3MQ1

crystal structure of dust mite allergen der p 5

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 157
  • Norm. En. per Res.: -2.517
• Hub Node: A(5)

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	-16.664	-5.6412	-308.817	-331.1222	144	35	12	14918	6	61	61
A-C	-8.4101	10.6857	-53.8982	-51.6226	31	5	5	2357	0	13	17
A-D	-3.2831	-36.0421	-13.2796	-52.6047	31	3	0	710	3	25	30
A-E	0.0	0.0	-0.0242	-0.0242	5	0	0	17	0	0	0
A-F	0.0	0.0	-13.4368	-13.4368	19	0	2	701	0	13	14
B-C	0.0	0.0	-3.4732	-3.4732	12	0	0	197	0	0	0
B-D	0.0	0.0973	-52.3731	-52.2758	33	3	4	2275	0	10	14
B-E	0.0	0.9286	-53.891	-52.9624	33	0	5	2087	0	14	16
B-F	0.0	-8.3426	-18.5841	-26.9267	27	2	0	815	0	23	23
C-D	-29.8989	-43.4306	-321.837	-395.1665	157	18	8	15002	7	71	73
E-F	0.0	-5.654	-210.695	-216.349	146	12	9	11315	2	75	81

Interface residues

• A-B: ALA109A, ALA109B, ALA48A, ALA48B, ALA73A, ALA73B, ALA80A, ALA80B, ARG118A, ARG118B, ARG37A, ARG37B, ARG86A, ARG86B, ARG91A, ARG91B, ARG95A, ARG95B, ASN105A, ASN105B, ASN32A, ASN32B, ASP114A, ASP114B, ASP119A, ASP119B, ASP69A, ASP69B, ASP76A, ASP76B, ASP83A, ASP83B, ASP97A, ASP97B, ASP99A, ASP99B, GLN103A, GLN103B, GLN41A, GLN41B, GLN53A, GLN53B, GLN55A, GLN55B, GLU102A, GLU102B, GLU107A, GLU107B, GLU117A, GLU117B, GLU36A, GLU36B, GLU40A, GLU40B, GLU46A, GLU46B, GLU74A, GLU74B, GLY113A, GLY113B, GLY45A, GLY45B, GLY84A, GLY84B, GLY87A, GLY87B, HIS39A, HIS39B, ILE100A, ILE100B, ILE115A, ILE115B, ILE38A, ILE38B, ILE42A, ILE42B, ILE71B, ILE78A, ILE78B, ILE79A, ILE79B, ILE82A, ILE82B, LEU106A, LEU106B, LEU116A, LEU116B, LEU120A, LEU120B, LEU34A, LEU34B, LEU47A, LEU47B, LEU49A, LEU49B, LEU52B, LEU89A, LEU89B, LEU92A, LEU92B, LEU98A, LEU98B, LYS110A, LYS110B, LYS111A, LYS111B, LYS43A, LYS43B, LYS44A, LYS44B, LYS70A, LYS70B, LYS96A, LYS96B, MET108A, MET108B, MET35A, MET35B, MET75A, MET75B, MET81A, MET81B, MET93A, MET93B, PHE101A, PHE101B, PHE50A, PHE50B, SER112A, SER112B, SER33A, SER33B, THR77A, THR77B, TYR104A, TYR104B, TYR51A, TYR51B, VAL72A, VAL72B, VAL85A, VAL85B, VAL88A, VAL88B
• A-C: ALA48A, ASN105C, ASN57A, ASP99C, GLN103C, GLN41A, GLN53A, GLN55A, GLU102C, GLU107C, GLU36A, GLU40A, GLU46A, GLU54A, HIS39A, HIS58A, ILE100C, ILE115C, LEU47A, LEU49A, LEU52A, LEU98C, LYS111C, LYS43A, LYS44A, MET108C, PHE101C, PHE50A, SER33A, TYR104C, TYR51A
• A-D: ARG37A, ARG37D, ASN32D, GLN41A, GLN55A, GLN55D, GLU36D, GLU40A, GLU40D, GLU54A, GLU66A, HIS58A, HIS58D, LEU34A, LEU34D, LEU47A, LEU47D, LYS44A, LYS44D, LYS62A, LYS62D, LYS70A, LYS70D, MET67A, MET67D, SER33A, SER33D, THR64A, THR64D, TYR51A, TYR51D
• A-E: ASN105A, MET108A, MET108E, TYR104A, TYR104E
• A-F: ARG37F, ASN105A, GLN41F, GLU107A, GLU36F, GLU40F, GLU46F, GLY45F, HIS39F, ILE100A, ILE42F, LEU47F, LYS111A, LYS43F, LYS44F, MET108A, PHE101A, PHE50F, TYR104A
• B-C: ASN105B, ASN105C, ILE100B, ILE100C, MET108B, MET108C, MET35B, MET35C, PHE101B, PHE101C, TYR104B, TYR104C
• B-D: ALA48D, ARG37D, ASN105B, ASP99B, GLN103B, GLN41D, GLN53D, GLN55D, GLU102B, GLU107B, GLU36D, GLU40D, GLU46D, GLU54D, GLY45D, HIS39D, HIS58D, ILE100B, ILE115B, ILE42D, LEU47D, LEU49D, LEU52D, LYS111B, LYS43D, LYS44D, MET108B, PHE101B, PHE50D, SER112B, SER33D, TYR104B, TYR51D
