3HDI

crystal structure of bacillus halodurans metallo peptidase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 259
  • Norm. En. per Res.: -3.3879
• 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	-122.1986	-12.4693	-742.797	-877.4649	259	49	4	28606	6	147	144
A-C	0.0	0.0	-128.477	-128.477	75	7	10	5367	0	0	0
A-D	-2.6831	0.0	-44.6998	-47.3829	31	0	0	1775	0	0	0
B-C	-3.0492	0.0	-34.0706	-37.1198	19	5	3	1289	0	0	0
B-D	-5.2127	0.0	-178.455	-183.6677	80	11	12	6654	0	0	0

Interface residues

• A-B: ALA235A, ALA235B, ALA403A, ALA403B, ALA61A, ALA61B, ALA65A, ALA65B, ALA77B, ALA88A, ALA88B, ARG120A, ARG120B, ARG228A, ARG228B, ARG22A, ARG22B, ARG268A, ARG268B, ARG274A, ARG274B, ARG277A, ARG277B, ARG352A, ASN191A, ASN191B, ASN259A, ASN259B, ASN333A, ASN333B, ASN350A, ASN350B, ASN402A, ASN402B, ASN76A, ASN76B, ASP131A, ASP131B, ASP132A, ASP132B, ASP135A, ASP135B, ASP136A, ASP136B, ASP272A, ASP272B, ASP305A, ASP305B, ASP309A, ASP309B, ASP69A, ASP69B, ASP92A, ASP92B, ASP93A, ASP93B, CYS280A, CYS280B, GLN234A, GLN234B, GLN271A, GLN271B, GLN306A, GLN306B, GLN337A, GLN337B, GLN62A, GLN62B, GLN74A, GLN74B, GLU114A, GLU114B, GLU115A, GLU115B, GLU117A, GLU117B, GLU119A, GLU119B, GLU125A, GLU125B, GLU126A, GLU126B, GLU231A, GLU231B, GLU233A, GLU233B, GLU275A, GLU275B, GLU330A, GLU330B, GLU332A, GLU332B, GLU336A, GLU336B, GLU347A, GLU347B, GLU49A, GLU49B, GLU63A, GLU63B, GLU66A, GLU66B, GLY190A, GLY190B, GLY263A, GLY263B, GLY278A, GLY278B, GLY301A, GLY301B, GLY303A, GLY303B, GLY334A, GLY334B, GLY340A, GLY340B, GLY72A, GLY72B, GLY73A, GLY73B, HIS236A, HIS236B, HIS304A, HIS304B, HIS46A, HIS46B, HIS50A, HIS50B, HIS94A, HIS94B, ILE127A, ILE127B, ILE137B, ILE273A, ILE273B, ILE401A, ILE401B, ILE64A, ILE64B, ILE71A, ILE71B, LEU157A, LEU157B, LEU279A, LEU279B, LEU310A, LEU310B, LEU338A, LEU338B, LEU342A, LEU342B, LEU344A, LEU344B, LEU346A, LEU346B, LEU369A, LEU91A, LEU91B, LYS118A, LYS118B, LYS121A, LYS121B, LYS128A, LYS128B, LYS229A, LYS229B, LYS230A, LYS230B, LYS276A, LYS276B, LYS329A, LYS329B, LYS335A, LYS335B, LYS339A, LYS339B, LYS54A, LYS54B, LYS89A, LYS89B, MET105A, MET129A, MET129B, MET18A, MET18B, MET265A, MET265B, MET343A, MET343B, PHE124A, PHE124B, PHE270A, PHE270B, PHE284A, PHE284B, PHE53A, PHE53B, PHE67A, PHE67B, PHE68A, PHE68B, PRO134A, PRO134B, SER19A, SER19B, SER23A, SER23B, SER25A, SER25B, SER264A, SER264B, SER266A, SER266B, SER267A, SER267B, SER282A, SER282B, SER341A, SER341B, SER345A, SER345B, SER348A, SER348B, SER60A, SER60B, SER70A, SER70B, THR133A, THR133B, THR20A, THR20B, THR232A, THR232B, THR302A, THR302B, THR327A, THR349A, THR349B, TYR281A, TYR281B, TYR299A, TYR299B, VAL122A, VAL122B, VAL123A, VAL123B, VAL130A, VAL130B, VAL160A, VAL21A, VAL21B, VAL24A, VAL24B, VAL283A, VAL283B, VAL75A, VAL75B, VAL90A, VAL90B
• A-C: ALA10C, ALA11C, ALA12C, ALA13C, ALA14C, ALA15C, ALA16C, ALA17C, ALA4C, ALA5C, ALA6C, ALA77A, ALA7C, ALA8C, ALA9C, ARG355A, ARG367A, ASN356A, ASN359A, ASN76A, ASP131A, ASP135A, ASP136A, ASP140A, CYS238A, CYS85A, GLU119A, GLU126A, GLU49A, HIS139A, HIS287A, HIS46A, HIS50A, ILE127A, ILE137A, ILE156A, ILE246A, LEU142A, LEU157A, LEU338A, LEU342A, LEU362A, LEU363A, LYS358A, LYS81A, MET129A, MET372A, PHE284A, PHE290A, PHE53A, PHE78A, SER285A, SER288A, SER289A, SER351A, SER354A, SER80A, THR133A, THR297A, THR79A, THR84A, TRP29A, TYR252A, TYR286A, TYR299A, TYR83A, TYR86A, TYR87A, VAL122A, VAL123A, VAL130A, VAL138A, VAL251A, VAL255A, VAL75A
• A-D: ALA12D, ALA13D, ALA14D, ALA15D, ALA16D, ALA17D, ALA1D, ALA2D, ALA3D, ARG274A, ARG352A, ASN350A, GLN74A, GLU347A, LEU344A, LYS89A, MET265A, MET353A, PHE270A, PHE284A, SER25A, SER282A, SER345A, SER348A, SER351A, SER354A, THR349A, TYR281A, TYR87A, VAL21A, VAL283A
• B-C: ALA11C, ALA12C, ALA13C, ALA14C, ALA15C, ALA16C, ALA17C, ALA300B, ARG274B, CYS280B, GLY301B, MET265B, PHE270B, PHE284B, SER264B, SER282B, TYR281B, TYR299B, VAL283B
• B-D: ALA10D, ALA11D, ALA12D, ALA13D, ALA14D, ALA15D, ALA16D, ALA17D, ALA1D, ALA2D, ALA3D, ALA4D, ALA5D, ALA6D, ALA77B, ALA7D, ALA8D, ALA9D, ARG352B, ARG355B, ASN350B, ASN76B, ASP131B, ASP135B, ASP136B, ASP140B, CYS238B, CYS85B, GLN74B, GLU119B, GLU126B, GLU347B, GLU49B, HIS139B, HIS287B, HIS46B, HIS50B, ILE127B, ILE137B, ILE156B, LEU141B, LEU157B, LEU344B, LEU346B, LYS358B, LYS81B, LYS89B, MET129B, MET353B, PHE284B, PHE53B, PHE78B, PRO134B, PRO155B, SER143B, SER23B, SER25B, SER285B, SER288B, SER345B, SER348B, SER351B, SER354B, SER80B, THR133B, THR297B, THR349B, THR79B, THR84B, TRP29B, TYR286B, TYR299B, TYR83B, TYR86B, TYR87B, VAL122B, VAL123B, VAL130B, VAL138B, VAL75B