1TD3

crystal structure of vshp_bpp21 in space group c2

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 76
  • Norm. En. per Res.: -3.1698
• 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	-46.1571	-29.0297	-156.745	-231.9318	75	6	5	6058	2	13	14
A-C	-45.7546	-30.7924	-164.359	-240.906	76	5	5	6258	2	13	17
B-C	-48.5911	-29.2097	-156.054	-233.8548	75	6	5	6115	2	13	17

Interface residues

• A-B: ALA100A, ALA102A, ALA104A, ALA107A, ALA111A, ALA112A, ALA21A, ALA221B, ALA224B, ALA245B, ALA260B, ALA274B, ALA304B, ALA307B, ALA57A, ALA60A, ASN101A, ASN18A, ASP19A, ASP243B, ASP95A, GLN55A, GLU244B, GLU96A, GLY105A, GLY17A, GLY226B, GLY229B, GLY247B, GLY258B, GLY262B, GLY305B, GLY58A, GLY81A, HIS110A, HIS222B, HIS22A, HIS97A, LEU108A, LEU240B, LEU242B, LEU249B, LEU275B, LEU308B, LYS248B, LYS256B, LYS279B, LYS56A, LYS79A, LYS98A, LYS99A, MET241B, PHE103A, PHE303B, PHE83A, PRO20A, PRO220B, SER106A, SER109A, SER227B, SER228B, SER259B, SER280B, SER306B, SER59A, SER80A, THR223B, THR225B, THR246B, THR273B, THR82A, TRP52A, TYR277B, VAL250B, VAL261B
• A-C: ALA104A, ALA107A, ALA21A, ALA24A, ALA421C, ALA457C, ALA45A, ALA460C, ALA500C, ALA502C, ALA504C, ALA507C, ALA511C, ALA512C, ALA60A, ALA74A, ASN418C, ASN501C, ASP419C, ASP43A, ASP495C, GLN455C, GLU44A, GLU496C, GLY105A, GLY26A, GLY29A, GLY417C, GLY458C, GLY47A, GLY481C, GLY505C, GLY58A, GLY62A, HIS22A, HIS422C, HIS497C, HIS510C, LEU108A, LEU40A, LEU42A, LEU49A, LEU508C, LEU75A, LYS456C, LYS479C, LYS48A, LYS498C, LYS499C, LYS56A, LYS79A, MET41A, PHE103A, PHE483C, PHE503C, PRO20A, PRO420C, SER106A, SER27A, SER28A, SER459C, SER480C, SER506C, SER509C, SER59A, SER80A, THR23A, THR25A, THR46A, THR482C, THR485C, THR73A, TRP452C, TYR77A, VAL50A, VAL61A
• B-C: ALA221B, ALA257B, ALA260B, ALA300B, ALA302B, ALA304B, ALA307B, ALA311B, ALA312B, ALA421C, ALA424C, ALA445C, ALA460C, ALA474C, ALA504C, ALA507C, ASN218B, ASN301B, ASP219B, ASP295B, ASP443C, GLN255B, GLU296B, GLU444C, GLY217B, GLY258B, GLY281B, GLY305B, GLY426C, GLY429C, GLY447C, GLY458C, GLY462C, GLY505C, HIS222B, HIS297B, HIS310B, HIS422C, LEU308B, LEU440C, LEU442C, LEU449C, LEU475C, LEU508C, LYS256B, LYS279B, LYS298B, LYS299B, LYS448C, LYS456C, LYS479C, MET441C, PHE283B, PHE303B, PHE503C, PRO220B, PRO420C, SER259B, SER280B, SER306B, SER309B, SER427C, SER428C, SER459C, SER480C, SER506C, THR282B, THR423C, THR425C, THR446C, THR473C, TRP252B, TYR477C, VAL450C, VAL461C