Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKPVTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTERKVGYLFQNLALFPNMNVYENIAFGLKVKKKKKKEQAEIQQQVRKMSDYLQISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
3PUW Chain:A ((21-214))
-------------DINLD-IHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT------PPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEV---INQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ---
General information:
TITO was launched using:
RESULT:
Template:
3PUW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119343 for 1467 contacts (-81.4/contact) +
2D Compatibility (PS) -21051 + (NN) -8991 + (LL) 2384
1D Compatibility (HY) -19600 + (ID) 3700
Total energy: -170301.0 ( -116.09 by residue)
QMean score : 0.562
(partial model without unconserved sides chains):
PDB file :
Tito_3PUW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUW-query.scw
PDB file :
Tito_Scwrl_3PUW.pdb
: