Table 2.

The best Haddock score and their van der Waals and electrostatic and desolation and Z-score among 31 conformations of each peptide.

Peptide	HADDOCK score	Cluster size	Van der Waals energy	Electrostatic energy	Desolation energy	Buried Surface Area	Z-score
Meucin-18	−150.7 ± 4.2	134	−73.5 ± 4.9	−91.9 ± 30.2	−61.4 ± 5.7	1819.5 ± 56.2	−1.6
Meucin-13	−107.2 ± 6.0	32	−55.0 ± 3.8	−36.1 ± 9.0	−47.7 ± 5.2	1355.7 ± 79.2	−2.0
Hp1090	−103.0 ± 8.3	15	−52.8 ± 4.0	−55.0 ± 15.7	−42.2 ± 6.2	1318.7 ± 87.9	−2.1
Mut1	−128.9 ± 5.6	66	−69.5 ± 1.3	−49.6 ± 25.5	−54.4 ± 4.1	1452.0 ± 52.0	−2.0
Mut2	−140.2 ± 6.4	68	−65.3 ± 7.9	−150.6 ± 8.1	−50.0 ± 3.9	1741.0 ± 86.5	−2
Mut3	−139.2 ± 5.9	83	−78.8 ± 1.7	−90.8 ± 13.3	−46.9 ± 7.3	1965.0 ± 77.9	−1.8
Mut4	−119.9 ± 4.2	45	−70.9 ± 4.4	−53.2 ± 24.4	−48.3 ± 3.5	1545.5 ± 57.8	−2.3
Mut5	−131.8 ± 3.9	47	−77.0 ± 2.2	−65.6 ± 13.2	−46.7 ± 5.6	1718.1 ± 43.0	−2.2
Mut6 (Mut1+Mut4)	−130.6 ± 28.2	6	−61.0 ± 14.3	−186.5 ± 28.5	−35.5 ± 14.1	1652.4 ± 225.5	−2.2