Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKLTLNVEGMTCSHCEARVTKALSEVNGVKSAVVSLDEGTATVEFEKGQVMEDALIDAVEEAGYEVA
2ROE Chain:A ((2-61))
---LKLKVEGMTCNHCVMAVTKALKKVPGVEKVEVSLEKGEALVE---GTADPKALVQAVEEEGYK--
General information:
TITO was launched using:
RESULT:
Template:
2ROE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42060 for 417 contacts (-100.9/contact) +
2D Compatibility (PS) -6615 + (NN) -1065 + (LL) 1012
1D Compatibility (HY) -5600 + (ID) 1700
Total energy: -56028.0 ( -134.36 by residue)
QMean score : 0.702
(partial model without unconserved sides chains):
PDB file :
Tito_2ROE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ROE-query.scw
PDB file :
Tito_Scwrl_2ROE.pdb
: