2C44

crystal structure of e. coli tryptophanase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 121
  • Norm. En. per Res.: -8.2558
• 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	-125.0485	24.8185	-565.972	-666.202	213	19	13	23103	12	59	67
A-C	-243.3211	-165.3865	-602.179	-1010.8866	125	28	20	22553	8	47	39
A-D	-13.9259	-80.7921	-128.927	-223.645	54	14	3	4913	2	18	11
B-C	-15.5163	-79.7087	-114.321	-209.5461	54	6	3	4665	2	18	11
B-D	-246.2874	-165.2356	-587.432	-998.955	121	34	20	22208	8	49	41
C-D	-124.2641	25.0776	-573.966	-673.1525	210	16	14	23206	12	60	68

Interface residues

• A-B: ALA314A, ALA314B, ALA466A, ALA466B, ALA58A, ALA58B, ALA65A, ALA65B, ALA73A, ALA73B, ARG103A, ARG103B, ARG295A, ARG295B, ARG317A, ARG317B, ARG392A, ARG392B, ARG462A, ARG462B, ARG69A, ARG69B, ARG78A, ARG78B, ASN146A, ASN146B, ASN37A, ASN37B, ASP137A, ASP137B, ASP289A, ASP289B, ASP42A, ASP42B, ASP45A, ASP45B, ASP49A, ASP49B, ASP53A, ASP53B, ASP71A, ASP71B, CYS298A, CYS298B, GLN101A, GLN101B, GLN107A, GLN107B, GLN301A, GLN301B, GLN64A, GLN64B, GLU106A, GLU106B, GLU17A, GLU17B, GLU293A, GLU293B, GLU302A, GLU302B, GLU311A, GLU311B, GLU44A, GLU44B, GLU457A, GLU457B, GLU72A, GLU72B, GLY102A, GLY102B, GLY104A, GLY104B, GLY141A, GLY141B, GLY277A, GLY277B, GLY303A, GLY303B, GLY308A, GLY308B, GLY309A, GLY309B, GLY312A, GLY312B, GLY313A, GLY313B, GLY55A, GLY55B, GLY57A, GLY57B, GLY70A, GLY70B, GLY76A, GLY76B, HIS100A, HIS100B, HIS142A, HIS142B, HIS463A, HIS463B, ILE108A, ILE108B, ILE145A, ILE145B, ILE16B, LEU297A, LEU297B, LEU310A, LEU310B, LEU40A, LEU40B, LEU41A, LEU41B, LEU461A, LEU461B, LEU51A, LEU51B, LYS20A, LYS20B, LYS269A, LYS269B, LYS270A, LYS270B, LYS459A, LYS459B, LYS467A, LYS467B, MET276A, MET276B, MET315A, MET315B, MET67A, MET67B, MET68A, MET68B, PHE288A, PHE288B, PHE304A, PHE304B, PHE39A, PHE39B, PHE464A, PHE464B, PRO18A, PRO18B, PRO275A, PRO275B, PRO305A, PRO305B, PRO38A, PRO38B, PRO423A, PRO423B, PRO458A, PRO458B, SER267A, SER43A, SER43B, SER54A, SER54B, SER75A, SER75B, SER77A, SER77B, SER79A, SER79B, THR138A, THR138B, THR292A, THR292B, THR296A, THR296B, THR306A, THR306B, THR426A, THR426B, THR465A, THR465B, THR52A, THR52B, THR56A, THR56B, THR99A, THR99B, TYR291B, TYR307A, TYR307B, TYR456A, TYR456B, TYR74A, TYR74B, TYR80A, TYR80B, TYR81A, TYR81B, VAL15A, VAL15B, VAL19A, VAL19B, VAL274A, VAL274B, VAL299A, VAL299B, VAL300A, VAL300B, VAL394A, VAL394B, VAL460A, VAL460B, VAL46A, VAL46B, VAL59A, VAL59B
• A-C: ALA425A, ALA425C, ALA438A, ALA58A, ALA58C, ALA65A, ALA65C, ARG12A, ARG12C, ARG14A, ARG14C, ARG21A, ARG21C, ARG392A, ARG392C, ARG424A, ARG424C, ASN327A, ASN327C, ASP324A, ASP324C, ASP329A, ASP329C, ASP433A, ASP433C, ASP49A, ASP49C, GLN337A, GLN337C, GLN429A, GLN429C, GLN61A, GLN61C, GLN64A, GLN64C, GLU17A, GLU17C, GLU437A, GLU44A, GLU44C, GLU9A, GLU9C, GLY55A, GLY55C, GLY57A, GLY57C, HIS431A, HIS431C, HIS6A, HIS6C, ILE13A, ILE13C, ILE16A, ILE16C, ILE435A, ILE435C, ILE436A, ILE48A, ILE48C, LEU50A, LEU50C, LEU51C, LEU7A, LEU7C, LYS20A, LYS20C, LYS440A, LYS5A, LYS5C, MET273A, MET273C, MET432A, MET432C, MET63A, MET63C, MET68A, MET68C, PHE11A, PHE11C, PHE434A, PHE434C, PHE47A, PHE47C, PHE4C, PRO10A, PRO10C, PRO18A, PRO18C, PRO275A, PRO275C, PRO423A, PRO423C, PRO8A, PRO8C, SER43A, SER43C, SER62A, SER62C, THR426A, THR426C, THR428A, THR428C, THR430A, THR430C, THR52C, THR56A, THR56C, THR60A, THR60C, TRP330A, TRP330C, TYR333A, TYR333C, TYR340A, TYR340C, TYR427A, TYR427C, VAL15A, VAL15C, VAL19A, VAL19C, VAL46A, VAL46C, VAL59A, VAL59C
• A-D: ALA65A, ALA65D, ALA66A, ALA66D, ALA73A, ALA73D, ARG12A, ARG12D, ARG14A, ARG14D, ARG69A, ARG69D, ARG78A, ARG78D, ASP71A, ASP71D, GLN61A, GLN61D, GLN64A, GLN64D, GLU316A, GLU316D, GLU72A, GLU72D, GLY312A, GLY312D, GLY313A, GLY313D, GLY70A, GLY70D, MET63A, MET63D, MET67A, MET67D, MET68A, MET68D, SER62A, SER62D, SER75A, SER75D, SER77A, SER77D, SER79A, SER79D, THR60A, THR60D, TYR74A, TYR74D, VAL15A, VAL15D, VAL320A, VAL320D, VAL59A, VAL59D
• B-C: ALA65B, ALA65C, ALA66B, ALA66C, ALA73B, ALA73C, ARG12B, ARG12C, ARG14B, ARG14C, ARG69B, ARG69C, ARG78B, ARG78C, ASP71B, ASP71C, GLN61B, GLN61C, GLN64B, GLN64C, GLU316B, GLU316C, GLU72B, GLU72C, GLY312B, GLY312C, GLY313B, GLY313C, GLY70B, GLY70C, MET63B, MET63C, MET67B, MET67C, MET68B, MET68C, SER62B, SER62C, SER75B, SER75C, SER77B, SER77C, SER79B, SER79C, THR60B, THR60C, TYR74B, TYR74C, VAL15B, VAL15C, VAL320B, VAL320C, VAL59B, VAL59C
• B-D: ALA425B, ALA425D, ALA58B, ALA58D, ALA65B, ALA65D, ARG12B, ARG12D, ARG14B, ARG14D, ARG21B, ARG21D, ARG392B, ARG392D, ARG424B, ARG424D, ASN327B, ASN327D, ASP324B, ASP324D, ASP329B, ASP329D, ASP433B, ASP433D, ASP49B, ASP49D, GLN337B, GLN337D, GLN429B, GLN429D, GLN61B, GLN61D, GLN64B, GLN64D, GLU17B, GLU17D, GLU44B, GLU44D, GLU9B, GLU9D, GLY325D, GLY55B, GLY55D, GLY57B, GLY57D, HIS431B, HIS431D, HIS6B, HIS6D, ILE13B, ILE13D, ILE16B, ILE16D, ILE435B, ILE435D, ILE48B, ILE48D, LEU50B, LEU50D, LEU51B, LEU7B, LEU7D, LYS20B, LYS20D, LYS5B, LYS5D, MET273B, MET273D, MET432B, MET432D, MET63B, MET63D, MET68B, MET68D, PHE11B, PHE11D, PHE434B, PHE434D, PHE47B, PHE47D, PRO10B, PRO10D, PRO18B, PRO18D, PRO275B, PRO275D, PRO423B, PRO423D, PRO8B, PRO8D, SER43B, SER43D, SER62B, SER62D, THR426B, THR426D, THR428B, THR428D, THR430B, THR430D, THR52B, THR56B, THR56D, THR60B, THR60D, TRP330B, TRP330D, TYR333B, TYR333D, TYR340B, TYR340D, TYR427B, TYR427D, VAL15B, VAL15D, VAL19B, VAL19D, VAL46B, VAL46D, VAL59B, VAL59D
• C-D: ALA314C, ALA314D, ALA466C, ALA466D, ALA58C, ALA58D, ALA65C, ALA65D, ALA73C, ALA73D, ARG103C, ARG103D, ARG295C, ARG295D, ARG317C, ARG317D, ARG392C, ARG392D, ARG462C, ARG462D, ARG69C, ARG69D, ARG78C, ARG78D, ASN146C, ASN146D, ASN37C, ASN37D, ASP137C, ASP137D, ASP42C, ASP42D, ASP45C, ASP45D, ASP49C, ASP49D, ASP53C, ASP53D, ASP71C, ASP71D, CYS298C, CYS298D, GLN101C, GLN101D, GLN107C, GLN107D, GLN301C, GLN301D, GLN64C, GLN64D, GLU106C, GLU106D, GLU17C, GLU17D, GLU293C, GLU293D, GLU302C, GLU302D, GLU311C, GLU311D, GLU44C, GLU44D, GLU457C, GLU457D, GLU72C, GLU72D, GLY104C, GLY104D, GLY141C, GLY141D, GLY277C, GLY277D, GLY303C, GLY303D, GLY308C, GLY308D, GLY309C, GLY309D, GLY312C, GLY312D, GLY313C, GLY313D, GLY55C, GLY55D, GLY57C, GLY57D, GLY70C, GLY70D, GLY76C, GLY76D, HIS100C, HIS100D, HIS142C, HIS142D, HIS463C, HIS463D, ILE108C, ILE108D, ILE145C, ILE145D, LEU297C, LEU297D, LEU310C, LEU310D, LEU40C, LEU40D, LEU41C, LEU41D, LEU461C, LEU461D, LEU51C, LEU51D, LYS20C, LYS20D, LYS269C, LYS269D, LYS270C, LYS270D, LYS459C, LYS459D, LYS467C, LYS467D, MET276C, MET276D, MET315C, MET315D, MET67C, MET67D, MET68C, MET68D, PHE288C, PHE288D, PHE304C, PHE304D, PHE39C, PHE39D, PHE464C, PHE464D, PRO18C, PRO18D, PRO275C, PRO275D, PRO305C, PRO305D, PRO38C, PRO38D, PRO423C, PRO423D, PRO458C, PRO458D, SER267C, SER43C, SER43D, SER54C, SER54D, SER75C, SER75D, SER77C, SER77D, SER79C, SER79D, THR138C, THR138D, THR292C, THR292D, THR296C, THR296D, THR306C, THR306D, THR426C, THR426D, THR465C, THR465D, THR52C, THR52D, THR56C, THR56D, THR99C, THR99D, TYR291C, TYR291D, TYR307C, TYR307D, TYR427C, TYR456C, TYR456D, TYR74C, TYR74D, TYR80C, TYR80D, TYR81C, TYR81D, VAL15C, VAL15D, VAL19C, VAL19D, VAL274C, VAL274D, VAL299C, VAL299D, VAL300C, VAL300D, VAL394C, VAL394D, VAL460C, VAL460D, VAL46C, VAL46D, VAL59C, VAL59D