Table 2. Calculated total interaction energy and its two components – total Van der Waal’s Energy and total Electrostatic Energy.

Antibody-Carbohydrate Complex	Total Interaction Energy (in Kcal/mol)	Total Van der Waals Energy (in Kcal/mol)	Total Electrostatic Energy (in Kcal/mol)	KD (in M)	Total No of mutations in framework region with respect to the germline structure	CDR2-H electrostatic contribution (in Kcal/mol)
mu3S193-LeY	−226.87	−15.18	−211.69	5.3×10−9	9	−80.55
hu3S193-LeY	−220.15	−15.61	−204.54	2.4 ×10−7	51	−67.15
BR96-LeY	−213.13	−11.56	−201.56	9.9 ×10−6	13	−87.39
Germline antibody	−212.84	−15.25	−197.59	N/A	0	−83.21
B3-LeY	−211.64	−13.37	−198.27	N/A	11	−95.30
BR55-LeY	−188.16	−10.54	−177.62	8×10−6	6	−110.21

The K_D values are taken from literature for comparison purpose.