3KIH

the crystal structures of two fragments truncated from 5-bladed - propeller lectin, tachylectin-2 (lib2-d2-15)

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 115
  • Norm. En. per Res.: -5.2212
• 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	-25.0147	7.8296	-182.091	-199.2761	56	5	4	6532	0	9	8
A-C	-38.1242	2.5154	-124.043	-159.6519	50	11	4	5521	0	4	5
A-E	0.0	0.0	-24.6411	-24.6411	16	1	0	1045	0	1	1
B-C	-17.7638	3.0097	-165.744	-180.4981	55	4	4	6428	0	3	6
B-E	-10.188	2.2949	-46.1036	-53.9967	24	4	0	1473	0	6	5
C-D	-41.273	6.1196	-183.552	-218.7053	59	8	4	6896	0	8	7
C-E	-114.4586	-11.5683	-474.407	-600.4339	115	29	12	17168	2	17	18
D-E	-15.8668	-0.6214	-167.51	-183.9982	54	8	5	6426	0	6	6

Interface residues

• A-B: ALA67A, ARG42B, ASN36B, ASN38B, ASN62A, ASN6B, ASP35B, ASP37B, ASP60A, ASP71A, GLN53A, GLN55A, GLU17B, GLU92A, GLY15B, GLY16B, GLY20B, GLY3B, GLY94A, HIS34B, ILE93A, LEU10B, LEU12B, LEU18B, LEU57A, LEU65A, LEU73A, LYS70A, LYS72A, LYS75A, LYS8B, PHE11B, PHE54A, PHE56A, PHE58A, PHE59A, PHE7B, PHE9B, PRO14B, PRO31B, PRO32B, PRO61A, PRO61B, SER13B, SER5B, SER69A, THR33B, THR91A, TRP39B, TRP4B, TYR19B, TYR64A, TYR66A, TYR74A, VAL21B, VAL68A
• A-C: ASN23C, ASN6A, ASN6C, ASP24C, GLU17A, GLU17C, GLY15A, GLY15C, GLY16A, GLY16C, GLY20A, GLY20C, GLY3A, HIS34A, ILE26C, LEU10A, LEU10C, LEU12A, LEU12C, LEU18A, LEU18C, LEU22A, LEU22C, LYS25C, LYS28C, LYS8A, LYS8C, PHE11A, PHE11C, PHE7A, PHE7C, PHE9A, PHE9C, PRO14A, PRO14C, PRO31A, PRO32A, PRO61A, SER13A, SER13C, SER5A, THR30A, THR33A, TRP39A, TRP4A, TYR19A, TYR19C, TYR27C, VAL21A, VAL21C
• A-E: ARG42A, ASN38A, ASP37A, GLU92E, GLY3A, GLY94E, HIS34A, ILE93E, LEU18A, LEU40A, PRO31A, PRO32A, THR33A, THR91E, TRP39A, TRP4A
• B-C: ALA67B, ALA76B, ALA90B, ASN62B, ASN6C, ASP37C, ASP60B, ASP71B, GLN53B, GLN55B, GLU17C, GLU92B, GLY15C, GLY16C, GLY20C, GLY3C, GLY94B, GLY96B, HIS34C, ILE93B, LEU10C, LEU12C, LEU18C, LEU57B, LEU65B, LEU73B, LYS70B, LYS72B, LYS75B, LYS8C, PHE11C, PHE54B, PHE56B, PHE58B, PHE59B, PHE7C, PHE9C, PRO14C, PRO31C, PRO32C, PRO61B, PRO77B, SER13C, SER5C, SER69B, SER95B, THR33C, THR91B, TRP4C, TYR19C, TYR64B, TYR66B, TYR74B, VAL21C, VAL68B
• B-E: ASN85E, ASP71B, ASP82E, ASP84E, GLN80E, GLU17E, GLU92B, GLY94B, GLY96B, GLY97B, ILE46E, ILE93B, LEU73B, LYS28E, LYS44E, LYS45E, LYS72B, PRO78E, PRO79E, SER81E, SER95B, THR83E, TRP86E, TYR19E
• C-D: ALA67C, ARG42D, ASN36D, ASN38D, ASN62C, ASN6D, ASP35D, ASP37D, ASP60C, ASP71C, GLN53C, GLN55C, GLU17D, GLU92C, GLY15D, GLY16D, GLY20D, GLY3D, GLY41D, GLY63C, GLY94C, HIS34D, ILE93C, LEU10D, LEU12D, LEU18D, LEU40D, LEU57C, LEU65C, LEU73C, LYS70C, LYS72C, LYS75C, LYS8D, PHE11D, PHE54C, PHE56C, PHE58C, PHE59C, PHE7D, PHE9D, PRO14D, PRO31D, PRO32D, PRO61C, SER13D, SER5D, SER69C, SER95C, THR33D, THR91C, TRP39D, TRP4D, TYR19D, TYR64C, TYR66C, TYR74C, VAL21D, VAL68C
• C-E: ALA43C, ALA67C, ALA67E, ALA76E, ALA88E, ALA90E, ARG42C, ARG89E, ASN23C, ASN38C, ASN52C, ASN52E, ASN62C, ASN62E, ASN6C, ASN85E, ASP24C, ASP24E, ASP37C, ASP48C, ASP48E, ASP60C, ASP60E, ASP71E, ASP82C, ASP82E, ASP84E, GLN53C, GLN53E, GLN55C, GLN55E, GLN80C, GLN80E, GLU17C, GLU92E, GLY20C, GLY29C, GLY3C, GLY41C, GLY47C, GLY47E, GLY49C, GLY49E, GLY50C, GLY50E, GLY63C, GLY94E, HIS34C, ILE26C, ILE26E, ILE46C, ILE46E, ILE87E, ILE93E, LEU10C, LEU12C, LEU18C, LEU22C, LEU40C, LEU57C, LEU57E, LEU65C, LEU65E, LEU73E, LYS25C, LYS28C, LYS44C, LYS45C, LYS70E, LYS72E, LYS75E, PHE11C, PHE54C, PHE54E, PHE56C, PHE56E, PHE58C, PHE58E, PHE59C, PHE59E, PHE7C, PRO14E, PRO31C, PRO32C, PRO61C, PRO61E, PRO77E, PRO78C, PRO78E, PRO79C, PRO79E, SER5C, SER69E, SER81C, SER81E, THR30C, THR33C, THR83E, THR91E, TRP39C, TRP4C, TRP51C, TRP51E, TRP86C, TRP86E, TYR19C, TYR27C, TYR64C, TYR64E, TYR66C, TYR66E, TYR74E, VAL21C, VAL68C, VAL68E
• D-E: ALA67D, ARG42E, ASN38E, ASN62D, ASN6E, ASP37E, ASP60D, ASP71D, GLN53D, GLN55D, GLU17E, GLU92D, GLY15E, GLY16E, GLY3E, GLY63D, HIS34E, ILE93D, LEU10E, LEU12E, LEU18E, LEU57D, LEU65D, LEU73D, LYS70D, LYS72D, LYS75D, LYS8E, PHE11E, PHE54D, PHE56D, PHE58D, PHE59D, PHE7E, PHE9E, PRO14D, PRO14E, PRO31E, PRO32E, PRO61D, SER13E, SER5E, SER69D, THR30E, THR33E, THR91D, TRP39E, TRP4E, TYR19E, TYR64D, TYR66D, TYR74D, VAL21E, VAL68D