FMO DATABASE

FMODB ID: 16ZJZ

Calculation Name: 2A7W-A-Xray540

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2A7W

Chain ID: A

ChEMBL ID:

UniProt ID: Q7P0E6

Base Structure: X-ray

Registration Date: 2025-07-10

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	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	177
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-615822.972623
FMO2-HF: Nuclear repulsion	579522.533126
FMO2-HF: Total energy	-36300.439496
FMO2-MP2: Total energy	-36406.021667

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:4:ASP)

Summations of interaction energy for fragment #1(A:4: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.
-2.734	-0.019000000000001	5.406	-3.318	-4.805	0.023

Interaction energy analysis for fragmet #1(A:4:ASP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.074 / q_NPA : 0.054

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	A	5	VAL	0	-0.082	0.089	3.797	0.042	0.445	0.005	-0.147	-0.261	0.000
5	A	6	LEU	0	0.079	-0.118	3.835	0.557	2.471	-0.014	-1.084	-0.816	0.005
6	A	6	LEU	0	-0.014	0.117	4.633	0.109	0.177	-0.001	-0.009	-0.058	0.000
7	A	7	LYS	0	0.092	-0.096	2.916	1.692	0.638	0.110	1.310	-0.367	0.001
8	A	7	LYS	1	0.792	1.010	2.180	-5.672	-5.243	5.168	-2.870	-2.728	0.022
9	A	8	ASN	0	0.116	0.003	3.569	0.607	0.880	0.002	-0.087	-0.188	0.000
10	A	8	ASN	0	-0.078	0.055	2.915	-2.036	-1.400	0.138	-0.430	-0.344	-0.005
11	A	9	ILE	0	0.127	-0.067	5.348	0.498	0.544	-0.002	-0.001	-0.043	0.000
12	A	9	ILE	0	-0.079	0.095	7.766	0.021	0.021	0.000	0.000	0.000	0.000
13	A	10	ALA	0	0.116	-0.099	7.304	0.232	0.232	0.000	0.000	0.000	0.000
14	A	10	ALA	0	-0.070	0.108	7.416	-0.011	-0.011	0.000	0.000	0.000	0.000
15	A	11	ASP	0	0.120	-0.101	7.620	0.043	0.043	0.000	0.000	0.000	0.000
16	A	11	ASP	-1	-0.952	-0.809	6.602	0.934	0.934	0.000	0.000	0.000	0.000
17	A	12	THR	0	0.018	-0.082	9.281	0.111	0.111	0.000	0.000	0.000	0.000
18	A	12	THR	0	-0.134	0.009	9.280	0.017	0.017	0.000	0.000	0.000	0.000
19	A	13	LEU	0	-0.029	-0.121	11.283	0.073	0.073	0.000	0.000	0.000	0.000
20	A	13	LEU	0	-0.048	0.085	11.766	0.000	0.000	0.000	0.000	0.000	0.000
21	A	14	GLU	0	0.130	-0.124	12.414	-0.002	-0.002	0.000	0.000	0.000	0.000
22	A	14	GLU	-1	-0.913	-0.784	11.709	0.143	0.143	0.000	0.000	0.000	0.000
23	A	15	ALA	0	0.104	-0.055	13.306	0.034	0.034	0.000	0.000	0.000	0.000
24	A	15	ALA	0	-0.134	0.074	13.434	0.001	0.001	0.000	0.000	0.000	0.000
25	A	16	ARG	0	0.000	-0.081	15.040	0.030	0.030	0.000	0.000	0.000	0.000
26	A	16	ARG	1	0.769	0.994	15.028	0.227	0.227	0.000	0.000	0.000	0.000
27	A	17	ARG	0	0.150	-0.117	17.113	-0.033	-0.033	0.000	0.000	0.000	0.000
28	A	17	ARG	1	0.790	1.078	17.050	0.103	0.103	0.000	0.000	0.000	0.000
29	A	18	GLU	0	0.075	-0.119	18.534	-0.023	-0.023	0.000	0.000	0.000	0.000
30	A	18	GLU	-1	-1.036	-0.846	21.830	-0.001	-0.001	0.000	0.000	0.000	0.000
31	A	19	ALA	0	0.074	-0.074	21.200	0.026	0.026	0.000	0.000	0.000	0.000
32	A	19	ALA	0	-0.105	0.063	20.372	-0.003	-0.003	0.000	0.000	0.000	0.000
33	A	20	ALA	0	0.134	-0.107	22.315	-0.004	-0.004	0.000	0.000	0.000	0.000
34	A	20	ALA	0	-0.115	0.092	25.434	0.001	0.001	0.000	0.000	0.000	0.000
35	A	21	PRO	0	0.016	-0.091	24.200	-0.017	-0.017	0.000	0.000	0.000	0.000
36	A	22	GLN	0	0.066	-0.003	25.795	-0.019	-0.019	0.000	0.000	0.000	0.000
37	A	22	GLN	0	-0.074	0.091	28.138	0.002	0.002	0.000	0.000	0.000	0.000
38	A	23	SER	0	-0.048	-0.082	22.840	-0.005	-0.005	0.000	0.000	0.000	0.000
39	A	23	SER	0	0.011	0.056	21.804	0.000	0.000	0.000	0.000	0.000	0.000
40	A	24	SER	0	0.026	-0.045	20.096	0.002	0.002	0.000	0.000	0.000	0.000
41	A	24	SER	0	-0.027	0.048	19.291	-0.021	-0.021	0.000	0.000	0.000	0.000
42	A	25	TYR	0	0.113	-0.076	20.745	0.027	0.027	0.000	0.000	0.000	0.000
43	A	25	TYR	0	-0.095	0.075	19.391	0.023	0.023	0.000	0.000	0.000	0.000
44	A	26	VAL	0	0.102	-0.100	17.679	0.016	0.016	0.000	0.000	0.000	0.000
45	A	26	VAL	0	-0.056	0.120	15.849	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	27	ALA	0	0.105	-0.064	19.144	0.001	0.001	0.000	0.000	0.000	0.000
47	A	27	ALA	0	-0.044	0.110	20.729	0.003	0.003	0.000	0.000	0.000	0.000
48	A	28	SER	0	0.033	-0.065	21.361	0.019	0.019	0.000	0.000	0.000	0.000
49	A	28	SER	0	-0.098	0.034	23.723	0.000	0.000	0.000	0.000	0.000	0.000
50	A	29	LEU	0	-0.013	-0.139	21.991	0.028	0.028	0.000	0.000	0.000	0.000
51	A	29	LEU	0	-0.056	0.108	20.043	-0.001	-0.001	0.000	0.000	0.000	0.000
52	A	30	PHE	0	0.108	-0.085	21.572	0.006	0.006	0.000	0.000	0.000	0.000
53	A	30	PHE	0	-0.082	0.100	16.285	-0.001	-0.001	0.000	0.000	0.000	0.000
54	A	31	HIS	0	0.145	-0.043	22.536	0.014	0.014	0.000	0.000	0.000	0.000
55	A	31	HIS	0	-0.127	0.059	25.744	0.004	0.004	0.000	0.000	0.000	0.000
56	A	32	LYS	0	0.006	-0.102	25.967	0.015	0.015	0.000	0.000	0.000	0.000
57	A	32	LYS	1	0.795	1.012	26.142	0.182	0.182	0.000	0.000	0.000	0.000
58	A	33	GLY	0	0.024	-0.079	25.559	0.012	0.012	0.000	0.000	0.000	0.000
59	A	34	GLU	0	0.117	-0.023	24.186	-0.024	-0.024	0.000	0.000	0.000	0.000
60	A	34	GLU	-1	-0.922	-0.796	24.167	-0.159	-0.159	0.000	0.000	0.000	0.000
61	A	35	ASP	0	0.069	-0.129	24.963	-0.029	-0.029	0.000	0.000	0.000	0.000
62	A	35	ASP	-1	-0.965	-0.839	29.196	-0.141	-0.141	0.000	0.000	0.000	0.000
63	A	36	ALA	0	0.032	-0.105	26.605	-0.015	-0.015	0.000	0.000	0.000	0.000
64	A	36	ALA	0	-0.050	0.100	26.035	0.002	0.002	0.000	0.000	0.000	0.000
65	A	37	ILE	0	0.045	-0.111	22.073	-0.014	-0.014	0.000	0.000	0.000	0.000
66	A	37	ILE	0	-0.060	0.111	20.062	-0.005	-0.005	0.000	0.000	0.000	0.000
67	A	38	LEU	0	0.075	-0.122	22.584	-0.043	-0.043	0.000	0.000	0.000	0.000
68	A	38	LEU	0	-0.067	0.118	22.993	0.001	0.001	0.000	0.000	0.000	0.000
69	A	39	LYS	0	0.058	-0.096	24.440	-0.013	-0.013	0.000	0.000	0.000	0.000
70	A	39	LYS	1	0.848	1.048	26.896	0.194	0.194	0.000	0.000	0.000	0.000
71	A	40	LYS	0	0.154	-0.076	22.996	0.006	0.006	0.000	0.000	0.000	0.000
72	A	40	LYS	1	0.709	1.018	21.714	0.308	0.308	0.000	0.000	0.000	0.000
73	A	41	VAL	0	0.090	-0.098	21.234	-0.025	-0.025	0.000	0.000	0.000	0.000
74	A	41	VAL	0	-0.097	0.102	19.583	0.000	0.000	0.000	0.000	0.000	0.000
75	A	42	ALA	0	0.122	-0.092	22.091	-0.029	-0.029	0.000	0.000	0.000	0.000
76	A	42	ALA	0	-0.110	0.088	26.528	0.007	0.007	0.000	0.000	0.000	0.000
77	A	43	GLU	0	0.057	-0.107	25.490	0.003	0.003	0.000	0.000	0.000	0.000
78	A	43	GLU	-1	-0.939	-0.805	25.188	-0.275	-0.275	0.000	0.000	0.000	0.000
79	A	44	GLU	0	0.090	-0.117	21.555	0.025	0.025	0.000	0.000	0.000	0.000
80	A	44	GLU	-1	-0.936	-0.834	20.383	-0.418	-0.418	0.000	0.000	0.000	0.000
81	A	45	ALA	0	0.126	-0.072	22.801	-0.031	-0.031	0.000	0.000	0.000	0.000
82	A	45	ALA	0	-0.104	0.098	23.077	0.003	0.003	0.000	0.000	0.000	0.000
83	A	46	ALA	0	0.046	-0.127	23.653	-0.006	-0.006	0.000	0.000	0.000	0.000
84	A	46	ALA	0	-0.080	0.110	27.922	0.006	0.006	0.000	0.000	0.000	0.000
85	A	47	GLU	0	0.087	-0.140	25.460	0.020	0.020	0.000	0.000	0.000	0.000
86	A	47	GLU	-1	-0.948	-0.800	24.373	-0.294	-0.294	0.000	0.000	0.000	0.000
87	A	48	THR	0	0.042	-0.100	22.688	0.008	0.008	0.000	0.000	0.000	0.000
88	A	48	THR	0	-0.078	0.058	21.352	-0.024	-0.024	0.000	0.000	0.000	0.000
89	A	49	LEU	0	0.049	-0.103	23.793	-0.006	-0.006	0.000	0.000	0.000	0.000
90	A	49	LEU	0	-0.131	0.078	25.553	0.006	0.006	0.000	0.000	0.000	0.000
91	A	50	MET	0	0.052	-0.120	26.989	0.010	0.010	0.000	0.000	0.000	0.000
92	A	50	MET	0	-0.090	0.112	28.677	0.011	0.011	0.000	0.000	0.000	0.000
93	A	51	ALA	0	0.170	-0.094	25.296	0.027	0.027	0.000	0.000	0.000	0.000
94	A	51	ALA	0	-0.066	0.135	24.632	-0.008	-0.008	0.000	0.000	0.000	0.000
95	A	52	SER	0	0.034	-0.095	26.024	0.005	0.005	0.000	0.000	0.000	0.000
96	A	52	SER	0	-0.103	0.054	25.112	0.005	0.005	0.000	0.000	0.000	0.000
97	A	53	LYS	0	-0.012	-0.135	26.609	0.008	0.008	0.000	0.000	0.000	0.000
98	A	53	LYS	1	0.864	1.084	30.501	0.228	0.228	0.000	0.000	0.000	0.000
99	A	54	ASP	0	0.101	-0.110	29.834	0.018	0.018	0.000	0.000	0.000	0.000
100	A	54	ASP	-1	-0.972	-0.812	29.827	-0.234	-0.234	0.000	0.000	0.000	0.000
101	A	55	LYS	0	-0.054	-0.134	28.074	0.004	0.004	0.000	0.000	0.000	0.000
102	A	55	LYS	1	0.738	0.983	29.474	0.231	0.231	0.000	0.000	0.000	0.000
103	A	56	ASP	0	0.195	-0.082	27.264	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	56	ASP	-1	-0.881	-0.781	26.355	-0.326	-0.326	0.000	0.000	0.000	0.000
105	A	57	LYS	0	0.077	-0.087	23.693	-0.025	-0.025	0.000	0.000	0.000	0.000
106	A	57	LYS	1	0.837	1.023	23.124	0.330	0.330	0.000	0.000	0.000	0.000
107	A	58	LEU	0	0.061	-0.119	21.834	-0.052	-0.052	0.000	0.000	0.000	0.000
108	A	58	LEU	0	-0.093	0.097	22.391	0.003	0.003	0.000	0.000	0.000	0.000
109	A	59	HIS	0	0.082	-0.093	21.480	-0.055	-0.055	0.000	0.000	0.000	0.000
110	A	59	HIS	0	-0.100	0.096	23.892	0.012	0.012	0.000	0.000	0.000	0.000
111	A	60	LEU	0	0.174	-0.052	22.002	-0.023	-0.023	0.000	0.000	0.000	0.000
112	A	60	LEU	0	-0.162	0.078	20.917	0.002	0.002	0.000	0.000	0.000	0.000
113	A	61	VAL	0	0.048	-0.113	17.940	-0.025	-0.025	0.000	0.000	0.000	0.000
114	A	61	VAL	0	-0.107	0.083	16.020	-0.008	-0.008	0.000	0.000	0.000	0.000
115	A	62	ARG	0	0.034	-0.101	17.186	-0.107	-0.107	0.000	0.000	0.000	0.000
116	A	62	ARG	1	0.873	1.058	19.079	0.513	0.513	0.000	0.000	0.000	0.000
117	A	63	GLU	0	0.114	-0.087	18.480	-0.060	-0.060	0.000	0.000	0.000	0.000
118	A	63	GLU	-1	-0.885	-0.796	21.627	-0.434	-0.434	0.000	0.000	0.000	0.000
119	A	64	VAL	0	0.172	-0.068	17.578	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	64	VAL	0	-0.121	0.076	15.512	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	65	ALA	0	0.072	-0.110	14.216	-0.063	-0.063	0.000	0.000	0.000	0.000
122	A	65	ALA	0	-0.095	0.097	14.130	-0.014	-0.014	0.000	0.000	0.000	0.000
123	A	66	ASP	0	0.099	-0.107	14.871	-0.117	-0.117	0.000	0.000	0.000	0.000
124	A	66	ASP	-1	-0.927	-0.809	18.893	-0.540	-0.540	0.000	0.000	0.000	0.000
125	A	67	LEU	0	0.149	-0.104	17.546	0.024	0.024	0.000	0.000	0.000	0.000
126	A	67	LEU	0	-0.125	0.109	17.916	0.001	0.001	0.000	0.000	0.000	0.000
127	A	68	TRP	0	0.081	-0.089	13.330	0.090	0.090	0.000	0.000	0.000	0.000
128	A	68	TRP	0	-0.107	0.076	9.672	-0.099	-0.099	0.000	0.000	0.000	0.000
129	A	69	PHE	0	0.080	-0.098	13.091	-0.040	-0.040	0.000	0.000	0.000	0.000
130	A	69	PHE	0	-0.106	0.092	12.581	0.006	0.006	0.000	0.000	0.000	0.000
131	A	70	HIS	0	0.112	-0.098	14.133	0.021	0.021	0.000	0.000	0.000	0.000
132	A	70	HIS	0	-0.082	0.116	18.570	0.059	0.059	0.000	0.000	0.000	0.000
133	A	71	THR	0	0.065	-0.085	15.897	0.095	0.095	0.000	0.000	0.000	0.000
134	A	71	THR	0	-0.084	0.049	14.971	0.015	0.015	0.000	0.000	0.000	0.000
135	A	72	MET	0	0.042	-0.105	11.906	0.114	0.114	0.000	0.000	0.000	0.000
136	A	72	MET	0	-0.089	0.093	9.539	-0.144	-0.144	0.000	0.000	0.000	0.000
137	A	73	VAL	0	0.073	-0.081	13.157	0.070	0.070	0.000	0.000	0.000	0.000
138	A	73	VAL	0	-0.092	0.088	15.308	0.007	0.007	0.000	0.000	0.000	0.000
139	A	74	LEU	0	0.132	-0.083	15.880	0.072	0.072	0.000	0.000	0.000	0.000
140	A	74	LEU	0	-0.108	0.102	17.935	0.000	0.000	0.000	0.000	0.000	0.000
141	A	75	LEU	0	0.055	-0.120	14.389	0.075	0.075	0.000	0.000	0.000	0.000
142	A	75	LEU	0	-0.079	0.079	12.513	-0.013	-0.013	0.000	0.000	0.000	0.000
143	A	76	THR	0	0.032	-0.078	14.845	0.067	0.067	0.000	0.000	0.000	0.000
144	A	76	THR	0	-0.053	0.060	13.562	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	77	TYR	0	0.081	-0.076	15.356	0.067	0.067	0.000	0.000	0.000	0.000
146	A	77	TYR	0	-0.091	0.093	19.688	0.002	0.002	0.000	0.000	0.000	0.000
147	A	78	HIS	0	-0.013	-0.106	18.361	0.040	0.040	0.000	0.000	0.000	0.000
148	A	78	HIS	0	-0.168	0.057	18.960	0.012	0.012	0.000	0.000	0.000	0.000
149	A	79	GLY	0	0.017	-0.123	17.290	0.020	0.020	0.000	0.000	0.000	0.000
150	A	80	LEU	0	0.055	0.033	15.026	0.071	0.071	0.000	0.000	0.000	0.000
151	A	80	LEU	0	-0.114	0.063	14.984	-0.013	-0.013	0.000	0.000	0.000	0.000
152	A	81	ARG	0	0.051	-0.129	10.731	-0.039	-0.039	0.000	0.000	0.000	0.000
153	A	81	ARG	1	0.712	0.951	6.589	-0.408	-0.408	0.000	0.000	0.000	0.000
154	A	82	PRO	0	0.032	-0.094	7.065	-0.007	-0.007	0.000	0.000	0.000	0.000
155	A	83	GLU	0	0.068	-0.011	7.796	-0.278	-0.278	0.000	0.000	0.000	0.000
156	A	83	GLU	-1	-0.795	-0.736	5.946	0.728	0.728	0.000	0.000	0.000	0.000
157	A	84	ASP	0	0.072	-0.088	8.358	0.016	0.016	0.000	0.000	0.000	0.000
158	A	84	ASP	-1	-0.885	-0.821	12.933	-0.064	-0.064	0.000	0.000	0.000	0.000
159	A	85	VAL	0	0.090	-0.095	11.534	0.073	0.073	0.000	0.000	0.000	0.000
160	A	85	VAL	0	-0.080	0.109	11.604	-0.009	-0.009	0.000	0.000	0.000	0.000
161	A	86	VAL	0	0.084	-0.091	8.846	0.066	0.066	0.000	0.000	0.000	0.000
162	A	86	VAL	0	-0.092	0.082	7.136	-0.061	-0.061	0.000	0.000	0.000	0.000
163	A	87	MET	0	0.058	-0.127	10.364	0.001	0.001	0.000	0.000	0.000	0.000
164	A	87	MET	0	-0.105	0.093	10.237	0.105	0.105	0.000	0.000	0.000	0.000
165	A	88	GLU	0	0.114	-0.071	12.269	0.068	0.068	0.000	0.000	0.000	0.000
166	A	88	GLU	-1	-0.925	-0.809	15.031	-0.228	-0.228	0.000	0.000	0.000	0.000
167	A	89	LEU	0	0.041	-0.129	13.627	0.092	0.092	0.000	0.000	0.000	0.000
168	A	89	LEU	0	-0.111	0.088	12.139	-0.027	-0.027	0.000	0.000	0.000	0.000
169	A	90	HIS	0	0.083	-0.081	13.367	0.012	0.012	0.000	0.000	0.000	0.000
170	A	90	HIS	0	-0.158	0.050	12.338	0.068	0.068	0.000	0.000	0.000	0.000
171	A	91	ARG	0	0.089	-0.086	14.343	0.043	0.043	0.000	0.000	0.000	0.000
172	A	91	ARG	1	0.834	1.048	17.008	0.104	0.104	0.000	0.000	0.000	0.000
173	A	92	ARG	0	-0.041	-0.102	17.466	0.051	0.051	0.000	0.000	0.000	0.000
174	A	92	ARG	1	0.735	0.965	18.173	0.317	0.317	0.000	0.000	0.000	0.000
175	A	93	GLU	0	0.106	-0.093	18.020	0.058	0.058	0.000	0.000	0.000	0.000
176	A	93	GLU	-1	-1.021	-0.857	17.155	-0.368	-0.368	0.000	0.000	0.000	0.000
177	A	94	GLY	0	-0.006	-0.100	16.844	-0.015	-0.015	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:4:ASP)