FMO DATABASE

FMODB ID: YZMY2

Calculation Name: 4KXR-B-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4KXR

Chain ID: B

ChEMBL ID:

UniProt ID: O53943

Base Structure: X-ray

Registration Date: 2023-06-26

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

Total energy (hartree)

FMO2-HF: Electronic energy	-1514443.330237
FMO2-HF: Nuclear repulsion	1443528.635057
FMO2-HF: Total energy	-70914.69518
FMO2-MP2: Total energy	-71118.241066

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(B:1:MET)

Summations of interaction energy for fragment #1(B:1:MET)

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.
-5.549	-0.592	4.875	-2.792	-7.04	-0.011

Interaction energy analysis for fragmet #1(B:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.073 / q_NPA : -0.050

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	B	3	PHE	0	0.030	0.000	2.620	-2.801	0.277	2.699	-1.882	-3.895	-0.015
4	B	4	GLU	-1	-0.721	-0.861	5.471	-1.182	-1.182	0.000	0.000	0.000	0.000
5	B	5	ALA	0	-0.085	-0.019	6.715	0.306	0.306	0.000	0.000	0.000	0.000
6	B	6	TYR	0	-0.100	-0.054	5.245	0.142	0.142	0.000	0.000	0.000	0.000
7	B	7	PRO	0	0.052	0.042	9.898	-0.035	-0.035	0.000	0.000	0.000	0.000
8	B	8	PRO	0	0.087	0.039	12.449	-0.003	-0.003	0.000	0.000	0.000	0.000
9	B	9	GLU	-1	-0.846	-0.898	14.251	-0.069	-0.069	0.000	0.000	0.000	0.000
10	B	10	VAL	0	-0.075	-0.035	9.952	0.043	0.043	0.000	0.000	0.000	0.000
11	B	11	ASN	0	-0.014	-0.019	8.277	0.091	0.091	0.000	0.000	0.000	0.000
12	B	12	SER	0	0.050	0.009	10.994	0.080	0.080	0.000	0.000	0.000	0.000
13	B	13	ALA	0	-0.028	-0.015	14.544	0.036	0.036	0.000	0.000	0.000	0.000
14	B	14	ASN	0	-0.079	-0.045	9.646	0.047	0.047	0.000	0.000	0.000	0.000
15	B	15	ILE	0	-0.029	0.001	11.076	0.071	0.071	0.000	0.000	0.000	0.000
16	B	16	TYR	0	-0.043	-0.019	13.639	0.003	0.003	0.000	0.000	0.000	0.000
17	B	17	ALA	0	-0.049	-0.001	16.076	-0.005	-0.005	0.000	0.000	0.000	0.000
18	B	18	GLY	0	-0.015	-0.011	16.130	0.027	0.027	0.000	0.000	0.000	0.000
19	B	19	PRO	0	-0.049	-0.039	16.547	-0.016	-0.016	0.000	0.000	0.000	0.000
20	B	20	GLY	0	0.079	0.055	17.620	-0.018	-0.018	0.000	0.000	0.000	0.000
21	B	21	PRO	0	0.029	0.007	16.800	0.013	0.013	0.000	0.000	0.000	0.000
22	B	22	ASP	-1	-0.863	-0.927	17.922	0.035	0.035	0.000	0.000	0.000	0.000
23	B	23	SER	0	-0.067	-0.046	17.894	-0.007	-0.007	0.000	0.000	0.000	0.000
24	B	24	MET	0	0.055	0.021	11.560	-0.012	-0.012	0.000	0.000	0.000	0.000
25	B	25	LEU	0	0.036	0.022	17.634	-0.015	-0.015	0.000	0.000	0.000	0.000
26	B	26	ALA	0	-0.082	-0.047	20.768	-0.008	-0.008	0.000	0.000	0.000	0.000
27	B	27	ALA	0	0.018	0.008	18.644	-0.006	-0.006	0.000	0.000	0.000	0.000
28	B	28	ALA	0	0.049	0.037	19.675	-0.007	-0.007	0.000	0.000	0.000	0.000
29	B	29	ARG	1	0.919	0.956	21.039	-0.025	-0.025	0.000	0.000	0.000	0.000
30	B	30	ALA	0	-0.005	0.002	23.190	-0.003	-0.003	0.000	0.000	0.000	0.000
31	B	31	TRP	0	0.048	0.004	18.538	-0.006	-0.006	0.000	0.000	0.000	0.000
32	B	32	ARG	1	0.983	0.999	23.187	-0.002	-0.002	0.000	0.000	0.000	0.000
33	B	33	SER	0	-0.030	-0.015	25.766	-0.002	-0.002	0.000	0.000	0.000	0.000
34	B	34	LEU	0	0.012	0.014	24.029	-0.001	-0.001	0.000	0.000	0.000	0.000
35	B	35	ASP	-1	-0.866	-0.926	25.599	-0.018	-0.018	0.000	0.000	0.000	0.000
36	B	36	VAL	0	-0.016	-0.016	27.429	-0.001	-0.001	0.000	0.000	0.000	0.000
37	B	37	GLU	-1	-0.940	-0.981	30.740	-0.001	-0.001	0.000	0.000	0.000	0.000
38	B	38	MET	0	-0.015	-0.021	28.424	0.001	0.001	0.000	0.000	0.000	0.000
39	B	39	THR	0	0.040	0.030	30.340	-0.001	-0.001	0.000	0.000	0.000	0.000
40	B	40	ALA	0	-0.016	-0.007	32.596	0.000	0.000	0.000	0.000	0.000	0.000
41	B	41	VAL	0	0.007	0.010	33.554	0.000	0.000	0.000	0.000	0.000	0.000
42	B	42	GLN	0	0.055	0.020	32.893	0.000	0.000	0.000	0.000	0.000	0.000
43	B	43	ARG	1	0.881	0.929	34.249	0.013	0.013	0.000	0.000	0.000	0.000
44	B	44	SER	0	-0.025	-0.016	38.187	0.000	0.000	0.000	0.000	0.000	0.000
45	B	45	PHE	0	-0.023	-0.009	37.787	0.000	0.000	0.000	0.000	0.000	0.000
46	B	46	ASN	0	0.011	0.001	39.265	0.000	0.000	0.000	0.000	0.000	0.000
47	B	47	ARG	1	0.979	0.992	40.895	0.005	0.005	0.000	0.000	0.000	0.000
48	B	48	THR	0	-0.019	-0.006	42.945	0.001	0.001	0.000	0.000	0.000	0.000
49	B	49	LEU	0	-0.018	-0.011	40.902	0.000	0.000	0.000	0.000	0.000	0.000
50	B	50	LEU	0	0.028	-0.002	44.304	0.000	0.000	0.000	0.000	0.000	0.000
51	B	51	SER	0	-0.050	-0.013	46.790	0.000	0.000	0.000	0.000	0.000	0.000
52	B	52	LEU	0	0.003	0.009	47.304	0.000	0.000	0.000	0.000	0.000	0.000
53	B	53	MET	0	-0.038	-0.033	48.636	0.000	0.000	0.000	0.000	0.000	0.000
54	B	54	ASP	-1	-0.985	-0.989	50.538	-0.004	-0.004	0.000	0.000	0.000	0.000
55	B	55	ALA	0	-0.025	-0.001	52.747	0.000	0.000	0.000	0.000	0.000	0.000
56	B	56	TRP	0	-0.070	-0.034	53.670	0.000	0.000	0.000	0.000	0.000	0.000
57	B	57	ALA	0	0.056	0.039	54.060	0.000	0.000	0.000	0.000	0.000	0.000
58	B	58	GLY	0	0.026	-0.003	54.177	0.000	0.000	0.000	0.000	0.000	0.000
59	B	59	PRO	0	-0.012	-0.031	53.620	0.000	0.000	0.000	0.000	0.000	0.000
60	B	60	VAL	0	0.032	0.032	52.028	0.000	0.000	0.000	0.000	0.000	0.000
61	B	61	VAL	0	0.068	0.039	49.190	0.000	0.000	0.000	0.000	0.000	0.000
62	B	62	MET	0	-0.025	-0.009	48.416	0.000	0.000	0.000	0.000	0.000	0.000
63	B	63	GLN	0	0.066	0.029	47.321	-0.001	-0.001	0.000	0.000	0.000	0.000
64	B	64	LEU	0	-0.011	0.002	46.057	0.000	0.000	0.000	0.000	0.000	0.000
65	B	65	MET	0	-0.043	-0.021	44.014	-0.001	-0.001	0.000	0.000	0.000	0.000
66	B	66	GLU	-1	-0.979	-0.993	42.621	-0.006	-0.006	0.000	0.000	0.000	0.000
67	B	67	ALA	0	-0.033	-0.014	41.592	-0.001	-0.001	0.000	0.000	0.000	0.000
68	B	68	ALA	0	0.036	0.022	39.670	0.000	0.000	0.000	0.000	0.000	0.000
69	B	69	LYS	1	0.939	0.983	38.108	0.010	0.010	0.000	0.000	0.000	0.000
70	B	70	PRO	0	-0.019	-0.028	34.953	-0.001	-0.001	0.000	0.000	0.000	0.000
71	B	71	PHE	0	0.079	0.048	33.226	-0.002	-0.002	0.000	0.000	0.000	0.000
72	B	72	VAL	0	0.029	0.009	33.680	-0.001	-0.001	0.000	0.000	0.000	0.000
73	B	73	ARG	1	0.904	0.945	32.462	0.014	0.014	0.000	0.000	0.000	0.000
74	B	74	TRP	0	0.028	0.017	27.018	-0.001	-0.001	0.000	0.000	0.000	0.000
75	B	75	LEU	0	-0.009	-0.003	29.084	-0.001	-0.001	0.000	0.000	0.000	0.000
76	B	76	THR	0	-0.034	-0.025	30.054	0.000	0.000	0.000	0.000	0.000	0.000
77	B	77	ASP	-1	-0.921	-0.963	26.228	-0.027	-0.027	0.000	0.000	0.000	0.000
78	B	78	LEU	0	-0.034	-0.004	24.926	-0.003	-0.003	0.000	0.000	0.000	0.000
79	B	79	CYS	0	-0.017	-0.012	25.313	0.000	0.000	0.000	0.000	0.000	0.000
80	B	80	VAL	0	-0.005	0.007	24.266	-0.001	-0.001	0.000	0.000	0.000	0.000
81	B	81	GLN	0	-0.053	-0.032	20.095	0.003	0.003	0.000	0.000	0.000	0.000
82	B	82	LEU	0	-0.016	-0.016	21.362	-0.001	-0.001	0.000	0.000	0.000	0.000
83	B	83	SER	0	-0.053	-0.012	22.779	0.000	0.000	0.000	0.000	0.000	0.000
84	B	84	GLU	-1	-0.858	-0.920	18.268	-0.057	-0.057	0.000	0.000	0.000	0.000
85	B	85	VAL	0	-0.005	-0.013	17.248	-0.003	-0.003	0.000	0.000	0.000	0.000
86	B	86	GLU	-1	-0.916	-0.971	18.004	-0.014	-0.014	0.000	0.000	0.000	0.000
87	B	87	ARG	1	0.878	0.947	19.410	0.042	0.042	0.000	0.000	0.000	0.000
88	B	88	GLN	0	0.029	-0.005	14.327	-0.004	-0.004	0.000	0.000	0.000	0.000
89	B	89	ILE	0	-0.011	0.012	14.466	0.006	0.006	0.000	0.000	0.000	0.000
90	B	90	HIS	0	-0.057	-0.038	15.602	0.019	0.019	0.000	0.000	0.000	0.000
91	B	91	GLU	-1	-0.938	-0.955	14.841	-0.056	-0.056	0.000	0.000	0.000	0.000
92	B	92	ILE	0	-0.007	0.003	10.431	0.002	0.002	0.000	0.000	0.000	0.000
93	B	93	VAL	0	-0.024	-0.017	12.876	0.032	0.032	0.000	0.000	0.000	0.000
94	B	94	ARG	1	0.936	0.967	15.523	0.033	0.033	0.000	0.000	0.000	0.000
95	B	95	ALA	0	-0.034	-0.010	11.559	-0.005	-0.005	0.000	0.000	0.000	0.000
96	B	96	TYR	0	-0.014	-0.008	12.494	-0.010	-0.010	0.000	0.000	0.000	0.000
97	B	97	GLU	-1	-0.939	-0.983	13.431	0.013	0.013	0.000	0.000	0.000	0.000
98	B	98	TRP	0	-0.046	-0.031	15.701	-0.014	-0.014	0.000	0.000	0.000	0.000
99	B	99	ALA	0	0.054	0.037	11.750	-0.017	-0.017	0.000	0.000	0.000	0.000
100	B	100	HIS	0	-0.046	-0.030	13.617	-0.015	-0.015	0.000	0.000	0.000	0.000
101	B	101	HIS	0	-0.143	-0.071	16.205	-0.006	-0.006	0.000	0.000	0.000	0.000
102	B	102	ASP	-1	-0.884	-0.948	15.281	-0.099	-0.099	0.000	0.000	0.000	0.000
103	B	103	MET	0	-0.086	0.004	10.691	-0.040	-0.040	0.000	0.000	0.000	0.000
104	B	104	VAL	0	0.042	0.027	15.484	0.021	0.021	0.000	0.000	0.000	0.000
105	B	105	PRO	0	-0.015	-0.002	17.827	0.012	0.012	0.000	0.000	0.000	0.000
106	B	106	LEU	0	0.046	0.007	17.767	-0.007	-0.007	0.000	0.000	0.000	0.000
107	B	107	ALA	0	-0.040	-0.017	20.672	-0.005	-0.005	0.000	0.000	0.000	0.000
108	B	108	GLN	0	0.006	-0.002	22.374	0.007	0.007	0.000	0.000	0.000	0.000
109	B	109	ILE	0	0.068	0.060	17.405	0.000	0.000	0.000	0.000	0.000	0.000
110	B	110	TYR	0	-0.030	-0.038	20.524	0.006	0.006	0.000	0.000	0.000	0.000
111	B	111	ASN	0	-0.010	-0.004	24.202	0.005	0.005	0.000	0.000	0.000	0.000
112	B	112	ASN	0	0.055	0.054	23.676	0.002	0.002	0.000	0.000	0.000	0.000
113	B	113	ARG	1	0.836	0.907	22.134	0.077	0.077	0.000	0.000	0.000	0.000
114	B	114	ALA	0	-0.029	-0.025	25.699	0.004	0.004	0.000	0.000	0.000	0.000
115	B	115	GLU	-1	-0.947	-0.983	29.029	-0.039	-0.039	0.000	0.000	0.000	0.000
116	B	116	ARG	1	0.825	0.892	26.182	0.055	0.055	0.000	0.000	0.000	0.000
117	B	117	GLN	0	-0.076	-0.044	29.721	0.000	0.000	0.000	0.000	0.000	0.000
118	B	118	ILE	0	0.040	0.024	31.226	0.003	0.003	0.000	0.000	0.000	0.000
119	B	119	LEU	0	0.009	0.011	32.448	0.003	0.003	0.000	0.000	0.000	0.000
120	B	120	ILE	0	-0.032	-0.024	30.404	0.002	0.002	0.000	0.000	0.000	0.000
121	B	121	ASP	-1	-0.922	-0.951	34.509	-0.017	-0.017	0.000	0.000	0.000	0.000
122	B	122	ASN	0	-0.107	-0.047	36.953	0.003	0.003	0.000	0.000	0.000	0.000
123	B	123	ASN	0	0.007	-0.007	35.801	0.001	0.001	0.000	0.000	0.000	0.000
124	B	124	ALA	0	-0.015	0.006	38.765	0.000	0.000	0.000	0.000	0.000	0.000
125	B	125	LEU	0	-0.024	-0.027	41.769	0.001	0.001	0.000	0.000	0.000	0.000
126	B	126	GLY	0	0.016	0.009	38.960	0.000	0.000	0.000	0.000	0.000	0.000
127	B	127	GLN	0	-0.079	-0.020	38.817	-0.002	-0.002	0.000	0.000	0.000	0.000
128	B	128	PHE	0	0.039	0.024	35.845	-0.001	-0.001	0.000	0.000	0.000	0.000
129	B	129	THR	0	-0.020	-0.039	33.731	-0.002	-0.002	0.000	0.000	0.000	0.000
130	B	130	ALA	0	0.010	0.006	32.806	-0.002	-0.002	0.000	0.000	0.000	0.000
131	B	131	GLN	0	0.033	0.020	32.026	-0.003	-0.003	0.000	0.000	0.000	0.000
132	B	132	ILE	0	-0.028	-0.020	29.584	-0.003	-0.003	0.000	0.000	0.000	0.000
133	B	133	ALA	0	-0.015	-0.011	28.187	-0.004	-0.004	0.000	0.000	0.000	0.000
134	B	134	ASP	-1	-0.898	-0.942	27.195	-0.060	-0.060	0.000	0.000	0.000	0.000
135	B	135	LEU	0	-0.017	-0.005	26.657	-0.007	-0.007	0.000	0.000	0.000	0.000
136	B	136	ASP	-1	-0.796	-0.883	23.900	-0.071	-0.071	0.000	0.000	0.000	0.000
137	B	137	GLN	0	-0.038	-0.003	21.402	-0.001	-0.001	0.000	0.000	0.000	0.000
138	B	138	GLU	-1	-0.852	-0.917	22.035	-0.086	-0.086	0.000	0.000	0.000	0.000
139	B	139	TYR	0	-0.139	-0.112	17.768	-0.015	-0.015	0.000	0.000	0.000	0.000
140	B	140	ASP	-1	-0.905	-0.969	18.011	-0.165	-0.165	0.000	0.000	0.000	0.000
141	B	141	ASP	-1	-0.882	-0.937	17.259	-0.173	-0.173	0.000	0.000	0.000	0.000
142	B	142	PHE	0	-0.036	-0.029	17.162	-0.018	-0.018	0.000	0.000	0.000	0.000
143	B	143	TRP	0	-0.104	-0.070	11.454	0.036	0.036	0.000	0.000	0.000	0.000
144	B	144	ASP	-1	-0.965	-0.983	12.669	-0.412	-0.412	0.000	0.000	0.000	0.000
145	B	145	GLU	-1	-0.855	-0.919	12.833	-0.282	-0.282	0.000	0.000	0.000	0.000
146	B	146	ASP	-1	-0.762	-0.909	11.497	-0.215	-0.215	0.000	0.000	0.000	0.000
147	B	147	GLY	0	-0.058	-0.023	8.678	-0.069	-0.069	0.000	0.000	0.000	0.000
148	B	148	GLU	-1	-0.951	-0.982	8.215	-0.611	-0.611	0.000	0.000	0.000	0.000
149	B	149	VAL	0	0.061	0.043	10.341	0.014	0.014	0.000	0.000	0.000	0.000
150	B	150	MET	0	-0.047	-0.037	5.940	0.195	0.195	0.000	0.000	0.000	0.000
151	B	151	ARG	1	0.810	0.917	5.760	0.692	0.692	0.000	0.000	0.000	0.000
152	B	152	ASP	-1	-0.843	-0.933	6.792	-0.271	-0.271	0.000	0.000	0.000	0.000
153	B	153	TYR	0	-0.045	-0.020	8.167	0.088	0.088	0.000	0.000	0.000	0.000
154	B	154	ARG	1	0.937	0.964	2.356	-0.352	1.527	2.176	-0.910	-3.145	0.004
155	B	155	LEU	0	-0.018	-0.019	5.917	-0.309	-0.309	0.000	0.000	0.000	0.000
156	B	156	ARG	1	1.028	1.021	7.888	0.139	0.139	0.000	0.000	0.000	0.000
157	B	157	VAL	0	-0.012	-0.002	6.248	-0.034	-0.034	0.000	0.000	0.000	0.000
158	B	158	SER	0	-0.031	-0.021	5.429	-0.144	-0.144	0.000	0.000	0.000	0.000
159	B	159	ASP	-1	-0.935	-0.958	7.131	-0.265	-0.265	0.000	0.000	0.000	0.000
160	B	160	ALA	0	-0.019	-0.009	10.739	0.022	0.022	0.000	0.000	0.000	0.000
161	B	161	LEU	0	-0.012	-0.018	6.597	0.017	0.017	0.000	0.000	0.000	0.000
162	B	162	SER	0	-0.090	-0.027	10.458	0.029	0.029	0.000	0.000	0.000	0.000
163	B	163	LYS	1	0.944	0.970	11.903	0.133	0.133	0.000	0.000	0.000	0.000
164	B	164	LEU	0	-0.064	-0.016	13.083	0.026	0.026	0.000	0.000	0.000	0.000
165	B	165	THR	0	-0.018	-0.001	14.545	-0.005	-0.005	0.000	0.000	0.000	0.000
166	B	166	PRO	0	0.020	0.002	16.003	0.009	0.009	0.000	0.000	0.000	0.000
167	B	167	TRP	0	0.035	0.019	17.957	0.004	0.004	0.000	0.000	0.000	0.000
168	B	168	LYS	1	0.976	0.988	21.198	0.040	0.040	0.000	0.000	0.000	0.000
169	B	169	ALA	0	0.019	0.012	24.095	0.002	0.002	0.000	0.000	0.000	0.000
170	B	170	PRO	0	-0.001	0.011	26.974	-0.001	-0.001	0.000	0.000	0.000	0.000
171	B	171	PRO	0	-0.031	-0.001	30.219	0.001	0.001	0.000	0.000	0.000	0.000
172	B	172	PRO	0	0.017	-0.009	33.071	0.001	0.001	0.000	0.000	0.000	0.000
173	B	173	ILE	0	0.003	0.001	36.420	-0.001	-0.001	0.000	0.000	0.000	0.000
174	B	174	ALA	0	-0.017	-0.002	39.587	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(B:1:MET)