Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKGSMTAHATPNEPDYPPPPGGPPPPADIGRLLLRCHDRPGIIAAVSTFLARAGANIISLDQHSTAPEGGTFLQRAIFHLPGLTAAVDELQRDFGSTVADKFGIDYRFAEAAKPKRVAIMASTEDHCLLDLLWRNRRGELEMSVVMVIANHP--DLAAHVRPFGVPFIHIPATR-DTRTEAEQRQLQLLS-GNVDLVVLARYMQILSPGFLEAIGCPLINIHHSFLPAFTGAAPYQRARERGVKLIGATAHYVTEVLDEGPIIEQDVVRVDHTHTVDDLVRVGADVERAVLSRAVLWHCQDRVIVHHNQTIVF
2YWR Chain:A ((1-199))
------------------------------------------------------------------------------------------------------------------MLKIGVLVSGRGSNLQAIIDAIESGKVNASIELVISDNPKAYAIERCKKHNVECKVIQRKEFPSKKEFEERMALELKKKGVELVVLAGFMRILSHNFLKYFPNKVINIHPSLIPAFQGLHAQKQAVEFGVKFSGCTVHIVDESVDAGPVIVQAVVPVLPEDDENTLADRILKWEHKILPQTVQWFAQDRIIIDGRKVIV-
General information:
TITO was launched using:
RESULT:
Template:
2YWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164848 for 1586 contacts (-103.9/contact) +
2D Compatibility (PS) -21299 + (NN) -11992 + (LL) 4888
1D Compatibility (HY) -14400 + (ID) 3150
Total energy: -210801.0 ( -132.91 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_2YWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YWR-query.scw
PDB file :
Tito_Scwrl_2YWR.pdb
: