FMO DATABASE

FMODB ID: 72MQK

Calculation Name: 4F6C-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4F6C

Chain ID: A

ChEMBL ID:

UniProt ID: A0A0H3

Base Structure: X-ray

Registration Date: 2023-06-22

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	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	371
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6409917.902246
FMO2-HF: Nuclear repulsion	6259028.981311
FMO2-HF: Total energy	-150888.920934
FMO2-MP2: Total energy	-151322.836044

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:2013:VAL)

Summations of interaction energy for fragment #1(A:2013:VAL)

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.
-7.052	-1.47	9.926	-4.757	-10.75	-0.01

Interaction energy analysis for fragmet #1(A:2013:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.009 / q_NPA : 0.008

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	2015	LEU	0	-0.020	-0.017	2.673	-2.718	1.402	0.461	-1.878	-2.703	0.002
4	A	2016	PRO	0	0.021	0.012	5.008	-0.003	0.050	-0.001	-0.006	-0.045	0.000
5	A	2017	ASP	-1	-0.868	-0.933	8.664	-0.800	-0.800	0.000	0.000	0.000	0.000
6	A	2018	ASN	0	-0.043	-0.018	11.677	-0.028	-0.028	0.000	0.000	0.000	0.000
7	A	2019	LEU	0	0.023	0.020	6.597	0.081	0.081	0.000	0.000	0.000	0.000
8	A	2020	SER	0	0.054	0.011	10.445	0.062	0.062	0.000	0.000	0.000	0.000
9	A	2021	GLU	-1	-0.932	-0.976	13.365	-0.214	-0.214	0.000	0.000	0.000	0.000
10	A	2022	LEU	0	0.024	0.002	10.392	0.051	0.051	0.000	0.000	0.000	0.000
11	A	2023	GLN	0	0.015	0.007	9.741	0.032	0.032	0.000	0.000	0.000	0.000
12	A	2024	LYS	1	0.885	0.966	13.884	0.255	0.255	0.000	0.000	0.000	0.000
13	A	2025	ILE	0	-0.022	0.006	16.295	0.029	0.029	0.000	0.000	0.000	0.000
14	A	2026	VAL	0	0.035	0.019	14.087	0.025	0.025	0.000	0.000	0.000	0.000
15	A	2027	MET	0	0.018	0.017	17.123	0.027	0.027	0.000	0.000	0.000	0.000
16	A	2028	SER	0	-0.032	-0.045	18.685	0.014	0.014	0.000	0.000	0.000	0.000
17	A	2029	ARG	1	0.887	0.910	20.720	0.097	0.097	0.000	0.000	0.000	0.000
18	A	2030	TYR	0	-0.009	0.007	19.626	0.011	0.011	0.000	0.000	0.000	0.000
19	A	2031	ASN	0	-0.032	-0.033	21.716	0.002	0.002	0.000	0.000	0.000	0.000
20	A	2032	LEU	0	-0.051	-0.003	24.669	0.004	0.004	0.000	0.000	0.000	0.000
21	A	2033	GLY	0	-0.020	0.010	26.064	0.005	0.005	0.000	0.000	0.000	0.000
22	A	2034	ILE	0	-0.012	-0.010	27.762	0.000	0.000	0.000	0.000	0.000	0.000
23	A	2035	LEU	0	0.000	-0.001	29.728	-0.001	-0.001	0.000	0.000	0.000	0.000
24	A	2036	GLU	-1	-0.878	-0.941	32.577	-0.012	-0.012	0.000	0.000	0.000	0.000
25	A	2037	ASP	-1	-0.902	-0.956	35.119	-0.022	-0.022	0.000	0.000	0.000	0.000
26	A	2038	SER	0	-0.029	0.002	30.308	-0.002	-0.002	0.000	0.000	0.000	0.000
27	A	2039	LEU	0	-0.025	-0.031	31.127	0.002	0.002	0.000	0.000	0.000	0.000
28	A	2040	SER	0	-0.018	-0.009	33.329	0.004	0.004	0.000	0.000	0.000	0.000
29	A	2041	HIS	0	-0.001	-0.008	33.509	-0.001	-0.001	0.000	0.000	0.000	0.000
30	A	2042	ARG	1	0.841	0.900	29.210	0.008	0.008	0.000	0.000	0.000	0.000
31	A	2043	PRO	0	-0.039	-0.026	32.677	0.003	0.003	0.000	0.000	0.000	0.000
32	A	2044	LEU	0	0.033	0.022	29.491	-0.003	-0.003	0.000	0.000	0.000	0.000
33	A	2045	GLY	0	0.037	0.027	32.053	-0.002	-0.002	0.000	0.000	0.000	0.000
34	A	2046	ASN	0	-0.017	-0.004	33.594	0.006	0.006	0.000	0.000	0.000	0.000
35	A	2047	THR	0	0.012	-0.003	28.468	-0.003	-0.003	0.000	0.000	0.000	0.000
36	A	2048	LEU	0	0.015	0.027	25.613	0.004	0.004	0.000	0.000	0.000	0.000
37	A	2049	LEU	0	-0.014	-0.008	24.674	0.001	0.001	0.000	0.000	0.000	0.000
38	A	2050	THR	0	0.029	0.019	21.244	-0.002	-0.002	0.000	0.000	0.000	0.000
39	A	2051	GLY	0	-0.005	-0.014	22.740	0.004	0.004	0.000	0.000	0.000	0.000
40	A	2052	ALA	0	0.061	0.026	23.528	0.005	0.005	0.000	0.000	0.000	0.000
41	A	2053	THR	0	-0.058	-0.022	26.528	0.001	0.001	0.000	0.000	0.000	0.000
42	A	2054	GLY	0	0.018	0.011	24.622	0.007	0.007	0.000	0.000	0.000	0.000
43	A	2055	PHE	0	0.003	-0.003	24.740	-0.008	-0.008	0.000	0.000	0.000	0.000
44	A	2056	LEU	0	0.058	0.009	21.652	-0.006	-0.006	0.000	0.000	0.000	0.000
45	A	2057	GLY	0	0.014	0.013	25.023	-0.009	-0.009	0.000	0.000	0.000	0.000
46	A	2058	ALA	0	0.014	0.019	26.323	-0.008	-0.008	0.000	0.000	0.000	0.000
47	A	2059	TYR	0	0.076	0.009	28.512	-0.007	-0.007	0.000	0.000	0.000	0.000
48	A	2060	LEU	0	-0.023	0.000	23.935	-0.004	-0.004	0.000	0.000	0.000	0.000
49	A	2061	ILE	0	-0.005	-0.005	28.561	-0.006	-0.006	0.000	0.000	0.000	0.000
50	A	2062	GLU	-1	-0.947	-0.977	31.369	0.050	0.050	0.000	0.000	0.000	0.000
51	A	2063	ALA	0	0.013	0.001	30.318	-0.004	-0.004	0.000	0.000	0.000	0.000
52	A	2064	LEU	0	-0.013	-0.005	28.977	-0.004	-0.004	0.000	0.000	0.000	0.000
53	A	2065	GLN	0	-0.015	-0.009	32.905	-0.007	-0.007	0.000	0.000	0.000	0.000
54	A	2066	GLY	0	-0.004	0.010	36.542	0.000	0.000	0.000	0.000	0.000	0.000
55	A	2067	TYR	0	-0.062	-0.025	34.205	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	2068	SER	0	-0.049	-0.035	32.128	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	2069	HIS	0	-0.057	-0.007	34.752	0.000	0.000	0.000	0.000	0.000	0.000
58	A	2070	ARG	1	0.867	0.929	35.573	-0.019	-0.019	0.000	0.000	0.000	0.000
59	A	2071	ILE	0	0.001	-0.001	30.704	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	2072	TYR	0	0.046	0.016	30.946	0.001	0.001	0.000	0.000	0.000	0.000
61	A	2073	CYS	0	-0.038	-0.028	29.031	0.002	0.002	0.000	0.000	0.000	0.000
62	A	2074	PHE	0	0.029	0.034	24.008	0.003	0.003	0.000	0.000	0.000	0.000
63	A	2075	ILE	0	-0.053	-0.037	26.381	0.011	0.011	0.000	0.000	0.000	0.000
64	A	2076	ARG	1	0.854	0.940	20.973	-0.070	-0.070	0.000	0.000	0.000	0.000
65	A	2077	ALA	0	-0.040	-0.037	27.106	0.008	0.008	0.000	0.000	0.000	0.000
66	A	2078	ASP	-1	-0.899	-0.944	30.287	0.059	0.059	0.000	0.000	0.000	0.000
67	A	2079	ASN	0	-0.013	-0.010	32.849	-0.005	-0.005	0.000	0.000	0.000	0.000
68	A	2080	GLU	-1	-0.831	-0.928	34.685	0.032	0.032	0.000	0.000	0.000	0.000
69	A	2081	GLU	-1	-0.932	-0.942	36.225	0.042	0.042	0.000	0.000	0.000	0.000
70	A	2082	ILE	0	-0.039	-0.035	32.620	0.004	0.004	0.000	0.000	0.000	0.000
71	A	2083	ALA	0	-0.001	-0.002	32.071	0.006	0.006	0.000	0.000	0.000	0.000
72	A	2084	TRP	0	0.077	0.030	33.205	0.006	0.006	0.000	0.000	0.000	0.000
73	A	2085	TYR	0	-0.003	0.012	35.391	0.004	0.004	0.000	0.000	0.000	0.000
74	A	2086	LYS	1	0.890	0.943	29.593	-0.080	-0.080	0.000	0.000	0.000	0.000
75	A	2087	LEU	0	0.026	0.013	30.937	0.005	0.005	0.000	0.000	0.000	0.000
76	A	2088	MET	0	0.033	0.011	32.735	0.002	0.002	0.000	0.000	0.000	0.000
77	A	2089	THR	0	-0.020	-0.010	34.242	0.000	0.000	0.000	0.000	0.000	0.000
78	A	2090	ASN	0	-0.091	-0.058	28.775	0.007	0.007	0.000	0.000	0.000	0.000
79	A	2091	LEU	0	0.016	0.000	32.647	0.002	0.002	0.000	0.000	0.000	0.000
80	A	2092	ASN	0	0.049	0.016	34.567	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	2093	ASP	-1	-0.841	-0.896	34.043	0.082	0.082	0.000	0.000	0.000	0.000
82	A	2094	TYR	0	-0.137	-0.056	29.182	0.006	0.006	0.000	0.000	0.000	0.000
83	A	2095	PHE	0	0.030	0.016	32.584	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	2096	SER	0	-0.023	0.003	37.938	0.000	0.000	0.000	0.000	0.000	0.000
85	A	2097	GLU	-1	-0.858	-0.948	41.363	0.044	0.044	0.000	0.000	0.000	0.000
86	A	2098	GLU	-1	-0.939	-0.959	43.273	0.032	0.032	0.000	0.000	0.000	0.000
87	A	2099	THR	0	-0.015	-0.025	39.013	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	2100	VAL	0	0.006	-0.009	37.582	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	2101	GLU	-1	-0.946	-0.965	39.773	0.031	0.031	0.000	0.000	0.000	0.000
90	A	2102	MET	0	-0.028	-0.018	41.563	-0.003	-0.003	0.000	0.000	0.000	0.000
91	A	2103	MET	0	-0.032	0.000	34.508	-0.001	-0.001	0.000	0.000	0.000	0.000
92	A	2104	LEU	0	-0.006	-0.005	38.056	-0.001	-0.001	0.000	0.000	0.000	0.000
93	A	2105	SER	0	-0.076	-0.023	39.687	-0.002	-0.002	0.000	0.000	0.000	0.000
94	A	2106	ASN	0	-0.038	-0.026	37.564	-0.005	-0.005	0.000	0.000	0.000	0.000
95	A	2107	ILE	0	-0.076	-0.042	33.908	0.001	0.001	0.000	0.000	0.000	0.000
96	A	2108	GLU	-1	-0.846	-0.912	34.782	0.018	0.018	0.000	0.000	0.000	0.000
97	A	2109	VAL	0	-0.025	-0.004	31.829	0.003	0.003	0.000	0.000	0.000	0.000
98	A	2110	ILE	0	0.006	-0.002	29.860	-0.004	-0.004	0.000	0.000	0.000	0.000
99	A	2111	VAL	0	-0.002	-0.001	29.966	0.005	0.005	0.000	0.000	0.000	0.000
100	A	2112	GLY	0	0.030	0.023	27.393	-0.005	-0.005	0.000	0.000	0.000	0.000
101	A	2113	ASP	-1	-0.876	-0.959	27.411	0.043	0.043	0.000	0.000	0.000	0.000
102	A	2114	PHE	0	-0.058	-0.039	23.124	-0.001	-0.001	0.000	0.000	0.000	0.000
103	A	2115	GLU	-1	-0.867	-0.929	21.924	0.080	0.080	0.000	0.000	0.000	0.000
104	A	2116	CYS	0	-0.022	0.003	24.653	-0.008	-0.008	0.000	0.000	0.000	0.000
105	A	2117	MET	0	-0.044	-0.022	19.322	-0.012	-0.012	0.000	0.000	0.000	0.000
106	A	2118	ASP	-1	-0.850	-0.952	22.675	0.037	0.037	0.000	0.000	0.000	0.000
107	A	2119	ASP	-1	-0.967	-0.936	24.405	-0.027	-0.027	0.000	0.000	0.000	0.000
108	A	2120	VAL	0	-0.043	-0.023	26.823	0.000	0.000	0.000	0.000	0.000	0.000
109	A	2121	VAL	0	-0.028	-0.018	29.101	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	2122	LEU	0	-0.021	-0.029	28.076	0.005	0.005	0.000	0.000	0.000	0.000
111	A	2123	PRO	0	-0.024	-0.011	32.541	-0.003	-0.003	0.000	0.000	0.000	0.000
112	A	2124	GLU	-1	-0.922	-0.946	34.556	-0.001	-0.001	0.000	0.000	0.000	0.000
113	A	2125	ASN	0	0.012	-0.006	32.527	-0.003	-0.003	0.000	0.000	0.000	0.000
114	A	2126	MET	0	-0.076	-0.040	29.215	0.004	0.004	0.000	0.000	0.000	0.000
115	A	2127	ASP	-1	-0.816	-0.906	30.438	-0.011	-0.011	0.000	0.000	0.000	0.000
116	A	2128	THR	0	-0.024	-0.010	26.712	-0.005	-0.005	0.000	0.000	0.000	0.000
117	A	2129	ILE	0	-0.004	0.020	22.880	0.005	0.005	0.000	0.000	0.000	0.000
118	A	2130	ILE	0	0.017	0.009	22.899	-0.002	-0.002	0.000	0.000	0.000	0.000
119	A	2131	HIS	0	-0.020	-0.032	16.719	0.010	0.010	0.000	0.000	0.000	0.000
120	A	2132	ALA	0	0.044	0.021	18.741	0.011	0.011	0.000	0.000	0.000	0.000
121	A	2133	GLY	0	-0.045	-0.024	19.443	-0.003	-0.003	0.000	0.000	0.000	0.000
122	A	2134	ALA	0	0.028	0.020	15.490	-0.008	-0.008	0.000	0.000	0.000	0.000
123	A	2135	ARG	1	0.883	0.939	17.388	-0.148	-0.148	0.000	0.000	0.000	0.000
124	A	2136	THR	0	-0.005	-0.007	17.520	0.040	0.040	0.000	0.000	0.000	0.000
125	A	2144	GLU	-1	-0.850	-0.923	10.197	0.285	0.285	0.000	0.000	0.000	0.000
126	A	2145	PHE	0	0.007	-0.008	12.960	-0.059	-0.059	0.000	0.000	0.000	0.000
127	A	2146	GLU	-1	-0.810	-0.888	6.509	1.312	1.312	0.000	0.000	0.000	0.000
128	A	2147	LYS	1	0.894	0.934	10.359	-0.192	-0.192	0.000	0.000	0.000	0.000
129	A	2148	VAL	0	0.036	0.016	12.186	-0.040	-0.040	0.000	0.000	0.000	0.000
130	A	2149	ASN	0	0.028	0.015	12.489	-0.066	-0.066	0.000	0.000	0.000	0.000
131	A	2150	VAL	0	-0.022	0.007	8.684	-0.032	-0.032	0.000	0.000	0.000	0.000
132	A	2151	GLN	0	-0.035	-0.029	11.995	-0.050	-0.050	0.000	0.000	0.000	0.000
133	A	2152	GLY	0	0.016	0.020	15.269	-0.016	-0.016	0.000	0.000	0.000	0.000
134	A	2153	THR	0	-0.002	-0.057	12.902	-0.008	-0.008	0.000	0.000	0.000	0.000
135	A	2154	VAL	0	-0.046	-0.026	13.990	-0.024	-0.024	0.000	0.000	0.000	0.000
136	A	2155	ASP	-1	-0.780	-0.883	16.598	-0.013	-0.013	0.000	0.000	0.000	0.000
137	A	2156	VAL	0	0.009	0.003	18.823	-0.006	-0.006	0.000	0.000	0.000	0.000
138	A	2157	ILE	0	-0.050	-0.017	15.396	-0.007	-0.007	0.000	0.000	0.000	0.000
139	A	2158	ARG	1	0.863	0.930	19.746	0.017	0.017	0.000	0.000	0.000	0.000
140	A	2159	LEU	0	0.015	0.009	22.199	-0.002	-0.002	0.000	0.000	0.000	0.000
141	A	2160	ALA	0	0.021	-0.005	22.675	0.000	0.000	0.000	0.000	0.000	0.000
142	A	2161	GLN	0	-0.029	-0.018	20.537	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	2162	GLN	0	-0.079	-0.034	24.761	0.001	0.001	0.000	0.000	0.000	0.000
144	A	2163	HIS	0	0.014	0.023	27.556	0.002	0.002	0.000	0.000	0.000	0.000
145	A	2164	HIS	0	-0.066	-0.013	27.735	0.005	0.005	0.000	0.000	0.000	0.000
146	A	2165	ALA	0	0.003	0.015	26.429	0.003	0.003	0.000	0.000	0.000	0.000
147	A	2166	ARG	1	0.748	0.855	24.799	0.011	0.011	0.000	0.000	0.000	0.000
148	A	2167	LEU	0	-0.005	0.000	18.399	0.007	0.007	0.000	0.000	0.000	0.000
149	A	2168	ILE	0	-0.021	-0.017	20.996	-0.005	-0.005	0.000	0.000	0.000	0.000
150	A	2169	TYR	0	0.031	0.004	12.842	0.019	0.019	0.000	0.000	0.000	0.000
151	A	2170	VAL	0	-0.003	0.003	17.461	0.000	0.000	0.000	0.000	0.000	0.000
152	A	2171	SER	0	-0.029	-0.050	11.776	0.043	0.043	0.000	0.000	0.000	0.000
153	A	2172	THR	0	-0.022	0.009	11.797	0.014	0.014	0.000	0.000	0.000	0.000
154	A	2173	ILE	0	0.079	0.025	12.275	0.009	0.009	0.000	0.000	0.000	0.000
155	A	2174	SER	0	-0.024	-0.038	12.124	0.022	0.022	0.000	0.000	0.000	0.000
156	A	2175	VAL	0	-0.088	-0.036	7.667	0.113	0.113	0.000	0.000	0.000	0.000
157	A	2176	GLY	0	0.034	0.003	7.558	-0.028	-0.028	0.000	0.000	0.000	0.000
158	A	2177	THR	0	-0.021	-0.002	10.028	-0.032	-0.032	0.000	0.000	0.000	0.000
159	A	2178	TYR	0	0.024	0.020	10.161	-0.032	-0.032	0.000	0.000	0.000	0.000
160	A	2179	PHE	0	0.026	0.021	9.044	0.093	0.093	0.000	0.000	0.000	0.000
161	A	2180	ASP	-1	-0.795	-0.890	10.189	0.457	0.457	0.000	0.000	0.000	0.000
162	A	2181	ILE	0	-0.043	-0.028	11.579	-0.066	-0.066	0.000	0.000	0.000	0.000
163	A	2182	ASP	-1	-0.915	-0.941	13.919	0.139	0.139	0.000	0.000	0.000	0.000
164	A	2183	THR	0	-0.113	-0.053	10.520	-0.031	-0.031	0.000	0.000	0.000	0.000
165	A	2184	GLU	-1	-0.887	-0.949	13.851	0.075	0.075	0.000	0.000	0.000	0.000
166	A	2185	ASP	-1	-0.921	-0.973	14.315	-0.015	-0.015	0.000	0.000	0.000	0.000
167	A	2186	VAL	0	0.011	0.009	13.166	0.005	0.005	0.000	0.000	0.000	0.000
168	A	2187	THR	0	-0.023	-0.009	14.564	0.017	0.017	0.000	0.000	0.000	0.000
169	A	2188	PHE	0	0.017	0.001	9.662	0.004	0.004	0.000	0.000	0.000	0.000
170	A	2189	SER	0	0.027	0.028	14.791	0.012	0.012	0.000	0.000	0.000	0.000
171	A	2190	GLU	-1	-0.823	-0.918	15.137	0.009	0.009	0.000	0.000	0.000	0.000
172	A	2191	ALA	0	-0.020	-0.014	16.662	-0.014	-0.014	0.000	0.000	0.000	0.000
173	A	2192	ASP	-1	-0.849	-0.916	11.884	-0.090	-0.090	0.000	0.000	0.000	0.000
174	A	2193	VAL	0	-0.020	-0.031	8.033	0.011	0.011	0.000	0.000	0.000	0.000
175	A	2194	TYR	0	-0.022	-0.025	2.060	-0.558	-1.924	5.232	-1.319	-2.547	0.000
176	A	2195	LYS	1	0.844	0.919	7.509	-0.025	-0.025	0.000	0.000	0.000	0.000
177	A	2196	GLY	0	0.020	-0.008	5.891	-0.012	-0.012	0.000	0.000	0.000	0.000
178	A	2197	GLN	0	-0.049	0.022	5.817	0.035	0.035	0.000	0.000	0.000	0.000
179	A	2198	LEU	0	-0.002	0.005	4.442	0.016	0.179	-0.001	-0.010	-0.152	0.000
180	A	2199	LEU	0	-0.043	-0.018	2.931	-1.129	-0.312	0.164	-0.168	-0.812	0.000
181	A	2200	THR	0	0.039	0.019	5.110	0.726	0.830	-0.001	-0.002	-0.100	0.000
182	A	2201	SER	0	0.024	0.022	7.576	0.029	0.029	0.000	0.000	0.000	0.000
183	A	2202	PRO	0	0.063	0.025	8.006	0.157	0.157	0.000	0.000	0.000	0.000
184	A	2203	TYR	0	-0.006	-0.008	9.028	-0.111	-0.111	0.000	0.000	0.000	0.000
185	A	2204	THR	0	0.069	0.020	7.613	-0.073	-0.073	0.000	0.000	0.000	0.000
186	A	2205	ARG	1	0.800	0.883	3.116	-3.281	-2.653	0.044	-0.131	-0.542	0.000
187	A	2206	SER	0	0.020	0.000	5.633	-0.226	-0.226	0.000	0.000	0.000	0.000
188	A	2207	LYS	1	0.846	0.943	8.265	-0.334	-0.334	0.000	0.000	0.000	0.000
189	A	2208	PHE	0	0.059	0.037	2.715	-1.125	-0.260	0.549	-0.335	-1.079	-0.002
190	A	2209	TYR	0	0.024	0.009	2.453	-0.915	-0.717	3.479	-0.908	-2.770	-0.010
191	A	2210	SER	0	-0.016	0.027	6.790	-0.111	-0.111	0.000	0.000	0.000	0.000
192	A	2211	GLU	-1	-0.719	-0.811	9.083	-0.004	-0.004	0.000	0.000	0.000	0.000
193	A	2212	LEU	0	0.014	0.002	5.231	-0.058	-0.058	0.000	0.000	0.000	0.000
194	A	2213	LYS	1	0.908	0.967	9.398	0.215	0.215	0.000	0.000	0.000	0.000
195	A	2214	VAL	0	0.036	0.025	12.042	-0.006	-0.006	0.000	0.000	0.000	0.000
196	A	2215	LEU	0	-0.019	-0.016	11.031	-0.002	-0.002	0.000	0.000	0.000	0.000
197	A	2216	GLU	-1	-0.830	-0.920	12.947	-0.270	-0.270	0.000	0.000	0.000	0.000
198	A	2217	ALA	0	-0.020	-0.011	14.544	0.011	0.011	0.000	0.000	0.000	0.000
199	A	2218	VAL	0	-0.027	-0.011	17.146	0.008	0.008	0.000	0.000	0.000	0.000
200	A	2219	ASN	0	-0.096	-0.031	16.780	0.023	0.023	0.000	0.000	0.000	0.000
201	A	2220	ASN	0	-0.060	-0.022	18.047	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	2221	GLY	0	-0.044	-0.029	20.853	0.010	0.010	0.000	0.000	0.000	0.000
203	A	2222	LEU	0	-0.044	-0.012	20.033	0.011	0.011	0.000	0.000	0.000	0.000
204	A	2223	ASP	-1	-0.767	-0.850	21.991	-0.038	-0.038	0.000	0.000	0.000	0.000
205	A	2224	GLY	0	0.020	0.006	19.898	0.009	0.009	0.000	0.000	0.000	0.000
206	A	2225	ARG	1	0.786	0.879	19.486	0.017	0.017	0.000	0.000	0.000	0.000
207	A	2226	ILE	0	0.015	0.009	13.151	0.011	0.011	0.000	0.000	0.000	0.000
208	A	2227	VAL	0	0.009	-0.002	16.951	-0.003	-0.003	0.000	0.000	0.000	0.000
209	A	2228	ARG	1	0.745	0.851	10.645	0.001	0.001	0.000	0.000	0.000	0.000
210	A	2229	VAL	0	0.006	-0.007	16.301	-0.007	-0.007	0.000	0.000	0.000	0.000
211	A	2230	GLY	0	0.011	-0.003	17.207	0.023	0.023	0.000	0.000	0.000	0.000
212	A	2231	ASN	0	-0.054	-0.020	19.320	0.028	0.028	0.000	0.000	0.000	0.000
213	A	2232	LEU	0	-0.031	-0.017	21.042	-0.015	-0.015	0.000	0.000	0.000	0.000
214	A	2233	THR	0	-0.008	-0.001	23.396	0.007	0.007	0.000	0.000	0.000	0.000
215	A	2234	SER	0	-0.057	-0.044	26.900	-0.003	-0.003	0.000	0.000	0.000	0.000
216	A	2235	PRO	0	0.025	0.022	30.230	0.002	0.002	0.000	0.000	0.000	0.000
217	A	2236	TYR	0	-0.046	-0.023	31.816	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	2237	ASN	0	-0.038	-0.043	33.508	-0.002	-0.002	0.000	0.000	0.000	0.000
219	A	2238	GLY	0	0.063	0.035	35.934	-0.002	-0.002	0.000	0.000	0.000	0.000
220	A	2239	ARG	1	0.855	0.945	35.956	-0.062	-0.062	0.000	0.000	0.000	0.000
221	A	2240	TRP	0	0.022	-0.001	33.591	0.005	0.005	0.000	0.000	0.000	0.000
222	A	2241	HIS	0	-0.004	0.004	32.726	0.008	0.008	0.000	0.000	0.000	0.000
223	A	2242	MET	0	0.047	0.039	26.146	0.003	0.003	0.000	0.000	0.000	0.000
224	A	2243	ARG	1	0.852	0.910	29.034	-0.091	-0.091	0.000	0.000	0.000	0.000
225	A	2244	ASN	0	-0.028	-0.028	25.884	0.002	0.002	0.000	0.000	0.000	0.000
226	A	2245	ILE	0	0.083	0.045	26.201	0.015	0.015	0.000	0.000	0.000	0.000
227	A	2246	LYS	1	0.896	0.943	27.259	-0.117	-0.117	0.000	0.000	0.000	0.000
228	A	2247	THR	0	-0.039	-0.005	23.766	0.009	0.009	0.000	0.000	0.000	0.000
229	A	2248	ASN	0	0.050	0.029	22.521	0.019	0.019	0.000	0.000	0.000	0.000
230	A	2249	ARG	1	0.980	0.986	16.064	-0.447	-0.447	0.000	0.000	0.000	0.000
231	A	2250	PHE	0	0.065	0.046	22.065	-0.005	-0.005	0.000	0.000	0.000	0.000
232	A	2251	SER	0	0.024	-0.014	23.550	-0.017	-0.017	0.000	0.000	0.000	0.000
233	A	2252	MET	0	-0.054	-0.013	22.867	-0.014	-0.014	0.000	0.000	0.000	0.000
234	A	2253	VAL	0	0.052	0.032	22.736	-0.010	-0.010	0.000	0.000	0.000	0.000
235	A	2254	MET	0	-0.004	0.003	26.007	-0.018	-0.018	0.000	0.000	0.000	0.000
236	A	2255	ASN	0	0.004	-0.004	28.708	-0.020	-0.020	0.000	0.000	0.000	0.000
237	A	2256	ASP	-1	-0.787	-0.883	28.185	0.173	0.173	0.000	0.000	0.000	0.000
238	A	2257	LEU	0	0.003	-0.018	27.243	-0.011	-0.011	0.000	0.000	0.000	0.000
239	A	2258	LEU	0	-0.042	-0.023	31.092	-0.012	-0.012	0.000	0.000	0.000	0.000
240	A	2259	GLN	0	-0.112	-0.058	33.950	-0.008	-0.008	0.000	0.000	0.000	0.000
241	A	2260	LEU	0	-0.005	0.021	31.601	-0.007	-0.007	0.000	0.000	0.000	0.000
242	A	2261	ASP	-1	-0.850	-0.923	35.467	0.084	0.084	0.000	0.000	0.000	0.000
243	A	2262	CYS	0	-0.120	-0.066	35.723	-0.003	-0.003	0.000	0.000	0.000	0.000
244	A	2263	ILE	0	-0.014	-0.001	28.744	0.006	0.006	0.000	0.000	0.000	0.000
245	A	2264	GLY	0	0.071	0.044	29.633	-0.007	-0.007	0.000	0.000	0.000	0.000
246	A	2265	VAL	0	-0.021	-0.030	28.277	0.002	0.002	0.000	0.000	0.000	0.000
247	A	2266	SER	0	0.052	0.036	24.033	-0.004	-0.004	0.000	0.000	0.000	0.000
248	A	2267	MET	0	-0.038	-0.001	22.680	0.006	0.006	0.000	0.000	0.000	0.000
249	A	2268	ALA	0	-0.022	-0.026	26.207	-0.003	-0.003	0.000	0.000	0.000	0.000
250	A	2269	GLU	-1	-0.924	-0.973	25.509	0.139	0.139	0.000	0.000	0.000	0.000
251	A	2270	MET	0	0.009	0.031	20.589	-0.005	-0.005	0.000	0.000	0.000	0.000
252	A	2271	PRO	0	-0.030	-0.008	21.155	-0.016	-0.016	0.000	0.000	0.000	0.000
253	A	2272	VAL	0	0.035	0.007	22.693	0.018	0.018	0.000	0.000	0.000	0.000
254	A	2273	ASP	-1	-0.842	-0.937	21.529	0.153	0.153	0.000	0.000	0.000	0.000
255	A	2274	PHE	0	0.034	-0.002	24.393	0.010	0.010	0.000	0.000	0.000	0.000
256	A	2275	SER	0	-0.001	0.003	22.985	-0.016	-0.016	0.000	0.000	0.000	0.000
257	A	2276	PHE	0	0.007	0.003	25.275	0.006	0.006	0.000	0.000	0.000	0.000
258	A	2277	VAL	0	0.009	0.024	25.738	-0.004	-0.004	0.000	0.000	0.000	0.000
259	A	2278	ASP	-1	-0.738	-0.874	27.209	0.067	0.067	0.000	0.000	0.000	0.000
260	A	2279	THR	0	-0.006	0.001	28.688	-0.003	-0.003	0.000	0.000	0.000	0.000
261	A	2280	THR	0	-0.019	-0.025	22.860	-0.003	-0.003	0.000	0.000	0.000	0.000
262	A	2281	ALA	0	-0.033	-0.010	25.877	-0.005	-0.005	0.000	0.000	0.000	0.000
263	A	2282	ARG	0	-0.032	-0.041	27.281	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	2283	GLN	0	0.035	0.007	26.298	-0.004	-0.004	0.000	0.000	0.000	0.000
265	A	2284	ILE	0	-0.027	-0.021	22.125	-0.006	-0.006	0.000	0.000	0.000	0.000
266	A	2285	VAL	0	0.009	0.000	25.395	-0.007	-0.007	0.000	0.000	0.000	0.000
267	A	2286	ALA	0	0.025	0.026	28.576	-0.006	-0.006	0.000	0.000	0.000	0.000
268	A	2287	LEU	0	-0.041	-0.026	22.813	-0.005	-0.005	0.000	0.000	0.000	0.000
269	A	2288	ALA	0	-0.055	-0.033	25.999	-0.007	-0.007	0.000	0.000	0.000	0.000
270	A	2289	GLN	0	-0.006	0.002	27.137	-0.006	-0.006	0.000	0.000	0.000	0.000
271	A	2290	VAL	0	0.017	0.044	28.195	-0.003	-0.003	0.000	0.000	0.000	0.000
272	A	2291	ASN	0	-0.046	-0.025	28.923	-0.004	-0.004	0.000	0.000	0.000	0.000
273	A	2292	THR	0	0.002	-0.010	25.259	-0.004	-0.004	0.000	0.000	0.000	0.000
274	A	2293	PRO	0	0.029	0.017	25.482	-0.002	-0.002	0.000	0.000	0.000	0.000
275	A	2294	GLN	0	-0.020	-0.003	21.291	-0.008	-0.008	0.000	0.000	0.000	0.000
276	A	2295	ILE	0	0.031	0.023	16.676	0.005	0.005	0.000	0.000	0.000	0.000
277	A	2296	ILE	0	-0.007	-0.005	13.295	0.008	0.008	0.000	0.000	0.000	0.000
278	A	2297	TYR	0	0.021	0.037	17.480	0.000	0.000	0.000	0.000	0.000	0.000
279	A	2298	HIS	0	-0.036	-0.036	15.707	0.015	0.015	0.000	0.000	0.000	0.000
280	A	2299	VAL	0	-0.008	0.005	19.432	-0.004	-0.004	0.000	0.000	0.000	0.000
281	A	2300	LEU	0	-0.013	-0.016	18.387	0.015	0.015	0.000	0.000	0.000	0.000
282	A	2301	SER	0	0.026	0.008	22.263	-0.013	-0.013	0.000	0.000	0.000	0.000
283	A	2302	PRO	0	-0.053	-0.011	24.154	0.009	0.009	0.000	0.000	0.000	0.000
284	A	2303	ASN	0	-0.039	-0.023	25.799	-0.007	-0.007	0.000	0.000	0.000	0.000
285	A	2304	LYS	1	0.962	0.991	20.256	-0.129	-0.129	0.000	0.000	0.000	0.000
286	A	2305	MET	0	-0.023	-0.008	26.017	-0.011	-0.011	0.000	0.000	0.000	0.000
287	A	2306	PRO	0	0.035	0.021	26.821	0.009	0.009	0.000	0.000	0.000	0.000
288	A	2307	VAL	0	0.052	0.019	25.941	-0.011	-0.011	0.000	0.000	0.000	0.000
289	A	2308	LYS	1	0.841	0.922	28.629	-0.101	-0.101	0.000	0.000	0.000	0.000
290	A	2309	SER	0	-0.015	-0.012	31.342	-0.009	-0.009	0.000	0.000	0.000	0.000
291	A	2310	LEU	0	0.014	0.009	29.505	-0.007	-0.007	0.000	0.000	0.000	0.000
292	A	2311	LEU	0	0.016	-0.013	31.681	-0.006	-0.006	0.000	0.000	0.000	0.000
293	A	2312	GLU	-1	-0.828	-0.883	34.188	0.069	0.069	0.000	0.000	0.000	0.000
294	A	2313	CYS	0	-0.007	0.002	35.776	-0.007	-0.007	0.000	0.000	0.000	0.000
295	A	2314	VAL	0	-0.055	-0.023	35.054	-0.004	-0.004	0.000	0.000	0.000	0.000
296	A	2315	LYS	1	0.868	0.954	36.010	-0.107	-0.107	0.000	0.000	0.000	0.000
297	A	2316	ARG	1	0.735	0.860	39.801	-0.074	-0.074	0.000	0.000	0.000	0.000
298	A	2317	LYS	1	0.879	0.921	41.023	-0.086	-0.086	0.000	0.000	0.000	0.000
299	A	2318	GLU	-1	-0.813	-0.881	38.454	0.087	0.087	0.000	0.000	0.000	0.000
300	A	2319	ILE	0	-0.067	-0.007	34.538	0.000	0.000	0.000	0.000	0.000	0.000
301	A	2320	GLU	-1	-0.845	-0.940	37.611	0.083	0.083	0.000	0.000	0.000	0.000
302	A	2321	LEU	0	-0.046	-0.020	31.640	0.007	0.007	0.000	0.000	0.000	0.000
303	A	2322	VAL	0	0.021	0.015	33.301	-0.004	-0.004	0.000	0.000	0.000	0.000
304	A	2323	SER	0	0.001	-0.025	32.499	0.009	0.009	0.000	0.000	0.000	0.000
305	A	2324	ASP	-1	-0.809	-0.915	25.890	0.207	0.207	0.000	0.000	0.000	0.000
306	A	2325	GLU	-1	-0.919	-0.951	28.995	0.165	0.165	0.000	0.000	0.000	0.000
307	A	2326	SER	0	-0.034	-0.030	30.755	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	2327	PHE	0	0.055	0.019	27.451	-0.003	-0.003	0.000	0.000	0.000	0.000
309	A	2328	ASN	0	0.059	0.030	26.634	0.013	0.013	0.000	0.000	0.000	0.000
310	A	2329	GLU	-1	-0.850	-0.900	29.240	0.122	0.122	0.000	0.000	0.000	0.000
311	A	2330	ILE	0	-0.043	-0.036	32.479	-0.002	-0.002	0.000	0.000	0.000	0.000
312	A	2331	LEU	0	0.004	0.000	26.999	-0.002	-0.002	0.000	0.000	0.000	0.000
313	A	2332	GLN	0	-0.025	-0.017	28.305	0.014	0.014	0.000	0.000	0.000	0.000
314	A	2333	LYS	1	0.772	0.878	30.591	-0.121	-0.121	0.000	0.000	0.000	0.000
315	A	2334	GLN	0	-0.081	-0.049	33.316	-0.011	-0.011	0.000	0.000	0.000	0.000
316	A	2335	ASP	-1	-0.850	-0.902	30.977	0.151	0.151	0.000	0.000	0.000	0.000
317	A	2336	MET	0	-0.067	-0.007	28.702	0.002	0.002	0.000	0.000	0.000	0.000
318	A	2337	TYR	0	-0.042	-0.048	24.689	0.017	0.017	0.000	0.000	0.000	0.000
