FMO DATABASE

FMODB ID: 2N7YR

Calculation Name: 2QKO-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2QKO

Chain ID: A

ChEMBL ID:

UniProt ID: Q0S912

Base Structure: X-ray

Registration Date: 2023-09-20

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	OptAll
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	174
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1699438.349807
FMO2-HF: Nuclear repulsion	1632164.708015
FMO2-HF: Total energy	-67273.641792
FMO2-MP2: Total energy	-67472.48798

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:5:PRO)

Summations of interaction energy for fragment #1(A:5: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.
-16.045	-14.655	9.474	-5.007	-5.856	0.025

Interaction energy analysis for fragmet #1(A:5:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.017 / q_NPA : 0.004

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	7	ARG	1	0.945	0.968	2.976	-1.526	0.647	0.013	-0.978	-1.208	0.000
4	A	8	ARG	1	0.929	0.975	2.893	-2.911	-1.406	0.112	-0.492	-1.125	0.002
5	A	9	ALA	0	0.039	0.019	5.009	-0.861	-0.702	-0.001	-0.021	-0.136	0.000
6	A	10	ALA	0	-0.009	0.005	6.943	-0.049	-0.049	0.000	0.000	0.000	0.000
7	A	11	LEU	0	0.002	-0.006	7.365	-0.093	-0.093	0.000	0.000	0.000	0.000
8	A	12	VAL	0	0.010	0.004	8.668	-0.139	-0.139	0.000	0.000	0.000	0.000
9	A	13	ASN	0	-0.003	-0.001	10.748	-0.137	-0.137	0.000	0.000	0.000	0.000
10	A	14	ALA	0	0.049	0.035	12.813	-0.046	-0.046	0.000	0.000	0.000	0.000
11	A	15	ALA	0	-0.017	-0.018	13.626	-0.048	-0.048	0.000	0.000	0.000	0.000
12	A	16	ILE	0	0.002	-0.001	13.925	-0.056	-0.056	0.000	0.000	0.000	0.000
13	A	17	GLU	-1	-0.753	-0.867	16.787	0.102	0.102	0.000	0.000	0.000	0.000
14	A	18	VAL	0	0.010	0.003	18.409	-0.020	-0.020	0.000	0.000	0.000	0.000
15	A	19	LEU	0	-0.075	-0.041	17.468	-0.026	-0.026	0.000	0.000	0.000	0.000
16	A	20	ALA	0	0.006	0.004	20.884	-0.023	-0.023	0.000	0.000	0.000	0.000
17	A	21	ARG	1	0.714	0.850	21.294	-0.243	-0.243	0.000	0.000	0.000	0.000
18	A	22	GLU	-1	-0.836	-0.903	23.719	0.207	0.207	0.000	0.000	0.000	0.000
19	A	23	GLY	0	0.010	0.012	23.560	-0.013	-0.013	0.000	0.000	0.000	0.000
20	A	24	ALA	0	-0.034	-0.031	22.144	0.025	0.025	0.000	0.000	0.000	0.000
21	A	25	ARG	1	0.749	0.838	22.941	-0.143	-0.143	0.000	0.000	0.000	0.000
22	A	26	GLY	0	0.022	0.019	24.064	0.003	0.003	0.000	0.000	0.000	0.000
23	A	27	LEU	0	0.018	0.024	16.391	0.033	0.033	0.000	0.000	0.000	0.000
24	A	28	THR	0	-0.020	-0.015	19.454	0.021	0.021	0.000	0.000	0.000	0.000
25	A	29	PHE	0	0.039	0.017	14.561	0.002	0.002	0.000	0.000	0.000	0.000
26	A	30	ARG	1	0.964	0.976	16.968	-0.311	-0.311	0.000	0.000	0.000	0.000
27	A	31	ALA	0	0.049	0.038	19.571	-0.013	-0.013	0.000	0.000	0.000	0.000
28	A	32	VAL	0	0.010	0.001	13.205	-0.003	-0.003	0.000	0.000	0.000	0.000
29	A	33	ASP	-1	-0.741	-0.886	14.103	0.892	0.892	0.000	0.000	0.000	0.000
30	A	34	VAL	0	-0.045	-0.020	15.619	-0.028	-0.028	0.000	0.000	0.000	0.000
31	A	35	GLU	-1	-0.822	-0.881	16.824	0.221	0.221	0.000	0.000	0.000	0.000
32	A	36	ALA	0	-0.034	-0.001	12.094	0.000	0.000	0.000	0.000	0.000	0.000
33	A	37	ASN	0	-0.015	-0.023	11.051	-0.005	-0.005	0.000	0.000	0.000	0.000
34	A	38	VAL	0	-0.051	-0.039	9.203	-0.027	-0.027	0.000	0.000	0.000	0.000
35	A	39	PRO	0	0.058	0.042	12.609	0.125	0.125	0.000	0.000	0.000	0.000
36	A	40	LYS	1	0.897	0.947	14.417	-0.422	-0.422	0.000	0.000	0.000	0.000
37	A	41	GLY	0	0.002	0.014	14.959	-0.066	-0.066	0.000	0.000	0.000	0.000
38	A	42	THR	0	-0.065	-0.043	8.929	0.061	0.061	0.000	0.000	0.000	0.000
39	A	43	ALA	0	0.018	0.001	10.681	0.304	0.304	0.000	0.000	0.000	0.000
40	A	44	SER	0	-0.033	-0.027	11.839	0.077	0.077	0.000	0.000	0.000	0.000
41	A	45	ASN	0	-0.073	-0.035	10.781	-0.165	-0.165	0.000	0.000	0.000	0.000
42	A	46	TYR	0	-0.046	-0.037	1.985	-11.018	-13.465	9.350	-3.516	-3.387	0.023
43	A	47	PHE	0	-0.007	0.002	8.270	0.225	0.225	0.000	0.000	0.000	0.000
44	A	48	PRO	0	0.010	0.015	10.789	-0.169	-0.169	0.000	0.000	0.000	0.000
45	A	49	SER	0	0.022	0.012	13.932	-0.136	-0.136	0.000	0.000	0.000	0.000
46	A	50	ARG	1	0.912	0.936	15.421	-0.270	-0.270	0.000	0.000	0.000	0.000
47	A	51	ASP	-1	-0.837	-0.908	17.340	0.308	0.308	0.000	0.000	0.000	0.000
48	A	52	ASP	-1	-0.885	-0.943	11.880	0.956	0.956	0.000	0.000	0.000	0.000
49	A	53	LEU	0	0.010	0.006	12.502	0.029	0.029	0.000	0.000	0.000	0.000
50	A	54	PHE	0	-0.021	-0.021	13.583	-0.034	-0.034	0.000	0.000	0.000	0.000
51	A	55	ASP	-1	-0.837	-0.894	14.555	0.260	0.260	0.000	0.000	0.000	0.000
52	A	56	GLN	0	0.025	0.015	7.555	-0.031	-0.031	0.000	0.000	0.000	0.000
53	A	57	VAL	0	-0.010	-0.010	11.637	-0.087	-0.087	0.000	0.000	0.000	0.000
54	A	58	GLY	0	0.023	0.007	13.618	-0.080	-0.080	0.000	0.000	0.000	0.000
55	A	59	LYS	1	0.837	0.917	12.326	-0.068	-0.068	0.000	0.000	0.000	0.000
56	A	60	ARG	1	0.787	0.849	6.762	0.223	0.223	0.000	0.000	0.000	0.000
57	A	61	ILE	0	-0.017	0.003	12.264	-0.056	-0.056	0.000	0.000	0.000	0.000
58	A	62	HIS	0	0.019	-0.013	15.612	-0.030	-0.030	0.000	0.000	0.000	0.000
59	A	63	GLU	-1	-0.809	-0.848	11.190	-0.320	-0.320	0.000	0.000	0.000	0.000
60	A	64	ARG	1	0.747	0.852	15.347	-0.108	-0.108	0.000	0.000	0.000	0.000
61	A	65	LEU	0	-0.016	0.014	17.247	0.010	0.010	0.000	0.000	0.000	0.000
62	A	81	ASN	0	-0.016	-0.033	37.209	-0.001	-0.001	0.000	0.000	0.000	0.000
63	A	82	LEU	0	0.009	0.007	38.451	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	83	GLU	-1	-0.839	-0.924	39.388	-0.041	-0.041	0.000	0.000	0.000	0.000
65	A	84	LEU	0	0.056	0.038	33.734	0.000	0.000	0.000	0.000	0.000	0.000
66	A	85	ALA	0	-0.007	-0.002	34.690	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	86	ILE	0	-0.029	-0.013	35.179	0.003	0.003	0.000	0.000	0.000	0.000
68	A	87	GLU	-1	-0.884	-0.944	35.606	-0.048	-0.048	0.000	0.000	0.000	0.000
69	A	88	TYR	0	-0.053	-0.017	26.771	-0.003	-0.003	0.000	0.000	0.000	0.000
70	A	89	MET	0	-0.014	-0.008	31.219	0.002	0.002	0.000	0.000	0.000	0.000
71	A	90	GLN	0	-0.005	-0.019	32.718	0.002	0.002	0.000	0.000	0.000	0.000
72	A	91	GLY	0	0.027	0.017	31.678	0.003	0.003	0.000	0.000	0.000	0.000
73	A	92	LEU	0	-0.069	-0.037	25.721	-0.001	-0.001	0.000	0.000	0.000	0.000
74	A	93	PHE	0	-0.012	-0.015	28.740	0.005	0.005	0.000	0.000	0.000	0.000
75	A	94	GLY	0	0.039	0.023	31.361	0.006	0.006	0.000	0.000	0.000	0.000
76	A	95	ARG	1	0.765	0.856	21.762	0.074	0.074	0.000	0.000	0.000	0.000
77	A	96	ILE	0	0.015	0.024	26.542	0.004	0.004	0.000	0.000	0.000	0.000
78	A	97	THR	0	0.007	-0.009	26.917	0.010	0.010	0.000	0.000	0.000	0.000
79	A	98	ARG	1	0.901	0.963	22.283	0.050	0.050	0.000	0.000	0.000	0.000
80	A	99	ASP	-1	-0.801	-0.883	22.197	-0.031	-0.031	0.000	0.000	0.000	0.000
81	A	100	ARG	1	0.907	0.966	22.851	-0.047	-0.047	0.000	0.000	0.000	0.000
82	A	101	THR	0	-0.017	-0.003	19.357	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	102	GLY	0	0.038	0.021	19.419	0.022	0.022	0.000	0.000	0.000	0.000
84	A	103	TYR	0	0.059	0.004	20.294	0.014	0.014	0.000	0.000	0.000	0.000
85	A	104	LEU	0	0.006	0.006	23.662	0.006	0.006	0.000	0.000	0.000	0.000
86	A	105	ALA	0	0.016	0.010	19.137	0.011	0.011	0.000	0.000	0.000	0.000
87	A	106	LEU	0	-0.008	-0.001	20.822	0.017	0.017	0.000	0.000	0.000	0.000
88	A	107	GLN	0	0.029	0.018	21.818	0.001	0.001	0.000	0.000	0.000	0.000
89	A	108	GLU	-1	-0.736	-0.846	23.040	0.169	0.169	0.000	0.000	0.000	0.000
90	A	109	LEU	0	-0.011	-0.006	17.474	0.014	0.014	0.000	0.000	0.000	0.000
91	A	110	ARG	1	0.879	0.942	21.874	-0.056	-0.056	0.000	0.000	0.000	0.000
92	A	111	LEU	0	0.015	0.004	25.028	-0.001	-0.001	0.000	0.000	0.000	0.000
93	A	112	GLU	-1	-0.819	-0.899	22.192	0.226	0.226	0.000	0.000	0.000	0.000
94	A	113	ALA	0	0.010	0.019	23.152	0.005	0.005	0.000	0.000	0.000	0.000
95	A	114	VAL	0	-0.020	-0.001	24.469	-0.008	-0.008	0.000	0.000	0.000	0.000
96	A	115	ARG	1	0.832	0.900	26.501	-0.169	-0.169	0.000	0.000	0.000	0.000
97	A	116	ARG	1	0.795	0.889	20.670	-0.281	-0.281	0.000	0.000	0.000	0.000
98	A	117	PRO	0	0.003	-0.008	23.432	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	118	GLU	-1	-0.818	-0.889	18.713	0.164	0.164	0.000	0.000	0.000	0.000
100	A	119	LEU	0	0.018	0.019	18.141	-0.010	-0.010	0.000	0.000	0.000	0.000
101	A	120	ARG	1	0.867	0.929	19.972	-0.141	-0.141	0.000	0.000	0.000	0.000
102	A	121	THR	0	-0.016	-0.010	21.068	-0.026	-0.026	0.000	0.000	0.000	0.000
103	A	122	THR	0	-0.056	-0.060	15.561	-0.049	-0.049	0.000	0.000	0.000	0.000
104	A	123	LEU	0	0.015	0.016	18.934	-0.025	-0.025	0.000	0.000	0.000	0.000
105	A	124	THR	0	-0.037	-0.030	20.311	-0.025	-0.025	0.000	0.000	0.000	0.000
106	A	125	ARG	1	0.893	0.970	19.133	-0.113	-0.113	0.000	0.000	0.000	0.000
107	A	126	THR	0	0.037	0.012	17.233	-0.028	-0.028	0.000	0.000	0.000	0.000
108	A	127	ILE	0	-0.004	0.007	19.531	-0.021	-0.021	0.000	0.000	0.000	0.000
109	A	128	SER	0	-0.032	-0.026	22.926	-0.012	-0.012	0.000	0.000	0.000	0.000
110	A	129	GLU	-1	-0.922	-0.962	18.645	-0.055	-0.055	0.000	0.000	0.000	0.000
111	A	130	ASN	0	-0.049	-0.031	21.152	-0.026	-0.026	0.000	0.000	0.000	0.000
112	A	131	LEU	0	0.059	0.040	23.057	-0.006	-0.006	0.000	0.000	0.000	0.000
113	A	132	LYS	1	0.916	0.957	25.200	0.038	0.038	0.000	0.000	0.000	0.000
114	A	133	ARG	1	0.859	0.922	18.978	0.097	0.097	0.000	0.000	0.000	0.000
115	A	134	ASP	-1	-0.818	-0.902	25.701	-0.061	-0.061	0.000	0.000	0.000	0.000
116	A	135	ILE	0	-0.055	-0.038	27.941	0.001	0.001	0.000	0.000	0.000	0.000
117	A	136	GLY	0	-0.015	-0.003	29.448	0.001	0.001	0.000	0.000	0.000	0.000
118	A	137	PHE	0	0.041	0.016	27.745	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	138	HIS	0	-0.022	-0.026	29.825	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	139	LEU	0	-0.052	-0.014	33.090	0.002	0.002	0.000	0.000	0.000	0.000
121	A	140	ASP	-1	-0.912	-0.957	30.929	-0.077	-0.077	0.000	0.000	0.000	0.000
122	A	141	SER	0	-0.101	-0.060	32.886	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	142	GLY	0	-0.021	-0.008	34.371	0.000	0.000	0.000	0.000	0.000	0.000
124	A	143	LEU	0	-0.057	-0.016	34.873	0.004	0.004	0.000	0.000	0.000	0.000
125	A	144	PRO	0	-0.002	0.010	38.534	0.001	0.001	0.000	0.000	0.000	0.000
126	A	145	GLY	0	0.072	0.031	39.369	0.000	0.000	0.000	0.000	0.000	0.000
127	A	146	ASP	-1	-0.775	-0.875	38.716	-0.020	-0.020	0.000	0.000	0.000	0.000
128	A	147	ARG	1	0.939	0.961	33.083	0.016	0.016	0.000	0.000	0.000	0.000
129	A	148	SER	0	-0.043	-0.050	35.579	0.002	0.002	0.000	0.000	0.000	0.000
130	A	149	THR	0	0.000	0.005	36.777	0.002	0.002	0.000	0.000	0.000	0.000
131	A	150	VAL	0	0.027	0.021	31.134	0.002	0.002	0.000	0.000	0.000	0.000
132	A	151	LEU	0	-0.047	-0.023	32.411	0.003	0.003	0.000	0.000	0.000	0.000
133	A	152	MET	0	-0.011	0.009	34.158	0.004	0.004	0.000	0.000	0.000	0.000
134	A	153	LEU	0	0.038	0.016	33.505	0.003	0.003	0.000	0.000	0.000	0.000
135	A	154	TYR	0	0.029	0.016	25.859	0.007	0.007	0.000	0.000	0.000	0.000
136	A	155	LEU	0	-0.023	-0.012	31.173	0.006	0.006	0.000	0.000	0.000	0.000
137	A	156	ALA	0	0.009	0.013	33.261	0.005	0.005	0.000	0.000	0.000	0.000
138	A	157	MET	0	0.039	0.020	31.145	0.004	0.004	0.000	0.000	0.000	0.000
139	A	158	ASN	0	-0.079	-0.056	27.741	0.011	0.011	0.000	0.000	0.000	0.000
140	A	159	ALA	0	-0.011	-0.001	30.446	0.006	0.006	0.000	0.000	0.000	0.000
141	A	160	LEU	0	0.024	0.017	33.642	0.004	0.004	0.000	0.000	0.000	0.000
142	A	161	ILE	0	0.008	-0.006	27.418	0.002	0.002	0.000	0.000	0.000	0.000
143	A	162	VAL	0	-0.012	-0.023	28.907	0.006	0.006	0.000	0.000	0.000	0.000
144	A	163	GLU	-1	-0.865	-0.922	31.035	0.039	0.039	0.000	0.000	0.000	0.000
145	A	164	HIS	0	0.037	0.016	32.139	0.003	0.003	0.000	0.000	0.000	0.000
146	A	165	LEU	0	-0.058	-0.030	27.049	0.003	0.003	0.000	0.000	0.000	0.000
147	A	166	THR	0	-0.105	-0.071	30.720	0.008	0.008	0.000	0.000	0.000	0.000
148	A	167	LEU	0	-0.014	0.003	33.037	0.003	0.003	0.000	0.000	0.000	0.000
149	A	168	PRO	0	0.034	0.019	34.950	-0.004	-0.004	0.000	0.000	0.000	0.000
150	A	169	GLY	0	0.028	0.020	37.418	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	170	VAL	0	-0.043	-0.022	39.663	-0.003	-0.003	0.000	0.000	0.000	0.000
152	A	171	LEU	0	-0.035	-0.035	36.722	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	172	GLU	-1	-0.958	-0.958	40.803	0.018	0.018	0.000	0.000	0.000	0.000
154	A	173	GLY	0	-0.019	-0.004	42.665	-0.002	-0.002	0.000	0.000	0.000	0.000
155	A	174	VAL	0	-0.068	-0.033	41.958	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	175	ASP	-1	-0.793	-0.887	42.405	-0.008	-0.008	0.000	0.000	0.000	0.000
157	A	176	THR	0	0.012	-0.012	38.020	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	177	GLU	-1	-0.926	-0.946	39.041	-0.022	-0.022	0.000	0.000	0.000	0.000
159	A	178	ARG	1	0.872	0.921	40.083	0.003	0.003	0.000	0.000	0.000	0.000
160	A	179	LEU	0	-0.027	-0.001	39.763	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	180	VAL	0	0.014	-0.001	35.746	0.000	0.000	0.000	0.000	0.000	0.000
162	A	181	ALA	0	0.051	0.032	38.675	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	182	ASP	-1	-0.799	-0.877	41.225	-0.009	-0.009	0.000	0.000	0.000	0.000
164	A	183	LEU	0	-0.051	-0.020	36.281	0.000	0.000	0.000	0.000	0.000	0.000
165	A	184	VAL	0	0.013	-0.001	36.582	0.000	0.000	0.000	0.000	0.000	0.000
166	A	185	THR	0	-0.025	-0.032	39.336	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	186	ARG	1	0.785	0.873	42.972	0.007	0.007	0.000	0.000	0.000	0.000
168	A	187	ALA	0	0.001	0.001	38.756	0.001	0.001	0.000	0.000	0.000	0.000
169	A	188	VAL	0	-0.008	0.005	39.170	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	189	ALA	0	-0.026	0.005	41.424	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	190	THR	0	-0.019	-0.018	42.754	0.001	0.001	0.000	0.000	0.000	0.000
172	A	191	PRO	0	-0.025	-0.003	45.450	0.000	0.000	0.000	0.000	0.000	0.000
173	A	192	ASP	-1	-0.878	-0.942	47.961	-0.011	-0.011	0.000	0.000	0.000	0.000
174	A	193	ALA	0	-0.107	-0.047	47.363	0.003	0.003	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:5:PRO)