Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGE--TNFLEGQADADGVRLADGQRL--------AATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE 2IT1 Chain:A ((4-297)) ----IKLENIVKKFGN----FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVK-GEGEGIVGEVYSFEPLGREQIVTVSVNDSIVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKT

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) -170645 for 2185 contacts (-78.1/contact) + 2D Compatibility (PS) -31304 + (NN) -16126 + (LL) -64 1D Compatibility (HY) -28800 + (ID) 6550 Total energy: -253489.0 ( -116.01 by residue) QMean score : 0.495

(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: