2DEV

crystal structure of tt0972 protein from thermus thermophilus with cs(+) ions

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 55
  • Norm. En. per Res.: -5.1751
• 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	-42.4229	-1.3038	-173.939	-217.6656	57	6	7	6740	2	18	17
A-C	-64.1228	-15.6527	-184.758	-264.5335	54	8	7	6806	3	19	18
A-E	0.0	0.0	-5.8552	-5.8552	6	0	0	183	0	6	4
A-F	-70.4288	-11.7538	-137.903	-220.0856	57	8	6	6009	5	30	30
B-C	-70.2608	-29.0297	-185.338	-284.6286	55	8	7	6812	3	17	17
B-E	-48.5211	-1.092	-134.866	-184.4792	57	6	6	5990	4	30	30
D-E	-69.1079	-12.3166	-184.3	-265.7246	54	10	7	6866	1	19	17
D-F	-78.0557	8.8661	-170.287	-239.4766	53	8	7	6379	0	18	17
E-F	-48.8093	-18.0982	-170.835	-237.7425	55	5	7	6652	2	17	16

Interface residues

• A-B: ALA20A, ALA20B, ALA21A, ALA21B, ALA24B, ALA27B, ALA29B, ALA51A, ARG30B, ARG45A, ASP37B, GLN23B, GLN57A, GLU15A, GLU16A, GLU19A, GLU19B, GLU40B, GLU43A, GLU43B, GLU50A, GLU55A, GLU61B, GLY17A, GLY17B, GLY46A, GLY49A, GLY52A, GLY63B, HIS35B, ILE22B, ILE44A, ILE44B, ILE48A, LEU10B, LEU18A, LEU18B, LEU26B, LEU33B, LEU36B, LEU60B, LYS42A, LYS42B, LYS54A, LYS7B, PHE39B, PHE64B, SER14A, THR47A, TRP38B, TYR56A, VAL41A, VAL41B, VAL53A, VAL58A, VAL58B, VAL62B
• A-C: ALA20A, ALA20C, ALA21A, ALA21C, ALA24A, ALA27A, ALA29A, ALA51C, ARG30A, ARG45C, ASP37A, GLN23A, GLN57C, GLU15C, GLU16C, GLU19A, GLU19C, GLU40A, 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: ARG45A, ARG45E, GLU43A, GLU43E, VAL59A, VAL59E
• A-F: ALA20A, ALA21A, ALA24A, ALA25A, ALA27A, ALA29A, ARG28A, ARG45A, ARG65F, GLN23A, GLN57A, GLU15A, GLU16A, GLU40F, GLU43A, GLU55A, GLU61A, GLU61F, GLU67F, GLU68F, GLU9A, GLU9F, GLY12A, GLY2F, GLY63F, ILE22A, LEU10A, LEU26A, LEU33A, LEU60A, LEU66F, LYS31A, LYS3F, LYS42A, LYS42F, LYS54A, LYS6A, LYS6F, LYS7A, LYS7F, PHE64A, PHE64F, SER14A, THR13A, THR32A, THR47A, TRP38F, TYR56A, TYR5F, VAL11A, VAL4F, VAL58A, VAL59A, VAL62A, VAL62F, VAL8A, VAL8F
• B-C: ALA20B, ALA20C, ALA21B, ALA24C, ALA27C, ALA29C, ALA51B, ARG30C, ARG45B, ASP37C, GLN23C, GLN57B, GLU15B, GLU16B, GLU19B, GLU19C, GLU40C, GLU43B, GLU43C, GLU50B, GLU55B, GLU61C, GLY17B, GLY17C, GLY46B, GLY49B, GLY52B, GLY63C, HIS35C, ILE22C, ILE44B, ILE44C, ILE48B, LEU10C, LEU18B, LEU18C, LEU26C, LEU33C, LEU36C, LEU60C, LYS42B, LYS42C, LYS54B, LYS7C, PHE39C, PHE64C, THR47B, TRP38C, TYR56B, VAL41B, VAL41C, VAL53B, VAL58B, VAL58C, VAL62C
• B-E: ALA20E, ALA21E, ALA24E, ALA25E, ALA27E, ALA29E, ARG28E, ARG45E, ARG65B, GLN23E, GLN57E, GLU15E, GLU16E, GLU40B, GLU43E, GLU55E, GLU61B, GLU61E, GLU67B, GLU68B, GLU9B, GLU9E, GLY12E, GLY2B, GLY63B, ILE22E, LEU10E, LEU26E, LEU33E, LEU60E, LEU66B, LYS31E, LYS3B, LYS42B, LYS42E, LYS54E, LYS6B, LYS6E, LYS7B, LYS7E, PHE64B, PHE64E, SER14E, THR13E, THR32E, THR47E, THR69B, TRP38B, TYR56E, TYR5B, VAL11E, VAL4B, VAL58E, VAL59E, VAL62B, VAL8B, VAL8E
• D-E: ALA20D, ALA20E, ALA21D, ALA24E, ALA27E, ALA29E, ALA51D, ARG30E, ARG45D, ASP37E, GLN23E, GLN57D, GLU15D, GLU16D, GLU19D, GLU19E, GLU40E, GLU43D, GLU43E, GLU50D, GLU55D, GLU61E, GLY17D, GLY17E, GLY46D, GLY49D, GLY52D, GLY63E, HIS35E, ILE22E, ILE44D, ILE44E, ILE48D, LEU10E, LEU18D, LEU18E, LEU26E, LEU36E, LEU60E, LYS42D, LYS42E, LYS54D, LYS7E, PHE39E, PHE64E, THR47D, TRP38E, TYR56D, VAL41D, VAL41E, VAL53D, VAL58D, VAL58E, VAL62E
• D-F: ALA20D, ALA20F, ALA21F, ALA24D, ALA27D, ALA29D, ALA51F, ARG30D, ARG45F, ASP37D, GLN23D, GLN57F, GLU15F, GLU16F, GLU19D, GLU19F, GLU40D, GLU43D, GLU43F, GLU50F, GLU55F, GLU61D, GLY17D, GLY17F, GLY46F, GLY49F, GLY52F, GLY63D, HIS35D, ILE22D, ILE44D, ILE44F, ILE48F, LEU10D, LEU18D, LEU18F, LEU26D, LEU36D, LEU60D, LYS42D, LYS42F, LYS54F, PHE39D, PHE64D, THR47F, TRP38D, TYR56F, VAL41D, VAL41F, VAL53F, VAL58D, VAL58F, VAL62D
• E-F: ALA20E, ALA20F, ALA21E, ALA24F, ALA27F, ALA29F, ALA51E, ARG30F, ARG45E, ASP37F, GLN23F, GLN57E, GLU15E, GLU16E, GLU19E, GLU19F, GLU40F, GLU43E, GLU43F, GLU50E, GLU55E, GLU61F, GLY17E, GLY17F, GLY46E, GLY49E, GLY52E, GLY63F, HIS35F, ILE22F, ILE44E, ILE44F, ILE48E, LEU10F, LEU18E, LEU18F, LEU26F, LEU33F, LEU36F, LEU60F, LYS42E, LYS42F, LYS54E, LYS7F, PHE39F, PHE64F, THR47E, TRP38F, TYR56E, VAL41E, VAL41F, VAL53E, VAL58E, VAL58F, VAL62F