Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEIKNLSK--KFDQKTI--LDNVNITLQDGEILSIVGPSGGGKTTLLRCISGLEKMDAGEILIDGEKIDPMSRKDV----ENTIGVVFQEFHLFPHLSVLDNLILAPTLARKTKKADAVKEAERLLGLLDLAD----KANSMPYQLSGGQKQRVAIARALAMNPKVLLFDEPTSALDPDLRDHVAALILSLKKV-GITQIIVTHD---HTFAEKVADQMMEVEPLKKEAI
3TIF Chain:B ((1-215))
MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVEL-PLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVARFGERI---------------
General information:
TITO was launched using:
RESULT:
Template:
3TIF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116797 for 1535 contacts (-76.1/contact) +
2D Compatibility (PS) -22001 + (NN) -12099 + (LL) 1764
1D Compatibility (HY) -17200 + (ID) 4250
Total energy: -170583.0 ( -111.13 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_3TIF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TIF-query.scw
PDB file :
Tito_Scwrl_3TIF.pdb
: