Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MENTEQEHNLPEGDETQWPNGVKRKRKNSQCSMNSTSDKSISVPGYVPSYLEKDEPCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYDSCCIIDKITRNQCQLCRFRKCISVGMAMDLVLDDSKRVAKRRLIEENREKRKKEEIVKTLHNRPEPTVSEWELIRMVTEAHRHTNAQGPHWKQKRKFLPEDIGQSPAPTSDNDKVDLEAFSEFTKIITPAITRVVDFAKKLPMFSELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLSGEMAVSREQLKNGGLGVVSDAIFDLGKSLSQFNLDDSEVALLQAVLLMSSDRSGLTCVEKIEKCQEMYLLAFEHYINHRKHNISHFWPKLLMKVTNLRMIGACHASRFLHMKVECPTELFPPLFLEVFEDQEGSTGVAAQEDGSCLR |
2PIN Chain:A ((2-252)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------HKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAP-----GGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFRLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFE------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2PIN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -160682 for 1995 contacts (-80.5/contact) +
2D Compatibility (PS) -26661 + (NN) -23388 + (LL) 9728
1D Compatibility (HY) -34800 + (ID) 10600
Total energy: -246403.0 ( -123.51 by residue)
QMean score : 0.560
|
|
|