2I52

crystal structure of protein pto0218 from picrophilus torridus, pfam duf372

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 116
  • Norm. En. per Res.: -3.8058
• Hub Node: B(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	1.1387	-411.871	-410.7323	118	3	23	14915	0	20	16
A-C	-11.7297	-1.58	-288.21	-301.5197	106	5	4	10141	0	6	11
A-D	0.0	0.0	-93.5164	-93.5164	48	4	4	3320	0	4	3
B-C	-5.7711	-10.4103	-90.1961	-106.3775	49	0	4	3367	1	6	3
B-D	-18.9606	-5.96	-351.609	-376.5296	110	14	5	12393	0	6	13
B-E	0.0	0.0	-0.1112	-0.1112	4	0	0	42	0	0	1
B-F	-27.0561	-47.4006	-112.759	-187.2156	72	6	0	4787	8	19	28
C-D	-33.6118	1.1512	-409.009	-441.4697	116	6	22	14784	1	19	16
D-F	0.0	0.0	-0.218	-0.218	7	0	0	51	0	2	2
E-F	-24.0553	-22.2853	-318.704	-365.0446	110	17	5	12336	0	6	11

Interface residues

• A-B: ALA116A, ALA116B, ALA17A, ALA17B, ALA21A, ALA21B, ALA27A, ALA27B, ALA5A, ALA5B, ARG16A, ARG16B, ASN104A, ASN104B, ASN10A, ASN10B, ASP106A, ASP106B, ASP13A, ASP3A, ASP3B, CYS11A, CYS11B, GLN15A, GLN15B, GLN31A, GLN31B, GLN56A, GLN56B, GLU107A, GLU107B, GLU118A, GLU118B, GLU20A, GLU20B, GLU6A, GLU6B, GLY101A, GLY101B, GLY108A, GLY108B, GLY22A, GLY22B, GLY26A, GLY26B, HIS30A, HIS30B, HIS87A, HIS87B, ILE14A, ILE14B, ILE23A, ILE23B, ILE28A, ILE28B, ILE55A, ILE55B, ILE92A, ILE92B, LEU100A, LEU100B, LEU103A, LEU103B, LEU109A, LEU109B, LEU25A, LEU25B, LYS117A, LYS117B, LYS24A, LYS24B, LYS7A, LYS7B, LYS97A, LYS97B, MET114A, MET114B, PHE18A, PHE18B, PHE19A, PHE19B, PHE29A, PHE29B, PHE58A, PHE58B, PHE9A, PHE9B, PRO112A, PRO112B, PRO4A, PRO4B, PRO57A, PRO57B, SER0A, SER0B, THR12A, THR12B, THR33A, THR33B, TYR105A, TYR105B, TYR111A, TYR111B, TYR115A, TYR115B, TYR32A, TYR32B, TYR8A, TYR8B, VAL102A, VAL102B, VAL113A, VAL113B, VAL119A, VAL90A, VAL90B, VAL99A, VAL99B
• A-C: ALA27A, ALA27C, ALA42A, ALA42C, ALA45A, ALA45C, ALA5A, ALA5C, ARG16A, ARG16C, ARG51A, ARG51C, ASN38A, ASN38C, ASN41A, ASN41C, ASP3A, ASP3C, GLN31A, GLN31C, GLN56A, GLN56C, GLU20A, GLU40A, GLU40C, GLU46A, GLU46C, GLU47A, GLU47C, GLU50A, GLU50C, GLU6A, GLU6C, GLY34A, GLY34C, HIS30A, HIS30C, ILE23A, ILE23C, ILE28A, ILE28C, ILE35A, ILE35C, ILE49A, ILE49C, ILE55A, ILE55C, ILE66A, ILE66C, LEU1A, LEU1C, LEU81A, LEU81C, LYS24A, LYS24C, LYS7A, LYS7C, MET44A, MET44C, MET54A, MET54C, PHE29A, PHE29C, PHE48A, PHE48C, PHE58A, PHE58C, PHE9A, PHE9C, PRO36A, PRO36C, PRO4A, PRO4C, PRO57A, PRO57C, SER0A, SER0C, SER39A, SER39C, SER43C, SER52A, SER52C, SER77A, SER77C, SER79A, SER79C, SER80A, SER80C, THR33A, THR33C, THR53A, THR53C, TYR2A, TYR2C, TYR32A, TYR32C, TYR76A, TYR76C, TYR78A, TYR78C, TYR8A, TYR8C, VAL37A, VAL37C, VAL59C, VAL69C
• A-D: ASN82A, ASN82D, ASP106A, ASP106D, ASP110A, ASP110D, GLN31D, GLU83A, GLU83D, GLY108D, GLY34A, GLY34D, HIS30A, HIS30D, ILE35A, ILE35D, LEU109A, LEU109D, LEU81A, LEU81D, LYS84A, LYS84D, MET114A, MET114D, PHE29A, PHE29D, PRO112A, PRO112D, PRO36A, PRO36D, SER77A, SER77D, SER79A, SER79D, SER80A, SER80D, THR33A, THR33D, THR75D, TYR105A, TYR111A, TYR111D, TYR76A, TYR76D, TYR78A, TYR78D, VAL113A, VAL113D
• B-C: ASN82B, ASN82C, ASP106B, ASP106C, ASP110B, ASP110C, GLN31B, GLN31C, GLU83B, GLU83C, GLY108B, GLY34B, GLY34C, HIS30B, HIS30C, ILE35B, ILE35C, LEU109B, LEU109C, LEU81B, LEU81C, LYS70B, LYS84B, LYS84C, MET114B, MET114C, PHE29B, PHE29C, PRO112B, PRO112C, PRO36B, PRO36C, SER77B, SER77C, SER79B, SER79C, SER80B, SER80C, THR33B, THR33C, TYR105C, TYR111B, TYR111C, TYR76B, TYR76C, TYR78B, TYR78C, VAL113B, VAL113C
• B-D: ALA27B, ALA27D, ALA42B, ALA42D, ALA45B, ALA45D, ALA5B, ALA5D, ARG16B, ARG16D, ARG51B, ARG51D, ASN38B, ASN38D, ASN41B, ASN41D, ASP3B, ASP3D, GLN31B, GLN31D, GLN56B, GLN56D, GLU20B, GLU40B, GLU40D, GLU46B, GLU46D, GLU47B, GLU47D, GLU50B, GLU50D, GLU6B, GLU6D, GLY34B, GLY34D, GLY74D, HIS30B, HIS30D, ILE23B, ILE23D, ILE28B, ILE28D, ILE35B, ILE35D, ILE49B, ILE49D, ILE55B, ILE55D, ILE66B, ILE66D, LEU1B, LEU1D, LEU81B, LEU81D, LYS24B, LYS24D, LYS70B, LYS7B, MET44B, MET44D, MET54B, MET54D, PHE29B, PHE29D, PHE48B, PHE48D, PHE58B, PHE58D, PHE9B, PHE9D, PRO36B, PRO36D, PRO4B, PRO4D, PRO57B, PRO57D, SER0B, SER39B, SER39D, SER43B, SER43D, SER52B, SER52D, SER73D, SER77B, SER77D, SER79B, SER79D, SER80B, SER80D, THR33B, THR33D, THR53B, THR53D, THR75D, TYR2B, TYR2D, TYR32B, TYR32D, TYR76B, TYR76D, TYR78B, TYR78D, TYR8B, TYR8D, TYR94B, VAL37B, VAL37D, VAL59B, VAL69B
• B-E: ARG51E, ASN61B, LEU120B, LEU1E
• B-F: ALA42B, ALA42F, ALA45B, ALA45F, ALA88B, ARG51B, ARG51F, ARG63B, ARG63F, ARG71F, ASN38B, ASN38F, ASN41B, ASN41F, ASN61B, ASN61F, ASN67B, ASN67F, ASN68B, ASN68F, GLU40B, GLU40F, GLU46B, GLU46F, GLU47B, GLU47F, GLU50B, GLU50F, GLU60B, GLU60F, GLU89B, GLU89F, GLY101B, HIS87B, HIS87F, ILE64B, ILE64F, ILE66B, ILE66F, ILE92B, LEU100B, LEU100F, LEU120B, LEU81B, LEU91B, LEU91F, LYS117B, LYS70B, LYS70F, LYS98B, MET44B, MET44F, MET85B, MET85F, SER39B, SER39F, SER43B, SER43F, SER65B, SER65F, SER72F, VAL102B, VAL102F, VAL119B, VAL37B, VAL37F, VAL62B, VAL62F, VAL69B, VAL69F, VAL90B, VAL99B
• C-D: ALA116C, ALA116D, ALA17C, ALA17D, ALA21C, ALA21D, ALA27C, ALA27D, ALA5C, ALA5D, ARG16C, ARG16D, ASN104C, ASN104D, ASN10C, ASN10D, ASP106C, ASP106D, ASP3C, ASP3D, CYS11C, CYS11D, GLN15C, GLN15D, GLN31C, GLN31D, GLN56C, GLN56D, GLU107C, GLU107D, GLU118C, GLU118D, GLU20C, GLU20D, GLU6C, GLU6D, GLY101C, GLY101D, GLY108C, GLY108D, GLY22C, GLY22D, GLY26C, GLY26D, HIS30C, HIS30D, HIS87C, HIS87D, ILE14C, ILE14D, ILE23C, ILE23D, ILE28C, ILE28D, ILE92C, ILE92D, LEU100C, LEU100D, LEU103C, LEU103D, LEU109C, LEU109D, LEU1C, LEU25C, LEU25D, LYS117C, LYS117D, LYS24C, LYS24D, LYS7C, LYS7D, LYS97C, LYS97D, MET114C, MET114D, PHE18C, PHE18D, PHE19C, PHE19D, PHE29C, PHE29D, PHE58C, PHE58D, PHE9C, PHE9D, PRO112C, PRO112D, PRO4C, PRO4D, PRO57C, PRO57D, SER0C, SER0D, THR12C, THR12D, THR33C, THR33D, TYR105C, TYR105D, TYR111C, TYR111D, TYR115C, TYR115D, TYR32C, TYR32D, TYR8C, TYR8D, VAL102C, VAL102D, VAL113C, VAL113D, VAL119C, VAL90C, VAL90D, VAL99C, VAL99D
• D-F: ARG51D, ASN61F, GLU47F, LEU120F, LEU1D, MET44D, MET54F
• E-F: ALA27E, ALA27F, ALA42E, ALA42F, ALA45E, ALA45F, ALA5E, ALA5F, ARG16E, ARG16F, ARG51E, ARG51F, ASN38E, ASN38F, ASN41E, ASN41F, ASP3E, ASP3F, GLN31E, GLN31F, GLN56E, GLN56F, GLU20E, GLU40E, GLU40F, GLU46E, GLU46F, GLU47E, GLU47F, GLU50E, GLU50F, GLU6E, GLU6F, GLY34E, GLY34F, HIS30E, HIS30F, ILE23E, ILE23F, ILE28E, ILE28F, ILE35E, ILE35F, ILE49E, ILE49F, ILE55E, ILE55F, ILE66E, ILE66F, LEU1E, LEU1F, LEU81E, LEU81F, LYS24E, LYS24F, LYS70F, LYS7F, MET44E, MET44F, MET54E, MET54F, PHE29E, PHE29F, PHE48E, PHE48F, PHE58E, PHE58F, PHE9E, PHE9F, PRO36E, PRO36F, PRO4E, PRO4F, PRO57E, PRO57F, SER0E, SER0F, SER39E, SER39F, SER43E, SER43F, SER52E, SER52F, SER72F, SER77E, SER77F, SER79E, SER79F, SER80E, SER80F, THR33E, THR33F, THR53E, THR53F, THR75F, TYR2E, TYR2F, TYR32E, TYR32F, TYR76E, TYR76F, TYR78E, TYR78F, TYR8E, TYR8F, TYR94E, VAL37E, VAL37F, VAL59E, VAL69E