Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKPVTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTERKVGYLFQNLALFPNMNVYENIAFGLKVKKKKKKEQAEIQQQVRKMSDYLQISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
2AWN Chain:B ((21-214))
-------------DINLD-IHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT------PPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEV---INQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ---
General information:
TITO was launched using:
RESULT:
Template:
2AWN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128379 for 1497 contacts (-85.8/contact) +
2D Compatibility (PS) -21155 + (NN) -9192 + (LL) 2384
1D Compatibility (HY) -19600 + (ID) 3700
Total energy: -179642.0 ( -120.00 by residue)
QMean score : 0.518
(partial model without unconserved sides chains):
PDB file :
Tito_2AWN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AWN-query.scw
PDB file :
Tito_Scwrl_2AWN.pdb
: