Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYKLEVQDLHKRYGSHEVLKGVSLAAKAGDVISIIGSSGSGKSTFLRCINLLEQPHAGKILLNGEELKLVPGRDGALKAADSRQLQRMRSRLSMVFQHFNLWSHMSALENVIEAPVHVLGVSKKEAIEKAEHYLAKVGVAHRKDAYPAHMSGGEQQRVAIARALAVEPEVMLFDEPTSALDPELVGEVLKVMQDLAQEGRTMVVVTHEMGFAREVSNQLVFLHKGLVEEHGCPKEVLANPQSDRLKQFLSGSLK
4U00 Chain:A ((5-242))
---IRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG------------LSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVLH
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132589 for 1982 contacts (-66.9/contact) +
2D Compatibility (PS) -26166 + (NN) -11990 + (LL) 864
1D Compatibility (HY) -25600 + (ID) 6250
Total energy: -201731.0 ( -101.78 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: