3KYD

human sumo e1~sumo1-amp tetrahedral intermediate mimic

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 103
  • Norm. En. per Res.: -3.9823
• 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	-99.3494	-47.0861	-445.443	-591.8785	183	19	13	20297	8	31	37
A-D	0.0	-3.1622	-47.2926	-50.4548	26	3	1	2179	0	9	16
B-D	-47.434	-103.3852	-259.361	-410.1802	103	20	2	10493	7	24	16

Interface residues

• A-B: ALA231A, ALA232A, ALA300A, ALA304A, ALA311A, ALA388B, ALA392B, ALA395B, ALA49A, ALA58A, ALA78A, ALA99A, ARG168B, ARG235A, ARG293A, ARG321A, ARG35A, ARG414B, ARG425B, ARG59B, ARG5B, ARG83A, ARG98A, ASN101A, ASN103A, ASN194B, ASN326A, ASN337A, ASN35B, ASN391B, ASN419B, ASN423B, ASN54A, ASN56B, ASN58B, ASP260A, ASP322A, ASP332A, ASP345B, ASP75A, CYS303A, CYS342A, CYS413B, CYS432B, GLN100A, GLN312A, GLN31A, GLN412B, GLN421B, GLN60B, GLN64B, GLN79A, GLN82B, GLU176A, GLU177A, GLU298A, GLU313A, GLU31B, GLU341A, GLU401B, GLU50A, GLU74A, GLU78B, GLY160A, GLY307A, GLY308A, GLY333A, GLY336A, GLY338A, GLY396B, GLY40B, GLY46A, GLY59A, GLY6B, GLY77A, HIS162A, HIS325A, HIS67B, ILE309A, ILE314A, ILE339A, ILE387B, ILE394B, ILE398B, ILE416B, ILE51A, ILE56A, ILE82A, LEU102A, LEU11B, LEU233A, LEU28A, LEU310A, LEU32B, LEU343A, LEU36B, LEU38B, LEU397B, LEU400B, LEU403B, LEU418B, LEU428B, LEU429B, LEU55A, LEU57A, LEU57B, LEU62B, LEU7B, LEU81A, LEU81B, LYS178A, LYS180A, LYS234A, LYS316A, LYS335A, LYS34B, LYS404B, LYS409B, LYS420B, LYS426B, LYS427B, LYS53A, LYS65B, LYS66B, LYS86B, MET105A, MET299A, MET334A, PHE174A, PHE296A, PHE328A, PHE329A, PHE330A, PHE331A, PHE417B, PHE41B, PHE61B, PHE63B, PHE80A, PHE83B, PRO104A, PRO301A, PRO323A, PRO324A, PRO385B, PRO422B, PRO424B, PRO431B, PRO76A, PRO85B, PRO8B, SER258A, SER259A, SER297A, SER319A, SER407B, SER4B, SER79B, THR165A, THR179A, THR236A, THR237A, THR389B, THR390B, THR39B, THR84A, TRP26A, TYR144B, TYR161A, TYR262A, TYR294A, TYR84B, VAL106A, VAL302A, VAL305A, VAL306A, VAL315A, VAL340A, VAL37B, VAL393B, VAL399B, VAL430B, VAL80B
• A-D: ALA182A, ARG54D, ASP30D, GLN55D, GLU176A, GLU177A, GLU33D, GLY28D, HIS35D, ILE27D, ILE34D, LEU24D, LYS178A, LYS180A, LYS183A, LYS23D, LYS25D, LYS37D, PHE36D, PRO323A, SER31D, SER32D, THR179A, THR204A, VAL181A, VAL26D
• B-D: ALA115B, ALA142B, ALA433B, ARG119B, ARG122B, ARG168B, ARG414B, ARG425B, ARG54D, ARG63D, ARG70D, ASN118B, ASN391B, ASN419B, ASN423B, ASN438B, ASN440B, ASN60D, ASP117B, ASP30D, ASP435B, ASP86D, CYS161B, CYS173B, CYS432B, CYS52D, CYS95D, GLN147B, GLN167B, GLN29D, GLN421B, GLN53D, GLN55D, GLN69D, GLN92D, GLN94D, GLU138B, GLU157B, GLU160B, GLU181B, GLU67D, GLU89D, GLU93D, GLY140B, GLY143B, GLY146B, GLY172B, GLY28D, GLY56D, GLY68D, GLY96D, HIS162B, HIS184B, ILE151B, ILE27D, ILE28B, ILE384B, ILE394B, ILE416B, ILE88D, LEU116B, LEU145B, LEU418B, LEU428B, LEU429B, LEU434B, LEU62D, LEU65D, LYS164B, LYS25D, LYS420B, LYS426B, LYS427B, MET59D, PHE170B, PHE417B, PHE66D, PRO163B, PRO165B, PRO171B, PRO422B, PRO424B, PRO431B, PRO436B, PRO58D, SER139B, SER31D, SER32D, SER61D, THR141B, THR149B, THR166B, THR169B, THR390B, THR415B, TYR144B, TYR159B, TYR91D, VAL148B, VAL430B, VAL57D, VAL87D, VAL90D