Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSNQHIEELNDQQIVRREKMAALTEQGIDPFGKRFERTATSGQLNEKYADKSKEDLHDIEETATIAGRLMTKRGKGK-VGFAHIQDREGQIQIYVRKDSVGEENYEIF----KKADLGDFLGVEGQVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDIETIYRKRHLDLISNRDSFDRFVTRSKIISEIRRFMDSNGFLEVETPVLHNEAGGASARPFITHHNAQDIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEAYQAYADYQDIMDLTEGIIQHVTKTVKGDGP-----INYQGTEIKINEPFKRVHMVDAVKEITGIDFWKEMTLEEAQALAQEKNVPLE-----KHFTTVGHIINAFFEEFVEDTLIQP---TFVFGHPVEVSPLAKKNDTDPR-----FTDRFELFIMTKEYANAFTELNDPIDQLSRFEAQ----------------------------------ASAKELGDDEATGVDYDYVEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK |
| 4UPA Chain:A ((28-568)) | --------------------------GHNPWPHKFNVSITVPEFIAKYSGLEKSQVSD--DIVSVAGRVLSKRSSSSALMFIDLHDSQTKLQIMLNKSAY--ENKEDFVSLTKMIYRGDICGFTGHPTRTKTGELSLIPISGMILSPCLHMLPSMHYGLGDQETRFRKRYLDLIVNPESVKNFVLRTKVVKAVRKYLDDKGFLEVETPILNTIPGGATARPFITHHNQLDIQMYMRIAPELYLKELVVGGINRVYEIGRLFRNEGIDQTHNPEFTTCEFYMAYADYNDIMKMTEELLGNMVKDITGGSTKLEIK----------------------------------------------KKMVLDFTAPFKRISYV-HALEEKFGEKIPRPLDGPEALTFLKKQAIRFNAICAEPQTTARVMDKLFGDLIEVDLVQPTFVCDQPQLMSPLAKYHRSEPELTERFELFILKREIANAYTELNNPIVQRSNFEQQAKDKA-------LVDEVFLDAIEHAFPPTGGWGLGIDRLAMLLADVDNIKEVILFPTMR |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4UPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -103055 for 2799 contacts (-36.8/contact) +
2D Compatibility (PS) -42575 + (NN) -4008 + (LL) 7168
1D Compatibility (HY) -36800 + (ID) 8750
Total energy: -188020.0 ( -67.17 by residue)
QMean score : 0.383
|
|
|