FMO DATABASE

FMODB ID: JLQM9

Calculation Name: 5U50-C-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5U50

Chain ID: C

ChEMBL ID:

UniProt ID: G9I821

Base Structure: X-ray

Registration Date: 2023-06-21

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	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	175
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1965425.547843
FMO2-HF: Nuclear repulsion	1893197.285185
FMO2-HF: Total energy	-72228.262658
FMO2-MP2: Total energy	-72439.57597

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(C:8:PRO)

Summations of interaction energy for fragment #1(C:8:PRO)

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.
-18.04	-10.813	7.034	-5.51	-8.75	-0.043

Interaction energy analysis for fragmet #1(C:8:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.011 / q_NPA : -0.025

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	C	10	ASP	-1	-0.862	-0.922	2.841	-2.807	0.151	0.064	-1.283	-1.738	-0.003
4	C	11	ARG	1	0.908	0.977	2.740	-4.843	-3.366	0.434	-0.530	-1.382	0.001
5	C	12	ILE	0	-0.007	-0.009	4.059	-0.886	-0.337	0.001	-0.201	-0.348	0.000
6	C	13	ASN	0	0.008	-0.006	6.028	0.219	0.219	0.000	0.000	0.000	0.000
7	C	14	ASP	-1	-0.880	-0.937	7.597	0.778	0.778	0.000	0.000	0.000	0.000
8	C	15	PHE	0	-0.089	-0.035	8.284	0.005	0.005	0.000	0.000	0.000	0.000
9	C	16	LEU	0	-0.047	-0.036	9.892	-0.068	-0.068	0.000	0.000	0.000	0.000
10	C	17	ASP	-1	-0.870	-0.930	12.020	-0.042	-0.042	0.000	0.000	0.000	0.000
11	C	18	HIS	0	-0.087	-0.061	13.951	0.018	0.018	0.000	0.000	0.000	0.000
12	C	19	LEU	0	0.046	0.056	13.427	0.025	0.025	0.000	0.000	0.000	0.000
13	C	20	ASN	0	-0.002	-0.024	16.461	-0.048	-0.048	0.000	0.000	0.000	0.000
14	C	21	LEU	0	0.018	0.007	19.039	0.022	0.022	0.000	0.000	0.000	0.000
15	C	22	GLY	0	-0.040	-0.002	21.605	-0.008	-0.008	0.000	0.000	0.000	0.000
16	C	23	GLU	-1	-0.977	-0.982	25.010	0.063	0.063	0.000	0.000	0.000	0.000
17	C	24	ARG	1	0.883	0.942	23.644	-0.070	-0.070	0.000	0.000	0.000	0.000
18	C	25	THR	0	0.003	-0.003	19.109	0.023	0.023	0.000	0.000	0.000	0.000
19	C	26	ILE	0	-0.026	-0.011	15.624	-0.027	-0.027	0.000	0.000	0.000	0.000
20	C	27	LYS	1	0.911	0.964	15.859	0.084	0.084	0.000	0.000	0.000	0.000
21	C	28	GLY	0	0.013	-0.002	12.802	-0.016	-0.016	0.000	0.000	0.000	0.000
22	C	29	CYS	0	-0.033	-0.012	11.359	0.010	0.010	0.000	0.000	0.000	0.000
23	C	30	LEU	0	-0.021	-0.012	6.284	-0.010	-0.010	0.000	0.000	0.000	0.000
24	C	31	GLU	-1	-0.877	-0.928	9.455	-0.588	-0.588	0.000	0.000	0.000	0.000
25	C	32	ALA	0	0.008	-0.001	8.312	0.011	0.011	0.000	0.000	0.000	0.000
26	C	33	TYR	0	-0.005	-0.008	10.353	0.109	0.109	0.000	0.000	0.000	0.000
27	C	34	SER	0	-0.018	-0.022	13.801	-0.021	-0.021	0.000	0.000	0.000	0.000
28	C	35	CYS	0	-0.058	-0.013	15.726	0.040	0.040	0.000	0.000	0.000	0.000
29	C	36	LYS	1	0.981	0.998	19.285	0.318	0.318	0.000	0.000	0.000	0.000
30	C	37	HIS	0	0.020	0.004	22.070	0.005	0.005	0.000	0.000	0.000	0.000
31	C	38	THR	0	-0.032	-0.034	25.461	0.015	0.015	0.000	0.000	0.000	0.000
32	C	39	GLY	0	0.020	0.018	26.287	-0.010	-0.010	0.000	0.000	0.000	0.000
33	C	40	THR	0	0.063	0.010	26.205	0.004	0.004	0.000	0.000	0.000	0.000
34	C	41	ASP	-1	-0.735	-0.845	22.513	-0.266	-0.266	0.000	0.000	0.000	0.000
35	C	42	LYS	1	0.934	1.011	26.108	0.160	0.160	0.000	0.000	0.000	0.000
36	C	43	ARG	1	0.967	0.979	28.597	0.130	0.130	0.000	0.000	0.000	0.000
37	C	44	LEU	0	0.038	0.022	26.282	0.008	0.008	0.000	0.000	0.000	0.000
38	C	45	SER	0	0.011	-0.029	26.631	-0.001	-0.001	0.000	0.000	0.000	0.000
39	C	46	ILE	0	-0.039	-0.019	28.659	0.006	0.006	0.000	0.000	0.000	0.000
40	C	47	SER	0	0.021	0.006	32.204	0.009	0.009	0.000	0.000	0.000	0.000
41	C	48	LEU	0	-0.011	-0.005	27.002	0.005	0.005	0.000	0.000	0.000	0.000
42	C	49	GLU	-1	-0.988	-0.996	31.015	-0.154	-0.154	0.000	0.000	0.000	0.000
43	C	50	HIS	0	-0.083	-0.049	32.438	0.012	0.012	0.000	0.000	0.000	0.000
44	C	51	GLU	-1	-0.861	-0.890	33.698	-0.118	-0.118	0.000	0.000	0.000	0.000
45	C	52	ILE	0	-0.071	-0.047	32.789	-0.001	-0.001	0.000	0.000	0.000	0.000
46	C	71	LEU	0	-0.019	-0.013	29.329	0.005	0.005	0.000	0.000	0.000	0.000
47	C	72	LEU	0	-0.034	0.020	25.216	-0.008	-0.008	0.000	0.000	0.000	0.000
48	C	73	SER	0	0.049	0.020	29.134	0.009	0.009	0.000	0.000	0.000	0.000
49	C	74	ARG	1	0.971	0.956	29.978	0.092	0.092	0.000	0.000	0.000	0.000
50	C	75	SER	0	-0.016	-0.002	27.948	0.000	0.000	0.000	0.000	0.000	0.000
51	C	76	SER	0	0.087	0.018	25.135	-0.006	-0.006	0.000	0.000	0.000	0.000
52	C	77	ARG	1	0.960	0.990	26.557	0.138	0.138	0.000	0.000	0.000	0.000
53	C	78	LYS	1	0.889	0.928	26.226	0.188	0.188	0.000	0.000	0.000	0.000
54	C	79	ALA	0	0.035	0.016	22.500	-0.011	-0.011	0.000	0.000	0.000	0.000
55	C	80	LEU	0	0.036	0.021	23.318	-0.017	-0.017	0.000	0.000	0.000	0.000
56	C	81	ILE	0	-0.010	0.008	24.818	-0.007	-0.007	0.000	0.000	0.000	0.000
57	C	82	TYR	0	0.014	-0.013	20.512	-0.007	-0.007	0.000	0.000	0.000	0.000
58	C	83	LEU	0	0.022	0.044	19.465	-0.021	-0.021	0.000	0.000	0.000	0.000
59	C	84	VAL	0	0.054	0.019	21.587	-0.006	-0.006	0.000	0.000	0.000	0.000
60	C	85	LEU	0	-0.046	-0.017	22.148	0.001	0.001	0.000	0.000	0.000	0.000
61	C	86	THR	0	-0.038	-0.043	16.616	-0.019	-0.019	0.000	0.000	0.000	0.000
62	C	87	LEU	0	0.039	0.024	19.610	-0.009	-0.009	0.000	0.000	0.000	0.000
63	C	88	TYR	0	-0.008	-0.001	21.819	0.008	0.008	0.000	0.000	0.000	0.000
64	C	89	HIS	1	0.742	0.850	18.963	0.311	0.311	0.000	0.000	0.000	0.000
65	C	90	MET	0	-0.026	0.009	16.453	-0.005	-0.005	0.000	0.000	0.000	0.000
66	C	91	TYR	0	0.023	0.002	20.011	0.014	0.014	0.000	0.000	0.000	0.000
67	C	92	PRO	0	-0.006	-0.001	23.206	0.006	0.006	0.000	0.000	0.000	0.000
68	C	93	ASP	-1	-0.929	-0.962	25.859	-0.116	-0.116	0.000	0.000	0.000	0.000
69	C	94	TYR	0	-0.048	-0.021	27.479	0.011	0.011	0.000	0.000	0.000	0.000
70	C	95	ASP	-1	-0.882	-0.933	29.116	-0.115	-0.115	0.000	0.000	0.000	0.000
71	C	96	PHE	0	-0.066	-0.043	24.801	0.003	0.003	0.000	0.000	0.000	0.000
72	C	97	SER	0	-0.013	-0.015	29.469	0.005	0.005	0.000	0.000	0.000	0.000
73	C	98	ALA	0	0.020	-0.001	29.814	-0.007	-0.007	0.000	0.000	0.000	0.000
74	C	99	VAL	0	-0.008	-0.004	30.901	-0.003	-0.003	0.000	0.000	0.000	0.000
75	C	100	LYS	1	0.940	0.982	29.742	0.122	0.122	0.000	0.000	0.000	0.000
76	C	101	ALA	0	0.017	0.020	26.819	-0.003	-0.003	0.000	0.000	0.000	0.000
77	C	102	HIS	0	-0.039	-0.026	27.826	-0.012	-0.012	0.000	0.000	0.000	0.000
78	C	103	GLN	0	-0.006	-0.010	30.092	0.004	0.004	0.000	0.000	0.000	0.000
79	C	104	PHE	0	0.006	-0.001	27.320	0.002	0.002	0.000	0.000	0.000	0.000
80	C	105	PHE	0	-0.040	-0.010	21.142	-0.009	-0.009	0.000	0.000	0.000	0.000
81	C	106	THR	0	-0.022	-0.012	24.321	0.014	0.014	0.000	0.000	0.000	0.000
82	C	107	GLU	-1	-0.957	-0.989	23.002	-0.214	-0.214	0.000	0.000	0.000	0.000
83	C	108	GLU	-1	-0.854	-0.921	20.293	-0.140	-0.140	0.000	0.000	0.000	0.000
84	C	109	SER	0	0.000	-0.013	20.620	-0.011	-0.011	0.000	0.000	0.000	0.000
85	C	110	TRP	0	0.076	0.015	11.184	-0.011	-0.011	0.000	0.000	0.000	0.000
86	C	111	ASN	0	-0.011	-0.016	17.403	0.010	0.010	0.000	0.000	0.000	0.000
87	C	112	THR	0	-0.025	0.010	19.888	0.016	0.016	0.000	0.000	0.000	0.000
88	C	113	PHE	0	0.066	0.038	12.227	0.004	0.004	0.000	0.000	0.000	0.000
89	C	114	LYS	1	0.937	0.980	16.053	0.083	0.083	0.000	0.000	0.000	0.000
90	C	115	GLN	0	0.032	0.008	17.068	0.018	0.018	0.000	0.000	0.000	0.000
91	C	116	ILE	0	0.068	0.103	18.154	0.017	0.017	0.000	0.000	0.000	0.000
92	C	117	PHE	0	0.013	-0.002	11.977	0.007	0.007	0.000	0.000	0.000	0.000
93	C	118	GLU	-1	-0.964	-0.988	16.863	0.015	0.015	0.000	0.000	0.000	0.000
94	C	119	THR	0	-0.109	-0.124	18.672	0.014	0.014	0.000	0.000	0.000	0.000
95	C	120	TYR	0	-0.036	-0.017	19.681	0.009	0.009	0.000	0.000	0.000	0.000
96	C	121	MET	0	-0.046	-0.009	14.390	0.003	0.003	0.000	0.000	0.000	0.000
97	C	122	PHE	0	0.026	0.019	16.072	0.032	0.032	0.000	0.000	0.000	0.000
98	C	123	GLU	-1	-0.886	-0.964	17.824	0.128	0.128	0.000	0.000	0.000	0.000
99	C	124	ALA	0	0.027	0.015	13.961	0.028	0.028	0.000	0.000	0.000	0.000
100	C	125	SER	0	0.015	-0.013	12.976	0.059	0.059	0.000	0.000	0.000	0.000
101	C	126	LYS	1	0.877	0.942	14.037	-0.151	-0.151	0.000	0.000	0.000	0.000
102	C	127	GLU	-1	-0.891	-0.944	15.347	0.330	0.330	0.000	0.000	0.000	0.000
103	C	128	TRP	0	-0.042	-0.014	5.501	0.146	0.146	0.000	0.000	0.000	0.000
104	C	129	SER	0	-0.141	-0.078	12.440	0.090	0.090	0.000	0.000	0.000	0.000
105	C	130	GLU	-1	-0.867	-0.922	14.248	0.279	0.279	0.000	0.000	0.000	0.000
106	C	131	THR	0	-0.043	-0.004	11.985	0.004	0.004	0.000	0.000	0.000	0.000
107	C	132	TYR	0	-0.046	-0.037	7.779	0.477	0.477	0.000	0.000	0.000	0.000
108	C	133	GLY	0	-0.022	-0.004	10.745	-0.112	-0.112	0.000	0.000	0.000	0.000
109	C	134	GLY	0	0.023	0.002	12.625	-0.026	-0.026	0.000	0.000	0.000	0.000
110	C	135	SER	0	-0.099	-0.062	12.750	-0.073	-0.073	0.000	0.000	0.000	0.000
111	C	136	SER	0	-0.040	-0.026	12.379	-0.070	-0.070	0.000	0.000	0.000	0.000
112	C	137	LEU	0	0.063	0.041	8.623	0.013	0.013	0.000	0.000	0.000	0.000
113	C	138	LEU	0	0.017	0.013	8.276	-0.061	-0.061	0.000	0.000	0.000	0.000
114	C	139	GLU	-1	-0.761	-0.867	8.869	0.240	0.240	0.000	0.000	0.000	0.000
115	C	140	THR	0	-0.046	-0.028	4.530	-0.198	-0.106	-0.001	-0.007	-0.083	0.000
116	C	141	LEU	0	0.063	0.034	4.119	-0.498	-0.333	0.000	-0.046	-0.119	0.000
117	C	142	TYR	0	-0.037	-0.018	6.036	-0.265	-0.265	0.000	0.000	0.000	0.000
118	C	143	LYS	1	0.969	0.984	4.399	0.362	0.553	-0.001	-0.018	-0.172	0.000
119	C	144	ALA	0	0.010	0.005	2.104	-0.463	-0.825	2.312	-0.691	-1.260	0.000
120	C	145	LEU	0	-0.014	-0.019	3.622	-0.343	-0.296	0.018	0.078	-0.143	0.000
121	C	146	ASP	-1	-0.919	-0.966	7.276	-0.623	-0.623	0.000	0.000	0.000	0.000
122	C	147	GLU	-1	-0.986	-0.986	2.262	-11.834	-9.724	4.207	-2.812	-3.505	-0.041
123	C	148	VAL	0	-0.065	-0.019	4.998	0.205	0.205	0.000	0.000	0.000	0.000
124	C	149	VAL	0	-0.096	-0.075	7.728	0.291	0.291	0.000	0.000	0.000	0.000
125	C	150	LYS	1	0.995	1.002	10.794	0.444	0.444	0.000	0.000	0.000	0.000
126	C	151	LEU	0	0.105	0.042	9.964	0.071	0.071	0.000	0.000	0.000	0.000
127	C	152	PRO	0	-0.030	-0.004	13.756	0.046	0.046	0.000	0.000	0.000	0.000
128	C	153	GLU	-1	-1.012	-1.012	16.430	-0.284	-0.284	0.000	0.000	0.000	0.000
129	C	154	CYS	0	-0.131	-0.054	14.228	-0.026	-0.026	0.000	0.000	0.000	0.000
130	C	155	GLU	-1	-0.831	-0.868	17.043	-0.215	-0.215	0.000	0.000	0.000	0.000
131	C	156	ILE	0	-0.001	-0.009	16.320	-0.043	-0.043	0.000	0.000	0.000	0.000
132	C	157	TYR	0	-0.039	-0.021	18.326	0.038	0.038	0.000	0.000	0.000	0.000
133	C	158	SER	0	-0.003	0.006	18.962	-0.028	-0.028	0.000	0.000	0.000	0.000
134	C	159	TYR	0	-0.075	-0.039	21.122	0.005	0.005	0.000	0.000	0.000	0.000
135	C	160	ASN	0	-0.028	-0.021	22.895	0.003	0.003	0.000	0.000	0.000	0.000
136	C	161	PRO	0	-0.016	-0.008	25.207	0.008	0.008	0.000	0.000	0.000	0.000
137	C	162	ASP	-1	-0.859	-0.928	28.293	-0.086	-0.086	0.000	0.000	0.000	0.000
138	C	163	SER	0	-0.055	-0.026	31.656	0.005	0.005	0.000	0.000	0.000	0.000
139	C	164	ASP	-1	-0.861	-0.944	31.057	-0.064	-0.064	0.000	0.000	0.000	0.000
140	C	165	SER	0	-0.096	-0.054	31.396	0.000	0.000	0.000	0.000	0.000	0.000
141	C	166	ASP	-1	-0.892	-0.940	26.467	-0.149	-0.149	0.000	0.000	0.000	0.000
142	C	167	PRO	0	0.012	0.030	24.344	0.003	0.003	0.000	0.000	0.000	0.000
143	C	168	PHE	0	-0.083	-0.036	21.520	-0.009	-0.009	0.000	0.000	0.000	0.000
144	C	169	LEU	0	0.041	0.003	23.012	-0.004	-0.004	0.000	0.000	0.000	0.000
145	C	170	GLU	-1	-0.751	-0.878	25.469	-0.017	-0.017	0.000	0.000	0.000	0.000
146	C	171	LYS	1	0.826	0.899	27.419	0.013	0.013	0.000	0.000	0.000	0.000
147	C	172	GLY	0	-0.013	0.004	29.172	0.002	0.002	0.000	0.000	0.000	0.000
148	C	173	ALA	0	-0.016	-0.024	25.588	0.006	0.006	0.000	0.000	0.000	0.000
149	C	174	ILE	0	-0.035	-0.003	25.072	-0.001	-0.001	0.000	0.000	0.000	0.000
150	C	175	TRP	0	0.031	-0.007	18.521	-0.007	-0.007	0.000	0.000	0.000	0.000
151	C	176	SER	0	-0.038	-0.026	21.440	-0.004	-0.004	0.000	0.000	0.000	0.000
152	C	177	PHE	0	0.054	0.037	18.792	0.003	0.003	0.000	0.000	0.000	0.000
153	C	178	ASN	0	0.004	-0.008	17.190	-0.048	-0.048	0.000	0.000	0.000	0.000
154	C	179	PHE	0	0.020	0.013	15.456	0.022	0.022	0.000	0.000	0.000	0.000
155	C	180	PHE	0	-0.005	-0.007	15.218	-0.055	-0.055	0.000	0.000	0.000	0.000
156	C	181	PHE	0	0.024	0.015	12.123	0.037	0.037	0.000	0.000	0.000	0.000
157	C	182	TYR	0	-0.017	-0.008	14.049	-0.046	-0.046	0.000	0.000	0.000	0.000
158	C	183	ASN	0	0.111	0.050	15.128	0.064	0.064	0.000	0.000	0.000	0.000
159	C	184	ARG	1	0.915	0.960	17.224	0.234	0.234	0.000	0.000	0.000	0.000
160	C	185	LYS	1	0.943	0.956	20.234	0.259	0.259	0.000	0.000	0.000	0.000
161	C	186	LEU	0	-0.026	0.007	13.647	0.008	0.008	0.000	0.000	0.000	0.000
162	C	187	LYS	1	0.837	0.931	17.111	0.287	0.287	0.000	0.000	0.000	0.000
163	C	188	ARG	1	0.982	0.990	11.820	0.761	0.761	0.000	0.000	0.000	0.000
164	C	189	VAL	0	0.026	0.005	14.674	0.036	0.036	0.000	0.000	0.000	0.000
165	C	190	VAL	0	0.010	0.011	8.730	-0.053	-0.053	0.000	0.000	0.000	0.000
166	C	191	SER	0	-0.012	0.001	11.850	0.115	0.115	0.000	0.000	0.000	0.000
167	C	192	PHE	0	0.015	-0.002	11.443	-0.116	-0.116	0.000	0.000	0.000	0.000
168	C	193	ARG	1	0.883	0.949	12.833	0.297	0.297	0.000	0.000	0.000	0.000
169	C	194	PHE	0	0.038	0.012	14.343	-0.003	-0.003	0.000	0.000	0.000	0.000
170	C	195	SER	0	-0.001	-0.005	16.412	-0.002	-0.002	0.000	0.000	0.000	0.000
171	C	196	CYS	0	-0.035	0.007	18.998	0.024	0.024	0.000	0.000	0.000	0.000
172	C	197	LEU	0	-0.008	0.002	21.630	-0.011	-0.011	0.000	0.000	0.000	0.000
173	C	198	SER	0	0.034	0.009	24.099	0.018	0.018	0.000	0.000	0.000	0.000
174	C	199	ASN	0	0.047	0.022	25.465	-0.011	-0.011	0.000	0.000	0.000	0.000
175	C	200	LEU	0	-0.044	-0.011	27.960	-0.001	-0.001	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(C:8:PRO)