1AYP

a probe molecule composed of seventeen percent of total diffracting matter gives correct solutions in molecular replacement

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 40
  • Norm. En. per Res.: -3.2891
• 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	3.1128	-22.0045	-18.8917	24	2	1	1016	0	0	11
A-C	0.0	0.0	-8.0107	-8.0107	22	0	1	621	0	1	8
A-D	-6.0896	11.1313	-42.205	-37.1633	45	2	0	2556	1	12	40
A-F	-30.84	1.9006	-89.5069	-118.4463	37	3	0	3213	0	15	12
B-C	-6.3676	6.4624	-27.0385	-26.9437	30	3	1	1128	0	0	8
B-E	-24.8447	-7.6552	-90.6395	-123.1395	41	7	1	3319	0	14	14
B-F	-5.2038	52.1564	-66.1975	-19.2449	50	9	0	3305	2	13	43
C-D	-33.8079	-4.4778	-93.2793	-131.565	40	6	1	3349	0	14	13
C-E	0.0	25.0916	-50.9491	-25.8575	46	6	0	2900	0	12	43
D-E	0.0	2.3075	-6.5369	-4.2294	19	0	1	597	0	1	8
D-F	0.0	0.8799	-5.2865	-4.4066	23	0	1	577	0	0	13
E-F	0.0	1.9541	-8.8402	-6.8861	21	0	1	735	0	1	8

Interface residues

• A-B: ALA18A, ARG7A, ARG84A, ASN106B, ASN1A, ASN4A, GLN110B, GLU16A, HIS116B, HIS6A, LEU19B, LEU64A, LYS107B, LYS108B, LYS115B, PHE23B, PHE63A, SER113B, SER65A, TYR105B, TYR109B, TYR111B, TYR112B, VAL3A
• A-C: ALA18C, ARG7C, ARG84C, ASN1C, ASN4C, GLN110A, HIS116A, HIS6C, LEU19A, LEU64C, LYS107A, LYS108A, LYS10C, LYS115A, LYS67C, PHE23A, PHE63C, SER113A, SER65C, TYR111A, TYR112A, VAL3C
• A-D: ARG118A, ARG118D, ARG123A, ARG123D, ARG33A, ARG33D, ASN114A, ASN114D, ASP48A, ASP48D, CYS117A, CYS117D, CYS124D, CYS26A, GLU55A, GLU55D, GLY119A, GLY119D, GLY29A, GLY31A, GLY31D, GLY32A, GLY32D, GLY34A, GLY34D, HIS116A, HIS116D, HIS27A, HIS27D, LYS115A, LYS115D, LYS52A, LYS52D, LYS56A, LYS56D, LYS62A, LYS62D, SER120A, SER120D, THR121A, THR121D, TYR51A, TYR51D, VAL30A, VAL30D
• A-F: ARG57A, ARG57F, ARG84A, ARG84F, ASP81A, ASP81F, CYS59A, CYS59F, CYS83A, CYS83F, GLU55A, GLU55F, GLY58A, GLY58F, GLY60A, GLY60F, LEU54A, LEU54F, LEU64A, LEU64F, LEU87A, LEU87F, LYS52A, LYS52F, LYS56A, LYS56F, LYS62A, LYS62F, PHE63A, PHE63F, SER65A, SER65F, SER82A, SER82F, SER85A, THR61A, THR61F
• B-C: ALA18B, ARG7B, ARG84B, ASN106C, ASN1B, ASN4B, GLN110C, GLU16B, HIS116C, HIS6B, LEU11B, LEU19C, LEU64B, LYS107C, LYS108C, LYS10B, LYS115C, LYS67B, PHE23C, PHE63B, PHE68B, SER113C, SER20C, SER65B, SER69B, TYR105C, TYR109C, TYR111C, TYR112C, VAL3B
• B-E: ARG53B, ARG53E, ARG57B, ARG57E, ARG84B, ARG84E, ASP81B, ASP81E, CYS59B, CYS59E, CYS83B, CYS83E, GLU55B, GLU55E, GLY58B, GLY58E, GLY60B, GLY60E, LEU54B, LEU54E, LEU64B, LEU64E, LEU87B, LEU87E, LYS52B, LYS52E, LYS56B, LYS56E, LYS62B, LYS62E, LYS67B, PHE63B, PHE63E, SER65B, SER65E, SER82B, SER82E, SER85B, SER85E, THR61B, THR61E
• B-F: ARG118B, ARG118F, ARG123B, ARG123F, ARG33B, ARG33F, ASN114B, ASN114F, ASP48B, ASP48F, CYS117B, CYS117F, CYS124B, CYS124F, CYS26B, CYS26F, GLU55B, GLU55F, GLY119B, GLY119F, GLY29F, GLY31B, GLY31F, GLY32B, GLY32F, GLY34B, GLY34F, HIS116B, HIS116F, HIS27B, HIS27F, LYS115B, LYS115F, LYS52B, LYS52F, LYS56F, LYS62B, LYS62F, PRO122B, SER120B, SER120F, SER35B, SER35F, THR121B, THR121F, THR61B, TYR51B, TYR51F, VAL30B, VAL30F
• C-D: ARG53C, ARG53D, ARG57C, ARG57D, ARG84C, ARG84D, ASP81C, ASP81D, CYS59C, CYS59D, CYS83C, CYS83D, GLU55C, GLU55D, GLY58C, GLY58D, GLY60C, GLY60D, LEU54C, LEU54D, LEU64C, LEU64D, LEU87C, LEU87D, LYS52C, LYS52D, LYS56C, LYS56D, LYS62C, LYS62D, PHE63C, PHE63D, SER65C, SER65D, SER82C, SER82D, SER85C, SER85D, THR61C, THR61D
• C-E: ARG118C, ARG118E, ARG123C, ARG123E, ARG33C, ARG33E, ASN114C, ASN114E, ASP48C, ASP48E, CYS117C, CYS117E, CYS124C, CYS26E, GLU55C, GLU55E, GLY119C, GLY119E, GLY29C, GLY29E, GLY31C, GLY31E, GLY32C, GLY32E, GLY34C, GLY34E, HIS116C, HIS116E, HIS27C, HIS27E, LYS115C, LYS115E, LYS52C, LYS52E, LYS56C, LYS56E, LYS62C, LYS62E, SER113C, SER120C, SER120E, THR121C, THR121E, TYR51C, VAL30C, VAL30E
• D-E: ALA18D, ARG7D, ARG84D, ASN1D, ASN4D, GLN110E, HIS116E, HIS6D, LEU11D, LEU19E, LYS107E, LYS108E, LYS10D, SER113E, SER65D, TYR109E, TYR111E, TYR112E, VAL3D
• D-F: ARG7F, ARG84F, ASN1F, ASN4F, GLN110D, GLU16F, HIS116D, HIS6F, LEU11F, LEU19D, LEU64F, LYS107D, LYS108D, LYS115D, LYS67F, PHE23D, PHE63F, SER113D, SER65F, TYR109D, TYR111D, TYR112D, VAL3F
• E-F: ARG7E, ARG84E, ASN1E, ASN4E, GLN110F, HIS116F, HIS6E, LEU11E, LEU19F, LEU64E, LYS107F, LYS108F, LYS10E, LYS115F, PHE23F, PHE63E, SER113F, SER65E, TYR111F, TYR112F, VAL3E