Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLLDLLEIRKAYGDTRVLEGVALSLAPGEVVSLLGPSGCGKSTLLRIAAGLDDDFQGTVERNPILGFGPDGE---NGRSGGIGVVFQEPRLLPWLTVAQNVGFA-----DGWLEDEHWVERLLADVGLAGC----GGLLPKQLSGGMAQRAAIARGLYGRPQVLLLDEPFSAVDAFTRMRLQDLLQDVVQNYEISVLLVTHDLDEAFYLADRVLLMGGRPGHIRREFHVPLARPRDRRAVELAYLRGEALTEMQRAHVL
3TIF Chain:B ((21-226))
-------------------LKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVARF-GERIIYL--KDGEVERE---------------------------------
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) -122592 for 1504 contacts (-81.5/contact) +
2D Compatibility (PS) -21823 + (NN) -18636 + (LL) 4524
1D Compatibility (HY) -12000 + (ID) 3600
Total energy: -174127.0 ( -115.78 by residue)
QMean score : 0.480
(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
: