3U02

crystal structure of the trna modifier tias from pyrococcus furiosus, northeast structural genomics consortium target pfr225

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 113
  • Norm. En. per Res.: -4.4037
• 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	-125.6574	-0.7423	-478.471	-604.8707	148	18	14	17754	1	38	58
A-C	-91.6039	31.5388	-416.81	-476.8751	116	13	4	15086	1	28	40
A-D	0.0	-10.2545	-43.5843	-53.8388	32	1	1	1537	1	17	22
B-C	0.0	-16.5839	-41.9229	-58.5068	31	1	1	1442	1	14	20
B-D	-85.343	5.6689	-417.94	-497.6141	113	15	4	14620	4	25	40
C-D	-100.9665	12.1578	-456.821	-545.6298	152	15	14	17946	1	41	60

Interface residues

• A-B: ALA184A, ALA184B, ALA23A, ALA23B, ALA33A, ALA33B, ARG175A, ARG27A, ARG27B, ASN195A, ASN195B, ASP185A, ASP185B, ASP194A, ASP194B, ASP221A, ASP221B, ASP37A, ASP37B, ASP65A, ASP65B, GLN227A, GLN227B, GLN242A, GLN242B, GLU179A, GLU179B, GLU230A, GLU230B, GLU235A, GLU235B, GLU236A, GLU236B, GLU239A, GLU239B, GLU28A, GLU28B, GLU34A, GLU34B, GLU66A, GLU66B, GLU67A, GLU67B, GLU71A, GLY223A, GLY223B, ILE177A, ILE177B, ILE217A, ILE217B, ILE225A, ILE225B, ILE232A, ILE232B, ILE234A, ILE234B, ILE238A, ILE238B, ILE29A, ILE29B, ILE32A, ILE32B, ILE64A, ILE64B, LEU161A, LEU161B, LEU162A, LEU162B, LEU226A, LEU226B, LEU2A, LEU2B, LEU36A, LEU36B, LYS166A, LYS166B, LYS178B, LYS186A, LYS186B, LYS224A, LYS224B, LYS233A, LYS233B, LYS245A, LYS245B, LYS31A, LYS31B, LYS63A, LYS63B, LYS68A, LYS68B, PHE182A, PHE182B, PHE191A, PHE191B, PHE229A, PHE229B, PHE240A, PHE240B, PHE241A, PHE241B, PHE38A, PHE38B, PHE62A, PHE62B, PRO190A, PRO190B, PRO237A, PRO237B, PRO35A, PRO35B, PRO39A, PRO39B, SER180A, SER180B, SER188A, SER188B, SER30A, SER30B, SER61A, SER61B, THR192A, THR192B, TRP187A, TRP187B, TYR159A, TYR159B, TYR169A, TYR169B, TYR183A, TYR183B, TYR189A, TYR189B, TYR193A, TYR193B, TYR244A, TYR244B, TYR26A, TYR26B, VAL181A, VAL181B, VAL196B, VAL222A, VAL222B, VAL228A, VAL228B, VAL243A, VAL243B
• A-C: ALA148A, ALA148C, ALA149A, ALA149C, ARG115A, ARG115C, ARG201A, ARG201C, ARG40A, ARG40C, ASN195A, ASN195C, ASN247A, ASN247C, ASN249C, ASP185A, ASP185C, ASP194A, ASP194C, ASP197A, ASP197C, ASP37A, ASP37C, GLU101A, GLU101C, GLU105A, GLU105C, GLU107A, GLU107C, GLU108A, GLU108C, GLU155A, GLU155C, GLY100A, GLY100C, GLY151A, GLY151C, HIS4A, HIS4C, ILE150A, ILE150C, ILE220A, ILE220C, LEU106A, LEU106C, LEU111A, LEU111C, LEU114A, LEU114C, LEU154A, LEU154C, LEU2A, LEU2C, LEU36A, LEU36C, LEU98A, LEU98C, LYS104A, LYS104C, LYS156A, LYS156C, LYS186A, LYS186C, LYS200A, LYS200C, LYS224A, LYS224C, LYS245A, LYS245C, LYS63A, LYS63C, PHE109C, PHE157A, PHE157C, PHE191A, PHE191C, PHE38A, PHE38C, PHE62A, PHE62C, PRO103A, PRO103C, PRO153A, PRO153C, PRO190A, PRO190C, PRO198A, PRO198C, SER110A, SER110C, SER188A, SER188C, SER61A, SER61C, THR192A, THR192C, THR202A, THR202C, THR250A, THR250C, TRP187A, TRP187C, TYR152A, TYR152C, TYR159A, TYR159C, TYR189A, TYR189C, TYR193A, TYR193C, TYR199A, TYR199C, VAL102A, VAL102C, VAL196A, VAL196C
• A-D: ALA184A, ALA184D, ASP185A, ASP185D, ASP65A, ASP65D, GLN227A, GLN227D, GLU101A, GLU101D, ILE64A, ILE64D, LEU2A, LEU2D, LEU36A, LEU36D, LYS186A, LYS186D, LYS63A, LYS63D, PHE191A, PRO190A, PRO190D, SER188A, SER188D, THR192A, TRP187A, TRP187D, TYR189A, TYR189D, VAL102A, VAL102D
• B-C: ALA184B, ALA184C, ASP185B, ASP185C, ASP65B, ASP65C, GLN227B, GLN227C, GLU101B, GLU101C, ILE64B, ILE64C, LEU2B, LEU2C, LEU36B, LEU36C, LYS186B, LYS186C, LYS63B, LYS63C, PHE191B, PRO190B, PRO190C, SER188B, SER188C, TRP187B, TRP187C, TYR189B, TYR189C, VAL102B, VAL102C
• B-D: ALA148B, ALA148D, ALA149B, ALA149D, ARG115B, ARG115D, ARG201B, ARG201D, ARG40B, ARG40D, ASN195B, ASN195D, ASN247B, ASN247D, ASP185B, ASP185D, ASP194B, ASP194D, ASP197B, ASP197D, ASP37B, ASP37D, GLU101B, GLU101D, GLU105B, GLU105D, GLU107B, GLU107D, GLU108B, GLU108D, GLU155B, GLU155D, GLY100B, GLY100D, GLY151B, GLY151D, HIS4B, HIS4D, ILE150B, ILE150D, ILE220B, ILE220D, LEU106B, LEU106D, LEU111B, LEU111D, LEU114B, LEU114D, LEU154B, LEU154D, LEU2B, LEU2D, LEU36B, LEU36D, LEU98B, LEU98D, LYS104B, LYS104D, LYS156B, LYS156D, LYS186B, LYS186D, LYS200B, LYS200D, LYS224B, LYS224D, LYS245B, LYS245D, LYS63B, LYS63D, PHE157B, PHE157D, PHE191B, PHE191D, PHE38B, PHE38D, PHE62B, PHE62D, PRO103B, PRO103D, PRO153B, PRO153D, PRO190B, PRO190D, PRO198B, PRO198D, SER110B, SER110D, SER188B, SER188D, SER61B, SER61D, THR192B, THR192D, THR202B, THR202D, THR250B, TRP187B, TRP187D, TYR152B, TYR152D, TYR159B, TYR159D, TYR189B, TYR189D, TYR193B, TYR193D, TYR199B, TYR199D, VAL102B, VAL102D, VAL196B, VAL196D
• C-D: ALA184C, ALA184D, ALA23C, ALA23D, ALA33C, ALA33D, ARG175C, ARG27C, ARG27D, ASN195C, ASN195D, ASP185C, ASP185D, ASP194C, ASP194D, ASP197C, ASP197D, ASP221C, ASP221D, ASP37C, ASP37D, ASP65C, ASP65D, GLN227C, GLN227D, GLN242C, GLN242D, GLU101C, GLU101D, GLU179C, GLU179D, GLU230C, GLU230D, GLU235C, GLU235D, GLU236C, GLU236D, GLU239C, GLU239D, GLU28C, GLU28D, GLU34C, GLU34D, GLU66C, GLU66D, GLU67C, GLU67D, GLY223C, GLY223D, HIS4C, HIS4D, ILE177C, ILE177D, ILE217C, ILE217D, ILE225C, ILE225D, ILE232C, ILE232D, ILE234C, ILE234D, ILE238C, ILE238D, ILE24D, ILE29C, ILE29D, ILE32C, ILE32D, ILE64C, ILE64D, LEU161C, LEU161D, LEU162C, LEU162D, LEU226C, LEU226D, LEU2C, LEU2D, LEU36C, LEU36D, LYS166C, LYS166D, LYS178D, LYS186C, LYS186D, LYS224C, LYS224D, LYS233C, LYS233D, LYS245D, LYS31C, LYS31D, LYS63C, LYS63D, LYS68C, LYS68D, PHE182C, PHE182D, PHE191C, PHE191D, PHE229C, PHE229D, PHE240C, PHE240D, PHE241C, PHE241D, PHE38C, PHE38D, PHE62C, PHE62D, PRO190C, PRO190D, PRO237C, PRO237D, PRO35C, PRO35D, PRO39C, PRO39D, SER180C, SER180D, SER188C, SER188D, SER30C, SER30D, SER61C, SER61D, THR192C, THR192D, TRP187C, TRP187D, TYR159C, TYR159D, TYR183C, TYR183D, TYR189C, TYR189D, TYR193C, TYR193D, TYR244C, TYR244D, TYR26C, TYR26D, TYR79C, VAL181C, VAL181D, VAL196D, VAL222C, VAL222D, VAL228C, VAL228D, VAL243C, VAL243D