Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
GFDPEKAQCCLVENGQILTHGSGGKGYGLASTGVTSGCYQWKFYIVKENRGNEGTC-VGVSRWPVHDFNHR----TTSDMWLYRAYSGNLYHN--GEQTLTLSSFTQGD------FITCVLDMEARTISFGKNGEEPKLAFEDVDAAELYPCVMFYSSNPGEKVKICDMQMR
3EMW Chain:A ((81-201))
--------------------------------GYSRGLHAWEISWPLEQRGTHAVVGVATALAPLQTDHYAALLGSNSESWGWDIGRGKLYHQSKGPGAPQYPAGTQGEQLEVPERLLVVLDMEEGTLGYAIGGTYLGPAFRGLKGRTLYPAV-------------------
General information:
TITO was launched using:
RESULT:
Template:
3EMW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67473 for 662 contacts (-101.9/contact) +
2D Compatibility (PS) -11824 + (NN) -5535 + (LL) 1944
1D Compatibility (HY) -4400 + (ID) 1550
Total energy: -88838.0 ( -134.20 by residue)
QMean score : 0.327
(partial model without unconserved sides chains):
PDB file :
Tito_3EMW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EMW-query.scw
PDB file :
Tito_Scwrl_3EMW.pdb
: