Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQYLDLMRHVREHGTFKSDRTGTGTYSVFGHQMRFDLAAGFPLVTTKKCHLKSIVHELLWFLKGSTNIAYLKEHGVSIWDEWADE-----------------------------NGDLGPVYGYQWRSWPAPDGRHIDQIANLMAMLKKNPDSRRLIVSAWNPALIDEMALPPCHALFQFYVADGKLSCQLYQRSADIFLGVPFNIASYALLTLMVAQVAGLQPGEFIWTGGDCHLYANHLEQADLQLTREPLPLPSMKLNPEVKDLFDFRFEDFELVGYEAHPHIKAPVAV
3UWL Chain:A ((2-313))
EEAYLALGKKILEEGHFKEDRTGTGTYSLFGYQMRFDLAKGFPLLTTKRVPFGLIKSELLWFLKGDTNIRYLLERNNHIWDEWAFERYVKSADYQGEEHQKFCDAILNDAEFAEKYGELGNIYGAQWRHWETKDGSFIDQLANVIEMIKTNPDSRRLIVSAWNPEDVPSMALPPCHTMFQFYVNEGKLSCQLYQRSADVFLGVPFNIASYALLTHLIAHETGLEVGEFVHTLGDAHLYQNHVEQMQEQLSREVRSFPTLVLNPDKASVFDFDMEDIKVEGYDPHPTIKAPI--
General information:
TITO was launched using:
RESULT:
Template:
3UWL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -220459 for 2028 contacts (-108.7/contact) +
2D Compatibility (PS) -28365 + (NN) -12555 + (LL) 336
1D Compatibility (HY) -28800 + (ID) 8150
Total energy: -297993.0 ( -146.94 by residue)
QMean score : 0.606
(partial model without unconserved sides chains):
PDB file :
Tito_3UWL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UWL-query.scw
PDB file :
Tito_Scwrl_3UWL.pdb
: