((16-448)) | PRGSHMKIGFLGFGKSNRSLLKYLLNHQEAKFFVSEAKTLDGETKKFLEEHSVEYEEGGHTEKLLDCDVVYVSPGIKPDTSMIELLSSRGVKLSTELQFFLDNVDPKKVVGITGTDGKSTATALMYHVLSGRGFKTFLGGNFGTPAVEALEGEYDYYVLEMSSFQLFWS--ERPYLSNFLVLNISEDHLDWHSSFKEYVDSKLKPAFLQTEGDLFVYNKHIERLRNLEGVRSRKIPFWTDENFATE------KELIVRGKKYTLPGNYPYQMRENILAVSVLYMEMFNELESFLELLRDFKPLPHRMEYLGQIDGRHFYNDSKATSTHAVLGALSNFDKVVLIMCGIGKKENYSLFVEKASPKLKHLIMFGEISKELAPFVGKIPHSIVENMEEAFEKAMEVSEKGDVILLSPGGASFAKRGEHFREIFKRHGGD |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BUC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -268439 for 1976 contacts (-135.8/contact) +
2D Compatibility (PS) -30699 + (NN) 5454 + (LL) 1032
1D Compatibility (HY) -10400 + (ID) 2750
Total energy: -305802.0 ( -154.76 by residue)
QMean score : 0.165
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