Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHSPIISISNLHLSFNDKIILNDISLDILKGESLVILGSSGSGKSVLTKTIIGLLAPDSGSIKINSKSKNKF-------GVLFQNSALFDYVAVWENISF--NYRK--RFNISKKE---AKQLAIEKLNDVGLEKNIADMFPIELSGGMKKRVALARAIAHNPEIIMLDEPTSGLDPIMSDIVKETIVKLSKDPSPTIITITHDIHDAFKIADKIAVLYEGSIISHGTVQEIKNTKNEYIKKFIRYVGTK 2IT1 Chain:B ((4-231)) -----IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKL---------LNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEV------YYKPKYKFVGGF

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) -131053 for 1667 contacts (-78.6/contact) + 2D Compatibility (PS) -22659 + (NN) -4189 + (LL) 744 1D Compatibility (HY) -18400 + (ID) 4600 Total energy: -180157.0 ( -108.07 by residue) QMean score : 0.471

(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: