FMO DATABASE

FMODB ID: 98LV2

Calculation Name: 4XCM-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4XCM

Chain ID: A

ChEMBL ID:

UniProt ID: Q5SLM7

Base Structure: X-ray

Registration Date: 2023-09-22

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	175
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1625019.373221
FMO2-HF: Nuclear repulsion	1558651.856587
FMO2-HF: Total energy	-66367.516635
FMO2-MP2: Total energy	-66564.508434

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:17:ALA)

Summations of interaction energy for fragment #1(A:17:ALA)

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.
-1.3	2.795	0.452	-2.027	-2.519	-0.003

Interaction energy analysis for fragmet #1(A:17:ALA)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.024 / q_NPA : 0.002

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	19	TYR	0	-0.040	-0.030	3.864	1.169	2.981	-0.023	-1.053	-0.736	0.001
4	A	20	THR	0	-0.004	-0.010	6.775	-0.331	-0.331	0.000	0.000	0.000	0.000
5	A	21	VAL	0	-0.016	0.007	10.615	0.043	0.043	0.000	0.000	0.000	0.000
6	A	22	ALA	0	0.065	0.041	13.303	0.021	0.021	0.000	0.000	0.000	0.000
7	A	23	PRO	0	-0.017	-0.025	15.619	-0.043	-0.043	0.000	0.000	0.000	0.000
8	A	24	GLY	0	0.029	0.015	19.396	0.008	0.008	0.000	0.000	0.000	0.000
9	A	25	ASP	-1	-0.790	-0.860	13.263	0.066	0.066	0.000	0.000	0.000	0.000
10	A	26	THR	0	-0.033	-0.025	15.448	-0.029	-0.029	0.000	0.000	0.000	0.000
11	A	27	LEU	0	0.059	0.019	13.593	-0.009	-0.009	0.000	0.000	0.000	0.000
12	A	28	TYR	0	0.012	0.005	13.789	-0.036	-0.036	0.000	0.000	0.000	0.000
13	A	29	SER	0	-0.028	-0.023	14.689	-0.028	-0.028	0.000	0.000	0.000	0.000
14	A	30	ILE	0	0.021	0.017	8.868	0.009	0.009	0.000	0.000	0.000	0.000
15	A	31	ALA	0	-0.005	0.001	9.820	-0.062	-0.062	0.000	0.000	0.000	0.000
16	A	32	ARG	1	0.835	0.888	11.101	0.008	0.008	0.000	0.000	0.000	0.000
17	A	33	ARG	1	0.847	0.914	9.075	-0.282	-0.282	0.000	0.000	0.000	0.000
18	A	34	TYR	0	-0.058	-0.036	6.167	0.230	0.230	0.000	0.000	0.000	0.000
19	A	35	GLY	0	-0.004	0.018	8.184	-0.176	-0.176	0.000	0.000	0.000	0.000
20	A	36	THR	0	0.013	0.006	8.817	0.011	0.011	0.000	0.000	0.000	0.000
21	A	37	THR	0	0.043	0.018	11.484	0.067	0.067	0.000	0.000	0.000	0.000
22	A	38	VAL	0	0.016	-0.010	12.930	-0.062	-0.062	0.000	0.000	0.000	0.000
23	A	39	GLU	-1	-0.925	-0.955	14.732	-0.330	-0.330	0.000	0.000	0.000	0.000
24	A	40	GLU	-1	-0.807	-0.875	10.296	-0.826	-0.826	0.000	0.000	0.000	0.000
25	A	41	LEU	0	-0.019	0.000	8.722	-0.100	-0.100	0.000	0.000	0.000	0.000
26	A	42	MET	0	-0.022	-0.003	11.148	-0.023	-0.023	0.000	0.000	0.000	0.000
27	A	43	ARG	1	0.870	0.907	10.330	0.684	0.684	0.000	0.000	0.000	0.000
28	A	44	LEU	0	-0.062	-0.029	5.701	0.035	0.035	0.000	0.000	0.000	0.000
29	A	45	ASN	0	-0.090	-0.061	8.341	-0.119	-0.119	0.000	0.000	0.000	0.000
30	A	46	GLY	0	0.009	0.023	11.473	0.080	0.080	0.000	0.000	0.000	0.000
31	A	47	LEU	0	-0.042	-0.018	13.764	0.053	0.053	0.000	0.000	0.000	0.000
32	A	48	GLU	-1	-0.899	-0.948	16.546	-0.183	-0.183	0.000	0.000	0.000	0.000
33	A	49	SER	0	-0.060	-0.035	19.385	0.028	0.028	0.000	0.000	0.000	0.000
34	A	50	PHE	0	0.042	-0.012	18.871	-0.025	-0.025	0.000	0.000	0.000	0.000
35	A	51	LEU	0	-0.036	0.002	19.548	0.012	0.012	0.000	0.000	0.000	0.000
36	A	52	LEU	0	-0.001	-0.002	14.185	-0.027	-0.027	0.000	0.000	0.000	0.000
37	A	53	GLN	0	-0.016	-0.003	17.498	0.027	0.027	0.000	0.000	0.000	0.000
38	A	54	PRO	0	0.008	-0.017	16.858	0.002	0.002	0.000	0.000	0.000	0.000
39	A	55	GLY	0	0.003	0.007	15.321	-0.004	-0.004	0.000	0.000	0.000	0.000
40	A	56	GLN	0	0.023	0.021	13.525	0.046	0.046	0.000	0.000	0.000	0.000
41	A	57	VAL	0	-0.007	-0.004	8.367	0.015	0.015	0.000	0.000	0.000	0.000
42	A	58	LEU	0	-0.045	-0.017	8.747	-0.072	-0.072	0.000	0.000	0.000	0.000
43	A	59	LYS	1	0.970	0.980	4.941	0.868	0.902	-0.001	-0.025	-0.008	0.000
44	A	60	LEU	0	-0.014	-0.010	2.495	-0.266	1.018	0.412	-0.528	-1.168	-0.001
45	A	61	PRO	0	-0.009	0.007	3.268	-1.840	-0.875	0.064	-0.421	-0.607	-0.003
46	A	117	PRO	0	0.015	-0.007	9.268	0.061	0.061	0.000	0.000	0.000	0.000
47	A	118	PRO	0	-0.005	0.013	11.672	-0.061	-0.061	0.000	0.000	0.000	0.000
48	A	119	PRO	0	0.038	0.014	12.824	0.001	0.001	0.000	0.000	0.000	0.000
49	A	120	PRO	0	0.017	0.006	16.057	0.014	0.014	0.000	0.000	0.000	0.000
50	A	121	GLU	-1	-0.766	-0.838	19.432	-0.015	-0.015	0.000	0.000	0.000	0.000
51	A	122	PRO	0	-0.051	-0.023	20.935	0.005	0.005	0.000	0.000	0.000	0.000
52	A	123	GLU	-1	-0.776	-0.851	24.327	0.024	0.024	0.000	0.000	0.000	0.000
53	A	124	ALA	0	-0.019	-0.034	26.789	-0.009	-0.009	0.000	0.000	0.000	0.000
54	A	125	LEU	0	-0.039	-0.003	28.555	0.006	0.006	0.000	0.000	0.000	0.000
55	A	126	ASP	-1	-0.822	-0.904	28.836	0.023	0.023	0.000	0.000	0.000	0.000
56	A	127	PRO	0	-0.010	-0.025	28.951	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	128	GLU	-1	-0.820	-0.886	31.979	0.020	0.020	0.000	0.000	0.000	0.000
58	A	129	SER	0	-0.024	-0.004	33.416	0.001	0.001	0.000	0.000	0.000	0.000
59	A	130	PRO	0	0.033	0.008	35.187	-0.004	-0.004	0.000	0.000	0.000	0.000
60	A	131	LEU	0	0.052	0.031	36.907	-0.002	-0.002	0.000	0.000	0.000	0.000
61	A	132	LEU	0	0.012	0.006	32.536	-0.003	-0.003	0.000	0.000	0.000	0.000
62	A	133	ARG	1	0.819	0.878	36.507	-0.017	-0.017	0.000	0.000	0.000	0.000
63	A	134	ALA	0	-0.008	0.006	38.857	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	135	VAL	0	-0.012	-0.014	38.062	-0.002	-0.002	0.000	0.000	0.000	0.000
65	A	136	LEU	0	-0.023	-0.029	35.207	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	137	ARG	1	0.826	0.914	39.640	-0.004	-0.004	0.000	0.000	0.000	0.000
67	A	138	TYR	0	-0.046	-0.046	42.884	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	139	LEU	0	-0.026	0.007	37.035	-0.002	-0.002	0.000	0.000	0.000	0.000
69	A	140	GLY	0	0.033	0.023	41.506	-0.001	-0.001	0.000	0.000	0.000	0.000
70	A	141	VAL	0	0.003	-0.003	43.398	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	142	PRO	0	-0.052	-0.022	46.839	0.000	0.000	0.000	0.000	0.000	0.000
72	A	143	TYR	0	-0.004	-0.006	48.148	0.001	0.001	0.000	0.000	0.000	0.000
73	A	144	LYS	1	0.845	0.902	50.034	0.013	0.013	0.000	0.000	0.000	0.000
74	A	145	TYR	0	0.018	0.019	53.591	0.001	0.001	0.000	0.000	0.000	0.000
75	A	146	GLY	0	0.024	-0.001	55.543	0.001	0.001	0.000	0.000	0.000	0.000
76	A	147	ALA	0	-0.024	-0.012	58.374	-0.001	-0.001	0.000	0.000	0.000	0.000
77	A	148	ASN	0	-0.009	-0.010	59.343	-0.001	-0.001	0.000	0.000	0.000	0.000
78	A	149	SER	0	-0.043	-0.024	55.474	0.000	0.000	0.000	0.000	0.000	0.000
79	A	150	PRO	0	0.035	0.021	55.742	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	151	LEU	0	0.071	0.025	48.190	0.001	0.001	0.000	0.000	0.000	0.000
81	A	152	ALA	0	0.002	0.000	50.853	0.000	0.000	0.000	0.000	0.000	0.000
82	A	153	LEU	0	-0.047	-0.007	52.422	0.001	0.001	0.000	0.000	0.000	0.000
83	A	154	ASP	-1	-0.691	-0.792	50.886	-0.011	-0.011	0.000	0.000	0.000	0.000
84	A	155	CYS	0	-0.105	-0.027	46.829	0.001	0.001	0.000	0.000	0.000	0.000
85	A	156	SER	0	0.061	0.002	47.608	0.000	0.000	0.000	0.000	0.000	0.000
86	A	157	ALA	0	0.005	0.017	49.560	0.001	0.001	0.000	0.000	0.000	0.000
87	A	158	PHE	0	0.006	0.002	42.002	0.001	0.001	0.000	0.000	0.000	0.000
88	A	159	VAL	0	0.001	-0.009	44.087	0.001	0.001	0.000	0.000	0.000	0.000
89	A	160	ALA	0	0.013	-0.007	46.206	0.002	0.002	0.000	0.000	0.000	0.000
90	A	161	GLN	0	-0.038	-0.003	48.030	0.001	0.001	0.000	0.000	0.000	0.000
91	A	162	VAL	0	-0.004	-0.008	41.838	0.001	0.001	0.000	0.000	0.000	0.000
92	A	163	TYR	0	-0.025	-0.044	40.416	0.001	0.001	0.000	0.000	0.000	0.000
93	A	164	ALA	0	0.024	0.026	45.684	0.002	0.002	0.000	0.000	0.000	0.000
94	A	165	GLU	-1	-0.792	-0.849	45.856	0.002	0.002	0.000	0.000	0.000	0.000
95	A	166	LEU	0	-0.076	-0.037	40.469	0.001	0.001	0.000	0.000	0.000	0.000
96	A	167	GLY	0	-0.015	0.001	45.105	0.002	0.002	0.000	0.000	0.000	0.000
97	A	168	VAL	0	-0.062	-0.029	44.815	0.000	0.000	0.000	0.000	0.000	0.000
98	A	169	ALA	0	0.006	0.001	48.045	-0.001	-0.001	0.000	0.000	0.000	0.000
99	A	170	LEU	0	0.004	-0.004	46.873	0.000	0.000	0.000	0.000	0.000	0.000
100	A	171	PRO	0	-0.018	-0.003	50.740	0.000	0.000	0.000	0.000	0.000	0.000
101	A	172	ARG	1	0.950	0.986	52.240	0.001	0.001	0.000	0.000	0.000	0.000
102	A	173	THR	0	-0.030	-0.040	53.097	-0.001	-0.001	0.000	0.000	0.000	0.000
103	A	174	THR	0	0.028	-0.002	48.646	0.001	0.001	0.000	0.000	0.000	0.000
104	A	175	LYS	1	0.864	0.923	50.497	0.008	0.008	0.000	0.000	0.000	0.000
105	A	176	GLU	-1	-0.754	-0.846	52.792	-0.002	-0.002	0.000	0.000	0.000	0.000
106	A	177	GLN	0	-0.045	-0.041	48.170	0.000	0.000	0.000	0.000	0.000	0.000
107	A	178	TYR	0	-0.028	-0.026	45.695	0.001	0.001	0.000	0.000	0.000	0.000
108	A	179	GLN	0	-0.045	-0.036	49.038	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	180	ALA	0	-0.017	0.003	51.335	0.001	0.001	0.000	0.000	0.000	0.000
110	A	181	PHE	0	0.001	0.011	46.362	0.001	0.001	0.000	0.000	0.000	0.000
111	A	182	PRO	0	0.023	0.016	44.782	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	183	PRO	0	-0.004	-0.029	43.990	0.000	0.000	0.000	0.000	0.000	0.000
113	A	184	VAL	0	-0.047	-0.014	37.525	0.002	0.002	0.000	0.000	0.000	0.000
114	A	185	GLU	-1	-0.920	-0.950	37.028	-0.011	-0.011	0.000	0.000	0.000	0.000
115	A	186	ALA	0	-0.018	-0.013	32.876	-0.003	-0.003	0.000	0.000	0.000	0.000
116	A	187	PRO	0	-0.052	-0.017	34.823	0.003	0.003	0.000	0.000	0.000	0.000
117	A	188	ARG	1	0.817	0.858	32.169	-0.025	-0.025	0.000	0.000	0.000	0.000
118	A	189	PRO	0	-0.030	-0.027	30.657	-0.002	-0.002	0.000	0.000	0.000	0.000
119	A	190	GLY	0	0.053	0.031	33.765	0.004	0.004	0.000	0.000	0.000	0.000
120	A	191	ASP	-1	-0.795	-0.863	36.974	0.007	0.007	0.000	0.000	0.000	0.000
121	A	192	LEU	0	0.007	0.014	38.924	-0.002	-0.002	0.000	0.000	0.000	0.000
122	A	193	VAL	0	-0.032	-0.023	37.581	0.000	0.000	0.000	0.000	0.000	0.000
123	A	194	PHE	0	0.026	0.006	41.009	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	195	PHE	0	-0.017	-0.023	39.658	-0.002	-0.002	0.000	0.000	0.000	0.000
125	A	196	SER	0	-0.010	-0.023	45.113	0.001	0.001	0.000	0.000	0.000	0.000
126	A	197	PHE	0	-0.023	-0.032	44.144	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	198	GLY	0	0.008	0.011	48.399	-0.001	-0.001	0.000	0.000	0.000	0.000
128	A	199	GLY	0	-0.054	-0.030	49.889	0.000	0.000	0.000	0.000	0.000	0.000
129	A	200	LYS	1	0.894	0.943	50.906	0.017	0.017	0.000	0.000	0.000	0.000
130	A	201	GLU	-1	-0.794	-0.877	52.614	-0.009	-0.009	0.000	0.000	0.000	0.000
131	A	202	VAL	0	-0.011	0.011	47.699	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	203	ASP	-1	-0.813	-0.888	49.384	-0.015	-0.015	0.000	0.000	0.000	0.000
133	A	204	HIS	0	0.019	0.017	44.678	0.000	0.000	0.000	0.000	0.000	0.000
134	A	205	VAL	0	0.023	0.008	44.741	0.000	0.000	0.000	0.000	0.000	0.000
135	A	206	GLY	0	-0.003	-0.008	41.586	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	207	ILE	0	0.011	0.018	38.349	0.001	0.001	0.000	0.000	0.000	0.000
137	A	208	TYR	0	-0.008	0.005	30.625	-0.005	-0.005	0.000	0.000	0.000	0.000
138	A	209	LEU	0	0.014	-0.002	32.833	0.004	0.004	0.000	0.000	0.000	0.000
139	A	210	GLY	0	0.055	0.030	29.843	0.004	0.004	0.000	0.000	0.000	0.000
140	A	211	ARG	1	0.850	0.898	22.636	0.002	0.002	0.000	0.000	0.000	0.000
141	A	212	GLY	0	0.082	0.055	27.680	-0.007	-0.007	0.000	0.000	0.000	0.000
142	A	213	VAL	0	-0.039	-0.024	30.238	-0.004	-0.004	0.000	0.000	0.000	0.000
143	A	214	PHE	0	0.000	-0.008	32.649	0.005	0.005	0.000	0.000	0.000	0.000
144	A	215	ALA	0	0.035	0.027	36.176	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	216	HIS	1	0.812	0.867	38.882	0.024	0.024	0.000	0.000	0.000	0.000
146	A	217	ALA	0	0.061	0.046	42.502	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	218	SER	0	-0.037	-0.032	43.312	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	219	SER	0	0.051	-0.010	45.063	0.002	0.002	0.000	0.000	0.000	0.000
149	A	220	TYR	0	-0.001	0.017	42.464	0.001	0.001	0.000	0.000	0.000	0.000
150	A	221	GLY	0	0.025	0.001	47.780	0.000	0.000	0.000	0.000	0.000	0.000
151	A	222	SER	0	-0.071	-0.069	48.450	0.001	0.001	0.000	0.000	0.000	0.000
152	A	223	ARG	1	0.851	0.931	45.529	0.022	0.022	0.000	0.000	0.000	0.000
153	A	224	VAL	0	0.023	0.035	41.552	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	225	VAL	0	-0.008	0.004	39.521	-0.001	-0.001	0.000	0.000	0.000	0.000
155	A	226	ILE	0	0.011	-0.005	33.895	0.003	0.003	0.000	0.000	0.000	0.000
156	A	227	GLU	-1	-0.817	-0.866	35.440	-0.035	-0.035	0.000	0.000	0.000	0.000
157	A	228	SER	0	0.023	0.004	31.597	0.001	0.001	0.000	0.000	0.000	0.000
158	A	229	LEU	0	0.015	-0.005	33.708	0.000	0.000	0.000	0.000	0.000	0.000
159	A	230	GLU	-1	-0.804	-0.875	29.472	-0.041	-0.041	0.000	0.000	0.000	0.000
160	A	231	ALA	0	-0.020	0.008	32.846	-0.004	-0.004	0.000	0.000	0.000	0.000
161	A	232	PRO	0	0.013	-0.013	34.735	0.004	0.004	0.000	0.000	0.000	0.000
162	A	233	PHE	0	-0.001	0.012	37.588	0.002	0.002	0.000	0.000	0.000	0.000
163	A	234	TYR	0	0.013	-0.028	37.815	0.003	0.003	0.000	0.000	0.000	0.000
164	A	235	ARG	1	0.799	0.866	31.435	0.043	0.043	0.000	0.000	0.000	0.000
165	A	236	LYS	1	0.913	0.976	38.442	0.040	0.040	0.000	0.000	0.000	0.000
166	A	237	VAL	0	-0.015	0.004	42.156	0.002	0.002	0.000	0.000	0.000	0.000
167	A	238	TYR	0	0.040	0.029	38.547	0.003	0.003	0.000	0.000	0.000	0.000
168	A	239	ARG	1	0.847	0.915	42.220	0.019	0.019	0.000	0.000	0.000	0.000
169	A	240	GLY	0	0.048	0.045	41.479	0.002	0.002	0.000	0.000	0.000	0.000
170	A	241	ALA	0	0.020	0.007	39.254	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	242	ARG	1	0.809	0.906	41.276	0.004	0.004	0.000	0.000	0.000	0.000
172	A	243	ARG	1	0.864	0.947	37.239	-0.010	-0.010	0.000	0.000	0.000	0.000
173	A	244	VAL	0	0.019	0.004	41.984	0.000	0.000	0.000	0.000	0.000	0.000
174	A	245	MET	0	-0.003	0.007	40.499	0.000	0.000	0.000	0.000	0.000	0.000
175	A	246	ALA	0	0.005	0.006	38.179	0.001	0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:17:ALA)