Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRIVQPVIEQLKAQSHPVCHYIYDLVGLEHHLQHITSSLPSNCQMYYAMKANSERTILDTISQYVEGFEVASQGEIAKGL-AFKPANHIIFGGPGKTDEELRYAVSEGVQRIHVESMHELQRLNAILEDEDKTQHILLRVNLA-GPFPNATLHMAGRPTQFGIS--EDEVDDVIEAALVMPNIHLDGFHFHSISNNLDSN-----LHVDVVKLYFKKAKSWSEKHRFPLKHINLGGGIGVNYADLTSQFEWDNFVENFKTLIVEQE----MEDVTLNFECGRFIVAHIGYYVTEVLDIKKV------HGAWYAILRGGTQQFRLPVSWQHNHPFEIYRYKDNPYSFEKVSISRQDTTLVGQLCTPKDVFAREVQI-DAISTGDVIVFKYAGAYGWSI-SHHDFLSHPHPEFIYLTQTKEDE |
2O0T Chain:A ((37-421)) | ------------AQEYGTPLFVIDEDDFRSRCRETAAAFGSGANVHYAAKAFLCSEVARWISEEGLCLDVCTGGELAVALHASFPPERITLHGNNKSVSELTAAVKAGVGHIVVDSMTEIERLDAIAGEAGIVQDVLVRLTVGVEAHTHEFISTAHEDQKFGLSVASGAAMAAVRRVFATDHLRLVGLHSHIGSQIFDVDGFELAAH-RVIGLLRDVVGEFGPEKTAQIATVDLGGGLGISYLPSDDPPPIAELAAKLGTIVSDESTAVGLPTPKLVVEPGRAIAGPGTITLYEVGTVKDVDVSATAHRRYVSVDGGMSDNIRTALYGAQYDVRLVSRVSDAPPVPAR---------LVGKHCESGDIIVRDTWVPDDIRPGDLVAVAATGAYCYSLSSRYNMVGRP-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2O0T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181052 for 3050 contacts (-59.4/contact) +
2D Compatibility (PS) -38847 + (NN) -11899 + (LL) 3356
1D Compatibility (HY) -15200 + (ID) 4450
Total energy: -248092.0 ( -81.34 by residue)
QMean score : 0.440
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