3N0I

crystal structure of ad37 fiber knob in complex with gd1a oligosaccharide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 101
  • Norm. En. per Res.: -3.5437
• 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	-65.9048	-23.9792	-275.583	-365.467	104	18	5	11854	2	14	12
A-C	-59.2205	-19.5568	-279.136	-357.9133	101	8	5	11705	2	17	12
B-C	-58.5199	-22.4307	-278.049	-358.9995	105	9	5	11615	2	15	14

Interface residues

• A-B: ALA219A, ALA219B, ALA292B, ALA303B, ALA363B, ARG184A, ARG270A, ARG304B, ASN195A, ASN220A, ASN273A, ASN289B, ASN340B, ASP191A, ASP305B, ASP318A, CYS213A, CYS213B, GLN216B, GLN319A, GLN364B, GLU351A, GLU353A, GLU365B, GLY214A, GLY214B, GLY272A, GLY285B, GLY309B, GLY314A, GLY315A, HIS231A, ILE217A, ILE217B, ILE224A, ILE232A, ILE306B, ILE311A, ILE362B, LEU186A, LEU206A, LEU208A, LEU210A, LEU218A, LEU218B, LEU223A, LEU290B, LEU313A, LYS205A, LYS212A, LYS212B, LYS300B, LYS301B, LYS316A, LYS324B, PHE286A, PHE327B, PHE352A, PHE357A, PHE357B, PHE359A, PHE359B, PRO190A, PRO194A, PRO294B, PRO317A, PRO320A, SER193A, SER215B, SER222A, SER274A, SER299B, SER342B, SER356A, SER360A, SER360B, THR183A, THR185A, THR188A, THR189A, THR192A, THR207A, THR211A, THR211B, THR310A, THR310B, THR325B, THR354A, THR355A, THR358A, THR358B, TRP187A, TYR293B, TYR302B, TYR308B, TYR312A, TYR361B, VAL209A, VAL221A, VAL225A, VAL226A, VAL291B, VAL307B, VAL322B
• A-C: ALA219A, ALA219C, ALA292A, ALA303A, ALA363A, ARG184C, ARG270C, ARG304A, ASN195C, ASN220C, ASN273C, ASN289A, ASN340A, ASP191C, ASP305A, ASP318C, CYS213A, CYS213C, GLN216A, GLN319C, GLN364A, GLU351C, GLU353C, GLU365A, GLY214A, GLY214C, GLY272C, GLY285A, GLY309A, GLY314C, GLY315C, HIS231C, ILE217A, ILE217C, ILE224C, ILE232C, ILE306A, ILE311C, ILE362A, LEU186C, LEU206C, LEU208C, LEU210C, LEU218A, LEU218C, LEU223C, LEU290A, LEU313C, LYS205C, LYS212A, LYS212C, LYS300A, LYS301A, LYS316C, LYS324A, PHE286C, PHE327A, PHE352C, PHE357A, PHE357C, PHE359A, PHE359C, PRO190C, PRO294A, PRO317C, SER193C, SER215A, SER222C, SER274C, SER299A, SER342A, SER356C, SER360A, SER360C, THR185C, THR188C, THR189C, THR192C, THR207C, THR211A, THR211C, THR310A, THR310C, THR325A, THR354C, THR355C, THR358A, THR358C, TRP187C, TYR293A, TYR302A, TYR308A, TYR312C, TYR361A, VAL209C, VAL221C, VAL225C, VAL226C, VAL291A, VAL307A, VAL322A
• B-C: ALA219B, ALA219C, ALA292C, ALA303C, ALA363C, ARG184B, ARG270B, ARG304C, ASN195B, ASN220B, ASN273B, ASN289C, ASN340C, ASP182B, ASP191B, ASP305C, ASP318B, CYS213B, CYS213C, GLN216C, GLN319B, GLN364C, GLU351B, GLU353B, GLU365C, GLY214B, GLY214C, GLY272B, GLY285C, GLY309C, GLY314B, GLY315B, HIS231B, ILE217B, ILE217C, ILE224B, ILE232B, ILE306C, ILE311B, ILE362C, LEU186B, LEU206B, LEU208B, LEU210B, LEU218B, LEU218C, LEU223B, LEU290C, LEU313B, LYS205B, LYS212B, LYS212C, LYS300C, LYS301C, LYS316B, LYS324C, PHE286B, PHE327C, PHE352B, PHE357B, PHE357C, PHE359B, PHE359C, PRO190B, PRO194B, PRO294C, PRO317B, PRO320B, SER193B, SER215C, SER222B, SER274B, SER342C, SER344C, SER356B, SER360B, SER360C, THR185B, THR188B, THR189B, THR192B, THR207B, THR211B, THR211C, THR310B, THR310C, THR325C, THR326C, THR354B, THR355B, THR358B, THR358C, TRP187B, TYR293C, TYR302C, TYR308C, TYR312B, TYR361C, VAL209B, VAL221B, VAL225B, VAL226B, VAL291C, VAL307C, VAL322C