3E29

x-ray structure of the protein q7we92_borbr from thioesterase superfamily. northeast structural genomics consortium target bor214a.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 112
  • Norm. En. per Res.: -3.9571
• Hub Node: A(3)

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	-27.7152	-53.3166	-295.946	-376.9778	115	12	5	11462	4	44	29
A-C	-5.5323	2.7338	-30.986	-33.7845	27	1	0	1327	2	12	13
A-D	-28.8986	-6.2412	-110.5	-145.6398	56	2	0	4761	4	24	41
B-C	-21.0528	9.7432	-121.126	-132.4357	58	2	0	5071	4	23	41
B-D	0.0	33.6465	-45.2712	-11.6247	29	5	0	2110	2	12	12
C-D	-43.3996	-89.0445	-310.756	-443.2001	112	9	5	11717	7	45	29

Interface residues

• A-B: ALA125A, ALA125B, ALA129A, ALA129B, ALA135B, ALA59A, ALA59B, ALA64A, ALA64B, ALA65A, ALA65B, ARG128A, ARG128B, ARG134A, ARG15A, ARG15B, ARG20A, ARG20B, ARG41A, ARG41B, ARG51A, ARG51B, ASN14A, ASN14B, ASN19A, ASN19B, ASP63A, ASP63B, ASP67A, ASP67B, ASP82A, ASP82B, ASP86A, ASP86B, GLU42A, GLU42B, GLU43A, GLU43B, GLU49A, GLU49B, GLY127A, GLY127B, GLY55A, GLY55B, GLY56A, GLY56B, HIS54A, HIS54B, HIS84A, HIS84B, HIS88A, HIS88B, ILE45A, ILE45B, ILE50A, ILE50B, ILE57A, ILE57B, LEU130A, LEU130B, LEU22A, LEU22B, LEU44A, LEU44B, LEU58A, LEU58B, LEU61A, LEU61B, PHE12A, PHE12B, PHE18A, PHE18B, PRO17A, PRO17B, PRO48A, PRO48B, PRO77A, PRO77B, PRO79A, PRO79B, SER126A, SER126B, SER16A, SER16B, SER46A, SER46B, SER47A, SER47B, SER52A, SER52B, THR53A, THR53B, THR60A, THR60B, THR80A, THR80B, TRP21A, TRP21B, TRP40A, TRP40B, TYR131A, TYR131B, TYR68A, TYR68B, TYR87A, TYR87B, VAL13A, VAL13B, VAL62A, VAL62B, VAL78A, VAL85A, VAL85B, VAL90A, VAL90B
• A-C: ALA129A, ALA129C, ARG108A, ARG108C, ARG128A, ARG128C, ARG134A, ARG134C, ASP82A, ASP82C, ASP86A, ASP86C, HIS84A, HIS84C, ILE133A, ILE133C, LEU130A, LEU130C, LEU132A, LEU132C, PHE109A, PHE109C, THR111A, THR111C, TYR131C, VAL85A, VAL85C
• A-D: ALA110A, ALA110D, ALA112A, ALA112D, ALA114A, ALA114D, ALA125A, ALA125D, ALA129A, ALA129D, ARG108A, ARG115A, ARG115D, ARG128A, ARG128D, ARG89A, ARG89D, ASN122A, ASN122D, ASP82A, ASP82D, ASP86A, ASP86D, GLN101A, GLY106A, GLY106D, GLY127A, GLY127D, HIS104A, HIS104D, HIS113A, HIS113D, HIS84A, HIS84D, HIS88A, HIS88D, ILE103A, ILE103D, LEU123A, LEU123D, LEU130A, LEU130D, PHE105A, PHE105D, PHE109A, PHE109D, SER126A, SER126D, THR111A, THR111D, TYR87A, TYR87D, VAL124A, VAL124D, VAL85A, VAL85D
• B-C: ALA110B, ALA110C, ALA112B, ALA112C, ALA114B, ALA114C, ALA125B, ALA125C, ALA129B, ALA129C, ARG115B, ARG115C, ARG128B, ARG128C, ARG89B, ARG89C, ASN122B, ASN122C, ASP82B, ASP82C, ASP86B, ASP86C, GLN101B, GLN101C, GLY106B, GLY106C, GLY127B, GLY127C, HIS104B, HIS104C, HIS113B, HIS113C, HIS84B, HIS84C, HIS88B, HIS88C, ILE103B, ILE103C, LEU123B, LEU123C, LEU130B, LEU130C, LYS107B, PHE105B, PHE105C, PHE109B, PHE109C, SER126B, SER126C, THR111B, THR111C, TYR87B, TYR87C, VAL102C, VAL124B, VAL124C, VAL85B, VAL85C
• B-D: ALA129B, ALA129D, ALA135B, ARG108B, ARG108D, ARG128B, ARG128D, ARG134B, ARG134D, ASP82B, ASP82D, ASP86B, ASP86D, HIS84B, HIS84D, ILE133B, ILE133D, LEU130B, LEU130D, LEU132B, LEU132D, LYS107B, LYS107D, PHE109B, PHE109D, THR111B, THR111D, TYR131D, VAL85D
• C-D: ALA125C, ALA125D, ALA129C, ALA129D, ALA59C, ALA59D, ALA64C, ALA64D, ALA65C, ALA65D, ARG128C, ARG128D, ARG134C, ARG15C, ARG15D, ARG20C, ARG20D, ARG41C, ARG41D, ARG51C, ARG51D, ASN14C, ASN14D, ASN19C, ASN19D, ASP63C, ASP63D, ASP67C, ASP67D, ASP82C, ASP82D, ASP86C, ASP86D, GLU42C, GLU42D, GLU43C, GLU43D, GLU49C, GLU49D, GLY127C, GLY127D, GLY55C, GLY55D, GLY56C, GLY56D, HIS54C, HIS54D, HIS84C, HIS84D, HIS88C, HIS88D, ILE45C, ILE45D, ILE50C, ILE50D, ILE57C, ILE57D, LEU130C, LEU130D, LEU22C, LEU22D, LEU44C, LEU44D, LEU58C, LEU58D, LEU61C, LEU61D, PHE12C, PHE12D, PHE18C, PHE18D, PRO17C, PRO17D, PRO48C, PRO48D, PRO77C, PRO77D, PRO79C, PRO79D, SER126C, SER126D, SER16C, SER16D, SER46C, SER46D, SER47C, SER47D, SER52C, SER52D, THR53C, THR53D, THR60C, THR60D, THR80C, THR80D, TRP21C, TRP21D, TRP40C, TRP40D, TYR131C, TYR131D, TYR68C, TYR68D, TYR87C, TYR87D, VAL13C, VAL13D, VAL62D, VAL85C, VAL85D, VAL90C, VAL90D