2RI4

crystal structure determination of goat methemoglobin at 2.7 angstrom

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 90
  • Norm. En. per Res.: -2.9666
• Hub Node: B(4)

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	-22.8284	14.2142	-215.447	-224.0612	87	25	11	10103	0	13	19
A-C	0.0	0.0377	-38.2461	-38.2084	43	7	1	2656	0	4	9
A-D	-6.146	11.6077	-103.992	-98.5303	54	6	0	4197	0	16	12
B-C	-9.8731	3.5684	-87.2568	-93.5615	53	16	0	4311	0	17	11
B-D	0.0	8.641	-1.0308	7.6102	21	0	0	218	0	4	7
B-I	-10.2681	-4.1499	-20.8111	-35.2291	25	18	0	1952	0	8	15
B-L	0.0	1.241	-2.162	-0.921	7	0	0	196	0	7	11
C-D	-17.0082	16.4686	-266.45	-266.9895	90	16	12	10477	0	15	18
C-L	-22.7109	1.0816	-8.1078	-29.737	27	6	0	1921	0	9	14
I-J	-12.6262	10.6581	-245.212	-247.1801	88	18	13	10085	1	15	19
I-K	0.0	0.0	-20.8942	-20.8942	32	0	1	1568	0	3	7
I-L	-25.1502	14.9009	-104.569	-114.8183	50	5	0	3991	0	13	11
J-K	-10.4513	2.8936	-102.195	-109.7527	53	5	0	4129	0	16	11
J-L	0.0	26.8417	-21.8814	4.9603	28	2	0	1058	0	8	20
K-L	-37.0413	8.6122	-244.756	-273.1851	93	16	12	10289	0	15	21

Interface residues

• A-B: ALA110A, ALA115B, ALA120A, ALA123A, ALA128B, ALA130A, ALA135B, ALA27B, ALA28A, ALA51B, ARG116B, ARG30B, ARG31A, ASN108B, ASN115A, ASP116A, ASP126A, ASP52B, CYS111A, GLN127B, GLN131B, GLU101B, GLU121B, GLU129B, GLU26B, GLU27A, GLU30A, GLY107B, GLY119B, GLY29B, HIS103A, HIS112A, HIS117B, HIS118B, HIS122A, HIS50A, LEU100A, LEU105A, LEU105B, LEU106A, LEU109A, LEU110B, LEU113A, LEU114B, LEU125A, LEU125B, LEU126B, LEU29A, LEU31B, LEU32B, LEU34A, LYS104B, LYS127A, LYS132B, LYS99A, MET32A, MET55B, PHE117A, PHE122B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, SER102A, SER104A, SER120B, SER124A, SER35A, THR108A, THR118A, THR123B, TRP37B, TYR35B, VAL107A, VAL109B, VAL111B, VAL112B, VAL113B, VAL121A, VAL134B, VAL33B, VAL34B, VAL54B, VAL96A
• A-C: ALA130A, ALA130C, ALA4A, ALA4C, ALA5A, ALA5C, ALA88A, ALA88C, ASN131A, ASN131C, ASP6A, ASP6C, LEU136A, LEU136C, LEU2A, LEU2C, LEU76C, LYS127A, LYS127C, LYS139A, LYS139C, LYS7A, LYS7C, LYS99A, LYS99C, PRO77A, PRO77C, PRO95A, SER133C, SER138A, SER138C, SER3A, SER3C, SER84A, SER84C, THR134A, THR134C, THR137A, THR137C, VAL135A, VAL135C, VAL1A, VAL96A
• A-D: ALA88A, ARG40D, ARG92A, ASN102D, ASN97A, ASP94A, ASP94D, ASP99D, CYS93D, GLN39D, GLU101D, GLU43D, HIS87A, HIS89A, HIS92D, HIS97D, LEU100A, LEU105D, LEU32D, LEU48D, LEU86A, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, PHE41D, PHE42D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER138A, SER49D, SER50D, THR137A, THR38A, THR38D, THR39A, THR41A, TRP37D, TYR145D, TYR35D, TYR42A, VAL33D, VAL54D, VAL93A, VAL96A, VAL98D
• B-C: ALA88C, ARG40B, ARG92C, ASN102B, ASN97C, ASP94B, ASP94C, ASP99B, CYS93B, GLN39B, GLU101B, GLU43B, GLY46B, HIS44B, HIS45C, HIS87C, HIS89C, HIS97B, LEU100C, LEU105B, LEU32B, LEU48B, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, SER138C, SER49B, SER50B, THR137C, THR38B, THR38C, THR39C, THR41C, TRP37B, TYR35B, TYR42C, VAL54B, VAL93C, VAL96C, VAL98B
• B-D: ALA135B, ALA142B, ALA142D, ARG144B, ASN139B, ASN139D, ASP99B, ASP99D, GLU101B, GLU101D, GLY136B, HIS143B, HIS143D, LYS104B, LYS104D, LYS82B, LYS82D, MET2D, PRO100B, PRO100D, TYR145D
• B-I: ALA53I, ALA58B, ALA62B, ASN57B, ASP47B, ASP47I, GLN54I, GLU43B, GLY46B, HIS44B, HIS45I, HIS63B, LEU48I, LYS59B, LYS61B, LYS66B, PHE42B, PHE43I, PHE45B, PHE46I, PRO44I, SER49I, SER52I, THR41I, VAL60B
• B-L: ARG40B, GLU43B, GLU90B, HIS44B, HIS44L, LYS95B, LYS95L
• C-D: ALA110C, ALA115D, ALA120C, ALA123C, ALA128D, ALA130C, ALA135D, ALA27D, ALA28C, ALA51D, ARG116D, ARG30D, ARG31C, ASN108D, ASN115C, ASN56D, ASN9C, ASP116C, ASP126C, ASP52D, CYS111C, GLN127D, GLN131D, GLU101D, GLU121D, GLU129D, GLU26D, GLU27C, GLU30C, GLY107D, GLY119D, GLY29D, HIS103C, HIS112C, HIS117D, HIS118D, HIS122C, HIS50C, LEU100C, LEU105C, LEU105D, LEU106C, LEU109C, LEU110D, LEU113C, LEU114D, LEU125C, LEU125D, LEU126D, LEU31D, LEU32D, LEU34C, LYS104D, LYS127C, LYS132D, LYS99C, MET32C, MET55D, PHE117C, PHE122D, PHE130D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, SER102C, SER104C, SER120D, SER124C, SER35C, SER50D, THR108C, THR118C, THR123D, TRP37D, TYR35D, VAL107C, VAL109D, VAL111D, VAL112D, VAL113D, VAL121C, VAL134D, VAL33D, VAL34D, VAL54D, VAL96C
• C-L: ALA53C, ALA58L, ALA62L, ASN56L, ASN57L, ASP47C, ASP47L, GLN54C, GLU43L, GLY46L, HIS44L, HIS45C, HIS63L, LEU48C, LEU48L, LYS59L, LYS61L, LYS65L, LYS66L, PHE43C, PHE45L, PHE46C, PRO44C, SER49C, SER52C, THR41C, VAL60L
• I-J: ALA110I, ALA115J, ALA120I, ALA123I, ALA128J, ALA130I, ALA135J, ALA27J, ALA28I, ALA51J, ARG116J, ARG30J, ARG31I, ASN108J, ASN115I, ASP116I, ASP126I, ASP52J, CYS111I, GLN127J, GLN131J, GLU101J, GLU121J, GLU129J, GLU26J, GLU27I, GLU30I, GLY107J, GLY119J, GLY29J, HIS103I, HIS112I, HIS117J, HIS118J, HIS122I, HIS50I, LEU100I, LEU105I, LEU105J, LEU106I, LEU109I, LEU110J, LEU113I, LEU114J, LEU125I, LEU125J, LEU126J, LEU29I, LEU31J, LEU34I, LYS104J, LYS127I, LYS132J, LYS99I, MET32I, MET55J, PHE117I, PHE122J, PHE130J, PHE33I, PHE36I, PRO114I, PRO119I, PRO124J, PRO36J, PRO37I, SER102I, SER104I, SER120J, SER124I, SER35I, SER50J, THR108I, THR118I, THR123J, TRP37J, TYR35J, VAL107I, VAL109J, VAL111J, VAL112J, VAL113J, VAL121I, VAL134J, VAL33J, VAL34J, VAL54J, VAL96I
• I-K: ALA130I, ALA130K, ASN131I, ASN131K, ASP6I, GLY78K, LEU136K, LEU2I, LEU2K, LEU76K, LYS127I, LYS127K, LYS139K, LYS99I, LYS99K, PRO77I, PRO77K, PRO95K, SER138I, SER138K, SER3I, SER3K, SER81K, SER84K, THR134I, THR134K, THR137I, THR137K, VAL135I, VAL135K, VAL1I, VAL96I
• I-L: ALA88I, ARG40L, ARG92I, ASN102L, ASN97I, ASP94I, ASP94L, ASP99L, CYS93L, GLN39L, GLU101L, GLU43L, HIS45I, HIS87I, HIS97L, LEU100I, LEU105L, LEU32L, LEU48L, LEU91I, LEU96L, LYS104L, LYS90I, LYS95L, LYS99I, PHE41L, PHE42L, PHE43I, PHE98I, PRO100L, PRO36L, PRO37I, PRO44I, PRO95I, SER138I, SER49L, SER50L, THR137I, THR38I, THR38L, THR39I, THR41I, TRP37L, TYR145L, TYR35L, TYR42I, VAL33L, VAL93I, VAL96I, VAL98L
• J-K: ALA88K, ARG40J, ARG92K, ASN102J, ASN97K, ASP47J, ASP94J, ASP94K, ASP99J, CYS93J, GLN39J, GLU101J, GLU43J, GLY46J, HIS44J, HIS87K, HIS89K, HIS97J, LEU100K, LEU105J, LEU32J, LEU48J, LEU91K, LEU96J, LYS139K, LYS40K, LYS90K, LYS99K, PHE41J, PHE42J, PHE43K, PHE45J, PHE98K, PRO100J, PRO36J, PRO37K, PRO44K, PRO95K, SER138K, SER49J, SER50J, THR137K, THR38J, THR38K, THR39K, THR41K, TRP37J, TYR145J, TYR35J, TYR42K, VAL93K, VAL96K, VAL98J
• J-L: ALA135J, ALA135L, ALA140J, ALA140L, ALA142J, ALA142L, ARG144J, ARG144L, ASN139J, ASN139L, ASP99L, GLU101J, GLU101L, GLY136J, GLY136L, HIS143J, HIS143L, HIS146J, HIS146L, LYS104J, LYS104L, LYS82J, LYS82L, MET2L, PRO100J, PRO100L, TYR145J, TYR145L
• K-L: ALA110K, ALA115L, ALA120K, ALA123K, ALA128L, ALA130K, ALA135L, ALA27L, ALA28K, ALA51L, ARG116L, ARG30L, ARG31K, ASN108L, ASN115K, ASP116K, ASP126K, ASP52L, CYS111K, GLN127L, GLN131L, GLU101L, GLU121L, GLU129L, GLU26L, GLU27K, GLU30K, GLY107L, GLY119L, GLY29L, GLY51K, HIS103K, HIS112K, HIS117L, HIS118L, HIS122K, HIS50K, LEU100K, LEU105K, LEU105L, LEU106K, LEU106L, LEU109K, LEU110L, LEU113K, LEU114L, LEU125K, LEU125L, LEU126L, LEU29K, LEU31L, LEU32L, LEU34K, LYS104L, LYS127K, LYS132L, LYS99K, MET32K, MET55L, PHE117K, PHE122L, PHE128K, PHE130L, PHE14L, PHE33K, PHE36K, PRO114K, PRO119K, PRO124L, PRO36L, PRO37K, SER102K, SER104K, SER120L, SER124K, SER35K, SER50L, THR108K, THR118K, THR123L, TRP37L, TYR35L, VAL107K, VAL109L, VAL111L, VAL112L, VAL113L, VAL121K, VAL134L, VAL33L, VAL34L, VAL54L, VAL96K