FMO DATABASE

FMODB ID: R92R8

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	OptAll
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	-1802388.730588
FMO2-HF: Nuclear repulsion	1733186.969824
FMO2-HF: Total energy	-69201.760765
FMO2-MP2: Total energy	-69406.985244

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.
-4.197	1.084	2.118	-3.015	-4.386	-0.002

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 : 0.024 / q_NPA : 0.013

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	-0.051	-0.013	3.839	-0.727	1.287	-0.008	-0.952	-1.055	0.004
4	A	4	SER	0	-0.020	-0.040	5.898	0.440	0.440	0.000	0.000	0.000	0.000
5	A	5	ASP	-1	-0.809	-0.904	8.176	-0.099	-0.099	0.000	0.000	0.000	0.000
6	A	6	LYS	1	0.874	0.899	9.978	-0.232	-0.232	0.000	0.000	0.000	0.000
7	A	7	ASP	-1	-0.791	-0.850	6.914	-0.396	-0.396	0.000	0.000	0.000	0.000
8	A	8	ILE	0	-0.024	-0.012	9.507	-0.108	-0.108	0.000	0.000	0.000	0.000
9	A	9	ILE	0	-0.005	0.000	11.439	0.026	0.026	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.842	-0.906	12.142	-0.284	-0.284	0.000	0.000	0.000	0.000
11	A	11	TYR	0	-0.018	0.001	7.630	-0.096	-0.096	0.000	0.000	0.000	0.000
12	A	12	VAL	0	0.035	0.036	12.988	0.032	0.032	0.000	0.000	0.000	0.000
13	A	13	THR	0	-0.065	-0.038	16.211	0.067	0.067	0.000	0.000	0.000	0.000
14	A	14	SER	0	-0.075	-0.071	14.905	0.015	0.015	0.000	0.000	0.000	0.000
15	A	15	LYS	1	0.795	0.887	17.524	0.313	0.313	0.000	0.000	0.000	0.000
16	A	16	ARG	1	0.895	0.961	10.472	0.758	0.758	0.000	0.000	0.000	0.000
17	A	17	ILE	0	0.017	0.014	10.394	-0.049	-0.049	0.000	0.000	0.000	0.000
18	A	18	ILE	0	-0.059	-0.025	14.923	0.086	0.086	0.000	0.000	0.000	0.000
19	A	19	ILE	0	0.010	0.001	15.775	-0.025	-0.025	0.000	0.000	0.000	0.000
20	A	20	LYS	1	0.818	0.939	19.776	0.303	0.303	0.000	0.000	0.000	0.000
21	A	21	PRO	0	0.029	0.007	23.622	0.003	0.003	0.000	0.000	0.000	0.000
22	A	22	PHE	0	0.038	0.002	17.331	-0.018	-0.018	0.000	0.000	0.000	0.000
23	A	23	ASN	0	-0.005	-0.021	21.409	0.025	0.025	0.000	0.000	0.000	0.000
24	A	24	LYS	1	1.020	1.018	19.567	0.078	0.078	0.000	0.000	0.000	0.000
25	A	25	ASP	-1	-0.867	-0.923	19.535	-0.108	-0.108	0.000	0.000	0.000	0.000
26	A	26	PHE	0	-0.075	-0.036	19.893	0.030	0.030	0.000	0.000	0.000	0.000
27	A	27	VAL	0	-0.016	0.011	14.071	-0.031	-0.031	0.000	0.000	0.000	0.000
28	A	28	GLY	0	0.019	0.017	14.757	0.056	0.056	0.000	0.000	0.000	0.000
29	A	29	PRO	0	-0.009	-0.027	12.792	-0.061	-0.061	0.000	0.000	0.000	0.000
30	A	30	CYS	0	-0.024	-0.007	8.267	0.131	0.131	0.000	0.000	0.000	0.000
31	A	31	SER	0	0.007	0.013	9.818	-0.143	-0.143	0.000	0.000	0.000	0.000
32	A	32	TYR	0	0.020	0.013	12.388	0.051	0.051	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.751	-0.833	15.426	-0.169	-0.169	0.000	0.000	0.000	0.000
34	A	34	VAL	0	-0.008	-0.003	18.408	-0.015	-0.015	0.000	0.000	0.000	0.000
35	A	35	THR	0	-0.041	-0.058	20.913	0.033	0.033	0.000	0.000	0.000	0.000
36	A	36	LEU	0	-0.040	-0.006	24.638	-0.014	-0.014	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.034	0.024	27.163	0.009	0.009	0.000	0.000	0.000	0.000
38	A	38	ASP	-1	-0.847	-0.925	29.049	-0.098	-0.098	0.000	0.000	0.000	0.000
39	A	39	GLU	-1	-0.823	-0.884	31.635	-0.103	-0.103	0.000	0.000	0.000	0.000
40	A	40	PHE	0	0.000	-0.013	30.335	-0.009	-0.009	0.000	0.000	0.000	0.000
41	A	41	ILE	0	-0.025	-0.010	31.782	0.004	0.004	0.000	0.000	0.000	0.000
42	A	42	ILE	0	0.004	0.005	33.047	-0.001	-0.001	0.000	0.000	0.000	0.000
43	A	43	TYR	0	0.038	0.012	30.497	0.000	0.000	0.000	0.000	0.000	0.000
44	A	44	ASP	-1	-0.836	-0.917	36.924	-0.059	-0.059	0.000	0.000	0.000	0.000
45	A	45	ASP	-1	-0.812	-0.867	38.579	-0.061	-0.061	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.976	-0.984	39.778	-0.038	-0.038	0.000	0.000	0.000	0.000
47	A	47	VAL	0	-0.013	-0.015	38.114	0.001	0.001	0.000	0.000	0.000	0.000
48	A	48	TYR	0	-0.014	-0.008	33.031	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	49	ASP	-1	-0.766	-0.831	34.420	-0.062	-0.062	0.000	0.000	0.000	0.000
50	A	50	LEU	0	0.001	-0.015	29.167	-0.003	-0.003	0.000	0.000	0.000	0.000
51	A	51	SER	0	-0.111	-0.067	32.990	-0.004	-0.004	0.000	0.000	0.000	0.000
52	A	52	LYS	1	0.775	0.863	35.479	0.063	0.063	0.000	0.000	0.000	0.000
53	A	53	GLU	-1	-0.905	-0.947	35.398	-0.104	-0.104	0.000	0.000	0.000	0.000
54	A	54	LEU	0	-0.035	-0.012	32.572	0.004	0.004	0.000	0.000	0.000	0.000
55	A	55	ASN	0	-0.066	-0.053	36.582	-0.005	-0.005	0.000	0.000	0.000	0.000
56	A	56	TYR	0	-0.035	-0.024	35.278	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	57	LYS	1	0.850	0.921	37.973	0.063	0.063	0.000	0.000	0.000	0.000
58	A	58	ARG	1	0.878	0.921	32.595	0.112	0.112	0.000	0.000	0.000	0.000
59	A	59	ILE	0	-0.008	0.003	36.295	0.006	0.006	0.000	0.000	0.000	0.000
60	A	60	LYS	1	0.801	0.867	34.964	0.096	0.096	0.000	0.000	0.000	0.000
61	A	61	ILE	0	-0.017	0.019	33.722	0.006	0.006	0.000	0.000	0.000	0.000
62	A	62	LYS	1	0.925	0.968	37.218	0.048	0.048	0.000	0.000	0.000	0.000
63	A	63	ASN	0	-0.104	-0.090	37.445	-0.003	-0.003	0.000	0.000	0.000	0.000
64	A	64	SER	0	0.015	-0.003	35.601	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	65	ILE	0	-0.005	0.013	33.651	0.002	0.002	0.000	0.000	0.000	0.000
66	A	66	LEU	0	-0.006	0.003	35.478	0.000	0.000	0.000	0.000	0.000	0.000
67	A	67	VAL	0	0.020	0.005	31.677	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	68	CYS	0	-0.025	-0.008	34.728	0.005	0.005	0.000	0.000	0.000	0.000
69	A	69	PRO	0	0.013	0.011	34.530	-0.004	-0.004	0.000	0.000	0.000	0.000
70	A	70	LEU	0	0.037	0.012	35.375	0.000	0.000	0.000	0.000	0.000	0.000
71	A	71	ASN	0	-0.063	-0.025	37.200	0.003	0.003	0.000	0.000	0.000	0.000
72	A	72	TYR	0	-0.001	-0.019	38.607	0.004	0.004	0.000	0.000	0.000	0.000
73	A	73	ASN	0	-0.050	-0.012	41.819	0.001	0.001	0.000	0.000	0.000	0.000
74	A	74	LEU	0	0.008	-0.005	40.502	0.002	0.002	0.000	0.000	0.000	0.000
75	A	75	THR	0	0.037	0.026	44.906	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	76	GLU	-1	-0.862	-0.955	47.833	-0.036	-0.036	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.973	-0.968	49.481	-0.019	-0.019	0.000	0.000	0.000	0.000
78	A	78	LYS	1	0.879	0.950	45.048	0.020	0.020	0.000	0.000	0.000	0.000
79	A	79	ILE	0	0.034	0.010	44.009	0.000	0.000	0.000	0.000	0.000	0.000
80	A	80	ASN	0	0.057	0.029	45.610	-0.004	-0.004	0.000	0.000	0.000	0.000
81	A	81	TYR	0	0.069	0.039	45.578	0.001	0.001	0.000	0.000	0.000	0.000
82	A	82	PHE	0	-0.023	-0.030	42.300	0.001	0.001	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.904	0.950	43.728	0.038	0.038	0.000	0.000	0.000	0.000
84	A	84	GLU	-1	-0.923	-0.966	44.825	-0.027	-0.027	0.000	0.000	0.000	0.000
85	A	85	LYS	1	0.828	0.921	44.843	0.017	0.017	0.000	0.000	0.000	0.000
86	A	86	TYR	0	-0.018	-0.023	40.665	0.003	0.003	0.000	0.000	0.000	0.000
87	A	87	ASN	0	-0.046	-0.005	41.198	-0.003	-0.003	0.000	0.000	0.000	0.000
88	A	88	VAL	0	-0.029	-0.002	38.631	-0.003	-0.003	0.000	0.000	0.000	0.000
89	A	89	ASP	-1	-0.753	-0.863	39.470	-0.057	-0.057	0.000	0.000	0.000	0.000
90	A	90	TYR	0	-0.001	-0.009	38.360	0.000	0.000	0.000	0.000	0.000	0.000
91	A	91	VAL	0	-0.005	-0.008	39.299	0.000	0.000	0.000	0.000	0.000	0.000
92	A	92	VAL	0	0.001	0.011	35.117	0.000	0.000	0.000	0.000	0.000	0.000
93	A	93	GLU	-1	-0.788	-0.907	37.194	-0.031	-0.031	0.000	0.000	0.000	0.000
94	A	94	GLY	0	-0.002	0.005	35.013	-0.002	-0.002	0.000	0.000	0.000	0.000
95	A	95	GLY	0	-0.014	-0.007	31.826	-0.001	-0.001	0.000	0.000	0.000	0.000
96	A	96	VAL	0	-0.047	-0.019	30.900	0.002	0.002	0.000	0.000	0.000	0.000
97	A	97	LEU	0	0.026	0.026	26.942	-0.007	-0.007	0.000	0.000	0.000	0.000
98	A	98	GLY	0	0.047	0.017	27.550	0.009	0.009	0.000	0.000	0.000	0.000
99	A	99	THR	0	-0.015	-0.019	25.380	-0.017	-0.017	0.000	0.000	0.000	0.000
100	A	100	THR	0	0.027	0.018	20.672	0.014	0.014	0.000	0.000	0.000	0.000
101	A	101	ASN	0	-0.036	-0.032	24.099	0.009	0.009	0.000	0.000	0.000	0.000
102	A	102	GLU	-1	-0.804	-0.878	21.140	-0.218	-0.218	0.000	0.000	0.000	0.000
103	A	103	TYR	0	-0.025	-0.014	22.023	-0.009	-0.009	0.000	0.000	0.000	0.000
104	A	104	ILE	0	-0.013	-0.018	15.622	-0.008	-0.008	0.000	0.000	0.000	0.000
105	A	105	GLU	-1	-0.760	-0.878	17.825	-0.284	-0.284	0.000	0.000	0.000	0.000
106	A	106	LEU	0	-0.012	0.009	11.794	-0.053	-0.053	0.000	0.000	0.000	0.000
107	A	107	PRO	0	0.007	0.013	11.100	0.090	0.090	0.000	0.000	0.000	0.000
108	A	108	ASN	0	0.037	0.005	12.481	-0.117	-0.117	0.000	0.000	0.000	0.000
109	A	109	ASP	-1	-0.777	-0.884	9.203	-1.119	-1.119	0.000	0.000	0.000	0.000
110	A	110	ILE	0	-0.059	-0.035	6.472	-0.470	-0.470	0.000	0.000	0.000	0.000
111	A	111	SER	0	0.008	0.009	7.192	0.405	0.405	0.000	0.000	0.000	0.000
112	A	112	ALA	0	-0.006	-0.023	8.055	-0.445	-0.445	0.000	0.000	0.000	0.000
113	A	113	GLN	0	-0.024	-0.007	9.917	0.127	0.127	0.000	0.000	0.000	0.000
114	A	114	TYR	0	-0.003	-0.021	11.492	0.011	0.011	0.000	0.000	0.000	0.000
115	A	115	GLN	0	0.008	0.009	13.482	0.051	0.051	0.000	0.000	0.000	0.000
116	A	116	GLY	0	0.069	0.041	16.297	0.005	0.005	0.000	0.000	0.000	0.000
117	A	117	ARG	1	0.804	0.881	19.369	0.132	0.132	0.000	0.000	0.000	0.000
118	A	118	SER	0	0.042	0.003	19.254	0.013	0.013	0.000	0.000	0.000	0.000
119	A	119	SER	0	-0.058	-0.032	21.797	0.011	0.011	0.000	0.000	0.000	0.000
120	A	120	LEU	0	0.029	0.020	24.747	0.007	0.007	0.000	0.000	0.000	0.000
121	A	121	GLY	0	0.077	0.044	24.004	0.004	0.004	0.000	0.000	0.000	0.000
122	A	122	ARG	1	0.878	0.932	22.377	-0.034	-0.034	0.000	0.000	0.000	0.000
123	A	123	VAL	0	-0.027	-0.002	27.177	0.006	0.006	0.000	0.000	0.000	0.000
124	A	124	PHE	0	-0.004	0.000	28.140	-0.002	-0.002	0.000	0.000	0.000	0.000
125	A	125	LEU	0	0.007	0.018	27.067	-0.004	-0.004	0.000	0.000	0.000	0.000
126	A	126	THR	0	-0.025	-0.018	24.193	-0.004	-0.004	0.000	0.000	0.000	0.000
127	A	127	SER	0	0.037	0.002	22.625	-0.003	-0.003	0.000	0.000	0.000	0.000
128	A	128	HIS	0	-0.044	-0.037	18.497	-0.050	-0.050	0.000	0.000	0.000	0.000
129	A	129	GLN	0	-0.058	-0.036	21.821	0.028	0.028	0.000	0.000	0.000	0.000
130	A	130	THR	0	-0.007	0.006	19.008	0.001	0.001	0.000	0.000	0.000	0.000
131	A	131	ALA	0	-0.016	-0.027	14.609	-0.003	-0.003	0.000	0.000	0.000	0.000
132	A	132	GLY	0	0.063	0.032	14.344	-0.040	-0.040	0.000	0.000	0.000	0.000
133	A	133	TRP	0	-0.054	-0.017	6.224	-0.109	-0.109	0.000	0.000	0.000	0.000
134	A	134	ILE	0	-0.023	0.006	12.090	0.087	0.087	0.000	0.000	0.000	0.000
135	A	135	ASP	-1	-0.851	-0.916	12.013	-0.621	-0.621	0.000	0.000	0.000	0.000
136	A	136	ALA	0	0.014	0.001	10.817	-0.029	-0.029	0.000	0.000	0.000	0.000
137	A	137	GLY	0	0.003	0.018	12.608	0.108	0.108	0.000	0.000	0.000	0.000
138	A	138	PHE	0	-0.028	0.001	15.387	0.066	0.066	0.000	0.000	0.000	0.000
139	A	139	LYS	1	0.871	0.909	17.268	0.321	0.321	0.000	0.000	0.000	0.000
140	A	140	GLY	0	0.045	0.032	20.089	0.031	0.031	0.000	0.000	0.000	0.000
141	A	141	LYS	1	0.809	0.908	21.001	0.170	0.170	0.000	0.000	0.000	0.000
142	A	142	ILE	0	0.021	0.018	17.804	-0.005	-0.005	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.013	0.005	20.991	0.029	0.029	0.000	0.000	0.000	0.000
144	A	144	LEU	0	-0.055	-0.024	21.918	-0.012	-0.012	0.000	0.000	0.000	0.000
145	A	145	GLU	-1	-0.732	-0.866	22.019	-0.150	-0.150	0.000	0.000	0.000	0.000
146	A	146	ILE	0	-0.053	-0.015	25.321	0.006	0.006	0.000	0.000	0.000	0.000
147	A	147	VAL	0	0.049	0.032	27.623	0.006	0.006	0.000	0.000	0.000	0.000
148	A	148	ALA	0	0.002	0.018	28.708	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	149	PHE	0	-0.004	-0.018	27.059	0.004	0.004	0.000	0.000	0.000	0.000
150	A	150	ASP	-1	-0.818	-0.881	31.949	0.001	0.001	0.000	0.000	0.000	0.000
151	A	151	LYS	1	0.811	0.881	34.551	0.005	0.005	0.000	0.000	0.000	0.000
152	A	152	PRO	0	-0.001	-0.010	34.907	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	153	VAL	0	-0.025	0.007	30.923	0.003	0.003	0.000	0.000	0.000	0.000
154	A	154	ILE	0	-0.034	-0.011	34.195	-0.004	-0.004	0.000	0.000	0.000	0.000
155	A	155	LEU	0	-0.027	-0.006	28.993	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	156	TYR	0	0.028	-0.010	31.503	0.004	0.004	0.000	0.000	0.000	0.000
157	A	157	LYS	1	0.838	0.908	31.030	0.078	0.078	0.000	0.000	0.000	0.000
158	A	158	ASN	0	-0.017	-0.013	28.837	0.000	0.000	0.000	0.000	0.000	0.000
159	A	159	GLN	0	0.030	0.042	27.209	0.003	0.003	0.000	0.000	0.000	0.000
160	A	160	ARG	1	0.823	0.883	21.468	0.111	0.111	0.000	0.000	0.000	0.000
161	A	161	ILE	0	-0.026	-0.023	22.799	0.019	0.019	0.000	0.000	0.000	0.000
162	A	162	GLY	0	0.019	0.008	19.852	0.014	0.014	0.000	0.000	0.000	0.000
163	A	163	GLN	0	-0.053	-0.031	15.280	0.026	0.026	0.000	0.000	0.000	0.000
164	A	164	LEU	0	0.009	0.013	13.515	0.001	0.001	0.000	0.000	0.000	0.000
165	A	165	ILE	0	0.010	-0.001	7.804	0.047	0.047	0.000	0.000	0.000	0.000
166	A	166	PHE	0	0.042	0.016	8.458	-0.056	-0.056	0.000	0.000	0.000	0.000
167	A	167	SER	0	0.020	0.002	2.838	-3.023	-1.887	0.278	-0.639	-0.776	-0.005
168	A	168	LYS	1	0.809	0.902	2.026	2.513	3.894	1.821	-1.052	-2.149	0.002
169	A	169	LEU	0	0.006	0.019	3.339	-1.328	-0.578	0.027	-0.372	-0.406	-0.003
170	A	170	LEU	0	-0.017	-0.012	5.511	0.032	0.032	0.000	0.000	0.000	0.000
171	A	171	SER	0	-0.030	-0.029	6.638	0.115	0.115	0.000	0.000	0.000	0.000
172	A	172	PRO	0	-0.050	-0.018	9.682	-0.130	-0.130	0.000	0.000	0.000	0.000
173	A	173	ALA	0	0.053	0.023	11.739	0.083	0.083	0.000	0.000	0.000	0.000
174	A	174	ASP	-1	-0.916	-0.952	13.648	-0.267	-0.267	0.000	0.000	0.000	0.000
175	A	175	VAL	0	-0.075	-0.054	15.643	-0.011	-0.011	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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