Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKCARLNDRIIHLHTYSREHYQFLFEEGIKGHLFCSHCGKPVLLRLNIADPPEFIHRQPGDFPACEEACEPKPSKEGKKEDDQESGVIRLPKGKAIAADPSPAVTEWHRPRSIKPGTPFVPKTIEPDTSLFPSVGLNTDQLKAVTETEGPLLVLAGAGSGKTRVLTARAAHMIEHLGIPPENMLLVTFTTKAVAEMKERMANQYGLQPAKVRRIVTGTFHSLFYKILYHSNSAKWNGEHL-------LKMEWQREQYIKKALYE-EGIDEKESP------VDQALQQIGFWKNTYVPNERIPLKDEWEKQVY-RLYEHYERQKKEHSQFDFDDMASACYELFIERPDLLEQYQSRFTYILIDEFQDINPVQYKIMQMLASPEQNLCCVGDDDQSIYAFRGSNPSFILDFQKDYPGAKTIYLTANYRSTHPIVSSADIVVKKNKNRYAKTLEAARDDIQVPVLFY-PYDEEEEATMVVSDIKEKIQNGASPEDFAVLYRTNSGGRAIYERLHQSSIPYTADRGVQSFYSRRIVRQILAYLYASQNEDDTEAI--KHLLPALFLKQSALNTLKALSITEDCTMIKALAKLPDLKPFQLDKIKKIVPFFASLR--------TMKPVEAITFAEGKMGFSEYLKKRGNEG-----------NKLEKGSDDLRDIKVVAKKFKTIPDFLAHVDHMRA-AEKNRTDEHGVQLMTIHRSKGLEFKTVYVLGTVDGSIPHDFSLETARKGDEAALEEERRLLYVAMTRAKQHLYLSCPANRR--GKT--ANRSRFLYPLLQKARQPLHH 4C2U Chain:A ((13-645)) ---------------------------------------------------------------------------------------------------------------------------------------LNPTQAQAADHFTGPALVIAGAGSGKTRTLIYRIAHLIGHYGVHPGEILAVTFTNKAAAEMRERAGH---LVPG-AGDLWMSTFHSAGVRIL------RTYGEHIGLRRGFVIYDDDDQLDIIKEVMGSIPG---ETQPRVIRGIIDRAKSNL--WTPDDLDRSREPFISGLPRDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKEVPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDRNLLVVGDPDQSIYKFRGADIQNILDFQKDYPDAKVYMLEHNYRSSARVLEAANKLIENNTERLDKTLKPVKEAGQ-PVTFHRATDHRAEGDYVADWLTRLHGEGRAWSEMAILYRTNAQSRVIEESLRRVQIPARIVGGV-GFYDRREIRDILAYARLALNPADDVALRRIIGRPRRGIGDTALQKLMEWARTHHTSVLTACANAAEQNI--LDRGAHKATEFAGLMEAMSEAADNYEPAAFLRFVMETSGYLDLLRQEGQEGQVRLENLEELVSAAEEWSQDEANVGGSIADFLDDAALLSSVDDMRTKAENKGAPEDAVTLMTLHNAKGLEFPVVFIVGVEQGLLPSKGAIAEGPSG----IEEERRLFYVGITRAMERLLMTAAQNRMQFGKTNAAEDSAFL-------------

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 : 3077 -224146 -72.85 -381.20 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -72.85 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.412

(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: