FMO DATABASE

FMODB ID: NNKLQ

Calculation Name: 5XI8-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5XI8

Chain ID: A

ChEMBL ID:

UniProt ID: P66948

Base Structure: X-ray

Registration Date: 2023-09-23

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

Total energy (hartree)

FMO2-HF: Electronic energy	-1670386.630444
FMO2-HF: Nuclear repulsion	1603035.683079
FMO2-HF: Total energy	-67350.947365
FMO2-MP2: Total energy	-67550.333265

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:308:GLY)

Summations of interaction energy for fragment #1(A:308:GLY)

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.
-1.288	1.343	0.751	-1.286	-2.097	0.004

Interaction energy analysis for fragmet #1(A:308:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.042 / q_NPA : 0.009

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	310	ALA	0	0.041	0.026	3.506	0.356	1.503	0.009	-0.494	-0.662	0.001
4	A	311	ALA	0	-0.002	0.001	2.536	-1.253	-0.415	0.741	-0.627	-0.952	0.003
5	A	312	GLN	0	0.028	0.016	3.517	-0.455	0.109	0.002	-0.156	-0.410	0.000
6	A	313	TYR	0	0.048	0.005	5.632	0.388	0.388	0.000	0.000	0.000	0.000
7	A	314	GLY	0	0.038	0.023	7.780	0.106	0.106	0.000	0.000	0.000	0.000
8	A	315	ARG	1	0.898	0.934	4.118	0.141	0.223	-0.001	-0.009	-0.073	0.000
9	A	316	ALA	0	0.002	0.002	9.655	0.015	0.015	0.000	0.000	0.000	0.000
10	A	317	LEU	0	0.020	0.008	11.709	0.036	0.036	0.000	0.000	0.000	0.000
11	A	318	GLN	0	0.002	0.010	12.856	0.007	0.007	0.000	0.000	0.000	0.000
12	A	319	ALA	0	-0.038	-0.020	13.886	0.002	0.002	0.000	0.000	0.000	0.000
13	A	320	MET	0	-0.019	-0.005	15.686	-0.004	-0.004	0.000	0.000	0.000	0.000
14	A	321	GLU	-1	-0.943	-0.956	17.531	0.055	0.055	0.000	0.000	0.000	0.000
15	A	322	ALA	0	-0.064	-0.025	18.734	0.009	0.009	0.000	0.000	0.000	0.000
16	A	323	ASN	0	-0.023	-0.028	20.526	0.004	0.004	0.000	0.000	0.000	0.000
17	A	324	LYS	1	0.928	0.976	18.108	0.031	0.031	0.000	0.000	0.000	0.000
18	A	325	TYR	0	0.061	0.025	17.945	-0.024	-0.024	0.000	0.000	0.000	0.000
19	A	326	ASP	-1	-0.851	-0.920	18.201	-0.226	-0.226	0.000	0.000	0.000	0.000
20	A	327	GLU	-1	-0.871	-0.935	13.984	-0.294	-0.294	0.000	0.000	0.000	0.000
21	A	328	ALA	0	0.033	0.017	13.831	-0.061	-0.061	0.000	0.000	0.000	0.000
22	A	329	ARG	1	0.791	0.877	13.611	0.130	0.130	0.000	0.000	0.000	0.000
23	A	330	LYS	1	0.778	0.871	13.851	0.184	0.184	0.000	0.000	0.000	0.000
24	A	331	THR	0	-0.055	-0.017	8.406	-0.100	-0.100	0.000	0.000	0.000	0.000
25	A	332	LEU	0	0.001	0.003	9.562	-0.233	-0.233	0.000	0.000	0.000	0.000
26	A	333	GLN	0	-0.007	-0.011	11.724	-0.010	-0.010	0.000	0.000	0.000	0.000
27	A	334	PRO	0	-0.009	-0.011	9.090	0.042	0.042	0.000	0.000	0.000	0.000
28	A	335	LEU	0	-0.025	-0.001	6.093	-0.116	-0.116	0.000	0.000	0.000	0.000
29	A	336	LEU	0	0.003	-0.001	9.843	0.113	0.113	0.000	0.000	0.000	0.000
30	A	337	ALA	0	-0.021	-0.015	13.434	0.061	0.061	0.000	0.000	0.000	0.000
31	A	338	ALA	0	-0.012	0.006	10.676	0.061	0.061	0.000	0.000	0.000	0.000
32	A	339	GLU	-1	-0.842	-0.899	10.031	-0.497	-0.497	0.000	0.000	0.000	0.000
33	A	340	PRO	0	-0.012	-0.012	13.955	0.018	0.018	0.000	0.000	0.000	0.000
34	A	341	GLY	0	-0.040	-0.032	16.879	0.029	0.029	0.000	0.000	0.000	0.000
35	A	342	ASN	0	-0.007	-0.001	11.927	0.081	0.081	0.000	0.000	0.000	0.000
36	A	343	ALA	0	0.031	0.004	15.765	-0.009	-0.009	0.000	0.000	0.000	0.000
37	A	344	TRP	0	0.071	0.038	14.212	0.009	0.009	0.000	0.000	0.000	0.000
38	A	345	TYR	0	-0.077	-0.045	8.840	-0.083	-0.083	0.000	0.000	0.000	0.000
39	A	346	LEU	0	-0.022	-0.014	14.264	0.007	0.007	0.000	0.000	0.000	0.000
40	A	347	ASP	-1	-0.868	-0.898	17.681	-0.083	-0.083	0.000	0.000	0.000	0.000
41	A	348	LEU	0	0.051	0.023	13.334	0.001	0.001	0.000	0.000	0.000	0.000
42	A	349	ALA	0	-0.033	-0.031	16.951	0.006	0.006	0.000	0.000	0.000	0.000
43	A	350	THR	0	-0.054	-0.039	18.188	0.015	0.015	0.000	0.000	0.000	0.000
44	A	351	ASP	-1	-0.825	-0.913	20.263	-0.072	-0.072	0.000	0.000	0.000	0.000
45	A	352	ILE	0	-0.026	-0.023	15.717	0.005	0.005	0.000	0.000	0.000	0.000
46	A	353	ASP	-1	-0.805	-0.876	20.332	-0.175	-0.175	0.000	0.000	0.000	0.000
47	A	354	LEU	0	-0.022	0.002	23.112	0.011	0.011	0.000	0.000	0.000	0.000
48	A	355	GLY	0	0.029	0.035	23.856	0.010	0.010	0.000	0.000	0.000	0.000
49	A	356	GLN	0	-0.033	-0.022	21.976	-0.010	-0.010	0.000	0.000	0.000	0.000
50	A	357	ASN	0	-0.026	-0.003	25.673	0.002	0.002	0.000	0.000	0.000	0.000
51	A	358	LYS	1	0.832	0.907	23.737	0.144	0.144	0.000	0.000	0.000	0.000
52	A	359	ALA	0	0.097	0.043	26.666	-0.008	-0.008	0.000	0.000	0.000	0.000
53	A	360	ASN	0	0.006	0.000	28.449	0.000	0.000	0.000	0.000	0.000	0.000
54	A	361	GLU	-1	-0.847	-0.913	24.759	-0.123	-0.123	0.000	0.000	0.000	0.000
55	A	362	ALA	0	0.012	0.010	23.985	-0.010	-0.010	0.000	0.000	0.000	0.000
56	A	363	ILE	0	-0.001	0.001	25.021	-0.003	-0.003	0.000	0.000	0.000	0.000
57	A	364	ASN	0	-0.018	-0.018	27.445	0.006	0.006	0.000	0.000	0.000	0.000
58	A	365	ARG	1	0.838	0.914	19.355	0.204	0.204	0.000	0.000	0.000	0.000
59	A	366	LEU	0	0.031	0.022	22.286	-0.004	-0.004	0.000	0.000	0.000	0.000
60	A	367	LYS	1	0.885	0.939	24.673	0.092	0.092	0.000	0.000	0.000	0.000
61	A	368	ASN	0	-0.064	-0.020	23.567	0.016	0.016	0.000	0.000	0.000	0.000
62	A	369	ALA	0	0.028	0.031	22.393	-0.008	-0.008	0.000	0.000	0.000	0.000
63	A	370	ARG	1	0.974	0.972	20.997	0.160	0.160	0.000	0.000	0.000	0.000
64	A	371	ASP	-1	-0.887	-0.947	22.147	-0.096	-0.096	0.000	0.000	0.000	0.000
65	A	372	LEU	0	0.004	0.005	24.530	0.009	0.009	0.000	0.000	0.000	0.000
66	A	373	ARG	1	0.860	0.918	26.296	0.086	0.086	0.000	0.000	0.000	0.000
67	A	374	THR	0	0.011	0.006	26.577	0.004	0.004	0.000	0.000	0.000	0.000
68	A	375	ASN	0	0.032	0.030	20.776	0.010	0.010	0.000	0.000	0.000	0.000
69	A	376	PRO	0	0.061	0.016	25.000	-0.006	-0.006	0.000	0.000	0.000	0.000
70	A	377	VAL	0	0.066	0.044	20.074	0.000	0.000	0.000	0.000	0.000	0.000
71	A	378	LEU	0	-0.016	0.005	20.597	-0.007	-0.007	0.000	0.000	0.000	0.000
72	A	379	GLN	0	-0.015	-0.005	24.004	0.004	0.004	0.000	0.000	0.000	0.000
73	A	380	LEU	0	0.040	0.027	26.091	-0.001	-0.001	0.000	0.000	0.000	0.000
74	A	381	ASN	0	-0.035	-0.042	21.931	-0.005	-0.005	0.000	0.000	0.000	0.000
75	A	382	LEU	0	-0.026	-0.011	25.410	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	383	ALA	0	-0.005	-0.001	27.735	0.002	0.002	0.000	0.000	0.000	0.000
77	A	384	ASN	0	0.068	0.037	26.150	0.007	0.007	0.000	0.000	0.000	0.000
78	A	385	ALA	0	0.026	0.004	26.744	0.000	0.000	0.000	0.000	0.000	0.000
79	A	386	TYR	0	-0.017	-0.030	28.780	-0.002	-0.002	0.000	0.000	0.000	0.000
80	A	387	LEU	0	-0.012	-0.005	32.237	0.002	0.002	0.000	0.000	0.000	0.000
81	A	388	GLN	0	-0.030	-0.015	29.702	0.004	0.004	0.000	0.000	0.000	0.000
82	A	389	GLY	0	-0.048	-0.026	32.348	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	390	GLY	0	-0.030	0.000	33.213	0.001	0.001	0.000	0.000	0.000	0.000
84	A	391	GLN	0	-0.051	-0.034	34.522	0.003	0.003	0.000	0.000	0.000	0.000
85	A	392	PRO	0	0.071	0.026	36.252	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	393	GLN	0	0.019	0.016	38.001	0.002	0.002	0.000	0.000	0.000	0.000
87	A	394	GLU	-1	-0.850	-0.939	35.035	-0.047	-0.047	0.000	0.000	0.000	0.000
88	A	395	ALA	0	-0.017	-0.003	33.841	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	396	ALA	0	0.075	0.036	34.839	0.002	0.002	0.000	0.000	0.000	0.000
90	A	397	ASN	0	-0.065	-0.022	36.888	0.005	0.005	0.000	0.000	0.000	0.000
91	A	398	ILE	0	-0.087	-0.042	30.704	0.002	0.002	0.000	0.000	0.000	0.000
92	A	399	LEU	0	0.019	0.007	32.135	0.002	0.002	0.000	0.000	0.000	0.000
93	A	400	ASN	0	-0.031	-0.008	34.934	0.006	0.006	0.000	0.000	0.000	0.000
94	A	401	ARG	1	0.880	0.950	32.806	0.044	0.044	0.000	0.000	0.000	0.000
95	A	402	TYR	0	-0.072	-0.055	27.935	0.001	0.001	0.000	0.000	0.000	0.000
96	A	403	THR	0	0.041	0.000	33.199	0.003	0.003	0.000	0.000	0.000	0.000
97	A	404	PHE	0	-0.061	-0.014	35.495	0.004	0.004	0.000	0.000	0.000	0.000
98	A	405	ASN	0	-0.098	-0.065	32.844	0.004	0.004	0.000	0.000	0.000	0.000
99	A	406	ASN	0	-0.071	-0.032	29.722	0.004	0.004	0.000	0.000	0.000	0.000
100	A	407	LYS	1	0.885	0.931	32.712	-0.008	-0.008	0.000	0.000	0.000	0.000
101	A	408	ASP	-1	-0.826	-0.896	32.869	0.010	0.010	0.000	0.000	0.000	0.000
102	A	409	ASP	-1	-0.788	-0.862	29.217	-0.008	-0.008	0.000	0.000	0.000	0.000
103	A	410	SER	0	0.040	0.005	31.868	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	411	ASN	0	-0.010	-0.004	28.375	-0.003	-0.003	0.000	0.000	0.000	0.000
105	A	412	GLY	0	0.018	0.011	31.273	-0.005	-0.005	0.000	0.000	0.000	0.000
106	A	413	TRP	0	-0.015	-0.031	32.643	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	414	ASP	-1	-0.900	-0.940	33.918	-0.009	-0.009	0.000	0.000	0.000	0.000
108	A	415	LEU	0	-0.007	-0.009	29.698	-0.003	-0.003	0.000	0.000	0.000	0.000
109	A	416	LEU	0	-0.031	-0.015	34.406	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	417	ALA	0	0.005	-0.002	37.223	0.000	0.000	0.000	0.000	0.000	0.000
111	A	418	GLN	0	-0.026	-0.016	34.484	0.000	0.000	0.000	0.000	0.000	0.000
112	A	419	ALA	0	-0.008	-0.007	36.839	-0.001	-0.001	0.000	0.000	0.000	0.000
113	A	420	GLU	-1	-0.790	-0.914	38.740	-0.025	-0.025	0.000	0.000	0.000	0.000
114	A	421	ALA	0	-0.044	-0.012	41.796	0.001	0.001	0.000	0.000	0.000	0.000
115	A	422	ALA	0	-0.057	-0.027	40.429	0.000	0.000	0.000	0.000	0.000	0.000
116	A	423	LEU	0	-0.068	-0.027	40.705	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	424	ASN	0	-0.083	-0.025	44.187	0.002	0.002	0.000	0.000	0.000	0.000
118	A	425	ASN	0	-0.039	-0.014	44.060	0.002	0.002	0.000	0.000	0.000	0.000
119	A	426	ARG	1	0.920	0.943	46.301	0.013	0.013	0.000	0.000	0.000	0.000
120	A	427	ASP	-1	-0.804	-0.892	47.915	-0.012	-0.012	0.000	0.000	0.000	0.000
121	A	428	GLN	0	0.082	0.035	43.928	0.002	0.002	0.000	0.000	0.000	0.000
122	A	429	GLU	-1	-0.804	-0.871	43.225	-0.014	-0.014	0.000	0.000	0.000	0.000
123	A	430	LEU	0	-0.082	-0.043	43.865	0.001	0.001	0.000	0.000	0.000	0.000
124	A	431	ALA	0	0.032	0.010	44.811	0.002	0.002	0.000	0.000	0.000	0.000
125	A	432	ALA	0	0.009	0.014	39.758	0.002	0.002	0.000	0.000	0.000	0.000
126	A	433	ARG	1	0.904	0.926	40.609	0.012	0.012	0.000	0.000	0.000	0.000
127	A	434	ALA	0	-0.051	-0.016	42.428	0.002	0.002	0.000	0.000	0.000	0.000
128	A	435	GLU	-1	-0.776	-0.853	39.812	0.001	0.001	0.000	0.000	0.000	0.000
129	A	436	GLY	0	0.050	0.030	38.336	0.002	0.002	0.000	0.000	0.000	0.000
130	A	437	TYR	0	-0.050	-0.045	39.321	0.002	0.002	0.000	0.000	0.000	0.000
131	A	438	ALA	0	-0.016	-0.009	41.773	0.002	0.002	0.000	0.000	0.000	0.000
132	A	439	LEU	0	-0.020	0.001	35.324	0.003	0.003	0.000	0.000	0.000	0.000
133	A	440	ALA	0	-0.035	0.000	37.868	0.003	0.003	0.000	0.000	0.000	0.000
134	A	441	GLY	0	0.008	0.003	39.505	0.001	0.001	0.000	0.000	0.000	0.000
135	A	442	ARG	1	0.841	0.918	42.489	-0.006	-0.006	0.000	0.000	0.000	0.000
136	A	443	LEU	0	0.040	0.008	44.181	-0.002	-0.002	0.000	0.000	0.000	0.000
137	A	444	ASP	-1	-0.831	-0.918	46.955	0.006	0.006	0.000	0.000	0.000	0.000
138	A	445	GLN	0	0.016	0.013	47.140	0.000	0.000	0.000	0.000	0.000	0.000
139	A	446	ALA	0	0.024	0.013	45.128	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	447	ILE	0	0.018	0.011	47.003	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	448	SER	0	-0.003	0.019	50.276	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	449	LEU	0	-0.035	-0.020	46.101	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	450	MET	0	0.014	0.022	45.105	-0.002	-0.002	0.000	0.000	0.000	0.000
144	A	451	SER	0	-0.018	-0.032	49.597	0.000	0.000	0.000	0.000	0.000	0.000
145	A	452	SER	0	-0.059	-0.027	51.859	-0.001	-0.001	0.000	0.000	0.000	0.000
146	A	453	ALA	0	0.009	0.018	49.159	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	454	SER	0	-0.029	-0.058	51.210	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	455	SER	0	-0.113	-0.063	53.445	0.000	0.000	0.000	0.000	0.000	0.000
149	A	456	GLN	0	-0.005	-0.007	52.406	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	457	VAL	0	-0.004	0.027	51.490	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	458	LYS	1	0.941	0.969	54.831	0.011	0.011	0.000	0.000	0.000	0.000
152	A	459	LEU	0	0.062	0.029	57.367	0.000	0.000	0.000	0.000	0.000	0.000
153	A	460	GLY	0	-0.013	-0.009	58.984	0.000	0.000	0.000	0.000	0.000	0.000
154	A	461	SER	0	-0.077	-0.037	54.857	0.000	0.000	0.000	0.000	0.000	0.000
155	A	462	LEU	0	0.038	0.005	50.152	0.000	0.000	0.000	0.000	0.000	0.000
156	A	463	GLN	0	0.012	-0.001	46.490	0.001	0.001	0.000	0.000	0.000	0.000
157	A	464	GLN	0	0.047	0.018	51.113	0.000	0.000	0.000	0.000	0.000	0.000
158	A	465	ALA	0	0.026	0.015	53.307	0.001	0.001	0.000	0.000	0.000	0.000
159	A	466	ARG	1	0.903	0.955	46.511	0.012	0.012	0.000	0.000	0.000	0.000
160	A	467	TYR	0	-0.011	-0.037	46.477	0.001	0.001	0.000	0.000	0.000	0.000
161	A	468	ASP	-1	-0.772	-0.858	50.031	-0.002	-0.002	0.000	0.000	0.000	0.000
162	A	469	ALA	0	-0.013	-0.003	49.709	0.001	0.001	0.000	0.000	0.000	0.000
163	A	470	ARG	1	0.772	0.833	43.083	0.001	0.001	0.000	0.000	0.000	0.000
164	A	471	ILE	0	-0.015	-0.001	48.028	0.001	0.001	0.000	0.000	0.000	0.000
165	A	472	ASP	-1	-0.890	-0.943	50.664	0.003	0.003	0.000	0.000	0.000	0.000
166	A	473	GLN	0	-0.034	-0.014	45.698	0.001	0.001	0.000	0.000	0.000	0.000
167	A	474	LEU	0	-0.026	-0.015	44.558	0.002	0.002	0.000	0.000	0.000	0.000
168	A	475	ARG	1	0.971	0.988	47.902	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	476	GLN	0	-0.015	-0.005	49.978	0.001	0.001	0.000	0.000	0.000	0.000
170	A	477	LEU	0	-0.035	-0.015	43.152	0.002	0.002	0.000	0.000	0.000	0.000
171	A	478	GLN	0	-0.002	-0.018	47.552	0.001	0.001	0.000	0.000	0.000	0.000
172	A	479	GLU	-1	-0.818	-0.874	49.425	0.011	0.011	0.000	0.000	0.000	0.000
173	A	480	ARG	1	0.866	0.942	43.328	-0.018	-0.018	0.000	0.000	0.000	0.000
174	A	481	PHE	0	-0.044	-0.026	42.811	0.002	0.002	0.000	0.000	0.000	0.000
175	A	482	LYS	1	0.801	0.902	48.787	-0.009	-0.009	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:308:GLY)