2A3V

structural basis for broad dna-specificity in integron recombination

• Total interactions analyzed: 28
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 192
  • Norm. En. per Res.: -3.1378
• 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	-23.2285	27.7373	-202.94	-198.4312	90	11	5	9149	2	18	19
A-D	-35.9585	-51.0366	-473.085	-560.0801	185	31	12	20279	7	58	74
B-C	-37.9052	-47.6943	-516.864	-602.4635	192	35	11	21181	6	59	76
C-D	-17.1828	23.897	-211.827	-205.1128	97	11	6	9674	2	24	23

Interface residues

• A-B: ALA153B, ALA170B, ALA274B, ALA282A, ALA282B, ARG108B, ARG112B, ARG113B, ARG270B, ARG285A, ARG285B, ARG319A, ASN164B, ASP109B, ASP283A, ASP283B, ASP295A, ASP295B, GLN123B, GLN288A, GLN288B, GLN290B, GLN300A, GLN300B, GLU110B, GLU172B, GLU279B, GLU289B, GLU81B, GLU90A, GLY131B, GLY133B, GLY152B, GLY281B, GLY312A, HIS276B, HIS293B, HIS304A, ILE111B, ILE126B, ILE284A, ILE284B, LEU106B, LEU114B, LEU115B, LEU124B, LEU128B, LEU129B, LEU169B, LEU173B, LEU269B, LEU277B, LEU278A, LEU278B, LEU314A, LEU317A, LEU320A, LEU89A, LYS127B, LYS163B, LYS171B, LYS297A, LYS297B, LYS80B, PHE273B, PRO316A, SER132B, SER272B, SER311A, SER315A, SER318A, THR107B, THR166B, THR168B, THR275B, THR286A, THR286B, THR294B, THR298B, THR299A, THR299B, THR303A, TYR130B, TYR151B, VAL167B, VAL280B, VAL287B, VAL296A, VAL296B, VAL313A
• A-D: ALA153A, ALA170A, ALA19A, ALA205A, ALA213A, ALA255D, ALA274A, ALA282A, ALA310D, ALA58D, ALA64D, ARG100D, ARG108A, ARG108D, ARG10A, ARG112A, ARG155A, ARG165A, ARG16A, ARG218A, ARG252D, ARG285A, ARG308D, ARG319D, ARG32D, ARG92D, ARG95D, ASN164A, ASN212A, ASP109A, ASP109D, ASP146A, ASP148A, ASP150A, ASP283A, ASP307D, GLN123A, GLN145A, GLN14A, GLN158A, GLN256D, GLN288A, GLN290A, GLN60D, GLN68D, GLN94D, GLN97D, GLU110D, GLU11A, GLU172A, GLU208A, GLU216A, GLU233A, GLU261D, GLU279A, GLU279D, GLU289A, GLU51D, GLU52D, GLU81A, GLU90D, GLU99D, GLY131A, GLY133A, GLY152A, GLY159A, GLY161A, GLY162A, GLY281A, GLY292A, GLY309D, GLY312D, GLY61D, HIS176A, HIS271D, HIS276A, HIS276D, HIS304D, ILE111A, ILE126A, ILE147A, ILE154A, ILE156A, ILE181A, ILE23A, ILE260D, ILE301D, ILE91D, LEU102D, LEU106D, LEU115A, LEU124A, LEU128A, LEU129A, LEU169A, LEU173A, LEU202A, LEU206A, LEU277A, LEU278A, LEU278D, LEU306D, LEU314D, LEU317D, LEU320D, LEU54D, LEU57D, LEU7A, LEU89D, LEU98D, LYS101D, LYS127A, LYS160A, LYS163A, LYS171A, LYS207A, LYS209A, LYS20A, LYS262D, LYS62D, LYS66D, LYS80A, LYS84A, MET13A, PHE12A, PHE149A, PHE217A, PHE273A, PHE53D, PHE77A, PHE93D, PRO103D, PRO203A, PRO211A, PRO316D, SER132A, SER272A, SER272D, SER311D, SER315D, SER318D, SER69D, SER8A, SER96D, THR107A, THR107D, THR15A, THR166A, THR168A, THR204A, THR22A, THR263D, THR265D, THR275A, THR275D, THR286A, THR294A, THR303D, THR55D, THR65D, THR67D, TRP157A, TRP201A, TRP219A, TRP29D, TYR130A, TYR151A, TYR174A, TYR17A, TYR18A, TYR210A, TYR302D, TYR56D, VAL104D, VAL105D, VAL144A, VAL167A, VAL264D, VAL280A, VAL287A, VAL305D, VAL313D, VAL50D, VAL59D, VAL63D
• B-C: ALA153C, ALA170C, ALA19C, ALA205C, ALA213C, ALA255B, ALA274C, ALA282C, ALA310B, ALA58B, ALA64B, ARG100B, ARG108B, ARG108C, ARG10C, ARG112C, ARG113C, ARG155C, ARG165C, ARG16C, ARG218C, ARG252B, ARG270C, ARG285C, ARG308B, ARG319B, ARG32B, ARG92B, ARG95B, ASN164C, ASN212C, ASP109B, ASP109C, ASP146C, ASP148C, ASP150C, ASP283C, ASP307B, GLN123C, GLN145C, GLN14C, GLN158C, GLN256B, GLN288C, GLN290C, GLN60B, GLN68B, GLN94B, GLN97B, GLU110B, GLU110C, GLU11C, GLU172C, GLU208C, GLU216C, GLU233C, GLU261B, GLU279B, GLU279C, GLU289C, GLU51B, GLU52B, GLU81C, GLU90B, GLU99B, GLY131C, GLY133C, GLY152C, GLY159C, GLY161C, GLY162C, GLY281C, GLY292C, GLY309B, GLY312B, GLY61B, HIS176C, HIS271B, HIS276B, HIS276C, HIS293C, HIS304B, ILE111C, ILE126C, ILE147C, ILE154C, ILE156C, ILE181C, ILE23C, ILE260B, ILE301B, ILE91B, LEU102B, LEU106B, LEU115C, LEU124C, LEU128C, LEU129C, LEU169C, LEU173C, LEU202C, LEU206C, LEU269C, LEU277C, LEU278B, LEU278C, LEU291C, LEU306B, LEU314B, LEU317B, LEU320B, LEU54B, LEU57B, LEU7C, LEU89B, LEU98B, LYS101B, LYS127C, LYS160C, LYS163C, LYS171C, LYS185C, LYS207C, LYS209C, LYS20C, LYS262B, LYS62B, LYS66B, LYS80C, LYS84C, MET13C, PHE12C, PHE149C, PHE217C, PHE273C, PHE53B, PHE77C, PHE93B, PRO103B, PRO203C, PRO211C, PRO316B, SER132C, SER272B, SER272C, SER311B, SER315B, SER318B, SER69B, SER8C, SER96B, THR107B, THR107C, THR15C, THR166C, THR168C, THR204C, THR22C, THR263B, THR265B, THR275B, THR275C, THR286C, THR294C, THR303B, THR55B, THR65B, THR67B, TRP157C, TRP201C, TRP219C, TRP29B, TYR130C, TYR151C, TYR174C, TYR17C, TYR18C, TYR210C, TYR302B, TYR56B, VAL104B, VAL105B, VAL144C, VAL167C, VAL264B, VAL280C, VAL287C, VAL305B, VAL313B, VAL50B, VAL59B, VAL63B
• C-D: ALA153D, ALA170D, ALA274D, ALA282C, ALA282D, ALA310C, ARG108D, ARG112D, ARG113D, ARG155D, ARG165D, ARG285C, ARG285D, ARG308C, ARG319C, ARG92C, ASN164D, ASP109D, ASP148D, ASP150D, ASP283C, ASP283D, ASP295C, ASP295D, GLN123D, GLN288C, GLN288D, GLN290D, GLN300C, GLN300D, GLU110D, GLU172D, GLU289D, GLU81D, GLU90C, GLY131D, GLY133D, GLY152D, GLY281C, GLY281D, GLY309C, GLY312C, HIS276D, HIS293D, HIS304C, ILE111D, ILE126D, ILE284C, ILE284D, LEU114D, LEU115D, LEU124D, LEU128D, LEU129D, LEU169D, LEU173D, LEU269D, LEU277D, LEU278C, LEU278D, LEU314C, LEU317C, LEU320C, LEU89C, LYS127D, LYS163D, LYS171D, LYS297C, LYS297D, LYS80D, PHE273D, PRO316C, SER132D, SER272D, SER311C, SER315C, SER318C, THR107D, THR166D, THR168D, THR275D, THR286C, THR286D, THR294D, THR298D, THR299C, THR299D, THR303C, TYR130D, TYR151D, VAL167D, VAL280D, VAL287C, VAL287D, VAL296C, VAL296D, VAL313C