Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKCARLNDRIIHLHTYSREHYQFLFEEGIKGHLFCSHCGKPVLLRLNIADPPEFIHRQPGDFPACEEACEPKPSKEGKKEDDQESGVIRLPKGKAIAADPSPAVTEWHRPRSIKPGTPFVPKTIEPDTSLFPSVGLNTDQLKAVTETEGPLLVLAGAGSGKTRVLTARAAHMIEHLGIPPENMLLVTFTTKAVAEMKERMANQYGLQPAKVRRIVTGTFHSLFYKILYHSNS-AKWNGEHLLKMEWQREQYIKKALYEEGIDEKESPVDQALQQIGFWKNTYVPNERIPLK------DEWEKQVYRLYEHYERQKKEHSQFDFDDMASACYELFIERPDLLEQYQSRFTYILIDEFQDINPVQYKIMQMLASPEQNLCCVGDDDQSIYAFRGSNPSFILDFQKDYPGAKTIYLTANYRSTHPIVSSADIVVKKNKNRYAKTLEAARDDIQVPVLFYPYDEEEEATMVVSDIKEKIQNGASPEDFAVLYRTNSGGRAIYERLHQSSIPYTADRGVQSFYSRRIVRQILAYLYASQNEDDTEAIKHLLPALFLKQS--ALNTLKALSITEDCTMIKALAKLP-D-LKPFQLDKIKKIVPFFASLR----TMKPVEAITFAEGKMGFSEYLKKRGNEG----NKLEKGSDDLRDIKVVAK-KFKTIPDFLAHVDHMRAAE----KN---RTDEHGVQLMTIHRSKGLEFKTVYVLGTVDGSIPHDFSLETARKGDEAALEEERRLLYVAMTRAKQHLYLSCPANRR-GK---TANRSRFLYPLLQKARQPLHH 4C2U Chain:A ((8-654)) ----------------------------------------------------------------------------------------------------------------------------------DLLQALNPTQAQAADHFTGPALVIAGAGSGKTRTLIYRIAHLIGHYGVHPGEILAVTFTNKAAAEMRERAGHL--VP--GAGDLWMSTFHSAGVRILRTYGEHIGLRRGFVIYDDDDQLDIIKEVMGSIPG---ETQPRVIRGIIDRAKSNLWTPDDLDRSREPFISGLPRDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKEVPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDRNLLVVGDPDQSIYKFRGADIQNILDFQKDYPDAKVYMLEHNYRSSARVLEAANKLIENNTERLDKTLKPVKEAGQPVTFHRATDHRAEGDYVADWLTRLHGEGRAWSEMAILYRTNAQSRVIEESLRRVQIPARIVG-GVGFYDRREIRDILAYARLALNPADDVALRRIIGRPRRGIGDTALQKLMEWARTHHTSVLTACANAAEQNILDRGAHKATEFAGLMEAMSEAADNYEPAAFLRFVMETSGYLDLLRQEGQEGQVRLENLEELVSAAEEWSQDEANVGGSIADFLDDAALLSSVDDMRTKAENKGAPEDAVTLMTLHNAKGLEFPVVFIVGVEQGLLPSKGAI----AEGPSGIEEERRLFYVGITRAMERLLMTAAQNRMQFGKTNAAEDSAFLEDIEGLFDT----

General information: TITO was launched using: RESULT: Template: 4C2U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3320 -255819 -77.05 -417.32 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -77.05 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_4C2U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C2U-query.scw PDB file : Tito_Scwrl_4C2U.pdb: