Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMPAAETQPKKKRMTFKMPDAYVLLFMIAFICAIASYIVPAGEFDRVTKGDVTTAVPGSYHSIEQSPVRLISFFTSLQDGMVGSAPIIFLILFTGGT-----------IAILEKTGAINGL--------------IYNVISKFRTKQLLFICIVGALF--SILGTTGIVVNSVIGFIPIGLIVARSLKWDAVAGAAVIYIGCYAGFNSTILSPSPLGLSQSIAELPL-------FSGIGLRVVIYICFL----LSSIIYIYLYTRKLK-KSKDASVLGTDWFPAAGMGEAGKEED--------------QSVPFTVRHKLILAVAGLSLVGFLYGALKLGWSDSQMAATFIFISVLAGLIGGLAANDIAKTFITGC---------------QSLVY-------GALIVGMARSISVILENGKLLDTVVNALASLLDGFSPIAGAIGMY--IASALLHFLISSGSGEAVVFIPILAPLADLMGITRQVAVEAVMLG-------EGVVNCVNPTSGVLMAVLAASGIPYVKWLRFMVPLALIWFLIGLVFIVIGVMINWGPF---------------- 4XGC Chain:C ((1-676)) MQPFYEEYRKAWNQINDHIADLQHRSYARTLE-QLVDFVVGQAERDEVLP---TAALLTGINQPDH-----LSQFTALTQRLHAQRAAMVCVLQSRDCATLKAAVETLVFGLVEDNAEVEQLRRSQCTMKQLKSWYTNNFDSEQKRRQLVVILPDFECFNASVLQDLILILSAHCGSLPFVLVLGVATAMTAVHGTLPYHVSSKIRLRVFQTQAAPTGLNEVLDKVLLSPKYAFHLSGKTFKFLTHIFLYYDFSIHGFIQGFKYCLMEHFFGGNAFALCTDYSKALGRIKQLTHEDMETIRRLPSFRPYVEQINDCKRIIAVLTDDDYLKKKLPQLLRDCLLHFLLFRCSLEFLTELVGDLPRCPLGKLRRELYVNCLNRAIISTPEYKECLQMLSFLSKDEFVAKVNRALERTEQFLVEEIAPLELGEACTAVLRPKLEAIRLAVDEVGRALQKTLQLIETQIVQDHLRALQDAPPIHELFVFSDIATVRRNIIGAPRAALHTALNNPHFPDLSVVYKLHLECG-RMINLFDWLQAFRSVVPQIQARFTRAVAELQFLGYIKMSKRKTDHATRLTW

General information: TITO was launched using: RESULT: Template: 4XGC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1776 -327215 -184.24 -700.67 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.66 3D Compatibility (PKB) : -184.24 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.148

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: