Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKPVTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTERKVGYLFQNLALFPNMNVYENIAFGLKVKKKKKKEQAEIQQQVRKMSDYLQISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
2AWO Chain:B ((21-214))
-------------DINLD-IHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT------PPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEV---INQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ---
General information:
TITO was launched using:
RESULT:
Template:
2AWO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112895 for 1500 contacts (-75.3/contact) +
2D Compatibility (PS) -21300 + (NN) -8481 + (LL) 2384
1D Compatibility (HY) -19600 + (ID) 3700
Total energy: -163592.0 ( -109.06 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_2AWO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AWO-query.scw
PDB file :
Tito_Scwrl_2AWO.pdb
: