Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFTAIAKAIFVLGILTTSVMITENQSVNAKGKYEKMNRLYDTNKLHQYYSGPSYELTNVSGQSQGYYDSNVLLFNQQNQKFQVFLLGKDENKYKEKTH-GLDVFAVPELVDLDGRIFSVSGVTKKNVKSIFESLRTPNLLVKKIDDKDGFSIDEF-FFIQKEEVSLKELDFKIRKLLIKKYKLYEGSADKGRIVINMKDENKYEIDLSDKLDFERMADVINSEQIKNIEVNLK
2RDH Chain:D ((10-196))
------------------------------------------TQDLSEYYNRPYFDLRNLSG----YREGNTVTFINHYQQTDVKLEGKDKDKIKDGNNENLDVFVVREGSGRQADNNSIGGITKTNRTQHIDTVQNVNLLVSKSTGQHTTSVTSTNYSIYKEEISLKELDFKLRKHLIDKHDLYKTEPKDSKIRVTMKNGDFYTFELNKKLQTHRMGDVIDGRNIEKIEVNL-
General information:
TITO was launched using:
RESULT:
Template:
2RDH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63835 for 1356 contacts (-47.1/contact) +
2D Compatibility (PS) -19682 + (NN) -1651 + (LL) 3912
1D Compatibility (HY) -11200 + (ID) 3700
Total energy: -96156.0 ( -70.91 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_2RDH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RDH-query.scw
PDB file :
Tito_Scwrl_2RDH.pdb
: