3JRK

a putative tagatose 1,6-diphosphate aldolase from streptococcus pyogenes

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 92
  • Norm. En. per Res.: -5.4845
• 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	-44.2345	-5.4832	-169.288	-219.0057	104	2	0	7294	2	48	46
A-E	-15.676	-10.1409	-59.8082	-85.6251	61	2	1	3179	4	51	47
A-H	-74.5017	-101.9027	-305.473	-481.8774	92	8	3	11281	15	65	72
B-D	-23.6982	-0.8291	-105.643	-130.1702	46	6	1	4356	1	21	20
B-F	-93.0338	-94.099	-317.443	-504.5758	92	11	3	11466	15	65	72
C-E	-44.4513	4.7498	-166.471	-206.1725	104	5	0	7283	2	51	46
C-G	-61.3959	-91.0388	-290.346	-442.7807	91	11	3	11147	11	64	72
C-H	0.0	-16.128	-3.9339	-20.0619	18	0	0	330	1	11	14
E-H	0.0	3.5177	-1.4005	2.1172	11	0	0	119	0	8	9

Interface residues

• A-B: ALA215A, ALA215B, ALA226A, ALA226B, ALA227A, ALA227B, ALA250A, ALA250B, ALA275A, ALA275B, ALA278A, ALA278B, ARG274A, ARG274B, ASN303A, ASN303B, ASP216A, ASP216B, ASP255A, ASP255B, ASP305B, GLN254A, GLN254B, GLN34A, GLN34B, GLU212A, GLU212B, GLU218A, GLU218B, GLU224A, GLU224B, GLU225A, GLU225B, GLU262A, GLU262B, GLU299A, GLU299B, GLU306A, GLU306B, GLY213A, GLY213B, GLY217A, GLY217B, GLY247A, GLY247B, GLY279A, GLY279B, GLY300A, GLY300B, HIS35A, HIS35B, ILE304A, ILE304B, LEU220A, LEU220B, LEU252A, LEU252B, LEU307A, LEU307B, LYS177A, LYS209A, LYS209B, LYS223A, LYS223B, LYS251A, LYS251B, LYS282A, LYS282B, LYS302A, LYS302B, PHE214A, PHE214B, PHE221A, PHE221B, PHE253A, PHE253B, PHE259A, PHE259B, SER249A, SER249B, SER280A, SER280B, THR222A, THR222B, THR256A, THR256B, THR276A, THR276B, THR298A, THR298B, TRP277A, TRP277B, TRP295A, TRP295B, VAL211A, VAL211B, VAL219A, VAL219B, VAL248A, VAL248B, VAL258A, VAL258B, VAL283A, VAL283B
• A-E: ALA115A, ALA117A, ALA186E, ALA235E, ALA73A, ALA81A, ARG194E, ARG231E, ARG293A, ARG297A, ARG75A, ARG77A, ASN135E, ASN184E, ASN3A, ASP129E, ASP232E, ASP238E, GLN132E, GLN228E, GLU114A, GLU118A, GLU136E, GLU143E, GLU152A, GLU185E, GLU193E, GLU234E, GLU54A, GLU55A, GLU79A, GLU80A, GLY116A, GLY264E, GLY82A, HIS181E, ILE112A, ILE128E, LEU239E, LEU71A, LEU83A, LYS10A, LYS110A, LYS113A, LYS139E, LYS188E, LYS192E, PHE195E, PRO58A, PRO72A, SER191E, SER236E, SER50A, SER53A, SER74A, SER78A, THR237E, THR57A, TYR126E, VAL189E, VAL76A
• A-H: ALA109A, ALA109H, ALA140A, ALA140H, ALA151A, ALA151H, ARG111A, ARG111H, ARG144A, ARG144H, ARG150A, ARG150H, ARG194A, ARG194H, ASN135A, ASN135H, ASP102A, ASP102H, ASP105A, ASP105H, ASP133A, ASP133H, ASP153A, ASP153H, CYS103A, CYS103H, CYS149A, CYS149H, GLN132A, GLN132H, GLN137A, GLN137H, GLU114A, GLU114H, GLU136A, GLU136H, GLU143A, GLU143H, GLU148A, GLU148H, GLU152A, GLU152H, GLU193A, GLU193H, GLU88A, GLU88H, GLY146A, GLY146H, GLY196A, GLY196H, ILE112A, ILE112H, ILE142A, ILE142H, ILE145A, ILE145H, LEU100A, LEU100H, LEU104A, LEU104H, LYS110A, LYS110H, LYS113A, LYS113H, LYS138A, LYS138H, LYS139A, LYS139H, LYS192A, LYS192H, LYS89A, LYS89H, PHE122A, PHE122H, PHE190A, PHE190H, PHE195A, PHE195H, SER108A, SER108H, SER147A, SER147H, TRP107A, TRP107H, TYR141A, TYR141H, TYR87A, TYR87H, VAL106A, VAL106H, VAL134A, VAL134H
• B-D: ALA168D, ALA291B, ALA292B, ALA94D, ARG293B, ARG297B, ARG99D, ASN170D, ASP127D, ASP164D, ASP169D, ASP93D, GLN290B, GLN44B, GLU165D, GLU174D, GLU286B, GLU287B, GLU294B, GLU43B, GLU46B, GLU47B, GLU54B, GLU55B, GLY288B, ILE167D, ILE285B, ILE45B, LEU48B, LEU51B, LYS166D, LYS38B, PRO289B, SER172D, SER98D, THR41B, THR95D, THR96D, THR97D, TRP295B, TYR163D, TYR284B, TYR92D, VAL283B, VAL42B, VAL76B
• B-F: ALA109B, ALA109F, ALA140B, ALA140F, ALA151B, ALA151F, ARG111B, ARG111F, ARG144B, ARG144F, ARG150B, ARG150F, ARG194B, ARG194F, ASN135B, ASN135F, ASP102B, ASP102F, ASP105B, ASP105F, ASP133B, ASP133F, ASP153B, ASP153F, CYS103B, CYS103F, CYS149B, CYS149F, GLN132B, GLN132F, GLN137B, GLN137F, GLU114B, GLU114F, GLU136B, GLU136F, GLU143B, GLU143F, GLU148B, GLU148F, GLU152B, GLU152F, GLU193B, GLU193F, GLU88B, GLU88F, GLY146B, GLY146F, GLY196B, GLY196F, ILE112B, ILE112F, ILE142B, ILE142F, ILE145B, ILE145F, LEU100B, LEU100F, LEU104B, LEU104F, LYS110B, LYS110F, LYS113B, LYS113F, LYS138B, LYS138F, LYS139B, LYS139F, LYS192B, LYS192F, LYS89B, LYS89F, PHE122B, PHE122F, PHE190B, PHE190F, PHE195B, PHE195F, SER108B, SER108F, SER147B, SER147F, TRP107B, TRP107F, TYR141B, TYR141F, TYR87B, TYR87F, VAL106B, VAL106F, VAL134B, VAL134F
• C-E: ALA215C, ALA215E, ALA226C, ALA226E, ALA227C, ALA227E, ALA250C, ALA250E, ALA275C, ALA275E, ALA278C, ALA278E, ARG274C, ARG274E, ASN303C, ASN303E, ASP216C, ASP216E, ASP255C, ASP255E, GLN254C, GLN254E, GLN34C, GLN34E, GLU212C, GLU212E, GLU218C, GLU218E, GLU224C, GLU224E, GLU225C, GLU225E, GLU262C, GLU262E, GLU299C, GLU299E, GLU306C, GLU306E, GLY213C, GLY213E, GLY217C, GLY217E, GLY247C, GLY247E, GLY279C, GLY279E, GLY300C, GLY300E, HIS35C, HIS35E, ILE304C, ILE304E, LEU220C, LEU220E, LEU252C, LEU252E, LYS209C, LYS209E, LYS223C, LYS223E, LYS251C, LYS251E, LYS282C, LYS282E, LYS302C, LYS302E, LYS313C, LYS313E, PHE214C, PHE214E, PHE221C, PHE221E, PHE253C, PHE253E, PHE259C, PHE259E, PHE301E, SER249C, SER249E, SER263E, SER280C, SER280E, THR222C, THR222E, THR256C, THR256E, THR276C, THR276E, THR298C, THR298E, TRP277C, TRP277E, TRP295C, TRP295E, VAL211C, VAL211E, VAL219C, VAL219E, VAL248C, VAL248E, VAL258C, VAL258E, VAL283C, VAL283E
• C-G: ALA109C, ALA109G, ALA140C, ALA140G, ALA151C, ALA151G, ARG111C, ARG111G, ARG144C, ARG144G, ARG150C, ARG150G, ARG194C, ARG194G, ASN135C, ASN135G, ASP102C, ASP102G, ASP105C, ASP105G, ASP133C, ASP133G, ASP153C, ASP153G, CYS103C, CYS103G, CYS149C, CYS149G, GLN132C, GLN132G, GLN137C, GLN137G, GLU114C, GLU114G, GLU136C, GLU136G, GLU143C, GLU143G, GLU148C, GLU148G, GLU152C, GLU152G, GLU193C, GLU193G, GLU88C, GLU88G, GLY146C, GLY146G, GLY196C, GLY196G, ILE112C, ILE112G, ILE142C, ILE142G, ILE145C, ILE145G, LEU100C, LEU100G, LEU104C, LEU104G, LYS110C, LYS110G, LYS113C, LYS113G, LYS138C, LYS138G, LYS139C, LYS139G, LYS192C, LYS192G, LYS89C, LYS89G, PHE122C, PHE122G, PHE190G, PHE195C, PHE195G, SER108C, SER108G, SER147C, SER147G, TRP107C, TRP107G, TYR141C, TYR141G, TYR87C, TYR87G, VAL106C, VAL106G, VAL134C, VAL134G
• C-H: ARG293C, ARG297C, ARG5H, ASP238H, ASP305C, GLN290C, GLU193H, GLU294C, GLU2H, GLU80C, LYS302C, LYS309C, PHE59C, PRO317H, PRO58C, THR1H, THR298C, THR319H
• E-H: ALA227E, ARG150H, ARG194H, ARG231E, GLU193H, GLU224E, GLU262E, GLY264E, LYS192H, LYS266E, SER263E