2GF6

crystal structure of a putative thioesterase (sso2295) from sulfolobus solfataricus at 1.91 a resolution

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 98
  • Norm. En. per Res.: -4.6343
• 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	-95.452	-32.9336	-325.774	-454.1596	98	15	15	10627	2	18	16
A-C	-16.816	5.4141	-92.0477	-103.4496	38	2	1	3728	0	13	16
C-D	-29.721	-23.846	-114.351	-167.9181	68	7	4	5451	2	26	22

Interface residues

• A-B: ALA112A, ALA112B, ALA19A, ALA19B, ALA23A, ALA23B, ALA26A, ALA26B, ALA27A, ALA27B, ALA60A, ALA60B, ALA64A, ALA64B, ARG30A, ARG30B, ARG68A, ARG68B, ASP18A, ASP18B, GLN110A, GLN110B, GLN20A, GLN20B, GLU105A, GLU105B, GLU61A, GLU61B, GLY106A, GLY106B, GLY21A, GLY21B, HIS24A, HIS24B, HIS63A, HIS63B, HIS67A, HIS67B, ILE109A, ILE109B, ILE111A, ILE111B, ILE113A, ILE113B, ILE22A, ILE22B, ILE50A, ILE50B, ILE59A, ILE59B, ILE65A, ILE65B, LEU55A, LEU55B, LYS71A, LYS71B, PHE32A, PHE32B, PHE57A, PHE57B, PHE94A, PHE94B, PRO115A, PRO115B, PRO49A, PRO49B, PRO69A, PRO69B, SER62A, SER62B, THR104A, THR104B, THR33A, THR33B, TRP118A, TRP118B, TRP56A, TRP56B, TYR107A, TYR107B, TYR25A, TYR25B, TYR28A, TYR28B, TYR29A, TYR29B, TYR48A, TYR48B, TYR66A, TYR66B, VAL108A, VAL108B, VAL51A, VAL51B, VAL58A, VAL58B, VAL70A, VAL70B
• A-C: ALA112C, ASN114C, ASN52C, ASN54C, ASN87A, ASN87C, ASP129A, GLU122A, GLU122C, GLU126A, GLU53C, ILE113C, ILE117C, ILE133A, ILE84A, ILE90A, LEU131A, LEU55C, LEU85A, LYS116C, LYS119C, LYS125A, LYS130A, LYS83A, LYS88A, LYS88C, PRO115C, PRO124A, PRO124C, SER120A, SER120C, SER132A, SER86A, THR121A, THR121C, THR89A, TRP118C, TRP56C
• C-D: ALA26C, ALA26D, ARG13C, ARG13D, ARG30C, ARG30D, ASN34C, ASN34D, ASP10C, ASP10D, ASP16C, ASP16D, GLN110C, GLN110D, GLU37C, GLU37D, GLY21C, GLY21D, GLY73C, GLY73D, ILE14C, ILE14D, ILE36C, ILE50C, ILE50D, ILE59C, ILE59D, LEU72C, LEU72D, LYS38C, LYS38D, LYS41C, LYS41D, LYS75C, LYS75D, PHE31C, PHE31D, PHE32C, PHE32D, PHE39C, PHE57C, PHE57D, PHE8C, PHE8D, PRO47C, PRO47D, PRO49C, PRO49D, THR17C, THR17D, THR33C, THR33D, THR35C, THR35D, TRP56C, TRP56D, TYR15C, TYR15D, TYR29C, TYR29D, TYR48C, TYR48D, VAL11C, VAL11D, VAL12C, VAL12D, VAL51C, VAL51D