Table 2. Results of MM-GBSA calculations on PCSK9/peptide complexes.

Peptide	Sequence	ΔGMM-GBSA ± SE ΔG = GComplex − (GPCSK9 + GPeptide) [kcal/mol]
T9	GQEQSHQDEGVIVR	−46.1 ± 1.0
T1	IILGNEDEQEYEEQR	−42.0 ± 0.9
P5	LILPKHSDAD	−39.1 ± 0.8
P3	YDFYPSSTKDQQS	−37.4 ± 1.2
T10	LLGFGINAYENQR	−31.1 ± 0.8
T4	INEGALLLPHYNSK	−25.9 ± 1.2
T5	HSDADYVLVVLNGR	−20.0 ± 1.4
T3	IVEFQSKPNTLILPK	−19.7 ± 0.8
P6	LRIPAGSTSY	−16.3 ± 1.1
P1	YEITPDRNPQVQDL	−15.6 ± 0.9
T13	LNALEPDNTVQSEAGTIETWNPK	−10.9 ± 2.7
T2	AVNELTFPGSAEDIER	−8.6 ± 0.5
T6	SNEPIYSNK	−8.1 ± 0.5
P7	LTFPGSAED	−8.2 ± 0.7
T16	QEEQLLEQELENLPR	−4.7 ± 1.4