2SIV

siv gp41 core structure

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 65
  • Norm. En. per Res.: -3.4505
• Hub Node: A(5)

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	-8.6725	5.5833	-206.124	-209.2132	66	14	9	8131	0	13	13
A-C	-4.2911	0.0	-152.152	-156.4431	70	8	12	6998	0	3	4
A-D	0.0	0.0	-0.0018	-0.0018	7	0	0	5	0	0	0
A-E	-4.0235	0.0	-135.232	-139.2555	70	11	12	6647	0	3	4
A-F	-31.4236	-47.634	-145.225	-224.2826	65	9	4	5921	5	12	6
B-C	-20.7616	-39.276	-128.474	-188.5115	64	11	4	5865	1	14	8
B-E	0.0	0.0	-0.0019	-0.0019	4	0	0	2	0	0	0
C-D	-6.7457	3.1181	-199.961	-203.5886	66	6	9	8069	0	12	10
C-E	-9.5958	0.0	-133.14	-142.7358	69	20	10	6808	0	3	5
C-F	0.0	0.0	-0.0066	-0.0066	8	0	0	9	0	0	0
D-E	-17.6865	-45.3875	-160.455	-223.529	66	11	5	6636	4	14	8
E-F	-2.9538	0.5115	-211.727	-214.1693	66	6	9	8227	0	12	12

Interface residues

• A-B: ALA546A, ALA644B, ALA649B, ARG561A, ARG567A, ARG579A, ARG633B, ASN575A, ASN641B, ASN656B, ASP557A, ASP636B, GLN550A, GLN551A, GLN552A, GLN553A, GLN554A, GLN562A, GLN563A, GLN577A, GLN629B, GLN650B, GLN652B, GLN653B, GLU564A, GLU630B, GLU632B, GLU639B, GLU640B, GLU647B, GLU648B, GLU654B, GLU659B, GLY547A, GLY572A, ILE548A, ILE642B, ILE651B, LEU555A, LEU556A, LEU565A, LEU566A, LEU568A, LEU576A, LEU638B, LEU645B, LEU646B, LEU660B, LYS560A, LYS574A, LYS634B, LYS655B, MET657B, PHE637B, THR569A, THR573A, THR578A, THR643B, TRP571A, TRP628B, TRP631B, VAL549A, VAL558A, VAL559A, VAL570A, VAL635B
• A-C: ALA546C, ARG561A, ARG561C, ARG567A, ARG567C, ARG579A, ARG579C, ASN575A, ASN575C, ASP557A, ASP557C, GLN550A, GLN550C, GLN551A, GLN551C, GLN552A, GLN552C, GLN553A, GLN553C, GLN554A, GLN554C, GLN562A, GLN562C, GLN563A, GLN563C, GLN577A, GLN577C, GLU564A, GLU564C, GLY547A, GLY572A, GLY572C, ILE548A, ILE548C, LEU555A, LEU555C, LEU556A, LEU556C, LEU565A, LEU565C, LEU566A, LEU566C, LEU568A, LEU568C, LEU576A, LEU576C, LYS560A, LYS560C, LYS574A, LYS574C, THR569A, THR569C, THR573A, THR573C, THR578A, THR578C, THR581A, THR581C, TRP571A, TRP571C, VAL549A, VAL549C, VAL558A, VAL558C, VAL559A, VAL559C, VAL570A, VAL570C, VAL580A, VAL580C
• A-D: ASN656D, GLN562A, ILE548A, ILE642D, LEU576A, LEU660D, TRP628D
• A-E: ALA546A, ALA546E, ARG561A, ARG561E, ARG567A, ARG567E, ARG579A, ARG579E, ASN575A, ASN575E, ASP557A, GLN550A, GLN550E, GLN551A, GLN551E, GLN552A, GLN552E, GLN553A, GLN553E, GLN554A, GLN554E, GLN562A, GLN562E, GLN563A, GLN563E, GLN577A, GLN577E, GLU564A, GLU564E, GLY547E, GLY572A, GLY572E, ILE548A, ILE548E, LEU555A, LEU555E, LEU556A, LEU556E, LEU565A, LEU565E, LEU566A, LEU566E, LEU568A, LEU568E, LEU576A, LEU576E, LYS560A, LYS560E, LYS574A, LYS574E, THR569A, THR569E, THR573A, THR573E, THR578A, THR578E, THR581A, THR581E, TRP571A, TRP571E, VAL549A, VAL549E, VAL558A, VAL558E, VAL559A, VAL559E, VAL570A, VAL570E, VAL580A, VAL580E
• A-F: ALA546A, ALA644F, ALA649F, ARG561A, ARG567A, ARG633F, ASN575A, ASN641F, ASN656F, ASP557A, ASP636F, GLN550A, GLN551A, GLN552A, GLN553A, GLN554A, GLN562A, GLN563A, GLN577A, GLN629F, GLN650F, GLN652F, GLN653F, GLU564A, GLU632F, GLU639F, GLU640F, GLU647F, GLU648F, GLU654F, GLU659F, GLY547A, GLY572A, ILE548A, ILE642F, ILE651F, LEU555A, LEU556A, LEU566A, LEU576A, LEU638F, LEU645F, LEU646F, LEU660F, LYS560A, LYS574A, LYS634F, LYS655F, MET657F, PHE637F, THR569A, THR573A, THR578A, THR581A, THR643F, TRP571A, TRP628F, TRP631F, TYR658F, VAL549A, VAL558A, VAL559A, VAL570A, VAL580A, VAL635F
• B-C: ALA546C, ALA644B, ALA649B, ARG561C, ARG567C, ARG633B, ASN575C, ASN641B, ASN656B, ASP557C, ASP636B, GLN550C, GLN551C, GLN552C, GLN553C, GLN554C, GLN562C, GLN563C, GLN577C, GLN629B, GLN650B, GLN652B, GLN653B, GLU564C, GLU632B, GLU639B, GLU640B, GLU647B, GLU648B, GLU654B, GLU659B, GLY547C, GLY572C, ILE548C, ILE642B, ILE651B, LEU555C, LEU556C, LEU566C, LEU576C, LEU638B, LEU645B, LEU646B, LEU660B, LYS560C, LYS574C, LYS634B, LYS655B, MET657B, PHE637B, THR569C, THR573C, THR578C, THR581C, THR643B, TRP571C, TRP628B, TRP631B, VAL549C, VAL558C, VAL559C, VAL570C, VAL580C, VAL635B
• B-E: GLN552E, GLN653B, LEU576E, TRP628B
• C-D: ALA546C, ALA644D, ALA649D, ARG561C, ARG567C, ARG579C, ARG633D, ASN575C, ASN641D, ASN656D, ASP557C, ASP636D, GLN550C, GLN551C, GLN552C, GLN553C, GLN554C, GLN562C, GLN563C, GLN577C, GLN629D, GLN650D, GLN652D, GLN653D, GLU564C, GLU630D, GLU632D, GLU639D, GLU640D, GLU647D, GLU648D, GLU654D, GLU659D, GLY547C, GLY572C, ILE548C, ILE642D, ILE651D, LEU555C, LEU556C, LEU565C, LEU566C, LEU568C, LEU576C, LEU638D, LEU645D, LEU646D, LEU660D, LYS560C, LYS574C, LYS634D, LYS655D, MET657D, PHE637D, THR569C, THR573C, THR578C, THR643D, TRP571C, TRP628D, TRP631D, VAL549C, VAL558C, VAL559C, VAL570C, VAL635D
• C-E: ALA546E, ARG561C, ARG561E, ARG567C, ARG567E, ARG579C, ARG579E, ASN575C, ASN575E, ASP557C, ASP557E, GLN550C, GLN550E, GLN551C, GLN551E, GLN552C, GLN552E, GLN553C, GLN553E, GLN554C, GLN554E, GLN562C, GLN562E, GLN563C, GLN563E, GLN577C, GLN577E, GLU564C, GLU564E, GLY547C, GLY547E, GLY572C, GLY572E, ILE548C, ILE548E, LEU555C, LEU555E, LEU556C, LEU556E, LEU565C, LEU565E, LEU566C, LEU566E, LEU568C, LEU568E, LEU576C, LEU576E, LYS560C, LYS560E, LYS574C, LYS574E, THR569C, THR569E, THR573C, THR573E, THR578E, THR581E, TRP571C, TRP571E, VAL549C, VAL549E, VAL558C, VAL558E, VAL559C, VAL559E, VAL570C, VAL570E, VAL580C, VAL580E
• C-F: ASN656F, GLN552C, GLN562C, GLN653F, ILE548C, ILE642F, LEU576C, TRP628F
• D-E: ALA546E, ALA644D, ALA649D, ARG561E, ARG567E, ARG633D, ASN575E, ASN641D, ASN656D, ASP557E, ASP636D, GLN550E, GLN551E, GLN552E, GLN553E, GLN554E, GLN562E, GLN563E, GLN577E, GLN629D, GLN650D, GLN652D, GLN653D, GLN661D, GLU564E, GLU632D, GLU639D, GLU640D, GLU647D, GLU648D, GLU654D, GLU659D, GLY547E, GLY572E, ILE548E, ILE642D, ILE651D, LEU555E, LEU556E, LEU566E, LEU568E, LEU576E, LEU638D, LEU645D, LEU646D, LEU660D, LYS560E, LYS574E, LYS655D, MET657D, PHE637D, THR569E, THR573E, THR578E, THR581E, THR643D, TRP571E, TRP628D, TRP631D, TYR658D, VAL549E, VAL558E, VAL559E, VAL570E, VAL580E, VAL635D
• E-F: ALA546E, ALA644F, ALA649F, ARG561E, ARG567E, ARG579E, ARG633F, ASN575E, ASN641F, ASN656F, ASP557E, ASP636F, GLN550E, GLN551E, GLN552E, GLN553E, GLN554E, GLN562E, GLN563E, GLN577E, GLN629F, GLN650F, GLN652F, GLN653F, GLU564E, GLU630F, GLU632F, GLU639F, GLU640F, GLU647F, GLU648F, GLU654F, GLU659F, GLY547E, GLY572E, ILE548E, ILE642F, ILE651F, LEU555E, LEU556E, LEU565E, LEU566E, LEU568E, LEU576E, LEU638F, LEU645F, LEU646F, LEU660F, LYS560E, LYS574E, LYS634F, LYS655F, MET657F, PHE637F, THR569E, THR573E, THR578E, THR643F, TRP571E, TRP628F, TRP631F, VAL549E, VAL558E, VAL559E, VAL570E, VAL635F