Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLLIMGLPGAGKGTQAAKIVEEFGVAHISTGDMFRAAMANQTEMGRLAKSYIDKGELVPDEVTNGIVKERLAEDDIAEKGFLLDGYPRTIEQAHALDATLEELGLRLDGVINIKVDPSCLIERLSGRIINRKTGETFHKVFNPPV-----DYKEEDYYQREDDKPETVKRRLDVNIAQGEPILEHYRKLGLVTDIEG---NQEITEVFADVEKALLELK
2AK3 Chain:A ((11-215))
----IMGAPGSGKGTVSSRITKHFELKHLSSGDLLRDNMLRGTEIGVLAKTFIDQGKLIPDDVMTRLVLHEL--KNLTQYNWLLDGFPRTLPQAEALDRAYQ-----IDTVINLNVPFEVIKQRLTARWIHPGSGRVYNIEFNPPKTMGIDDLTGEPLVQREDDRPETVVKRLKAYEAQTEPVLEYYRKKGVLETFSGTETNKIWPHVYAFLQTKLPQRS
General information:
TITO was launched using:
RESULT:
Template:
2AK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54438 for 1366 contacts (-39.9/contact) +
2D Compatibility (PS) -21213 + (NN) -7568 + (LL) 1112
1D Compatibility (HY) -18800 + (ID) 4300
Total energy: -105207.0 ( -77.02 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_2AK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AK3-query.scw
PDB file :
Tito_Scwrl_2AK3.pdb
: