Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQRSLLFALLATLLLVGGARAETDPDYSMVLLTE-NFPPYNMAINGKNFAQEDNIDGIAVDIVREMFKRAGIKYSLTLRFPWDRIYKLALEKPGYGVFV-TARLAEREDKFKWVGPIGPDDWVLLAKGDSPITLGSLDEAKKYRIGAYKGDAIAEFLGKNG-FEADLAL-RDQENAQKLVKGQIDLWASGDPAGRYLAKQEGVTG-LKTVLRFNSDQLYLALNRETPDEVVQKLQAALDGMRKEGFVEDILNSYL
3VV5 Chain:A ((30-253))
--------------------EEIKRSGEIRIGTEGAFPPFNYFD------ERNQLTGFEVDLGNAIAERLGLKPRWIA-QSFDTLLIQLNQGRFDFVIASHGITEERARAVDFTNPHYCTGGVIVSRKGG---PRTAKDLQGKVVGVQVGTTYMEAAQKIPGIKEVRTYQRDPDALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVGELVFQERVAMAVAKG-NKSLLDALNRALAELMQDGTYARISQKWF
General information:
TITO was launched using:
RESULT:
Template:
3VV5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112919 for 1812 contacts (-62.3/contact) +
2D Compatibility (PS) -24075 + (NN) -14883 + (LL) 2472
1D Compatibility (HY) -5200 + (ID) 1950
Total energy: -156555.0 ( -86.40 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_3VV5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VV5-query.scw
PDB file :
Tito_Scwrl_3VV5.pdb
: