Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDIQKIRADFPILAQEINEKPLAYLDNAATSQKPKQVIEALTHYYEFDNANVHRGVHTLAARATDAYESARGKVAKFIHAREVAEIIFTRGTTSAINLVVDSYAEANIEAGDEIVISYLEHHSNLIPWQQLAKRKGAVLKYIELEEDGTISVEQAKKTIGEKTKIVALAHVSNVLGTITPIKEIAAIAHQFGAVILVDGAQAVPHMEVDVVDLDADFYAFSGHKMMAPTGIGALYGKRELLDAMEPTEFGGEMIDFVELYDSTWKELPWKFEAGTPIIGGAIALGAAIDYLAEVGLENIHAHEQALASYAMEEMSKIEGITIYGPKDASKRCGLVTFNLEGAHPHDIATILDEDGVAIRAGHHCAQPLMKWLDVSSTARASFYIYNTKEEIDALIDGLKLTKEYFGL |
4W91 Chain:E ((20-422)) | --DVEAIRRDFPILSRQVHGKTLVYLDNGASAQKPQSVIDAVTHAYANEYANVHRGLHFLSNAATDAYEKSRETVRRFLNAGSVDEIVFTKNATEAINTVAYGYGMPFIGEGDEILLSIMEHHSNIVPWHFIRERQGAKLVFTPVDDNGVFHIEEFEKRLSERTKLVAITHMSNTLGTVVPIKKIVELAHARGIPVLVDGSQGAVHLPVDVQDLGCDWYVFTGH-VYGPSGIGVLYGRAQMLEKMRPFQGGGEMIEEVTEENVTYNHPPHRFEAGTPPIVQAIGLGAALEYMEKIGRHAILAHEADLRDYAHERLGRINSLRIFG--NAPDKGAIISFALEGIHAHDVSMVIDRAGVAVRAGTHCAQPLLKRFGVTSTCRASFALYNTRAEVDALAEALEKARKFFG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4W91.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -293466 for 3574 contacts (-82.1/contact) +
2D Compatibility (PS) -43077 + (NN) -7475 + (LL) 576
1D Compatibility (HY) -34800 + (ID) 9500
Total energy: -387742.0 ( -108.49 by residue)
QMean score : 0.544
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