3T12

mgla in complex with mglb in transition state

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 73
  • Norm. En. per Res.: -2.356
• 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	-2.6303	1.0128	-89.1718	-90.7893	50	1	7	4162	0	12	6
A-C	0.0	-33.1236	-138.864	-171.9876	73	8	4	6460	2	15	19
B-C	-72.0666	-40.7843	560.368	447.5172	118	55	17	13813	4	18	21

Interface residues

• A-B: ALA48A, ALA60B, ALA64B, ALA67B, ALA68B, ALA69B, ALA72B, ALA87A, ARG37B, ARG53A, ARG89A, ASN66B, ASN86A, ASP36B, ASP51A, ASP57B, GLN71B, GLN82A, GLU43A, GLU50A, GLY39B, HIS102B, ILE92A, LEU104B, LEU47A, LEU55A, LEU59B, LEU62B, LEU73B, LEU76B, LEU91A, LYS38B, LYS90A, PHE40B, PHE56A, PHE57A, PHE84A, PRO55B, PRO80A, SER46A, SER65B, SER88A, THR49A, THR58B, THR61B, THR70B, TYR85A, VAL45A, VAL63B, VAL83A
• A-C: ALA103C, ALA60C, ALA64C, ALA67C, ALA68C, ALA69C, ALA72C, ALA87A, ARG37C, ARG73A, ARG94A, ASN12A, ASN66C, ASP36C, ASP57C, ASP58A, ASP97A, GLN71C, GLU101C, GLU126A, GLU43A, GLY100C, GLY39C, GLY42A, GLY95A, HIS102C, HIS75A, ILE11A, ILE15A, ILE92A, LEU104C, LEU42C, LEU47A, LEU56C, LEU59C, LEU60A, LEU62C, LEU6C, LEU73C, LEU76A, LEU76C, LEU8C, LEU91A, LEU93A, LYS14A, LYS38C, LYS75C, LYS90A, MET44A, PHE13A, PHE40C, PHE56A, PHE57A, PHE59A, PHE74A, PRO54C, PRO55C, PRO61A, SER46A, SER5C, SER65C, SER88A, THR58C, THR61C, THR70C, TYR127A, TYR77A, TYR9C, VAL41C, VAL45A, VAL63C, VAL7C, VAL96A
• B-C: ALA130C, ALA131C, ALA133C, ALA136C, ALA60B, ALA60C, ALA64B, ALA64C, ALA67B, ALA67C, ALA68B, ALA68C, ALA69B, ALA69C, ALA72B, ALA72C, ALA74B, ALA74C, ALA80B, ALA80C, ARG30B, ARG30C, ARG81B, ARG81C, ARG91B, ARG91C, ASN66B, ASN66C, ASP110B, ASP110C, ASP57B, ASP57C, GLN71B, GLN71C, GLN83B, GLN83C, GLN88B, GLN88C, GLU101C, GLU111C, GLU134C, GLU135C, GLU79B, GLU79C, GLU84B, GLU84C, GLU85B, GLU85C, GLU90B, GLU90C, GLY100C, GLY78B, GLY78C, GLY89B, GLY89C, GLY93B, GLY93C, HIS102C, HIS87B, HIS87C, ILE132C, ILE35C, LEU107B, LEU107C, LEU129C, LEU137C, LEU56B, LEU56C, LEU59B, LEU59C, LEU62B, LEU62C, LEU6C, LEU73B, LEU73C, LEU76B, LEU76C, LEU77B, LEU77C, LEU94B, LEU94C, LYS75B, LYS75C, MET92B, MET92C, PHE109B, PHE109C, PHE4B, PHE82B, PHE82C, PRO53B, PRO53C, PRO54B, PRO54C, PRO55B, PRO55C, SER65B, SER65C, THR58B, THR58C, THR61B, THR61C, THR70B, THR70C, TYR31B, TYR31C, TYR95B, TYR95C, VAL106B, VAL106C, VAL108B, VAL108C, VAL63B, VAL63C, VAL86B, VAL86C, VAL96B, VAL96C