2CFH

structure of the bet3-tpc6b core of trapp

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 104
  • Norm. En. per Res.: -4.2755
• Hub Node: A(2)

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	-29.7663	-62.9155	-101.036	-193.7179	76	7	0	4669	8	50	53
A-C	-36.1564	-64.9485	-309.271	-410.3758	100	12	17	14090	4	22	18
B-D	-45.5139	-57.4047	-341.733	-444.6516	104	12	19	14606	5	24	17

Interface residues

• A-B: ALA145A, ALA145B, ALA148A, ALA148B, ALA99A, ALA99B, ARG136A, ARG136B, ARG164A, ARG166A, ARG166B, ARG169A, ARG169B, ARG170A, ARG170B, ARG54A, ARG54B, ARG72A, ASN129A, ASN174B, ASN36B, ASN41B, ASN50A, ASN50B, ASP101A, ASP101B, ASP173B, ASP37B, ASP39B, ASP45A, ASP45B, ASP70A, CYS132A, GLU102A, GLU102B, GLU140A, GLU140B, GLU147A, GLU147B, GLU172A, GLU172B, GLU38A, GLU38B, GLY100A, GLY133A, GLY137A, GLY137B, ILE126B, ILE168A, ILE168B, ILE171A, ILE171B, ILE51A, LEU175A, LEU175B, LYS149A, LYS149B, LYS42A, LYS42B, LYS46A, LYS46B, MET141A, MET141B, PHE167A, PHE167B, PHE49A, PHE49B, PHE71A, PRO98A, SER124A, SER124B, SER97A, VAL146A, VAL146B, VAL53A, VAL53B
• A-C: ALA25A, ALA2C, ALA5C, ALA82A, ARG31C, ARG42C, ARG50C, ARG54A, ARG62A, ASN12C, ASN38C, ASN50A, ASP114A, ASP33A, ASP3C, ASP58A, CYS31A, GLN104C, GLN29A, GLN43A, GLN45C, GLU13C, GLU17A, GLU37C, GLU49C, GLU4C, GLU57A, GLY17C, GLY24A, GLY40C, GLY44C, GLY46C, GLY48A, GLY52A, GLY88A, HIS11C, ILE48C, ILE51A, ILE56A, ILE89A, LEU101C, LEU10C, LEU112A, LEU125C, LEU130A, LEU131A, LEU18A, LEU21A, LEU26A, LEU30A, LEU36C, LEU44A, LEU47C, LEU55A, LEU6C, LEU87A, LEU8C, LEU9C, LYS32A, LYS35C, LYS46A, LYS78C, LYS84A, MET14C, MET39C, MET47A, MET85A, PHE121C, PHE19A, PHE41C, PHE49A, PHE51C, PHE59A, PHE72C, PHE77C, PHE7C, PHE83A, PRO111A, SER15A, SER16A, SER16C, THR20A, THR22A, THR28A, THR34C, THR74C, THR75C, TYR111C, TYR118C, TYR19C, TYR23A, TYR34A, TYR86A, VAL134A, VAL15C, VAL18C, VAL27A, VAL43C, VAL53A, VAL76C
• B-D: ALA25B, ALA2D, ALA5D, ALA82B, ARG31D, ARG42D, ARG50D, ARG54B, ARG62B, ASN12D, ASN38D, ASN50B, ASP114B, ASP33B, ASP3D, ASP58B, CYS31B, GLN104D, GLN29B, GLN43B, GLN45D, GLU13D, GLU17B, GLU37D, GLU49D, GLU4D, GLU57B, GLY17D, GLY24B, GLY40D, GLY44D, GLY46D, GLY48B, GLY52B, GLY88B, HIS11D, ILE48D, ILE51B, ILE56B, ILE89B, LEU101D, LEU10D, LEU112B, LEU125D, LEU130B, LEU131B, LEU18B, LEU21B, LEU26B, LEU30B, LEU36D, LEU44B, LEU47D, LEU55B, LEU6D, LEU87B, LEU8D, LEU9D, LYS32B, LYS35D, LYS46B, LYS78D, LYS84B, MET105D, MET14D, MET39D, MET47B, MET85B, PHE121D, PHE19B, PHE41D, PHE49B, PHE51D, PHE59B, PHE72D, PHE77D, PHE7D, PHE83B, PRO111B, SER15B, SER16B, SER16D, THR103D, THR122D, THR20B, THR22B, THR28B, THR34D, THR74D, THR75D, TRP73D, TYR111D, TYR118D, TYR19D, TYR23B, TYR34B, TYR86B, VAL134B, VAL15D, VAL18D, VAL27B, VAL43D, VAL53B, VAL76D