3M17

crystal structure of human fcrn with a monomeric peptide inhibitor

• Total interactions analyzed: 66
• Total true interactions: 24
• Strongest Interaction:
  • Chains: G-L
  • Int. Res.: 37
  • Norm. En. per Res.: -4.5342
• Hub Node: A(6)

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	-53.675	-34.5896	-391.57	-479.8346	135	10	0	13252	1	28	26
A-C	-80.6147	8.5681	-230.424	-302.4707	95	21	2	9714	0	34	25
A-D	0.0	0.0	-23.891	-23.891	12	0	0	740	0	2	2
A-E	0.0	0.0	-0.7843	-0.7843	6	0	0	171	0	0	0
A-F	-18.3321	9.9408	-123.83	-132.2213	58	5	1	5105	3	28	29
A-I	-21.7809	-26.1617	-118.636	-166.5785	37	4	1	3500	2	4	1
B-C	0.0	0.0	-24.9025	-24.9025	12	0	0	746	0	2	1
B-E	-2.7046	0.0	-15.313	-18.0176	12	0	0	499	0	7	7
B-I	0.0	0.0	-1.0856	-1.0856	4	0	0	103	0	0	0
B-K	0.0	0.0	-0.4808	-0.4808	8	0	0	41	0	2	0
C-D	-84.4921	-38.4521	-411.747	-534.6912	140	9	0	13788	4	30	26
C-J	-22.3271	-24.2799	-115.652	-162.259	36	4	2	3351	1	4	1
D-E	-17.1359	2.2857	-59.5463	-74.3964	35	2	0	2432	2	18	15
D-J	0.0	0.0	-1.1215	-1.1215	4	0	0	98	0	0	0
E-F	-71.8301	-61.079	-415.941	-548.8501	137	7	0	13699	4	31	26
E-G	-5.7322	6.567	-50.2979	-49.4631	79	2	0	2888	1	26	14
E-H	0.0	0.0	-14.2309	-14.2309	28	0	0	1073	0	8	8
E-K	-20.7913	-23.775	-115.483	-160.0493	37	3	1	3379	2	4	1
E-L	0.0	0.0	-0.4397	-0.4397	5	0	0	71	0	3	2
F-K	0.0	0.0	-1.2811	-1.2811	4	0	0	117	0	0	0
G-H	-63.6054	-38.4432	-386.978	-489.0267	134	13	0	13185	3	28	26
G-K	0.0	0.0	-7.8761	-7.8761	12	1	0	294	0	0	2
G-L	-30.5807	-23.2287	-113.956	-167.7654	37	7	2	3523	1	4	1
H-L	0.0	0.0	-1.3304	-1.3304	4	0	0	121	0	0	0

Interface residues

• A-B: ALA108A, ALA111A, ALA13A, ALA15B, ALA186A, ALA18A, ALA200A, ALA236A, ARG12B, ARG183A, ARG187A, ARG3B, ARG97B, ASN113A, ASN119A, ASN21B, ASN229A, ASN24B, ASN39A, ASP225A, ASP231A, ASP34B, ASP53B, ASP59B, ASP96B, ASP98B, CYS198A, CYS25B, CYS48A, GLN223A, GLN2B, GLN34A, GLN8B, GLN91A, GLU115A, GLU116A, GLU16B, GLU178A, GLU50B, GLY114A, GLY224A, GLY227A, GLY232A, GLY28A, GLY92A, HIS10A, HIS13B, HIS235A, HIS31B, HIS51B, ILE1B, ILE35B, ILE7B, LEU112A, LEU11A, LEU184A, LEU23B, LEU36A, LEU54B, LEU64B, LEU65B, LEU8A, LEU90A, LEU93A, LEU94A, LYS109A, LYS185A, LYS58B, LYS6B, MET118A, MET182A, MET99B, PHE110A, PHE117A, PHE201A, PHE203A, PHE226A, PHE22B, PHE234A, PHE30B, PHE56B, PHE62B, PHE75A, PRO14B, PRO17A, PRO180A, PRO19A, PRO228A, PRO22A, PRO32A, PRO32B, PRO87A, SER11B, SER16A, SER181A, SER199A, SER202A, SER230A, SER233A, SER237A, SER238A, SER239A, SER27A, SER28B, SER33B, SER37A, SER52B, SER55B, SER57B, SER61B, THR107A, THR12A, THR197A, THR21A, THR68B, THR89A, TRP131A, TRP176A, TRP25A, TRP29A, TRP60B, TRP95B, TYR10B, TYR26B, TYR38A, TYR63B, TYR66B, TYR67B, TYR88A, TYR9A, VAL14A, VAL195A, VAL26A, VAL27B, VAL9B
• A-C: ALA200A, ALA200C, ALA257A, ALA257C, ALA260A, ALA260C, ALA50A, ALA50C, ARG164A, ARG164C, ARG169A, ARG169C, ARG171A, ARG171C, ARG183A, ARG183C, ARG264A, ARG264C, ASN173A, ASN173C, ASN55A, ASN55C, GLN261A, GLN261C, GLN56A, GLN56C, GLU165A, GLU165C, GLU168A, GLU168C, GLU175A, GLU175C, GLU178A, GLU178C, GLU266A, GLU266C, GLU54A, GLU54C, GLY170A, GLY170C, GLY172A, GLY172C, GLY258A, GLY258C, HIS166A, HIS166C, HIS256A, HIS256C, LEU167A, LEU167C, LEU174A, LEU174C, LEU208C, LEU259A, LEU259C, LEU263A, LEU263C, LEU267A, LYS177A, LYS177C, MET182A, MET182C, PHE201A, PHE201C, PHE203A, PRO179A, PRO179C, PRO180A, PRO180C, PRO262A, PRO262C, SER181A, SER181C, SER199A, SER199C, SER202A, SER202C, SER58A, SER58C, TRP176A, TRP176C, TRP51A, TRP51C, TRP53A, TRP53C, TYR204A, TYR204C, VAL254A, VAL254C, VAL265A, VAL265C, VAL52A, VAL52C, VAL57A, VAL57C
• A-D: ALA15D, ALA50A, ARG12D, ASN21D, ASN55A, GLU16D, HIS13D, LYS19D, PRO14D, SER20D, TRP53A, VAL52A
• A-E: ALA18E, ARG42A, GLU46A, PRO19E, PRO47A, VAL52A
• A-F: ALA13A, ALA18A, ALA23A, ARG42A, ARG45F, ARG69A, ARG81F, ASN39A, ASN83F, ASP34F, ASP38F, GLN2F, GLN89F, GLU36F, GLU44A, GLU44F, GLU47F, GLU62A, GLU72A, GLU77A, GLY20A, GLY43A, GLY43F, HIS84F, ILE35F, ILE46F, ILE70A, ILE92F, LEU39F, LEU40F, LEU41A, LEU76A, LEU87F, LYS150A, LYS63A, LYS73A, LYS80A, LYS91F, PHE24A, PHE79A, PRO17A, PRO19A, PRO22A, PRO90F, SER15A, SER16A, SER40A, SER88F, THR21A, THR65A, THR66A, THR86F, TRP25A, TYR38A, VAL14A, VAL37F, VAL82F, VAL85F
• A-I: ALA111A, ALA134A, ALA136A, ALA78A, ALA81A, ASN113A, ASP130A, CYS13I, GLN139A, GLU115A, GLU116A, GLU133A, GLY114A, GLY5I, GLY83A, GLY84A, GLY86A, GLY8I, HIS6I, ILE137A, LEU112A, LEU135A, LEU82A, LYS80A, LYS85A, PHE117A, PHE2I, PHE79A, PHE7I, PRO12I, PRO132A, PRO87A, THR4I, THR89A, TRP131A, TYR11I, TYR88A
• B-C: ALA15B, ALA50C, ARG12B, ASN21B, ASN55C, GLU16B, HIS13B, LYS19B, PRO14B, SER20B, TRP53C, VAL52C
• B-E: ARG45B, GLU47B, GLU50B, GLY83E, GLY84E, GLY86E, ILE46B, LEU82E, LYS48B, LYS85E, TYR88E, VAL49B
• B-I: GLN2B, HIS6I, ILE1B, PHE7I
• B-K: ARG45B, GLU44B, GLU47B, GLY8K, PHE2K, PHE7K, THR4K, TYR11K
• C-D: ALA108C, ALA111C, ALA13C, ALA15D, ALA186C, ALA18C, ALA200C, ALA236C, ARG12D, ARG183C, ARG187C, ARG3D, ARG97D, ASN113C, ASN119C, ASN21D, ASN229C, ASN24D, ASN39C, ASP225C, ASP231C, ASP34D, ASP53D, ASP59D, ASP96D, ASP98D, CYS198C, CYS25D, CYS48C, GLN223C, GLN2D, GLN34C, GLN8D, GLN91C, GLU115C, GLU116C, GLU16D, GLU178C, GLU36D, GLU50D, GLY114C, GLY20C, GLY224C, GLY227C, GLY232C, GLY28C, GLY92C, HIS10C, HIS13D, HIS235C, HIS31D, HIS51D, ILE1D, ILE35D, ILE7D, LEU112C, LEU11C, LEU184C, LEU196C, LEU23D, LEU36C, LEU54D, LEU64D, LEU65D, LEU8C, LEU90C, LEU93C, LEU94C, LYS109C, LYS185C, LYS19D, LYS58D, LYS6D, MET118C, MET182C, MET99D, PHE110C, PHE117C, PHE201C, PHE203C, PHE226C, PHE22D, PHE234C, PHE30D, PHE56D, PHE62D, PHE75C, PRO14D, PRO17C, PRO180C, PRO19C, PRO228C, PRO22C, PRO32C, PRO32D, PRO87C, SER11D, SER16C, SER181C, SER199C, SER202C, SER230C, SER233C, SER237C, SER238C, SER239C, SER27C, SER28D, SER33D, SER37C, SER52D, SER55D, SER57D, SER61D, THR107C, THR12C, THR197C, THR21C, THR68D, THR89C, TRP131C, TRP176C, TRP25C, TRP29C, TRP60D, TRP95D, TYR10D, TYR26D, TYR38C, TYR63D, TYR66D, TYR67D, TYR88C, TYR9C, VAL14C, VAL195C, VAL26C, VAL27D, VAL85D, VAL9D
• C-J: ALA111C, ALA134C, ALA136C, ALA78C, ALA81C, ASN113C, ASP130C, CYS13J, GLU115C, GLU116C, GLU133C, GLY114C, GLY5J, GLY83C, GLY84C, GLY86C, GLY8J, HIS6J, ILE137C, LEU112C, LEU135C, LEU82C, LYS80C, LYS85C, PHE117C, PHE2J, PHE79C, PHE7J, PRO12J, PRO132C, PRO87C, THR4J, THR89C, TRP131C, TYR11J, TYR88C
• D-E: ALA18E, ALA23E, ALA45E, ARG42E, ARG69E, ARG97D, ASN17D, ASN39E, ASN42D, ASP76D, GLU16D, GLU44E, GLU46E, GLU72E, GLU74D, GLU77D, GLY18D, GLY20E, GLY43E, LEU41E, LEU76E, LYS19D, LYS41D, LYS75D, PHE24E, PRO17E, PRO19E, PRO22E, PRO72D, SER40E, THR21E, THR65E, THR71D, THR73D, TYR38E
• D-J: GLN2D, HIS6J, ILE1D, PHE7J
• E-F: ALA108E, ALA111E, ALA13E, ALA15F, ALA186E, ALA18E, ALA200E, ALA236E, ARG12F, ARG183E, ARG187E, ARG3F, ARG97F, ASN113E, ASN119E, ASN21F, ASN229E, ASN24F, ASN39E, ASP225E, ASP231E, ASP34F, ASP53F, ASP59F, ASP96F, ASP98F, CYS198E, CYS25F, CYS48E, GLN223E, GLN2F, GLN34E, GLN8F, GLN91E, GLU115E, GLU116E, GLU16F, GLU178E, GLU50F, GLY114E, GLY224E, GLY227E, GLY232E, GLY28E, GLY92E, HIS10E, HIS13F, HIS235E, HIS31F, HIS51F, ILE1F, ILE35F, LEU112E, LEU11E, LEU184E, LEU196E, LEU23F, LEU36E, LEU54F, LEU64F, LEU65F, LEU8E, LEU90E, LEU93E, LEU94E, LYS109E, LYS185E, LYS19F, LYS58F, LYS6F, MET118E, MET182E, MET99F, PHE110E, PHE117E, PHE201E, PHE203E, PHE226E, PHE22F, PHE234E, PHE30F, PHE56F, PHE62F, PHE75E, PRO14F, PRO17E, PRO180E, PRO19E, PRO228E, PRO22E, PRO32E, PRO32F, PRO87E, SER11F, SER16E, SER181E, SER199E, SER202E, SER230E, SER233E, SER237E, SER238E, SER239E, SER27E, SER28F, SER33F, SER37E, SER52F, SER55F, SER57F, SER61F, THR107E, THR12E, THR197E, THR21E, THR68F, THR89E, TRP131E, TRP176E, TRP25E, TRP29E, TRP60F, TRP95F, TYR10F, TYR26F, TYR38E, TYR63F, TYR66F, TYR67F, TYR88E, TYR9E, VAL14E, VAL195E, VAL26E, VAL27F, VAL85F, VAL9F
• E-G: ALA134E, ALA147E, ALA218G, ALA219G, ALA236G, ARG164E, ARG211G, ASN102E, ASN119E, ASN149E, ASP101E, ASP121E, ASP130E, ASP130G, ASP145E, ASP225G, CYS96G, GLN124E, GLN142E, GLN144E, GLN209G, GLN255G, GLU115G, GLU116G, GLU165E, GLU207G, GLU97G, GLY125E, GLY128E, GLY129E, GLY129G, GLY220G, GLY222G, GLY224G, GLY227G, GLY99G, HIS161E, HIS235G, ILE253G, LEU135E, LEU152E, LEU156E, LEU208G, LEU210G, LEU213G, LEU5G, LEU8G, LEU93G, LEU98G, LYS109G, LYS123E, LYS146E, LYS150E, PHE117G, PHE157E, PHE203G, PHE212G, PHE226G, PHE234G, PRO100G, PRO132E, PRO160E, PRO206G, PRO262G, SER104E, SER138E, SER158E, SER6G, THR103E, THR103G, THR107G, THR126E, THR153E, THR221G, TRP127E, TRP131E, TRP131G, VAL105G, VAL57E
• E-H: ARG164E, ARG3H, ASN102E, ASN149E, ASP101E, ASP59H, GLN124E, GLN2H, GLN8H, GLY125E, ILE1H, LEU122E, LEU152E, LEU156E, LYS123E, LYS58H, LYS6H, PHE157E, PRO100E, PRO106E, SER104E, SER28H, SER57H, SER61H, THR103E, THR153E, TRP60H, TYR26H
• E-K: ALA111E, ALA134E, ALA136E, ALA78E, ALA81E, ASN113E, ASP130E, CYS13K, GLN139E, GLU115E, GLU116E, GLU133E, GLY114E, GLY5K, GLY83E, GLY84E, GLY86E, GLY8K, HIS6K, ILE137E, LEU112E, LEU135E, LEU82E, LYS80E, LYS85E, PHE117E, PHE2K, PHE79E, PHE7K, PRO12K, PRO132E, PRO87E, THR4K, THR89E, TRP131E, TYR11K, TYR88E
• E-L: ARG164E, ASN102E, ASP101E, HIS6L, PHE7L
• F-K: GLN2F, HIS6K, ILE1F, PHE7K
• G-H: ALA108G, ALA111G, ALA13G, ALA15H, ALA186G, ALA18G, ALA200G, ALA236G, ARG12H, ARG183G, ARG187G, ARG3H, ARG97H, ASN113G, ASN119G, ASN21H, ASN229G, ASN24H, ASN39G, ASP225G, ASP231G, ASP34H, ASP53H, ASP59H, ASP96H, ASP98H, CYS198G, CYS25H, CYS48G, GLN223G, GLN2H, GLN34G, GLN8H, GLN91G, GLU115G, GLU116G, GLU16H, GLU178G, GLU50H, GLY114G, GLY224G, GLY227G, GLY232G, GLY28G, GLY92G, HIS10G, HIS13H, HIS235G, HIS31H, HIS51H, ILE1H, ILE35H, ILE7H, LEU112G, LEU11G, LEU184G, LEU23H, LEU36G, LEU54H, LEU64H, LEU65H, LEU8G, LEU90G, LEU93G, LEU94G, LYS109G, LYS185G, LYS19H, LYS58H, LYS6H, MET118G, MET182G, MET99H, PHE110G, PHE117G, PHE201G, PHE203G, PHE226G, PHE22H, PHE234G, PHE30H, PHE56H, PHE62H, PHE75G, PRO14H, PRO17G, PRO180G, PRO228G, PRO22G, PRO32G, PRO32H, PRO87G, SER11H, SER16G, SER181G, SER199G, SER202G, SER230G, SER233G, SER237G, SER238G, SER239G, SER27G, SER28H, SER33H, SER37G, SER52H, SER55H, SER57H, SER61H, THR107G, THR12G, THR197G, THR21G, THR68H, THR89G, TRP131G, TRP176G, TRP25G, TRP29G, TRP60H, TRP95H, TYR10H, TYR26H, TYR38G, TYR63H, TYR66H, TYR67H, TYR88G, TYR9G, VAL14G, VAL26G, VAL27H, VAL9H
• G-K: ALA218G, ALA260G, ARG1K, ARG211G, CYS13K, GLN255G, GLN261G, HIS6K, ILE253G, LEU263G, PRO12K, PRO262G
• G-L: ALA111G, ALA134G, ALA136G, ALA78G, ALA81G, ASN113G, ASP130G, CYS13L, GLN139G, GLU115G, GLU116G, GLU133G, GLY114G, GLY5L, GLY83G, GLY84G, GLY86G, GLY8L, HIS6L, ILE137G, LEU112G, LEU135G, LEU82G, LYS80G, LYS85G, PHE117G, PHE2L, PHE79G, PHE7L, PRO12L, PRO132G, PRO87G, THR4L, THR89G, TRP131G, TYR11L, TYR88G
• H-L: GLN2H, HIS6L, ILE1H, PHE7L