3FMA

crystal structure of the gyf domain of smy2 in complex with a proline- rich peptide from bbp/scsf1

• Total interactions analyzed: 45
• Total true interactions: 17
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 126
  • Norm. En. per Res.: -5.0637
• 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	-31.56	0.0	-85.4141	-116.9741	45	2	4	3712	0	4	5
A-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
A-D	0.0	19.4922	-94.6582	-75.166	51	5	0	4344	0	7	3
A-L	0.0	0.0	-106.12	-106.12	29	1	1	3335	0	0	0
A-O	0.0	0.0	-0.1732	-0.1732	7	0	0	54	0	0	0
B-C	0.0	20.9928	-96.6778	-75.685	51	6	0	4198	0	8	2
B-E	0.0	0.0	-4.9928	-4.9928	9	0	0	212	0	0	1
B-M	-6.9698	0.0	-121.658	-128.6278	32	2	1	3934	0	0	0
B-N	0.0	0.0	-0.1787	-0.1787	7	0	0	56	0	0	0
C-D	-27.0661	0.0	-86.1497	-113.2158	43	2	3	3728	0	4	5
C-E	-64.4816	10.8784	-584.417	-638.0201	126	14	8	21272	0	37	25
C-M	0.0	0.0	-20.1119	-20.1119	12	1	2	764	0	0	0
C-N	0.0	0.0	-104.568	-104.568	27	2	1	3159	0	0	0
D-L	0.0	0.0	-5.6597	-5.6597	10	1	1	298	0	0	0
D-O	0.0	0.0	-99.7187	-99.7187	30	2	1	3218	0	0	0
E-M	0.0	0.0	-7.4071	-7.4071	7	0	0	310	0	0	0
E-P	0.0	0.0	-109.698	-109.698	28	2	1	3335	0	0	0

Interface residues

• A-B: ARG19A, ARG19B, ASN64A, ASN64B, ASP22A, ASP22B, ASP65A, ASP65B, GLN24A, GLN24B, GLN26A, GLN26B, GLN50A, GLN50B, GLU72A, GLU72B, GLY25A, GLY25B, HIS28B, ILE21A, ILE21B, ILE27A, ILE27B, ILE51A, ILE51B, ILE63A, ILE63B, ILE66A, ILE66B, ILE68A, ILE68B, LEU54A, LEU54B, LYS76A, LYS76B, PHE67A, PHE67B, SER52A, SER52B, THR23A, THR23B, THR69A, THR69B, TYR20A, TYR20B
• A-C: ARG19A, ARG19C
• A-D: ARG19A, ARG19D, ARG53A, ARG53D, ASP65A, ASP65D, ASP89A, GLN34A, GLN34D, GLN38A, GLN38D, GLU15A, GLU15D, GLY29A, GLY29D, GLY55A, GLY55D, HIS28A, HIS28D, ILE27A, ILE27D, LEU54A, LEU54D, PHE31A, PHE31D, PRO30A, PRO30D, PRO58A, PRO58D, SER13A, SER13D, SER16A, SER16D, SER17A, SER17D, SER56A, SER56D, THR32A, THR32D, THR33A, THR33D, THR57A, THR57D, TRP18A, TRP18D, TRP39A, TRP39D, TYR44A, VAL12D, VAL14A, VAL14D
• A-L: ALA46A, ALA4L, ASP22A, GLN24A, GLN26A, GLN38A, GLN50A, GLY25A, GLY29A, GLY42A, GLY43A, GLY8L, HIS28A, ILE21A, ILE27A, ILE51A, LEU49A, LEU9L, PHE31A, PHE45A, PRO5L, PRO6L, PRO7L, SER10L, THR23A, TRP39A, TYR20A, TYR40A, TYR44A
• A-O: ALA4O, PRO58A, PRO7O, SER13A, SER56A, THR57A, VAL14A
• B-C: ARG19B, ARG19C, ARG53B, ARG53C, ASP65B, ASP65C, GLN34B, GLN34C, GLN38B, GLN38C, GLU15B, GLU15C, GLY29B, GLY29C, GLY55B, GLY55C, HIS28B, HIS28C, ILE27B, ILE27C, LEU54B, LEU54C, PHE31B, PHE31C, PRO11C, PRO30B, PRO30C, PRO58B, PRO58C, SER13B, SER13C, SER16B, SER16C, SER17B, SER17C, SER56B, SER56C, THR32B, THR32C, THR33B, THR33C, THR57B, THR57C, TRP18B, TRP18C, TRP39B, TRP39C, TYR44B, VAL12C, VAL14B, VAL14C
• B-E: ASP89E, GLY29B, HIS28B, PHE31B, THR32B, THR95E, THR96E, TRP39B, TYR20B
• B-M: ALA46B, ALA4M, ASP22B, GLN24B, GLN26B, GLN38B, GLN50B, GLY25B, GLY29B, GLY42B, GLY43B, GLY8M, HIS28B, ILE21B, ILE27B, ILE3M, ILE41B, ILE51B, LEU49B, LEU9M, PHE31B, PHE45B, PRO5M, PRO6M, PRO7M, SER37B, THR23B, THR48B, TRP39B, TYR20B, TYR40B, TYR44B
• B-N: ALA4N, PRO58B, PRO7N, SER13B, SER56B, THR57B, VAL14B
• C-D: ARG19C, ARG19D, ASN64C, ASN64D, ASP22C, ASP22D, ASP65C, ASP65D, GLN24C, GLN24D, GLN26C, GLN26D, GLN50C, GLN50D, GLU72C, GLU72D, GLY25C, GLY25D, ILE21C, ILE21D, ILE27C, ILE27D, ILE51C, ILE51D, ILE63C, ILE63D, ILE66C, ILE66D, ILE68C, ILE68D, LEU54C, LYS76C, LYS76D, PHE67C, PHE67D, SER52C, SER52D, THR23C, THR23D, THR69C, THR69D, TYR20C, TYR20D
• C-E: ALA46C, ALA46E, ARG19C, ARG19E, ARG53C, ARG53E, ASN64C, ASN64E, ASP65C, ASP65E, ASP81C, ASP81E, ASP83C, ASP83E, ASP89C, ASP89E, GLN34C, GLN34E, GLN38C, GLN38E, GLN94C, GLN94E, GLU15C, GLU15E, GLU59C, GLU59E, GLU78C, GLU78E, GLY55C, GLY55E, GLY62C, GLY62E, GLY71C, GLY71E, HIS92C, HIS92E, ILE41C, ILE41E, ILE51C, ILE51E, ILE63C, ILE63E, ILE68C, ILE68E, LEU49C, LEU49E, LEU54C, LEU54E, LEU61C, LEU61E, LEU70C, LEU70E, LEU73C, LEU73E, LEU77C, LEU77E, LEU91C, LEU91E, LYS76C, LYS76E, LYS79C, LYS90C, LYS90E, PHE31C, PHE31E, PHE45C, PHE45E, PHE85C, PHE85E, PHE88C, PHE88E, PRO11C, PRO58C, PRO58E, PRO84C, PRO84E, SER13C, SER13E, SER16C, SER16E, SER17C, SER17E, SER37C, SER37E, SER47C, SER47E, SER52C, SER52E, SER56C, SER56E, THR32C, THR32E, THR33C, THR33E, THR57C, THR57E, THR60C, THR60E, THR75C, THR75E, THR82C, THR82E, THR86C, THR86E, THR87C, THR87E, THR95C, THR95E, THR96C, THR96E, TRP18C, TRP18E, TRP39C, TRP39E, TYR20C, TYR20E, TYR40C, TYR40E, TYR80C, TYR80E, VAL12C, VAL12E, VAL14C, VAL14E, VAL93C, VAL93E
• C-M: ALA4M, ILE3M, PRO11C, PRO58C, PRO5M, PRO6M, PRO7M, SER13C, SER56C, THR57C, VAL12C, VAL14C
• C-N: ALA46C, ALA4N, ASP22C, GLN24C, GLN26C, GLN38C, GLN50C, GLY29C, GLY42C, GLY43C, GLY8N, HIS28C, ILE21C, ILE27C, ILE51C, LEU49C, LEU9N, PHE31C, PHE45C, PRO5N, PRO6N, PRO7N, THR23C, TRP39C, TYR20C, TYR40C, TYR44C
• D-L: ALA4L, PRO58D, PRO5L, PRO6L, PRO7L, SER13D, SER56D, THR57D, VAL12D, VAL14D
• D-O: ALA46D, ALA4O, ASP22D, GLN24D, GLN26D, GLN38D, GLN50D, GLY25D, GLY29D, GLY42D, GLY43D, GLY8O, HIS28D, ILE21D, ILE27D, ILE51D, LEU49D, LEU9O, PHE31D, PHE45D, PRO5O, PRO6O, PRO7O, SER10O, THR23D, THR48D, TRP39D, TYR20D, TYR40D, TYR44D
• E-M: ALA4M, GLY8M, PRO5M, PRO6M, PRO7M, THR95E, THR96E
• E-P: ALA46E, ALA4P, ASP22E, GLN24E, GLN26E, GLN38E, GLN50E, GLY29E, GLY42E, GLY43E, GLY8P, HIS28E, ILE21E, ILE27E, ILE51E, LEU49E, LEU9P, PHE31E, PHE45E, PRO5P, PRO6P, PRO7P, SER10P, THR23E, TRP39E, TYR20E, TYR40E, TYR44E