Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNQLNELKRKMLEFFQQKQKNKKSARPGKKGSSTKKSKTLDKSAIFPAILLSIKALFNLLFVLGFLGGMLGAGIALGYGVALFDKVRVPQTEELVNQVKDISSISEITYSDGTVIASIESDLLRTSISSEQISENLKKAIIATEDEHFKEHKGVVPKAVIRATLGKFVGLGSSSGGSTLTQQLIKQQVVGDAPTLARKAAEIVDALALERAMNKDEILTTYLNVAPFGRNNKGQNIAGARQAAEGIFGVDASQLTVPQAAFLAGLPQSPITYSPYENTGELKSDEDLEIGLRRAKAVLYSMYRTGALSKDEYSQYKDYDLKQDFLPSGTVTGISRDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYL---LDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQN-NHAFDTKRSPASTTKPLLAY------GIAIDQGLMGSE-TILSNY-PTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGY--MEKMGYEIPEYG-IESLPMGGGIE-VTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGT-------TNQDENMWLMLSTPRLTLGGWIGHDDNHSLSRRAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLPTPSSSSSSSSSSSDSSNSSTTRPSSSRARR 3ZG7 Chain:B ((8-433)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SKDEIMEMYLNRSYFGNGE-----WGVENASLKYFGKSAADLNIPEAATIAGLLQAPSAYDPYQH---------IDKATNRRNMVLNAMVETGTISKAEGDKYK------------------------ATKIVLNDQSKDPLANKYPWYVDAVINEAVNE--ADITQDEIMQKGYKIYTELDQNYQTSLENVYNNDGLFPSNANDGT-LVQSGAVLMDPATGGIRALVGGRGEHVFRGFNRATQMKAQPGSTMKPLAVYTPALQSGYDVDSMLKDEKITYKGNYTPTNVGG----VY-----SGEVPMYKAVANSINAPAVW---LLDQIGID-KGVKSVEKFGITVPEKDRTLGLALGGMSKGASPVEMATAYATFANNGAKPESHIITKIVDPSGNTVYENVPKTKQIISETVSNEMTSMLLDVINTG---------TGQSAAVSGHEMAGKTGSTQVPFDDTSGTKDQWFVGYTPNLVGAVWMGYD----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZG7.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 : 1981 -811 -0.41 -2.01 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -0.41 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.371

(partial model without unconserved sides chains): PDB file : Tito_3ZG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZG7-query.scw PDB file : Tito_Scwrl_3ZG7.pdb: