1Q5C

s-s-lambda-shaped trans and cis interactions of cadherins model based on fitting c-cadherin (1l3w) to 3d map of desmosomes obtained by electron tomography

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 8
  • Norm. En. per Res.: -0.3435
• 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	-53.5304	116.1852	4190.85	4253.5048	103	612	1	13516	0	22	30
A-C	0.0	0.0	-2.748	-2.748	8	0	0	201	0	1	1
A-D	0.0	1.3386	1446.67	1448.0086	68	173	0	6526	0	20	19
B-C	-8.6349	162.1913	3148.79	3302.3464	58	457	1	8456	0	18	20
B-D	-109.7604	28.7931	1999.6	1918.6327	58	334	2	7038	1	16	16
C-D	-332.6189	76.5312	10169.0	9912.9123	124	1462	12	34608	1	38	43

Interface residues

• A-B: ALA80A, ALA80B, ASN27A, ASN27B, ASN526A, ASN526B, ASP1A, ASP1A5, ASP1B, ASP29A, ASP29B, ASP506A, CB8.2839521.74417, CB8.89996-2.25870, GLN23A, GLN23B, GLN521B, GLN540A, GLU56B, GLU89A, GLU89B, GLU90A, GLU90B, GLU93A, GLU93B, GLY505A, GLY58B, HIS79A, HIS79B, ILE24A, ILE24B, ILE38A, ILE38B, ILE4A, ILE4B, ILE53A, ILE53B, ILE7A, ILE7B, ILE94A, ILE94B, LEU21A, LEU522B, LEU76A, LEU76B, LYS25A, LYS25B, LYS28A, LYS28B, LYS33B, LYS504A, LYS8A, MET60B, MET92A, MET92B, PRO5A, PRO5B, PRO6A, PRO6B, PRO87A, PRO87B, PRO91A, PRO91B, SER26A, SER26B, SER37A, SER37B, SER508B, SER77A, SER77B, SER78A, SER78B, SER82A, SER82B, SER86A, SER86B, THR39A, THR39B, THR523B, THR528A, THR95A, THR95B, TRP2A, TRP2B, TRP55B, TYR35A, TYR35B, TYR36A, TYR36B, TYR510B, VAL22A, VAL22B, VAL34A, VAL34B, VAL3A, VAL3B, VAL524B, VAL75A, VAL75B, VAL81A, VAL81B, VAL88A, VAL88B
• A-C: ASP1C, ILE4A, LYS8A, PRO5A, PRO6A, TRP2A, TRP2C, VAL3A
• A-D: ALA80A, ARG20A, ARG30D, ASN27A, ASN27D, ASN97A, ASP100A, ASP1A, ASP1D, ASP29A, ASP29D, GLN101A, GLN23A, GLN23D, GLU11A, GLU13A, GLU89A, GLU89D, GLU90D, GLY58A, GLY58D, HIS79A, ILE24A, ILE24D, ILE4A, ILE4D, ILE53A, ILE7A, ILE94A, ILE96A, ILE99A, LEU21A, LEU61A, LEU66A, LYS19A, LYS25A, LYS25D, LYS28A, LYS28D, LYS8A, MET60A, MET92A, MET92D, PHE31D, PRO5A, PRO5D, PRO6A, PRO6D, SER10A, SER26A, SER26D, SER37A, SER78A, THR57A, TRP2A, TRP2D, TRP59A, TRP59D, TYR36A, VAL22A, VAL22D, VAL34A, VAL3A, VAL3D, VAL62A, VAL88D, VAL98A, VAL9A
• B-C: ALA80B, ALA80C, ARG30B, ARG30C, ASN27B, ASN27C, ASN32B, ASN32C, ASN84B, ASP1C, ASP29B, ASP29C, GLN23C, GLU83B, GLU89B, GLU89C, GLU90B, GLU90C, GLY58C, GLY85B, HIS79B, HIS79C, ILE24C, ILE4C, ILE53C, LYS25C, LYS28B, LYS28C, LYS33B, LYS33C, MET92C, PHE31B, PHE31C, PRO87B, PRO91B, SER26B, SER26C, SER37B, SER77B, SER78B, SER78C, SER82B, SER82C, SER86B, THR39B, THR57C, TRP2C, TYR35B, TYR35C, TYR36C, VAL22C, VAL34B, VAL34C, VAL3C, VAL81B, VAL81C, VAL88B, VAL88C
• B-D: ALA80B, ALA80D, ARG30B, ASN27B, ASN27D, ASN32B, ASN84B, ASN97D, ASP1B, ASP1D, ASP29B, GLU83B, GLU89B, GLU89D, GLU90B, GLU90D, GLU93D, GLY40D, GLY85B, HIS79B, HIS79D, ILE4D, ILE7D, ILE94D, ILE96D, LEU76D, LYS25B, LYS28B, LYS28D, LYS33B, LYS73D, MET92B, MET92D, PHE31B, PRO5D, PRO6D, PRO87B, PRO87D, PRO91B, PRO91D, SER26B, SER77D, SER78D, SER82B, SER86B, THR39D, THR95D, TRP2B, TRP2D, TYR35B, TYR36B, TYR74D, VAL34B, VAL3D, VAL75D, VAL81B, VAL88B, VAL88D
• C-D: ALA43D, ALA80C, ALA80D, ARG30C, ARG30D, ARG52D, ARG64D, ARG68D, ASN27C, ASN27D, ASN32C, ASN45D, ASN84C, ASN84D, ASN97D, ASP1C, ASP1D, ASP29C, ASP29D, ASP44D, ASP67D, ASP72D, GLN23C, GLN41D, GLN48D, GLU54D, GLU56D, GLU70D, GLU83C, GLU83D, GLU89C, GLU89D, GLU90C, GLU90D, GLU93C, GLU93D, GLY40D, GLY42D, GLY49D, GLY58D, GLY85C, GLY85D, HIS79C, HIS79D, ILE24C, ILE24D, ILE38C, ILE38D, ILE4C, ILE4D, ILE53D, ILE7D, ILE94C, ILE94D, ILE96D, LEU21D, LEU61D, LEU66D, LEU76C, LEU76D, LYS25C, LYS28C, LYS28D, LYS33C, LYS73C, LYS73D, LYS8D, MET60D, MET92C, MET92D, PHE31C, PHE51D, PRO46D, PRO47D, PRO5C, PRO5D, PRO6C, PRO6D, PRO87C, PRO87D, PRO91C, PRO91D, SER26C, SER26D, SER37C, SER37D, SER77C, SER77D, SER78C, SER78D, SER82C, SER82D, SER86C, SER86D, THR39C, THR39D, THR63D, THR95C, THR95D, TRP2C, TRP55C, TRP55D, TRP59D, TYR35C, TYR35D, TYR36C, TYR36D, TYR71D, TYR74D, VAL22D, VAL34C, VAL34D, VAL3C, VAL3D, VAL50D, VAL62D, VAL75C, VAL75D, VAL81C, VAL81D, VAL88C, VAL88D, VAL98D, VAL9D