Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIKACYQNAQALLEGHFLLSSGFHSNYYLQSAKVLEDPKLAEQLALELAKQIQEAHLNIECVCSPAIGGILAGYELARALGVRFIFTERV---DNTMTLRRGFEVKKNEKILVCEDIITTGKSAMECAKVLEEKGAQIVAFGALANRGICKRAHSHLKAQEGACLPS-HLPLFALEDFVFDMHKPSSCPLCATSVAIKPGSRGN
2WNS Chain:A ((4-180))
GPLVTGLYDVQAFKFGDFVLKSGLSSPIYIDLRGIVSRPRLLSQVADILFQTAQNAGISFDTVCGVPYTALPLATVICSTNQIPMLIRRKETKDYGTKRLVEGT-INPGETCLIIEDVVTSGSSVLETVEVLQKEGLKVTDAIVLLDREQG----------GKDKLQAHGIRLHSVCTLSKMLEILEQQKKVDAETVGRVKRFIQ
General information:
TITO was launched using:
RESULT:
Template:
2WNS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104626 for 1355 contacts (-77.2/contact) +
2D Compatibility (PS) -18685 + (NN) -5388 + (LL) 976
1D Compatibility (HY) -9600 + (ID) 1800
Total energy: -139123.0 ( -102.67 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_2WNS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WNS-query.scw
PDB file :
Tito_Scwrl_2WNS.pdb
: