Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNETASHGINFDALGRDRQSLDLASESVELEVPGLNLFYGAKQALFDVRMNIPKQRVTAFIGPSGCGKSTLLRCFNRMNDLVDGCRVEGEIRLDGHNIFAKGVDVAELRRRVGMVFQKPNPFPK-SIYENVVYG-LRIQGINKKRVLDEAVEWALKGAALWEEVKDRLHESALGLSGGQQQRLVIARTIAVEPEVLLLDEPCSALDPISTLKIEELIYEL-KSKFTIVIVTHNMQQAARVSDYTAFMYMGKLIEFGDTDTLFTNPAKKQTEDYITGRYG
4U00 Chain:A ((5-238))
------------------------------IRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQ-----EGEVVVDGLSV-KDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGIL-----DQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFL-----
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) -147118 for 1901 contacts (-77.4/contact) +
2D Compatibility (PS) -25425 + (NN) -12898 + (LL) 2452
1D Compatibility (HY) -17200 + (ID) 4200
Total energy: -204389.0 ( -107.52 by residue)
QMean score : 0.517
(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
: