Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKPVTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTERKVGYLFQNLALFPNMNVYENIAFGLKVKKKKKKEQAEIQQQVRKMSDYLQISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
3PUY Chain:A ((21-214))
-------------DINLD-IHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT------PPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEV---INQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ---
General information:
TITO was launched using:
RESULT:
Template:
3PUY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116763 for 1455 contacts (-80.2/contact) +
2D Compatibility (PS) -21000 + (NN) -8666 + (LL) 2384
1D Compatibility (HY) -19600 + (ID) 3700
Total energy: -167345.0 ( -115.01 by residue)
QMean score : 0.570
(partial model without unconserved sides chains):
PDB file :
Tito_3PUY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUY-query.scw
PDB file :
Tito_Scwrl_3PUY.pdb
: