Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRNHICNIGGKNVGKPIISFDQVVKRYDDETVLKKVSFEIEQGKFYTLLGPSGCGKTTILRIIAGFTEATEGDIYFEGKRLNDLPANKRQVNTVFQDYALFPHMNVFDNVAFGLKIKKMSKSDIEKKVKDALRMVQLPGYEKREISEMSGGQRQRVAIARAIVNEPKVLLLDEPLSALDLKLRTDMQYELRDLQQRLGITFIFVTHDQEEALAMSDEIFVMNKGKIVQSGTPVDIYDEPINHFVADFVGES--NIVDGVMIEDNLV--EFVGKQFE--CVD-GGMRLNEPVEVVLRPEDLTITTPDKGKLVVTVDTQLFRGVHYEIICYDEQQNEWMVH--STKKAKEGSKVGLAFEPEDIHVMRFNESEEEFDARLDSYEE 2IT1 Chain:A ((3-355)) -----------------EIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVKGEGEGIVGEVYSFEPLGREQIVTV-SVNDSIVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKTEK------------

General information: TITO was launched using: RESULT: Template: 2IT1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1775 -119829 -67.51 -348.34 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -67.51 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.525

(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: