2GUV

conformational transition between four- and five-stranded phenylalanine zippers determined by a local packing interaction

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 104
  • Norm. En. per Res.: -5.4538
• Hub Node: A(4)

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	-72.3704	-113.5898	-367.941	-553.9012	104	11	11	12517	9	17	31
A-C	0.0	0.0	-2.056	-2.056	31	0	0	451	0	2	0
A-D	0.0	0.0	-2.4509	-2.4509	33	0	0	515	0	2	0
A-E	-35.3213	-99.9047	-384.499	-519.7249	102	11	8	13126	3	19	32
B-C	-45.0986	-81.3567	-418.121	-544.5763	103	9	7	13693	4	18	31
B-D	0.0	0.0	-2.1731	-2.1731	34	0	0	487	0	3	0
B-E	0.0	0.0	-1.9899	-1.9899	33	0	0	434	0	2	0
C-D	-70.3333	-104.0999	-392.765	-567.1983	104	15	8	13242	6	18	32
C-E	0.0	0.0	-1.8414	-1.8414	31	0	0	399	0	2	0
D-E	-29.3214	-113.916	-364.488	-507.7254	104	13	7	12667	8	15	29

Interface residues

• A-B: ALA18A, ALA18B, ALA29A, ALA36A, ALA42A, ALA42B, ALA4A, ALA4B, ALA52A, ALA52B, ARG31A, ARG31B, ARG43A, ARG47A, ARG47B, ARG56B, ASN17A, ASN17B, ASN25A, ASN25B, ASN28A, ASN28B, ASN3A, ASN3B, ASN45A, ASN45B, ASN50A, ASN50B, ASP12A, ASP21A, ASP21B, ASP26A, ASP26B, ASP33A, ASP39A, ASP39B, ASP40A, ASP40B, ASP49A, ASP49B, ASP7A, ASP7B, GLN14A, GLN14B, GLN22A, GLN22B, GLN35A, GLN35B, GLN46A, GLN46B, GLN8A, GLN8B, LYS19A, LYS19B, LYS38A, LYS38B, LYS54A, LYS54B, LYS5A, LYS5B, PHE13A, PHE13B, PHE16A, PHE16B, PHE20A, PHE20B, PHE23A, PHE23B, PHE27A, PHE27B, PHE30A, PHE30B, PHE34A, PHE34B, PHE37A, PHE37B, PHE41A, PHE41B, PHE44A, PHE44B, PHE48A, PHE48B, PHE51A, PHE51B, PHE6A, PHE6B, PHE9A, PHE9B, SER10A, SER10B, SER11A, SER11B, SER1A, SER1B, SER24A, SER24B, SER2A, SER2B, SER32A, SER32B, THR15A, THR53B, TYR55A, TYR55B
• A-C: ASN3C, PHE13A, PHE13C, PHE16A, PHE16C, PHE20A, PHE20C, PHE23A, PHE23C, PHE27A, PHE27C, PHE30A, PHE30C, PHE34A, PHE34C, PHE37A, PHE37C, PHE41A, PHE41C, PHE44A, PHE44C, PHE48A, PHE48C, PHE51A, PHE51C, PHE6A, PHE6C, PHE9A, PHE9C, SER1A, SER1C
• A-D: ARG56D, ASN3A, PHE13A, PHE13D, PHE16A, PHE16D, PHE20A, PHE20D, PHE23A, PHE23D, PHE27A, PHE27D, PHE30A, PHE30D, PHE34A, PHE34D, PHE37A, PHE37D, PHE41A, PHE41D, PHE44A, PHE44D, PHE48A, PHE48D, PHE51A, PHE51D, PHE6A, PHE6D, PHE9A, PHE9D, SER1A, SER1D, TYR55A
• A-E: ALA18A, ALA18E, ALA29E, ALA36E, ALA42A, ALA42E, ALA4A, ALA4E, ALA52A, ALA52E, ARG31A, ARG31E, ARG43A, ARG43E, ARG47A, ARG47E, ARG56A, ASN17A, ASN17E, ASN25A, ASN25E, ASN28A, ASN28E, ASN3A, ASN3E, ASN45A, ASN45E, ASN50A, ASN50E, ASP12E, ASP21A, ASP21E, ASP26E, ASP33E, ASP39A, ASP39E, ASP40A, ASP40E, ASP49A, ASP49E, ASP7A, ASP7E, GLN14A, GLN14E, GLN22A, GLN22E, GLN35A, GLN35E, GLN46A, GLN46E, GLN8E, LYS19E, LYS38A, LYS38E, LYS54A, LYS54E, LYS5A, LYS5E, PHE13A, PHE13E, PHE16A, PHE16E, PHE20A, PHE20E, PHE23A, PHE23E, PHE27A, PHE27E, PHE30A, PHE30E, PHE34A, PHE34E, PHE37A, PHE37E, PHE41A, PHE41E, PHE44A, PHE44E, PHE48A, PHE48E, PHE51A, PHE51E, PHE6A, PHE6E, PHE9A, PHE9E, SER10A, SER10E, SER11A, SER11E, SER1A, SER1E, SER24A, SER24E, SER2A, SER2E, SER32A, SER32E, THR15E, THR53A, TYR55A, TYR55E
• B-C: ALA18B, ALA18C, ALA29B, ALA36B, ALA42B, ALA42C, ALA4B, ALA4C, ALA52B, ALA52C, ARG31B, ARG31C, ARG43B, ARG43C, ARG47B, ARG47C, ARG56C, ASN17B, ASN17C, ASN25B, ASN25C, ASN28B, ASN28C, ASN3B, ASN3C, ASN45B, ASN45C, ASN50B, ASN50C, ASP12B, ASP21B, ASP21C, ASP26B, ASP33B, ASP39B, ASP39C, ASP40B, ASP40C, ASP49B, ASP49C, ASP7B, ASP7C, GLN14B, GLN14C, GLN22B, GLN22C, GLN35B, GLN35C, GLN46B, GLN46C, GLN8B, GLN8C, LYS19B, LYS38B, LYS38C, LYS54B, LYS54C, LYS5B, LYS5C, PHE13B, PHE13C, PHE16B, PHE16C, PHE20B, PHE20C, PHE23B, PHE23C, PHE27B, PHE27C, PHE30B, PHE30C, PHE34B, PHE34C, PHE37B, PHE37C, PHE41B, PHE41C, PHE44B, PHE44C, PHE48B, PHE48C, PHE51B, PHE51C, PHE6B, PHE6C, PHE9B, PHE9C, SER10B, SER10C, SER11B, SER11C, SER1B, SER1C, SER24B, SER24C, SER2B, SER2C, SER32B, SER32C, THR15B, THR53C, TYR55B, TYR55C
• B-D: ARG56D, ASN3D, PHE13B, PHE13D, PHE16B, PHE16D, PHE20B, PHE20D, PHE23B, PHE23D, PHE27B, PHE27D, PHE30B, PHE30D, PHE34B, PHE34D, PHE37B, PHE37D, PHE41B, PHE41D, PHE44B, PHE44D, PHE48B, PHE48D, PHE51B, PHE51D, PHE6B, PHE6D, PHE9B, PHE9D, SER1B, SER1D, SER2D, TYR55B
• B-E: ASN3B, PHE13B, PHE13E, PHE16B, PHE16E, PHE20B, PHE20E, PHE23B, PHE23E, PHE27B, PHE27E, PHE30B, PHE30E, PHE34B, PHE34E, PHE37B, PHE37E, PHE41B, PHE41E, PHE44B, PHE44E, PHE48B, PHE48E, PHE51B, PHE51E, PHE6B, PHE6E, PHE9B, PHE9E, SER1B, SER1E, TYR55B, TYR55E
• C-D: ALA18C, ALA18D, ALA29C, ALA36C, ALA42C, ALA42D, ALA4C, ALA4D, ALA52C, ALA52D, ARG31C, ARG31D, ARG43C, ARG43D, ARG47C, ARG47D, ARG56D, ASN17C, ASN17D, ASN25C, ASN25D, ASN28C, ASN28D, ASN3C, ASN3D, ASN45C, ASN45D, ASN50C, ASN50D, ASP12C, ASP12D, ASP21C, ASP21D, ASP26C, ASP33C, ASP39C, ASP39D, ASP40C, ASP40D, ASP49C, ASP49D, ASP7C, ASP7D, GLN14C, GLN14D, GLN22C, GLN22D, GLN35C, GLN35D, GLN46C, GLN46D, GLN8C, GLN8D, LYS19C, LYS19D, LYS38C, LYS38D, LYS54C, LYS5C, LYS5D, PHE13C, PHE13D, PHE16C, PHE16D, PHE20C, PHE20D, PHE23C, PHE23D, PHE27C, PHE27D, PHE30C, PHE30D, PHE34C, PHE34D, PHE37C, PHE37D, PHE41C, PHE41D, PHE44C, PHE44D, PHE48C, PHE48D, PHE51C, PHE51D, PHE6C, PHE6D, PHE9C, PHE9D, SER10C, SER10D, SER11C, SER11D, SER1C, SER1D, SER24C, SER24D, SER2C, SER2D, SER32C, SER32D, THR15C, THR53D, TYR55C, TYR55D
• C-E: PHE13C, PHE13E, PHE16C, PHE16E, PHE20C, PHE20E, PHE23C, PHE23E, PHE27C, PHE27E, PHE30C, PHE30E, PHE34C, PHE34E, PHE37C, PHE37E, PHE41C, PHE41E, PHE44C, PHE44E, PHE48C, PHE48E, PHE51C, PHE51E, PHE6C, PHE6E, PHE9C, PHE9E, SER1C, SER1E, TYR55E
• D-E: ALA18D, ALA18E, ALA29D, ALA36D, ALA42D, ALA42E, ALA4D, ALA4E, ALA52D, ALA52E, ARG31D, ARG31E, ARG43D, ARG47D, ARG47E, ARG56D, ARG56E, ASN17D, ASN17E, ASN25D, ASN25E, ASN28D, ASN28E, ASN3D, ASN3E, ASN45D, ASN45E, ASN50D, ASN50E, ASP12D, ASP21D, ASP21E, ASP26D, ASP26E, ASP33D, ASP39D, ASP39E, ASP40D, ASP40E, ASP49D, ASP49E, ASP7D, ASP7E, GLN14D, GLN14E, GLN22D, GLN22E, GLN35D, GLN35E, GLN46D, GLN46E, GLN8D, GLN8E, LYS19D, LYS38D, LYS38E, LYS54D, LYS54E, LYS5D, LYS5E, PHE13D, PHE13E, PHE16D, PHE16E, PHE20D, PHE20E, PHE23D, PHE23E, PHE27D, PHE27E, PHE30D, PHE30E, PHE34D, PHE34E, PHE37D, PHE37E, PHE41D, PHE41E, PHE44D, PHE44E, PHE48D, PHE48E, PHE51D, PHE51E, PHE6D, PHE6E, PHE9D, PHE9E, SER10D, SER10E, SER11D, SER11E, SER1D, SER1E, SER24D, SER24E, SER2D, SER2E, SER32D, SER32E, THR15D, THR53E, TYR55D, TYR55E