3R4K

crystal structure of a putative iclr transcriptional regulator (tm1040_3717) from silicibacter sp. tm1040 at 2.46 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 150
  • Norm. En. per Res.: -4.1395
• 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	-34.776	-65.7891	-520.365	-620.9301	150	15	38	22697	10	39	42
A-C	-25.0427	-5.1971	-77.0808	-107.3206	47	7	4	3430	0	20	12
A-D	0.0	0.0	-0.0133	-0.0133	4	0	0	7	0	0	1
B-D	-24.678	-12.2437	-82.9093	-119.831	50	7	4	3627	0	18	12
C-D	-47.2013	-30.6	-520.215	-598.0164	149	13	38	22621	4	39	41

Interface residues

• A-B: ALA108B, ALA127B, ALA208A, ALA248A, ALA47A, ALA47B, ALA69A, ALA69B, ALA70A, ALA70B, ALA74A, ALA74B, ALA7A, ALA7B, ALA81A, ARG18A, ARG18B, ARG207A, ARG244A, ARG39A, ARG39B, ARG60A, ARG60B, ARG67A, ARG67B, ARG72A, ARG72B, ARG84A, ARG87A, ASN15A, ASN15B, ASP126B, ASP206A, ASP206B, GLN103B, GLN106B, GLN45A, GLN45B, GLN52A, GLN52B, GLN64A, GLN64B, GLU105B, GLU125B, GLU128B, GLU20A, GLU20B, GLU243A, GLU43A, GLU43B, GLU46A, GLU46B, GLU51A, GLU51B, GLU54A, GLU54B, GLU73A, GLU73B, GLY104B, GLY17A, GLY17B, GLY204A, GLY246A, GLY247A, GLY2A, GLY2B, GLY48A, GLY48B, GLY62A, GLY62B, HIS16A, HIS16B, ILE21A, ILE21B, ILE245A, ILE245B, ILE78A, ILE78B, LEU101B, LEU102B, LEU107B, LEU10A, LEU10B, LEU110B, LEU11A, LEU11B, LEU19A, LEU19B, LEU210B, LEU241A, LEU40A, LEU40B, LEU44A, LEU44B, LEU61A, LEU61B, LEU66A, LEU66B, LEU68A, LEU68B, LEU71A, LEU71B, LEU79B, LEU8A, LEU8B, LEU99B, LYS6A, LYS6B, PHE14A, PHE14B, PHE49A, PHE49B, PRO205A, PRO205B, PRO63A, PRO63B, PRO77A, PRO77B, SER109B, SER111B, SER240A, SER42A, SER42B, SER5A, SER5B, SER75A, SER75B, SER80A, SER80B, THR12A, THR12B, THR242A, THR3A, THR3B, THR9A, THR9B, TYR13A, TYR13B, TYR59A, VAL129B, VAL4A, VAL4B, VAL50A, VAL50B, VAL53A, VAL53B, VAL65A, VAL65B, VAL76A, VAL76B
• A-C: ALA119A, ALA119C, ALA193A, ALA193C, ALA216A, ALA216C, ALA217A, ALA217C, ARG117A, ARG117C, ARG161A, ARG161C, ARG221A, ARG221C, ASN118A, ASN118C, GLU128C, GLU192A, GLU192C, GLU194A, GLU194C, GLU95A, GLU95C, HIS196A, HIS196C, LYS121A, LYS121C, PHE191A, PHE191C, PRO218A, PRO218C, SER116A, SER116C, SER220A, SER220C, THR120A, THR120C, THR219A, THR219C, THR96A, THR96C, TYR114A, TYR114C, VAL122A, VAL122C, VAL195A, VAL195C
• A-D: ALA127A, ALA127D, GLN103D, GLU125A
• B-D: ALA119B, ALA119D, ALA193B, ALA193D, ALA216B, ALA216D, ALA217B, ALA217D, ARG117B, ARG117D, ARG161B, ARG161D, ARG221B, ARG221D, ASN118B, ASN118D, GLU125B, GLU192B, GLU192D, GLU194B, GLU194D, GLU95B, GLU95D, GLY189B, GLY189D, HIS196B, HIS196D, LYS121B, LYS121D, PHE191B, PHE191D, PRO218B, PRO218D, SER116B, SER116D, SER220B, SER220D, THR120B, THR120D, THR162B, THR219B, THR219D, THR96B, THR96D, TYR114B, TYR114D, VAL122B, VAL122D, VAL195B, VAL195D
• C-D: ALA108C, ALA127C, ALA248D, ALA47C, ALA47D, ALA69C, ALA69D, ALA70C, ALA70D, ALA74C, ALA74D, ALA7C, ALA7D, ALA81D, ARG18C, ARG18D, ARG207D, ARG244D, ARG39C, ARG39D, ARG60C, ARG60D, ARG67C, ARG67D, ARG72C, ARG72D, ARG83C, ARG84D, ASN15C, ASN15D, ASP126C, ASP206C, ASP206D, GLN103C, GLN106C, GLN45C, GLN45D, GLN52D, GLN64C, GLN64D, GLU105C, GLU125C, GLU128C, GLU20C, GLU20D, GLU243D, GLU43C, GLU43D, GLU46C, GLU46D, GLU51C, GLU51D, GLU54C, GLU54D, GLU73C, GLU73D, GLY104C, GLY17C, GLY17D, GLY204C, GLY204D, GLY246D, GLY247D, GLY2C, GLY2D, GLY48C, GLY48D, GLY62C, GLY62D, HIS16C, HIS16D, ILE21C, ILE21D, ILE245D, ILE78C, ILE78D, LEU101C, LEU102C, LEU107C, LEU10C, LEU10D, LEU110C, LEU11C, LEU11D, LEU19C, LEU19D, LEU210C, LEU241D, LEU40C, LEU40D, LEU44C, LEU44D, LEU61C, LEU61D, LEU66C, LEU66D, LEU68C, LEU68D, LEU71C, LEU71D, LEU79C, LEU8C, LEU8D, LEU99C, LYS6C, LYS6D, PHE14C, PHE14D, PHE49C, PHE49D, PRO205C, PRO205D, PRO63C, PRO63D, PRO77C, PRO77D, SER109C, SER111C, SER240D, SER42C, SER42D, SER5C, SER5D, SER75C, SER75D, SER80C, SER80D, THR12C, THR12D, THR242D, THR36D, THR3C, THR3D, THR9C, THR9D, TYR13C, TYR13D, TYR59C, VAL129C, VAL4C, VAL4D, VAL50C, VAL50D, VAL53C, VAL53D, VAL65C, VAL65D, VAL76C, VAL76D