3M1B

crystal structure of human fcrn with a dimeric peptide inhibitor

• Total interactions analyzed: 45
• Total true interactions: 16
• Strongest Interaction:
  • Chains: C-J
  • Int. Res.: 33
  • Norm. En. per Res.: -4.1649
• Hub Node: A(5)

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	-55.0655	-45.7572	-351.464	-452.2867	133	27	0	12458	3	30	26
A-C	0.0	0.0	-1.5692	-1.5692	17	0	0	199	0	3	1
A-F	0.0	-6.1553	-15.8484	-22.0037	21	0	0	739	1	17	14
A-I	0.0	-16.2857	-101.268	-117.5537	34	6	1	3235	1	4	1
A-J	0.0	0.0	-0.0763	-0.0763	3	0	0	25	0	0	0
B-E	0.0	0.0	-2.1535	-2.1535	14	0	0	335	0	2	2
B-F	0.0	11.8535	-2.2747	9.5788	13	0	0	228	0	6	9
B-I	0.0	0.0	-0.6589	-0.6589	4	0	0	95	0	0	0
C-D	-19.1678	-39.2474	-377.663	-436.0782	134	15	0	13228	1	28	24
C-I	0.0	0.0	-0.0018	-0.0018	2	0	0	5	0	0	0
C-J	-22.6174	-19.9867	-94.8382	-137.4423	33	3	1	3122	0	4	1
D-J	0.0	0.0	-1.4984	-1.4984	5	0	0	120	0	0	0
E-F	-49.6674	-37.9349	-326.136	-413.7384	134	12	0	11972	2	31	25
E-G	0.0	0.0	-0.5674	-0.5674	16	0	0	141	0	2	1
G-H	-32.6447	-37.6596	-367.222	-437.5263	132	9	0	12944	3	28	26
I-J	-2.6468	0.0	-13.6155	-16.2623	14	1	0	466	0	0	1

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, 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, TRP25A, TRP29A, TRP60B, TRP95B, TYR10B, TYR26B, TYR38A, TYR63B, TYR66B, TYR67B, TYR88A, TYR9A, VAL14A, VAL195A, VAL26A, VAL27B, VAL9B
• A-C: ASP246A, GLY192A, GLY192C, LYS243A, LYS243C, PHE193A, PHE193C, PRO191A, PRO191C, SER190C, SER244A, THR241A, THR241C, TYR250A, TYR250C, VAL242A, VAL242C
• A-F: ALA186A, ARG187A, ARG45F, ASP246A, GLU247A, GLU44F, GLU47F, GLY192A, GLY245A, GLY43F, HIS248A, HIS249A, ILE46F, LEU267A, LEU40F, PHE193A, PRO188A, PRO191A, SER189A, SER194A, SER244A
• A-I: ALA111A, ALA134A, ALA136A, ALA78A, ALA81A, ASN113A, CYS13I, GLN139A, GLU115A, GLU133A, GLY114A, GLY5I, GLY83A, GLY84A, GLY86A, GLY8I, HIS6I, ILE137A, LEU112A, LEU135A, LEU82A, LYS80A, LYS85A, PHE117A, PHE79A, PHE7I, PRO12I, PRO132A, PRO87A, THR4I, THR89A, TRP131A, TYR11I, TYR88A
• A-J: PRO132A, THR104J, TRP131A
• B-E: ALA18E, ASN42B, ASP76B, GLU74B, GLU77B, LYS41B, LYS75B, LYS94B, PRO17E, PRO19E, PRO87E, SER16E, THR73B, TYR78B
• B-F: ARG97B, ASN17B, ASN83F, ASP34F, ASP76B, GLU36F, GLU74B, ILE35F, LYS75B, PRO90F, SER88F, THR73B, VAL85F
• B-I: GLN2B, HIS6I, ILE1B, PHE7I
• 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, CYS48C, GLN223C, GLN2D, GLN34C, GLN8D, GLN91C, GLU115C, GLU116C, GLU16D, GLU178C, GLU50D, GLY114C, GLY224C, GLY227C, GLY232C, GLY28C, GLY92C, HIS10C, HIS13D, HIS235C, HIS31D, HIS51D, ILE1D, ILE35D, ILE7D, LEU112C, LEU11C, LEU184C, LEU23D, LEU36C, LEU54D, LEU64D, LEU65D, LEU8C, LEU90C, LEU93C, LEU94C, LYS109C, LYS185C, LYS58D, LYS6D, MET118C, MET182C, MET99D, PHE110C, PHE117C, PHE201C, PHE226C, PHE22D, PHE234C, PHE30D, PHE56D, PHE62D, PHE75C, PRO14D, PRO179C, 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, VAL9D
• C-I: PRO132C, THR4I
• C-J: ALA111C, ALA134C, ALA136C, ALA81C, ASN113C, ASP130C, CYS113J, GLN139C, GLU115C, GLU133C, GLY105J, GLY108J, GLY114C, GLY83C, GLY84C, GLY86C, HIS106J, ILE137C, LEU112C, LEU135C, LEU82C, LYS85C, PHE102J, PHE107J, PHE117C, PRO112J, PRO132C, PRO87C, THR104J, THR89C, TRP131C, TYR111J, TYR88C
• D-J: GLN2D, HIS106J, HIS31D, ILE1D, PHE107J
• 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, GLU46E, GLU50F, GLY114E, GLY224E, GLY227E, GLY232E, GLY28E, GLY92E, HIS10E, HIS13F, HIS235E, HIS31F, HIS51F, ILE1F, ILE35F, ILE7F, LEU112E, LEU11E, LEU184E, LEU196E, LEU23F, LEU36E, LEU54F, LEU64F, LEU65F, LEU8E, LEU90E, LEU93E, LEU94E, LYS109E, LYS185E, LYS58F, LYS6F, MET118E, MET182E, MET99F, PHE110E, PHE117E, PHE201E, PHE203E, PHE226E, PHE22F, PHE234E, PHE30F, PHE56F, PHE62F, PHE75E, PRO14F, PRO17E, 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, TRP25E, TRP29E, TRP60F, TRP95F, TYR10F, TYR26F, TYR38E, TYR63F, TYR66F, TYR67F, TYR88E, TYR9E, VAL14E, VAL195E, VAL26E, VAL27F, VAL9F
• E-G: GLY192E, GLY192G, LYS243E, LYS243G, PHE193E, PHE193G, PRO191E, PRO191G, SER190G, SER244E, THR241E, THR241G, TYR250E, TYR250G, VAL242E, VAL242G
• 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, CYS48G, GLN223G, GLN2H, GLN34G, GLN8H, GLN91G, GLU115G, GLU116G, GLU16H, GLU178G, GLU50H, GLY114G, GLY224G, GLY227G, GLY232G, GLY28G, GLY92G, HIS10G, HIS13H, HIS235G, HIS31H, HIS51H, ILE1H, ILE35H, LEU112G, LEU11G, LEU184G, LEU196G, LEU23H, LEU240G, LEU36G, LEU54H, LEU64H, LEU65H, LEU8G, LEU90G, LEU93G, LEU94G, LYS109G, LYS185G, LYS19H, LYS58H, LYS6H, MET118G, MET182G, MET99H, PHE110G, PHE117G, PHE201G, 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, TRP25G, TRP29G, TRP60H, TRP95H, TYR10H, TYR26H, TYR38G, TYR63H, TYR66H, TYR67H, TYR88G, TYR9G, VAL14G, VAL195G, VAL26G, VAL9H
• I-J: CYS113J, CYS13I, GLY105J, GLY108J, GLY5I, GLY8I, HIS106J, HIS6I, PHE102J, PHE7I, PRO112J, THR104J, THR4I, TYR111J