1NAP

the crystal structure of recombinant human neutrophil- activating peptide-2 (m6l) at 1.9-angstroms resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 66
  • Norm. En. per Res.: -3.8159
• Hub Node: A(3)

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	-75.2508	9.9482	-182.893	-248.1957	77	6	11	8611	0	16	23
A-C	-12.7965	-33.0816	-114.864	-160.7421	67	20	3	6686	4	16	32
A-D	0.0	0.0	-14.644	-14.644	19	1	0	740	0	4	6
B-C	0.0	0.0	-17.1923	-17.1923	18	0	0	780	0	5	6
B-D	-63.0051	-23.3348	-165.51	-251.85	66	26	8	7423	1	18	26
C-D	-54.5597	10.6269	-171.554	-215.4868	77	5	10	8377	0	16	22

Interface residues

• A-B: ALA58A, ALA58B, ALA72A, ALA72B, ALA84A, ALA84B, ASN52A, ASN52B, ASP69A, ASP69B, ASP71A, ASP71B, ASP86A, ASP86B, GLN40A, GLN40B, GLN53A, GLN53B, GLN80A, GLN80B, GLU43A, GLU43B, GLU55A, GLU55B, GLY46A, GLY46B, GLY48A, GLY48B, GLY85A, GLY85B, HIS50B, ILE39A, ILE39B, ILE45A, ILE45B, ILE57A, ILE57B, ILE75A, ILE75B, ILE78A, ILE78B, LEU42A, LEU42B, LEU68A, LEU68B, LEU83A, LEU83B, LYS47A, LYS47B, LYS61A, LYS61B, LYS65A, LYS76A, LYS76B, LYS77A, LYS77B, LYS81A, LYS81B, LYS82A, LYS82B, PRO36A, PRO70A, PRO70B, PRO73A, SER41A, SER41B, THR49B, THR59A, THR59B, VAL44A, VAL44B, VAL54A, VAL54B, VAL56A, VAL56B, VAL79A, VAL79B
• A-C: ALA21A, ALA58A, ALA58C, ARG24A, ARG24C, ARG64A, ARG64C, ASN38C, ASN52A, ASP62A, ASP62C, CYS25A, CYS25C, CYS27A, CYS27C, CYS51A, CYS51C, CYS67A, CYS67C, GLN40A, GLN53A, GLN53C, GLU22A, GLU43A, GLU43C, GLU55A, GLU55C, GLY33C, GLY46A, GLY46C, GLY48A, GLY48C, GLY63A, GLY63C, HIS50A, HIS50C, ILE28A, ILE28C, ILE34A, ILE34C, ILE45A, ILE45C, ILE57A, ILE57C, ILE66A, ILE66C, LEU23A, LEU26A, LEU26C, LEU60A, LEU60C, LYS29A, LYS29C, LYS47A, LYS47C, LYS65A, LYS65C, THR31A, THR31C, THR49A, THR49C, THR59A, THR59C, VAL44A, VAL44C, VAL56A, VAL56C
• A-D: ARG64A, ARG64D, ASP62A, ASP62D, GLN40A, GLN40D, GLU43D, GLY63A, GLY63D, LEU60A, LEU60D, LYS61A, LYS61D, LYS65A, LYS65D, SER41A, SER41D, THR59A, THR59D
• B-C: ARG64C, ASP62B, ASP62C, GLN40B, GLN40C, GLU43B, GLY63B, GLY63C, LEU60B, LEU60C, LYS61B, LYS61C, LYS65B, LYS65C, SER41B, SER41C, THR59B, THR59C
• B-D: ALA21B, ALA21D, ALA58B, ALA58D, ARG24B, ARG24D, ARG64B, ARG64D, ASP62B, ASP62D, ASP69D, CYS25B, CYS25D, CYS27B, CYS27D, CYS51B, CYS67B, CYS67D, GLU22B, GLU22D, GLU43B, GLU43D, GLU55B, GLU55D, GLY33D, GLY48B, GLY48D, GLY63B, GLY63D, HIS50B, HIS50D, ILE28B, ILE28D, ILE34D, ILE45B, ILE45D, ILE57B, ILE57D, ILE66B, ILE66D, LEU23B, LEU23D, LEU26B, LEU26D, LEU60B, LEU60D, LEU68B, LEU68D, LYS29B, LYS29D, LYS61B, LYS61D, LYS65B, LYS65D, SER32B, SER32D, THR30B, THR30D, THR31B, THR31D, THR49B, THR49D, THR59B, THR59D, VAL56B, VAL56D
• C-D: ALA58C, ALA58D, ALA72C, ALA72D, ALA84C, ALA84D, ASN52C, ASN52D, ASP69C, ASP69D, ASP71C, ASP71D, ASP86C, ASP86D, GLN40C, GLN40D, GLN53C, GLN53D, GLN80C, GLN80D, GLU43C, GLU43D, GLU55C, GLU55D, GLY46C, GLY46D, GLY48C, GLY48D, GLY85C, GLY85D, HIS50D, ILE39C, ILE39D, ILE45C, ILE45D, ILE57C, ILE57D, ILE75C, ILE75D, ILE78C, ILE78D, LEU42C, LEU42D, LEU68C, LEU68D, LEU83C, LEU83D, LYS47C, LYS47D, LYS61C, LYS61D, LYS65C, LYS76C, LYS76D, LYS77C, LYS77D, LYS81C, LYS81D, LYS82C, LYS82D, PRO36C, PRO70C, PRO70D, PRO73C, SER41C, SER41D, THR49D, THR59C, THR59D, VAL44C, VAL44D, VAL54C, VAL54D, VAL56C, VAL56D, VAL79C, VAL79D