Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLYYKYGTMNSGKTIEILKVAHNYEEQGKPVVIMTSALDTRDEFGVVSSRIGMRREAVPISDDMDIFSYIQNLPQKPYCVLIDECQFLSKKNVYDLARVVDDLDVPVMAFGLKNDFQNNLFEGSKHLLLLADKIDEIKTICQYCSKKATMVLRTENGKP-VYEGDQIQIGGNETYIPVCRKHYFNPDI
2JA1 Chain:A ((17-192))
--------GSMFSGKSEELIRRVRRTQFAKQHAIVFKPCIDNRYSEEDVVSHNGLKVKAVPVSASKDIFEHIT---EELDVIAIDEVQFFDG-DIVEVVQVLANRGYRVIVAGLDQDFRGLPFGQVPQLMAIAEHVTKLQAVCSVCGSPASRTQRLIDGEPAAFDDPIILVGASESYEPRCRHCHAVPA-
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) -68916 for 1315 contacts (-52.4/contact) +
2D Compatibility (PS) -19295 + (NN) -10433 + (LL) 932
1D Compatibility (HY) -8800 + (ID) 2350
Total energy: -108862.0 ( -82.78 by residue)
QMean score : 0.441
(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
: