Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMLDKENPIIKEFEEAGAILHGHFVLSSGLHSDTYTQCAKIFENPSRAMKVCELLANKIKKELNSSIDLILSPAIGGIIVGYEIGRQLRMKTMFCER--V-NGKFELRRGFEIKRGEKILLVEDVITTGKSSLEAVKCAEDMGGKVVAEASLIKRNSE----TK-LPFSIISLLELS-IKNYSEAELPEELKKLPIIKPGSREYLSNCSK
2WNS Chain:A ((2-190))
----ALGPLVTGLYDVQAFKFGDFVLKSGLSSPIYIDLRGIVSRPRLLSQVADILFQTAQNA-GISFDTVCGVPYTALPLATVICSTNQIPMLIRRKETKDYGTKRLVEGT-INPGETCLIIEDVVTSGSSVLETVEVLQKEGLKVTDAIVLLDREQGGKDKLQAHGIRLHSVCTLSKMLEILEQQKKVDAETVGRVKRFIQE-------
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) -76477 for 1378 contacts (-55.5/contact) +
2D Compatibility (PS) -18927 + (NN) -130 + (LL) 1028
1D Compatibility (HY) -11600 + (ID) 2150
Total energy: -108256.0 ( -78.56 by residue)
QMean score : 0.413
(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
: