FMO DATABASE

FMODB ID: P4LGN

Calculation Name: 2PYQ-A-Xray32

Preferred Name:

Target Type:

Ligand Name: tetraethylene glycol

ligand 3-letter code: PG4

PDB ID: 2PYQ

Chain ID: A

ChEMBL ID:

UniProt ID: Q28JX0

Base Structure: X-ray

Registration Date: 2018-09-07

Reference:

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE.
Water	Apo structure with with a 3 angstrom solvent shell.
Procedure	Auto-FMO protocol ver. 1.20180227

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	175
LigandCharge
Software	MIZUHO/ABINIT-MP 3.0

Total energy (hartree)

FMO2-HF: Electronic energy	-1059853.425047
FMO2-HF: Nuclear repulsion	1009555.901877
FMO2-HF: Total energy	-50297.52317
FMO2-MP2: Total energy	-50437.745016

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:0:GLY)

Summations of interaction energy for fragment #1(A:0: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.
0.064	1.849	0	-0.997	-0.789	0.003

Interaction energy analysis for fragmet #1(A:0:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.039 / q_NPA : 0.017

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	2	GLY	0	0.017	0.027	3.445	-0.062	1.676	0.001	-0.994	-0.746	0.003
4	A	3	LYS	1	0.979	0.980	5.356	0.601	0.648	-0.001	-0.003	-0.043	0.000
5	A	4	ARG	1	0.926	0.935	7.904	0.930	0.930	0.000	0.000	0.000	0.000
6	A	5	ASP	-1	-0.866	-0.939	7.695	-1.500	-1.500	0.000	0.000	0.000	0.000
7	A	6	ASP	-1	-0.884	-0.930	5.235	-0.741	-0.741	0.000	0.000	0.000	0.000
8	A	7	LEU	0	-0.103	-0.045	8.267	0.262	0.262	0.000	0.000	0.000	0.000
9	A	8	ILE	0	0.023	0.018	11.782	0.108	0.108	0.000	0.000	0.000	0.000
10	A	9	ALA	0	0.022	0.015	10.461	0.088	0.088	0.000	0.000	0.000	0.000
11	A	10	GLN	0	-0.027	-0.014	12.131	0.127	0.127	0.000	0.000	0.000	0.000
12	A	11	TYR	0	-0.022	-0.011	13.687	0.034	0.034	0.000	0.000	0.000	0.000
13	A	12	ALA	0	0.024	0.008	15.802	0.033	0.033	0.000	0.000	0.000	0.000
14	A	13	ASP	-1	-0.852	-0.895	15.112	0.023	0.023	0.000	0.000	0.000	0.000
15	A	14	ASP	-1	-0.720	-0.845	17.208	0.006	0.006	0.000	0.000	0.000	0.000
16	A	15	LEU	0	-0.027	-0.020	19.640	0.014	0.014	0.000	0.000	0.000	0.000
17	A	16	ARG	1	0.855	0.920	20.336	0.124	0.124	0.000	0.000	0.000	0.000
18	A	17	ASN	0	-0.013	-0.021	18.595	0.010	0.010	0.000	0.000	0.000	0.000
19	A	18	LYS	1	0.807	0.935	19.212	-0.028	-0.028	0.000	0.000	0.000	0.000
20	A	19	CYS	0	-0.040	-0.034	23.784	0.006	0.006	0.000	0.000	0.000	0.000
21	A	20	GLY	0	0.053	0.070	25.294	-0.001	-0.001	0.000	0.000	0.000	0.000
22	A	21	MET	0	-0.066	-0.026	25.324	-0.002	-0.002	0.000	0.000	0.000	0.000
23	A	22	GLU	-1	-0.789	-0.876	24.108	-0.108	-0.108	0.000	0.000	0.000	0.000
24	A	23	PRO	0	-0.019	0.017	20.007	-0.004	-0.004	0.000	0.000	0.000	0.000
25	A	24	ASP	-1	-0.801	-0.893	22.562	-0.225	-0.225	0.000	0.000	0.000	0.000
26	A	25	MET	0	0.041	-0.012	16.090	0.009	0.009	0.000	0.000	0.000	0.000
27	A	26	ALA	0	-0.014	0.011	20.164	-0.037	-0.037	0.000	0.000	0.000	0.000
28	A	27	LEU	0	0.048	0.028	22.541	-0.012	-0.012	0.000	0.000	0.000	0.000
29	A	28	LEU	0	0.005	-0.005	17.808	0.001	0.001	0.000	0.000	0.000	0.000
30	A	29	GLU	-1	-0.825	-0.900	16.542	-0.569	-0.569	0.000	0.000	0.000	0.000
31	A	30	LYS	1	0.788	0.874	19.418	0.234	0.234	0.000	0.000	0.000	0.000
32	A	31	VAL	0	0.000	0.004	22.275	0.011	0.011	0.000	0.000	0.000	0.000
33	A	32	THR	0	0.008	-0.004	16.000	0.024	0.024	0.000	0.000	0.000	0.000
34	A	33	LYS	1	0.822	0.907	19.255	0.453	0.453	0.000	0.000	0.000	0.000
35	A	34	GLY	0	-0.060	-0.018	20.542	0.013	0.013	0.000	0.000	0.000	0.000
36	A	35	CYS	0	-0.046	-0.021	20.250	0.031	0.031	0.000	0.000	0.000	0.000
37	A	36	GLY	0	0.029	0.034	20.396	0.030	0.030	0.000	0.000	0.000	0.000
38	A	37	PRO	0	-0.053	-0.030	16.608	-0.049	-0.049	0.000	0.000	0.000	0.000
39	A	38	ALA	0	0.019	0.018	11.863	0.039	0.039	0.000	0.000	0.000	0.000
40	A	39	ILE	0	0.027	0.020	13.958	0.027	0.027	0.000	0.000	0.000	0.000
41	A	40	TYR	0	0.020	-0.005	8.890	-0.023	-0.023	0.000	0.000	0.000	0.000
42	A	41	ASN	0	0.004	0.006	13.110	0.100	0.100	0.000	0.000	0.000	0.000
43	A	42	ARG	1	0.888	0.911	15.443	-0.127	-0.127	0.000	0.000	0.000	0.000
44	A	43	ASP	-1	-0.816	-0.895	16.749	0.058	0.058	0.000	0.000	0.000	0.000
45	A	44	ALA	0	-0.007	-0.001	19.467	-0.010	-0.010	0.000	0.000	0.000	0.000
46	A	45	SER	0	-0.090	-0.036	17.256	-0.024	-0.024	0.000	0.000	0.000	0.000
47	A	46	THR	0	-0.040	-0.019	19.222	-0.010	-0.010	0.000	0.000	0.000	0.000
48	A	47	VAL	0	0.007	0.017	21.618	-0.003	-0.003	0.000	0.000	0.000	0.000
49	A	48	ALA	0	0.021	0.007	25.337	0.012	0.012	0.000	0.000	0.000	0.000
50	A	49	GLY	0	0.004	-0.021	27.927	-0.005	-0.005	0.000	0.000	0.000	0.000
51	A	50	SER	0	-0.013	-0.006	29.813	-0.001	-0.001	0.000	0.000	0.000	0.000
52	A	51	ASP	-1	-0.842	-0.913	31.671	-0.007	-0.007	0.000	0.000	0.000	0.000
53	A	52	THR	0	0.032	0.007	33.430	-0.006	-0.006	0.000	0.000	0.000	0.000
54	A	53	ALA	0	0.025	0.009	35.204	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	54	GLU	-1	-0.833	-0.911	27.941	-0.048	-0.048	0.000	0.000	0.000	0.000
56	A	55	LEU	0	0.010	0.007	31.208	-0.011	-0.011	0.000	0.000	0.000	0.000
57	A	56	GLU	-1	-0.873	-0.938	33.426	-0.040	-0.040	0.000	0.000	0.000	0.000
58	A	57	THR	0	-0.028	-0.023	31.432	-0.005	-0.005	0.000	0.000	0.000	0.000
59	A	58	ILE	0	-0.024	0.006	28.680	-0.009	-0.009	0.000	0.000	0.000	0.000
60	A	59	LYS	1	0.900	0.958	31.907	0.035	0.035	0.000	0.000	0.000	0.000
61	A	60	LYS	1	0.912	0.963	35.384	0.045	0.045	0.000	0.000	0.000	0.000
62	A	61	ASN	0	-0.016	-0.039	32.115	-0.001	-0.001	0.000	0.000	0.000	0.000
63	A	62	PHE	0	-0.036	-0.008	27.949	-0.009	-0.009	0.000	0.000	0.000	0.000
64	A	63	LEU	0	0.007	0.007	31.734	-0.005	-0.005	0.000	0.000	0.000	0.000
65	A	64	MET	0	-0.043	0.001	34.380	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	65	LYS	1	0.897	0.954	34.647	0.079	0.079	0.000	0.000	0.000	0.000
67	A	66	LYS	1	0.889	0.964	26.501	0.171	0.171	0.000	0.000	0.000	0.000
68	A	67	LEU	0	-0.028	-0.023	30.291	-0.005	-0.005	0.000	0.000	0.000	0.000
69	A	68	GLY	0	0.003	0.017	34.102	0.001	0.001	0.000	0.000	0.000	0.000
70	A	69	LEU	0	-0.060	-0.020	35.708	0.004	0.004	0.000	0.000	0.000	0.000
71	A	70	ALA	0	0.046	0.014	39.093	0.001	0.001	0.000	0.000	0.000	0.000
72	A	71	ASP	-1	-0.763	-0.877	41.640	-0.043	-0.043	0.000	0.000	0.000	0.000
73	A	72	SER	0	0.012	0.014	42.363	0.002	0.002	0.000	0.000	0.000	0.000
74	A	73	GLU	-1	-0.846	-0.907	42.084	-0.030	-0.030	0.000	0.000	0.000	0.000
75	A	74	SER	0	-0.019	-0.005	40.784	-0.001	-0.001	0.000	0.000	0.000	0.000
76	A	75	LEU	0	-0.011	0.012	37.581	-0.002	-0.002	0.000	0.000	0.000	0.000
77	A	76	MET	0	0.037	0.017	36.681	-0.002	-0.002	0.000	0.000	0.000	0.000
78	A	77	GLY	0	0.050	0.035	37.126	0.002	0.002	0.000	0.000	0.000	0.000
79	A	78	GLY	0	0.014	-0.006	35.767	0.001	0.001	0.000	0.000	0.000	0.000
80	A	79	ILE	0	-0.030	-0.016	31.921	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	80	GLN	0	0.001	-0.011	32.573	0.000	0.000	0.000	0.000	0.000	0.000
82	A	81	SER	0	0.040	0.037	33.869	0.005	0.005	0.000	0.000	0.000	0.000
83	A	82	VAL	0	0.027	0.007	29.076	0.002	0.002	0.000	0.000	0.000	0.000
84	A	83	ILE	0	-0.031	-0.013	28.261	0.002	0.002	0.000	0.000	0.000	0.000
85	A	84	GLU	-1	-0.797	-0.850	29.670	0.008	0.008	0.000	0.000	0.000	0.000
86	A	85	THR	0	0.000	0.013	28.271	0.006	0.006	0.000	0.000	0.000	0.000
87	A	86	TYR	0	-0.035	-0.037	20.124	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	87	GLY	0	0.044	0.037	26.097	0.010	0.010	0.000	0.000	0.000	0.000
89	A	88	ARG	1	0.837	0.875	28.070	-0.006	-0.006	0.000	0.000	0.000	0.000
90	A	89	SER	0	-0.012	-0.020	27.800	0.003	0.003	0.000	0.000	0.000	0.000
91	A	90	GLU	-1	-0.780	-0.852	21.485	0.076	0.076	0.000	0.000	0.000	0.000
92	A	91	ARG	1	0.925	0.948	23.543	-0.110	-0.110	0.000	0.000	0.000	0.000
93	A	92	ASN	0	-0.017	0.016	18.706	-0.007	-0.007	0.000	0.000	0.000	0.000
94	A	93	LYS	1	0.900	0.963	20.461	-0.018	-0.018	0.000	0.000	0.000	0.000
95	A	94	TYR	0	0.008	0.002	15.152	-0.005	-0.005	0.000	0.000	0.000	0.000
96	A	95	ARG	1	0.947	0.958	20.376	0.083	0.083	0.000	0.000	0.000	0.000
97	A	96	ALA	0	0.003	-0.012	19.061	0.001	0.001	0.000	0.000	0.000	0.000
98	A	97	VAL	0	0.018	0.020	19.386	-0.007	-0.007	0.000	0.000	0.000	0.000
99	A	98	VAL	0	0.021	0.010	22.009	0.005	0.005	0.000	0.000	0.000	0.000
100	A	99	TYR	0	0.016	-0.014	24.460	0.009	0.009	0.000	0.000	0.000	0.000
101	A	100	TYR	0	0.015	0.007	23.151	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	101	MET	0	0.029	0.023	25.233	0.006	0.006	0.000	0.000	0.000	0.000
103	A	102	LEU	0	0.008	0.010	27.582	0.006	0.006	0.000	0.000	0.000	0.000
104	A	103	THR	0	-0.019	-0.019	28.164	0.002	0.002	0.000	0.000	0.000	0.000
105	A	104	LYS	1	0.864	0.936	27.781	0.136	0.136	0.000	0.000	0.000	0.000
106	A	105	HIS	0	-0.012	0.024	30.649	0.009	0.009	0.000	0.000	0.000	0.000
107	A	106	PHE	0	-0.020	-0.013	33.282	0.005	0.005	0.000	0.000	0.000	0.000
108	A	107	GLY	0	0.050	0.047	34.077	0.002	0.002	0.000	0.000	0.000	0.000
109	A	108	LYS	1	0.875	0.929	32.946	0.093	0.093	0.000	0.000	0.000	0.000
110	A	109	GLU	-1	-0.723	-0.866	29.699	-0.130	-0.130	0.000	0.000	0.000	0.000
111	A	110	SER	0	-0.002	-0.014	30.298	-0.012	-0.012	0.000	0.000	0.000	0.000
112	A	111	VAL	0	-0.026	0.003	31.112	-0.004	-0.004	0.000	0.000	0.000	0.000
113	A	112	TYR	0	-0.044	-0.025	25.710	-0.009	-0.009	0.000	0.000	0.000	0.000
114	A	113	GLY	-1	-0.816	-0.854	28.218	-0.226	-0.226	0.000	0.000	0.000	0.000
115	A	114	HOH	0	-0.022	-0.011	18.113	0.003	0.003	0.000	0.000	0.000	0.000
116	A	115	HOH	0	-0.023	-0.017	38.523	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	116	HOH	0	-0.050	-0.033	38.094	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	117	HOH	0	0.019	-0.002	41.052	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	118	HOH	0	-0.015	-0.025	23.907	0.004	0.004	0.000	0.000	0.000	0.000
120	A	119	HOH	0	-0.066	-0.055	18.884	0.013	0.013	0.000	0.000	0.000	0.000
121	A	120	HOH	0	-0.014	-0.007	27.259	0.005	0.005	0.000	0.000	0.000	0.000
122	A	121	HOH	0	0.007	0.001	25.970	-0.003	-0.003	0.000	0.000	0.000	0.000
123	A	122	HOH	0	-0.031	-0.025	24.182	-0.004	-0.004	0.000	0.000	0.000	0.000
124	A	123	HOH	0	-0.035	-0.029	30.510	0.001	0.001	0.000	0.000	0.000	0.000
125	A	124	HOH	0	0.013	0.012	34.696	-0.003	-0.003	0.000	0.000	0.000	0.000
126	A	125	HOH	0	-0.037	-0.022	34.084	0.001	0.001	0.000	0.000	0.000	0.000
127	A	126	HOH	0	-0.045	-0.046	28.884	-0.002	-0.002	0.000	0.000	0.000	0.000
128	A	127	HOH	0	-0.016	-0.015	22.546	0.000	0.000	0.000	0.000	0.000	0.000
129	A	128	HOH	0	-0.041	-0.046	43.083	0.000	0.000	0.000	0.000	0.000	0.000
130	A	129	HOH	0	-0.005	-0.013	21.241	0.005	0.005	0.000	0.000	0.000	0.000
131	A	130	HOH	0	0.023	0.024	35.686	0.001	0.001	0.000	0.000	0.000	0.000
132	A	131	HOH	0	-0.027	-0.026	6.392	-0.041	-0.041	0.000	0.000	0.000	0.000
133	A	132	HOH	0	-0.032	-0.021	33.180	0.003	0.003	0.000	0.000	0.000	0.000
134	A	133	HOH	0	-0.054	-0.049	17.873	0.013	0.013	0.000	0.000	0.000	0.000
135	A	134	HOH	0	-0.001	-0.005	23.996	0.001	0.001	0.000	0.000	0.000	0.000
136	A	135	HOH	0	-0.038	-0.034	34.340	0.003	0.003	0.000	0.000	0.000	0.000
137	A	136	HOH	0	-0.027	-0.022	30.116	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	137	HOH	0	-0.045	-0.041	31.983	-0.003	-0.003	0.000	0.000	0.000	0.000
139	A	138	HOH	0	0.026	0.018	22.142	-0.012	-0.012	0.000	0.000	0.000	0.000
140	A	139	HOH	0	-0.039	-0.043	40.726	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	140	HOH	0	0.001	-0.008	26.935	-0.009	-0.009	0.000	0.000	0.000	0.000
142	A	141	HOH	0	-0.021	-0.010	27.304	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	143	HOH	0	0.015	0.018	22.016	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	144	HOH	0	0.030	0.022	21.981	-0.014	-0.014	0.000	0.000	0.000	0.000
145	A	146	HOH	0	-0.037	-0.027	9.369	0.021	0.021	0.000	0.000	0.000	0.000
146	A	147	HOH	0	-0.044	-0.033	24.855	0.004	0.004	0.000	0.000	0.000	0.000
147	A	148	HOH	0	0.019	0.016	41.240	0.000	0.000	0.000	0.000	0.000	0.000
148	A	149	HOH	0	-0.003	0.004	7.492	0.217	0.217	0.000	0.000	0.000	0.000
149	A	150	HOH	0	0.006	0.007	9.213	0.026	0.026	0.000	0.000	0.000	0.000
150	A	151	HOH	0	-0.038	-0.031	29.378	0.003	0.003	0.000	0.000	0.000	0.000
151	A	154	HOH	0	-0.025	-0.023	14.036	0.023	0.023	0.000	0.000	0.000	0.000
152	A	157	HOH	0	-0.006	0.000	41.474	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	158	HOH	0	0.013	0.004	26.089	-0.003	-0.003	0.000	0.000	0.000	0.000
154	A	159	HOH	0	-0.014	-0.005	16.722	-0.019	-0.019	0.000	0.000	0.000	0.000
155	A	160	HOH	0	0.044	0.034	40.502	-0.003	-0.003	0.000	0.000	0.000	0.000
156	A	162	HOH	0	-0.038	-0.030	29.689	0.002	0.002	0.000	0.000	0.000	0.000
157	A	164	HOH	0	-0.069	-0.051	32.893	0.003	0.003	0.000	0.000	0.000	0.000
158	A	165	HOH	0	-0.030	-0.017	21.951	-0.008	-0.008	0.000	0.000	0.000	0.000
159	A	166	HOH	0	-0.036	-0.022	35.990	0.002	0.002	0.000	0.000	0.000	0.000
160	A	168	HOH	0	-0.012	-0.001	35.906	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	169	HOH	0	-0.039	-0.025	25.474	0.006	0.006	0.000	0.000	0.000	0.000
162	A	170	HOH	0	0.036	0.018	11.402	-0.055	-0.055	0.000	0.000	0.000	0.000
163	A	171	HOH	0	-0.033	-0.026	38.071	0.000	0.000	0.000	0.000	0.000	0.000
164	A	172	HOH	0	-0.035	-0.023	43.174	0.000	0.000	0.000	0.000	0.000	0.000
165	A	177	HOH	0	-0.036	-0.032	19.995	0.010	0.010	0.000	0.000	0.000	0.000
166	A	178	HOH	0	0.010	-0.005	37.576	0.000	0.000	0.000	0.000	0.000	0.000
167	A	179	HOH	0	-0.053	-0.028	23.452	0.006	0.006	0.000	0.000	0.000	0.000
168	A	180	HOH	0	0.015	0.006	33.512	-0.003	-0.003	0.000	0.000	0.000	0.000
169	A	181	HOH	0	-0.039	-0.029	31.658	0.003	0.003	0.000	0.000	0.000	0.000
170	A	182	HOH	0	0.010	-0.014	15.933	-0.025	-0.025	0.000	0.000	0.000	0.000
171	A	184	HOH	0	0.031	0.018	29.608	0.002	0.002	0.000	0.000	0.000	0.000
172	A	185	HOH	0	0.020	0.009	16.762	-0.005	-0.005	0.000	0.000	0.000	0.000
173	A	188	HOH	0	0.015	0.027	27.525	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	190	HOH	0	-0.004	-0.005	35.742	-0.001	-0.001	0.000	0.000	0.000	0.000
175	C	132	HOH	0	-0.020	-0.016	24.932	0.005	0.005	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:0:GLY)