FMO DATABASE

FMODB ID: VZ7N1

Calculation Name: 1VQO-E-Xray549

Preferred Name:

Target Type:

Ligand 3-letter code: PPU | 1MA | PSU | OMG | UR3 | OMU | CD | MG | SR | CL | K

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 1VQO

Chain ID: E

ChEMBL ID:

UniProt ID: P60617

Base Structure: X-ray

Registration Date: 2025-10-11

Reference: Sci Data 11, 1164 (2024).

DOI: https://doi.org/10.1038/s41597-024-03999-2

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	ac.sh, 23 2024 Oct
Water	No
Procedure	Manual calculation
Remarks

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	172
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922

Total energy (hartree)

FMO2-HF: Electronic energy	-1595750.725848
FMO2-HF: Nuclear repulsion	1527711.177417
FMO2-HF: Total energy	-68039.548431
FMO2-MP2: Total energy	-68237.9541

3D Structure Molmil

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(E:1:PRO)

Summations of interaction energy for fragment #1(E:1: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.
-527.335	-524.252	23.874	-11.875	-15.08	-0.131

Interaction energy analysis for fragmet #1(E:1:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.720 / q_NPA : 0.833

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	E	3	VAL	0	-0.041	-0.013	3.884	0.605	2.431	-0.015	-0.843	-0.968	-0.003
50	E	50	GLU	-1	-0.894	-0.950	4.530	-46.829	-46.520	-0.001	-0.073	-0.234	0.000
51	E	51	SER	0	0.037	-0.010	2.881	6.386	7.977	0.093	-0.598	-1.086	-0.003
52	E	52	ASP	-1	-0.909	-0.941	1.756	-89.704	-90.802	11.726	-6.585	-4.043	-0.078
53	E	53	GLU	-1	-0.950	-0.975	3.371	-39.037	-37.474	0.054	-0.774	-0.843	-0.006
54	E	54	ASP	-1	-0.904	-0.976	2.332	-65.525	-65.985	7.713	-2.612	-4.641	-0.026
55	E	55	ASN	0	-0.073	-0.018	3.100	10.901	10.056	0.127	0.925	-0.208	0.000
58	E	58	THR	0	0.086	0.040	4.533	3.819	3.880	-0.001	-0.005	-0.054	0.000
59	E	59	MET	0	0.008	0.007	2.727	-6.918	-7.471	4.114	-1.113	-2.447	-0.013
62	E	62	ILE	0	0.033	0.024	3.116	0.088	0.777	0.064	-0.197	-0.556	-0.002
4	E	4	GLU	-1	-0.853	-0.916	6.703	-27.698	-27.698	0.000	0.000	0.000	0.000
5	E	5	LEU	0	-0.035	-0.016	10.446	0.697	0.697	0.000	0.000	0.000	0.000
6	E	6	GLU	-1	-0.919	-0.958	13.506	-16.660	-16.660	0.000	0.000	0.000	0.000
7	E	7	ILE	0	-0.037	-0.002	16.964	-0.049	-0.049	0.000	0.000	0.000	0.000
8	E	8	PRO	0	-0.036	-0.023	19.523	0.466	0.466	0.000	0.000	0.000	0.000
9	E	9	GLU	-1	-0.973	-0.994	22.801	-10.944	-10.944	0.000	0.000	0.000	0.000
10	E	10	ASP	-1	-0.933	-0.965	26.010	-10.545	-10.545	0.000	0.000	0.000	0.000
11	E	11	VAL	0	-0.042	-0.022	21.977	0.095	0.095	0.000	0.000	0.000	0.000
12	E	12	ASP	-1	-0.907	-0.945	23.733	-12.501	-12.501	0.000	0.000	0.000	0.000
13	E	13	ALA	0	-0.035	-0.033	19.646	-0.085	-0.085	0.000	0.000	0.000	0.000
14	E	14	GLU	-1	-0.968	-0.975	21.489	-12.850	-12.850	0.000	0.000	0.000	0.000
15	E	15	GLN	0	-0.022	-0.036	14.732	-0.097	-0.097	0.000	0.000	0.000	0.000
16	E	16	ASP	-1	-0.925	-0.943	20.019	-13.608	-13.608	0.000	0.000	0.000	0.000
17	E	17	HIS	0	-0.080	-0.056	18.347	-0.597	-0.597	0.000	0.000	0.000	0.000
18	E	18	LEU	0	-0.028	-0.020	15.267	-0.984	-0.984	0.000	0.000	0.000	0.000
19	E	19	ASP	-1	-0.914	-0.959	17.453	-15.390	-15.390	0.000	0.000	0.000	0.000
20	E	20	ILE	0	0.024	0.003	14.970	-0.149	-0.149	0.000	0.000	0.000	0.000
21	E	21	THR	0	-0.005	-0.011	19.565	0.297	0.297	0.000	0.000	0.000	0.000
22	E	22	VAL	0	-0.017	-0.013	19.757	-0.468	-0.468	0.000	0.000	0.000	0.000
23	E	23	GLU	-1	-0.929	-0.980	22.838	-10.825	-10.825	0.000	0.000	0.000	0.000
24	E	24	GLY	0	0.082	0.037	25.779	-0.403	-0.403	0.000	0.000	0.000	0.000
25	E	25	ASP	-1	-0.934	-0.959	28.074	-9.359	-9.359	0.000	0.000	0.000	0.000
26	E	26	ASN	0	-0.145	-0.056	29.112	0.642	0.642	0.000	0.000	0.000	0.000
27	E	27	GLY	0	-0.021	-0.006	30.582	0.038	0.038	0.000	0.000	0.000	0.000
28	E	28	SER	0	0.002	-0.014	26.907	-0.272	-0.272	0.000	0.000	0.000	0.000
29	E	29	VAL	0	-0.020	0.000	22.925	0.147	0.147	0.000	0.000	0.000	0.000
30	E	30	THR	0	0.007	0.007	22.867	-0.263	-0.263	0.000	0.000	0.000	0.000
31	E	31	ARG	1	0.841	0.921	18.724	15.617	15.617	0.000	0.000	0.000	0.000
32	E	32	ARG	1	0.896	0.979	18.698	14.924	14.924	0.000	0.000	0.000	0.000
33	E	33	LEU	0	-0.048	-0.014	13.496	-0.080	-0.080	0.000	0.000	0.000	0.000
34	E	34	TRP	0	-0.007	-0.011	14.302	0.136	0.136	0.000	0.000	0.000	0.000
35	E	35	TYR	0	-0.005	-0.020	9.290	1.138	1.138	0.000	0.000	0.000	0.000
36	E	36	PRO	0	-0.058	-0.037	11.086	-0.266	-0.266	0.000	0.000	0.000	0.000
37	E	37	ASP	-1	-0.896	-0.945	8.024	-30.404	-30.404	0.000	0.000	0.000	0.000
38	E	38	ILE	0	-0.062	-0.002	5.996	-6.739	-6.739	0.000	0.000	0.000	0.000
39	E	39	ASP	-1	-0.926	-0.938	7.283	-27.514	-27.514	0.000	0.000	0.000	0.000
40	E	40	VAL	0	-0.030	-0.038	8.589	-3.032	-3.032	0.000	0.000	0.000	0.000
41	E	41	SER	0	-0.014	0.006	11.329	1.958	1.958	0.000	0.000	0.000	0.000
42	E	42	VAL	0	0.039	0.019	13.627	-0.702	-0.702	0.000	0.000	0.000	0.000
43	E	43	ASP	-1	-0.986	-0.980	14.247	-20.133	-20.133	0.000	0.000	0.000	0.000
44	E	44	GLY	0	-0.029	-0.017	16.256	0.042	0.042	0.000	0.000	0.000	0.000
45	E	45	ASP	-1	-0.907	-0.947	19.442	-15.556	-15.556	0.000	0.000	0.000	0.000
46	E	46	THR	0	-0.027	-0.019	14.515	-0.783	-0.783	0.000	0.000	0.000	0.000
47	E	47	VAL	0	0.024	0.010	12.993	0.092	0.092	0.000	0.000	0.000	0.000
48	E	48	VAL	0	-0.018	-0.004	8.675	-1.531	-1.531	0.000	0.000	0.000	0.000
49	E	49	ILE	0	0.002	0.006	6.756	0.794	0.794	0.000	0.000	0.000	0.000
56	E	56	ALA	0	0.030	-0.004	6.399	-1.234	-1.234	0.000	0.000	0.000	0.000
57	E	57	LYS	1	0.887	0.962	8.422	21.716	21.716	0.000	0.000	0.000	0.000
60	E	60	SER	0	-0.046	-0.031	5.830	2.371	2.371	0.000	0.000	0.000	0.000
61	E	61	THR	0	-0.014	0.002	8.841	2.445	2.445	0.000	0.000	0.000	0.000
63	E	63	GLY	0	0.019	0.011	7.022	1.940	1.940	0.000	0.000	0.000	0.000
64	E	64	THR	0	-0.064	-0.044	9.039	2.565	2.565	0.000	0.000	0.000	0.000
65	E	65	PHE	0	0.007	-0.018	9.808	1.827	1.827	0.000	0.000	0.000	0.000
66	E	66	GLN	0	-0.051	-0.024	9.155	-1.063	-1.063	0.000	0.000	0.000	0.000
67	E	67	SER	0	0.027	0.013	11.261	1.311	1.311	0.000	0.000	0.000	0.000
68	E	68	HIS	0	-0.022	-0.014	14.355	1.583	1.583	0.000	0.000	0.000	0.000
69	E	69	ILE	0	0.014	0.010	12.661	0.969	0.969	0.000	0.000	0.000	0.000
70	E	70	GLU	-1	-0.842	-0.914	13.865	-19.275	-19.275	0.000	0.000	0.000	0.000
71	E	71	ASN	0	0.005	-0.019	17.037	1.202	1.202	0.000	0.000	0.000	0.000
72	E	72	MET	0	-0.018	0.004	17.596	0.902	0.902	0.000	0.000	0.000	0.000
73	E	73	PHE	0	0.040	0.014	16.682	0.622	0.622	0.000	0.000	0.000	0.000
74	E	74	HIS	1	0.830	0.918	21.197	12.595	12.595	0.000	0.000	0.000	0.000
75	E	75	GLY	0	0.010	0.013	23.121	0.544	0.544	0.000	0.000	0.000	0.000
76	E	76	VAL	0	0.016	0.001	23.855	0.521	0.521	0.000	0.000	0.000	0.000
77	E	77	THR	0	-0.023	-0.013	24.880	0.316	0.316	0.000	0.000	0.000	0.000
78	E	78	GLU	-1	-0.928	-0.956	26.767	-10.835	-10.835	0.000	0.000	0.000	0.000
79	E	79	GLY	0	0.009	0.023	27.527	0.403	0.403	0.000	0.000	0.000	0.000
80	E	80	TRP	0	-0.134	-0.054	22.132	-0.218	-0.218	0.000	0.000	0.000	0.000
81	E	81	GLU	-1	-0.843	-0.949	28.632	-8.555	-8.555	0.000	0.000	0.000	0.000
82	E	82	TYR	0	-0.043	-0.023	26.514	-0.138	-0.138	0.000	0.000	0.000	0.000
83	E	83	GLY	0	-0.029	-0.008	32.908	0.226	0.226	0.000	0.000	0.000	0.000
84	E	84	MET	0	-0.077	-0.042	36.197	-0.203	-0.203	0.000	0.000	0.000	0.000
85	E	85	GLU	-1	-0.813	-0.868	38.683	-7.209	-7.209	0.000	0.000	0.000	0.000
86	E	86	VAL	0	-0.037	-0.010	42.290	-0.083	-0.083	0.000	0.000	0.000	0.000
87	E	87	PHE	0	-0.008	-0.007	44.856	0.147	0.147	0.000	0.000	0.000	0.000
88	E	88	TYR	0	0.002	-0.007	46.986	0.031	0.031	0.000	0.000	0.000	0.000
89	E	89	SER	0	-0.061	-0.062	50.065	0.117	0.117	0.000	0.000	0.000	0.000
90	E	90	HIS	0	-0.129	-0.067	52.990	0.181	0.181	0.000	0.000	0.000	0.000
91	E	91	PHE	0	-0.042	-0.027	53.749	0.146	0.146	0.000	0.000	0.000	0.000
92	E	92	PRO	0	0.007	0.004	53.098	-0.092	-0.092	0.000	0.000	0.000	0.000
93	E	93	MET	0	-0.010	0.032	46.599	0.011	0.011	0.000	0.000	0.000	0.000
94	E	94	GLN	0	-0.065	-0.025	50.423	0.068	0.068	0.000	0.000	0.000	0.000
95	E	95	VAL	0	0.055	0.017	44.227	-0.077	-0.077	0.000	0.000	0.000	0.000
96	E	96	ASN	0	-0.022	-0.012	46.625	0.087	0.087	0.000	0.000	0.000	0.000
97	E	97	VAL	0	0.074	0.041	42.165	-0.101	-0.101	0.000	0.000	0.000	0.000
98	E	98	GLU	-1	-0.953	-0.979	44.752	-6.309	-6.309	0.000	0.000	0.000	0.000
99	E	99	GLY	0	-0.037	-0.020	44.632	-0.015	-0.015	0.000	0.000	0.000	0.000
100	E	100	ASP	-1	-0.882	-0.936	39.323	-7.877	-7.877	0.000	0.000	0.000	0.000
101	E	101	GLU	-1	-0.861	-0.928	39.661	-7.416	-7.416	0.000	0.000	0.000	0.000
102	E	102	VAL	0	0.027	0.028	39.451	0.169	0.169	0.000	0.000	0.000	0.000
103	E	103	VAL	0	-0.053	-0.033	42.492	-0.028	-0.028	0.000	0.000	0.000	0.000
104	E	104	ILE	0	0.034	0.011	42.936	0.049	0.049	0.000	0.000	0.000	0.000
105	E	105	GLU	-1	-0.909	-0.962	47.196	-5.976	-5.976	0.000	0.000	0.000	0.000
106	E	106	ASN	0	-0.065	-0.045	50.942	0.057	0.057	0.000	0.000	0.000	0.000
107	E	107	PHE	0	0.089	0.045	46.172	0.059	0.059	0.000	0.000	0.000	0.000
108	E	108	LEU	0	-0.030	-0.019	49.422	0.067	0.067	0.000	0.000	0.000	0.000
109	E	109	GLY	0	-0.013	0.005	52.043	0.097	0.097	0.000	0.000	0.000	0.000
110	E	110	GLU	-1	-0.907	-0.926	49.507	-6.369	-6.369	0.000	0.000	0.000	0.000
111	E	111	LYS	1	0.910	0.929	53.714	5.309	5.309	0.000	0.000	0.000	0.000
112	E	112	ALA	0	-0.045	-0.013	51.611	0.053	0.053	0.000	0.000	0.000	0.000
113	E	113	PRO	0	0.018	0.008	49.836	-0.056	-0.056	0.000	0.000	0.000	0.000
114	E	114	ARG	1	0.741	0.849	44.442	6.854	6.854	0.000	0.000	0.000	0.000
115	E	115	ARG	1	0.802	0.881	43.892	6.884	6.884	0.000	0.000	0.000	0.000
116	E	116	THR	0	-0.026	-0.010	37.410	-0.056	-0.056	0.000	0.000	0.000	0.000
117	E	117	THR	0	-0.016	-0.008	37.814	0.108	0.108	0.000	0.000	0.000	0.000
118	E	118	ILE	0	0.007	0.014	35.536	-0.184	-0.184	0.000	0.000	0.000	0.000
119	E	119	HIS	0	-0.082	-0.033	31.056	-0.275	-0.275	0.000	0.000	0.000	0.000
120	E	120	GLY	0	0.016	0.009	31.258	-0.157	-0.157	0.000	0.000	0.000	0.000
121	E	121	ASP	-1	-0.936	-0.961	31.940	-9.356	-9.356	0.000	0.000	0.000	0.000
122	E	122	THR	0	-0.061	-0.037	31.940	-0.213	-0.213	0.000	0.000	0.000	0.000
123	E	123	ASP	-1	-0.907	-0.940	33.736	-8.382	-8.382	0.000	0.000	0.000	0.000
124	E	124	VAL	0	-0.046	-0.053	36.189	-0.120	-0.120	0.000	0.000	0.000	0.000
125	E	125	GLU	-1	-0.959	-0.965	38.875	-7.350	-7.350	0.000	0.000	0.000	0.000
126	E	126	ILE	0	-0.048	-0.034	41.367	-0.095	-0.095	0.000	0.000	0.000	0.000
127	E	127	ASP	-1	-0.969	-0.974	44.147	-6.444	-6.444	0.000	0.000	0.000	0.000
128	E	128	GLY	0	-0.031	-0.023	46.562	-0.007	-0.007	0.000	0.000	0.000	0.000
129	E	129	GLU	-1	-0.912	-0.975	47.126	-6.362	-6.362	0.000	0.000	0.000	0.000
130	E	130	GLU	-1	-0.957	-0.968	42.113	-7.430	-7.430	0.000	0.000	0.000	0.000
131	E	131	LEU	0	-0.021	-0.025	39.771	0.084	0.084	0.000	0.000	0.000	0.000
132	E	132	THR	0	-0.046	-0.012	36.788	-0.211	-0.211	0.000	0.000	0.000	0.000
133	E	133	VAL	0	-0.001	-0.002	33.286	0.132	0.132	0.000	0.000	0.000	0.000
134	E	134	SER	0	0.017	0.002	32.282	-0.244	-0.244	0.000	0.000	0.000	0.000
135	E	135	GLY	0	0.117	0.051	31.344	0.154	0.154	0.000	0.000	0.000	0.000
136	E	136	PRO	0	0.028	0.024	27.451	-0.249	-0.249	0.000	0.000	0.000	0.000
137	E	137	ASP	-1	-0.843	-0.942	24.321	-13.097	-13.097	0.000	0.000	0.000	0.000
138	E	138	ILE	0	-0.008	-0.004	21.610	0.356	0.356	0.000	0.000	0.000	0.000
139	E	139	GLU	-1	-0.925	-0.960	22.047	-13.970	-13.970	0.000	0.000	0.000	0.000
140	E	140	ALA	0	-0.012	-0.004	25.172	0.407	0.407	0.000	0.000	0.000	0.000
141	E	141	VAL	0	0.031	0.048	28.401	0.407	0.407	0.000	0.000	0.000	0.000
142	E	142	GLY	0	0.018	0.004	27.611	0.316	0.316	0.000	0.000	0.000	0.000
143	E	143	GLN	0	-0.120	-0.067	28.155	0.066	0.066	0.000	0.000	0.000	0.000
144	E	144	THR	0	0.020	0.011	30.220	0.421	0.421	0.000	0.000	0.000	0.000
145	E	145	ALA	0	0.025	0.014	32.009	0.338	0.338	0.000	0.000	0.000	0.000
146	E	146	ALA	0	0.002	-0.008	31.076	0.272	0.272	0.000	0.000	0.000	0.000
147	E	147	ASP	-1	-0.861	-0.952	33.164	-9.144	-9.144	0.000	0.000	0.000	0.000
148	E	148	ILE	0	-0.010	-0.001	35.465	0.332	0.332	0.000	0.000	0.000	0.000
149	E	149	GLU	-1	-0.854	-0.906	35.585	-8.458	-8.458	0.000	0.000	0.000	0.000
150	E	150	GLN	0	-0.069	-0.044	34.517	0.361	0.361	0.000	0.000	0.000	0.000
151	E	151	LEU	0	-0.025	0.009	37.840	0.200	0.200	0.000	0.000	0.000	0.000
152	E	152	THR	0	-0.032	-0.012	40.851	0.262	0.262	0.000	0.000	0.000	0.000
153	E	153	ARG	1	0.909	0.968	37.636	8.218	8.218	0.000	0.000	0.000	0.000
154	E	154	ILE	0	-0.003	-0.004	41.892	0.185	0.185	0.000	0.000	0.000	0.000
155	E	155	ASN	0	-0.027	-0.025	41.992	-0.288	-0.288	0.000	0.000	0.000	0.000
156	E	156	ASP	-1	-0.858	-0.919	44.756	-6.541	-6.541	0.000	0.000	0.000	0.000
157	E	157	LYS	1	0.835	0.917	48.151	6.414	6.414	0.000	0.000	0.000	0.000
158	E	158	ASP	-1	-0.816	-0.879	47.765	-6.646	-6.646	0.000	0.000	0.000	0.000
159	E	159	VAL	0	0.112	0.052	42.812	0.112	0.112	0.000	0.000	0.000	0.000
160	E	160	ARG	1	0.792	0.867	46.089	6.511	6.511	0.000	0.000	0.000	0.000
161	E	161	VAL	0	-0.074	-0.027	47.672	0.103	0.103	0.000	0.000	0.000	0.000
162	E	162	PHE	0	-0.032	-0.040	48.940	0.108	0.108	0.000	0.000	0.000	0.000
163	E	163	GLN	0	0.038	0.010	45.467	-0.029	-0.029	0.000	0.000	0.000	0.000
164	E	164	ASP	-1	-0.825	-0.849	45.809	-6.365	-6.365	0.000	0.000	0.000	0.000
165	E	165	GLY	0	-0.008	-0.015	43.561	-0.053	-0.053	0.000	0.000	0.000	0.000
166	E	166	VAL	0	0.017	0.009	40.357	0.143	0.143	0.000	0.000	0.000	0.000
167	E	167	TYR	0	-0.073	-0.043	38.710	-0.186	-0.186	0.000	0.000	0.000	0.000
168	E	168	ILE	0	0.008	-0.006	32.453	-0.009	-0.009	0.000	0.000	0.000	0.000
169	E	169	THR	0	-0.075	-0.055	35.630	-0.147	-0.147	0.000	0.000	0.000	0.000
170	E	170	ARG	1	0.861	0.923	34.001	8.459	8.459	0.000	0.000	0.000	0.000
171	E	171	LYS	1	0.912	0.956	28.733	9.992	9.992	0.000	0.000	0.000	0.000
172	E	172	PRO	-1	-0.890	-0.922	26.401	-11.425	-11.425	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

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