Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSKEHDFHLVDSSPWPIAMSAAIFILVLGLVGTLHKQVS------GIFGLVLGTSAVSGVLFYWWKDVVKEAIYDKCHTAIVKHGLKFAMYLFILSEVVFFIVFFCSFFKAWLDPVFLFETFSPTKKVKWPPEGILLPDPWSLPFMNTLILLLSGTTITWAHHSLFK-DDKKSMIKMLYITILLGVFFVIVQAIEYHETSFSLQEAGIYASNFYMITGFHCAHVIIGIIFLSVCLFRARKDQFTPQDHLCFEFASWYWHFVDIVWIFLFVFVYWLSVF
1QLE Chain:C ((2-273))
-HVKNHDYQILPPSIWPFFGAIGAFVMLTGAVAWMKGITFFGLPVEGPWMFLIGLVGVLYVMFGWWADVVNEGE-TGEHTPVVRIGLQYGFILFIMSEVMFFVAWFWAFIKNALYPMGP---DSPIKDGVWPPEGIVTFDPWHLPLINTLILLLSGVAVTWAHHAFVLEGDRKTTINGLIVAVILGVCFTGLQAYEYSHAAFGLA-DTVYAGAFYMATGFHGAHVIIGTIFLFVCLIRLLKGQMTQKQHVGFEAAAWYWHFVDVVWLFLFVVIYIWGR-
General information:
TITO was launched using:
RESULT:
Template:
1QLE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -242251 for 1855 contacts (-130.6/contact) +
2D Compatibility (PS) -27061 + (NN) -13792 + (LL) 824
1D Compatibility (HY) -34800 + (ID) 6150
Total energy: -323230.0 ( -174.25 by residue)
QMean score : 0.277
(partial model without unconserved sides chains):
PDB file :
Tito_1QLE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1QLE-query.scw
PDB file :
Tito_Scwrl_1QLE.pdb
: