Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSSGPGPRFLLLLPLLLPPAASASDRPRGRDPVNPEKLLVITVATAETEGYLRFLRSAEFFNYTVRTLGLGEEWRGGDVARTVGGGQKVRWLKKEMEKYADREDMII------MFVDSYDVILAGSPTELLKKFVQSGSRLLFSAESFCWPEWGLAEQYPEVGTGKRFLNSGGFIGFATTIHQIVRQWKYKDDDDDQLFYTRLYLDPGLREKLSLNLDHKSRIFQNLNGALDEVVLKFDRNRVRIRNVAYDTLPIVVHGNGPTKLQLNYLGNYVPNGWTPEGGCGFCNQDRRTLPGGQPPPRVFLAVFVEQPTPFLPRFLQRLLLLDYPPDRVTLFLHNNEVFHEPHIADSWPQLQDHFSAVKLVGPE----EALSPGEARDMAMDLCRQDPECEFYFSLDADAVLTNLQTLRILIEENRKVIAPMLSRHGKLWSNFWGALS-PDEYYARSEDYVELVQRKRVGVWNVPYISQAYVIRGDTLRMELPQRDVFSGSDTDPDMAFCKSFRDKGIFLHLSNQHEF-GRLLATSRYDTEHLHPDLWQIFDNPVDWKEQYIHENYSRALEGEGIVEQPCPDVY-WFPLLSEQMCDELVAEMEHYGQWSGGRHEDSRLAGGYENVPTVDIHMKQVGYEDQWLQLLRTYVGPMTESLFPGYHTKARAVMNFVVRYRPDEQPSL--RPHHDSSTFTLNVALNHKGLDYEGGGCRFLRYDCVISSPRKGWALLHPGRLTHYHEGLPTTWGTRYIMVSFVDP 4IUW Chain:A ((4-633)) ------LPR--IQDDLYLAVNGEWQAK----TPIPPDKSVVSADSNLTDDIRQKLVADLSTMTKTAKTLPLQYAARLFAKAND-----QTRRQQLGIEPVRDRISFLMALTTLDQFRSAMPKLVADQYVLPISPYVDADMH----------------------DAEHNILNLGG----PDTILPDAAMYNQEDAENAADLAAWSQMAAAMLAAVGFSQTDQTAYVEAAK-RFDRRLADYVPANVDLAVDSTYDNPLS---WQAFEDAAGYLG--IPQAFAT------------YMP--QTPAKVNAVV-----PAYLPHLSKLLTPDNYSEWHAWMVINELLTCA-TYLSDDLRQLAGQYDRFLAGQPEASSWTKHAFGIANEYFDDVIGQY-YGQTYFGADAKADVTAM--VKQILAQYRVQLENNTWLSPATKQKAMRKLATMQVKMGYPARLFSLYDHLSVDV-DDDLLTAILKLSAQTQAFWFKQ----LGQTVDRNQWNMPGHLVNASYDPLKNDITFPAGILQPPYYSLK------WTRAENLGGTGATIGHE-ISHSFDNNGALYDEYGNLHNWWTPADKQAFDQLVKAMAA--QFDGRDYEGVKVNGTL----TVSENMADNAGMDVALALLGD--QPDVKDLQAFFITYARS---WATKMRPERAKTVLRQDVHAPATLRVNVPVQNFPAWYQAFNVQ----------PQDGMYRQPQKRLTIWHQ------------------

General information: TITO was launched using: RESULT: Template: 4IUW.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 : 3219 60417 18.77 98.24 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 18.77 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_4IUW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IUW-query.scw PDB file : Tito_Scwrl_4IUW.pdb: