Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLFFRYGSMNSGKTIEILKVAHNYEEQNKTVAIFTSGIDDRDQVGFISSRIGLKREATPIFSDTNIFEIVVNIKPKPNCVLLDESQFLEKEHVFQLAKIVDELNIPVIAYGLKNDFRNELFEGSKYLLLYADKLEEMKTICWFCAKKATMVLRVDDKGKPVYTGEQIMIGGNDHYYPVCRKCHANPPIK
2JA1 Chain:A ((17-193))
--------GSMFSGKSEELIRRVRRTQFAKQHAIVFKPCIDNRYSEEDVVSHNGLKVKAVPVSASKDIFE---HITEELDVIAIDEVQFFDGD-IVEVVQVLANRGYRVIVAGLDQDFRGLPFGQVPQLMAIAEHVTKLQAVCSVCGSPASRTQRLIDGEPAAFDDPIILVGASESYEPRCRHCHAVPA--
General information:
TITO was launched using:
RESULT:
Template:
2JA1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47943 for 1339 contacts (-35.8/contact) +
2D Compatibility (PS) -19390 + (NN) -11294 + (LL) 2004
1D Compatibility (HY) -9600 + (ID) 2500
Total energy: -88723.0 ( -66.26 by residue)
QMean score : 0.291
(partial model without unconserved sides chains):
PDB file :
Tito_2JA1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JA1-query.scw
PDB file :
Tito_Scwrl_2JA1.pdb
: