3NSW

crystal structure of ancylostoma ceylanicum excretory-secretory protein 2

• Total interactions analyzed: 21
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 53
  • Norm. En. per Res.: -4.3205
• 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	-22.89	-67.8251	-142.137	-232.8521	54	2	0	4280	6	14	12
A-C	0.0	0.0	-24.693	-24.693	13	0	0	1150	0	0	0
A-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	2
A-E	-5.9877	-6.4483	-43.2115	-55.6476	33	0	0	1774	2	23	23
B-D	0.0	0.0	-0.1138	-0.1138	4	0	0	42	0	3	1
B-E	0.0	0.0	-0.239	-0.239	8	0	0	45	0	0	0
B-F	-22.9882	-71.5359	-124.133	-218.6571	54	4	0	4058	6	14	12
B-G	0.0	0.1714	-60.1849	-60.0135	32	2	0	2356	1	12	12
C-D	-33.5926	-72.1169	-123.277	-228.9865	53	5	0	4123	6	14	13
C-E	-9.4153	3.8981	-29.425	-34.9423	21	2	0	1189	0	6	8
C-F	0.0	0.0	1038.27	1038.27	14	73	0	650	0	0	0
D-F	-2.9522	0.0	-35.6796	-38.6318	26	1	0	1565	0	2	3

Interface residues

• A-B: ALA31B, ALA69A, ARG32B, ARG40A, ARG59B, ASN35A, ASN35B, ASN81B, ASP60B, ASP61B, ASP70A, ASP72A, ASP83B, ASP90A, GLN37A, GLN82B, GLU102A, GLU19B, GLU1B, GLY-3B, GLY28A, GLY56B, GLY80B, GLY91A, HIS-1B, HIS89A, LEU36A, LEU58B, LEU67A, LEU88A, LEU92A, LYS78B, MET0B, PHE55A, PRO53B, SER-2B, SER33B, SER54A, SER79B, THR25A, THR27A, THR30B, THR57B, THR68A, THR71A, TRP39A, TYR23A, TYR2B, TYR34B, TYR38A, TYR73A, VAL24A, VAL26A, VAL74A
• A-C: ASP98A, GLN51C, GLN94A, GLU96A, LEU99A, LYS95A, LYS97A, PRO49C, PRO53C, SER50C, SER54C, SER93A, TRP52C
• A-D: LYS46D, SER8A
• A-E: ALA48A, ARG11E, ARG40A, ASN64E, ASP14E, ASP17E, ASP43A, ASP98A, GLN12E, GLN51A, GLN94A, GLU102A, GLU13E, GLU1E, GLU96A, GLU9E, HIS89A, LEU100A, LEU7E, LEU99A, LYS101A, LYS5E, LYS95A, LYS97A, MET0E, MET6E, SER50A, SER8E, THR47A, TRP39A, TYR23A, TYR42A, VAL44A
• B-D: ALA31B, GLU13D, LYS29B, THR30B
• B-E: ASN64E, GLN66E, GLU1B, GLU1E, GLY-3B, HIS-1B, MET0B, SER-2B
• B-F: ALA69B, ARG32F, ARG40B, ARG59F, ASN35B, ASN35F, ASN81F, ASP60F, ASP61F, ASP70B, ASP72B, ASP83F, ASP90B, GLN37B, GLN51F, GLN82F, GLU102B, GLU19F, GLU1F, GLY-3F, GLY28B, GLY56F, GLY80F, GLY91B, HIS-1F, HIS89B, LEU36B, LEU58F, LEU88B, LEU92B, LYS29B, LYS78F, MET0F, PHE55B, PRO53F, SER-2F, SER33F, SER54B, SER79F, THR25B, THR27B, THR30B, THR57F, THR68B, THR71B, TRP39B, TYR23B, TYR2F, TYR34F, TYR38B, TYR73B, VAL24B, VAL26B, VAL74B
• B-G: ALA69G, ARG40B, ASP43B, ASP70G, ASP72G, ASP90G, ASP98B, GLN66G, GLN94B, GLU102B, GLU96B, GLY28G, GLY91G, HIS89G, LEU100B, LEU67G, LEU88G, LEU99B, LYS101B, LYS29G, LYS95B, LYS97B, THR25G, THR27G, THR47B, THR68G, THR71G, TYR34G, TYR42B, TYR73G, VAL26G, VAL44B
• C-D: ALA31D, ALA69C, ARG32D, ARG40C, ARG59D, ASN35C, ASN35D, ASN81D, ASP60D, ASP61D, ASP70C, ASP72C, ASP83D, ASP90C, GLN37C, GLN82D, GLU19D, GLU1D, GLY-3D, GLY28C, GLY56D, GLY80D, GLY91C, HIS-1D, HIS89C, LEU36C, LEU58D, LEU88C, LEU92C, LYS29C, LYS78D, MET0D, PHE55C, PRO53D, SER-2D, SER33D, SER79D, THR25C, THR27C, THR30C, THR30D, THR57D, THR68C, THR71C, TRP39C, TYR23C, TYR2D, TYR34D, TYR38C, TYR73C, VAL24C, VAL26C, VAL74C
• C-E: ALA48C, ARG11E, ARG40C, ASP43C, ASP98E, GLN51C, GLN94E, GLU96E, GLU9E, ILE10E, LEU99E, LYS101C, LYS46C, LYS95E, LYS97E, PRO49C, SER50C, SER93E, THR47C, TYR42C, VAL44C
• C-F: ASN81C, ASP83C, CYS77C, CYS84C, GLN82C, GLU19C, GLU1C, GLY80C, LYS78C, SER79C, THR20C, TRP5F, TYR2C, VAL18C
• D-F: ARG11D, ARG40F, ASN16D, ASP14D, ASP98D, GLN12D, GLN37F, GLN51F, GLN94D, GLU13D, GLU96D, GLU9D, ILE10D, ILE15D, LEU41F, LEU99D, LYS101D, LYS95D, PHE55F, PRO53F, SER50F, SER54F, SER93D, TRP39F, TRP52F, TYR38F