Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MDLP----NPVLAK-VTERVIARS-QKTR--SAYLQRIEHA--QGKFPARGALSCANLAHGFA----------GMEDNEKLIIKVGREPNIGIVSSYN--EMLSAHAPYKTFPDIIKTAARENGGVAQFAGGVPAMCDGITQGNASMELSLF-------SRETIAMGTAIALS---------HNMFDA---ALCLGVCDKI----------------VPGL---------------------------------LIGALQFGYLPTIFVPAGPMSSGLSNDDKAKIRQQF-ATGQVGRDA-LLEAESAAYHG-QGTCTFYGT-ANSNQ-MLMEVMGL------HLPSAAFVHPHTPLRDALTAEAAKRVLDLTAEQGNY------TPIGHVIDEKAIINGIVALLATGGSTNHTLHLIAIAHAAGILIDWDDFDELSAVVP--LLAKIY-PNGKADVNHFQAAGG--VAFLIRNLLEAGLLHNDVKTVAGKGLQHYTKEPKLIDGKLTW-----VDGVVQSLDDK-----VLRSIDAPFQPDGGLRLMQGRLGRGVIKISAVAPEHRKVKAPAI------VFDSQ-EAVQAAFDRGELHRDFIAVVRFQGARANGMPELHRLTPVLGVLQDQGFHVA--L-VTD--------------GRMSGASGKVPAVIHLSPEALLNGPIGKVQT-GDMLIIDAEAGVL-----------------------DIE-LDEQTW-----------QSRPVAQPEHQAENEVGFGRELFGVFRAAAAPAEHGASVFGALVGEEPQGQI-------------------------------------------------------------------------------------------------------------------- 4Q2C Chain:A ((24-949)) GSPVGAAGWRVDPWIFWAKWGSGPDLGWHPLLCHMLDVAAVTLQMWRRVLPAAWKARISGVLGVGQEDAERWLAFFAGGHDIGKASPAFQLQLRPEQGRELVARRLRDAGLPLFNARAPHGTISANVLETVLADVFGLSGRSARWVAFAVGGHHGFVPSYDEVRRDLDQQAVGWGMWDAAREVLLCRLADALGLPGSSRPTVESTPDAFMLAGLVSVADWIGSNEEYFPYAAQSALQVPQLDAEAYLERAMRQAERAMASLGWVGWRPASGSMRLTELFPYIRQPTTVQAAAEELAGEVKSPSITIIEAPMGEGKTEA-AMLLADTFSTAHGMSGCYFALPTMATSNQMFGRVTDYLRHRYPEDVVVVNLVHGHSD-LSALLQELRQKGEEIFQLQGVYDEALGDEQLGAVVAGQWFTRGKRALLPPYGVGTVDQALLAVLQVKHVFVRLFALSTKTVIVDEVHAYDVYMTTLLHRLLEWLGALSVPVVVLSATLPSARRRELVKAYARGAGWQAERDLPPAGYPRITYAAAEDVRGIHFAPSEASRRKVALRWVSAPEHEALGQLLAEALSQGGCAAIICNTVPRAQALYSALREVFPGLAEDGMPELDLLHARYPYEEREVREARTLGRFSRNGRRPHRAILVATQVIEQSLDLDFDLMVTDLAPVDLVLQRMGRLHRHPVHDPLRPERLR-SPELWVVSP----QVMGDVPIFDRGSASVYDEHTLLRSWLALRDRDTLQLPEDIEELVEQVYSDGRVPQGASEELRSLWERTFKAQQKVLREDSLQAKYRYIKGPGYN--SIWGIVTASVEEDAPELHPALQALTRLAEPSVSAVCLVAGSGGPCLPDGTPVDLDTPPDAAMAERLLRRSVAITDARVLDPLLDVPVPKGWERSSLLRGYRPLVFDASGRAMVGRWIVRIDPELGIVVESP

General information: TITO was launched using: RESULT: Template: 4Q2C.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 : 3342 -23092 -6.91 -37.98 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -6.91 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.119

(partial model without unconserved sides chains): PDB file : Tito_4Q2C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q2C-query.scw PDB file : Tito_Scwrl_4Q2C.pdb: