Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEKLLSAIKQKVSNYFLGVLPKSYSMSEENNILGLYDEHFLLTKNENLVGILRLEGVSYTHLSTEQLQDLFTERQMALDSLEKVVARLVVKRRKIDYKQSIQSDSQYLQAILNQFENKEVYENQYFLVLESTHSLHGVLEHKKKSFMHANRENFKDILSYKAHFLQETLKSLEIQLKNYAPKLLNSKEVLNFYAEYINGFELPLKPLVGGYLSDSYIASSITFEKDYFIQESFNQKTYNRLIGIKAYESERITSIAVGALLYQETPLDIIFSIEPMSVNKTLSFLKERAKFSMSNLVKNELLEYQELVKTKRLSMQKFALNVLIKAPSLEDLDAQTSLILGLLFKENLVGVIETFGLKGGYFSFFPERIHLNHRLRFLTSKALACLMVFERQNLGFKANSWGNSPLSVFKNLDYSPFLFNFHNQEVSHNNAKEIARVNGHTLVIGATGSGKSTLISYLMMSALKYQNMRLLAFDRMQGLYSFTEFFKGHYHDGQSFSINPFCLEPNLQNLEFLQSFFLSMLDLAPSRDKEALEDMNAISGAIKSLYETLYPKDFSLLDFKETLKRTSSNQLGLSLEPYLNNPLFNALNDAFNSNAFLNVINLDAITQNPKDLGLLAYYLFYKILEESRKNDSGFLVFLDEFKSYVEND--LLNTKINALITQARKANGVVVLALQDIYQLSGVKNAHSFLSNMGTLILYPQKNARELKHNFNVPLSETEISFLENTPLYARQVLVKNLGNGSSNMIDVSLEGLGCYLKIFNSDSSHVNKVKALQKDYPTEWREKLLKS |
2DR3 Chain:A ((128-198)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NAKRVVVDSVTTLYINKPAMARSIILQLKRVLAGTGCTSIFVSQVS----G-FG-PGVEHGVDGIIRLDLDEIDGELKRSLIVWKMRGTSHSMRRHPFDITDKGIIVYPDKVLKR------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2DR3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -29516 for 366 contacts (-80.6/contact) +
2D Compatibility (PS) -7149 + (NN) -2883 + (LL) 49600
1D Compatibility (HY) -2400 + (ID) 400
Total energy: 7252.0 ( 19.81 by residue)
QMean score : 0.336
|
|
|