Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIEFKNVSKVYPNGHVGLKNINLNIEKGEFAVIVGLSGAGKSTLLRSVNRLHDITSGEIFIQGKSITKAHGKALL-EMRRNIGMIFQHFNLVKRSSVLRNVLSGRVGYHPTWKMVLGLFPKEDKIKAMDALERVNILDKYNQRSDELSGGQQQRISIARALCQESEIILADEPVASLDPLTTKQVMDDLRKINQELGITILINLHFVDLAKEYGTRIIGLRDGEVVYDGPASEATDDVFSEIYGRTIKEDEKLGVN
4YMV Chain:A ((17-222))
-------------------LKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKIN--NGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNK-------KEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEE-----------------------
General information:
TITO was launched using:
RESULT:
Template:
4YMV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119576 for 1616 contacts (-74.0/contact) +
2D Compatibility (PS) -22325 + (NN) -10783 + (LL) 3164
1D Compatibility (HY) -17600 + (ID) 4350
Total energy: -171470.0 ( -106.11 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_4YMV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMV-query.scw
PDB file :
Tito_Scwrl_4YMV.pdb
: