1WE5

crystal structure of alpha-xylosidase from escherichia coli

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 91
  • Norm. En. per Res.: -4.5399
• 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-C	-70.8466	-58.9874	-285.572	-415.406	94	18	1	10334	6	21	21
A-D	-34.7568	0.8919	-432.481	-466.346	201	28	10	18758	1	73	64
A-E	-63.4932	-41.0543	-246.863	-351.4105	88	22	1	9450	5	21	25
A-F	0.0	0.0	-0.4388	-0.4388	7	0	0	58	0	0	3
B-C	0.0	0.0	-0.5394	-0.5394	9	0	0	74	0	0	2
B-D	-56.8306	-50.4432	-283.386	-390.6598	95	18	2	10390	4	22	25
B-E	-39.2866	-2.9162	-486.893	-529.0957	199	23	10	19491	1	73	65
B-F	-71.7895	-56.7779	-284.561	-413.1285	91	19	1	10166	5	21	21
C-E	-69.2802	-52.5084	-280.278	-402.0666	94	21	1	10367	4	20	22
C-F	-51.2868	-22.4642	-460.25	-534.001	203	39	10	19359	2	75	64
D-E	0.0	0.0	-0.2345	-0.2345	6	0	0	38	0	0	2
D-F	-58.8153	-46.6323	-282.491	-387.9385	94	13	1	10179	4	20	19

Interface residues

• A-C: ALA312C, ALA36A, ALA37A, ALA385C, ALA75A, ARG369C, ARG39A, ARG420C, ARG42A, ARG44A, ARG56A, ARG68A, ASN148A, ASN280C, ASN77A, ASN78A, ASP282C, ASP306C, ASP321C, ASP371C, ASP378C, ASP40A, ASP49A, CYS307C, GLN21A, GLN28A, GLN314C, GLN352C, GLN361C, GLN376C, GLN381C, GLN47A, GLN73A, GLU235A, GLU24A, GLU26A, GLU43A, GLU70A, GLY351C, GLY372C, GLY383C, GLY74A, HIS71A, ILE17A, LEU323C, LEU366C, LEU374C, LEU384C, LEU48A, LEU52A, LEU76A, LYS311C, LYS353C, LYS358C, LYS368C, LYS379C, PHE23A, PHE277C, PHE308C, PHE313C, PHE325C, PHE357C, PHE417C, PHE53A, PHE72A, PRO355C, PRO370C, PRO382C, PRO38A, PRO51A, SER276C, SER354C, SER373C, THR275C, THR278C, THR279C, THR285C, THR324C, THR45A, THR50A, THR54A, TRP309C, TRP315C, TRP375C, TRP377C, TRP380C, TRP46A, TYR139A, TYR236A, TYR281C, TYR35A, VAL25A, VAL33A, VAL41A
• A-D: 7194CB8.8825, ALA171A, ALA171D, ALA193A, ALA193D, ALA491A, ALA491D, ALA600A, ALA600D, ARG128A, ARG128D, ARG153A, ARG153D, ARG168A, ARG168D, ARG174A, ARG174D, ARG184A, ARG184D, ARG204A, ARG204D, ARG420A, ARG420D, ARG466A, ARG466D, ARG495A, ARG495D, ARG606A, ARG606D, ARG648A, ARG648D, ASN175A, ASN175D, ASN203A, ASN203D, ASN486A, ASN486D, ASN517A, ASN7A, ASN7D, ASP155A, ASP155D, ASP185A, ASP185D, ASP482A, ASP482D, ASP597A, ASP597D, ASP598A, ASP598D, ASP5A, ASP5D, ASP602A, ASP602D, ASP605A, ASP605D, ASP645D, CYS483A, CYS483D, CYS601A, CYS601D, GLN11A, GLN11D, GLN133A, GLN133D, GLN177A, GLN177D, GLN192A, GLN192D, GLN627A, GLN627D, GLU160A, GLU160D, GLU180A, GLU180D, GLU191A, GLU191D, GLU219A, GLU219D, GLU223A, GLU223D, GLU488A, GLU488D, GLU492A, GLU492D, GLU516A, GLU632A, GLU632D, GLY157A, GLY157D, GLY159A, GLY159D, GLY176A, GLY176D, GLY186A, GLY186D, GLY187A, GLY187D, GLY221A, GLY221D, GLY633D, GLY646A, GLY646D, GLY6A, GLY6D, HIS650A, HIS650D, ILE10A, ILE10D, LEU156A, LEU156D, LEU172A, LEU172D, LEU494A, LEU494D, LEU604A, LEU604D, LEU9A, LEU9D, LYS224A, LYS224D, LYS227A, LYS227D, LYS2A, LYS2A5, LYS2D, LYS379A, LYS379D, LYS651A, LYS651D, PHE117D, PHE169A, PHE169D, PHE515A, PHE620A, PHE620D, PHE628A, PHE628D, PRO599A, PRO599D, PRO618A, PRO618D, SER189A, SER189D, SER222A, SER222D, SER226A, SER226D, SER489A, SER489D, SER493A, SER493D, SER4A, SER4D, SER647A, SER647D, THR161A, THR161D, THR170A, THR170D, THR178A, THR178D, THR188A, THR188D, THR190A, THR190D, THR518A, THR621A, THR621D, TRP377A, TRP377D, TRP380A, TRP380D, TRP649A, TRP649D, TRP8A, TRP8D, TYR194A, TYR194D, TYR484A, TYR484D, TYR487A, TYR487D, TYR603A, TYR603D, TYR629A, TYR629D, VAL158A, VAL158D, VAL173A, VAL173D, VAL179A, VAL179D, VAL220A, VAL220D, VAL225A, VAL225D, VAL619A, VAL619D, VAL626A, VAL626D
• A-E: ALA312A, ALA36E, ALA37E, ALA385A, ALA75E, ARG369A, ARG39E, ARG420A, ARG42E, ARG44E, ARG546A, ARG56E, ASN280A, ASN77E, ASN78E, ASP371A, ASP378A, ASP40E, ASP49E, CYS307A, GLN141E, GLN28E, GLN314A, GLN352A, GLN361A, GLN376A, GLN381A, GLN47E, GLN73E, GLU235E, GLU24E, GLU26E, GLU43E, GLU516A, GLU70E, GLY351A, GLY372A, GLY383A, GLY74E, HIS71E, ILE17E, LEU323A, LEU366A, LEU374A, LEU384A, LEU48E, LEU52E, LEU76E, LYS311A, LYS353A, LYS358A, LYS368A, LYS379A, LYS543A, PHE23E, PHE277A, PHE308A, PHE313A, PHE357A, PHE417A, PHE53E, PHE72E, PRO355A, PRO370A, PRO382A, PRO38E, PRO51E, SER276A, SER354A, SER373A, THR278A, THR279A, THR324A, THR45E, THR50E, THR54E, TRP315A, TRP375A, TRP377A, TRP380A, TRP46E, TYR139E, TYR281A, TYR35E, VAL25E, VAL33E, VAL34E, VAL41E
• A-F: ASP49A, ASP49F, LEU9A, LEU9F, TRP46A, TRP8A, TRP8F
• B-C: ASN15B, ASN15C, ASP49B, ASP49C, LEU9B, LEU9C, TRP46C, TRP8B, TRP8C
• B-D: ALA312B, ALA36D, ALA37D, ALA385B, ALA75D, ARG369B, ARG39D, ARG420B, ARG42D, ARG44D, ARG56D, ASN148D, ASN280B, ASN77D, ASN78D, ASP185B, ASP282B, ASP306B, ASP321B, ASP371B, ASP378B, ASP40D, ASP49D, CYS307B, GLN141D, GLN28D, GLN314B, GLN352B, GLN361B, GLN376B, GLN381B, GLN47D, GLN73D, GLU235D, GLU24D, GLU26D, GLU43D, GLU516B, GLU70D, GLY351B, GLY372B, GLY383B, GLY74D, HIS71D, ILE17D, LEU323B, LEU366B, LEU374B, LEU384B, LEU48D, LEU52D, LEU76D, LYS311B, LYS353B, LYS358B, LYS368B, LYS379B, PHE23D, PHE277B, PHE308B, PHE313B, PHE325B, PHE357B, PHE417B, PHE53D, PHE72D, PRO355B, PRO370B, PRO382B, PRO38D, PRO51D, SER276B, SER354B, SER373B, THR278B, THR279B, THR285B, THR324B, THR45D, THR50D, THR54D, TRP309B, TRP315B, TRP375B, TRP377B, TRP380B, TRP46D, TYR139D, TYR236D, TYR281B, TYR35D, VAL25D, VAL33D, VAL34D, VAL41D
• B-E: ALA171B, ALA171E, ALA193B, ALA193E, ALA491B, ALA491E, ALA600B, ALA600E, ARG128B, ARG128E, ARG153B, ARG153E, ARG168B, ARG168E, ARG174B, ARG174E, ARG184B, ARG184E, ARG204B, ARG204E, ARG420B, ARG420E, ARG466B, ARG466E, ARG495B, ARG495E, ARG606B, ARG606E, ARG648B, ARG648E, ASN175B, ASN175E, ASN203B, ASN203E, ASN486B, ASN486E, ASN7B, ASN7E, ASP155B, ASP155E, ASP185B, ASP185E, ASP482B, ASP482E, ASP597B, ASP597E, ASP598B, ASP598E, ASP5B, ASP5E, ASP602B, ASP602E, ASP605B, ASP605E, ASP645B, ASP645E, CYS483B, CYS483E, CYS601B, CYS601E, GLN11B, GLN11E, GLN133B, GLN133E, GLN177B, GLN177E, GLN192B, GLN192E, GLN627B, GLN627E, GLU160B, GLU160E, GLU180B, GLU180E, GLU191B, GLU191E, GLU219B, GLU219E, GLU223B, GLU223E, GLU488B, GLU488E, GLU492B, GLU492E, GLU632B, GLU632E, GLY157B, GLY157E, GLY159B, GLY159E, GLY176B, GLY176E, GLY186B, GLY186E, GLY187B, GLY187E, GLY221B, GLY221E, GLY481B, GLY633E, GLY646B, GLY646E, GLY6B, GLY6E, HIS650B, HIS650E, ILE10B, ILE10E, ILE3B, LEU156B, LEU156E, LEU172B, LEU172E, LEU494B, LEU494E, LEU604B, LEU604E, LEU9B, LEU9E, LYS224B, LYS224E, LYS227B, LYS227E, LYS2B, LYS2E, LYS379B, LYS379E, LYS651B, LYS651E, PHE169B, PHE169E, PHE417B, PHE417E, PHE515B, PHE620B, PHE620E, PHE628B, PHE628E, PRO599B, PRO599E, PRO618B, PRO618E, SER189B, SER189E, SER222B, SER222E, SER226B, SER226E, SER489B, SER489E, SER493B, SER493E, SER4B, SER4E, SER647B, SER647E, THR161B, THR161E, THR170B, THR170E, THR178B, THR178E, THR188B, THR188E, THR190B, THR190E, THR621B, THR621E, TRP377B, TRP377E, TRP380E, TRP649B, TRP649E, TRP8B, TRP8E, TYR194B, TYR194E, TYR484B, TYR484E, TYR487B, TYR487E, TYR603B, TYR603E, TYR629B, TYR629E, VAL158B, VAL158E, VAL173B, VAL173E, VAL179B, VAL179E, VAL220B, VAL220E, VAL225B, VAL225E, VAL619B, VAL619E, VAL626B, VAL626E
• B-F: ALA312F, ALA36B, ALA37B, ALA385F, ALA75B, ARG369F, ARG39B, ARG420F, ARG42B, ARG44B, ARG56B, ASN280F, ASN77B, ASP282F, ASP306F, ASP321F, ASP371F, ASP378F, ASP40B, ASP49B, CYS307F, GLN28B, GLN314F, GLN352F, GLN361F, GLN376F, GLN381F, GLN47B, GLN73B, GLU235B, GLU24B, GLU26B, GLU43B, GLU70B, GLY351F, GLY372F, GLY383F, GLY74B, HIS71B, ILE17B, LEU323F, LEU366F, LEU374F, LEU384F, LEU48B, LEU52B, LEU76B, LYS311F, LYS353F, LYS358F, LYS368F, LYS379F, PHE23B, PHE277F, PHE308F, PHE313F, PHE325F, PHE357F, PHE417F, PHE53B, PHE72B, PRO355F, PRO370F, PRO382F, PRO38B, PRO51B, SER276F, SER354F, SER373F, THR275F, THR278F, THR279F, THR285F, THR324F, THR45B, THR50B, THR54B, TRP309F, TRP315F, TRP375F, TRP377F, TRP380F, TRP46B, TYR139B, TYR236B, TYR281F, TYR35B, VAL25B, VAL33B, VAL34B, VAL41B
• C-E: ALA312E, ALA36C, ALA37C, ALA385E, ALA75C, ARG369E, ARG39C, ARG420E, ARG42C, ARG44C, ARG56C, ARG68C, ASN148C, ASN280E, ASN77C, ASN78C, ASP185E, ASP282E, ASP306E, ASP321E, ASP371E, ASP378E, ASP40C, ASP49C, CYS307E, GLN28C, GLN314E, GLN352E, GLN361E, GLN376E, GLN381E, GLN47C, GLN73C, GLU235C, GLU24C, GLU26C, GLU43C, GLU70C, GLY351E, GLY372E, GLY383E, GLY74C, HIS71C, ILE17C, LEU323E, LEU366E, LEU374E, LEU384E, LEU48C, LEU52C, LEU76C, LYS311E, LYS353E, LYS358E, LYS368E, LYS379E, PHE23C, PHE277E, PHE308E, PHE313E, PHE325E, PHE357E, PHE417E, PHE53C, PHE72C, PRO355E, PRO370E, PRO382E, PRO38C, PRO51C, SER276E, SER354E, SER373E, THR278E, THR279E, THR324E, THR45C, THR50C, THR54C, TRP309E, TRP315E, TRP345E, TRP375E, TRP377E, TRP380E, TRP46C, TYR139C, TYR236C, TYR281E, TYR35C, VAL25C, VAL33C, VAL34C, VAL41C
• C-F: ALA171C, ALA171F, ALA193C, ALA193F, ALA491C, ALA491F, ALA600C, ALA600F, ARG128C, ARG128F, ARG153C, ARG153F, ARG168C, ARG168F, ARG174C, ARG174F, ARG184C, ARG184F, ARG204C, ARG204F, ARG420C, ARG420F, ARG466C, ARG466F, ARG495C, ARG495F, ARG606C, ARG606F, ARG648C, ARG648F, ASN175C, ASN175F, ASN203C, ASN203F, ASN486C, ASN486F, ASN7C, ASN7F, ASP155C, ASP155F, ASP185C, ASP185F, ASP482C, ASP482F, ASP597C, ASP597F, ASP598C, ASP598F, ASP5C, ASP5F, ASP602C, ASP602F, ASP605C, ASP605F, ASP645C, ASP645F, CYS483C, CYS483F, CYS601C, CYS601F, GLN11C, GLN11F, GLN133C, GLN133F, GLN177C, GLN177F, GLN192C, GLN192F, GLN627C, GLN627F, GLU160C, GLU160F, GLU180C, GLU180F, GLU191C, GLU191F, GLU219C, GLU219F, GLU223C, GLU223F, GLU488C, GLU488F, GLU492C, GLU492F, GLU632C, GLU632F, GLY157C, GLY157F, GLY159C, GLY159F, GLY176C, GLY176F, GLY186C, GLY186F, GLY187C, GLY187F, GLY221C, GLY221F, GLY496C, GLY496F, GLY633C, GLY633F, GLY646C, GLY646F, GLY6C, GLY6F, HIS650C, HIS650F, ILE10C, ILE10F, ILE3C, ILE3F, LEU156C, LEU156F, LEU172C, LEU172F, LEU494C, LEU494F, LEU604C, LEU604F, LEU9C, LEU9F, LYS224C, LYS224F, LYS227C, LYS227F, LYS2C, LYS2F, LYS379C, LYS379F, LYS651C, LYS651F, PHE117F, PHE169C, PHE169F, PHE620C, PHE620F, PHE628C, PHE628F, PRO599C, PRO599F, PRO618C, PRO618F, PRO631C, SER189C, SER189F, SER222C, SER222F, SER226C, SER226F, SER489C, SER489F, SER493C, SER493F, SER4C, SER4F, SER647C, SER647F, THR161C, THR161F, THR170C, THR170F, THR178C, THR178F, THR188C, THR188F, THR190C, THR190F, THR518C, THR621C, THR621F, TRP377C, TRP377F, TRP380C, TRP649C, TRP649F, TRP8C, TRP8F, TYR194C, TYR194F, TYR484C, TYR484F, TYR487C, TYR487F, TYR603C, TYR603F, TYR629C, TYR629F, VAL134F, VAL158C, VAL158F, VAL173C, VAL173F, VAL179C, VAL179F, VAL220C, VAL220F, VAL225C, VAL225F, VAL619C, VAL619F, VAL626C, VAL626F
• D-E: ASP49D, ASP49E, LEU9D, LEU9E, TRP8D, TRP8E
• D-F: ALA312D, ALA36F, ALA37F, ALA385D, ALA75F, ARG369D, ARG39F, ARG420D, ARG42F, ARG44F, ARG56F, ARG68F, ASN148F, ASN280D, ASN77F, ASN78F, ASP282D, ASP306D, ASP321D, ASP371D, ASP378D, ASP40F, ASP49F, CYS307D, GLN141F, GLN28F, GLN314D, GLN352D, GLN361D, GLN376D, GLN381D, GLN47F, GLN73F, GLU235F, GLU24F, GLU26F, GLU43F, GLU70F, GLY351D, GLY372D, GLY383D, GLY74F, HIS71F, ILE17F, LEU323D, LEU366D, LEU374D, LEU384D, LEU48F, LEU52F, LEU76F, LYS311D, LYS353D, LYS358D, LYS368D, LYS379D, PHE23F, PHE277D, PHE308D, PHE313D, PHE325D, PHE357D, PHE417D, PHE53F, PHE72F, PRO355D, PRO370D, PRO382D, PRO38F, PRO51F, SER276D, SER354D, SER373D, THR278D, THR279D, THR285D, THR324D, THR45F, THR50F, THR54F, TRP309D, TRP315D, TRP375D, TRP377D, TRP380D, TRP46F, TYR139F, TYR236F, TYR281D, TYR35F, VAL25F, VAL33F, VAL34F, VAL41F