3FHN

structure of tip20p

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 143
  • Norm. En. per Res.: -2.9113
• 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	-24.188	21.9697	-260.415	-262.6334	180	48	0	13900	4	88	79
A-D	-34.1736	-29.5386	-352.606	-416.3182	143	23	22	18654	1	40	29
B-C	-41.3457	-42.1093	-272.426	-355.881	138	15	10	11143	2	50	29

Interface residues

• A-B: ALA372A, ARG374A, ARG374B, ARG417A, ARG417B, ARG448A, ARG448B, ARG521A, ARG521B, ARG531A, ARG531B, ARG569A, ARG694A, ARG694B, ASN366A, ASN366B, ASN373A, ASN373B, ASN378A, ASN378B, ASN382A, ASN382B, ASN429A, ASN429B, ASN445A, ASN445B, ASN516B, ASN597A, ASN597B, ASN607A, ASN607B, ASN699A, ASN699B, ASP358A, ASP358B, ASP385A, ASP385B, ASP436A, ASP436B, ASP442A, ASP442B, ASP513A, ASP513B, ASP690A, ASP690B, GLN375A, GLN452A, GLN452B, GLN456A, GLN456B, GLN523A, GLN523B, GLN689A, GLN689B, GLU359A, GLU359B, GLU362A, GLU362B, GLU370A, GLU370B, GLU384A, GLU384B, GLU446A, GLU446B, GLU451A, GLU451B, GLU453A, GLU453B, GLU528A, GLU528B, GLU601A, GLU601B, GLU664B, GLY669B, GLY698A, GLY698B, HIS520A, HIS520B, ILE365A, ILE365B, ILE377A, ILE377B, ILE438A, ILE438B, ILE522B, ILE603B, ILE666B, ILE696A, ILE696B, LEU324A, LEU324B, LEU327A, LEU425A, LEU425B, LEU439A, LEU439B, LEU444A, LEU444B, LEU525A, LEU525B, LEU526A, LEU526B, LEU604B, LEU606A, LEU606B, LYS363A, LYS363B, LYS381A, LYS381B, LYS450A, LYS450B, LYS460A, LYS460B, LYS524A, LYS524B, LYS527A, LYS527B, LYS535A, LYS535B, LYS605A, LYS605B, LYS608A, LYS608B, LYS667A, LYS667B, PHE376A, PHE376B, PHE534A, PHE534B, PHE609B, PRO383A, PRO383B, PRO663A, PRO663B, SER357A, SER357B, SER433A, SER433B, SER443A, SER443B, SER517A, SER517B, SER602A, SER602B, THR380A, THR380B, THR440A, THR440B, THR447A, THR447B, THR449A, THR449B, THR668B, THR686A, THR686B, TRP361A, TRP361B, TRP364A, TRP364B, TYR367A, TYR367B, TYR418A, TYR418B, TYR437A, TYR437B, TYR598A, TYR693A, TYR693B, TYR697A, TYR697B, VAL360A, VAL360B, VAL369A, VAL369B, VAL441A, VAL441B, VAL519A, VAL519B, VAL594A, VAL594B
• A-D: ALA25A, ALA25D, ALA36A, ALA36D, ALA49A, ALA49D, ALA57A, ALA57D, ALA82A, ALA82D, ARG13A, ARG13D, ARG21A, ARG21D, ASN11A, ASN11D, ASN137A, ASN137D, ASN19A, ASN19D, ASN22A, ASN22D, ASN30A, ASN30D, ASN38A, ASN38D, ASN76A, ASN76D, ASN9A, ASN9D, ASP12A, ASP12D, ASP139A, ASP139D, ASP39A, ASP39D, ASP51A, ASP51D, ASP5A, ASP5D, ASP6A, ASP6D, GLN141A, GLN141D, GLN16A, GLN16D, GLN18A, GLN18D, GLN29A, GLN29D, GLN33A, GLN33D, GLN50A, GLN50D, GLN73A, GLN73D, GLN84A, GLN84D, GLN85A, GLN85D, GLN89A, GLN89D, GLU20A, GLU20D, GLU23A, GLU23D, GLU54A, GLU54D, GLU79A, GLU79D, GLY56A, GLY56D, GLY61A, ILE10A, ILE10D, ILE135A, ILE135D, ILE138A, ILE138D, ILE14A, ILE14D, ILE52A, ILE52D, ILE53A, ILE53D, ILE74A, ILE74D, LEU24A, LEU24D, LEU28A, LEU28D, LEU31A, LEU31D, LEU35A, LEU35D, LEU44A, LEU44D, LEU62A, LEU62D, LEU65A, LEU75A, LEU75D, LEU78A, LEU78D, LEU7A, LEU7D, LEU8A, LEU8D, LYS15A, LYS15D, LYS27A, LYS27D, LYS32A, LYS32D, LYS77A, LYS77D, LYS80A, LYS80D, SER140A, SER140D, SER26A, SER26D, SER34A, SER34D, SER37A, SER37D, SER58A, SER58D, THR40D, THR86A, THR86D, TYR142A, TYR142D, VAL17A, VAL17D, VAL55A, VAL55D, VAL59A, VAL59D, VAL81A, VAL81D, VAL83A, VAL83D
• B-C: ALA187B, ALA187C, ALA277B, ALA277C, ALA336B, ALA336C, ALA582B, ARG469B, ARG469C, ASN273B, ASN273C, ASN279B, ASN279C, ASN285B, ASN285C, ASN340B, ASN340C, ASN343B, ASN343C, ASN465B, ASN465C, ASN477B, ASN477C, ASN488B, ASN488C, ASN496B, ASN496C, ASP274B, ASP274C, ASP338B, ASP338C, ASP402B, ASP402C, ASP409B, ASP409C, ASP411B, ASP411C, ASP485B, ASP485C, CYS283B, CYS283C, GLN184B, GLN184C, GLN270B, GLN270C, GLN482B, GLN482C, GLU278B, GLU278C, GLU405B, GLU405C, HIS300B, HIS300C, HIS346B, HIS346C, HIS348B, HIS348C, ILE284B, ILE284C, ILE286B, ILE304C, ILE471B, ILE471C, ILE479B, ILE479C, ILE481B, ILE481C, LEU276B, LEU276C, LEU280B, LEU280C, LEU335B, LEU335C, LEU341C, LEU342B, LEU342C, LEU410B, LEU410C, LEU474B, LEU474C, LEU483C, LEU581B, LEU581C, LYS185B, LYS185C, LYS282B, LYS282C, LYS296B, LYS296C, LYS339B, LYS339C, LYS419B, LYS419C, LYS470B, LYS470C, LYS472B, LYS472C, PHE186B, PHE186C, PHE345B, PHE345C, PHE412B, PHE412C, PHE478B, PHE478C, PHE480B, PHE480C, PRO406B, PRO406C, PRO580B, SER188B, SER188C, SER344B, SER344C, SER473B, SER473C, SER475B, SER475C, SER476B, SER476C, SER497C, THR183B, THR183C, THR189B, THR189C, THR484B, THR484C, TYR275B, TYR281B, TYR281C, TYR401B, TYR401C, TYR408B, TYR408C, TYR468B, TYR468C, TYR495B, VAL467C