3K33

crystal structure of the phd-doc complex

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 81
  • Norm. En. per Res.: -5.3878
• 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	-40.2564	-70.0641	-161.106	-271.4265	65	6	6	6440	3	18	12
A-C	-53.7814	-72.2362	-310.397	-436.4146	81	16	9	12025	9	30	20
A-D	0.0	17.3356	-1.2398	16.0958	9	0	0	105	0	2	7
C-D	-28.5978	-21.5708	-208.482	-258.6506	94	7	20	9391	2	26	21
C-E	0.0	0.0	-0.0251	-0.0251	3	0	0	9	0	0	0
D-E	0.0	0.0	-8.7176	-8.7176	27	0	0	970	0	0	0

Interface residues

• A-B: ALA104A, ALA105A, ALA34A, ALA41A, ALA50B, ALA51B, ALA54B, ALA56A, ALA57B, ALA61A, ALA63A, ARG31A, ARG38A, ARG42A, ARG64A, ASP28A, ASP53B, ASP61B, ASP64B, GLN40A, GLU108A, GLU33A, GLU45B, GLU46A, GLU53A, GLU55B, GLY103A, GLY107A, GLY30A, GLY37A, GLY65A, HIS66A, ILE109A, ILE35A, ILE36A, ILE48A, ILE67A, LEU52B, LEU59A, LEU59B, LEU63B, LYS48B, LYS49B, PHE44B, PHE56B, PHE60B, PRO29A, SER110A, SER112A, SER113A, SER58B, SER65B, THR106A, THR57A, THR62A, THR62B, THR66B, TYR47B, TYR58A, VAL111A, VAL114A, VAL39A, VAL43A, VAL54A, VAL60A
• A-C: ALA105A, ALA11A, ALA15A, ALA51C, ALA54C, ALA57C, ALA71A, ALA76A, ALA80A, ALA98A, ARG19A, ARG2A, ARG73C, ARG74A, ARG85A, ARG86A, ASN16A, ASN67C, ASN72A, ASN72C, ASN78A, ASP14A, ASP53C, ASP61C, ASP64C, ASP70A, ASP93A, ASP99A, GLN90A, GLU55C, GLU69C, GLU7A, GLU8A, GLU96A, GLY103A, GLY21A, GLY22A, HIS13A, ILE10A, ILE17A, ILE4A, LEU100A, LEU12A, LEU52C, LEU59A, LEU59C, LEU63C, LEU70C, LEU77A, LEU81A, LEU82A, LEU84A, LEU97A, LEU9A, LYS41C, LYS48C, LYS49C, LYS68C, LYS73A, PHE44C, PHE56C, PHE60C, PHE83A, PHE92A, PRO95A, SER18A, SER58C, SER5A, SER65C, SER79A, SER94A, THR101A, THR106A, THR62C, THR66C, THR75A, TYR122A, TYR20A, VAL102A, VAL71C, VAL91A
• A-D: ALA46D, ARG2A, ARG86A, GLN2D, GLU25D, GLU7A, GLU8A, THR43D, TYR47D
• C-D: ALA36C, ALA36D, ALA42C, ALA42D, ALA46C, ALA46D, ALA50C, ALA50D, ALA51C, ALA51D, ALA54C, ALA54D, ALA57C, ALA57D, ALA9C, ALA9D, ARG10C, ARG10D, ARG30C, ARG30D, ARG33C, ARG33D, ARG7C, ARG7D, ASN12C, ASN18C, ASN18D, ASN5C, ASN5D, ASP53C, ASP53D, GLU15C, GLU21C, GLU21D, GLU24D, GLU25C, GLU25D, GLU27C, GLU27D, GLU34C, GLU34D, GLU45C, GLU45D, GLU55C, GLU55D, GLU69D, GLY11C, GLY11D, ILE28C, ILE28D, ILE38C, ILE38D, ILE4D, LEU13C, LEU13D, LEU17C, LEU17D, LEU52C, LEU52D, LYS41C, LYS41D, LYS48C, LYS48D, LYS49C, LYS49D, MET1C, PHE44C, PHE44D, PHE6C, PHE6D, PRO35C, PRO35D, SER14C, SER14D, SER3D, SER40C, SER40D, THR29C, THR29D, THR43C, THR43D, THR8D, TYR47C, TYR47D, VAL16C, VAL16D, VAL20C, VAL20D, VAL26C, VAL26D, VAL37C, VAL37D, VAL39C, VAL39D
• C-E: GLY23C, THR43C, UNK12E
• D-E: ASN67D, ASN72D, ASP61D, ASP64D, GLU55D, GLU69D, LEU59D, LEU63D, LEU70D, LYS68D, PHE56D, SER58D, SER65D, THR62D, UNK10E, UNK11E, UNK12E, UNK1E, UNK2E, UNK3E, UNK4E, UNK5E, UNK6E, UNK7E, UNK8E, UNK9E, VAL71D