1LFL

deoxy hemoglobin (90% relative humidity)

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 46
  • Norm. En. per Res.: -3.6434
• 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	-17.1418	9.0768	-233.928	-241.993	90	13	9	9503	0	18	19
A-C	-25.1694	-86.8901	-55.5348	-167.5943	46	4	0	2007	4	7	10
A-D	-12.999	2.9368	-170.213	-180.2752	62	8	0	6783	2	19	18
B-C	-15.3973	32.4486	-172.747	-155.6957	60	14	0	6772	4	20	19
B-D	0.0	0.0	-0.0062	-0.0062	4	0	0	7	0	3	12
C-D	-24.9926	9.8395	-215.709	-230.8621	90	17	9	9312	0	17	19
P-Q	-30.1958	10.1717	-232.933	-252.9571	91	26	8	9905	0	17	19
P-R	-29.1157	-86.19	-47.178	-162.4837	45	6	0	1879	4	8	11
P-S	-28.5581	36.535	-168.795	-160.8181	60	13	0	6605	2	19	19
Q-R	-23.2538	9.1374	-184.732	-198.8484	60	15	0	6965	2	19	18
Q-S	0.0	0.0	-0.0831	-0.0831	4	0	0	18	0	3	12
R-S	-11.228	11.481	-236.894	-236.641	91	10	8	9415	0	17	18

Interface residues

• A-B: ALA110A, ALA111A, ALA115A, ALA115B, ALA120A, ALA123A, ALA128B, ALA129B, ALA130A, ALA135B, ALA26A, ALA27B, ALA28A, ARG104B, ARG30B, ARG31A, ASN108B, ASN9A, ASP126A, ASP52B, CYS104A, CYS112B, GLN127B, GLN131B, GLU101B, GLU116A, GLU121B, GLU26B, GLU27A, GLU30A, GLU7B, GLY107B, GLY119B, GLY29B, HIS103A, HIS112A, HIS116B, HIS117B, HIS122A, HIS50A, LEU100A, LEU105A, LEU105B, LEU106A, LEU109A, LEU110B, LEU113A, LEU114B, LEU125A, LEU29A, LEU31B, LEU32B, LEU34A, LYS120B, LYS127A, LYS132B, LYS99A, MET32A, MET55B, PHE117A, PHE118B, PHE122B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO125B, PRO36B, PRO37A, PRO51B, SER124A, SER35A, THR108A, THR118A, THR123B, THR50B, TRP37B, TYR130B, TYR35B, VAL107A, VAL109B, VAL111B, VAL113B, VAL121A, VAL126B, VAL134B, VAL33B, VAL34B, VAL54B
• A-C: ALA123A, ALA123C, ALA130A, ALA130C, ARG141A, ARG141C, ASP126A, ASP126C, ASP6A, ASP6C, HIS122A, HIS122C, LEU106A, LEU106C, LEU125A, LEU125C, LEU129A, LEU129C, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PHE128C, SER124A, SER124C, SER131A, SER131C, SER138A, SER138C, SER3A, SER3C, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL1A, VAL1C, VAL96A, VAL96C
• A-D: ALA142D, ALA88A, ARG104D, ARG141A, ARG40D, ARG92A, ASN102D, ASN97A, ASP94A, ASP94D, ASP99D, CYS93D, GLN39D, GLU101D, GLU43D, HIS146D, HIS45A, HIS87A, HIS89A, HIS92D, HIS97D, LEU100A, LEU105D, LEU141D, LEU31D, LEU34A, LEU48A, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, PHE103D, PHE33A, PHE36A, PHE41D, PHE42D, PHE43A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER49D, THR137A, THR38A, THR38D, THR39A, THR41A, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, VAL33D, VAL34D, VAL93A, VAL96A, VAL98D
• B-C: ALA142B, ALA88C, ARG104B, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP94B, ASP94C, ASP99B, CYS93B, GLN39B, GLU101B, GLU43B, HIS146B, HIS45C, HIS87C, HIS89C, HIS92B, HIS97B, LEU100C, LEU105B, LEU32B, LEU34C, LEU48B, LEU48C, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE103B, PHE33C, PHE36C, PHE41B, PHE42B, PHE43C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, THR137C, THR38B, THR38C, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, VAL33B, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ARG104B, ARG104D, HIS143D, HIS2B
• C-D: ALA110C, ALA111C, ALA115C, ALA115D, ALA120C, ALA123C, ALA128D, ALA129D, ALA130C, ALA135D, ALA26C, ALA27D, ALA28C, ARG104D, ARG30D, ARG31C, ASN108D, ASN9C, ASP126C, ASP52D, CYS104C, CYS112D, GLN127D, GLN131D, GLU101D, GLU116C, GLU121D, GLU26D, GLU27C, GLU30C, GLY107D, GLY119D, GLY29D, HIS103C, HIS112C, HIS116D, HIS117D, HIS122C, HIS50C, LEU100C, LEU105C, LEU105D, LEU106C, LEU109C, LEU110D, LEU113C, LEU114D, LEU125C, LEU29C, LEU31D, LEU32D, LEU34C, LYS120D, LYS127C, LYS132D, LYS99C, MET32C, MET55D, PHE117C, PHE118D, PHE122D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO125D, PRO36D, PRO37C, PRO51D, SER102C, SER124C, SER35C, THR108C, THR118C, THR123D, THR50D, TRP37D, TYR130D, TYR35D, VAL107C, VAL109D, VAL111D, VAL113D, VAL121C, VAL126D, VAL134D, VAL33D, VAL34D, VAL54D
• P-Q: ALA110P, ALA111P, ALA115P, ALA115Q, ALA120P, ALA123P, ALA128Q, ALA129Q, ALA130P, ALA135Q, ALA26P, ALA27Q, ALA28P, ARG104Q, ARG30Q, ARG31P, ASN108Q, ASN9P, ASP126P, ASP52Q, CYS104P, CYS112Q, GLN127Q, GLN131Q, GLU101Q, GLU116P, GLU121Q, GLU26Q, GLU27P, GLU30P, GLU7Q, GLY107Q, GLY119Q, GLY29Q, HIS103P, HIS112P, HIS116Q, HIS117Q, HIS122P, HIS50P, LEU100P, LEU105P, LEU105Q, LEU106P, LEU109P, LEU110Q, LEU113P, LEU114Q, LEU125P, LEU29P, LEU31Q, LEU32Q, LEU34P, LYS120Q, LYS127P, LYS132Q, LYS99P, MET32P, MET55Q, PHE117P, PHE118Q, PHE122Q, PHE33P, PHE36P, PRO114P, PRO119P, PRO124Q, PRO125Q, PRO36Q, PRO37P, PRO51Q, SER102P, SER124P, SER35P, THR108P, THR118P, THR123Q, TRP37Q, TYR130Q, TYR35Q, VAL107P, VAL109Q, VAL111Q, VAL113Q, VAL121P, VAL126Q, VAL134Q, VAL33Q, VAL34Q, VAL54Q, VAL96P
• P-R: ALA123P, ALA123R, ALA130P, ALA130R, ARG141P, ARG141R, ASP126P, ASP126R, ASP6P, ASP6R, HIS122P, HIS122R, LEU106P, LEU106R, LEU125P, LEU125R, LEU129P, LEU129R, LEU2P, LEU2R, LYS127P, LYS127R, LYS139P, LYS139R, LYS99P, LYS99R, PHE128P, PHE128R, SER124P, SER124R, SER131P, SER131R, SER138P, SER138R, SER3P, SER3R, THR134P, THR134R, THR137P, TYR140P, TYR140R, VAL1P, VAL1R, VAL96P, VAL96R
• P-S: ALA142S, ALA88P, ARG104S, ARG141P, ARG40S, ARG92P, ASN102S, ASN97P, ASP94P, ASP94S, ASP99S, CYS93S, GLN39S, GLU101S, GLU43S, HIS146S, HIS45P, HIS87P, HIS89P, HIS92S, HIS97S, LEU100P, LEU105S, LEU31S, LEU34P, LEU48S, LEU91P, LEU96S, LYS139P, LYS144S, LYS40P, LYS90P, LYS95S, LYS99P, PHE103S, PHE33P, PHE41S, PHE42S, PHE43P, PRO100S, PRO36S, PRO37P, PRO44P, PRO95P, SER49S, THR137P, THR38P, THR38S, THR39P, THR41P, TRP37S, TYR140P, TYR145S, TYR35S, TYR42P, VAL33S, VAL34S, VAL93P, VAL96P, VAL98S
• Q-R: ALA142Q, ALA88R, ARG104Q, ARG141R, ARG30Q, ARG40Q, ARG92R, ASN102Q, ASN97R, ASP94Q, ASP94R, ASP99Q, CYS93Q, GLN39Q, GLU101Q, GLU43Q, HIS146Q, HIS45R, HIS87R, HIS89R, HIS92Q, HIS97Q, LEU100R, LEU105Q, LEU31Q, LEU34R, LEU48Q, LEU48R, LEU91R, LEU96Q, LYS139R, LYS40R, LYS90R, LYS95Q, LYS99R, PHE103Q, PHE33R, PHE41Q, PHE42Q, PHE43R, PRO100Q, PRO36Q, PRO37R, PRO44R, PRO95R, THR137R, THR38Q, THR38R, THR39R, THR41R, TRP37Q, TYR140R, TYR145Q, TYR35Q, TYR42R, VAL33Q, VAL34Q, VAL93R, VAL96R, VAL98Q
• Q-S: ARG104Q, ARG104S, HIS143S, HIS2Q
• R-S: ALA110R, ALA111R, ALA115R, ALA115S, ALA120R, ALA123R, ALA128S, ALA129S, ALA130R, ALA135S, ALA26R, ALA27S, ALA28R, ARG104S, ARG30S, ARG31R, ASN108S, ASN9R, ASP126R, ASP52S, CYS104R, CYS112S, GLN127S, GLN131S, GLU101S, GLU116R, GLU121S, GLU26S, GLU27R, GLU30R, GLU7S, GLY107S, GLY119S, GLY29S, GLY51R, HIS103R, HIS112R, HIS116S, HIS117S, HIS122R, HIS50R, LEU100R, LEU105R, LEU105S, LEU106R, LEU109R, LEU110S, LEU113R, LEU114S, LEU125R, LEU29R, LEU31S, LEU32S, LEU34R, LYS120S, LYS127R, LYS132S, LYS99R, MET32R, MET55S, PHE117R, PHE118S, PHE122S, PHE33R, PHE36R, PRO114R, PRO119R, PRO124S, PRO125S, PRO36S, PRO37R, PRO51S, SER102R, SER124R, SER35R, THR108R, THR118R, THR123S, TRP37S, TYR130S, TYR35S, VAL107R, VAL109S, VAL111S, VAL113S, VAL121R, VAL126S, VAL134S, VAL33S, VAL34S, VAL54S