Table 1.

List of Binding Interface Residues on MAPK1 and Vinculin for Each Simulated Complex

Complex	Binding Interface Residues on MAPK1	Binding Interface Residues on Vinculina	Number of Vinculin Residues Common to the Reported Binding Site
1	10–14, 27–30, 36, 39, 43–48, 73–79, 81–86, 103–108, 112–117, 126, 133, 156–160, 162, 313–316, 318–319, 352, 354–356	600–609, 611–612, 615–619, 629, 700, 703, 707, 736, 746–747, 750–752, 754–755, 758, 761, 762, 764–765, 768, 771–772, 780, 784, 788, 791–792, 794–796, 799–800, 802, 803, 805	4/7
2	41, 44–48, 77, 85, 107, 122–123, 126, 156–160, 312–318, 324	603, 607, 654, 656–657, 660, 703, 707–708, 711–712, 715, 768, 769, 771–775, 780, 784, 788, 792, 795–796, 798–799, 802	1/7
3	9–14, 19–21, 24–29, 39, 41, 44–48, 77–79, 81–85, 104–105, 107, 122–123, 126, 156–160, 162, 313–316	604–609, 611–612, 615–620, 629, 747, 750–751, 754, 761, 764–765, 768, 781, 784, 788, 791–792, 794–796, 799–800, 802–805, 813	3/7
4	11–14, 25–28, 41, 43, 46, 48, 107, 122, 157, 279, 313	608, 611, 614–620, 689, 692–693, 696, 780, 784, 788, 792	0/7

^aVinculin residues within the experimentally reported binding site (vinculin residues 762–768) are presented in bold.