Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIKACYQNAQALLEGHFLLSSGFHSNYYLQSAKVLEDPKLAEQLALELAKQIQEAHLNIECVCSPAIGGILAGYELARALGVRFIFTERVDNTMTLRRGFE--VKKNEKILVCEDIITTGKSAMECAKVLEEKGAQIVAFGALANRGICKRAHSHLKAQEGACLPSHLPLFALEDFVFDMHKPSSCPLCATSVAIKPGSRGN
2WNS Chain:A ((12-150))
--------DVQAFKFGDFVLKSGLSSPIYIDLRGIVSRPRLLSQVADILFQTAQNAGISFDTVCGVPYTALPLATVICSTNQIPMLIRRKETKDYGTKRLVEGTINPGETCLIIEDVVTSGSSVLETVEVLQKEGLKVTDAIVLLDREQGGKDKLQAHGIRLHSVCTLSKMLEILEQQKKVDAETVGRVKRFIQE--------
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) -77768 for 970 contacts (-80.2/contact) +
2D Compatibility (PS) -15015 + (NN) -4982 + (LL) 1224
1D Compatibility (HY) -10400 + (ID) 1650
Total energy: -108591.0 ( -111.95 by residue)
QMean score : 0.590
(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
: