Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLNGRSEISEDLIAEFADYGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLA--EQEYLTGQVIAIDGGMTMQ
4NBU Chain:B ((10-250))
-RLQDKVAIITGAANGIGLEAARVFMKEGAKVVI---ADFNEAAGKEAVEANPGVVFIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMVAEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGGIMM-
General information:
TITO was launched using:
RESULT:
Template:
4NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122319 for 2118 contacts (-57.8/contact) +
2D Compatibility (PS) -25799 + (NN) -5256 + (LL) 176
1D Compatibility (HY) -19600 + (ID) 5550
Total energy: -178348.0 ( -84.21 by residue)
QMean score : 0.588
(partial model without unconserved sides chains):
PDB file :
Tito_4NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBU-query.scw
PDB file :
Tito_Scwrl_4NBU.pdb
: