3BWL

crystal structure of pas domain of htr-like protein from haloarcula marismortui

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -5.0032
• 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	-74.3036	-125.0649	-451.046	-650.4146	130	14	11	18796	14	96	94
A-C	0.0	0.0	-0.3155	-0.3155	10	0	0	89	0	2	8
B-C	-6.288	-15.1764	-38.9229	-60.3873	26	0	0	1714	2	18	17
B-D	0.0	0.0	-0.1317	-0.1317	10	0	0	46	0	3	4
C-D	-19.8174	-63.9735	-432.149	-515.9399	123	6	10	17918	10	76	73

Interface residues

• A-B: ALA404A, ALA404B, ALA431A, ALA431B, ALA503A, ALA503B, ARG388A, ARG388B, ARG391A, ARG391B, ARG394A, ARG394B, ARG401A, ARG401B, ARG428A, ARG428B, ARG469A, ARG469B, ARG470A, ARG470B, ARG492A, ARG492B, ARG500A, ARG500B, ARG506A, ARG506B, ASN385A, ASN408A, ASN408B, ASN426A, ASN426B, ASN494A, ASN494B, ASP411A, ASP411B, ASP414A, ASP414B, ASP467A, ASP467B, ASP507A, ASP507B, CYS423A, CYS423B, GLU387B, GLU392A, GLU392B, GLU396A, GLU396B, GLU397A, GLU397B, GLU403A, GLU403B, GLU407A, GLU407B, GLU424A, GLU424B, GLU432A, GLU432B, GLU468A, GLU468B, GLU473A, GLU473B, GLU487A, GLU487B, GLU496A, GLU496B, GLU498A, HIS489A, HIS489B, ILE413A, ILE413B, ILE504A, ILE504B, ILE508A, ILE508B, LEU395A, LEU395B, LEU402A, LEU402B, LEU405A, LEU405B, LEU416A, LEU441A, LEU490A, LEU490B, LEU491A, LEU491B, LEU495A, LEU495B, LEU502A, LEU502B, LYS389A, LYS389B, LYS393A, LYS393B, LYS471A, LYS471B, PHE406A, PHE406B, PHE429B, PHE464A, PHE464B, PHE472A, PHE472B, PHE493A, PHE493B, PHE501A, PHE501B, PRO410A, PRO410B, SER399A, SER399B, SER400A, SER400B, SER409A, SER409B, SER485A, SER485B, SER505A, SER505B, THR398A, THR398B, VAL415A, VAL415B, VAL425A, VAL425B, VAL486A, VAL486B, VAL488A, VAL488B
• A-C: ALA404A, ALA431A, ARG470C, ASN408A, GLN427A, GLU468C, GLY463C, SER462C, SER465C, THR459C
• B-C: ARG469C, ARG470C, ARG492B, ASN494B, ASP467B, ASP467C, ASP499B, GLN460C, GLU468B, GLU468C, GLU496B, GLU498B, GLY463C, GLY497B, HIS489C, LEU491B, LEU491C, LEU495B, LYS471C, PHE464C, PHE472C, PHE493B, SER465B, SER465C, VAL466B, VAL466C
• B-D: ARG492B, ASP507D, GLN458B, GLY463B, ILE508D, PHE464B, SER462B, SER465B, SER482D, THR483D
• C-D: ALA404C, ALA404D, ALA431C, ALA431D, ALA503C, ALA503D, ARG388D, ARG391D, ARG394D, ARG401C, ARG401D, ARG428C, ARG428D, ARG469C, ARG469D, ARG470C, ARG470D, ARG492C, ARG492D, ARG500C, ARG500D, ARG506C, ARG506D, ASN408C, ASN408D, ASN426C, ASN426D, ASN494C, ASN494D, ASP411C, ASP411D, ASP414C, ASP414D, ASP467C, ASP467D, ASP507C, ASP507D, CYS423C, CYS423D, GLU392D, GLU396C, GLU396D, GLU397C, GLU397D, GLU403C, GLU403D, GLU407C, GLU407D, GLU424C, GLU424D, GLU432C, GLU432D, GLU468C, GLU468D, GLU473C, GLU473D, GLU487C, GLU487D, GLU496C, GLU496D, GLU498D, GLY497C, GLY497D, HIS489C, HIS489D, ILE413C, ILE413D, ILE504C, ILE504D, ILE508C, ILE508D, LEU395C, LEU395D, LEU402C, LEU402D, LEU405C, LEU405D, LEU416C, LEU416D, LEU441D, LEU490C, LEU490D, LEU491C, LEU491D, LEU495C, LEU495D, LEU502C, LEU502D, LYS389D, LYS393D, LYS471C, LYS471D, PHE406C, PHE406D, PHE429D, PHE464C, PHE464D, PHE472C, PHE472D, PHE493C, PHE493D, PHE501C, PHE501D, PRO410C, PRO410D, SER399C, SER399D, SER400C, SER400D, SER409C, SER409D, SER505C, SER505D, THR398C, THR398D, VAL415C, VAL415D, VAL425C, VAL425D, VAL486C, VAL486D, VAL488C, VAL488D