Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNDSAPPSNETEIRFSVLLVDDEPLILSSLRRLLRNQPYDLLLAESGEQALQLLESRPVDLVVSDARMPNMDGAALLAEIHRRSPETIRILLTGHADLPTIAKAINEGRIHHYLSKPWNDDELLLTLRQSLEYLHSERERRRLERLTQEQNDRLQQLNATLEKRVQARTAELQQTADMLDLAYEELKRSYVVGTE-VFSLLVNQRLPKDKQTNQQIIELVRACCASGLVDESDGRDLAMAAALYNIGKLSWNDTLLSSPSDLLYHHDRDRFRGYPELSESLLMSLEPMQDAARLIRHHQEHWDGSGYPDHLKGEAIPLGSRLLKLAVDFVELQRGLILERRMNRDEALMYIRKYAGRLYD-PELIEPFIQVCATTL-ADVTLADPQVRAHGTRDLVPGMVLARNLTANNGMLLLNAGKVLNLALIEKLIAFEAIEGARYTLFVRLPESTT |
| 1NY5 Chain:A ((1-384)) | --------------MNVLVIEDDKVFRGLLEEYLSMKGIKVESAERGKEAYKLLSEKHFNVVLLDLLLPDVNGLEILKWIKERSPETEVIVITGHGTIKTAVEAMKMG-AYDFLTKPCMLEEIELTINKAIEHRKLRKENELLRREKDLKEEEYV-----------FESPKMKEILEKIKKISCAECPVLITGESGVGKEVVARLIHKLSDRSKEPFVALNV---------ASIPRDIFEAELFGYEKGAFTGAVSSKEGFFELADG-----GTLFLDEIGELSLEAQAKLLRVIESGKFYRLGGRKEIEVNVRILAATNRNIKELVKEGKFREDLYYRL----GVIEIEIPPLRERKEDIIPLANHFLKKFSRKYAKEVEGFTKSAQELLLSYPWYG----------------------NVRELKNVIERAVLFSEGKFIDRGELSCLV |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NY5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113831 for 2961 contacts (-38.4/contact) +
2D Compatibility (PS) -41136 + (NN) -15765 + (LL) 4588
1D Compatibility (HY) -14400 + (ID) 3450
Total energy: -183994.0 ( -62.14 by residue)
QMean score : 0.492
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