3OCD

diheme soxax - c236m mutant

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 163
  • Norm. En. per Res.: -5.1937
• 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	-155.7642	-91.5295	-599.286	-846.5797	163	38	12	22566	4	36	38
A-D	0.0	0.0	-0.5656	-0.5656	7	0	0	72	0	2	1
B-C	0.0	0.0	-1.3282	-1.3282	5	0	0	78	1	1	1
B-D	0.0	0.0	-96.7671	-96.7671	70	5	5	4190	0	15	11
C-D	-102.2669	-102.769	-604.799	-809.835	163	37	9	22345	7	34	36

Interface residues

• A-B: ALA102B, ALA105B, ALA124A, ALA127B, ALA166A, ALA169B, ALA170A, ALA174B, ALA189A, ALA190A, ALA198A, ALA244A, ALA248A, ALA251A, ALA254A, ALA30B, ALA34B, ALA38B, ARG109B, ARG174A, ARG175A, ARG180B, ARG193A, ARG195A, ARG238A, ARG241A, ARG35B, ARG54B, ARG62B, ARG68B, ARG86B, ASN107B, ASN124B, ASN179A, ASN184B, ASN69B, ASN70B, ASP115B, ASP132B, ASP168B, ASP180A, ASP203A, ASP235A, ASP246A, ASP32B, ASP37B, ASP58B, CYS125B, CYS128B, CYS175B, CYS183A, CYS186A, CYS64B, GLN105A, GLN106B, GLN112B, GLN130B, GLN160A, GLN170B, GLN197A, GLN239A, GLN56B, GLN57B, GLN61B, GLU135B, GLU163A, GLU169A, GLU250A, GLU52B, GLY108B, GLY110B, GLY111B, GLY122B, GLY123B, GLY139B, GLY142B, GLY168A, GLY185B, GLY188A, GLY191A, GLY50B, HIS129B, HIS187A, ILE167A, ILE178A, ILE194A, ILE63B, ILE79B, LEU131B, LEU141B, LEU171A, LEU173B, LEU187B, LEU196A, LEU199A, LEU255A, LEU47B, LEU55B, LYS162A, LYS192A, LYS41B, LYS46B, LYS99A, MET164A, MET178B, MET233A, MET236A, MET240A, MET242A, PHE113B, PHE127A, PHE172A, PHE173A, PHE181A, PHE181B, PHE44B, PRO116B, PRO159A, PRO179B, PRO243A, PRO245A, PRO33B, PRO48B, PRO71B, SER114B, SER121B, SER137B, SER176A, SER176B, SER177A, SER177B, SER182A, SER184A, SER249A, SER43B, SER53B, SER65B, THR119B, THR140B, THR185A, THR253A, THR42B, THR45B, THR60B, THR67B, TRP234A, TRP51B, TYR126B, TYR138B, TYR165A, TYR237A, TYR247A, TYR258A, VAL123A, VAL136B, VAL183B, VAL186B, VAL252A, VAL31B, VAL36B, VAL39B, VAL40B, VAL66B
• A-D: ALA189A, ARG175A, GLU74D, LYS192A, PRO73D, SER29D, VAL204A
• B-C: ALA189C, ARG175C, GLU74B, LYS192C, PRO73B
• B-D: ALA171B, ALA171D, ALA174B, ALA174D, ALA76B, ALA76D, ALA77B, ALA77D, ALA78B, ALA78D, ARG152B, ARG152D, ARG68B, ARG68D, ASN69B, ASN69D, ASN70B, ASN70D, CYS175B, CYS175D, CYS64B, CYS64D, GLN170B, GLN75B, GLN75D, GLU151B, GLU151D, GLU157D, GLU74B, GLU74D, GLU84D, GLY142B, GLY142D, ILE161B, ILE79B, ILE79D, LEU141B, LEU141D, LEU145D, LEU173B, LEU173D, LYS160B, LYS165B, LYS165D, LYS81B, LYS81D, MET178B, MET178D, MET80B, MET80D, PRO143B, PRO143D, PRO71B, PRO71D, PRO73B, PRO73D, SER144B, SER172B, SER172D, SER176B, SER176D, SER177B, SER177D, SER72B, SER72D, THR140D, THR67B, THR67D, TYR148B, TYR148D
• C-D: ALA105D, ALA124C, ALA127D, ALA166C, ALA169D, ALA170C, ALA174D, ALA189C, ALA190C, ALA198C, ALA244C, ALA248C, ALA251C, ALA254C, ALA30D, ALA34D, ALA38D, ARG109D, ARG174C, ARG175C, ARG180D, ARG193C, ARG195C, ARG238C, ARG241C, ARG35D, ARG54D, ARG62D, ARG68D, ARG86D, ASN107D, ASN124D, ASN179C, ASN184D, ASN69D, ASN70D, ASP115D, ASP168D, ASP180C, ASP203C, ASP235C, ASP246C, ASP32D, ASP37D, ASP58D, CYS125D, CYS128D, CYS175D, CYS186C, CYS64D, GLN106D, GLN112D, GLN130D, GLN160C, GLN170D, GLN197C, GLN239C, GLN262C, GLN56D, GLN57D, GLN61D, GLU135D, GLU163C, GLU169C, GLU250C, GLU52D, GLU83D, GLY108D, GLY110D, GLY111D, GLY122D, GLY123D, GLY139D, GLY142D, GLY168C, GLY185D, GLY188C, GLY191C, HIS129D, HIS187C, ILE167C, ILE178C, ILE194C, ILE63D, ILE79D, LEU131D, LEU141D, LEU171C, LEU173D, LEU187D, LEU196C, LEU199C, LEU255C, LEU47D, LEU55D, LYS120C, LYS162C, LYS192C, LYS41D, LYS46D, MET164C, MET178D, MET233C, MET236C, MET240C, MET242C, PHE113D, PHE127C, PHE172C, PHE173C, PHE181C, PHE181D, PHE44D, PRO143D, PRO179D, PRO205C, PRO243C, PRO245C, PRO33D, PRO48D, PRO71D, SER114D, SER121D, SER137D, SER176C, SER176D, SER177C, SER177D, SER182C, SER184C, SER249C, SER43D, SER53D, SER65D, THR119D, THR140D, THR185C, THR253C, THR42D, THR45D, THR60D, THR67D, TRP234C, TRP51D, TYR126D, TYR138D, TYR165C, TYR237C, TYR247C, TYR258C, VAL104D, VAL120D, VAL123C, VAL136D, VAL183D, VAL186D, VAL204C, VAL252C, VAL31D, VAL36D, VAL39D, VAL40D, VAL66D