Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTETLLSIKDLSITFTQYGRFLKPFQSTPIQALNLEIKKGELLAIIGASGSGKSLLAHAIMDILPKNASVTGDMIYRGQSLNSKR-IKQLRGKDITLIPQSVNYLDPSMKV-------KHQVRLGISENSKATQEGLFQQFGLKESDGDLYPFQLSGGMLRRVLFTTCISDKVSLIIADEPTPGLHPDALQMVLDQLRSFADKGISVIFITHDIVAASQIADRITIFKEGKAIETA-PASFFSGNGEQLQTEFARSLLRSLPQQEFLKGVTHDLRG
4U00 Chain:A ((20-242))
-----------------------------LKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRL---EDFQEGEVVVDGLSVKDDRALREIR-REVGMVFQQFN-LFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQ-ARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVLH-----------------
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) -123290 for 1662 contacts (-74.2/contact) +
2D Compatibility (PS) -23565 + (NN) -13920 + (LL) 3112
1D Compatibility (HY) -16800 + (ID) 3300
Total energy: -177763.0 ( -106.96 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
: