FMO DATABASE

FMODB ID: Z683N

Calculation Name: 1OGH-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1OGH

Chain ID: A

ChEMBL ID:

UniProt ID: Q57872

Base Structure: X-ray

Registration Date: 2023-09-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
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	175
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1802348.840122
FMO2-HF: Nuclear repulsion	1733147.454473
FMO2-HF: Total energy	-69201.385649
FMO2-MP2: Total energy	-69406.541165

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(A:1:MET)

Summations of interaction energy for fragment #1(A:1:MET)

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.
-2.493	2.779	0.579	-2.33	-3.522	0.004

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.035 / q_NPA : 0.019

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].
3	A	3	LEU	0	-0.048	-0.018	3.801	-1.092	1.413	-0.019	-1.172	-1.314	0.006
4	A	4	SER	0	-0.034	-0.051	5.866	0.369	0.369	0.000	0.000	0.000	0.000
5	A	5	ASP	-1	-0.827	-0.921	8.019	-0.061	-0.061	0.000	0.000	0.000	0.000
6	A	6	LYS	1	0.943	0.946	10.052	-0.437	-0.437	0.000	0.000	0.000	0.000
7	A	7	ASP	-1	-0.794	-0.857	6.676	-0.343	-0.343	0.000	0.000	0.000	0.000
8	A	8	ILE	0	-0.035	-0.018	9.615	-0.094	-0.094	0.000	0.000	0.000	0.000
9	A	9	ILE	0	-0.001	-0.004	11.636	0.010	0.010	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.867	-0.912	12.067	-0.248	-0.248	0.000	0.000	0.000	0.000
11	A	11	TYR	0	-0.010	-0.019	7.662	-0.119	-0.119	0.000	0.000	0.000	0.000
12	A	12	VAL	0	0.037	0.036	13.159	0.023	0.023	0.000	0.000	0.000	0.000
13	A	13	THR	0	-0.062	-0.039	16.349	0.055	0.055	0.000	0.000	0.000	0.000
14	A	14	SER	0	-0.070	-0.052	15.306	0.013	0.013	0.000	0.000	0.000	0.000
15	A	15	LYS	1	0.795	0.891	17.885	0.293	0.293	0.000	0.000	0.000	0.000
16	A	16	ARG	1	0.923	0.980	10.433	0.772	0.772	0.000	0.000	0.000	0.000
17	A	17	ILE	0	0.015	0.011	10.424	-0.055	-0.055	0.000	0.000	0.000	0.000
18	A	18	ILE	0	-0.059	-0.019	15.010	0.084	0.084	0.000	0.000	0.000	0.000
19	A	19	ILE	0	0.027	0.007	15.448	-0.025	-0.025	0.000	0.000	0.000	0.000
20	A	20	LYS	1	0.862	0.983	19.724	0.301	0.301	0.000	0.000	0.000	0.000
21	A	21	PRO	0	0.054	0.004	23.572	-0.002	-0.002	0.000	0.000	0.000	0.000
22	A	22	PHE	0	0.054	0.014	17.237	-0.013	-0.013	0.000	0.000	0.000	0.000
23	A	23	ASN	0	0.011	0.004	21.518	0.027	0.027	0.000	0.000	0.000	0.000
24	A	24	LYS	1	1.016	1.007	19.640	0.063	0.063	0.000	0.000	0.000	0.000
25	A	25	ASP	-1	-0.896	-0.956	19.566	-0.080	-0.080	0.000	0.000	0.000	0.000
26	A	26	PHE	0	-0.103	-0.060	19.818	0.028	0.028	0.000	0.000	0.000	0.000
27	A	27	VAL	0	-0.021	0.012	14.013	-0.039	-0.039	0.000	0.000	0.000	0.000
28	A	28	GLY	0	0.021	0.019	15.119	0.053	0.053	0.000	0.000	0.000	0.000
29	A	29	PRO	0	0.003	-0.018	12.695	-0.042	-0.042	0.000	0.000	0.000	0.000
30	A	30	CYS	0	-0.007	-0.008	8.281	0.130	0.130	0.000	0.000	0.000	0.000
31	A	31	SER	0	0.002	0.015	10.007	-0.132	-0.132	0.000	0.000	0.000	0.000
32	A	32	TYR	0	0.012	0.019	12.459	0.071	0.071	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.765	-0.845	15.543	-0.164	-0.164	0.000	0.000	0.000	0.000
34	A	34	VAL	0	-0.028	-0.009	18.458	-0.008	-0.008	0.000	0.000	0.000	0.000
35	A	35	THR	0	-0.049	-0.067	20.912	0.033	0.033	0.000	0.000	0.000	0.000
36	A	36	LEU	0	-0.033	0.003	24.641	-0.016	-0.016	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.041	0.023	27.282	0.009	0.009	0.000	0.000	0.000	0.000
38	A	38	ASP	-1	-0.880	-0.951	29.557	-0.103	-0.103	0.000	0.000	0.000	0.000
39	A	39	GLU	-1	-0.834	-0.886	32.080	-0.111	-0.111	0.000	0.000	0.000	0.000
40	A	40	PHE	0	-0.001	-0.021	30.530	-0.009	-0.009	0.000	0.000	0.000	0.000
41	A	41	ILE	0	-0.033	-0.009	32.044	0.005	0.005	0.000	0.000	0.000	0.000
42	A	42	ILE	0	-0.007	-0.014	33.521	-0.001	-0.001	0.000	0.000	0.000	0.000
43	A	43	TYR	0	0.030	0.011	30.520	0.000	0.000	0.000	0.000	0.000	0.000
44	A	44	ASP	-1	-0.844	-0.915	36.872	-0.070	-0.070	0.000	0.000	0.000	0.000
45	A	45	ASP	-1	-0.806	-0.861	39.165	-0.075	-0.075	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-1.002	-0.999	40.250	-0.050	-0.050	0.000	0.000	0.000	0.000
47	A	47	VAL	0	-0.021	-0.022	38.598	0.001	0.001	0.000	0.000	0.000	0.000
48	A	48	TYR	0	-0.026	-0.008	33.354	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	49	ASP	-1	-0.764	-0.837	35.406	-0.081	-0.081	0.000	0.000	0.000	0.000
50	A	50	LEU	0	0.004	-0.015	29.344	-0.001	-0.001	0.000	0.000	0.000	0.000
51	A	51	SER	0	-0.095	-0.063	33.469	-0.003	-0.003	0.000	0.000	0.000	0.000
52	A	52	LYS	1	0.789	0.875	35.845	0.080	0.080	0.000	0.000	0.000	0.000
53	A	53	GLU	-1	-0.920	-0.954	35.798	-0.123	-0.123	0.000	0.000	0.000	0.000
54	A	54	LEU	0	-0.035	-0.016	32.684	0.005	0.005	0.000	0.000	0.000	0.000
55	A	55	ASN	0	-0.050	-0.036	36.712	-0.005	-0.005	0.000	0.000	0.000	0.000
56	A	56	TYR	0	-0.022	-0.017	35.746	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	57	LYS	1	0.868	0.923	37.922	0.071	0.071	0.000	0.000	0.000	0.000
58	A	58	ARG	1	0.903	0.936	32.795	0.121	0.121	0.000	0.000	0.000	0.000
59	A	59	ILE	0	-0.032	-0.010	36.679	0.006	0.006	0.000	0.000	0.000	0.000
60	A	60	LYS	1	0.806	0.882	35.539	0.100	0.100	0.000	0.000	0.000	0.000
61	A	61	ILE	0	-0.023	0.007	34.136	0.006	0.006	0.000	0.000	0.000	0.000
62	A	62	LYS	1	0.931	0.970	37.582	0.050	0.050	0.000	0.000	0.000	0.000
63	A	63	ASN	0	-0.062	-0.058	37.200	-0.004	-0.004	0.000	0.000	0.000	0.000
64	A	64	SER	0	0.003	-0.001	35.694	-0.002	-0.002	0.000	0.000	0.000	0.000
65	A	65	ILE	0	0.004	0.016	33.570	0.002	0.002	0.000	0.000	0.000	0.000
66	A	66	LEU	0	-0.007	0.001	35.469	0.001	0.001	0.000	0.000	0.000	0.000
67	A	67	VAL	0	0.016	0.005	31.914	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	68	CYS	0	-0.033	-0.017	35.024	0.006	0.006	0.000	0.000	0.000	0.000
69	A	69	PRO	0	0.010	0.003	34.867	-0.005	-0.005	0.000	0.000	0.000	0.000
70	A	70	LEU	0	0.039	0.009	35.426	0.000	0.000	0.000	0.000	0.000	0.000
71	A	71	ASN	0	-0.047	-0.014	37.228	0.003	0.003	0.000	0.000	0.000	0.000
72	A	72	TYR	0	0.011	-0.011	39.088	0.005	0.005	0.000	0.000	0.000	0.000
73	A	73	ASN	0	-0.055	-0.015	41.908	0.001	0.001	0.000	0.000	0.000	0.000
74	A	74	LEU	0	0.009	-0.002	40.804	0.002	0.002	0.000	0.000	0.000	0.000
75	A	75	THR	0	0.019	0.018	45.192	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	76	GLU	-1	-0.854	-0.949	47.936	-0.041	-0.041	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.981	-0.982	49.828	-0.022	-0.022	0.000	0.000	0.000	0.000
78	A	78	LYS	1	0.885	0.954	45.259	0.024	0.024	0.000	0.000	0.000	0.000
79	A	79	ILE	0	0.062	0.020	44.216	0.000	0.000	0.000	0.000	0.000	0.000
80	A	80	ASN	0	0.047	0.015	46.098	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	81	TYR	0	0.053	0.038	45.899	0.001	0.001	0.000	0.000	0.000	0.000
82	A	82	PHE	0	-0.003	-0.024	42.588	0.002	0.002	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.914	0.964	44.161	0.042	0.042	0.000	0.000	0.000	0.000
84	A	84	GLU	-1	-0.945	-0.972	45.229	-0.027	-0.027	0.000	0.000	0.000	0.000
85	A	85	LYS	1	0.822	0.932	45.011	0.019	0.019	0.000	0.000	0.000	0.000
86	A	86	TYR	0	-0.026	-0.037	40.833	0.003	0.003	0.000	0.000	0.000	0.000
87	A	87	ASN	0	-0.041	-0.003	41.447	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	88	VAL	0	-0.011	0.009	38.781	-0.003	-0.003	0.000	0.000	0.000	0.000
89	A	89	ASP	-1	-0.822	-0.912	39.934	-0.058	-0.058	0.000	0.000	0.000	0.000
90	A	90	TYR	0	0.010	-0.004	38.480	0.000	0.000	0.000	0.000	0.000	0.000
91	A	91	VAL	0	-0.015	-0.006	39.359	0.000	0.000	0.000	0.000	0.000	0.000
92	A	92	VAL	0	0.010	0.013	35.359	0.000	0.000	0.000	0.000	0.000	0.000
93	A	93	GLU	-1	-0.807	-0.915	37.305	-0.041	-0.041	0.000	0.000	0.000	0.000
94	A	94	GLY	0	-0.001	0.004	34.803	-0.002	-0.002	0.000	0.000	0.000	0.000
95	A	95	GLY	0	-0.035	-0.004	31.703	-0.002	-0.002	0.000	0.000	0.000	0.000
96	A	96	VAL	0	-0.015	-0.004	31.162	0.002	0.002	0.000	0.000	0.000	0.000
97	A	97	LEU	0	0.012	0.016	27.451	-0.007	-0.007	0.000	0.000	0.000	0.000
98	A	98	GLY	0	0.037	0.018	27.867	0.011	0.011	0.000	0.000	0.000	0.000
99	A	99	THR	0	-0.008	-0.017	25.692	-0.018	-0.018	0.000	0.000	0.000	0.000
100	A	100	THR	0	0.009	0.020	21.110	0.014	0.014	0.000	0.000	0.000	0.000
101	A	101	ASN	0	-0.024	-0.029	24.536	0.007	0.007	0.000	0.000	0.000	0.000
102	A	102	GLU	-1	-0.809	-0.873	21.292	-0.225	-0.225	0.000	0.000	0.000	0.000
103	A	103	TYR	0	-0.066	-0.052	22.511	-0.007	-0.007	0.000	0.000	0.000	0.000
104	A	104	ILE	0	0.013	-0.012	15.693	-0.005	-0.005	0.000	0.000	0.000	0.000
105	A	105	GLU	-1	-0.806	-0.888	18.037	-0.306	-0.306	0.000	0.000	0.000	0.000
106	A	106	LEU	0	-0.034	-0.004	12.101	-0.042	-0.042	0.000	0.000	0.000	0.000
107	A	107	PRO	0	0.015	0.020	11.525	0.078	0.078	0.000	0.000	0.000	0.000
108	A	108	ASN	0	0.043	0.006	12.818	-0.125	-0.125	0.000	0.000	0.000	0.000
109	A	109	ASP	-1	-0.768	-0.877	9.108	-1.177	-1.177	0.000	0.000	0.000	0.000
110	A	110	ILE	0	-0.038	-0.021	6.814	-0.488	-0.488	0.000	0.000	0.000	0.000
111	A	111	SER	0	0.024	0.022	7.502	0.380	0.380	0.000	0.000	0.000	0.000
112	A	112	ALA	0	-0.007	-0.017	8.262	-0.420	-0.420	0.000	0.000	0.000	0.000
113	A	113	GLN	0	-0.026	-0.016	10.191	0.053	0.053	0.000	0.000	0.000	0.000
114	A	114	TYR	0	-0.016	-0.025	11.887	0.017	0.017	0.000	0.000	0.000	0.000
115	A	115	GLN	0	-0.001	0.005	13.604	0.062	0.062	0.000	0.000	0.000	0.000
116	A	116	GLY	0	0.037	0.023	16.524	0.005	0.005	0.000	0.000	0.000	0.000
117	A	117	ARG	1	0.828	0.898	19.475	0.124	0.124	0.000	0.000	0.000	0.000
118	A	118	SER	0	0.043	0.005	19.198	0.015	0.015	0.000	0.000	0.000	0.000
119	A	119	SER	0	-0.058	-0.036	21.581	0.009	0.009	0.000	0.000	0.000	0.000
120	A	120	LEU	0	0.023	0.019	24.497	0.007	0.007	0.000	0.000	0.000	0.000
121	A	121	GLY	0	0.064	0.039	23.695	0.003	0.003	0.000	0.000	0.000	0.000
122	A	122	ARG	1	0.887	0.934	21.900	-0.033	-0.033	0.000	0.000	0.000	0.000
123	A	123	VAL	0	-0.026	0.001	26.808	0.007	0.007	0.000	0.000	0.000	0.000
124	A	124	PHE	0	-0.015	-0.007	27.850	-0.003	-0.003	0.000	0.000	0.000	0.000
125	A	125	LEU	0	0.006	0.023	26.874	-0.004	-0.004	0.000	0.000	0.000	0.000
126	A	126	THR	0	-0.022	-0.004	24.073	-0.007	-0.007	0.000	0.000	0.000	0.000
127	A	127	SER	0	0.065	0.019	22.849	-0.004	-0.004	0.000	0.000	0.000	0.000
128	A	128	HIS	0	-0.012	-0.018	18.234	-0.052	-0.052	0.000	0.000	0.000	0.000
129	A	129	GLN	0	-0.039	-0.023	21.894	0.027	0.027	0.000	0.000	0.000	0.000
130	A	130	THR	0	0.005	0.013	18.997	-0.004	-0.004	0.000	0.000	0.000	0.000
131	A	131	ALA	0	-0.005	-0.020	14.388	-0.004	-0.004	0.000	0.000	0.000	0.000
132	A	132	GLY	0	0.074	0.034	14.674	-0.041	-0.041	0.000	0.000	0.000	0.000
133	A	133	TRP	0	-0.066	-0.022	6.552	-0.116	-0.116	0.000	0.000	0.000	0.000
134	A	134	ILE	0	-0.016	0.007	12.617	0.098	0.098	0.000	0.000	0.000	0.000
135	A	135	ASP	-1	-0.856	-0.915	12.611	-0.677	-0.677	0.000	0.000	0.000	0.000
136	A	136	ALA	0	0.008	-0.013	11.133	-0.015	-0.015	0.000	0.000	0.000	0.000
137	A	137	GLY	0	-0.007	-0.002	12.943	0.099	0.099	0.000	0.000	0.000	0.000
138	A	138	PHE	0	-0.032	0.000	15.782	0.069	0.069	0.000	0.000	0.000	0.000
139	A	139	LYS	1	0.860	0.910	17.649	0.332	0.332	0.000	0.000	0.000	0.000
140	A	140	GLY	0	0.043	0.026	20.450	0.031	0.031	0.000	0.000	0.000	0.000
141	A	141	LYS	1	0.800	0.905	21.043	0.179	0.179	0.000	0.000	0.000	0.000
142	A	142	ILE	0	0.015	0.007	18.333	-0.011	-0.011	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.025	0.013	21.585	0.031	0.031	0.000	0.000	0.000	0.000
144	A	144	LEU	0	-0.066	-0.028	22.192	-0.010	-0.010	0.000	0.000	0.000	0.000
145	A	145	GLU	-1	-0.801	-0.906	22.725	-0.184	-0.184	0.000	0.000	0.000	0.000
146	A	146	ILE	0	-0.057	-0.029	25.631	0.003	0.003	0.000	0.000	0.000	0.000
147	A	147	VAL	0	0.040	0.023	27.964	0.007	0.007	0.000	0.000	0.000	0.000
148	A	148	ALA	0	0.004	0.017	28.835	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	149	PHE	0	0.004	-0.027	26.890	0.003	0.003	0.000	0.000	0.000	0.000
150	A	150	ASP	-1	-0.827	-0.890	31.873	-0.006	-0.006	0.000	0.000	0.000	0.000
151	A	151	LYS	1	0.801	0.885	34.343	0.011	0.011	0.000	0.000	0.000	0.000
152	A	152	PRO	0	-0.004	-0.014	34.860	-0.004	-0.004	0.000	0.000	0.000	0.000
153	A	153	VAL	0	-0.014	0.011	30.806	0.004	0.004	0.000	0.000	0.000	0.000
154	A	154	ILE	0	-0.024	-0.002	34.171	-0.005	-0.005	0.000	0.000	0.000	0.000
155	A	155	LEU	0	-0.024	0.000	29.009	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	156	TYR	0	0.032	-0.007	31.583	0.003	0.003	0.000	0.000	0.000	0.000
157	A	157	LYS	1	0.911	0.942	31.012	0.077	0.077	0.000	0.000	0.000	0.000
158	A	158	ASN	0	-0.033	-0.025	28.923	0.001	0.001	0.000	0.000	0.000	0.000
159	A	159	GLN	0	0.009	0.032	27.060	0.004	0.004	0.000	0.000	0.000	0.000
160	A	160	ARG	1	0.854	0.902	21.473	0.095	0.095	0.000	0.000	0.000	0.000
161	A	161	ILE	0	-0.006	-0.008	22.683	0.019	0.019	0.000	0.000	0.000	0.000
162	A	162	GLY	0	0.033	0.014	20.003	0.015	0.015	0.000	0.000	0.000	0.000
163	A	163	GLN	0	-0.031	-0.015	15.409	0.038	0.038	0.000	0.000	0.000	0.000
164	A	164	LEU	0	0.002	0.011	13.709	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	165	ILE	0	0.009	0.004	7.882	0.047	0.047	0.000	0.000	0.000	0.000
166	A	166	PHE	0	0.039	0.011	8.345	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	167	SER	0	-0.005	-0.003	2.880	-1.170	-0.439	0.067	-0.332	-0.466	0.000
168	A	168	LYS	1	0.835	0.900	2.410	2.688	4.282	0.527	-0.614	-1.507	-0.001
169	A	169	LEU	0	-0.019	0.003	3.631	-0.880	-0.438	0.004	-0.212	-0.235	-0.001
170	A	170	LEU	0	-0.024	-0.012	6.126	0.033	0.033	0.000	0.000	0.000	0.000
171	A	171	SER	0	-0.029	-0.024	7.152	0.168	0.168	0.000	0.000	0.000	0.000
172	A	172	PRO	0	-0.052	-0.019	10.194	-0.127	-0.127	0.000	0.000	0.000	0.000
173	A	173	ALA	0	0.045	0.019	12.196	0.077	0.077	0.000	0.000	0.000	0.000
174	A	174	ASP	-1	-0.919	-0.964	14.033	-0.324	-0.324	0.000	0.000	0.000	0.000
175	A	175	VAL	0	-0.059	-0.022	16.490	-0.004	-0.004	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)