3MLQ

crystal structure of the thermus thermophilus transcription-repair coupling factor rna polymerase interacting domain with the thermus aquaticus rna polymerase beta1 domain

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 48
  • Norm. En. per Res.: -4.5868
• Hub Node: A(5)

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	-21.8862	21.8586	-195.759	-195.7866	76	10	2	7629	2	37	43
A-C	0.0	0.0	-0.0047	-0.0047	2	0	0	5	0	0	1
A-E	-56.1826	-36.1946	-127.789	-220.1662	48	18	7	5794	2	24	22
A-F	-22.1749	-27.9826	-31.3228	-81.4803	31	12	0	1994	2	11	10
A-H	0.0	-21.834	-24.1995	-46.0335	23	0	0	1143	2	3	11
B-C	0.0	0.0	-0.0011	-0.0011	2	0	0	3	0	3	0
B-D	-7.5882	34.7238	-57.6315	-30.4959	45	6	0	2741	0	16	20
B-E	-2.3469	-25.0182	-25.0637	-52.4289	29	1	0	1478	2	14	10
B-F	-46.8809	-4.4464	-85.1264	-136.4537	38	9	3	3470	0	15	13
C-D	-21.8812	0.0588	-135.679	-157.5014	73	34	2	7473	8	36	39
C-F	0.0	0.0	-19.4993	-19.4993	20	3	0	810	0	1	0
C-G	-55.9703	-28.1956	-75.1785	-159.3444	50	10	5	4987	1	24	18
C-H	-11.4364	-42.2707	-24.7435	-78.4506	29	4	0	1387	3	9	11
D-G	-6.1262	-43.112	-25.8583	-75.0965	33	1	0	1583	3	13	12
D-H	-23.9893	-21.703	-123.945	-169.6373	56	9	5	5767	0	31	27

Interface residues

• A-B: ALA32A, ALA32B, ALA370A, ALA92A, ALA92B, ALA96A, ALA96B, ARG39A, ARG39B, ARG72A, ARG72B, ARG84B, ARG97A, ARG97B, ASN130A, ASN130B, ASP111A, ASP111B, ASP33A, ASP75A, ASP75B, ASP87A, ASP87B, CYS83A, CYS83B, GLN91A, GLN91B, GLU110A, GLU110B, GLU112A, GLU112B, GLU37A, GLU70A, GLU70B, GLU82A, GLU82B, GLU85A, GLU85B, GLY131A, GLY131B, GLY74A, GLY74B, HIS117A, HIS117B, ILE73A, ILE73B, LEU69B, LEU88A, LEU88B, LEU94A, LEU94B, LYS86A, LYS86B, PHE114A, PHE114B, PHE78A, PHE78B, PRO35A, PRO36A, PRO36B, PRO76A, PRO76B, PRO77A, PRO77B, PRO93A, PRO93B, SER79A, SER79B, THR89A, THR89B, TYR71A, TYR71B, TYR95A, TYR95B, VAL113A, VAL113B
• A-C: ARG350A, ARG388C
• A-E: ALA370A, ARG341E, ARG348E, ARG354E, ARG97A, ASP104A, ASP111A, ASP67A, GLN367E, GLN99A, GLU110A, GLU112A, GLU339E, GLU342E, GLU358E, GLU366E, GLU55A, GLY106A, GLY345E, GLY359E, GLY62A, HIS102A, ILE101A, ILE108A, LEU100A, LEU107A, LEU344E, LEU351E, LEU353E, LEU361E, LEU363E, LEU368E, LEU69A, LEU98A, LYS103A, LYS109A, LYS360E, PRO364E, PRO369A, PRO369E, THR105A, THR368A, TYR350E, TYR355E, TYR362E, VAL343E, VAL352E, VAL65A
• A-F: ALA132A, ARG134A, ARG354F, ARG388A, ARG84A, ASN130A, ASP133A, ASP87A, CYS83A, GLN334F, GLN390A, GLU358F, GLU85A, GLY131A, GLY333F, GLY357F, GLY359F, ILE128A, ILE129A, LEU336F, LEU391A, LEU88A, LYS356F, LYS360F, LYS86A, PHE386A, SER387A, SER389A, SER392A, TYR355F, VAL135A
• A-H: ARG353A, ARG358A, ARG373H, ARG376A, ASN374A, GLU357A, GLY354A, GLY362A, HIS374H, LEU353H, LEU363H, LEU367A, LEU368H, LEU370H, LEU371H, LYS371A, LYS372H, MET361A, PRO369H, PRO375H, SER363A, THR366A, TYR355H
• B-C: ARG376C, THR366B
• B-D: ALA352B, ALA352D, ARG350B, ARG350D, ARG353B, ARG353D, ARG356B, ARG358B, ARG358D, ARG376B, ARG376D, ASN374B, ASN374D, ASP365D, GLU357B, GLU357D, GLY347D, GLY354B, GLY354D, GLY362B, GLY362D, LEU351B, LEU351D, LEU367B, LEU367D, LEU372B, LEU372D, LEU378B, LEU378D, MET359D, MET361B, MET361D, PRO364D, PRO377B, PRO377D, SER363B, SER363D, SER375B, THR366B, THR366D, VAL355B, VAL355D, VAL360B, VAL360D, VAL373B
• B-E: ALA132B, ARG134B, ARG354E, ARG84B, ASN130B, ASP133B, ASP87B, GLN334E, GLN390B, GLU358E, GLU85B, GLY131B, GLY333E, GLY357E, GLY359E, ILE128B, ILE129B, LEU336E, LEU391B, LYS356E, LYS360E, LYS86B, SER387B, SER389B, SER392B, TYR335E, TYR355E, TYR362E, VAL332E
• B-F: ALA370B, ARG348F, ARG354F, ARG97B, ASP111B, GLN367F, GLN99B, GLU110B, GLU112B, GLU339F, GLU358F, GLU366F, GLY106B, GLY359F, HIS102B, ILE101B, ILE108B, LEU100B, LEU107B, LEU351F, LEU353F, LEU361F, LEU363F, LEU368F, LEU69B, LEU98B, LYS109B, LYS360F, LYS371B, PRO364F, PRO369B, PRO369F, THR105B, THR368B, TYR350F, TYR355F, TYR362F, VAL352F
• C-D: ALA370D, ALA92C, ALA92D, ALA96C, ALA96D, ARG39C, ARG39D, ARG72C, ARG72D, ARG84C, ARG97C, ARG97D, ASN130C, ASN130D, ASP111C, ASP111D, ASP75C, ASP75D, ASP87C, ASP87D, CYS83C, CYS83D, GLN91C, GLN91D, GLU110C, GLU110D, GLU112C, GLU112D, GLU70C, GLU70D, GLU82C, GLU82D, GLU85C, GLU85D, GLY74C, GLY74D, HIS117C, HIS117D, ILE73C, ILE73D, LEU69C, LEU69D, LEU88C, LEU88D, LEU94C, LEU94D, LEU98C, LYS86C, LYS86D, PHE114C, PHE114D, PHE68C, PHE78C, PHE78D, PRO35D, PRO36C, PRO36D, PRO76C, PRO76D, PRO77C, PRO77D, PRO93C, PRO93D, SER79C, SER79D, THR89C, THR89D, TYR71C, TYR71D, TYR95C, TYR95D, VAL113C, VAL113D
• C-F: ARG358C, ASP365C, GLN367F, GLU357C, GLY333F, GLY362C, LEU351F, LEU353F, LEU361F, LEU363F, LEU367C, LEU368F, MET359C, MET361C, PRO364C, PRO369F, SER363C, THR366C, TYR355F, VAL360C
• C-G: ALA370C, ARG341G, ARG348G, ARG354G, ARG97C, ASP111C, ASP67C, GLN367G, GLN99C, GLU110C, GLU112C, GLU339G, GLU342G, GLU358G, GLU55C, GLY106C, GLY345G, GLY357G, GLY359G, HIS102C, ILE101C, ILE108C, LEU100C, LEU107C, LEU344G, LEU351G, LEU353G, LEU361G, LEU363G, LEU368G, LEU69C, LEU98C, LYS103C, LYS109C, LYS347G, LYS356G, LYS360G, LYS371C, PRO364G, PRO369C, PRO53C, THR105C, THR368C, TYR350G, TYR355G, TYR362G, VAL343G, VAL346G, VAL352G, VAL65C
• C-H: ALA132C, ARG134C, ARG354H, ARG84C, ASN130C, ASP133C, ASP87C, CYS83C, GLN334H, GLN393C, GLU358H, GLU85C, GLY131C, GLY357H, GLY359H, ILE129C, LEU336H, LEU391C, LEU88C, LYS356H, LYS360H, LYS86C, PHE394C, SER387C, SER389C, SER392C, TYR335H, TYR355H, TYR362H
• D-G: ALA132D, ARG134D, ARG354G, ARG84D, ASN130D, ASP133D, ASP87D, CYS83D, GLN334G, GLN390D, GLN393D, GLU358G, GLU85D, GLY131D, GLY333G, GLY357G, GLY359G, ILE128D, ILE129D, LEU336G, LEU391D, LEU88D, LYS356G, LYS360G, LYS86D, PHE386D, SER387D, SER389D, SER392D, TYR335G, TYR355G, TYR362G, VAL332G
• D-H: ALA370D, ARG341H, ARG348H, ARG354H, ARG373H, ARG97D, ASP104D, ASP111D, ASP365D, ASP67D, GLN99D, GLU110D, GLU112D, GLU339H, GLU342H, GLU358H, GLU366H, GLY106D, GLY345H, GLY357H, GLY359H, HIS102D, HIS374H, ILE101D, ILE108D, LEU100D, LEU107D, LEU344H, LEU351H, LEU353H, LEU361H, LEU363H, LEU370H, LEU371H, LEU69D, LEU98D, LYS103D, LYS109D, LYS360H, LYS372H, PRO364D, PRO364H, PRO369D, PRO369H, PRO53D, THR105D, THR366D, THR368D, TYR350H, TYR355H, TYR362H, VAL343H, VAL346H, VAL352H, VAL365H, VAL65D