2MSP

major sperm protein, beta isoform, engineered c59s/t90c mutant, putative subfilament structure, ph 8.5

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -4.4094
• Hub Node: A(2)

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	-86.0985	-20.737	-148.91	-255.7455	58	16	1	5707	0	20	12
A-E	-24.5443	-13.6876	-26.9222	-65.1541	18	5	0	1547	4	17	17
B-C	-43.8525	-29.3024	-159.602	-232.7569	67	10	1	6997	4	14	9
C-D	-73.1377	-18.7615	-127.934	-219.8332	58	15	1	5355	0	21	13
C-G	0.0	0.0	-11.1448	-11.1448	17	1	1	501	0	3	2
D-G	0.0	0.0	-5.8695	-5.8695	13	5	0	555	0	1	1
D-H	0.0	0.0	-1.3093	-1.3093	8	0	0	86	0	2	1
E-F	-59.3164	-31.1747	-163.735	-254.2261	67	9	1	7135	4	14	9
F-G	-65.9555	-19.2503	-130.945	-216.1508	57	14	1	5374	0	20	11
G-H	-63.2572	-25.67	-157.017	-245.9442	67	7	1	6892	4	14	9

Interface residues

• A-B: ARG106A, ARG106B, ARG116A, ARG116B, ARG117A, ARG117B, ARG88A, ARG88B, ASN119A, ASN119B, ASP112A, ASP112B, CYS90A, CYS90B, GLN110A, GLN110B, GLU107A, GLU107B, GLU92A, GLU92B, GLY111A, GLY111B, GLY113A, GLY113B, ILE89A, ILE89B, ILE91A, ILE91B, LEU120A, LEU120B, LYS118A, LYS118B, LYS46A, LYS46B, MET114A, MET114B, PHE109A, PHE109B, PRO121A, PRO121B, PRO5A, PRO5B, PRO6A, PRO6B, SER15A, SER15B, SER3A, SER3B, THR94A, THR94B, TRP108A, TRP108B, TRP93A, TRP93B, VAL115A, VAL115B, VAL4A, VAL4B
• A-E: ALA100E, ALA101E, ARG40E, ASP24A, ASP25A, ASP63E, ASP75A, CYS74A, GLN103E, GLU66E, GLY99E, HIS27A, LYS102E, LYS26A, PRO64E, SER73A, THR76A, VAL61E
• B-C: ALA21B, ALA21C, ALA79B, ALA79C, ASN125B, ASN125C, ASN20B, ASN20C, ASP24B, ASP24C, ASP25B, ASP25C, GLN12B, GLN12C, GLU123B, GLU123C, GLY14B, GLY14C, HIS27B, HIS27C, HIS30B, HIS30C, ILE122C, ILE17B, ILE17C, ILE31B, ILE31C, ILE33B, ILE33C, LEU120B, LEU120C, LEU126B, LEU126C, LEU69B, LEU69C, LYS16B, LYS16C, LYS32B, LYS32C, LYS67B, LYS67C, MET70B, MET70C, PHE19B, PHE19C, PRO121B, PRO121C, PRO13B, PRO13C, PRO22B, PRO22C, SER15B, SER15C, THR11B, THR11C, THR28B, THR28C, TYR124B, TYR124C, TYR23B, TYR23C, TYR29B, TYR29C, VAL18B, VAL18C, VAL68B, VAL68C
• C-D: ARG106C, ARG106D, ARG116C, ARG116D, ARG117C, ARG117D, ARG88C, ARG88D, ASN119C, ASN119D, ASP112C, ASP112D, CYS90C, CYS90D, GLN110C, GLN110D, GLU107C, GLU107D, GLU92C, GLU92D, GLY111C, GLY111D, GLY113C, GLY113D, ILE89C, ILE89D, ILE91C, ILE91D, LEU120C, LEU120D, LYS118C, LYS118D, LYS46C, LYS46D, MET114C, MET114D, PHE109C, PHE109D, PRO121C, PRO121D, PRO5C, PRO5D, PRO6C, PRO6D, SER3C, SER3D, THR48C, THR48D, THR94C, THR94D, TRP108C, TRP108D, TRP93C, TRP93D, VAL115C, VAL115D, VAL4C, VAL4D
• C-G: ALA36C, ALA79G, ALA80G, ARG116C, ASN78G, ASN85G, ASP83G, ASP8C, GLU82G, GLY38C, GLY7C, MET114C, PRO5C, PRO6C, SER3C, THR81G, VAL4C
• D-G: ALA79G, ALA80G, ARG116D, ARG39D, ASN78G, GLU82G, GLY7D, MET114D, PRO5D, PRO6D, SER3D, THR81G, VAL4D
• D-H: ALA36D, ASN10D, GLN12D, GLU66H, GLY38H, PRO64H, SER65H, THR34D
• E-F: ALA21E, ALA21F, ALA79E, ALA79F, ALA80E, ALA80F, ASN125E, ASN125F, ASN20E, ASN20F, ASP24E, ASP24F, ASP25E, ASP25F, GLN12E, GLN12F, GLU123E, GLU123F, GLY14E, GLY14F, HIS27E, HIS27F, HIS30E, HIS30F, ILE17E, ILE17F, ILE31E, ILE31F, ILE33E, ILE33F, LEU120E, LEU120F, LEU126E, LEU126F, LEU69E, LEU69F, LYS16E, LYS16F, LYS32E, LYS32F, LYS67E, LYS67F, MET70E, MET70F, PHE19E, PHE19F, PRO121E, PRO121F, PRO13E, PRO13F, PRO22E, PRO22F, SER15E, SER15F, THR11E, THR11F, THR28E, THR28F, TYR124E, TYR23E, TYR23F, TYR29E, TYR29F, VAL18E, VAL18F, VAL68E, VAL68F
• F-G: ARG106F, ARG106G, ARG116F, ARG116G, ARG117F, ARG117G, ARG88F, ARG88G, ASN119F, ASN119G, ASP112F, ASP112G, CYS90F, CYS90G, GLN110F, GLN110G, GLU107F, GLU107G, GLU92F, GLU92G, GLY111F, GLY111G, GLY113F, GLY113G, ILE89F, ILE89G, ILE91F, ILE91G, LEU120F, LEU120G, LYS118F, LYS118G, LYS46F, LYS46G, MET114F, MET114G, PHE109F, PHE109G, PRO121F, PRO121G, PRO5F, PRO5G, PRO6F, PRO6G, SER3F, SER3G, THR48F, THR94F, THR94G, TRP108F, TRP108G, TRP93F, TRP93G, VAL115F, VAL115G, VAL4F, VAL4G
• G-H: ALA21G, ALA21H, ALA79G, ALA79H, ASN125G, ASN125H, ASN20G, ASN20H, ASP24G, ASP24H, ASP25G, ASP25H, GLN12G, GLN12H, GLU123G, GLU123H, GLY14G, GLY14H, HIS27G, HIS27H, HIS30G, HIS30H, ILE122G, ILE122H, ILE17G, ILE17H, ILE31G, ILE31H, ILE33G, ILE33H, LEU120G, LEU120H, LEU126G, LEU126H, LEU69G, LEU69H, LYS16G, LYS16H, LYS32G, LYS32H, LYS67G, LYS67H, MET70G, PHE19G, PHE19H, PRO121G, PRO121H, PRO13G, PRO13H, PRO22G, PRO22H, SER15G, SER15H, THR11G, THR11H, THR28G, THR28H, TYR124G, TYR124H, TYR23G, TYR23H, TYR29G, TYR29H, VAL18G, VAL18H, VAL68G, VAL68H