3MPR

crystal structure of endonuclease/exonuclease/phosphatase family protein from bacteroides thetaiotaomicron, northeast structural genomics consortium target btr318a

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -4.8453
• 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	-74.4494	-62.007	-425.597	-562.0534	116	20	9	14147	8	34	20
A-C	-92.0154	-17.6718	-193.926	-303.6133	67	9	0	6112	5	56	77
A-D	0.0	-3.2646	-53.3022	-56.5668	48	1	0	2640	1	26	25
B-C	-48.5169	-46.7276	-97.6447	-192.8892	62	16	0	4583	7	40	35
B-D	0.0	0.0	91.8024	91.8024	23	27	0	519	1	0	2
C-D	0.0	-38.8162	-47.0154	-85.8316	40	2	0	2163	2	19	16

Interface residues

• A-B: ALA209A, ALA209B, ALA271A, ALA271B, ALA274A, ALA274B, ALA36A, ALA36B, ALA63A, ALA63B, ARG207A, ARG207B, ARG240A, ARG240B, ARG249A, ARG249B, ARG252A, ARG252B, ARG275A, ARG275B, ARG89A, ARG89B, ASN211A, ASN211B, ASN215A, ASN215B, ASN220A, ASN220B, ASP218A, ASP218B, ASP246A, ASP246B, ASP43A, ASP43B, GLN37A, GLN37B, GLN40A, GLN40B, GLU224A, GLU224B, GLU273A, GLU273B, GLU286A, GLU286B, GLY212A, GLY212B, GLY242A, GLY242B, HIS42A, HIS42B, ILE35A, ILE35B, LEU210A, LEU210B, LEU244A, LEU244B, LEU64A, LEU64B, LYS270A, LYS270B, LYS284A, LYS284B, PHE222A, PHE222B, PHE281A, PHE281B, PHE44A, PHE44B, PRO219A, PRO219B, PRO277A, PRO277B, PRO282A, PRO282B, PRO33A, PRO33B, PRO65A, PRO65B, SER221A, SER221B, SER250A, SER250B, THR223A, THR223B, THR245A, THR245B, THR247A, THR247B, THR276A, THR276B, THR8A, THR8B, TYR206A, TYR206B, TYR208A, TYR208B, TYR241A, TYR241B, TYR248A, TYR248B, TYR272A, TYR272B, TYR41A, TYR41B, VAL243A, VAL243B, VAL251A, VAL251B, VAL283A, VAL283B, VAL285A, VAL285B, VAL34A, VAL34B, VAL39A, VAL39B
• A-C: ALA209A, ALA209C, ARG207A, ARG207C, ARG240A, ARG240C, ASP205A, ASP205C, ASP290A, ASP290C, CYS204A, CYS204C, GLN3C, GLU202A, GLU202C, GLU286A, GLU286C, GLU292A, GLU292C, HIS237A, HIS237C, HIS293A, HIS293C, HIS294A, HIS294C, HIS295A, HIS295C, HIS296A, HIS296C, HIS297A, HIS297C, HIS298A, HIS298C, LEU210A, LEU210C, LEU291A, LEU291C, LYS203A, LYS203C, LYS239A, LYS239C, PHE236A, PHE236C, PHE289A, PHE289C, PRO234A, PRO234C, PRO4A, PRO4C, SER200A, SER200C, SER235A, SER235C, SER6A, SER6C, TYR201A, TYR201C, TYR206A, TYR206C, TYR208A, TYR208C, TYR241A, TYR241C, VAL238A, VAL238C, VAL288A, VAL288C
• A-D: ALA190A, ALA209D, ARG151A, ARG151D, ARG207A, ARG207D, ARG226A, ARG226D, ASP182A, ASP182D, ASP189A, ASP189D, ASP205D, CYS204D, GLN183A, GLN183D, GLN186A, GLN186D, GLU202A, GLU202D, GLU224A, GLU224D, HIS185A, HIS185D, HIS298A, LYS148A, LYS148D, LYS194A, LYS194D, LYS203A, LYS203D, PHE156A, PHE222A, PHE222D, SER187A, SER193A, SER193D, SER225A, SER225D, THR184A, THR184D, THR223D, TYR188A, TYR201A, TYR201D, VAL152A, VAL181A, VAL192A
• B-C: ALA36B, ALA63B, ARG89B, ASN170C, ASP131B, ASP290C, ASP43B, ASP45B, ASP68B, ASP91B, ASP94B, CYS129B, GLN37B, GLN3B, GLN3C, GLN40B, GLU135C, GLU292C, GLU62B, GLY133B, GLY133C, GLY168C, GLY66B, HIS126C, HIS293C, HIS294C, HIS295C, HIS296C, HIS297C, HIS298C, HIS42B, ILE95B, LEU171C, LEU291C, LEU64B, LEU7B, LYS128B, LYS128C, LYS130B, LYS169C, LYS61B, LYS92B, PHE134B, PHE134C, PHE289C, PHE44B, PHE93B, PRO172C, PRO33B, PRO4B, PRO65B, SER1C, SER6B, THR132B, THR132C, THR5B, THR90B, TYR2C, TYR41B, TYR67B, TYR88B, VAL34B
• B-D: ALA85D, ARG74D, ASN140D, ASP100D, CYS122D, GLY71D, GLY73D, GLY77D, GLY99D, HIS1B, HIS83D, ILE121D, ILE146D, ILE70D, ILE86D, LYS270B, LYS98D, PHE101D, SER123D, SER84D, TRP102D, TRP124D, VAL72D
• C-D: ALA190C, ARG167D, ARG207C, ASN170D, ASP182C, ASP189C, ASP189D, ASP199C, CYS198C, GLN159D, GLN183C, GLN186C, GLN186D, GLU153D, GLU160D, GLU164D, GLU202C, GLU224C, GLY166D, GLY168D, GLY195C, GLY195D, HIS185C, HIS298C, LEU197C, LYS148C, LYS163D, LYS169D, LYS194C, LYS194D, LYS203C, PHE156D, SER187C, SER193C, SER193D, THR184C, TYR188C, VAL152C, VAL192C, VAL196D