3JR6

sequential reorganization of beta-sheet topology by insertion of a single strand

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 125
  • Norm. En. per Res.: -2.0123
• 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-B	-23.8098	-1.2558	-226.472	-251.5376	125	30	10	12284	3	45	30
A-C	0.0	-2.1663	-14.4769	-16.6432	41	0	0	1250	0	12	10
B-D	0.0	0.0	-3.4059	-3.4059	10	0	0	300	0	6	3

Interface residues

• A-B: ALA103B, ALA104B, ALA118A, ALA118B, ALA55B, ALA79A, ALA79B, ALA80A, ALA80B, ALA88A, ALA88B, ALA99B, ARG101B, ARG102A, ARG102B, ARG151B, ARG82A, ARG82B, ARG86A, ARG86B, ASN107A, ASN107B, ASN2B, ASN74B, ASN87A, ASN87B, ASP20A, ASP20B, ASP76A, ASP76B, ASP78A, ASP78B, ASP95A, ASP95B, ASP98B, GLN111A, GLN111B, GLN75A, GLN75B, GLU114A, GLU114B, GLU11A, GLU22A, GLU22B, GLU51A, GLU51B, GLY113A, GLY113B, GLY116A, GLY116B, GLY119A, GLY119B, GLY23A, GLY30A, GLY30B, GLY34A, GLY36A, GLY83A, GLY83B, HIS31A, HIS31B, HIS37A, ILE106A, ILE106B, ILE27A, ILE27B, ILE29A, ILE29B, ILE35A, ILE3B, ILE84A, ILE84B, LEU105B, LEU32A, LEU32B, LEU33A, LEU33B, LEU38A, LEU39A, LEU72A, LEU72B, LEU7B, LEU85A, LEU85B, LEU90A, LEU90B, LEU97B, LYS41A, LYS89A, LYS89B, LYS91A, LYS91B, MET108A, MET108B, MET112A, MET112B, MET1B, MET6B, PHE110A, PHE110B, PHE4B, PHE73A, PHE73B, PRO92A, THR115A, THR115B, THR21B, THR26A, THR26B, THR40A, TRP164B, TYR24A, TYR24B, TYR25A, TYR25B, TYR94B, VAL100B, VAL109A, VAL109B, VAL117A, VAL117B, VAL77A, VAL77B, VAL81A, VAL81B
• A-C: ARG14A, ARG14C, ARG151C, ARG154C, ARG58A, ARG8C, ASN146C, ASN150C, ASN169C, ASN46A, ASN61A, ASP10C, ASP20A, ASP20C, GLN111C, GLN147C, GLU11C, GLY12C, ILE17A, ILE64A, ILE9C, LEU13C, LEU15A, LEU170C, LEU45A, LYS16A, LYS16C, LYS19A, LYS19C, LYS49A, PRO149C, THR148C, THR21A, THR21C, THR65A, TYR145C, TYR18A, TYR18C, TYR24A, TYR25A, VAL63A
• B-D: ALA99D, ARG125B, ARG131B, ASN2D, GLN129B, GLU134B, MET126B, MET1D, TRP164D, VAL100D