Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNNGRMLGVIGGSGFYTFFGSDTRTVN-SDTPYGQPSAPITIGTIGVHDVAFLPRHGAHHQYSAHAVPYRANMWALRALGVRRVFGPCAVGSLDPELEPGAVVVPDQLVDRTSGRADTYFD------FGGVHAAFADPYCPTLRAAVTGLPGVV-----DGGTMVVIQGPRFSTRAESQWFAAAGCNLVNMTGYPEAVLARELELCYAAIALVTDVDAGVAAGDGVKAADVFAAFGENIELLKRLVRAAIDRVADERTCTHCQHHAGVPLPFELP
1K27 Chain:A ((12-258))
-------IGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCW---EEAVSVDRVLKTLKENANKAKSLLLTTIPQI----------------------
General information:
TITO was launched using:
RESULT:
Template:
1K27.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161539 for 1993 contacts (-81.1/contact) +
2D Compatibility (PS) -25232 + (NN) -12634 + (LL) 1780
1D Compatibility (HY) -17600 + (ID) 4600
Total energy: -219825.0 ( -110.30 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_1K27.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K27-query.scw
PDB file :
Tito_Scwrl_1K27.pdb
: