Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRPRTDAIHHHVVVNAPIERAFAVFTTR--FGDFKPREHNLLAIPITETVFECHAGGHIYDRGV--DGS-VCKWARVLVYEPPSRVLFTWDIGPTWRPETDLAKTSEVEVRFTAQSAETTRVDLEHRHLDRHGPGWESVADGVDSEAGWPLYLRRYTDLLCIQVQP
2LDK Chain:A ((9-162))
---VEALSFSIVAEFDADVKRVWAIWEDPRQLERWWGP-PTW---PATFETHEFTVGGKAAYYMTGPDGTKARGWWQFTTIEAPDHLEFDDGFADEHGAPVDELGVTHATVKLEPLE-NRTRMTIIST-FESEEQMQKMAEMGM--EEGMREAIEQIDAVLSEPA--
General information:
TITO was launched using:
RESULT:
Template:
2LDK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52194 for 1059 contacts (-49.3/contact) +
2D Compatibility (PS) -15854 + (NN) -1501 + (LL) 1052
1D Compatibility (HY) -1200 + (ID) 1100
Total energy: -70797.0 ( -66.85 by residue)
QMean score : 0.231
(partial model without unconserved sides chains):
PDB file :
Tito_2LDK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2LDK-query.scw
PDB file :
Tito_Scwrl_2LDK.pdb
: