Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGAQMNKIEVKNVFKIFGPRADAALALIRQGRSKGEVLAQTGCVVGVNDLSLSIGAGEIFVIMGLSGSGKSTLVRHFNRLIDPTSGEILVDGEDILRYDMEALRQFRRRKISMVFQSFGLLPHKSVLDNVAYGLKVRGESRAQCHERALHWIATVGLKGYEKSYPHQLSGGMRQRVGLARALAADTEIILMDEAFSALDPLIRADMQDQLLELQKTLHKTIVFITHDLDEAVRIGNRIAILKDGQLIQVGTPREILHQPADDYVDRFVQRRVANL
2IT1 Chain:B ((9-241))
-------------------------------------IVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPP------KDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNF
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) -163495 for 1879 contacts (-87.0/contact) +
2D Compatibility (PS) -25074 + (NN) -8367 + (LL) 3408
1D Compatibility (HY) -24400 + (ID) 4200
Total energy: -222128.0 ( -118.22 by residue)
QMean score : 0.581
(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
: