FMO DATABASE

FMODB ID: 5341Z

Calculation Name: 3KEY-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3KEY

Chain ID: A

ChEMBL ID:

UniProt ID: P38960

Base Structure: X-ray

Registration Date: 2023-06-19

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	-1821224.403405
FMO2-HF: Nuclear repulsion	1750959.948546
FMO2-HF: Total energy	-70264.45486
FMO2-MP2: Total energy	-70470.066408

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:312:ARG)

Summations of interaction energy for fragment #1(A:312:ARG)

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.
75.559	81.649	1.123	-3.242	-3.971	-0.02

Interaction energy analysis for fragmet #1(A:312:ARG)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.981 / q_NPA : 0.975

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	314	SER	0	0.073	0.041	3.821	-4.098	-1.889	-0.022	-1.078	-1.110	-0.001
4	A	315	ALA	0	0.060	0.018	6.054	-2.732	-2.732	0.000	0.000	0.000	0.000
5	A	316	LYS	1	0.880	0.944	7.062	23.739	23.739	0.000	0.000	0.000	0.000
6	A	317	SER	0	0.060	0.015	7.351	2.278	2.278	0.000	0.000	0.000	0.000
7	A	318	ASN	0	-0.023	-0.007	2.574	-16.131	-12.901	0.740	-1.888	-2.081	-0.021
8	A	319	LEU	0	0.036	0.028	5.423	1.686	1.686	0.000	0.000	0.000	0.000
9	A	320	MET	0	-0.001	0.004	8.984	2.238	2.238	0.000	0.000	0.000	0.000
10	A	321	LEU	0	-0.045	-0.030	4.811	1.529	1.529	0.000	0.000	0.000	0.000
11	A	322	ILE	0	0.004	0.018	7.531	1.855	1.855	0.000	0.000	0.000	0.000
12	A	323	LEU	0	-0.020	-0.021	9.793	2.090	2.090	0.000	0.000	0.000	0.000
13	A	324	LEU	0	-0.047	-0.017	11.573	1.275	1.275	0.000	0.000	0.000	0.000
14	A	325	GLY	0	0.008	0.007	11.994	1.184	1.184	0.000	0.000	0.000	0.000
15	A	326	LEU	0	0.004	0.017	13.285	1.153	1.153	0.000	0.000	0.000	0.000
16	A	327	GLN	0	-0.007	0.004	15.878	1.178	1.178	0.000	0.000	0.000	0.000
17	A	328	MET	0	-0.001	-0.002	18.333	0.763	0.763	0.000	0.000	0.000	0.000
18	A	329	LYS	1	0.977	0.975	20.198	10.626	10.626	0.000	0.000	0.000	0.000
19	A	330	GLU	-1	-0.865	-0.928	21.807	-11.524	-11.524	0.000	0.000	0.000	0.000
20	A	331	ILE	0	0.005	0.004	17.608	-0.142	-0.142	0.000	0.000	0.000	0.000
21	A	332	SER	0	0.076	0.058	21.294	-0.197	-0.197	0.000	0.000	0.000	0.000
22	A	333	ASN	0	0.059	0.014	20.326	-1.175	-1.175	0.000	0.000	0.000	0.000
23	A	334	SER	0	-0.020	-0.023	20.127	-0.458	-0.458	0.000	0.000	0.000	0.000
24	A	335	ASP	-1	-0.899	-0.949	20.982	-13.051	-13.051	0.000	0.000	0.000	0.000
25	A	336	LEU	0	-0.018	-0.011	14.191	-0.734	-0.734	0.000	0.000	0.000	0.000
26	A	337	TYR	0	-0.027	-0.021	15.975	-1.215	-1.215	0.000	0.000	0.000	0.000
27	A	338	LYS	1	0.938	0.967	17.231	12.285	12.285	0.000	0.000	0.000	0.000
28	A	339	LEU	0	0.007	0.027	14.026	-0.117	-0.117	0.000	0.000	0.000	0.000
29	A	340	LYS	1	1.012	0.996	12.906	18.941	18.941	0.000	0.000	0.000	0.000
30	A	341	GLU	-1	-0.913	-0.972	8.065	-30.525	-30.525	0.000	0.000	0.000	0.000
31	A	342	VAL	0	0.022	0.016	9.429	-2.666	-2.666	0.000	0.000	0.000	0.000
32	A	343	ARG	1	0.909	0.963	11.438	16.806	16.806	0.000	0.000	0.000	0.000
33	A	344	SER	0	-0.029	0.001	8.491	0.277	0.277	0.000	0.000	0.000	0.000
34	A	345	VAL	0	-0.034	-0.013	6.220	-1.366	-1.366	0.000	0.000	0.000	0.000
35	A	346	VAL	0	-0.010	-0.008	8.325	0.320	0.320	0.000	0.000	0.000	0.000
36	A	347	THR	0	0.034	0.014	11.892	1.253	1.253	0.000	0.000	0.000	0.000
37	A	348	SER	0	-0.049	-0.020	7.234	1.590	1.590	0.000	0.000	0.000	0.000
38	A	349	LEU	0	-0.028	-0.015	10.131	0.610	0.610	0.000	0.000	0.000	0.000
39	A	350	ALA	0	0.058	0.028	11.527	1.215	1.215	0.000	0.000	0.000	0.000
40	A	351	SER	0	-0.050	-0.017	12.512	1.302	1.302	0.000	0.000	0.000	0.000
41	A	352	PHE	0	0.003	0.001	12.669	0.668	0.668	0.000	0.000	0.000	0.000
42	A	353	LEU	0	0.013	-0.007	14.666	0.877	0.877	0.000	0.000	0.000	0.000
43	A	354	PHE	0	-0.013	-0.014	17.458	0.987	0.987	0.000	0.000	0.000	0.000
44	A	355	GLN	0	-0.036	-0.027	16.743	0.618	0.618	0.000	0.000	0.000	0.000
45	A	356	GLN	0	-0.038	-0.011	17.560	0.223	0.223	0.000	0.000	0.000	0.000
46	A	357	GLN	0	0.002	0.036	20.405	0.873	0.873	0.000	0.000	0.000	0.000
47	A	358	ASN	0	0.021	0.014	23.535	-0.046	-0.046	0.000	0.000	0.000	0.000
48	A	359	VAL	0	0.095	0.036	26.591	0.028	0.028	0.000	0.000	0.000	0.000
49	A	360	GLY	0	-0.027	-0.013	29.384	0.203	0.203	0.000	0.000	0.000	0.000
50	A	361	VAL	0	-0.085	-0.035	26.228	0.183	0.183	0.000	0.000	0.000	0.000
51	A	362	MET	0	-0.008	-0.014	26.093	-0.524	-0.524	0.000	0.000	0.000	0.000
52	A	363	LYS	1	0.922	0.974	24.096	12.428	12.428	0.000	0.000	0.000	0.000
53	A	364	SER	0	0.032	0.013	24.364	-0.381	-0.381	0.000	0.000	0.000	0.000
54	A	365	PHE	0	0.077	0.016	15.561	-0.166	-0.166	0.000	0.000	0.000	0.000
55	A	366	ASP	-1	-0.872	-0.931	19.777	-13.653	-13.653	0.000	0.000	0.000	0.000
56	A	367	SER	0	-0.027	-0.020	20.983	-0.237	-0.237	0.000	0.000	0.000	0.000
57	A	368	LEU	0	0.008	0.010	18.644	-0.268	-0.268	0.000	0.000	0.000	0.000
58	A	369	GLU	-1	-0.859	-0.944	16.008	-17.776	-17.776	0.000	0.000	0.000	0.000
59	A	370	LYS	1	0.889	0.944	16.982	12.085	12.085	0.000	0.000	0.000	0.000
60	A	371	GLU	-1	-0.960	-0.971	19.343	-14.067	-14.067	0.000	0.000	0.000	0.000
61	A	372	ALA	0	0.035	0.014	13.932	-0.364	-0.364	0.000	0.000	0.000	0.000
62	A	373	PHE	0	-0.023	-0.023	14.783	-0.995	-0.995	0.000	0.000	0.000	0.000
63	A	374	ARG	1	0.981	0.990	15.852	13.632	13.632	0.000	0.000	0.000	0.000
64	A	375	ASP	-1	-0.874	-0.938	16.049	-16.262	-16.262	0.000	0.000	0.000	0.000
65	A	376	LEU	0	-0.100	-0.056	10.798	-0.673	-0.673	0.000	0.000	0.000	0.000
66	A	377	VAL	0	0.021	0.013	14.240	-0.328	-0.328	0.000	0.000	0.000	0.000
67	A	378	ASN	0	0.039	0.012	16.599	0.449	0.449	0.000	0.000	0.000	0.000
68	A	379	ARG	1	0.899	0.957	11.996	22.008	22.008	0.000	0.000	0.000	0.000
69	A	380	LEU	0	-0.008	-0.006	12.275	0.019	0.019	0.000	0.000	0.000	0.000
70	A	381	VAL	0	0.012	0.008	16.274	0.472	0.472	0.000	0.000	0.000	0.000
71	A	382	SER	0	-0.049	-0.018	19.729	0.666	0.666	0.000	0.000	0.000	0.000
72	A	383	GLN	0	-0.035	-0.009	15.050	-0.700	-0.700	0.000	0.000	0.000	0.000
73	A	384	GLY	0	0.070	0.023	19.572	0.092	0.092	0.000	0.000	0.000	0.000
74	A	385	LEU	0	-0.082	-0.032	14.076	0.040	0.040	0.000	0.000	0.000	0.000
75	A	386	ILE	0	-0.006	0.000	16.359	-0.188	-0.188	0.000	0.000	0.000	0.000
76	A	387	GLY	0	0.053	0.029	19.158	0.251	0.251	0.000	0.000	0.000	0.000
77	A	388	LEU	0	-0.031	0.005	22.387	-0.279	-0.279	0.000	0.000	0.000	0.000
78	A	389	LYS	1	0.906	0.947	24.408	11.632	11.632	0.000	0.000	0.000	0.000
79	A	390	ASP	-1	-0.820	-0.900	26.668	-9.546	-9.546	0.000	0.000	0.000	0.000
80	A	391	LYS	1	0.903	0.951	27.542	10.861	10.861	0.000	0.000	0.000	0.000
81	A	392	THR	0	-0.024	-0.002	28.984	-0.073	-0.073	0.000	0.000	0.000	0.000
82	A	393	SER	0	-0.035	-0.005	28.668	-0.138	-0.138	0.000	0.000	0.000	0.000
83	A	394	GLU	-1	-0.873	-0.940	24.473	-12.238	-12.238	0.000	0.000	0.000	0.000
84	A	395	THR	0	-0.023	-0.027	23.917	-0.679	-0.679	0.000	0.000	0.000	0.000
85	A	396	PHE	0	-0.041	-0.038	19.997	0.133	0.133	0.000	0.000	0.000	0.000
86	A	397	ASP	-1	-0.850	-0.950	21.983	-12.578	-12.578	0.000	0.000	0.000	0.000
87	A	398	LEU	0	-0.017	-0.029	16.859	-0.646	-0.646	0.000	0.000	0.000	0.000
88	A	399	LEU	0	-0.006	-0.009	19.132	-0.574	-0.574	0.000	0.000	0.000	0.000
89	A	400	PRO	0	-0.004	0.011	20.523	-0.157	-0.157	0.000	0.000	0.000	0.000
90	A	401	LEU	0	0.024	0.019	13.312	-0.254	-0.254	0.000	0.000	0.000	0.000
91	A	402	LYS	1	0.835	0.892	16.810	15.709	15.709	0.000	0.000	0.000	0.000
92	A	403	ASN	0	0.039	0.027	18.425	0.058	0.058	0.000	0.000	0.000	0.000
93	A	404	LEU	0	-0.023	-0.010	18.248	0.180	0.180	0.000	0.000	0.000	0.000
94	A	405	PHE	0	-0.015	-0.023	11.121	-0.656	-0.656	0.000	0.000	0.000	0.000
95	A	406	GLU	-1	-0.895	-0.926	17.035	-13.212	-13.212	0.000	0.000	0.000	0.000
96	A	407	TYR	0	-0.075	-0.037	20.078	0.627	0.627	0.000	0.000	0.000	0.000
97	A	408	ALA	0	0.006	-0.008	17.039	0.389	0.389	0.000	0.000	0.000	0.000
98	A	409	GLU	-1	-0.871	-0.949	16.146	-17.222	-17.222	0.000	0.000	0.000	0.000
99	A	410	LYS	1	0.925	0.961	18.905	12.713	12.713	0.000	0.000	0.000	0.000
100	A	411	ARG	1	0.905	0.967	21.130	12.640	12.640	0.000	0.000	0.000	0.000
101	A	412	ILE	0	0.059	0.013	15.802	0.394	0.394	0.000	0.000	0.000	0.000
102	A	413	SER	0	-0.016	-0.002	20.123	0.566	0.566	0.000	0.000	0.000	0.000
103	A	414	VAL	0	-0.020	-0.024	22.239	0.368	0.368	0.000	0.000	0.000	0.000
104	A	415	LEU	0	-0.001	-0.007	21.531	0.361	0.361	0.000	0.000	0.000	0.000
105	A	416	MET	0	0.019	0.018	18.881	0.042	0.042	0.000	0.000	0.000	0.000
106	A	417	LYS	1	0.911	0.967	23.101	11.882	11.882	0.000	0.000	0.000	0.000
107	A	418	LEU	0	-0.033	-0.001	26.482	0.391	0.391	0.000	0.000	0.000	0.000
108	A	419	GLN	0	-0.029	0.000	25.208	0.376	0.376	0.000	0.000	0.000	0.000
109	A	420	CYS	0	-0.037	-0.005	24.883	0.200	0.200	0.000	0.000	0.000	0.000
110	A	421	TYR	0	0.052	0.027	22.871	-0.585	-0.585	0.000	0.000	0.000	0.000
111	A	422	THR	0	0.034	0.016	21.942	-0.421	-0.421	0.000	0.000	0.000	0.000
112	A	423	GLY	0	0.003	0.008	22.521	0.550	0.550	0.000	0.000	0.000	0.000
113	A	424	THR	0	0.020	0.025	22.540	-0.413	-0.413	0.000	0.000	0.000	0.000
114	A	425	VAL	0	-0.096	-0.038	21.060	0.240	0.240	0.000	0.000	0.000	0.000
115	A	426	GLN	0	0.009	0.001	23.236	-0.133	-0.133	0.000	0.000	0.000	0.000
116	A	427	LEU	0	0.006	-0.012	22.647	-0.148	-0.148	0.000	0.000	0.000	0.000
117	A	428	SER	0	0.055	0.021	24.996	-0.068	-0.068	0.000	0.000	0.000	0.000
118	A	429	HIS	0	0.001	0.004	27.427	0.086	0.086	0.000	0.000	0.000	0.000
119	A	430	VAL	0	-0.030	-0.010	22.317	0.019	0.019	0.000	0.000	0.000	0.000
120	A	431	GLN	0	-0.048	-0.035	25.622	0.318	0.318	0.000	0.000	0.000	0.000
121	A	432	GLU	-1	-0.909	-0.945	27.384	-9.366	-9.366	0.000	0.000	0.000	0.000
122	A	433	LYS	1	0.892	0.953	27.382	10.624	10.624	0.000	0.000	0.000	0.000
123	A	434	LEU	0	-0.059	-0.044	22.968	0.011	0.011	0.000	0.000	0.000	0.000
124	A	435	HIS	0	0.039	0.037	27.130	-0.035	-0.035	0.000	0.000	0.000	0.000
125	A	436	LEU	0	-0.043	-0.019	22.559	-0.193	-0.193	0.000	0.000	0.000	0.000
126	A	437	PRO	0	0.032	-0.006	26.155	-0.317	-0.317	0.000	0.000	0.000	0.000
127	A	438	TYR	0	-0.012	-0.011	24.654	-0.031	-0.031	0.000	0.000	0.000	0.000
128	A	439	ILE	0	-0.027	0.030	20.219	-0.507	-0.507	0.000	0.000	0.000	0.000
129	A	440	THR	0	0.061	0.026	19.946	0.196	0.196	0.000	0.000	0.000	0.000
130	A	441	THR	0	0.053	0.016	20.005	-0.582	-0.582	0.000	0.000	0.000	0.000
131	A	442	ASN	0	0.012	-0.002	15.729	-0.817	-0.817	0.000	0.000	0.000	0.000
132	A	443	GLY	0	0.010	0.018	15.132	-1.266	-1.266	0.000	0.000	0.000	0.000
133	A	444	ILE	0	0.039	0.011	15.722	-0.929	-0.929	0.000	0.000	0.000	0.000
134	A	445	VAL	0	0.008	0.008	12.455	-0.580	-0.580	0.000	0.000	0.000	0.000
135	A	446	ASP	-1	-0.871	-0.945	11.131	-25.958	-25.958	0.000	0.000	0.000	0.000
136	A	447	VAL	0	-0.010	0.005	11.269	-1.705	-1.705	0.000	0.000	0.000	0.000
137	A	448	PHE	0	0.057	0.009	13.082	-0.361	-0.361	0.000	0.000	0.000	0.000
138	A	449	LYS	1	0.945	0.983	8.499	24.212	24.212	0.000	0.000	0.000	0.000
139	A	450	GLU	-1	-0.898	-0.960	6.540	-39.698	-39.698	0.000	0.000	0.000	0.000
140	A	451	CYS	0	-0.013	0.010	9.581	-0.058	-0.058	0.000	0.000	0.000	0.000
141	A	452	LEU	0	0.042	0.022	12.096	0.498	0.498	0.000	0.000	0.000	0.000
142	A	453	LYS	1	0.878	0.955	2.560	49.803	50.454	0.405	-0.276	-0.780	0.002
143	A	454	ARG	1	0.908	0.945	8.725	26.525	26.525	0.000	0.000	0.000	0.000
144	A	455	THR	0	0.037	0.015	11.427	1.194	1.194	0.000	0.000	0.000	0.000
145	A	456	LYS	1	0.928	0.969	10.570	21.152	21.152	0.000	0.000	0.000	0.000
146	A	457	LYS	1	0.878	0.935	6.828	33.789	33.789	0.000	0.000	0.000	0.000
147	A	458	GLN	0	-0.037	-0.020	12.582	0.977	0.977	0.000	0.000	0.000	0.000
148	A	459	TYR	0	0.010	0.022	15.973	1.173	1.173	0.000	0.000	0.000	0.000
149	A	460	PRO	0	0.004	0.014	15.669	0.225	0.225	0.000	0.000	0.000	0.000
150	A	461	GLU	-1	-0.901	-0.951	17.149	-13.710	-13.710	0.000	0.000	0.000	0.000
151	A	462	VAL	0	-0.008	-0.011	19.653	0.591	0.591	0.000	0.000	0.000	0.000
152	A	463	LEU	0	-0.007	-0.010	14.355	0.174	0.174	0.000	0.000	0.000	0.000
153	A	464	LYS	1	0.939	0.987	16.116	12.858	12.858	0.000	0.000	0.000	0.000
154	A	465	ASN	0	-0.120	-0.090	13.716	-2.236	-2.236	0.000	0.000	0.000	0.000
155	A	466	TRP	0	0.018	0.016	8.555	0.371	0.371	0.000	0.000	0.000	0.000
156	A	467	TRP	0	0.006	0.002	12.955	-1.021	-1.021	0.000	0.000	0.000	0.000
157	A	468	ILE	0	-0.070	-0.037	13.108	0.300	0.300	0.000	0.000	0.000	0.000
158	A	469	ASP	-1	-0.808	-0.876	15.020	-15.002	-15.002	0.000	0.000	0.000	0.000
159	A	470	LEU	0	-0.077	-0.049	17.191	-0.109	-0.109	0.000	0.000	0.000	0.000
160	A	471	ASP	-1	-0.860	-0.934	19.683	-11.943	-11.943	0.000	0.000	0.000	0.000
161	A	480	ASN	0	0.008	-0.018	22.894	-0.162	-0.162	0.000	0.000	0.000	0.000
162	A	481	SER	0	0.040	0.020	24.060	0.001	0.001	0.000	0.000	0.000	0.000
163	A	482	GLY	0	0.019	-0.006	23.051	0.174	0.174	0.000	0.000	0.000	0.000
164	A	483	ILE	0	-0.069	-0.007	17.388	-0.328	-0.328	0.000	0.000	0.000	0.000
165	A	484	LEU	0	0.062	0.036	19.647	0.427	0.427	0.000	0.000	0.000	0.000
166	A	485	LEU	0	-0.074	-0.047	16.990	-0.849	-0.849	0.000	0.000	0.000	0.000
167	A	486	HIS	0	0.003	-0.003	17.588	0.897	0.897	0.000	0.000	0.000	0.000
168	A	487	LEU	0	-0.056	-0.046	17.210	-1.142	-1.142	0.000	0.000	0.000	0.000
169	A	488	GLU	-1	-0.821	-0.909	18.048	-13.441	-13.441	0.000	0.000	0.000	0.000
170	A	489	TYR	0	-0.018	-0.045	18.723	-0.758	-0.758	0.000	0.000	0.000	0.000
171	A	490	ALA	0	-0.064	-0.021	19.531	0.157	0.157	0.000	0.000	0.000	0.000
172	A	491	ALA	0	0.033	-0.001	21.276	0.355	0.355	0.000	0.000	0.000	0.000
173	A	492	ALA	0	-0.028	-0.006	23.943	0.336	0.336	0.000	0.000	0.000	0.000
174	A	493	TYR	0	-0.031	-0.016	23.839	0.370	0.370	0.000	0.000	0.000	0.000
175	A	494	SER	0	-0.025	0.004	25.621	0.322	0.322	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:312:ARG)