FMO DATABASE

FMODB ID: 4L82N

Calculation Name: 4DHX-B-Xray540

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4DHX

Chain ID: B

ChEMBL ID:

UniProt ID: Q9NPA8

Base Structure: X-ray

Registration Date: 2025-07-08

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	176
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-572105.818603
FMO2-HF: Nuclear repulsion	535775.032272
FMO2-HF: Total energy	-36330.786331
FMO2-MP2: Total energy	-36436.504303

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(B:9:ASP)

Summations of interaction energy for fragment #1(B:9:ASP)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
5.385	7.106	0.014	-0.519	-1.218	0.003

Interaction energy analysis for fragmet #1(B:9:ASP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.154 / q_NPA : 0.008

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
4	B	10	ALA	0	-0.052	0.132	4.446	0.205	0.399	0.000	-0.099	-0.095	0.000
5	B	11	GLN	0	0.040	-0.108	3.768	0.067	1.369	-0.005	-0.674	-0.622	0.003
6	B	11	GLN	0	-0.035	0.116	4.613	1.086	1.215	-0.001	-0.025	-0.104	0.000
7	B	12	MET	0	0.066	-0.125	3.649	2.078	2.212	-0.002	-0.022	-0.111	0.000
8	B	12	MET	0	-0.067	0.127	3.327	0.741	0.593	0.023	0.332	-0.208	0.000
9	B	13	ARG	0	0.085	-0.084	4.871	1.209	1.209	0.000	0.000	0.000	0.000
10	B	13	ARG	1	0.857	1.053	4.079	-1.182	-1.072	-0.001	-0.031	-0.078	0.000
11	B	14	ALA	0	0.081	-0.116	6.520	0.588	0.588	0.000	0.000	0.000	0.000
12	B	14	ALA	0	-0.064	0.126	8.597	0.018	0.018	0.000	0.000	0.000	0.000
13	B	15	ALA	0	0.118	-0.103	8.347	0.459	0.459	0.000	0.000	0.000	0.000
14	B	15	ALA	0	-0.068	0.125	8.795	-0.063	-0.063	0.000	0.000	0.000	0.000
15	B	16	ILE	0	0.048	-0.135	9.149	0.233	0.233	0.000	0.000	0.000	0.000
16	B	16	ILE	0	-0.096	0.110	8.335	0.047	0.047	0.000	0.000	0.000	0.000
17	B	17	ASN	0	0.104	-0.073	10.484	0.182	0.182	0.000	0.000	0.000	0.000
18	B	17	ASN	0	-0.109	0.063	11.224	0.077	0.077	0.000	0.000	0.000	0.000
19	B	18	GLN	0	0.095	-0.112	12.450	0.158	0.158	0.000	0.000	0.000	0.000
20	B	18	GLN	0	-0.070	0.124	13.849	-0.071	-0.071	0.000	0.000	0.000	0.000
21	B	19	LYS	0	0.125	-0.087	13.920	0.098	0.098	0.000	0.000	0.000	0.000
22	B	19	LYS	1	0.846	1.092	14.292	0.574	0.574	0.000	0.000	0.000	0.000
23	B	20	LEU	0	0.068	-0.097	14.690	0.055	0.055	0.000	0.000	0.000	0.000
24	B	20	LEU	0	-0.130	0.077	13.097	0.022	0.022	0.000	0.000	0.000	0.000
25	B	21	ILE	0	0.044	-0.098	16.429	0.063	0.063	0.000	0.000	0.000	0.000
26	B	21	ILE	0	-0.106	0.077	16.338	0.015	0.015	0.000	0.000	0.000	0.000
27	B	22	GLU	0	0.069	-0.102	18.546	0.055	0.055	0.000	0.000	0.000	0.000
28	B	22	GLU	-1	-0.922	-0.824	18.824	-0.446	-0.446	0.000	0.000	0.000	0.000
29	B	23	THR	0	-0.043	-0.113	19.572	0.025	0.025	0.000	0.000	0.000	0.000
30	B	23	THR	0	-0.048	0.052	18.781	0.012	0.012	0.000	0.000	0.000	0.000
31	B	24	GLY	0	0.041	-0.058	21.253	0.025	0.025	0.000	0.000	0.000	0.000
32	B	25	GLU	0	0.115	-0.016	19.616	0.043	0.043	0.000	0.000	0.000	0.000
33	B	25	GLU	-1	-0.905	-0.785	18.544	-0.140	-0.140	0.000	0.000	0.000	0.000
34	B	26	ARG	0	0.051	-0.123	18.635	0.041	0.041	0.000	0.000	0.000	0.000
35	B	26	ARG	1	0.875	1.066	15.860	-0.009	-0.009	0.000	0.000	0.000	0.000
36	B	27	GLU	0	0.040	-0.172	19.388	0.044	0.044	0.000	0.000	0.000	0.000
37	B	27	GLU	-1	-0.975	-0.795	23.312	-0.084	-0.084	0.000	0.000	0.000	0.000
38	B	28	ARG	0	0.158	-0.080	23.001	0.027	0.027	0.000	0.000	0.000	0.000
39	B	28	ARG	1	0.789	1.040	22.564	0.098	0.098	0.000	0.000	0.000	0.000
40	B	29	LEU	0	0.013	-0.153	20.618	0.016	0.016	0.000	0.000	0.000	0.000
41	B	29	LEU	0	-0.104	0.111	18.238	0.010	0.010	0.000	0.000	0.000	0.000
42	B	30	LYS	0	0.096	-0.079	22.059	0.031	0.031	0.000	0.000	0.000	0.000
43	B	30	LYS	1	0.856	1.063	21.767	-0.036	-0.036	0.000	0.000	0.000	0.000
44	B	31	GLU	0	0.057	-0.161	22.969	0.028	0.028	0.000	0.000	0.000	0.000
45	B	31	GLU	-1	-0.965	-0.795	26.952	-0.024	-0.024	0.000	0.000	0.000	0.000
46	B	32	LEU	0	0.057	-0.120	25.672	0.011	0.011	0.000	0.000	0.000	0.000
47	B	32	LEU	0	-0.066	0.110	25.034	0.000	0.000	0.000	0.000	0.000	0.000
48	B	33	LEU	0	0.056	-0.111	23.563	0.005	0.005	0.000	0.000	0.000	0.000
49	B	33	LEU	0	-0.098	0.096	20.173	0.006	0.006	0.000	0.000	0.000	0.000
50	B	34	ARG	0	0.087	-0.079	24.898	0.016	0.016	0.000	0.000	0.000	0.000
51	B	34	ARG	1	0.852	1.045	25.715	-0.065	-0.065	0.000	0.000	0.000	0.000
52	B	35	ALA	0	0.099	-0.114	27.501	0.010	0.010	0.000	0.000	0.000	0.000
53	B	35	ALA	0	-0.041	0.139	29.683	-0.003	-0.003	0.000	0.000	0.000	0.000
54	B	36	LYS	0	0.081	-0.101	28.162	-0.003	-0.003	0.000	0.000	0.000	0.000
55	B	36	LYS	1	0.845	1.074	27.492	-0.051	-0.051	0.000	0.000	0.000	0.000
56	B	37	LEU	0	0.098	-0.097	28.300	0.002	0.002	0.000	0.000	0.000	0.000
57	B	37	LEU	0	-0.121	0.077	25.047	0.002	0.002	0.000	0.000	0.000	0.000
58	B	38	ILE	0	0.067	-0.109	29.254	0.009	0.009	0.000	0.000	0.000	0.000
59	B	38	ILE	0	-0.102	0.072	31.403	-0.001	-0.001	0.000	0.000	0.000	0.000
60	B	39	GLU	0	0.101	-0.116	32.371	0.001	0.001	0.000	0.000	0.000	0.000
61	B	39	GLU	-1	-1.005	-0.829	32.583	0.051	0.051	0.000	0.000	0.000	0.000
62	B	40	CYS	0	-0.027	-0.107	32.063	-0.005	-0.005	0.000	0.000	0.000	0.000
63	B	40	CYS	0	-0.151	0.080	30.077	0.004	0.004	0.000	0.000	0.000	0.000
64	B	41	GLY	0	0.093	-0.056	33.367	0.005	0.005	0.000	0.000	0.000	0.000
65	B	42	TRP	0	0.110	0.006	30.468	0.001	0.001	0.000	0.000	0.000	0.000
66	B	42	TRP	0	-0.104	0.071	26.864	-0.008	-0.008	0.000	0.000	0.000	0.000
67	B	43	LYS	0	0.096	-0.092	31.934	0.010	0.010	0.000	0.000	0.000	0.000
68	B	43	LYS	1	0.882	1.067	32.094	-0.078	-0.078	0.000	0.000	0.000	0.000
69	B	44	ASP	0	0.034	-0.156	32.976	0.002	0.002	0.000	0.000	0.000	0.000
70	B	44	ASP	-1	-0.941	-0.805	36.965	0.078	0.078	0.000	0.000	0.000	0.000
71	B	45	GLN	0	0.075	-0.107	34.422	-0.005	-0.005	0.000	0.000	0.000	0.000
72	B	45	GLN	0	-0.061	0.104	32.809	0.010	0.010	0.000	0.000	0.000	0.000
73	B	46	LEU	0	0.052	-0.121	32.815	0.004	0.004	0.000	0.000	0.000	0.000
74	B	46	LEU	0	-0.100	0.101	29.485	0.000	0.000	0.000	0.000	0.000	0.000
75	B	47	LYS	0	0.093	-0.064	33.842	0.003	0.003	0.000	0.000	0.000	0.000
76	B	47	LYS	1	0.847	1.047	36.068	-0.078	-0.078	0.000	0.000	0.000	0.000
77	B	48	ALA	0	0.100	-0.093	37.130	-0.004	-0.004	0.000	0.000	0.000	0.000
78	B	48	ALA	0	-0.077	0.115	38.288	0.000	0.000	0.000	0.000	0.000	0.000
79	B	49	HIS	0	0.102	-0.083	35.875	-0.005	-0.005	0.000	0.000	0.000	0.000
80	B	49	HIS	0	-0.071	0.085	33.504	-0.006	-0.006	0.000	0.000	0.000	0.000
81	B	50	CYS	0	0.088	-0.109	36.950	0.003	0.003	0.000	0.000	0.000	0.000
82	B	50	CYS	0	-0.134	0.085	35.155	0.000	0.000	0.000	0.000	0.000	0.000
83	B	51	LYS	0	0.131	-0.052	37.809	-0.001	-0.001	0.000	0.000	0.000	0.000
84	B	51	LYS	1	0.863	1.057	41.842	-0.078	-0.078	0.000	0.000	0.000	0.000
85	B	52	GLU	0	0.052	-0.120	40.697	-0.006	-0.006	0.000	0.000	0.000	0.000
86	B	52	GLU	-1	-0.987	-0.851	40.222	0.098	0.098	0.000	0.000	0.000	0.000
87	B	53	VAL	0	0.111	-0.089	38.557	-0.003	-0.003	0.000	0.000	0.000	0.000
88	B	53	VAL	0	-0.070	0.102	36.649	0.001	0.001	0.000	0.000	0.000	0.000
89	B	54	ILE	0	0.064	-0.096	40.031	0.001	0.001	0.000	0.000	0.000	0.000
90	B	54	ILE	0	-0.099	0.077	40.256	-0.001	-0.001	0.000	0.000	0.000	0.000
91	B	55	LYS	0	0.080	-0.075	42.200	-0.003	-0.003	0.000	0.000	0.000	0.000
92	B	55	LYS	1	0.833	1.045	44.980	-0.090	-0.090	0.000	0.000	0.000	0.000
93	B	56	GLU	0	0.047	-0.110	43.181	-0.006	-0.006	0.000	0.000	0.000	0.000
94	B	56	GLU	-1	-1.055	-0.876	42.257	0.109	0.109	0.000	0.000	0.000	0.000
95	B	57	LYS	0	0.015	-0.125	42.027	-0.002	-0.002	0.000	0.000	0.000	0.000
96	B	57	LYS	1	0.884	1.085	39.115	-0.134	-0.134	0.000	0.000	0.000	0.000
97	B	58	GLY	0	0.051	-0.066	43.427	-0.003	-0.003	0.000	0.000	0.000	0.000
98	B	59	LEU	0	0.093	-0.023	44.213	0.005	0.005	0.000	0.000	0.000	0.000
99	B	59	LEU	0	-0.088	0.088	43.589	-0.001	-0.001	0.000	0.000	0.000	0.000
100	B	60	GLU	0	0.010	-0.133	45.020	0.000	0.000	0.000	0.000	0.000	0.000
101	B	60	GLU	-1	-1.010	-0.843	48.215	0.066	0.066	0.000	0.000	0.000	0.000
102	B	61	HIS	0	0.016	-0.112	43.815	-0.002	-0.002	0.000	0.000	0.000	0.000
103	B	61	HIS	0	-0.105	0.081	43.373	0.003	0.003	0.000	0.000	0.000	0.000
104	B	62	VAL	0	0.105	-0.066	40.180	0.004	0.004	0.000	0.000	0.000	0.000
105	B	62	VAL	0	-0.103	0.071	38.683	0.001	0.001	0.000	0.000	0.000	0.000
106	B	63	THR	0	0.000	-0.094	37.579	-0.008	-0.008	0.000	0.000	0.000	0.000
107	B	63	THR	0	-0.011	0.079	36.627	0.003	0.003	0.000	0.000	0.000	0.000
108	B	64	VAL	0	0.089	-0.114	34.912	0.005	0.005	0.000	0.000	0.000	0.000
109	B	64	VAL	0	-0.062	0.100	32.798	-0.001	-0.001	0.000	0.000	0.000	0.000
110	B	65	ASP	0	0.101	-0.126	31.821	0.006	0.006	0.000	0.000	0.000	0.000
111	B	65	ASP	-1	-0.981	-0.822	31.665	0.146	0.146	0.000	0.000	0.000	0.000
112	B	66	ASP	0	0.075	-0.108	32.220	0.019	0.019	0.000	0.000	0.000	0.000
113	B	66	ASP	-1	-0.898	-0.806	35.994	0.136	0.136	0.000	0.000	0.000	0.000
114	B	67	LEU	0	0.074	-0.104	34.084	0.012	0.012	0.000	0.000	0.000	0.000
115	B	67	LEU	0	-0.107	0.089	34.815	-0.001	-0.001	0.000	0.000	0.000	0.000
116	B	68	VAL	0	0.081	-0.107	30.172	0.005	0.005	0.000	0.000	0.000	0.000
117	B	68	VAL	0	-0.088	0.101	28.182	0.001	0.001	0.000	0.000	0.000	0.000
118	B	69	ALA	0	0.073	-0.103	29.383	0.020	0.020	0.000	0.000	0.000	0.000
119	B	69	ALA	0	-0.043	0.139	30.711	0.000	0.000	0.000	0.000	0.000	0.000
120	B	70	GLU	0	0.086	-0.117	30.324	0.022	0.022	0.000	0.000	0.000	0.000
121	B	70	GLU	-1	-1.010	-0.845	34.370	0.174	0.174	0.000	0.000	0.000	0.000
122	B	71	ILE	0	-0.061	-0.161	31.834	0.009	0.009	0.000	0.000	0.000	0.000
123	B	71	ILE	0	-0.093	0.116	30.617	-0.001	-0.001	0.000	0.000	0.000	0.000
124	B	72	THR	0	0.010	-0.097	27.138	-0.002	-0.002	0.000	0.000	0.000	0.000
125	B	72	THR	0	-0.088	0.029	25.090	0.008	0.008	0.000	0.000	0.000	0.000
126	B	73	PRO	0	0.011	-0.094	26.461	0.017	0.017	0.000	0.000	0.000	0.000
127	B	74	LYS	0	0.121	0.007	27.204	0.018	0.018	0.000	0.000	0.000	0.000
128	B	74	LYS	1	0.906	1.103	31.308	-0.165	-0.165	0.000	0.000	0.000	0.000
129	B	75	GLY	0	0.010	-0.093	28.275	-0.005	-0.005	0.000	0.000	0.000	0.000
130	B	76	ARG	0	0.138	-0.006	24.054	-0.012	-0.012	0.000	0.000	0.000	0.000
131	B	76	ARG	1	0.853	1.072	21.016	-0.387	-0.387	0.000	0.000	0.000	0.000
132	B	77	ALA	0	0.053	-0.130	24.353	0.020	0.020	0.000	0.000	0.000	0.000
133	B	77	ALA	0	-0.064	0.126	26.881	-0.001	-0.001	0.000	0.000	0.000	0.000
134	B	78	LEU	0	0.007	-0.108	26.412	0.003	0.003	0.000	0.000	0.000	0.000
135	B	78	LEU	0	-0.078	0.102	29.477	-0.005	-0.005	0.000	0.000	0.000	0.000
136	B	79	VAL	0	0.058	-0.112	24.487	-0.028	-0.028	0.000	0.000	0.000	0.000
137	B	79	VAL	0	-0.110	0.096	22.874	0.002	0.002	0.000	0.000	0.000	0.000
138	B	80	PRO	0	0.054	-0.074	25.280	0.017	0.017	0.000	0.000	0.000	0.000
139	B	81	ASP	0	0.082	-0.052	23.434	0.006	0.006	0.000	0.000	0.000	0.000
140	B	81	ASP	-1	-0.892	-0.799	23.546	0.284	0.284	0.000	0.000	0.000	0.000
141	B	82	SER	0	0.030	-0.081	23.425	0.009	0.009	0.000	0.000	0.000	0.000
142	B	82	SER	0	-0.001	0.082	27.252	0.001	0.001	0.000	0.000	0.000	0.000
143	B	83	VAL	0	0.062	-0.118	24.345	-0.011	-0.011	0.000	0.000	0.000	0.000
144	B	83	VAL	0	-0.035	0.133	23.117	-0.001	-0.001	0.000	0.000	0.000	0.000
145	B	84	LYS	0	0.065	-0.097	20.352	-0.022	-0.022	0.000	0.000	0.000	0.000
146	B	84	LYS	1	0.858	1.083	19.705	-0.332	-0.332	0.000	0.000	0.000	0.000
147	B	85	LYS	0	0.091	-0.091	19.331	0.022	0.022	0.000	0.000	0.000	0.000
148	B	85	LYS	1	0.872	1.077	21.857	-0.143	-0.143	0.000	0.000	0.000	0.000
149	B	86	GLU	0	0.069	-0.153	20.564	-0.006	-0.006	0.000	0.000	0.000	0.000
150	B	86	GLU	-1	-0.993	-0.819	23.645	0.054	0.054	0.000	0.000	0.000	0.000
151	B	87	LEU	0	0.082	-0.116	19.412	-0.040	-0.040	0.000	0.000	0.000	0.000
152	B	87	LEU	0	-0.097	0.115	17.418	0.005	0.005	0.000	0.000	0.000	0.000
153	B	88	LEU	0	0.116	-0.101	15.962	-0.043	-0.043	0.000	0.000	0.000	0.000
154	B	88	LEU	0	-0.114	0.105	13.896	0.011	0.011	0.000	0.000	0.000	0.000
155	B	89	GLN	0	0.082	-0.124	16.345	-0.028	-0.028	0.000	0.000	0.000	0.000
156	B	89	GLN	0	-0.068	0.114	20.127	-0.023	-0.023	0.000	0.000	0.000	0.000
157	B	90	ARG	0	0.051	-0.113	18.848	-0.040	-0.040	0.000	0.000	0.000	0.000
158	B	90	ARG	1	0.884	1.082	19.438	0.012	0.012	0.000	0.000	0.000	0.000
159	B	91	ILE	0	0.100	-0.084	14.637	-0.061	-0.061	0.000	0.000	0.000	0.000
160	B	91	ILE	0	-0.090	0.094	12.599	0.008	0.008	0.000	0.000	0.000	0.000
161	B	92	ARG	0	0.068	-0.072	14.345	-0.085	-0.085	0.000	0.000	0.000	0.000
162	B	92	ARG	1	0.884	1.056	13.713	-0.169	-0.169	0.000	0.000	0.000	0.000
163	B	93	THR	0	0.053	-0.079	15.349	-0.066	-0.066	0.000	0.000	0.000	0.000
164	B	93	THR	0	-0.046	0.070	19.713	0.005	0.005	0.000	0.000	0.000	0.000
165	B	94	PHE	0	0.112	-0.075	16.959	-0.027	-0.027	0.000	0.000	0.000	0.000
166	B	94	PHE	0	-0.081	0.094	14.289	0.000	0.000	0.000	0.000	0.000	0.000
167	B	95	LEU	0	0.036	-0.122	13.042	-0.048	-0.048	0.000	0.000	0.000	0.000
168	B	95	LEU	0	-0.087	0.088	10.363	-0.005	-0.005	0.000	0.000	0.000	0.000
169	B	96	ALA	0	0.128	-0.090	14.246	-0.105	-0.105	0.000	0.000	0.000	0.000
170	B	96	ALA	0	-0.077	0.112	17.014	0.014	0.014	0.000	0.000	0.000	0.000
171	B	97	GLN	0	0.023	-0.106	16.758	-0.020	-0.020	0.000	0.000	0.000	0.000
172	B	97	GLN	0	-0.122	0.073	18.913	0.015	0.015	0.000	0.000	0.000	0.000
173	B	98	HIS	0	0.015	-0.089	16.896	0.022	0.022	0.000	0.000	0.000	0.000
174	B	98	HIS	0	-0.136	0.063	16.131	0.004	0.004	0.000	0.000	0.000	0.000
175	B	99	ALA	0	-0.047	-0.124	13.776	-0.050	-0.050	0.000	0.000	0.000	0.000
176	B	99	ALA	0	0.049	0.034	13.310	-0.043	-0.043	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(B:9:ASP)