• B-E: ALA48B, ARG118E, ARG37B, ASN105E, ASN57B, ASP99E, GLN103E, GLN41B, GLN53B, GLN55B, GLU102E, GLU107E, GLU36B, GLU40B, GLU46B, GLU54B, GLY45B, HIS39B, ILE100E, ILE115E, ILE42B, LEU47B, LEU49B, LEU52B, LYS111E, LYS43B, LYS44B, MET108E, PHE101E, PHE50B, SER33B, TYR104E, TYR51B
• B-F: ARG37B, ARG37F, ASN57B, ASN57F, GLN55B, GLN55F, GLU36F, GLU40B, GLU40F, GLU54B, GLU54F, GLU60F, GLU61B, GLU61F, HIS58B, HIS58F, LEU47F, LEU52F, LYS44B, LYS44F, LYS62B, LYS62F, PHE50F, PHE59B, PHE59F, TYR51B, TYR51F
• C-D: ALA109C, ALA109D, ALA48C, ALA48D, ALA73C, ALA73D, ALA80C, ALA80D, ARG118C, ARG118D, ARG126D, ARG37C, ARG37D, ARG86C, ARG86D, ARG91C, ARG91D, ARG95C, ARG95D, ASN105C, ASN105D, ASN32C, ASN32D, ASP114D, ASP119C, ASP119D, ASP69C, ASP69D, ASP76C, ASP76D, ASP83D, ASP90C, ASP90D, ASP97C, ASP97D, ASP99C, ASP99D, GLN103C, GLN103D, GLN41C, GLN41D, GLN53C, GLN53D, GLN55C, GLN55D, GLU102C, GLU102D, GLU107C, GLU107D, GLU117C, GLU117D, GLU123C, GLU123D, GLU124D, GLU36C, GLU36D, GLU40C, GLU40D, GLU46C, GLU46D, GLU66C, GLU66D, GLU74C, GLU74D, GLY113C, GLY113D, GLY45C, GLY45D, GLY84C, GLY84D, GLY87C, GLY87D, HIS39C, HIS39D, ILE100C, ILE115C, ILE115D, ILE38C, ILE38D, ILE42C, ILE42D, ILE56D, ILE71C, ILE71D, ILE78C, ILE78D, ILE79C, ILE79D, ILE82C, ILE82D, LEU106C, LEU106D, LEU116C, LEU116D, LEU120C, LEU120D, LEU34C, LEU34D, LEU47C, LEU47D, LEU49C, LEU49D, LEU52C, LEU52D, LEU89C, LEU89D, LEU92C, LEU92D, LEU98C, LEU98D, LYS110C, LYS110D, LYS111C, LYS111D, LYS121D, LYS122D, LYS43C, LYS43D, LYS44C, LYS44D, LYS65D, LYS68C, LYS68D, LYS70C, LYS70D, LYS96C, LYS96D, MET108C, MET108D, MET35C, MET35D, MET67C, MET67D, MET75C, MET75D, MET81C, MET81D, MET93C, MET93D, PHE101C, PHE101D, PHE50C, PHE50D, SER112C, SER112D, SER33C, THR77C, THR77D, TYR104C, TYR51C, TYR51D, VAL72C, VAL72D, VAL85C, VAL85D, VAL88C, VAL88D
• E-F: ALA109E, ALA109F, ALA48E, ALA48F, ALA73E, ALA73F, ALA80E, ALA80F, ARG118E, ARG37E, ARG37F, ARG86F, ARG91E, ARG91F, ARG95E, ARG95F, ASN105E, ASN105F, ASN32E, ASP114F, ASP119E, ASP119F, ASP69E, ASP69F, ASP76E, ASP76F, ASP83F, ASP90E, ASP90F, ASP97E, ASP97F, ASP99E, ASP99F, GLN103E, GLN41E, GLN41F, GLN53E, GLN53F, GLN55E, GLN55F, GLU102E, GLU102F, GLU107F, GLU117E, GLU117F, GLU123E, GLU123F, GLU36E, GLU36F, GLU40E, GLU40F, GLU46E, GLU46F, GLU66E, GLU66F, GLU74E, GLU74F, GLY113F, GLY45E, GLY45F, GLY84E, GLY84F, GLY87E, GLY87F, HIS39E, HIS39F, ILE100E, ILE115E, ILE115F, ILE38E, ILE38F, ILE42E, ILE42F, ILE71E, ILE71F, ILE78E, ILE78F, ILE79F, ILE82E, ILE82F, LEU106E, LEU106F, LEU116E, LEU116F, LEU120E, LEU120F, LEU34E, LEU34F, LEU47E, LEU47F, LEU49E, LEU49F, LEU52E, LEU52F, LEU89E, LEU89F, LEU92E, LEU92F, LEU98E, LEU98F, LYS110F, LYS111F, LYS122E, LYS43E, LYS43F, LYS44E, LYS44F, LYS65E, LYS65F, LYS68E, LYS68F, LYS70E, LYS70F, LYS96E, LYS96F, MET108E, MET108F, MET35E, MET35F, MET67E, MET67F, MET75E, MET75F, MET81E, MET81F, MET93E, MET93F, PHE101E, PHE101F, PHE50E, PHE50F, SER112E, SER112F, SER33E, SER33F, THR77E, THR77F, TYR104E, TYR51E, TYR51F, VAL72E, VAL72F, VAL85E, VAL85F, VAL88E, VAL88F