3HU1

structure of p97 n-d1 r95g mutant in complex with atpgs

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 193
  • Norm. En. per Res.: -3.9217
• Hub Node: A(4)

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	-53.2833	-287.5534	-416.051	-756.8877	193	20	11	18599	16	129	91
A-C	0.0	0.0	-0.0027	-0.0027	2	0	0	2	0	1	3
A-E	0.0	0.0	-0.0049	-0.0049	2	0	0	3	0	1	4
A-F	-62.0898	-270.8793	-399.187	-732.1561	187	13	14	18212	14	126	86
B-C	-67.3841	-260.6197	-399.062	-727.0658	189	15	12	18069	17	126	88
B-D	0.0	0.0	-0.0044	-0.0044	2	0	0	3	0	1	4
B-F	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	1	3
C-D	-49.8199	-278.8858	-404.91	-733.6157	189	14	11	18214	17	127	89
C-E	0.0	0.0	-0.0042	-0.0042	2	0	0	3	0	1	3
D-E	-60.4547	-261.6807	-407.778	-729.9134	189	10	12	18396	15	127	90
D-F	0.0	0.0	-0.0043	-0.0043	2	0	0	3	0	1	3
E-F	-47.8066	-252.9589	-405.608	-706.3735	191	11	12	18243	14	127	90

Interface residues

• A-B: ALA15B, ALA214B, ALA228B, ALA232B, ALA279A, ALA279B, ALA308A, ALA339B, ALA356B, ALA409A, ALA412A, ALA413A, ALA418A, ALA419A, ALA422A, ALA446A, ARG191A, ARG225B, ARG22B, ARG239B, ARG256A, ARG25B, ARG287B, ARG313B, ARG322A, ARG322B, ARG323A, ARG323B, ARG338B, ARG349A, ARG359B, ARG362B, ARG365B, ARG424A, ARG64B, ASN199A, ASN21B, ASN24B, ASN270A, ASN348A, ASN387A, ASN443A, ASP193A, ASP304A, ASP307A, ASP333B, ASP354B, ASP364B, ASP410A, ASP428A, ASP431A, ASP434A, ASP438A, ASP451A, CYS415A, GLN103B, GLN19B, GLN215B, GLN327B, GLN337B, GLN421A, GLN458A, GLU192A, GLU194A, GLU195A, GLU196A, GLU200A, GLU218B, GLU221B, GLU261B, GLU273A, GLU281A, GLU283B, GLU305A, GLU314B, GLU319A, GLU319B, GLU321A, GLU417A, GLU433A, GLU435A, GLY234B, GLY248A, GLY263B, GLY271A, GLY280A, GLY280B, GLY318A, GLY318B, GLY334B, GLY361B, GLY408A, GLY61B, HIS226B, HIS317A, HIS317B, HIS340B, HIS384A, ILE16B, ILE189A, ILE216B, ILE233B, ILE274A, ILE309A, ILE324A, ILE324B, ILE423A, ILE430A, ILE437A, LEU12B, LEU17B, LEU222B, LEU224B, LEU229B, LEU253A, LEU278A, LEU328B, LEU329B, LEU331B, LEU335B, LEU390A, LEU411A, LEU414A, LEU420A, LEU429A, LEU432A, LEU445A, LYS18B, LYS190A, LYS20B, LYS211B, LYS217B, LYS231B, LYS236B, LYS251A, LYS277A, LYS315A, LYS315B, LYS336B, LYS386A, LYS389A, LYS425A, LYS426A, LYS60B, LYS62B, MET219B, MET275A, MET388A, MET427A, MET442A, PHE230B, PHE360B, PRO223B, PRO227B, PRO237B, PRO238B, PRO246A, PRO247A, PRO272A, PRO311A, PRO355B, SER101B, SER13B, SER197A, SER276A, SER282A, SER326B, SER352A, SER416A, SER444A, SER462A, THR14B, THR252A, THR262B, THR316A, THR316B, THR330B, THR347A, THR385A, THR436A, THR448A, TRP454A, TYR203B, VAL201A, VAL220B, VAL235B, VAL320A, VAL320B, VAL325B, VAL407A, VAL441A, VAL447A, VAL99B
• A-C: HIS317A, HIS317C
• A-E: HIS317A, HIS317E
• A-F: ALA15A, ALA214A, ALA228A, ALA232A, ALA279A, ALA279F, ALA308F, ALA339A, ALA356A, ALA409F, ALA412F, ALA413F, ALA418F, ALA419F, ALA422F, ALA446F, ARG191F, ARG225A, ARG22A, ARG239A, ARG256F, ARG25A, ARG287A, ARG313A, ARG322A, ARG322F, ARG323A, ARG323F, ARG338A, ARG349F, ARG359A, ARG362A, ARG365A, ARG424F, ASN199F, ASN21A, ASN24A, ASN270F, ASN348F, ASN387F, ASN443F, ASP193F, ASP304F, ASP307F, ASP333A, ASP354A, ASP364A, ASP410F, ASP428F, ASP431F, ASP434F, ASP438F, ASP451F, CYS415F, GLN103A, GLN19A, GLN215A, GLN327A, GLN337A, GLN421F, GLN458F, GLU192F, GLU194F, GLU195F, GLU196F, GLU218A, GLU221A, GLU261A, GLU273F, GLU281F, GLU283A, GLU305F, GLU314A, GLU319A, GLU319F, GLU321F, GLU417F, GLU433F, GLU435F, GLY234A, GLY248F, GLY263A, GLY271F, GLY280A, GLY318A, GLY318F, GLY334A, GLY361A, GLY408F, GLY61A, HIS226A, HIS317A, HIS317F, HIS340A, HIS384F, ILE16A, ILE216A, ILE233A, ILE274F, ILE309F, ILE324A, ILE324F, ILE423F, ILE430F, ILE437F, LEU12A, LEU17A, LEU222A, LEU224A, LEU229A, LEU253F, LEU278F, LEU328A, LEU329A, LEU331A, LEU390F, LEU411F, LEU414F, LEU420F, LEU429F, LEU432F, LEU445F, LYS18A, LYS190F, LYS20A, LYS211A, LYS217A, LYS231A, LYS236A, LYS251F, LYS277F, LYS312A, LYS315A, LYS315F, LYS336A, LYS386F, LYS389F, LYS425F, LYS426F, LYS60A, MET219A, MET275F, MET388F, MET427F, MET442F, PHE230A, PHE360A, PRO223A, PRO227A, PRO237A, PRO238A, PRO246F, PRO247F, PRO272F, PRO311F, PRO355A, SER101A, SER13A, SER197F, SER276F, SER282F, SER326A, SER352F, SER416F, SER444F, SER462F, THR14A, THR252F, THR262A, THR316A, THR316F, THR330A, THR347F, THR385F, THR436F, THR448F, TRP454F, TYR203A, VAL201F, VAL220A, VAL235A, VAL320A, VAL320F, VAL325A, VAL407F, VAL441F, VAL447F
• B-C: ALA15C, ALA214C, ALA228C, ALA232C, ALA279B, ALA279C, ALA308B, ALA339C, ALA356C, ALA409B, ALA412B, ALA413B, ALA418B, ALA419B, ALA422B, ALA446B, ARG191B, ARG225C, ARG22C, ARG239C, ARG256B, ARG25C, ARG287C, ARG313C, ARG322B, ARG322C, ARG323B, ARG323C, ARG338C, ARG349B, ARG359C, ARG362C, ARG365C, ARG424B, ARG64C, ASN199B, ASN21C, ASN24C, ASN270B, ASN348B, ASN387B, ASN443B, ASP193B, ASP304B, ASP307B, ASP333C, ASP354C, ASP364C, ASP410B, ASP428B, ASP431B, ASP434B, ASP438B, ASP451B, CYS415B, GLN103C, GLN19C, GLN215C, GLN327C, GLN337C, GLN421B, GLN458B, GLU192B, GLU194B, GLU195B, GLU196B, GLU218C, GLU221C, GLU261C, GLU273B, GLU281B, GLU283C, GLU305B, GLU314C, GLU319B, GLU319C, GLU321B, GLU417B, GLU433B, GLU435B, GLY234C, GLY248B, GLY263C, GLY271B, GLY280C, GLY318B, GLY318C, GLY334C, GLY361C, GLY408B, GLY61C, HIS226C, HIS317B, HIS317C, HIS340C, HIS384B, ILE16C, ILE216C, ILE233C, ILE274B, ILE309B, ILE324B, ILE324C, ILE423B, ILE430B, ILE437B, LEU12C, LEU17C, LEU222C, LEU224C, LEU229C, LEU253B, LEU278B, LEU306B, LEU328C, LEU329C, LEU331C, LEU390B, LEU411B, LEU414B, LEU420B, LEU429B, LEU432B, LEU445B, LYS18C, LYS190B, LYS20C, LYS211C, LYS217C, LYS231C, LYS236C, LYS251B, LYS277B, LYS312C, LYS315B, LYS315C, LYS336C, LYS386B, LYS389B, LYS425B, LYS426B, LYS60C, LYS62C, MET219C, MET275B, MET388B, MET427B, MET442B, PHE230C, PHE360C, PRO223C, PRO227C, PRO237C, PRO238C, PRO246B, PRO247B, PRO272B, PRO311B, PRO355C, SER101C, SER13C, SER197B, SER276B, SER282B, SER326C, SER352B, SER416B, SER444B, SER462B, THR14C, THR252B, THR262C, THR316B, THR316C, THR330C, THR385B, THR436B, THR448B, TRP454B, TYR203C, VAL201B, VAL220C, VAL235C, VAL320B, VAL320C, VAL325C, VAL407B, VAL441B, VAL447B
• B-D: HIS317B, HIS317D
• B-F: HIS317B, HIS317F
• C-D: ALA15D, ALA214D, ALA228D, ALA232D, ALA279C, ALA279D, ALA308C, ALA339D, ALA356D, ALA409C, ALA412C, ALA413C, ALA418C, ALA419C, ALA422C, ALA446C, ARG191C, ARG225D, ARG22D, ARG239D, ARG256C, ARG25D, ARG287D, ARG313D, ARG322C, ARG322D, ARG323C, ARG323D, ARG338D, ARG349C, ARG359D, ARG362D, ARG365D, ARG424C, ARG64D, ASN199C, ASN21D, ASN24D, ASN270C, ASN348C, ASN387C, ASN443C, ASP193C, ASP304C, ASP307C, ASP333D, ASP354D, ASP364D, ASP410C, ASP428C, ASP431C, ASP434C, ASP438C, ASP451C, CYS415C, GLN103D, GLN19D, GLN215D, GLN327D, GLN337D, GLN421C, GLN458C, GLU192C, GLU194C, GLU195C, GLU196C, GLU200C, GLU218D, GLU221D, GLU261D, GLU273C, GLU281C, GLU283D, GLU305C, GLU314D, GLU319C, GLU319D, GLU321C, GLU417C, GLU433C, GLU435C, GLY234D, GLY248C, GLY263D, GLY271C, GLY280D, GLY318C, GLY318D, GLY334D, GLY361D, GLY408C, GLY61D, HIS226D, HIS317C, HIS317D, HIS340D, HIS384C, ILE16D, ILE189C, ILE216D, ILE233D, ILE274C, ILE309C, ILE324C, ILE324D, ILE423C, ILE430C, ILE437C, LEU12D, LEU17D, LEU222D, LEU224D, LEU229D, LEU253C, LEU278C, LEU328D, LEU329D, LEU331D, LEU390C, LEU411C, LEU414C, LEU420C, LEU429C, LEU432C, LEU445C, LYS18D, LYS190C, LYS20D, LYS211D, LYS217D, LYS231D, LYS236D, LYS251C, LYS277C, LYS315C, LYS315D, LYS336D, LYS386C, LYS389C, LYS425C, LYS426C, LYS60D, LYS62D, MET219D, MET275C, MET388C, MET427C, MET442C, PHE230D, PHE360D, PRO223D, PRO227D, PRO237D, PRO238D, PRO246C, PRO247C, PRO272C, PRO311C, PRO355D, SER101D, SER13D, SER197C, SER276C, SER282C, SER326D, SER352C, SER416C, SER444C, SER462C, THR14D, THR252C, THR262D, THR316C, THR316D, THR330D, THR385C, THR436C, THR448C, TRP454C, TYR203D, VAL201C, VAL220D, VAL235D, VAL320C, VAL320D, VAL325D, VAL407C, VAL441C, VAL447C
• C-E: HIS317C, HIS317E
• D-E: ALA15E, ALA214E, ALA228E, ALA232E, ALA279D, ALA279E, ALA308D, ALA339E, ALA356E, ALA409D, ALA412D, ALA413D, ALA418D, ALA419D, ALA422D, ALA446D, ARG191D, ARG225E, ARG22E, ARG239E, ARG256D, ARG25E, ARG287E, ARG313E, ARG322D, ARG322E, ARG323D, ARG323E, ARG338E, ARG349D, ARG359E, ARG362E, ARG365E, ARG424D, ARG64E, ASN199D, ASN21E, ASN24E, ASN270D, ASN348D, ASN387D, ASN443D, ASP193D, ASP304D, ASP307D, ASP333E, ASP354E, ASP364E, ASP410D, ASP428D, ASP431D, ASP434D, ASP438D, ASP451D, CYS415D, GLN103E, GLN19E, GLN215E, GLN327E, GLN337E, GLN421D, GLN458D, GLU192D, GLU194D, GLU195D, GLU196D, GLU200D, GLU218E, GLU221E, GLU261E, GLU273D, GLU281D, GLU283E, GLU305D, GLU314E, GLU319D, GLU319E, GLU321D, GLU417D, GLU433D, GLU435D, GLY234E, GLY248D, GLY263E, GLY271D, GLY280E, GLY318D, GLY318E, GLY334E, GLY361E, GLY408D, GLY61E, HIS226E, HIS317D, HIS317E, HIS340E, HIS384D, ILE16E, ILE216E, ILE233E, ILE274D, ILE309D, ILE324D, ILE324E, ILE423D, ILE430D, ILE437D, LEU12E, LEU17E, LEU222E, LEU224E, LEU229E, LEU253D, LEU278D, LEU328E, LEU329E, LEU331E, LEU390D, LEU411D, LEU414D, LEU420D, LEU429D, LEU432D, LEU445D, LYS18E, LYS190D, LYS20E, LYS211E, LYS217E, LYS231E, LYS236E, LYS251D, LYS277D, LYS312E, LYS315D, LYS315E, LYS336E, LYS386D, LYS389D, LYS425D, LYS426D, LYS60E, LYS62E, MET219E, MET275D, MET388D, MET427D, MET442D, PHE230E, PHE360E, PRO223E, PRO227E, PRO237E, PRO238E, PRO246D, PRO247D, PRO272D, PRO311D, PRO355E, SER101E, SER13E, SER197D, SER276D, SER282D, SER326E, SER352D, SER416D, SER444D, SER462D, THR14E, THR252D, THR262E, THR316D, THR316E, THR330E, THR385D, THR436D, THR448D, TRP454D, TYR203E, VAL201D, VAL220E, VAL235E, VAL320D, VAL320E, VAL325E, VAL407D, VAL441D, VAL447D
• D-F: HIS317D, HIS317F
• E-F: ALA15F, ALA214F, ALA228F, ALA232F, ALA279E, ALA279F, ALA308E, ALA339F, ALA356F, ALA409E, ALA412E, ALA413E, ALA418E, ALA419E, ALA422E, ALA446E, ARG191E, ARG225F, ARG22F, ARG239F, ARG256E, ARG25F, ARG287F, ARG313F, ARG322E, ARG322F, ARG323E, ARG323F, ARG338F, ARG349E, ARG359F, ARG362F, ARG365F, ARG424E, ARG64F, ASN199E, ASN21F, ASN24F, ASN270E, ASN348E, ASN387E, ASN443E, ASP193E, ASP304E, ASP307E, ASP333F, ASP354F, ASP364F, ASP410E, ASP428E, ASP431E, ASP434E, ASP438E, ASP451E, CYS415E, GLN103F, GLN19F, GLN215F, GLN327F, GLN337F, GLN421E, GLN458E, GLU192E, GLU194E, GLU195E, GLU196E, GLU200E, GLU218F, GLU221F, GLU261F, GLU273E, GLU281E, GLU283F, GLU305E, GLU314F, GLU319E, GLU319F, GLU321E, GLU417E, GLU433E, GLU435E, GLY234F, GLY248E, GLY263F, GLY271E, GLY280E, GLY280F, GLY318E, GLY318F, GLY334F, GLY361F, GLY408E, GLY61F, HIS226F, HIS317E, HIS317F, HIS340F, HIS384E, ILE16F, ILE216F, ILE233F, ILE274E, ILE309E, ILE324E, ILE324F, ILE423E, ILE430E, ILE437E, LEU12F, LEU17F, LEU213F, LEU222F, LEU224F, LEU229F, LEU253E, LEU278E, LEU328F, LEU329F, LEU331F, LEU390E, LEU411E, LEU414E, LEU420E, LEU429E, LEU432E, LEU445E, LYS18F, LYS190E, LYS20F, LYS211F, LYS217F, LYS231F, LYS236F, LYS251E, LYS277E, LYS315E, LYS315F, LYS336F, LYS386E, LYS389E, LYS425E, LYS426E, LYS60F, LYS62F, MET219F, MET275E, MET388E, MET427E, MET442E, PHE230F, PHE360F, PRO223F, PRO227F, PRO237F, PRO238F, PRO246E, PRO247E, PRO272E, PRO311E, PRO355F, SER101F, SER13F, SER197E, SER276E, SER282E, SER326F, SER352E, SER416E, SER444E, SER462E, THR14F, THR252E, THR262F, THR316E, THR316F, THR330F, THR385E, THR436E, THR448E, TRP454E, TYR203F, VAL201E, VAL220F, VAL235F, VAL320E, VAL320F, VAL325F, VAL407E, VAL441E, VAL447E, VAL99F