Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENNLILPALILVPFIAGFTCWLVDKLD-KTLPRWIALIGMLITLGLGLALWQSGTYSYELGSKVPTWTAEFYLPWIQ--SLGIGIHLAVDGLSLLMVLLTALLGVLAVGCS--WGEIQKNVGFFHLNLLWSLGGVIGVFLAIDLFLFFFFWEMMLVPIYFLIALWGHKGSNGRSRVYAATKFFLYTQIAGLVMLIGILGLVVYGYMMTGMIGFDYNYLLAVANR---LPAGFAYGFMICFFIGFAVKLPVFPLHGWLPDAHAQAPTAGSVDL-AGILIKTAAYGLLRFVIPFFPAASAQFADIAIIFGLIGIFYGAWCAYQQTDMKRLLAYTSISHMGFVLLAIYAGNILTFQGLMIMMLAHGLSSAALFIMSGQIYER-LHTRDLRLMGGLRGQLQYLPFFLMFFVAALIGVPG-LGNFIGEFLILMGSFNKYPV-FTIIASISLVFAGLYGLILIHRALFGEPNSEQKQHYTSPLKDLSAREVSILMICAIGLVWLGIYPQTFLDVSHSSMQWLVNSYVPVQEFVETVQQTATQLDHVEIQ 3RKO Chain:L ((2-472)) ----NMLALTIILPLIGFVLLAFSRGRWSENVSAIVGVGSVGLAALVTAFIGVDFFANG------EQTYSQPLWTWMSVGDFNIGFNLVLDGLSLTMLSVVTGVGFLIHMYASWYMRGEEGYSRFFAYTNLFIASMVVLVLADNLLLMYLGWEGVGLCSYLLIGFYYTD----PKNGAAAMKAFVVTRVGDVFLAFALFILYNELGT------LNFREMVELAPAHFADGNNMLMWATLMLLGGAVGKSAQLPLQTWLADAMA-GPTPVSALIHAATMVTAGVYLIARTHGL-FLM-TPEVLHLVGIVGAVTLLLAGFAALVQTDIKRVLAYSTMSQIGYMFLALGVQ---AWDAAIFHLMTHAFFKALLFLASGSVILACHHEQNIFKMGGLRKSIPLVYLCFLVGGAALSALPLVTAGFFSKDEILAGAMANGHINLMVAGLVGAFMTSLYTFRMIFIVFHGKEQIHA-----H--AVKGVTHSLPLIVLLILSTFVGALIV----------------------------------------

General information: TITO was launched using: RESULT: Template: 3RKO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 2733 -444711 -162.72 -968.87 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain L : 0.73 3D Compatibility (PKB) : -162.72 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_3RKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RKO-query.scw PDB file : Tito_Scwrl_3RKO.pdb: