Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ----------------------------------------------MTSIKTITPKDFIFRVLSGVAIGIVAGLVP-----NAILGEIFKYFMDYHPIFKTLLGVVVAIQF------------------TVPALIGAL-----VAMKFDLSPLAIAVVASAAYVGSGAAQFKNGAWMITGIGDLINTMITAAIAVLFILLIQHRV---------------GSMALIVF-PTVVGGISGA---IGVLILPY-----TKMITTAIGNMVNGFTELQPIVMSILISMVFSLIIISPLSTVAIAFAIGITGLAAGSASIGISATEAVLIIGTSKVNRL-GVP-LSVFFGGVKMMIPNMVK----YPILMLPILTTA----IVSGLVSALVGIHGTKESAGFGFIGMVG---PINAFKFMEVDSAWLS---------VLLIVVAFFVVPF---------------VTAWLADIIYRKVFRLYT--NDIFKFMG------------- |
| 4PE2 Chain:A ((3-498)) | IEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAAD-GGYAFKYENGKYDIKDVG-VDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLT---DEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNAAASNINKAKVASVESDYSSVKSAALSYYSDKNTMPPSGELDALETYMDTLPDKADIGGGYKLLLVNNKLALKIGDGTAADSVTLTKAQIEKLLSDIGPKKIYTENTLKTELQKNSTLKDGTLYIVLIDN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PE2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -357500 for 2579 contacts (-138.6/contact) +
2D Compatibility (PS) -34669 + (NN) 8252 + (LL) 700
1D Compatibility (HY) -5600 + (ID) 3450
Total energy: -392267.0 ( -152.10 by residue)
QMean score : 0.121
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