Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLIDIQNLTIKNTCEKYLIKGIDLKIFSQQINALIGESGAGKSLIAKALLEYLPFDLSCTYDSYQFDGENISRLSQYYGHTIGYISQNYAESFNDHTKLGKQLTAIYRKHYKSSKEEALSKIDKALSWVNLQSKDILNKYSFQLSGGQLERVYIASVLMLEPKLIIADEPVASLDALNGNQVMDLLQHIVLEHGQTLFIITHNLSHVLKYCQYIYVLKEGQIIERGNINHFKYEHLHPYTERLIKYRTQLKRDYYD
2IT1 Chain:A ((22-224))
----------------------INLKIKDGEFMALLGPSGSGKS----TLLYTIAGIYKPTSGKIYFDEKDVTELPPK-DRNVGLVFQNWA--LYPHMTVYKNI-AFPLELRKAPREEIDKKVREVAKMLHIDK--LLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYK----------------------
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146706 for 1584 contacts (-92.6/contact) +
2D Compatibility (PS) -21876 + (NN) -9783 + (LL) 4232
1D Compatibility (HY) -12400 + (ID) 3350
Total energy: -189883.0 ( -119.88 by residue)
QMean score : 0.402
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: