Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKISCLLLVISLFGGFLNASSLYEKLVNKETISVGTEGIYPPFTYHDKEGKLTGYDVEVARELAKELGVKIKFHETSWDIMLTGLKSGRFDMVANQVSLTTKKRQAAFDKSLPYSYSGTIMLVRKDENRIKDIRDIKGLKAANTLSSTYGEIAFKYDA--QIVSVDSMAQALLLVAQKRADLTLNSSLAILNYLNTHK--NSPFKIAWESKEKDGGASFVINKHQEKALELINQAMRRLINKGVLKRLGEQFFGKDVSQP
3VVE Chain:A ((29-257))
-----------------------FEEIKRSGEIRIGTEGAFPPFNYFDERNQLTGFEVDLGNAIAERLGLKPRWIAQSFDTLLIQLNQGRFDFVIASHGI-TEERARAVDFTNPHYCTGGVIVSRKGGPRTA--KDLQGKVVGVQVGTTYMEAAQKIPGIKEVRTYQRDPDALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVGELVFQER---VAMAVAKGNKSLLDALNRALAELMQDGTYARISQKWFGEDVRCK
General information:
TITO was launched using:
RESULT:
Template:
3VVE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96617 for 1877 contacts (-51.5/contact) +
2D Compatibility (PS) -24808 + (NN) -13175 + (LL) 1680
1D Compatibility (HY) -10800 + (ID) 3100
Total energy: -146820.0 ( -78.22 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_3VVE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VVE-query.scw
PDB file :
Tito_Scwrl_3VVE.pdb
: