2DS2

crystal structure of mabinlin ii

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 38
  • Norm. En. per Res.: -4.0422
• 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	-34.75	7.0018	1155.58	1127.8319	79	19	17	13018	0	6	26
A-D	0.0	0.0	-1.0857	-1.0857	7	0	0	119	0	0	1
B-C	0.0	0.0	-0.3834	-0.3834	6	0	0	73	0	0	1
B-D	-25.5518	0.0	-128.053	-153.6048	38	9	2	4823	0	0	4
C-D	-37.1137	29.193	1218.35	1210.4293	82	23	17	14162	1	6	31

Interface residues

• A-B: ALA17A, ALA26A, ALA29B, ALA30B, ALA51B, ALA52B, ALA6B, ARG14A, ARG15B, ARG16A, ARG19B, ARG20A, ARG24A, ARG25A, ARG27B, ARG36B, ARG46B, ARG47B, ARG4A, ARG53B, ARG7A, ARG8B, ASN12B, ASN54B, ASP18B, ASP50B, CYS10B, CYS11B, CYS18A, CYS21B, CYS23B, CYS59B, CYS5A, GLN11A, GLN13A, GLN13B, GLN16B, GLN19A, GLN27A, GLN28B, GLN31B, GLN32B, GLN35B, GLN37B, GLN40B, GLN43B, GLN44B, GLN6A, GLN8A, GLN9B, GLY29A, GLY41B, HIS12A, HIS23A, ILE22A, ILE38B, ILE39B, ILE58B, LEU10A, LEU14B, LEU15A, LEU26B, LEU34B, LEU45B, LEU48B, LEU55B, LEU7B, PHE21A, PHE28A, PHE49B, PHE69B, PHE9A, PRO20B, PRO24B, PRO5B, VAL17B, VAL22B, VAL25B, VAL33B
• A-D: ARG14A, GLN40D, GLY41D, HIS23A, ILE38D, LEU10A, PRO42D
• B-C: ARG14C, GLN40B, GLY41B, HIS23C, ILE38B, PRO42B
• B-D: ALA30D, ALA71B, ALA71D, ARG36B, ARG36D, ARG46B, ARG46D, GLN31B, GLN31D, GLN32B, GLN32D, GLN35B, GLN35D, GLN37B, GLN37D, GLN40B, GLN40D, GLN43B, GLN44B, GLN44D, GLY41B, GLY41D, ILE38B, ILE38D, ILE39B, ILE39D, LEU34B, LEU34D, LEU45B, LEU45D, LEU48B, LEU48D, PHE49B, PHE49D, PRO42B, PRO42D, VAL33B, VAL33D
• C-D: ALA17C, ALA26C, ALA29D, ALA30D, ALA51D, ALA52D, ALA6D, ARG14C, ARG15D, ARG16C, ARG19D, ARG20C, ARG24C, ARG25C, ARG27D, ARG36D, ARG46D, ARG47D, ARG4C, ARG4D, ARG53D, ARG7C, ARG8D, ASN12D, ASN54D, ASP18D, ASP50D, CYS10D, CYS11D, CYS18C, CYS21D, CYS23D, CYS59D, CYS5C, GLN11C, GLN13C, GLN13D, GLN16D, GLN19C, GLN27C, GLN28D, GLN31D, GLN32D, GLN35D, GLN37D, GLN40D, GLN43D, GLN44D, GLN6C, GLN8C, GLN9D, GLY29C, GLY41D, HIS12C, HIS23C, ILE22C, ILE38D, ILE39D, ILE58D, LEU10C, LEU14D, LEU15C, LEU26D, LEU2C, LEU34D, LEU45D, LEU48D, LEU55D, LEU7D, PHE21C, PHE28C, PHE49D, PHE69D, PHE9C, PRO20D, PRO24D, PRO5D, TRP3C, VAL17D, VAL22D, VAL25D, VAL33D