FMO DATABASE

FMODB ID: 7G34K

Calculation Name: 4KRD-B-Xray319

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4KRD

Chain ID: B

ChEMBL ID:

UniProt ID: P53124

Base Structure: X-ray

Registration Date: 2021-09-07

Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.

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. 1.20200129

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	192
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-2232225.464014
FMO2-HF: Nuclear repulsion	2155503.191427
FMO2-HF: Total energy	-76722.272587
FMO2-MP2: Total energy	-76944.354008

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(B:242:ACE )

Summations of interaction energy for fragment #1(B:242:ACE )

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.
0.856	1.909	-0.007	-0.463	-0.584	0

Interaction energy analysis for fragmet #1(B:242:ACE )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.029 / q_NPA : 0.008

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].
3	B	244	GLU	-1	-0.733	-0.822	3.814	0.276	1.250	-0.007	-0.444	-0.523
4	B	245	ASN	0	0.003	-0.011	7.035	-0.006	-0.006	0.000	0.000	0.000
5	B	246	PRO	0	0.068	0.032	9.214	-0.035	-0.035	0.000	0.000	0.000
6	B	247	LEU	0	0.014	0.012	11.474	0.011	0.011	0.000	0.000	0.000
7	B	248	LEU	0	-0.067	-0.039	10.924	0.038	0.038	0.000	0.000	0.000
8	B	249	HIS	1	0.812	0.890	9.163	0.733	0.733	0.000	0.000	0.000
9	B	250	GLY	0	0.035	0.021	13.631	0.056	0.056	0.000	0.000	0.000
10	B	251	ILE	0	-0.040	-0.001	15.350	0.040	0.040	0.000	0.000	0.000
11	B	252	PRO	0	0.072	0.038	14.877	-0.054	-0.054	0.000	0.000	0.000
12	B	253	VAL	0	-0.020	-0.037	11.928	0.007	0.007	0.000	0.000	0.000
13	B	254	ASP	-1	-0.897	-0.951	14.467	-0.154	-0.154	0.000	0.000	0.000
14	B	255	VAL	0	-0.071	-0.015	17.486	0.020	0.020	0.000	0.000	0.000
15	B	256	GLU	-1	-0.844	-0.913	19.524	-0.057	-0.057	0.000	0.000	0.000
16	B	257	VAL	0	-0.084	-0.056	21.486	-0.004	-0.004	0.000	0.000	0.000
17	B	258	PRO	0	-0.010	-0.014	22.200	0.002	0.002	0.000	0.000	0.000
18	B	259	HIS	0	0.021	0.024	25.398	0.010	0.010	0.000	0.000	0.000
19	B	260	ILE	0	-0.044	-0.024	26.338	0.000	0.000	0.000	0.000	0.000
20	B	261	SER	0	0.060	0.031	29.729	0.004	0.004	0.000	0.000	0.000
21	B	262	VAL	0	0.055	0.014	31.785	-0.002	-0.002	0.000	0.000	0.000
22	B	263	ASP	-1	-0.869	-0.932	32.930	-0.020	-0.020	0.000	0.000	0.000
23	B	264	GLU	-1	-0.884	-0.940	30.449	-0.052	-0.052	0.000	0.000	0.000
24	B	265	ALA	0	-0.024	-0.019	28.564	-0.003	-0.003	0.000	0.000	0.000
25	B	266	LEU	0	-0.037	-0.022	29.447	-0.001	-0.001	0.000	0.000	0.000
26	B	267	ALA	0	-0.013	-0.004	32.009	0.000	0.000	0.000	0.000	0.000
27	B	268	ASN	0	0.051	0.004	27.554	-0.001	-0.001	0.000	0.000	0.000
28	B	269	PHE	0	0.004	0.030	26.676	-0.001	-0.001	0.000	0.000	0.000
29	B	270	LYS	1	0.837	0.909	28.729	0.032	0.032	0.000	0.000	0.000
30	B	271	GLU	-1	-0.864	-0.951	30.742	-0.052	-0.052	0.000	0.000	0.000
31	B	272	THR	0	0.036	0.007	24.667	-0.005	-0.005	0.000	0.000	0.000
32	B	273	ILE	0	-0.030	-0.015	27.951	0.000	0.000	0.000	0.000	0.000
33	B	274	GLU	-1	-0.879	-0.938	29.471	-0.031	-0.031	0.000	0.000	0.000
34	B	275	LEU	0	0.013	-0.002	28.663	0.001	0.001	0.000	0.000	0.000
35	B	276	LEU	0	0.041	0.025	24.024	-0.001	-0.001	0.000	0.000	0.000
36	B	277	LEU	0	-0.058	-0.008	28.006	0.002	0.002	0.000	0.000	0.000
37	B	278	LYS	1	0.946	0.974	31.384	0.041	0.041	0.000	0.000	0.000
38	B	279	LEU	0	0.028	0.010	25.644	0.001	0.001	0.000	0.000	0.000
39	B	280	SER	0	-0.079	-0.050	28.669	0.001	0.001	0.000	0.000	0.000
40	B	281	GLY	0	-0.018	-0.004	29.958	0.003	0.003	0.000	0.000	0.000
41	B	282	ASN	0	0.009	0.012	31.103	0.004	0.004	0.000	0.000	0.000
42	B	283	ARG	1	0.926	1.002	23.561	0.078	0.078	0.000	0.000	0.000
43	B	284	LYS	1	0.946	0.971	29.582	0.028	0.028	0.000	0.000	0.000
44	B	285	CYS	0	-0.075	-0.022	24.598	-0.004	-0.004	0.000	0.000	0.000
45	B	286	THR	0	0.054	0.027	21.460	0.002	0.002	0.000	0.000	0.000
46	B	287	GLY	0	-0.046	-0.007	23.762	0.008	0.008	0.000	0.000	0.000
47	B	288	PHE	0	0.012	-0.005	20.627	-0.002	-0.002	0.000	0.000	0.000
48	B	289	ASN	0	0.013	-0.012	17.043	-0.014	-0.014	0.000	0.000	0.000
49	B	290	THR	0	-0.001	-0.015	19.633	0.005	0.005	0.000	0.000	0.000
50	B	291	ARG	1	0.846	0.903	22.355	-0.038	-0.038	0.000	0.000	0.000
51	B	292	VAL	0	0.091	0.048	22.687	-0.006	-0.006	0.000	0.000	0.000
52	B	293	GLU	-1	-0.731	-0.831	18.552	0.061	0.061	0.000	0.000	0.000
53	B	294	LYS	1	0.969	0.995	23.184	-0.030	-0.030	0.000	0.000	0.000
54	B	295	LYS	1	0.912	0.958	26.291	-0.040	-0.040	0.000	0.000	0.000
55	B	296	GLU	-1	-0.872	-0.939	24.149	0.056	0.056	0.000	0.000	0.000
56	B	297	TYR	0	0.030	-0.005	24.881	-0.004	-0.004	0.000	0.000	0.000
57	B	298	SER	0	-0.085	-0.047	26.959	-0.004	-0.004	0.000	0.000	0.000
58	B	299	ASN	0	-0.043	-0.038	29.140	-0.005	-0.005	0.000	0.000	0.000
59	B	300	PHE	0	0.014	-0.008	25.549	-0.002	-0.002	0.000	0.000	0.000
60	B	301	TYR	0	-0.015	0.004	31.137	-0.003	-0.003	0.000	0.000	0.000
61	B	302	MET	0	-0.056	-0.021	34.110	0.003	0.003	0.000	0.000	0.000
62	B	303	LYS	1	0.977	0.979	37.199	-0.008	-0.008	0.000	0.000	0.000
63	B	304	SER	0	0.039	0.034	40.484	-0.002	-0.002	0.000	0.000	0.000
64	B	305	LYS	1	0.999	0.995	39.676	0.008	0.008	0.000	0.000	0.000
65	B	306	PRO	0	-0.016	-0.014	38.732	0.001	0.001	0.000	0.000	0.000
66	B	307	THR	0	0.026	0.013	41.409	-0.001	-0.001	0.000	0.000	0.000
67	B	308	LEU	0	0.014	0.022	40.993	-0.001	-0.001	0.000	0.000	0.000
68	B	309	SER	0	0.017	0.008	40.407	0.000	0.000	0.000	0.000	0.000
69	B	310	SER	0	0.054	0.000	34.941	0.002	0.002	0.000	0.000	0.000
70	B	311	ALA	0	0.050	0.027	36.454	0.001	0.001	0.000	0.000	0.000
71	B	312	ASP	-1	-0.789	-0.900	37.899	-0.010	-0.010	0.000	0.000	0.000
72	B	313	PHE	0	-0.079	-0.033	34.550	0.002	0.002	0.000	0.000	0.000
73	B	314	LEU	0	0.028	-0.001	31.830	0.002	0.002	0.000	0.000	0.000
74	B	315	LYS	1	0.938	0.984	35.809	0.014	0.014	0.000	0.000	0.000
75	B	316	ARG	1	0.912	0.962	38.761	-0.003	-0.003	0.000	0.000	0.000
76	B	317	ILE	0	-0.053	-0.043	33.248	0.002	0.002	0.000	0.000	0.000
77	B	318	GLN	0	0.102	0.071	34.062	0.003	0.003	0.000	0.000	0.000
78	B	319	ASP	-1	-0.898	-0.936	36.361	-0.004	-0.004	0.000	0.000	0.000
79	B	320	LYS	1	0.844	0.926	38.810	-0.004	-0.004	0.000	0.000	0.000
80	B	321	CYS	0	-0.104	-0.043	34.418	0.003	0.003	0.000	0.000	0.000
81	B	322	GLU	-1	-0.908	-0.943	35.633	0.004	0.004	0.000	0.000	0.000
82	B	323	TYR	0	-0.046	-0.039	30.433	0.002	0.002	0.000	0.000	0.000
83	B	324	GLN	0	0.106	0.045	28.949	-0.004	-0.004	0.000	0.000	0.000
84	B	325	PRO	0	0.046	0.005	28.548	0.001	0.001	0.000	0.000	0.000
85	B	326	THR	0	0.039	0.010	23.237	-0.005	-0.005	0.000	0.000	0.000
86	B	327	VAL	0	0.026	0.034	24.301	0.000	0.000	0.000	0.000	0.000
87	B	328	TYR	0	0.011	-0.023	25.473	0.002	0.002	0.000	0.000	0.000
88	B	329	LEU	0	0.011	0.028	23.062	-0.003	-0.003	0.000	0.000	0.000
89	B	330	VAL	0	0.035	0.018	19.940	-0.008	-0.008	0.000	0.000	0.000
90	B	331	ALA	0	-0.020	-0.007	21.342	0.002	0.002	0.000	0.000	0.000
91	B	332	THR	0	-0.015	-0.033	23.365	0.001	0.001	0.000	0.000	0.000
92	B	333	PHE	0	0.049	0.021	14.176	-0.004	-0.004	0.000	0.000	0.000
93	B	334	LEU	0	-0.063	-0.025	18.427	-0.001	-0.001	0.000	0.000	0.000
94	B	335	ILE	0	-0.033	-0.018	20.179	0.003	0.003	0.000	0.000	0.000
95	B	336	ASP	-1	-0.800	-0.909	19.191	-0.085	-0.085	0.000	0.000	0.000
96	B	337	THR	0	-0.024	-0.026	14.801	-0.025	-0.025	0.000	0.000	0.000
97	B	338	LEU	0	-0.032	-0.007	17.035	0.008	0.008	0.000	0.000	0.000
98	B	339	PHE	0	-0.037	-0.036	19.548	0.002	0.002	0.000	0.000	0.000
99	B	340	LEU	0	0.027	0.031	19.206	-0.002	-0.002	0.000	0.000	0.000
100	B	341	THR	0	-0.012	-0.012	14.343	-0.016	-0.016	0.000	0.000	0.000
101	B	342	ARG	1	0.746	0.847	14.610	0.254	0.254	0.000	0.000	0.000
102	B	343	ASP	-1	-0.859	-0.922	14.811	-0.219	-0.219	0.000	0.000	0.000
103	B	344	GLY	0	-0.005	-0.017	14.856	-0.040	-0.040	0.000	0.000	0.000
104	B	345	ASN	0	-0.027	-0.008	15.936	-0.048	-0.048	0.000	0.000	0.000
105	B	346	ASN	0	0.013	-0.005	14.679	-0.026	-0.026	0.000	0.000	0.000
106	B	347	ILE	0	0.045	0.042	17.127	0.018	0.018	0.000	0.000	0.000
107	B	348	LEU	0	0.015	0.011	18.768	-0.005	-0.005	0.000	0.000	0.000
108	B	349	GLN	0	-0.034	-0.023	19.305	0.032	0.032	0.000	0.000	0.000
109	B	350	LEU	0	-0.019	-0.025	20.355	0.000	0.000	0.000	0.000	0.000
110	B	351	LYS	1	0.862	0.931	15.695	0.046	0.046	0.000	0.000	0.000
111	B	352	LEU	0	-0.016	-0.021	21.138	0.011	0.011	0.000	0.000	0.000
112	B	353	ASN	0	-0.035	-0.027	24.144	-0.003	-0.003	0.000	0.000	0.000
113	B	354	LEU	0	0.026	0.030	27.475	0.006	0.006	0.000	0.000	0.000
114	B	355	GLN	0	-0.046	-0.051	28.972	-0.003	-0.003	0.000	0.000	0.000
115	B	356	GLU	-1	-0.834	-0.939	32.592	-0.015	-0.015	0.000	0.000	0.000
116	B	357	LYS	1	0.792	0.882	35.113	0.003	0.003	0.000	0.000	0.000
117	B	358	GLU	-1	-0.796	-0.877	30.171	-0.001	-0.001	0.000	0.000	0.000
118	B	359	VAL	0	0.059	0.044	31.232	0.003	0.003	0.000	0.000	0.000
119	B	360	HIS	1	0.896	0.954	31.893	-0.001	-0.001	0.000	0.000	0.000
120	B	361	ARG	1	0.898	0.931	32.001	-0.013	-0.013	0.000	0.000	0.000
121	B	362	MET	0	0.045	0.044	25.677	0.005	0.005	0.000	0.000	0.000
122	B	363	ILE	0	0.011	0.013	28.058	0.002	0.002	0.000	0.000	0.000
123	B	364	ILE	0	-0.047	-0.025	29.691	0.002	0.002	0.000	0.000	0.000
124	B	365	ALA	0	-0.008	-0.004	26.693	0.003	0.003	0.000	0.000	0.000
125	B	366	ALA	0	0.037	0.016	24.795	0.005	0.005	0.000	0.000	0.000
126	B	367	VAL	0	0.025	0.013	25.258	0.001	0.001	0.000	0.000	0.000
127	B	368	ARG	1	0.827	0.934	27.355	-0.031	-0.031	0.000	0.000	0.000
128	B	369	LEU	0	0.007	-0.009	21.609	0.004	0.004	0.000	0.000	0.000
129	B	370	SER	0	-0.017	-0.031	22.707	0.007	0.007	0.000	0.000	0.000
130	B	371	THR	0	-0.013	-0.016	23.707	0.003	0.003	0.000	0.000	0.000
131	B	372	LYS	1	0.851	0.914	24.610	-0.051	-0.051	0.000	0.000	0.000
132	B	373	LEU	0	-0.062	-0.022	18.090	0.009	0.009	0.000	0.000	0.000
133	B	374	LEU	0	-0.078	-0.033	20.810	0.001	0.001	0.000	0.000	0.000
134	B	375	GLU	-1	-0.927	-0.960	23.167	0.017	0.017	0.000	0.000	0.000
135	B	376	ASP	-1	-0.894	-0.930	25.872	0.057	0.057	0.000	0.000	0.000
136	B	377	PHE	0	-0.065	-0.031	27.733	0.002	0.002	0.000	0.000	0.000
137	B	378	VAL	0	-0.003	0.007	28.049	-0.004	-0.004	0.000	0.000	0.000
138	B	379	HIS	0	0.061	0.044	31.211	0.002	0.002	0.000	0.000	0.000
139	B	380	SER	0	0.089	0.041	33.385	0.003	0.003	0.000	0.000	0.000
140	B	381	HIS	0	0.026	-0.017	32.166	-0.002	-0.002	0.000	0.000	0.000
141	B	382	GLU	-1	-0.967	-0.982	35.147	0.021	0.021	0.000	0.000	0.000
142	B	383	TYR	0	-0.028	-0.025	37.159	-0.001	-0.001	0.000	0.000	0.000
143	B	384	PHE	0	0.108	0.041	31.650	-0.001	-0.001	0.000	0.000	0.000
144	B	385	SER	0	-0.029	-0.037	35.985	-0.002	-0.002	0.000	0.000	0.000
145	B	386	LYS	1	0.935	0.970	37.445	-0.020	-0.020	0.000	0.000	0.000
146	B	387	VAL	0	0.012	0.028	37.308	-0.002	-0.002	0.000	0.000	0.000
147	B	388	CYS	0	-0.033	-0.007	35.024	-0.003	-0.003	0.000	0.000	0.000
148	B	389	GLY	0	-0.014	0.008	37.718	-0.001	-0.001	0.000	0.000	0.000
149	B	390	ILE	0	-0.056	-0.015	34.669	0.000	0.000	0.000	0.000	0.000
150	B	391	SER	0	0.019	0.002	38.981	0.002	0.002	0.000	0.000	0.000
151	B	392	LYS	1	1.036	1.002	36.737	-0.026	-0.026	0.000	0.000	0.000
152	B	393	ARG	1	0.973	1.001	35.300	-0.031	-0.031	0.000	0.000	0.000
153	B	394	LEU	0	-0.032	-0.021	34.084	0.003	0.003	0.000	0.000	0.000
154	B	395	LEU	0	0.068	0.033	31.463	0.001	0.001	0.000	0.000	0.000
155	B	396	THR	0	0.036	0.017	30.439	0.000	0.000	0.000	0.000	0.000
156	B	397	LYS	1	0.897	0.957	29.430	-0.029	-0.029	0.000	0.000	0.000
157	B	398	LEU	0	-0.025	-0.009	28.927	0.002	0.002	0.000	0.000	0.000
158	B	399	GLU	-1	-0.807	-0.899	26.511	0.049	0.049	0.000	0.000	0.000
159	B	400	VAL	0	0.024	0.011	24.688	0.004	0.004	0.000	0.000	0.000
160	B	401	SER	0	0.018	0.018	23.941	0.004	0.004	0.000	0.000	0.000
161	B	402	LEU	0	-0.009	0.008	22.105	0.000	0.000	0.000	0.000	0.000
162	B	403	LEU	0	0.033	0.014	19.155	0.001	0.001	0.000	0.000	0.000
163	B	404	ILE	0	-0.018	-0.018	19.132	0.012	0.012	0.000	0.000	0.000
164	B	405	CYS	0	-0.083	-0.046	19.112	0.003	0.003	0.000	0.000	0.000
165	B	406	VAL	0	0.027	0.031	17.015	-0.008	-0.008	0.000	0.000	0.000
166	B	407	CYS	0	-0.047	-0.006	15.159	0.011	0.011	0.000	0.000	0.000
167	B	408	ASN	0	0.030	0.021	12.850	0.041	0.041	0.000	0.000	0.000
168	B	409	THR	0	-0.077	-0.025	11.261	-0.019	-0.019	0.000	0.000	0.000
169	B	410	LYS	1	0.893	0.935	4.080	-0.382	-0.303	0.000	-0.019	-0.061
170	B	411	LEU	0	0.063	0.018	10.381	-0.074	-0.074	0.000	0.000	0.000
171	B	412	MET	0	-0.038	0.002	10.059	0.009	0.009	0.000	0.000	0.000
172	B	413	VAL	0	0.107	0.050	12.853	-0.050	-0.050	0.000	0.000	0.000
173	B	414	SER	0	0.003	-0.003	13.421	-0.010	-0.010	0.000	0.000	0.000
174	B	415	ASN	0	0.154	0.055	15.556	0.004	0.004	0.000	0.000	0.000
175	B	416	ARG	1	0.832	0.903	10.212	0.461	0.461	0.000	0.000	0.000
176	B	417	LYS	1	0.781	0.910	10.544	0.067	0.067	0.000	0.000	0.000
177	B	418	LEU	0	0.020	0.016	16.355	0.005	0.005	0.000	0.000	0.000
178	B	419	ALA	0	0.028	0.019	18.752	0.003	0.003	0.000	0.000	0.000
179	B	420	ALA	0	0.006	-0.013	16.825	0.002	0.002	0.000	0.000	0.000
180	B	421	SER	0	-0.046	-0.004	18.954	0.006	0.006	0.000	0.000	0.000
181	B	422	LYS	1	0.931	0.976	21.635	0.074	0.074	0.000	0.000	0.000
182	B	423	LEU	0	-0.032	-0.028	19.695	0.000	0.000	0.000	0.000	0.000
183	B	424	LEU	0	0.016	0.002	17.954	-0.005	-0.005	0.000	0.000	0.000
184	B	425	LEU	0	-0.006	0.024	22.142	0.005	0.005	0.000	0.000	0.000
185	B	426	ASN	0	0.011	0.000	25.586	0.012	0.012	0.000	0.000	0.000
186	B	427	GLU	-1	-0.770	-0.855	21.202	-0.176	-0.176	0.000	0.000	0.000
187	B	428	LEU	0	-0.017	-0.001	24.267	0.006	0.006	0.000	0.000	0.000
188	B	429	ARG	1	0.833	0.902	26.632	0.071	0.071	0.000	0.000	0.000
189	B	430	SER	0	-0.093	-0.047	27.638	0.004	0.004	0.000	0.000	0.000
190	B	431	PHE	0	-0.004	-0.006	24.513	0.001	0.001	0.000	0.000	0.000
191	B	432	CYS	0	-0.117	-0.039	29.952	0.006	0.006	0.000	0.000	0.000
192	B	433	NME	0	0.026	0.025	32.597	0.003	0.003	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(B:242:ACE )