3O6B

a dual e3 mechanism for rub1 ligation to cdc53: dcn1(p)-cdc53(whb) low resolution

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 55
  • Norm. En. per Res.: -4.0317
• Hub Node: C(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	-55.2038	-43.5911	-122.947	-221.7419	55	11	0	5329	4	37	16
A-C	0.0	0.0	-0.6147	-0.6147	9	0	0	127	0	13	13
C-D	-47.4299	-36.179	-117.243	-200.852	57	9	0	5096	4	38	17
C-E	0.0	-13.427	-10.9231	-24.3501	15	0	0	826	0	14	16
C-G	-7.0043	-2.828	-75.4379	-85.2702	48	1	0	3076	0	12	9
C-H	0.0	18.7592	-13.5223	5.2369	11	1	0	612	0	7	5
D-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
E-F	-56.0705	-35.977	-128.712	-220.7595	58	19	0	5407	4	37	16
E-J	0.0	0.0	-14.1663	-14.1663	31	1	0	833	0	10	10
F-I	-34.0542	2.4827	-46.1996	-77.7711	45	14	1	3199	0	10	9
G-H	-54.9768	-44.877	-126.503	-226.3568	58	8	1	4897	4	33	18
G-I	-16.4096	2.6903	-95.8745	-109.5938	41	9	0	3498	2	22	19
G-J	-9.4563	-1.0653	-61.5509	-72.0726	47	3	0	2718	0	19	14
I-J	-14.5579	-15.8032	-82.5471	-112.9082	47	13	0	3824	3	24	14

Interface residues

• A-B: ALA252A, ALA253A, ALA792B, ARG229A, ARG237A, ARG791B, ARG804B, ASN772B, ASP181A, ASP226A, ASP249A, ASP259A, ASP794B, ASP806B, ASP807B, GLN798B, GLN803B, GLU250A, GLU260A, GLU809B, GLY800B, GLY805B, GLY808B, HIS767B, ILE223A, ILE257A, ILE258A, ILE793B, ILE797B, LEU233A, LEU802B, LYS180A, LYS225A, LYS790B, LYS799B, MET230A, MET788B, PHE256A, PRO255A, PRO766B, SER224A, SER787B, SER795B, SER810B, THR222A, THR227A, THR251A, THR768B, TRP254A, TYR248A, TYR262A, TYR811B, VAL771B, VAL786B, VAL789B
• A-C: ARG213A, ARG213C, ARG216A, ARG216C, ASP217A, ASP217C, GLU209A, LYS192A, LYS192C
• C-D: ALA252C, ALA253C, ALA792D, ARG229C, ARG237C, ARG791D, ARG804D, ASN168C, ASN772D, ASP181C, ASP226C, ASP249C, ASP259C, ASP794D, ASP806D, ASP807D, GLN798D, GLN803D, GLU250C, GLU260C, GLU809D, GLY800D, GLY805D, GLY808D, HIS767D, ILE257C, ILE258C, ILE775D, ILE793D, ILE797D, LEU233C, LYS180C, LYS220C, LYS225C, LYS785D, LYS790D, LYS799D, MET230C, MET788D, PHE256C, PRO255C, PRO766D, SER224C, SER787D, SER795D, SER810D, THR164C, THR222C, THR227C, THR251C, THR768D, TRP254C, TYR248C, TYR811D, VAL771D, VAL786D, VAL789D
• C-E: ARG202C, ARG213E, ARG216E, ASP217E, CYS264E, GLN242C, GLU204C, GLU218E, GLY219E, LEU265E, LYS220E, LYS243C, PHE214E, PRO239C, THR240C
• C-G: ALA252G, ALA253G, ARG229G, ARG237G, ASN168G, ASP159C, ASP159G, ASP247G, ASP249G, CYS139C, GLN137C, GLN161G, GLN165C, GLN165G, GLU74C, GLY138C, LEU115C, LEU160G, LEU232G, LEU233G, LEU75C, LYS155C, LYS155G, LYS236G, LYS243G, LYS73C, MET136C, MET230G, PHE135C, PHE163G, PHE234G, PHE235G, PRO200G, PRO239G, PRO72C, SER132C, SER140C, SER69C, THR133C, THR164G, TRP134C, TRP254G, TYR162G, TYR238G, TYR248G, TYR71C, VAL201G, VAL70C
• C-H: ASP806H, ASP807H, GLU128C, GLU809H, GLY808H, LEU131C, SER132C, SER69C, SER810H, TYR71C, VAL70C
• D-G: ASP806D, MET136G
• E-F: ALA252E, ALA253E, ALA792F, ARG229E, ARG791F, ARG804F, ASP181E, ASP226E, ASP249E, ASP259E, ASP794F, ASP806F, ASP807F, GLN748F, GLN798F, GLN803F, GLU250E, GLU260E, GLU263E, GLU809F, GLY800F, GLY805F, GLY808F, HIS767F, ILE182E, ILE223E, ILE257E, ILE258E, ILE793F, ILE797F, LEU233E, LEU802F, LEU814F, LYS180E, LYS220E, LYS225E, LYS785F, LYS790F, MET230E, MET788F, PHE171E, PHE256E, PRO255E, SER224E, SER787F, SER795F, SER810F, THR222E, THR227E, THR251E, THR768F, TRP254E, TYR248E, TYR262E, TYR811F, VAL771F, VAL786F, VAL789F
• E-J: ALA812J, ARG179E, ARG804J, ASN178E, ASN772J, ASN85E, ASN86E, ASP176E, ASP806J, ASP807J, ASP89E, GLN803J, GLU122E, GLU123E, GLU773J, GLU809J, GLY805J, GLY808J, ILE90E, LEU765J, LEU814J, LEU87E, LYS180E, PRO124E, PRO177E, PRO766J, SER810J, THR768J, THR769J, TYR811J, TYR813J
• F-I: ALA753F, ALA815F, ARG127I, ARG747F, ARG757F, ASP129I, CYS148I, CYS754F, CYS774F, GLN137I, GLN161I, GLN165I, GLN748F, GLN777F, GLU128I, GLU746F, GLU752F, GLY138I, HIS114I, ILE749F, ILE755F, ILE758F, LEU115I, LEU131I, LEU152I, LEU751F, LEU796F, LYS126I, LYS155I, LYS760F, LYS799F, MET136I, MET759F, PHE130I, PHE135I, PHE750F, SER132I, SER778F, THR133I, THR745F, TRP134I, TYR162I, TYR801F, TYR813F, VAL756F
• G-H: ALA252G, ALA253G, ALA792H, ARG229G, ARG791H, ARG804H, ASP181G, ASP226G, ASP249G, ASP259G, ASP794H, ASP806H, ASP807H, GLN798H, GLN803H, GLU250G, GLU260G, GLU263G, GLU809H, GLY800H, GLY805H, GLY808H, HIS767H, ILE182G, ILE223G, ILE257G, ILE258G, ILE775H, ILE793H, ILE797H, LEU233G, LEU802H, LEU814H, LYS180G, LYS220G, LYS225G, LYS790H, LYS799H, MET230G, MET788H, PHE256G, PRO255G, PRO766H, SER224G, SER787H, SER795H, SER810H, THR222G, THR227G, THR251G, THR768H, TRP254G, TYR248G, TYR801H, TYR811H, VAL771H, VAL786H, VAL789H
• G-I: ARG179I, ASN178I, ASP144G, ASP176I, ASP181I, ASP183I, GLN146G, GLN77G, GLU122I, GLU123I, GLU74G, GLU80G, GLU98G, GLU99G, GLY101G, HIS81G, ILE142G, ILE182I, ILE223I, LEU100G, LEU175I, LEU75G, LYS120I, LYS180I, LYS225I, LYS95G, MET145G, PHE130G, PHE171I, PHE79G, PHE96G, PRO124I, PRO177I, SER140G, SER143G, THR141G, THR221I, THR222I, THR76G, TYR82G, VAL78G
• G-J: ALA108G, ALA753J, ALA815J, ARG747J, ARG757J, ASP106G, ASP153G, CYS754J, GLN146G, GLN196G, GLN798J, GLN803J, GLU147G, GLU158G, GLU198G, GLU746J, GLU752J, GLU98G, GLU99G, GLY101G, GLY800J, HIS157G, ILE149G, ILE749J, ILE797J, LEU100G, LEU107G, LEU152G, LEU193G, LEU796J, LEU802J, LEU814J, LYS150G, LYS155G, LYS192G, LYS760J, LYS799J, PHE750J, PRO197G, SER795J, THR151G, TYR102G, TYR199G, TYR801J, TYR813J, VAL154G, VAL756J
• I-J: ALA253I, ALA792J, ARG229I, ARG791J, ARG804J, ASP181I, ASP226I, ASP259I, ASP794J, ASP806J, ASP807J, GLN798J, GLN803J, GLU260I, GLU263I, GLU809J, GLY800J, GLY805J, GLY808J, HIS767J, ILE223I, ILE257I, ILE258I, ILE793J, ILE797J, LEU233I, LEU802J, LYS180I, LYS225I, LYS790J, LYS799J, MET230I, MET788J, PHE256I, PRO255I, SER224I, SER787J, SER795J, SER810J, THR222I, THR227I, THR768J, TRP254I, TYR811J, VAL771J, VAL786J, VAL789J