Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITGAGSGMGREGATLFHANGWRVGAIDRNED-GLAALRVQLGAERLWARAVDVTDKAALEGALADFCAGNVGGGLDMMWNNAGIGEGGWFEDVPYEAAVRVVDVNFKAVLTGAYAALPYLKKAPGSLMFSTSSSSGTYGMPRIAVYSATKHAVKGLTEALSVEWQRHGVRVADVLPGLIDTAILTSTRQHSDEGPYTISAEQIRAAAPKKGMFRLMPSSSVAEAAWRAYQHPTRLHWYVPRSIRWIDRLKGVSPEFVRRHIAKSLATLEPKRK
4NBU Chain:A ((14-245))
-KVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAVEANPGV--VFIR-VDVSDRESVH-RLVENVAERFGK-IDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMVA-------EVPEKV-IEKMKAQVP---MGRLGKPEDIANAYLFLASHESD---YVNGHVLHVD--------------------------
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) -118801 for 2007 contacts (-59.2/contact) +
2D Compatibility (PS) -25207 + (NN) -13271 + (LL) 2688
1D Compatibility (HY) -14400 + (ID) 3800
Total energy: -172791.0 ( -86.09 by residue)
QMean score : 0.378
(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
: