Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQRSLLFALLATLLLVGGARAETDPDYSMVLLTE-NFPPYNMAINGKNFAQEDNIDGIAVDIVREMFKRAGIKYSLTLRFPWDRIYKLALEKPGYGVF-VTARLAEREDKFKWVGPIGPDDWVLLAKGDSPITLGSLDEAKKYRIGAYKGDAIAEFLGKNGFE-ADLAL-RDQENAQKLVKGQIDLWASGDPAGRYLAKQEGVTGLKTV-LRFNSDQLYLALNRETPDEVVQKLQAALDGMRKEGFVEDILNSYL
1WDN Chain:A ((4-221))
---------------------------KLVVATDTAFVPFEFKQ-------GDLYVGFDVDLWAAIAKELKLDYELKP-MDFSGIIPALQTKNVDLALAGITITDERKKAIDFSDGYYKSGLLVMVKANNN-DVKSVKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELGTNRADAVLHDTPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGS-DELRDKVNGALKTLRENGTYNEIYKKWF
General information:
TITO was launched using:
RESULT:
Template:
1WDN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91364 for 1743 contacts (-52.4/contact) +
2D Compatibility (PS) -23300 + (NN) -13821 + (LL) 2588
1D Compatibility (HY) -10400 + (ID) 1850
Total energy: -138147.0 ( -79.26 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_1WDN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WDN-query.scw
PDB file :
Tito_Scwrl_1WDN.pdb
: