Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNQLNELKRKMLEFFQQKQKNKKSARPGKKGSSTKKSKTLDKSAIFPAILLSIKALFNLLFVLGFLGGMLGAGIALGYGVALFDKVRVPQTEELVNQVKDISSISEITYSDGTVIASIESDLLRTSISSEQISENLKKAIIATEDEHFKEHKGVVPKAVIRATLGKFVGLGSSSGGSTLTQQLIKQQVVGDAPTLARKAAEIVDALALERAMNKDEILTTYLNVAPFGRNNKGQNIAGARQAAEGIFGVDASQLTVPQAAFLAGLPQSPITYSPYENTGELKSDEDLEIGLRRAKAVLYSMYRTGALSKDEYSQYKDYDLKQDFLPSGTVTGISRDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLD----------------------------------------------------------------------------------------------DGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFA-----NGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPE-YGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQD------------------------------KPVQVYSKATATIMQGLLREVLSS-------RVTTTFKSNLTSLNPTLANADWIGKTGTTNQDENMWLMLSTPRLTLGGWIGHDDNHSLS--RRAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLPTPSSSSSSSSSSSDSSNSSTTRPSSSRARR 5U2G Chain:B ((18-803)) -----------------------------------------------------------------------------------------------------LQQPMQIYTADGKLIGEVG-EQRRIPVKLADVPQRLIDAFLATEDSR-----------------------------------------------------------------NKQEILELYLNKIFLGYRS-----YGVAAAAQTYFGKSLNELTLSEMAIIAGLPKAPSTMNPLY---------SLKRSEERRNVVLSRMLDEKYISKEEYDAALKEPIVASY----AKFEFRADYVTEMVRQE--------MVRRFG-------------------EENAYTSGYKVFTTVLSKDQAEAQKAVRNNLIDYDMRHGYRGGAPLWQKNEAAWDNDRIVGFLRKLPDSEPFIPAAVIGIVKGGADILLASGEKMTLSTNAMRWTGRSNPVKVGEQIWIHQRANGEWQLGQIPAANSALVSLNSDNGAIEAVVGGFSYEQSKFNRATQSLVQVGSSIKPF-IYAAALEKGL-TLSSVLQDSPISIQKPGQKMWQPKNSPDR-YDGPMRLRVGLGQSKNIIAIRAIQT-AGIDF-TAEFLQRFGFKRDQYFASEALALGAA-SFTPLEMARAYAVFDNGGFLIEPYIIEKIQDNTGKDLFIANPKIACIECNDIPVIYGETKDKINGFASSKIEYAPRVISGELAFLIRSALNTAIYGEQGLDWKGTSWRI-------AQSIKRSDIGGKTGTTNSSKVAWYAGFGANLVTTTYVGFDDNKRVLGRGEAGAKTA-PAWITY-KTALSDKP----ERKLSLPPKIVEKNIDTLTGLLSPNGG--RKEYFIAGTEPTRT-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5U2G.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 : 2536 -41317 -16.29 -79.00 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -16.29 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_5U2G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U2G-query.scw PDB file : Tito_Scwrl_5U2G.pdb: