Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKVHQSACPLNCWDSCGFLVTVDDGKVTKVDGDPNHPITEGKICGRGRMLETKTNSPDRLRYPMKKQ---------------NGEFVRISWEQALDEIADKLREIKETSETTAVLH-SHDYANNGLLK---ALDQRFFNGYGGVTEIVGSICWGSGIEAQSWDFGRSYGHGPLDIY-----------NSKHVVVWGRNVSRTNM--------HLYHHLQQVKKKGATITVIDPIFNPTAKL-ADRYISVKPGMDGWLAAAVLKVLIEMGRTDETFISEHSVGFDDVKELL--------KTVSLEEFIVKTETSMEELEYLAGLYADGPVSTFMGLGMQRYKNGGGTIRWIDALVAASGNVGIKGGG-------------ANFGNVQIGESFAKTKLTLPE-LKTTSRSFSMMTQAEEVL------------TAADPAIEMIIVTCGNPLTQVPNTNKVRQAFEKVPMTVAIDSIMTDTAELCDYVLPTATVFEEEDIYYSSMYHHY-VQYGKKLVEPQGEAKSDSWIWSELAKRLGFGELFEYSTQE------FLEMGLSSLEAEDVTL---ERLKEKGHLPLPVKQ----VPWDDYQ-------FLTPSGKFEFTSSLAEQKGFSGSLQLNVPEESVFHNEELAGKYPYTLLSIHPQRSNHSQHVPFIEK-----LQHVQVDISPDIAAGQDLQDGDEVVIFNDRGSMKGKVKVMKQAHAKTINIDEGMWAAFGGSVNALTNDTNSDNGMGSTLFDCLVGLKKA 4DMR Chain:A ((59-760)) ------------------FTATVENGRATAFTPWEKDPHPSPMLAG---VLDS-IYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPSGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAA------QVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGAEHITPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPYLDGETDSTPKTAEWAEGI--SGVPAETIKELARLFESKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSYHYSGGGTPSTSGPALAGITDGG---KGPEWLAAS---VIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFVVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAVAERLGKGAEFTEGKDEMGWIKSFYDDAAKQGKAAGVQMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGW----------------------------------

General information: TITO was launched using: RESULT: Template: 4DMR.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 : 3414 81322 23.82 136.22 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 23.82 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_4DMR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DMR-query.scw PDB file : Tito_Scwrl_4DMR.pdb: