3MVK

the crystal structure of fucu from bifidobacterium longum to 1.65a

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: C-J
  • Int. Res.: 27
  • Norm. En. per Res.: -3.0211
• Hub Node: A(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	0.0	7.8902	-90.3639	-82.4737	42	0	0	3086	0	21	19
A-E	0.0	-1.7031	-77.484	-79.1871	27	5	1	3218	0	6	4
A-G	-42.8147	21.4224	-113.8	-135.1923	56	7	1	4009	0	16	13
A-I	-14.3508	20.3743	-87.0733	-81.0498	49	7	0	3125	0	16	12
B-C	-14.5426	19.478	-87.1378	-82.2025	50	14	0	3301	0	16	13
B-E	-20.2141	22.5543	-110.074	-107.7337	57	13	1	4117	0	16	14
B-G	0.0	-0.6738	-78.1603	-78.8341	31	4	1	3351	0	6	6
C-F	-17.1013	20.3995	-108.593	-105.2948	57	11	1	4065	0	17	14
C-G	0.0	5.5665	-88.3138	-82.7473	43	0	0	3055	0	21	19
C-J	0.0	-2.8927	-78.6776	-81.5703	27	2	1	3254	0	6	4
D-E	-30.7903	20.7398	-115.894	-125.9445	56	4	1	3992	0	16	14
D-F	-14.8176	20.0605	-93.0555	-87.8126	53	5	1	3509	0	16	15
D-H	-2.8708	5.3021	-96.1215	-93.6902	47	0	0	3493	0	20	19
D-I	0.0	-3.3293	-76.0121	-79.3414	29	1	1	3032	0	6	4
E-I	0.0	9.5785	-87.8416	-78.2631	44	0	0	3050	0	20	19
F-H	0.0	-1.5465	-74.9615	-76.508	27	3	1	3140	0	6	4
F-J	0.0	9.4678	-88.2096	-78.7418	42	0	0	3034	0	20	19
G-J	-27.2191	20.679	-106.499	-113.0391	56	11	1	4020	0	15	13
H-I	-18.7759	21.5454	-107.72	-104.9505	56	12	1	4086	0	17	14
H-J	-33.0988	20.2615	-105.967	-118.8043	56	4	1	3891	0	16	15

Interface residues

• A-B: ALA127A, ALA127B, ALA35A, ALA35B, ARG46A, ARG46B, ASP48A, ASP48B, GLU12A, GLU12B, GLU36A, GLU36B, GLU54A, GLU54B, GLY129A, GLY129B, GLY49A, GLY49B, GLY51A, GLY51B, HIS50A, HIS50B, ILE8A, ILE8B, ILE9A, ILE9B, LEU13A, LEU13B, LYS7A, LYS7B, PRO10A, PRO10B, PRO11A, PRO11B, PRO6A, PRO6B, SER131A, SER131B, VAL44A, VAL44B, VAL45A, VAL45B
• A-E: CYS18A, CYS18E, GLU12A, GLU12E, GLU19A, GLU19E, ILE5A, ILE5E, ILE9A, ILE9E, LEU13A, LEU13E, LEU14A, LEU14E, LEU17A, LEU17E, LYS15A, LYS15E, PRO10A, PRO10E, PRO11A, PRO11E, TYR123A, VAL16A, VAL16E, VAL62A, VAL62E
• A-G: ALA122G, ALA127A, ALA132A, ALA35A, ARG112A, ARG46A, ASN121G, ASN32A, ASN41G, ASP24G, ASP30A, ASP48A, ASP66G, ASP82A, CYS18G, GLN133A, GLN140G, GLN25G, GLU130A, GLU19G, GLU36A, GLY142G, GLY21G, GLY23G, GLY31A, GLY39A, GLY81A, HIS22G, ILE38A, ILE43G, LYS120A, LYS141G, LYS15G, LYS40A, LYS78A, PHE113A, PHE145G, PHE33A, PRO34A, PRO64G, PRO80A, SER131A, SER37A, THR67G, THR83A, TYR116A, TYR123G, TYR134A, TYR68G, VAL143G, VAL144G, VAL16G, VAL44A, VAL69G, VAL79A, VAL84A
• A-I: ALA122A, ALA127I, ALA35I, ARG112I, ARG46I, ASN121A, ASN32I, ASN41A, ASP24A, ASP30I, ASP48I, ASP66A, ASP82I, CYS18A, GLN133I, GLN140A, GLN25A, GLU19A, GLU36I, GLY142A, GLY21A, GLY23A, GLY31I, GLY39I, HIS22A, ILE38I, ILE43A, LYS141A, LYS15A, LYS40I, LYS78I, PHE113I, PHE33I, PRO34I, PRO64A, PRO80I, SER131I, SER37I, THR67A, TYR116I, TYR123A, TYR134I, TYR68A, VAL143A, VAL144A, VAL16A, VAL44I, VAL69A, VAL79I
• B-C: ALA122B, ALA127C, ALA35C, ARG112C, ARG46C, ASN121B, ASN136C, ASN32C, ASN41B, ASP24B, ASP30C, ASP48C, ASP66B, ASP82C, CYS18B, GLN133C, GLN140B, GLN25B, GLU19B, GLU36C, GLY142B, GLY21B, GLY23B, GLY31C, GLY39C, HIS22B, ILE38C, ILE43B, LYS141B, LYS15B, LYS40C, LYS78C, PHE113C, PHE33C, PRO34C, PRO64B, PRO80C, SER131C, SER37C, THR67B, TYR116C, TYR123B, TYR134C, TYR68B, VAL143B, VAL144B, VAL16B, VAL44C, VAL69B, VAL79C
• B-E: ALA122E, ALA127B, ALA132B, ALA35B, ARG112B, ARG46B, ASN121E, ASN136B, ASN32B, ASN41E, ASP24E, ASP30B, ASP48B, ASP66E, ASP82B, CYS18E, GLN133B, GLN140E, GLN25E, GLU130B, GLU19E, GLU36B, GLY142E, GLY21E, GLY23E, GLY31B, GLY39B, GLY81B, HIS22E, ILE38B, ILE43E, LYS120B, LYS141E, LYS15E, LYS40B, LYS78B, PHE113B, PHE145E, PHE33B, PRO34B, PRO64E, PRO80B, SER131B, SER37B, THR67E, THR83B, TYR116B, TYR123E, TYR134B, TYR68E, VAL143E, VAL144E, VAL16E, VAL44B, VAL69E, VAL79B, VAL84B
• B-G: CYS18B, CYS18G, GLU12B, GLU12G, GLU19B, GLU19G, GLY4G, ILE5B, ILE5G, ILE9B, ILE9G, LEU13B, LEU13G, LEU14B, LEU14G, LEU17B, LEU17G, LYS15B, LYS15G, LYS3G, PRO10B, PRO10G, PRO11B, PRO11G, THR61B, TYR123G, VAL144B, VAL16B, VAL16G, VAL62B, VAL62G
• C-F: ALA122C, ALA127F, ALA132F, ALA35F, ARG112F, ARG46F, ASN121C, ASN136F, ASN32F, ASN41C, ASP24C, ASP30F, ASP48F, ASP66C, ASP82F, CYS18C, GLN133F, GLN140C, GLN25C, GLU130F, GLU19C, GLU36F, GLY142C, GLY21C, GLY23C, GLY31F, GLY39F, GLY81F, HIS22C, ILE38F, ILE43C, LYS120F, LYS141C, LYS15C, LYS40F, LYS78F, PHE113F, PHE145C, PHE33F, PRO34F, PRO64C, PRO80F, SER131F, SER37F, THR67C, THR83F, TYR116F, TYR123C, TYR134F, TYR68C, VAL143C, VAL144C, VAL16C, VAL44F, VAL69C, VAL79F, VAL84F
• C-G: ALA127C, ALA127G, ALA35C, ALA35G, ARG46C, ARG46G, ASP48C, ASP48G, GLU12C, GLU12G, GLU130G, GLU36C, GLU36G, GLU54C, GLU54G, GLY129C, GLY129G, GLY31G, GLY49C, GLY49G, GLY51C, GLY51G, HIS50C, HIS50G, ILE8C, ILE8G, ILE9C, ILE9G, LEU13C, LEU13G, LYS7C, LYS7G, PRO10C, PRO10G, PRO11C, PRO11G, PRO6C, PRO6G, SER131C, SER131G, VAL44C, VAL45C, VAL45G
• C-J: CYS18C, CYS18J, GLU12C, GLU12J, GLU19C, GLU19J, ILE5C, ILE5J, ILE9C, ILE9J, LEU13C, LEU13J, LEU14C, LEU14J, LEU17C, LEU17J, LYS15C, LYS15J, PRO10C, PRO10J, PRO11C, PRO11J, TYR123C, VAL16C, VAL16J, VAL62C, VAL62J
• D-E: ALA122D, ALA127E, ALA132E, ALA35E, ARG112E, ARG46E, ASN121D, ASN136E, ASN32E, ASN41D, ASP24D, ASP30E, ASP48E, ASP66D, ASP82E, CYS18D, GLN133E, GLN140D, GLN25D, GLU130E, GLU19D, GLU36E, GLY142D, GLY21D, GLY23D, GLY31E, GLY39E, GLY81E, HIS22D, ILE38E, ILE43D, LYS141D, LYS15D, LYS40E, LYS78E, PHE113E, PHE145D, PHE33E, PRO34E, PRO64D, PRO80E, SER131E, SER37E, THR67D, THR83E, TYR116E, TYR123D, TYR134E, TYR68D, VAL143D, VAL144D, VAL16D, VAL44E, VAL69D, VAL79E, VAL84E
• D-F: ALA122F, ALA127D, ALA35D, ALA42F, ARG112D, ARG46D, ASN121F, ASN32D, ASN41F, ASP24F, ASP30D, ASP48D, ASP66F, ASP82D, CYS18F, GLN133D, GLN140F, GLN25F, GLU130D, GLU19F, GLU36D, GLY142F, GLY21F, GLY23F, GLY31D, GLY39D, GLY81D, HIS22F, ILE38D, ILE43F, LYS120F, LYS141F, LYS15F, LYS40D, LYS78D, PHE113D, PHE33D, PRO34D, PRO64F, PRO80D, SER131D, SER37D, TYR116D, TYR123F, TYR134D, TYR68F, VAL143F, VAL144F, VAL16F, VAL44D, VAL69F, VAL79D, VAL84D
• D-H: ALA127D, ALA127H, ALA132H, ALA35D, ALA35H, ARG46D, ARG46H, ASP48D, ASP48H, GLU12D, GLU12H, GLU130H, GLU36D, GLU36H, GLU54D, GLU54H, GLY129D, GLY129H, GLY31H, GLY49D, GLY49H, GLY51D, GLY51H, GLY52H, HIS50D, HIS50H, ILE8D, ILE8H, ILE9D, ILE9H, LEU13D, LEU13H, LYS7D, LYS7H, PRO10D, PRO10H, PRO11D, PRO11H, PRO6D, PRO6H, SER128H, SER131D, SER131H, VAL44D, VAL44H, VAL45D, VAL45H
• D-I: CYS18D, CYS18I, GLU12D, GLU12I, GLU19D, GLU19I, ILE5D, ILE5I, ILE9D, ILE9I, LEU13D, LEU13I, LEU14D, LEU14I, LEU17D, LEU17I, LYS15D, LYS15I, LYS7D, PRO10D, PRO10I, PRO11D, PRO11I, PRO6D, VAL144I, VAL16D, VAL16I, VAL62D, VAL62I
• E-I: ALA127E, ALA127I, ALA35E, ALA35I, ARG46E, ARG46I, ASP48E, ASP48I, GLU12E, GLU12I, GLU130E, GLU36E, GLU36I, GLU54E, GLU54I, GLY129E, GLY129I, GLY31E, GLY49E, GLY49I, GLY51E, GLY51I, HIS50E, HIS50I, ILE8E, ILE8I, ILE9E, ILE9I, LEU13E, LEU13I, LYS7E, LYS7I, PRO10E, PRO10I, PRO11E, PRO11I, PRO6E, PRO6I, SER131E, SER131I, VAL44E, VAL44I, VAL45E, VAL45I
• F-H: CYS18F, CYS18H, GLU12F, GLU12H, GLU19F, GLU19H, ILE5F, ILE5H, ILE9F, ILE9H, LEU13F, LEU13H, LEU14F, LEU14H, LEU17F, LEU17H, LYS15F, LYS15H, PRO10F, PRO10H, PRO11F, PRO11H, TYR123F, VAL16F, VAL16H, VAL62F, VAL62H
• F-J: ALA127F, ALA127J, ALA35F, ALA35J, ARG46F, ARG46J, ASP48F, ASP48J, GLU12F, GLU12J, GLU130F, GLU36F, GLU36J, GLU54F, GLU54J, GLY129F, GLY129J, GLY49F, GLY49J, GLY51F, GLY51J, HIS50F, HIS50J, ILE8F, ILE8J, ILE9F, ILE9J, LEU13F, LEU13J, LYS7F, LYS7J, PRO10F, PRO10J, PRO11F, PRO11J, PRO6F, PRO6J, SER131F, SER131J, VAL44F, VAL45F, VAL45J
• G-J: ALA122J, ALA127G, ALA132G, ALA35G, ARG112G, ARG46G, ASN121J, ASN32G, ASN41J, ASP24J, ASP30G, ASP48G, ASP66J, ASP82G, CYS18J, GLN133G, GLN140J, GLN25J, GLU130G, GLU19J, GLU36G, GLY142J, GLY21J, GLY23J, GLY31G, GLY39G, GLY81G, HIS22J, ILE38G, ILE43J, LYS120G, LYS141J, LYS15J, LYS40G, LYS78G, PHE113G, PHE145J, PHE33G, PRO34G, PRO64J, PRO80G, SER131G, SER37G, THR67J, THR83G, TYR116G, TYR123J, TYR134G, TYR68J, VAL143J, VAL144J, VAL16J, VAL44G, VAL69J, VAL79G, VAL84G
• H-I: ALA122I, ALA127H, ALA132H, ALA35H, ARG112H, ARG46H, ASN121I, ASN136H, ASN32H, ASN41I, ASP24I, ASP30H, ASP48H, ASP66I, ASP82H, CYS18I, GLN133H, GLN140I, GLN25I, GLU130H, GLU19I, GLU36H, GLY142I, GLY21I, GLY23I, GLY31H, GLY39H, GLY81H, HIS22I, ILE38H, ILE43I, LYS120H, LYS141I, LYS15I, LYS40H, LYS78H, PHE113H, PHE145I, PHE33H, PRO34H, PRO64I, PRO80H, SER131H, SER37H, THR67I, TYR116H, TYR123I, TYR134H, TYR68I, VAL143I, VAL144I, VAL16I, VAL44H, VAL69I, VAL79H, VAL84H
• H-J: ALA122H, ALA127J, ALA132J, ALA35J, ALA42H, ARG112J, ARG46J, ASN121H, ASN32J, ASN41H, ASP24H, ASP30J, ASP48J, ASP66H, ASP82J, CYS18H, GLN133J, GLN140H, GLN25H, GLU130J, GLU19H, GLU36J, GLY142H, GLY21H, GLY23H, GLY31J, GLY39J, GLY81J, HIS22H, ILE38J, ILE43H, LYS120H, LYS141H, LYS15H, LYS40J, LYS78J, PHE113J, PHE145H, PHE33J, PRO34J, PRO64H, PRO80J, SER131J, SER37J, THR67H, TYR116J, TYR123H, TYR134J, TYR68H, VAL143H, VAL144H, VAL16H, VAL44J, VAL69H, VAL79J, VAL84J