2QLP

bifunctional dctp deaminase:dutpase from mycobacterium tuberculosis, apo form

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 65
  • Norm. En. per Res.: -4.1743
• 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	-103.6174	-33.5201	-403.395	-540.5325	130	28	12	16928	6	27	29
A-C	-63.8221	-15.8809	-390.863	-470.566	125	37	12	16607	1	23	26
A-D	0.0	1.3973	-34.9402	-33.5429	17	0	0	1524	0	2	1
A-E	0.0	3.448	-18.2671	-14.8191	11	0	0	593	0	2	3
A-F	-63.9296	-37.0451	-120.354	-221.3286	62	10	2	5409	1	12	8
B-C	-21.1728	5.913	-345.059	-360.3187	123	11	11	14812	0	21	23
B-D	0.0	3.1661	-19.1471	-15.981	10	0	0	580	0	2	3
B-E	-52.3606	-55.4378	-138.286	-246.0843	60	3	2	5459	4	12	9
B-F	0.0	1.4626	-33.2023	-31.7397	16	0	0	1493	0	2	1
C-D	-73.3206	-59.6686	-138.338	-271.3272	65	12	2	5413	5	12	9
C-E	0.0	2.1491	-34.5311	-32.382	15	0	0	1424	0	2	1
C-F	0.0	3.1007	-20.8802	-17.7795	12	0	0	608	0	2	3
D-E	-76.6646	-28.8193	-398.67	-504.1539	125	19	12	16494	2	25	28
D-F	-59.948	-1.321	-397.911	-459.18	126	23	12	15920	1	20	21
E-F	-61.7328	-27.0213	-374.175	-462.9291	126	23	12	15934	3	23	25

Interface residues

• A-B: ALA115A, ALA134B, ALA54A, ALA95A, ARG106B, ARG153A, ARG153B, ARG41A, ARG47A, ARG6B, ARG97A, ARG97B, ARG9B, ASN132A, ASN132B, ASN135B, ASN44A, ASN45A, ASN93A, ASP119A, ASP24B, ASP52A, ASP5B, ASP7B, ASP92A, CYS150B, GLN148B, GLN28B, GLN56A, GLN57A, GLU11B, GLU129A, GLU159A, GLU78A, GLU99A, GLU99B, GLY100B, GLY105B, GLY108B, GLY116A, GLY121A, GLY147B, GLY77A, GLY82A, GLY96A, HIS112A, HIS112B, HIS160A, HIS50A, HIS75B, ILE118A, ILE126A, ILE138B, ILE146B, ILE32B, ILE51A, LEU104B, LEU107B, LEU109B, LEU110A, LEU110B, LEU128A, LEU130A, LEU136B, LEU140B, LEU152A, LEU152B, LEU154A, LEU2A, LEU2B, LEU3A, LEU3B, LEU60A, LEU74B, LEU81A, LEU8B, LEU94A, LEU94B, LEU98A, LEU98B, LYS101B, LYS145B, LYS55A, MET144B, MET151A, MET151B, MET1A, MET1B, PHE117A, PHE117B, PHE122A, PHE43A, PHE79A, PRO120A, PRO137B, PRO157A, PRO161A, PRO29B, PRO53A, PRO71B, PRO76B, SER102B, SER103B, SER113A, SER113B, SER131A, SER131B, SER156A, SER158A, SER30B, SER31B, SER4B, THR111B, THR114A, THR127A, THR139B, THR155A, THR155B, THR25B, THR46A, THR49A, THR61A, TRP141B, TYR48A, VAL133A, VAL133B, VAL27B, VAL42A, VAL73B, VAL80A
• A-C: ALA115C, ALA134A, ALA54C, ALA95C, ARG106A, ARG153A, ARG153C, ARG41C, ARG47C, ARG6A, ARG97A, ARG97C, ARG9A, ASN132A, ASN132C, ASN135A, ASN44C, ASN45C, ASN93C, ASP119C, ASP52C, ASP5A, ASP7A, ASP92C, CYS150A, GLN148A, GLN28A, GLN56C, GLN57C, GLU11A, GLU129C, GLU159C, GLU78C, GLU99A, GLU99C, GLY100A, GLY105A, GLY108A, GLY116C, GLY121C, GLY147A, GLY77C, GLY82C, GLY96C, HIS112A, HIS112C, HIS50C, HIS75A, ILE118C, ILE126C, ILE138A, ILE146A, ILE51C, LEU104A, LEU107A, LEU109A, LEU110A, LEU110C, LEU128C, LEU130C, LEU136A, LEU140A, LEU152A, LEU152C, LEU154C, LEU2A, LEU2C, LEU36A, LEU3A, LEU3C, LEU60C, LEU74A, LEU81C, LEU8A, LEU94A, LEU94C, LEU98A, LEU98C, LYS101A, LYS145A, LYS55C, MET144A, MET151A, MET151C, MET1A, MET1C, PHE117C, PHE122C, PHE43C, PHE79C, PRO120C, PRO137A, PRO157C, PRO29A, PRO53C, PRO71A, PRO76A, SER102A, SER103A, SER113A, SER113C, SER131A, SER131C, SER156C, SER158C, SER30A, SER31A, SER4A, THR111A, THR114C, THR127C, THR139A, THR155A, THR155C, THR46C, THR49C, THR61C, TRP141A, TYR48C, VAL133A, VAL133C, VAL27A, VAL42C, VAL73A, VAL80C
• A-D: ASN132A, ASN135A, ASN135D, GLU78A, GLU78D, GLY77A, GLY77D, HIS75A, HIS75D, LEU136A, LEU136D, PRO137A, PRO137D, PRO76A, PRO76D, VAL73A, VAL73D
• A-E: ASP52A, ASP52E, HIS50A, HIS50E, ILE51A, ILE51E, LYS55A, THR49A, THR49E, TYR48A, TYR48E
• A-F: ARG41A, ARG47A, ARG47F, ASN44A, ASN44F, ASN45A, ASN45F, GLN65A, GLN65F, GLU59F, GLU70A, GLU70F, GLU78A, GLU78F, GLY77A, HIS50A, HIS50F, HIS75A, HIS75F, ILE138A, ILE138F, ILE51A, ILE51F, LEU136A, LEU136F, LEU140A, LEU140F, LEU74A, LEU74F, PHE40A, PHE40F, PHE43A, PHE43F, PHE72A, PHE72F, PRO137A, PRO137F, PRO66A, PRO66F, PRO71A, PRO71F, PRO76A, PRO76F, THR139A, THR139F, THR46A, THR46F, THR49A, THR49F, TRP141F, TYR48A, TYR48F, VAL42A, VAL42F, VAL64A, VAL64F, VAL67A, VAL67F, VAL73A, VAL73F, VAL80A, VAL80F
• B-C: ALA115B, ALA134C, ALA54B, ALA95B, ARG106C, ARG153B, ARG153C, ARG41B, ARG47B, ARG6C, ARG97B, ARG97C, ARG9C, ASN132B, ASN132C, ASN135C, ASN44B, ASN45B, ASN93B, ASP119B, ASP52B, ASP5C, ASP7C, ASP92B, CYS150C, GLN148C, GLN28C, GLN56B, GLN57B, GLU11C, GLU129B, GLU159B, GLU78B, GLU99B, GLU99C, GLY100C, GLY105C, GLY108C, GLY116B, GLY121B, GLY77B, GLY82B, GLY96B, HIS112B, HIS112C, HIS50B, HIS75C, ILE118B, ILE126B, ILE138C, ILE146C, ILE32C, ILE51B, LEU104C, LEU107C, LEU109C, LEU110B, LEU110C, LEU128B, LEU130B, LEU136C, LEU140C, LEU149C, LEU152B, LEU152C, LEU154B, LEU2B, LEU2C, LEU3C, LEU60B, LEU74C, LEU81B, LEU8C, LEU94B, LEU94C, LEU98B, LEU98C, LYS101C, LYS145C, LYS55B, MET144C, MET151C, MET1B, MET1C, PHE117B, PHE122B, PHE43B, PHE79B, PRO120B, PRO137C, PRO157B, PRO29C, PRO53B, PRO71C, PRO76C, SER102C, SER103C, SER113B, SER113C, SER131B, SER131C, SER156B, SER158B, SER30C, SER31C, SER4C, THR111C, THR114B, THR127B, THR139C, THR155B, THR155C, THR46B, THR49B, THR61B, TRP141C, TYR48B, VAL133B, VAL133C, VAL27C, VAL42B, VAL73C, VAL80B
• B-D: ASP52B, ASP52D, HIS50B, HIS50D, ILE51B, ILE51D, THR49B, THR49D, TYR48B, TYR48D
• B-E: ARG47B, ARG47E, ASN44B, ASN44E, ASN45B, ASN45E, GLN65B, GLN65E, GLU59B, GLU70B, GLU70E, GLU78B, GLU78E, GLY77B, GLY77E, HIS50B, HIS50E, HIS75B, HIS75E, ILE138B, ILE138E, ILE51B, ILE51E, LEU140B, LEU140E, LEU74B, LEU74E, PHE40B, PHE40E, PHE43E, PHE72B, PHE72E, PRO137B, PRO137E, PRO66B, PRO66E, PRO71B, PRO71E, PRO76B, PRO76E, THR139B, THR139E, THR46B, THR46E, THR49B, THR49E, TRP141B, TRP141E, TYR48B, TYR48E, VAL42B, VAL42E, VAL64B, VAL64E, VAL67B, VAL67E, VAL73B, VAL73E, VAL80B, VAL80E
• B-F: ASN135B, ASN135F, GLU78B, GLU78F, GLY77B, GLY77F, HIS75B, HIS75F, LEU136B, LEU136F, PRO137B, PRO137F, PRO76B, PRO76F, VAL73B, VAL73F
• C-D: ARG41D, ARG47C, ARG47D, ASN44C, ASN44D, ASN45C, ASN45D, ASP68C, GLN65C, GLN65D, GLU59C, GLU59D, GLU70C, GLU70D, GLU78C, GLU78D, GLY77C, GLY77D, HIS50C, HIS50D, HIS75C, HIS75D, ILE138C, ILE138D, ILE51C, ILE51D, LEU136C, LEU136D, LEU140C, LEU140D, LEU74C, LEU74D, PHE40C, PHE40D, PHE43D, PHE72C, PHE72D, PRO137C, PRO137D, PRO66C, PRO66D, PRO71C, PRO71D, PRO76C, PRO76D, THR139C, THR139D, THR46C, THR46D, THR49C, THR49D, TRP141C, TRP141D, TYR48C, TYR48D, VAL42C, VAL42D, VAL64C, VAL64D, VAL67C, VAL67D, VAL73C, VAL73D, VAL80C, VAL80D
• C-E: ASN132C, ASN135C, ASN135E, GLU78C, GLU78E, HIS75C, HIS75E, LEU136C, LEU136E, PRO137C, PRO137E, PRO76C, PRO76E, VAL73C, VAL73E
• C-F: ASN135C, ASN135F, ASP52C, ASP52F, HIS50C, HIS50F, ILE51C, ILE51F, THR49C, THR49F, TYR48C, TYR48F
• D-E: ALA115D, ALA134E, ALA54D, ALA95D, ARG106E, ARG153D, ARG153E, ARG41D, ARG47D, ARG6E, ARG97D, ARG97E, ARG9E, ASN132D, ASN132E, ASN135E, ASN44D, ASN45D, ASN93D, ASP119D, ASP24E, ASP52D, ASP5E, ASP7E, ASP92D, CYS150E, GLN148E, GLN28E, GLN56D, GLN57D, GLU11E, GLU129D, GLU159D, GLU78D, GLU99D, GLU99E, GLY100E, GLY105E, GLY108E, GLY116D, GLY121D, GLY147E, GLY77D, GLY82D, GLY96D, HIS112D, HIS112E, HIS160D, HIS50D, HIS75E, ILE118D, ILE126D, ILE138E, ILE146E, ILE51D, LEU104E, LEU107E, LEU109E, LEU110D, LEU110E, LEU128D, LEU130D, LEU136E, LEU140E, LEU152D, LEU152E, LEU154D, LEU2D, LEU2E, LEU3E, LEU60D, LEU74E, LEU81D, LEU8E, LEU94D, LEU94E, LEU98E, LYS101E, LYS145E, LYS55D, MET144E, MET151D, MET151E, MET1D, MET1E, PHE117D, PHE122D, PHE43D, PHE79D, PRO120D, PRO137E, PRO157D, PRO29E, PRO53D, PRO71E, PRO76E, SER102E, SER103E, SER113D, SER113E, SER131D, SER131E, SER156D, SER158D, SER30E, SER31E, SER4E, THR111E, THR114D, THR127D, THR139E, THR155D, THR155E, THR25E, THR46D, THR49D, THR61D, TRP141E, TYR48D, VAL133D, VAL133E, VAL27E, VAL42D, VAL73E, VAL80D
• D-F: ALA115F, ALA134D, ALA54F, ALA95F, ARG106D, ARG153D, ARG153F, ARG41F, ARG47F, ARG6D, ARG97D, ARG97F, ARG9D, ASN132D, ASN132F, ASN135D, ASN44F, ASN45F, ASN93F, ASP119F, ASP52F, ASP5D, ASP7D, ASP92F, CYS150D, GLN148D, GLN28D, GLN56F, GLN57F, GLU129F, GLU78F, GLU99D, GLU99F, GLY100D, GLY105D, GLY108D, GLY116D, GLY116F, GLY121F, GLY147D, GLY77F, GLY82F, GLY96F, HIS112D, HIS112F, HIS50F, HIS75D, ILE118F, ILE126F, ILE138D, ILE146D, ILE32D, ILE51F, LEU104D, LEU107D, LEU109D, LEU110D, LEU110F, LEU128F, LEU130F, LEU136D, LEU140D, LEU149D, LEU152D, LEU152F, LEU154F, LEU2D, LEU2F, LEU3D, LEU3F, LEU60F, LEU74D, LEU81F, LEU8D, LEU94D, LEU94F, LEU98D, LEU98F, LYS101D, LYS145D, LYS55F, MET144D, MET151D, MET151F, MET1D, MET1F, PHE117D, PHE117F, PHE122F, PHE43F, PHE79F, PRO120F, PRO137D, PRO157F, PRO29D, PRO53F, PRO71D, PRO76D, SER102D, SER103D, SER113D, SER113F, SER131D, SER131F, SER156F, SER158F, SER30D, SER31D, SER4D, THR111D, THR114F, THR127F, THR139D, THR155D, THR155F, THR46F, THR49F, THR61F, TRP141D, TYR48F, VAL133D, VAL133F, VAL27D, VAL42F, VAL73D, VAL80F
• E-F: ALA115E, ALA134F, ALA54E, ALA95E, ARG106F, ARG153E, ARG153F, ARG41E, ARG47E, ARG6F, ARG97E, ARG97F, ARG9F, ASN132E, ASN132F, ASN135F, ASN44E, ASN45E, ASN93E, ASP119E, ASP52E, ASP5F, ASP7F, ASP92E, CYS150E, CYS150F, GLN148F, GLN28F, GLN56E, GLN57E, GLU11F, GLU129E, GLU159E, GLU78E, GLU99E, GLU99F, GLY100F, GLY105F, GLY108F, GLY116E, GLY116F, GLY121E, GLY147F, GLY77E, GLY82E, GLY96E, HIS112E, HIS112F, HIS50E, HIS75F, ILE118E, ILE126E, ILE138F, ILE146F, ILE51E, LEU104F, LEU107F, LEU109F, LEU110E, LEU110F, LEU128E, LEU130E, LEU136F, LEU140F, LEU152E, LEU152F, LEU154E, LEU2E, LEU2F, LEU3F, LEU60E, LEU74F, LEU81E, LEU8F, LEU94E, LEU94F, LEU98E, LEU98F, LYS101F, LYS145F, LYS55E, MET144F, MET151E, MET151F, MET1E, MET1F, PHE117E, PHE122E, PHE43E, PHE79E, PRO120E, PRO137F, PRO157E, PRO29F, PRO53E, PRO71F, PRO76E, PRO76F, SER102F, SER103F, SER113E, SER113F, SER131E, SER131F, SER156E, SER158E, SER30F, SER31F, SER4F, THR111F, THR114E, THR127E, THR139F, THR155E, THR155F, THR46E, THR49E, THR61E, TRP141F, TYR48E, VAL133E, VAL133F, VAL27F, VAL42E, VAL73F, VAL80E