Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGLLKKIFESGK-KDVKYLERKADEIIALADETAALSDDALREKTVEFKERV---QKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLG--------------------------------------------EGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAEDA-IQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEK----ETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
1NKT Chain:B ((28-861)) | MADILSKLLRLGEGRMVKRLKKVADYVGTLSDDVEKLTDAELRAKTDEFKRRLADQKNPETLDDLLPEAFAVAREAAWRVLDQRPFDVQVMGAAALHLGNVAEMKTGEGKTLTCVLPAYLNALAGNGVHIVTVNDYLAKRDSEWMGRVHRFLGLQVGVILATMTPDERRVAYNADITYGTNNEFGFDYLRDNMAHSLDDLVQRGHHYAIVDEVDSILIDEARTPLIISGPADGASNWYTEFARLAPLMEKDVHYEVDLRKRTVGVHEKGVEFVEDQLGIDNLYEAANSPLVSYLNNALKAKELFSRDKDYIVRDGEVLIVDEFTGRVLIGRRYNEGMHQAIEAKEHVEIKAENQTLATITLQNYFRLYDKLAGMTGTAQTEAAELHEIYKLGVVSIPTNMPMIREDQSDLIYKTEEAKYIAVVDDVAERYAKGQPVLIGTTSVERSEYLSRQFTKRRIPHNVLNAKYHEQEATIIAVAGRRGGVTVATNMAGRGTDIVLGGNVDFLTDQRLRERGLDPVETPEEYEAAWHSELPIVKEEASKEAKEVIEAGGLYVLGTERHESRRIDNQLRGRSGRQGDPGESRFYLSLGDELMRRFNGAALETLLTRLNLPDDVPIEAKMVTRAIKSAQTQVEQQNFEVRKNVLKYDEVMNQQRKVIYAERRRILEGEN-LKDQALDMVRDVITAYVDG-ATGEGYAEDWDLDALWTAL-KTLYPVG-ITADSLT------LLEALLKDAERAYAAREAELEEIAGEGAMRQLERNVLLNVIDRKWREHLYEMDYLKEGIGLRAMAQRDPLVEYQREGYDMFMAMLDGMKEESVGFLF------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NKT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237507 for 6371 contacts (-37.3/contact) +
2D Compatibility (PS) -82527 + (NN) -23496 + (LL) 2388
1D Compatibility (HY) -71200 + (ID) 19800
Total energy: -432142.0 ( -67.83 by residue)
QMean score : 0.497
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