3K80

structure of essential protein from trypanosoma brucei

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: D-C
  • Int. Res.: 99
  • Norm. En. per Res.: -4.5181
• Hub Node: A(2)

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-D	0.0	0.0	-0.0035	-0.0035	3	0	0	4	0	0	2
A-C	-81.1668	2.5238	-215.164	-293.807	76	18	6	8556	0	12	12
B-D	-85.9844	2.8055	-209.48	-292.6589	73	16	5	7904	0	12	12
D-C	-92.7965	-116.4137	-238.083	-447.2932	99	22	7	10560	7	23	22

Interface residues

• A-D: GLY66A, LYS20D, LYS65A
• A-C: ALA128C, ALA49A, ALA50A, ALA61A, ALA69A, ALA81C, ARG53A, ARG72A, ASN91C, ASN96C, ASP133C, ASP99A, CYS74C, CYS94C, GLN121C, GLN126C, GLN59A, GLN85C, GLU110A, GLU62A, GLU77C, GLU82C, GLY102A, GLY104A, GLY125C, GLY132C, GLY33A, GLY55A, GLY56A, GLY66A, GLY76C, HIS106A, HIS124C, HIS131C, ILE130C, ILE51A, ILE70A, LEU103A, LEU27C, LEU57A, LEU64A, LEU78C, LYS65A, LYS84C, LYS86C, LYS88C, MET107A, PHE47A, PHE47C, PHE75C, PHE79C, PRO122C, PRO123C, SER105A, SER30A, SER31A, SER52A, SER54A, SER63A, SER71A, SER80C, THR26C, THR58A, TYR101A, TYR111A, TYR60A, VAL120C, VAL127C, VAL129C, VAL28C, VAL48A, VAL83C, VAL87C, VAL92C, VAL93C, VAL95C
• B-D: ALA128D, ALA49B, ALA50B, ALA61B, ALA69B, ALA81D, ARG53B, ARG72B, ASN91D, ASN96D, ASP133D, ASP99B, CYS74D, CYS94D, GLN121D, GLN126D, GLN59B, GLN85D, GLU110B, GLU62B, GLU77D, GLU82D, GLY102B, GLY104B, GLY125D, GLY132D, GLY33B, GLY55B, GLY56B, GLY66B, GLY76D, HIS106B, HIS124D, HIS131D, ILE130D, ILE51B, ILE70B, LEU103B, LEU57B, LEU64B, LEU78D, LYS65B, LYS84D, LYS86D, LYS88D, MET107B, PHE47B, PHE47D, PHE75D, PHE79D, PRO122D, PRO123D, SER105B, SER30B, SER31B, SER52B, SER54B, SER63B, SER71B, SER80D, THR58B, TYR101B, TYR111B, TYR60B, VAL120D, VAL127D, VAL129D, VAL48B, VAL83D, VAL87D, VAL92D, VAL93D, VAL95D
• D-C: ARG100C, ARG100D, ARG98C, ARG98D, ASN23C, ASN23D, ASN96C, ASN96D, ASP55C, ASP68C, ASP68D, CYS94C, CYS94D, GLN119C, GLN119D, GLN121D, GLU66C, GLU66D, GLY29C, GLY29D, GLY97C, GLY97D, HIS112C, HIS112D, HIS124D, HIS69C, HIS69D, HIS70C, HIS70D, ILE118C, ILE118D, ILE130D, ILE54C, ILE54D, ILE72C, ILE72D, LEU101C, LEU101D, LEU27C, LEU27D, LEU49C, LEU49D, LEU99C, LEU99D, LYS20D, LYS67C, LYS67D, PHE113C, PHE113D, PHE115C, PHE115D, PRO103C, PRO103D, PRO116C, PRO116D, PRO123D, SER102C, SER102D, SER21C, SER21D, SER24C, SER24D, SER53C, SER53D, THR26C, THR26D, THR48D, THR50C, THR50D, THR51C, THR51D, THR52C, THR52D, THR56C, THR57C, THR71C, THR71D, TYR114C, TYR114D, TYR117C, TYR117D, VAL22C, VAL22D, VAL25C, VAL25D, VAL28C, VAL28D, VAL30C, VAL30D, VAL64C, VAL64D, VAL65C, VAL65D, VAL92C, VAL92D, VAL93C, VAL93D, VAL95C, VAL95D