Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNQLNELKRKMLEFFQQKQKNKKSARPGKKGSSTKKSKTLDKSAIFPAILLSIKALFNLLFVLGFLGGMLGAGIALGYGVALFDKVRVPQTEELVNQVKDISSISEITYSDGTVIASIESDLLRTSISSEQISENLKKAIIATEDEHFKEHKGVVPKAVIRATLGKFVGLGSSSGGSTLTQQLIKQQVVGDAPTLARKAAEIVDALALERAMNKDEILTTYLNVAPFGRNNKGQNIAGARQAAEGIFGVDASQLTVPQAAFLAGLPQSPITYSPYENTGELKSDEDLEIGLRRAKAVLYSMYRTGALSKDEYSQYKDYDLKQDFLPSGTVTGISRDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYL---LDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQN-NHAFDTKRSPASTTKPLLAYGIAIDQG-----LMGSETIL--SNY-PTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGY--MEKMGYEIPEYG-IESLPMGGGIE-VTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGT-------TNQDENMWLMLSTPRLTLGGWIGHDDNHSLSRRAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLPTPSSSSSSSSSSSDSSNSSTTRPSSSRARR 3ZG9 Chain:B ((9-433)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDEIMEMYLNRSYFGNGE-----WGVENASLKYFGKSAADLNIPEAATIAGLLQAPSAYDPYQH---------IDKATNRRNMVLNAMVETGTISKAEGDKYK------------------------ATKIVLNDQSKDPLANKYPWYVDAVINEAVNE--ADITQDEIMQKGYKIYTELDQNYQTSLENVYNNDGLFPSNANDGT-LVQSGAVLMDPATGGIRALVGGRGEHVFRGFNRATQMKAQPGSTMKPLAVYTPALQSGYDVDSMLKDEKITYKGNYTPTNVGG----VY-----SGEVPMYKAVANSINAPAVW---LLDQIGID-KGVKSVEKFGITVPEKDRTLGLALGGMSKGASPVEMATAYATFANNGAKPESHIITKIVDPSGNTVYENVPKTKQIISETVSNEMTSMLLDVINTG---------TGQSAAVSGHEMAGKTGSTQVPFDDTSGTKDQWFVGYTPNLVGAVWMGYD----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZG9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2000 59 0.03 0.15 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 0.03 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_3ZG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZG9-query.scw PDB file : Tito_Scwrl_3ZG9.pdb: