Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEARVIGLEK----LGKHDVELVGGKNSSLGEMISHLSNAGVSVPGGFATTADAYREFLDQ-----SGLNARIQAELAELNV------DDV---NALAETG------AKIRQWIVETPLTPGLEQEIRE---------AFAALSNGNPD--------------------IAVAVRSSATAEDLPDASFAGQQETF-LNIRG-------IDNVLIAVKEVFASLFNDRAIAYRVHQGFEHSLVALSAGVQRMVRSE---TGAAGVMFTLDTESGFRDVVFITASYGLGEMVVQGAVNPDEFYLSKPLLNAGKHAVLRRNLGSKHQKMIYGEEGSAGKSVVVVDVEKQERQQFALNDHELQELAKQALIIEKHYGAPMDIEWAKDGDDGQIYIVQARPETVKSRQNVGT---------M------E-R--------------YLLKQKGTVLCEGRSIGQRIGSGKVRIVNSIKE-MDKVQDGDVLVSDMTDPDWEPVMKRAAAIITNRGGRTCHAAIITRELGVPAIVGCGNAT------------EVLTDGQEVTVSCAEGDTGFIYEGALDFEVQRNS-------IESMPKLSFKIMMNVGNPDRAFDFAQIPNEGIGLARLEFIINRMIGVHPKALLNIESLPRET-RAAVMTRTAGYASPVEFYVEKLVEGIATLAAAFADKPVIVRMSDFKSNEYANL------------IGGKL-------Y-EPEEENPMLGFRGASRYISDNFRDCFELECRALKKVRDE---MG-LTNIQIMIPFVRTVSEAKRVIELLAQNGLK----R-GENGLKVIMMCELPTNALLAEQFLEHFDGFSIGSNDLTQLTLGLDRDSGI-VSH--------LFDERDAAVKALLSMAIHACRK------AGKYVGICGQGPSDHPDLAKWLMEQGIESVSLNPDSVLDTWFFLAEEKIKQI 1VBG Chain:A ((3-874)) -KKRVFHFGKGKSEGNKTMKELLGGKGANLAEMA----SIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDL--KELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITG-LRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMK-----------------------------------------------NLMPQAYDELVENCNILESHYKEMQDIEFTVQE--NRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARGWGKCCVSGCSGIRVNDAEKLVTIGGHVLREGEWLSL---NGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFAS-DERIKAVRQMIMAPTLELRQQA----------LDRLLPYQRSDFEGIFRAMDGLPVTIRLLDPPLHEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISY--PELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVYLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGE-PSSVAFFAKAGLDYVSCSPFRVPIARLAAAQV-----

General information: TITO was launched using: RESULT: Template: 1VBG.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 : 3785 109711 28.99 153.87 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 28.99 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_1VBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VBG-query.scw PDB file : Tito_Scwrl_1VBG.pdb: