3M2M

rat galectin-1 complex with lactose

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 54
  • Norm. En. per Res.: -3.9236
• Hub Node: E(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	-70.6182	-3.3804	-123.852	-197.8505	55	10	8	5181	0	10	16
A-E	0.0	-6.7937	-30.9912	-37.7849	19	2	0	1496	0	8	9
B-F	0.0	-5.9265	-30.8357	-36.7622	19	1	0	1410	0	7	9
C-D	-76.6664	-2.8131	-132.396	-211.8754	54	9	10	5181	0	10	17
C-G	-6.5818	-7.0935	-32.501	-46.1764	21	4	0	1452	0	7	8
D-H	-6.5325	-6.8499	-30.7673	-44.1497	19	2	0	1440	0	8	9
E-F	-79.5625	-3.5882	-134.92	-218.0707	56	10	9	5345	0	10	17
E-G	0.0	7.5412	-13.0159	-5.4747	19	0	0	734	0	7	8
E-H	0.0	-0.1056	-20.9171	-21.0227	28	6	0	1167	1	7	6
G-H	-74.2204	-3.4761	-128.74	-206.4365	55	8	9	5254	0	10	17

Interface residues

• A-B: ALA121A, ALA121B, ALA122A, ALA122B, ALA132A, ALA132B, ALA6A, ALA6B, ARG20A, ARG20B, ASN10A, ASN10B, ASN118A, ASN118B, ASN8A, ASN8B, CYS16B, GLU134A, GLU134B, GLU15A, GLU15B, GLY21A, GLY21B, GLY3A, GLY3B, ILE128A, ILE128B, LEU11A, LEU11B, LEU17A, LEU17B, LEU4A, LEU4B, LEU9A, LEU9B, LYS127A, LYS127B, LYS129A, LYS129B, LYS12A, LYS12B, LYS18A, LYS18B, MET120A, MET120B, PHE133A, PHE133B, SER7A, SER7B, TYR119A, TYR119B, VAL131A, VAL131B, VAL5A, VAL5B
• A-E: ASN39A, ASN39E, ASN40A, ASP37A, ASP64A, ASP64E, ASP65A, ASP65E, GLY66A, GLY66E, GLY69E, LYS63A, LYS63E, SER38A, SER38E, THR67A, THR67E, TRP68A, TRP68E
• B-F: ASN39B, ASN39F, ASN40F, ASP37F, ASP64B, ASP64F, ASP65B, ASP65F, GLY66B, GLY66F, GLY69B, LYS63B, LYS63F, SER38B, SER38F, THR67B, THR67F, TRP68B, TRP68F
• C-D: ALA121C, ALA121D, ALA122C, ALA122D, ALA132C, ALA132D, ALA6C, ALA6D, ARG20C, ARG20D, ASN10C, ASN10D, ASN118C, ASN118D, ASN8C, ASN8D, CYS16C, GLU134C, GLU134D, GLU15C, GLU15D, GLU22D, GLY3C, GLY3D, ILE128C, ILE128D, LEU11C, LEU11D, LEU17C, LEU17D, LEU4C, LEU4D, LEU9C, LEU9D, LYS127C, LYS127D, LYS129C, LYS129D, LYS12C, LYS12D, LYS18C, LYS18D, MET120C, MET120D, PHE133C, PHE133D, SER7C, SER7D, TYR119C, TYR119D, VAL131C, VAL131D, VAL5C, VAL5D
• C-G: ASN39C, ASN39G, ASN40C, ASN40G, ASP37C, ASP37G, ASP64C, ASP64G, ASP65C, ASP65G, GLY66C, GLY66G, GLY69G, LYS63C, LYS63G, SER38C, SER38G, THR67C, THR67G, TRP68C, TRP68G
• D-H: ASN39D, ASN39H, ASN40H, ASP37H, ASP64D, ASP64H, ASP65D, ASP65H, GLY66D, GLY66H, GLY69D, LYS63D, LYS63H, SER38D, SER38H, THR67D, THR67H, TRP68D, TRP68H
• E-F: ALA121E, ALA121F, ALA122E, ALA122F, ALA132E, ALA132F, ALA6E, ALA6F, ARG20E, ARG20F, ASN10E, ASN10F, ASN118E, ASN118F, ASN8E, ASN8F, CYS16E, CYS16F, GLU134E, GLU134F, GLU15E, GLU15F, GLY21E, GLY21F, GLY3E, GLY3F, ILE128E, ILE128F, LEU11E, LEU11F, LEU17E, LEU17F, LEU4E, LEU4F, LEU9E, LEU9F, LYS127E, LYS127F, LYS129E, LYS129F, LYS12E, LYS12F, LYS18E, LYS18F, MET120E, MET120F, PHE133E, PHE133F, SER7E, SER7F, TYR119E, TYR119F, VAL131E, VAL131F, VAL5E, VAL5F
• E-G: ALA24E, ASN10G, ASP26E, CYS16G, GLN80E, GLN93G, GLU134G, GLU15G, GLU22E, GLY14G, GLY82E, ILE84E, LEU11G, LEU23E, LYS12G, PRO13G, PRO25E, PRO81E, SER83E
• E-H: ALA24E, ALA24H, ALA27E, ALA27H, ALA51E, ALA55E, ARG48E, ASN50E, ASN56E, ASP26E, ASP26H, ASP54E, GLU22H, GLY53E, GLY82H, ILE84H, LEU23H, LYS127H, LYS129H, LYS28E, LYS28H, PHE49E, PRO25E, PRO25H, PRO81E, PRO81H, SER83H, THR57E
• G-H: ALA121G, ALA121H, ALA122G, ALA122H, ALA132G, ALA132H, ALA6G, ALA6H, ARG20G, ARG20H, ASN10G, ASN10H, ASN118G, ASN118H, ASN8G, ASN8H, CYS16G, GLU134G, GLU134H, GLU15G, GLU15H, GLY21G, GLY21H, GLY3G, GLY3H, ILE128G, ILE128H, LEU11G, LEU11H, LEU17G, LEU17H, LEU4G, LEU4H, LEU9G, LEU9H, LYS127G, LYS127H, LYS129G, LYS129H, LYS12G, LYS12H, LYS18G, LYS18H, MET120G, MET120H, PHE133G, PHE133H, SER7G, SER7H, TYR119G, TYR119H, VAL131G, VAL131H, VAL5G, VAL5H