Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRDLAPALQALSPLLGSWAGRGAGKYPTIRPFEYLEEVVFAHVGKPFLTYTQQTRAVADGKPLHSETGYLRVCRPGCVELVLAHPSGITEIEVGTYSVTGDVIELELSTR--ADGSIGLAPTAKEVTALDRSYRIDGDELSYSLQMRAVGQPLQDHLAAVLHRQR
2FR2 Chain:A ((4-164))
---DLAPALQALSPLLGSWAGRGAGKYPTIRPFEYLEEVVFAHVGKPFLTYTQQTRAVADGKPLHSETGYLRVCRPGCVELVLAHPSGITEIEVGTYSVTGDVIELE--LSTRADGSIGLAPTAKEVTALDRSYRIDGDELSYSLQMRAVGQPLQDHLAAVLHRQR
General information:
TITO was launched using:
RESULT:
Template:
2FR2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63940 for 1164 contacts (-54.9/contact) +
2D Compatibility (PS) -17096 + (NN) -9672 + (LL) 508
1D Compatibility (HY) -20800 + (ID) 7850
Total energy: -118850.0 ( -102.10 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_2FR2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FR2-query.scw
PDB file :
Tito_Scwrl_2FR2.pdb
: