Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRLGKMSDLDQILNLVEEAKELMKEHDNEQWDDQYPLLEHFEEDIAKD-YLYVLEENDKIYGFIVVDQDQAEWYDDIDWPVNREGAFVIHRLTGSKEY--KGAATELFNYVIDVVKARG-AEVILTDTFALNKPAQGLFAKFGFHKVGEQLMEYPPYDKGEPFYAYYKNLKE
3KKW Chain:A ((26-181))
SHRPAETGDLETVAGFPQDRDELFYCYPKAIWP---FSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQH------------GDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPD-GRRVALIQMDKPLE-
General information:
TITO was launched using:
RESULT:
Template:
3KKW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62500 for 1163 contacts (-53.7/contact) +
2D Compatibility (PS) -16414 + (NN) -6070 + (LL) 888
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -88896.0 ( -76.44 by residue)
QMean score : 0.447
(partial model without unconserved sides chains):
PDB file :
Tito_3KKW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKW-query.scw
PDB file :
Tito_Scwrl_3KKW.pdb
: