Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGLLKKIFES-GKKDVKYLERKADEIIALADETAALSDDALREKTVEFKERVQ---KGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKL---GEG-----------------------------------------TIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMA-EDAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITL-EDLQNRTSEDIQNLILDKIKAAYDEKETL----LPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
1NKT Chain:A ((31-865)) | ---ILSKLLRLGEGRMVKRLKKVADYVGTLSDDVEKLTDAELRAKTDEFKRRLADQKNPETLDDLLPEAFAVAREAAWRVLDQRPFDVQVMGAAALHLGNVAEMKTGEGKTLTCVLPAYLNALAGNGVHIVTVNDYLAKRDSEWMGRVHRFLGLQVGVILATMTPDERRVAYNADITYGTNNEFGFDYLRDNMAHSLDDLVQRGHHYAIVDEVDSILIDEARTPLIISGPADGASNWYTEFARLAPLMEKDVHYEVDLRKRTVGVHEKGVEFVEDQLGIDNLYEAANSPLVSYLNNALKAKELFSRDKDYIVRDGEVLIVDEFTGRVLIGRRYNEGMHQAIEAKEHVEIKAENQTLATITLQNYFRLYDKLAGMTGTAQTEAAELHEIYKLGVVSIPTNMPMIREDQSDLIYKTEEAKYIAVVDDVAERYAKGQPVLIGTTSVERSEYLSRQFTKRRIPHNVLNAKYHEQEATIIAVAGRRGGVTVATNMAGRGTDIVLGGNVDFLTDQRLRERGLDPVETPEEYEAAWHSELPIVKEEASKEAKEVIEAGGLYVLGTERHESRRIDNQLRGRSGRQGDPGESRFYLSLGDELMRRFNGAALETLLTRLNLPDDVPIEAKMVTRAIKSAQTQVEQQNFEVRKNVLKYDEVMNQQRKVIYAERRRILEGENLKDQALDM-VRDVITAYVDGATGE-GYAEDWDLDALWTALKTLYPVGITADSLT---------LLEALLKDAERAYAAREAELEEIAGEGAMRQLERNVLLNVIDRKWREHLYEMDYLKEGIGLRAMAQRDPLVEYQREGYDMFMAMLDGMKEESVGFLFNVTV--------------------------------------------------------- |
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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) -213285 for 6404 contacts (-33.3/contact) +
2D Compatibility (PS) -82359 + (NN) -23133 + (LL) 2656
1D Compatibility (HY) -68000 + (ID) 19150
Total energy: -403271.0 ( -62.97 by residue)
QMean score : 0.487
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