Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENNLILPALILVPFIAGFTCWLVDKLDK-TLPRWIALIGMLITLGLGLALWQSGTYSYELGSKVPTWTAEFYLPWIQSLGIGIHLAVDGLSLLMVLLTALLGVLAVGCS--WGEIQKNVGFFHLNLLWSLGGVIGVFLAIDLFLFFFFWEMMLVPIYFLIALWGHKGSNGRSRVYAATKFFLYTQIAGLVMLIGILGLVVYGYMMTGMIGFDYNYLLAVANRL--PAGFAYGFMICFFIGFAVKLPVFPLHGWLPDAHAQAPTAGSVDL-AGILIKTAAYGLLRFVIPFFPAASAQFADIAIIFGLIGIFYGAWCAYQQTDMKRLLAYTSISHMGFVLLAIYAGNILTFQGLMIMMLAHGLSSAALFIMSGQIYERL-HTRDLRLMGGLRGQLQYLPFFLMFFVAALIGVPGLGNFIGEFLILMGSFNKYPV---FTIIASISLVFAGLYGLILIHRALFGEPNSEQKQHYTSPLKDLSAREVSILMICAIGLVWLGIYPQTFLDVSHSSMQWLVNSYVPVQEFVETVQQTATQLDHVEIQ 4HE8 Chain:L ((1-460)) ----MALLGTILLPLLGFALLGLFGKRMREPLPGVLASGLVLASFLLGAGLLLS--G---------G--ARFQAEWLPG--IPFSLLLDNLSGFMLLIVTGVGFLIHVYAIGYMGGDPGYSRFFAYFNLFIAMMLTLVLADSYPVMFIGWEGVGLASFLLIGFWYKN----PQYADSARKAFIVNRIGDLGFMLGMAILWALYGT------LSISELKEAMEGPLKNPDLLALAGLLLFLGAVGKSAQIPLMVWLPDAMA-GPTPVSALIHAATMVTAGVYLIARSSFL-YSV-LPDVSYAIAVVGLLTAAYGALSAFGQTDIKKIVAYSTISQLGYMFLAAGVGA---YWVALFHVFTHAFFKALLFLASGSVIHALGGEQDVRKMGGLWKHLPQTRWHALIGALALGGLPLLSGFWSKDAILAATLTYPFGGVGFYVGALLVAVLTAMYAMRWFVLVFLGEERGHH----HP--HEAPPVMLWPNHLLALGSVLAGYLA-----------------------------------------

General information: TITO was launched using: RESULT: Template: 4HE8.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 : 2717 -470344 -173.11 -1045.21 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain L : 0.72 3D Compatibility (PKB) : -173.11 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_4HE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HE8-query.scw PDB file : Tito_Scwrl_4HE8.pdb: