Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLYKKRRFFMSKNNNTTCLIETAIFAALAMALSMIP-DFASWFTPSFGAIPLILFALRRGTKYGLFAGLIWGLLHFVLSKVYYLSLSQVFIEYILAFISMGLAGVFSAKFKDALSSSSKTKALSLALSGAILATFVRYVWHYIAGVIFWASYAPKGMSATLYSLSVNGTAGLLTLFFVVISIIILVISYPSFFLPKK
4TKR Chain:B ((28-213))
---------VMQNKRLIILLECAIFAAVAMVLSFIPLDIGSSFSISLGMIPMYVIAIRRGFWAAGFAGLLWGLLHFLTGKAYILMPSQAIIEYILAFSFIAFSGVFSKQVRSNLAANQLKKAIEWAWGTMIIGGVARYFWHYVAGVLFWGAYAFQGWGAQLFSIVMNGASCLGTVLVSGIIISILLKTSPKLFLP--
General information:
TITO was launched using:
RESULT:
Template:
4TKR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -193714 for 1499 contacts (-129.2/contact) +
2D Compatibility (PS) -19083 + (NN) -3668 + (LL) 1196
1D Compatibility (HY) -24400 + (ID) 4200
Total energy: -243869.0 ( -162.69 by residue)
QMean score : 0.395
(partial model without unconserved sides chains):
PDB file :
Tito_4TKR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TKR-query.scw
PDB file :
Tito_Scwrl_4TKR.pdb
: