Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDMVKNEWKKLFKNKILLLSFVVILFIPLLYASFFLKSVWDPYGKTGDLPVAVVNNDKPVDYNGQTMDVGDQLVTKLKSNKELDWNFLSKEEAEQGLKDGKYYMIVTIPKDFSKNAASVLDKDPKKMELSYKTNGSLNYLGQVVSEQGAKQLKSEVSAEVTKSYAEAIFDKIKESGDGFAQAAD---GSGKIKDGLVKSQEGNKTISTNLKTLADSSLTFKDGANTLEVGLKTYTDGVNTAAAGGDKLNAGVSTLAAGV---GPLKDGVAALDGGATKLASGVSTYTSGVDTLAGGINQAYTGSTALSDGLNKMNGSVPTLASGITQLNNGQKSLATGLDSLVD--GSNKLSAGLKELDGNLTDKQGK--IAQLKQGMNDLQQGIDQLNQSVNGEDAALAKQLA------TLQKSL--SDLQNGLTFIKSNANFDAEAIKSKINATAGVSAEDKQKIIDAIQADLDKETQKSATQV------ATVEQLQSGLSGLDLAAIQTQVTE--LQTGVAKISAGYQAVHGGTN-EAFNSIHQAINGSGSQTLLGGANQLTAGLKSAQAGSAKLVAGTNQLNSQVPTLTSGVGQLAAGSASMENGLSKLNDGGNKLASNSGALRSGATELQGGTN-----QLAAKVPTLAGGVNQLQAG------SNQLAGGLNQL-SANSPKLV-------SGVGQLADGSSKIADGSSKLANGSFQLGDGLTKLTDGSTELTDKLADGAQQVKDTKAT--DKTFN-MIAAPTKLAHNEYTHVSNYGHALAPYVLSLALYVGALVFNFIMPIRRVSMEGQPAYKWWLSKLSLGFVAAVAMALLEGGIMIALGLRPDSIVEFFGTAIITALAYMFLIMLLAMTFDNPGRFIAMVLLIVQLAGSGGTFPMPLTGWFFNLIHPFLPMTYSIYAFRESLAAGMGPNVYSMSMLILTIIMVACVGLLYLSMSHLKKRHDAHESALDDNQKLMALEN |
2WAD Chain:A ((74-672)) | -----------------------------------------------------------------------------------------------------------------------------------------NTLKQVVSFTRSNKMTATDLKEIAKKLLTYV--SISSPNLTERQLADYYLADPEIYKKTVEALP-------------ESEL-YNNAVDSVPTSQLNYTEDEKKEIYLFSQLNA-VGNFATGTIATDPLNDSQVAVIASISKEMPGISISTSWDRKI-------------LETSLSSIVGSVSSEKAGLPA-EEAESYLKKGY-SLNDRVGTSYLEKQYEEV------LQGKRPVKEIHLDKHGDMESVENIEEGSKGKNIKLTIDLAFQDSVDALLKSYFNSELGNGGA--KYSEGVYAVALNPQTGAVLSMSGLKH----DLKTGELTPDSLGTVTNVFVPGSVVKAATISSGWENGVLSGNQTLTDQPIVFQGSAPIYSWYKLAYGSFPITAVEALEYSSNAYVVQTALG---------IMGQTYQPNMFVGTSNLESAMGKLRSTFGEYGLGSAT---GID-LPDESTGLVPKEYNFANFITNAFGQFDNYTPMQLAQYVATIANNGVRLAPHIVEGIYDNNDKGGLGELIQAIDTKEINKVNISESDMAILHQGFYQVSHGTSPLTTGR-AFSDGATVSISGKTGT------------NTNAVAYAPTENPQIAVAVVFPHNT-NLTKNVGPAIARDIINL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WAD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 151779 for 3955 contacts (38.4/contact) +
2D Compatibility (PS) -52556 + (NN) 14072 + (LL) 28936
1D Compatibility (HY) -18400 + (ID) 7100
Total energy: 116731.0 ( 29.51 by residue)
QMean score : 0.049
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