Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYL----CVYKDFILLKPQTYMNLSGESVLSAKNFYK--TKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALCSNSYYRLRVGI---SKGINITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
3WH4 Chain:A ((7-195))
ISLIVGLGNPGSEYAQTRHNAGFWFVEQLADKYGITLKNDPKFHGISGRGNIEGHDVRLLLPMTYMNRSGQSVVPFSKFYQIAPEAILIAHDELDMNPGVIRLKTGGGHGGHNGLRDIVPHIGPNFHRLRIGIGHPGSKERVSGHVLGKAPSNEQSLMDGAIDHALSKVKLLVQGQVPQAM-NQINAYKPA----
General information:
TITO was launched using:
RESULT:
Template:
3WH4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90410 for 1486 contacts (-60.8/contact) +
2D Compatibility (PS) -18682 + (NN) -334 + (LL) 724
1D Compatibility (HY) -12800 + (ID) 3550
Total energy: -125052.0 ( -84.15 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_3WH4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WH4-query.scw
PDB file :
Tito_Scwrl_3WH4.pdb
: