Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLTLVYISLSGNTQSFVKRLSEQLSTWHNCQVSTINIKEQNH---QTFPVDQPFVALLPTYLEGGNGIDNGDQEILTIPLGDFIAAHNNVKNCIGIVGSGNRNFNNQYCLTAKQYSERFG---FPMLG-DFELRGTSSDVERIANIIVETLSNFKA
3HR4 Chain:A ((41-185))
-VRVTILFATETGKSEALAWDLGALFSC-AF----NPKVVCMDKYRLSCLEEERLLLVVTSTFGN---GDCPGNGEKLKKSLFMLK--ELNNKFRYAVFGLGSSMYP-RFCAFAHDIDQKLSHLGASQLTPMGEGDELSGQEDAFRSWAVQTFKAACE
General information:
TITO was launched using:
RESULT:
Template:
3HR4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60257 for 1133 contacts (-53.2/contact) +
2D Compatibility (PS) -14917 + (NN) -5217 + (LL) 488
1D Compatibility (HY) -3200 + (ID) 1050
Total energy: -84153.0 ( -74.27 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_3HR4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HR4-query.scw
PDB file :
Tito_Scwrl_3HR4.pdb
: