2D1X

the crystal structure of the cortactin-sh3 domain and amap1- peptide complex

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 33
  • Norm. En. per Res.: -4.9889
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	11.8511	-41.6781	-29.827	32	0	3	1728	0	0	10
A-C	-36.7915	-21.6255	-169.383	-227.7999	64	15	1	6004	2	19	21
A-P	-21.6226	-24.664	-118.347	-164.6336	33	5	0	4059	5	11	1
A-Q	0.0	0.0	-0.0608	-0.0608	2	0	0	17	0	1	1
B-P	-9.7065	-11.478	-101.184	-122.3685	31	4	0	3369	0	6	0
C-D	0.0	10.8041	-38.4719	-27.6678	32	0	3	1719	0	0	10
C-P	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	2
C-Q	-23.2204	-23.5779	-117.958	-164.7562	34	6	0	4034	5	11	2
D-Q	0.0	-7.1275	-95.8657	-102.9932	31	6	0	3365	0	6	0

Interface residues

• A-B: ALA16A, ALA16B, ALA17A, ALA17B, ASN55A, ASN55B, ASP13A, ASP13B, ASP25A, ASP25B, GLN15A, GLN15B, GLU21A, GLU21B, GLY18A, GLY18B, PHE24A, PHE24B, PRO26A, PRO26B, PRO53A, PRO53B, SER23A, SER23B, TRP40A, TRP40B, TYR12A, TYR12B, TYR14A, TYR14B, TYR56A, TYR56B
• A-C: ALA54A, ARG42A, ARG42C, ARG48A, ARG48C, ASN2A, ASN2C, ASN32A, ASN32C, ASP19A, ASP19C, ASP20A, ASP20C, ASP37A, ASP38A, ASP3A, ASP3C, CYS45A, GLU1C, GLU21A, GLU21C, GLU34A, GLU34C, GLY-1C, GLY-4C, GLY18A, GLY18C, GLY39A, GLY43A, GLY43C, GLY47A, GLY47C, GLY50A, GLY50C, GLY5A, GLY5C, ILE22A, ILE22C, ILE33A, ILE33C, ILE36A, ILE36C, ILE6A, LEU-2C, LEU4A, LEU4C, LEU51A, LEU51C, LEU59A, LYS46A, LYS46C, MET35A, PHE52A, PRO-3C, SER0C, THR31A, THR31C, TRP40A, TRP41A, TRP41C, TYR49A, TYR49C, VAL44A, VAL44C
• A-P: ALA16A, ALA17A, ALA54A, ARG4P, ASN55A, ASP13A, ASP20A, ASP37A, ASP38A, GLN15A, GLU21A, GLY11P, GLY18A, GLY39A, ILE36A, LEU11A, LEU51A, LYS3P, PHE52A, PRO10P, PRO26A, PRO53A, PRO5P, PRO6P, PRO7P, PRO8P, PRO9P, TRP40A, TRP41A, TYR12A, TYR14A, TYR56A, VAL57A
• A-Q: LYS3Q, TYR49A
• B-P: ALA17B, ALA54B, ARG4P, ASN55B, ASP13B, ASP20B, ASP37B, ASP38B, GLN15B, GLU21B, GLY11P, GLY39B, ILE36B, LEU11B, LEU51B, LYS3P, PHE24B, PHE52B, PRO10P, PRO26B, PRO53B, PRO5P, PRO6P, PRO7P, PRO8P, PRO9P, TRP40B, TRP41B, TYR12B, TYR14B, TYR56B
• C-D: ALA16C, ALA16D, ALA17C, ALA17D, ASN55C, ASN55D, ASP13C, ASP13D, ASP25C, ASP25D, GLN15C, GLN15D, GLU21C, GLU21D, GLY18C, GLY18D, PHE24C, PHE24D, PRO26C, PRO26D, PRO53C, PRO53D, SER23C, SER23D, TRP40C, TRP40D, TYR12C, TYR12D, TYR14C, TYR14D, TYR56C, TYR56D
• C-P: LYS3P, SER0C
• C-Q: ALA16C, ALA17C, ALA54C, ARG4Q, ASN55C, ASP13C, ASP19C, ASP20C, ASP37C, ASP38C, GLN15C, GLU21C, GLY11Q, GLY18C, GLY39C, ILE36C, LEU11C, LEU51C, LYS3Q, PHE52C, PRO10Q, PRO26C, PRO53C, PRO5Q, PRO6Q, PRO7Q, PRO8Q, PRO9Q, TRP40C, TRP41C, TYR12C, TYR14C, TYR56C, VAL57C
• D-Q: ALA17D, ALA54D, ARG4Q, ASN55D, ASP13D, ASP20D, ASP37D, ASP38D, GLN15D, GLU21D, GLY11Q, GLY39D, ILE36D, LEU11D, LEU51D, LYS3Q, PHE24D, PHE52D, PRO10Q, PRO26D, PRO53D, PRO5Q, PRO6Q, PRO7Q, PRO8Q, PRO9Q, TRP40D, TRP41D, TYR12D, TYR14D, TYR56D