Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVRALKLLTTLLAVVAAAS----QAEVESEAGWGMVTPDLLFAEGT------AAYARGDWPGVVLSMERALRSRAALR---ALRLRCRTQCAADFPWELDPDWSPSPAQASGAAALRDLSFFGGLLR---RAACLRRCLGPPAAHSLSEEMELEFRKRSPYNYLQVAYFKINKLEKAVAAAHTFFV--GNPE--HMEMQQNLDYYQTMSGVKEADFKDLETQPHMQEFRLGVRLYSEEQPQEAVPHLEAALQEYFV------AYEECRALCEGP--YDYDGYNYLEYNADLFQAITDHYIQVLNCKQNCVTELASHPSREKPFEDFLPSHYNYLQFAYYNIGNYTQAVECAKTYLLFFPNDEVMNQNLAYYAAMLGEEHTRSIGPRESAKEYRQRSLLEKELLFFAYDVFGIPFVDPDSWTPEEVIPKRLQEKQKSERETAVRISQEIGNLMKEIETLVEEKTKESLDVSRLTREGGPLLYEGISL--TMNSKLLNGSQRVVMDGVISDHEC-------QELQRLTNVAATSGDGYRGQTSPHTPNEKFYGV----TVFKALKLGQEGKVPLQSAHLYY-------NVTEKVRRIMESYFRLDTPLYFS--YSHLVCRTAIEEVQAERKDDSHPVHVDNCILNAETLVCVKEPPAYTFRDYSAILYLNGDFDGGNFYFTELDAKTVTAEVQPQCGRAVGFSSGTENPHGVKAVTRGQRCAIALWFTLDPRHSERDRVQADDLVKMLFSPEEMDLSQE-QPLDAQQGPPEPAQESLSGSESKPKDEL------- 5E7P Chain:B ((18-744)) -PLSHLRLTARLNTSALDSRRGVVRLHPEVLAALGIREWDAVALTGTRTTAAVAGVAGPGVPAGTALLDDVTLSNAGVRENAAVLVSPVTVYGAR---SVTVSGSRLATQSISPATLRMA-LLGKVMTVGDTVSLLPR--DSAATSALASSVGITWTS----ELLTVTAVD---PPGTVSVQPNSVVSWGPPTGRHTVSPQRSEQPVSFDDVKV-------THPQAVKLDEWLRLSLDEPELLKTLGATPHLGVLVSGPAGVGKATMVRAVCASRRVVELDGPEVGALQVDERLRSVTSAVAAVTESGG-VLFIAD-------VDALLPA------------GNEMRPPEPVATLILAELRKAVATPGVAFIAT--------SAVPENVDARLRAPEVCDRELGLSL----------PDATARRSLLEMLLRGVPSEDLDLGDIADHTPGFVVADLAAVVREGALRAAARASSSDDDPVLRHADLEGALTVIRPLSRSASEEVSVGSVTLDDVGDMVETKRALTEAVLWPLQHPDTFSRLGIDPPRGVLLYGPPGCGKTFVVRALASSGRLSVHAVKGSELMDKWVGSSEKAVRELFARARDSAPSLVFLDEIDALAPRGVTDKVVASLLTELDGIEPLR---DVVVLGATNRPDLID----PALLRPG-----------RLERLVFVEPPDAAARRDILRTAGKSIPLADDV-------------DLDSLADDLDGYSAADCVALLRESAMTAMRRSIDAADVTAADVAKARETVRPSLDPAQVESLREFAEK

General information: TITO was launched using: RESULT: Template: 5E7P.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 : 3782 123561 32.67 191.27 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 32.67 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.130

(partial model without unconserved sides chains): PDB file : Tito_5E7P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E7P-query.scw PDB file : Tito_Scwrl_5E7P.pdb: