2UX9

crystal structure of the t. thermophilus dodecin r65a mutant

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 54
  • Norm. En. per Res.: -4.7285
• 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	0.0	0.0	-8.5823	-8.5823	8	0	0	238	0	4	2
A-C	-69.9752	-1.6205	-179.244	-250.8396	55	6	7	6935	2	17	17
A-E	-46.2597	-16.3896	-116.019	-178.6683	56	5	6	5624	0	27	28
A-F	-67.7946	-4.5954	-179.217	-251.6069	56	7	7	6831	2	16	17
B-D	-68.5224	-6.3027	-180.465	-255.2901	55	7	7	6779	2	17	16
B-E	-69.2464	-3.8843	-181.649	-254.7797	56	7	7	6890	1	17	17
B-F	-54.1906	4.9634	-118.03	-167.2572	56	6	6	5223	1	27	28
C-F	-68.3139	-1.2092	-180.765	-250.2881	54	7	7	6710	2	18	17
D-E	-67.7666	-6.8524	-180.719	-255.3381	54	6	7	6783	2	18	17

Interface residues

• A-B: ARG45A, ARG45B, GLN57A, GLN57B, GLU43A, GLU43B, VAL59A, VAL59B
• A-C: ALA20A, ALA20C, ALA21A, ALA21C, ALA24A, ALA27A, ALA29A, ALA51C, ARG30A, ARG45C, ASP37A, GLN23A, GLN57C, GLU15C, GLU16C, GLU19A, GLU19C, GLU40A, GLU43A, GLU43C, GLU50C, GLU55C, GLU61A, GLY17A, GLY17C, GLY46C, GLY49C, GLY52C, GLY63A, HIS35A, ILE22A, ILE44A, ILE44C, ILE48C, LEU10A, LEU18A, LEU18C, LEU26A, LEU36A, LEU60A, LYS42A, LYS42C, LYS54C, LYS7A, PHE39A, PHE64A, THR47C, TRP38A, TYR56C, VAL41A, VAL41C, VAL53C, VAL58A, VAL58C, VAL62A
• A-E: ALA20A, ALA21A, ALA24A, ALA25A, ALA27A, ALA29A, ALA65E, ARG28A, ARG45A, GLN23A, GLN57A, GLU15A, GLU16A, GLU40E, GLU43A, GLU55A, GLU61A, GLU61E, GLU67E, GLU68E, GLU9A, GLU9E, GLY12A, GLY17A, GLY2E, GLY63E, ILE22A, LEU10A, LEU26A, LEU33A, LEU60A, LEU66E, LYS31A, LYS3E, LYS42A, LYS42E, LYS6A, LYS6E, LYS7A, LYS7E, PHE64A, PHE64E, SER14A, THR13A, THR32A, THR47A, TRP38E, TYR56A, TYR5E, VAL11A, VAL4E, VAL58A, VAL59A, VAL62A, VAL8A, VAL8E
• A-F: ALA20A, ALA20F, ALA21A, ALA21F, ALA24F, ALA27F, ALA29F, ALA51A, ARG30F, ARG45A, ASP37F, GLN23F, GLN57A, GLU15A, GLU16A, GLU19A, GLU19F, GLU40F, GLU43A, GLU43F, GLU50A, GLU55A, GLU61F, GLY17A, GLY17F, GLY46A, GLY49A, GLY52A, GLY63F, HIS35F, ILE22F, ILE44A, ILE44F, ILE48A, LEU10F, LEU18A, LEU18F, LEU26F, LEU36F, LEU60F, LYS42A, LYS42F, LYS54A, LYS7F, PHE39F, PHE64F, SER14A, THR47A, TRP38F, TYR56A, VAL41A, VAL41F, VAL53A, VAL58A, VAL58F, VAL62F
• B-D: ALA20B, ALA20D, ALA21B, ALA21D, ALA24B, ALA27B, ALA29B, ALA51D, ARG30B, ARG45D, ASP37B, GLN23B, GLN57D, GLU15D, GLU16D, GLU19B, GLU19D, GLU40B, GLU43B, GLU43D, GLU50D, GLU55D, GLU61B, GLY17B, GLY17D, GLY46D, GLY49D, GLY52D, GLY63B, HIS35B, ILE22B, ILE44B, ILE44D, ILE48D, LEU10B, LEU18B, LEU18D, LEU26B, LEU36B, LEU60B, LYS42B, LYS42D, LYS54D, LYS7B, PHE39B, PHE64B, THR47D, TRP38B, TYR56D, VAL41B, VAL41D, VAL53D, VAL58B, VAL58D, VAL62B
• B-E: ALA20B, ALA20E, ALA21B, ALA21E, ALA24E, ALA27E, ALA29E, ALA51B, ARG30E, ARG34E, ARG45B, ASP37E, GLN23E, GLN57B, GLU15B, GLU16B, GLU19B, GLU19E, GLU40E, GLU43B, GLU43E, GLU50B, GLU55B, GLU61E, GLY17B, GLY17E, GLY46B, GLY49B, GLY52B, GLY63E, HIS35E, ILE22E, ILE44B, ILE44E, ILE48B, LEU10E, LEU18B, LEU18E, LEU26E, LEU36E, LEU60E, LYS42B, LYS42E, LYS54B, LYS7E, PHE39E, PHE64E, THR47B, TRP38E, TYR56B, VAL41B, VAL41E, VAL53B, VAL58B, VAL58E, VAL62E
• B-F: ALA20B, ALA21B, ALA24B, ALA25B, ALA27B, ALA29B, ALA65F, ARG28B, ARG45B, GLN23B, GLN57B, GLU15B, GLU16B, GLU40F, GLU43B, GLU55B, GLU61B, GLU61F, GLU67F, GLU68F, GLU9B, GLU9F, GLY12B, GLY2F, GLY63F, ILE22B, LEU10B, LEU26B, LEU33B, LEU60B, LEU66F, LYS31B, LYS3F, LYS42B, LYS42F, LYS6B, LYS6F, LYS7B, LYS7F, PHE64B, PHE64F, SER14B, THR13B, THR32B, THR69F, TRP38F, TYR56B, TYR5F, VAL11B, VAL4F, VAL58B, VAL59B, VAL62B, VAL62F, VAL8B, VAL8F
• C-F: ALA20C, ALA20F, ALA21F, ALA24C, ALA27C, ALA29C, ALA51F, ARG30C, ARG45F, ASP37C, GLN23C, GLN57F, GLU15F, GLU16F, GLU19C, GLU19F, GLU40C, GLU43C, GLU43F, GLU50F, GLU55F, GLU61C, GLY17C, GLY17F, GLY46F, GLY49F, GLY52F, GLY63C, HIS35C, ILE22C, ILE44C, ILE44F, ILE48F, LEU10C, LEU18C, LEU18F, LEU26C, LEU36C, LEU60C, LYS42C, LYS42F, LYS54F, LYS7C, PHE39C, PHE64C, THR47F, TRP38C, TYR56F, VAL41C, VAL41F, VAL53F, VAL58C, VAL58F, VAL62C
• D-E: ALA20D, ALA20E, ALA21E, ALA24D, ALA27D, ALA29D, ALA51E, ARG30D, ARG45E, ASP37D, GLN23D, GLN57E, GLU15E, GLU16E, GLU19D, GLU19E, GLU40D, GLU43D, GLU43E, GLU50E, GLU55E, GLU61D, GLY17D, GLY17E, GLY46E, GLY49E, GLY52E, GLY63D, HIS35D, ILE22D, ILE44D, ILE44E, ILE48E, LEU10D, LEU18D, LEU18E, LEU26D, LEU36D, LEU60D, LYS42D, LYS42E, LYS54E, LYS7D, PHE39D, PHE64D, THR47E, TRP38D, TYR56E, VAL41D, VAL41E, VAL53E, VAL58D, VAL58E, VAL62D