319	A	2338	GLU	-1	-0.915	-0.962	23.344	0.280	0.280	0.000	0.000	0.000	0.000
320	A	2339	THR	0	-0.038	-0.054	22.796	0.023	0.023	0.000	0.000	0.000	0.000
321	A	2340	ILE	0	0.013	0.038	23.296	0.012	0.012	0.000	0.000	0.000	0.000
322	A	2341	GLY	0	0.018	0.009	20.102	0.022	0.022	0.000	0.000	0.000	0.000
323	A	2342	LEU	0	-0.060	-0.054	18.161	0.051	0.051	0.000	0.000	0.000	0.000
324	A	2343	THR	0	0.026	0.001	19.566	0.003	0.003	0.000	0.000	0.000	0.000
325	A	2344	SER	0	-0.037	-0.024	18.883	-0.010	-0.010	0.000	0.000	0.000	0.000
326	A	2345	VAL	0	-0.111	-0.048	14.154	0.049	0.049	0.000	0.000	0.000	0.000
327	A	2346	ASP	-1	-0.872	-0.937	15.890	0.355	0.355	0.000	0.000	0.000	0.000
328	A	2347	ARG	1	0.779	0.893	18.535	-0.298	-0.298	0.000	0.000	0.000	0.000
329	A	2348	GLU	-1	-0.842	-0.913	15.582	0.328	0.328	0.000	0.000	0.000	0.000
330	A	2349	GLN	0	-0.095	-0.062	11.162	0.248	0.248	0.000	0.000	0.000	0.000
331	A	2350	GLN	0	0.013	0.001	13.426	-0.089	-0.089	0.000	0.000	0.000	0.000
332	A	2351	LEU	0	-0.044	-0.033	13.870	0.036	0.036	0.000	0.000	0.000	0.000
333	A	2352	ALA	0	-0.010	0.009	13.125	-0.033	-0.033	0.000	0.000	0.000	0.000
334	A	2353	MET	0	-0.052	-0.012	15.223	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	2354	ILE	0	-0.052	-0.040	14.961	-0.016	-0.016	0.000	0.000	0.000	0.000
336	A	2355	ASP	-1	-0.873	-0.938	18.102	0.022	0.022	0.000	0.000	0.000	0.000
337	A	2356	THR	0	0.029	-0.009	19.548	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	2357	THR	0	-0.013	-0.005	22.024	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	2358	LEU	0	-0.014	0.000	22.242	-0.002	-0.002	0.000	0.000	0.000	0.000
340	A	2359	THR	0	0.031	-0.009	21.517	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	2360	LEU	0	-0.022	0.005	24.102	0.001	0.001	0.000	0.000	0.000	0.000
342	A	2361	LYS	1	0.930	0.981	26.969	-0.005	-0.005	0.000	0.000	0.000	0.000
343	A	2362	ILE	0	0.021	-0.002	25.031	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	2363	MET	0	-0.009	0.017	25.332	-0.001	-0.001	0.000	0.000	0.000	0.000
345	A	2364	ASN	0	-0.022	-0.026	29.478	0.002	0.002	0.000	0.000	0.000	0.000
346	A	2365	HIS	0	-0.065	-0.037	31.872	-0.002	-0.002	0.000	0.000	0.000	0.000
347	A	2366	ILE	0	0.008	0.022	29.759	-0.003	-0.003	0.000	0.000	0.000	0.000
348	A	2367	SER	0	-0.043	-0.016	33.596	0.003	0.003	0.000	0.000	0.000	0.000
349	A	2368	GLU	-1	-0.782	-0.863	30.758	0.035	0.035	0.000	0.000	0.000	0.000
350	A	2369	LYS	1	0.812	0.889	31.655	-0.028	-0.028	0.000	0.000	0.000	0.000
351	A	2370	TRP	0	0.023	0.015	24.821	0.004	0.004	0.000	0.000	0.000	0.000
352	A	2371	PRO	0	0.003	0.027	30.840	-0.003	-0.003	0.000	0.000	0.000	0.000
353	A	2372	THR	0	-0.023	-0.024	32.724	0.003	0.003	0.000	0.000	0.000	0.000
354	A	2373	ILE	0	0.043	0.025	31.455	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	2374	THR	0	0.006	-0.002	34.617	-0.001	-0.001	0.000	0.000	0.000	0.000
356	A	2375	ASN	0	0.008	-0.022	37.003	0.001	0.001	0.000	0.000	0.000	0.000
357	A	2376	ASN	0	0.010	0.000	39.048	0.003	0.003	0.000	0.000	0.000	0.000
358	A	2377	TRP	0	-0.010	0.002	30.812	0.003	0.003	0.000	0.000	0.000	0.000
359	A	2378	LEU	0	0.072	0.021	32.072	0.004	0.004	0.000	0.000	0.000	0.000
360	A	2379	TYR	0	-0.007	0.013	35.704	0.005	0.005	0.000	0.000	0.000	0.000
361	A	2380	HIS	0	-0.035	-0.032	38.331	0.001	0.001	0.000	0.000	0.000	0.000
362	A	2381	TRP	0	0.021	0.033	29.000	0.001	0.001	0.000	0.000	0.000	0.000
363	A	2382	ALA	0	0.041	0.010	34.454	0.005	0.005	0.000	0.000	0.000	0.000
364	A	2383	GLN	0	-0.006	-0.007	35.447	0.005	0.005	0.000	0.000	0.000	0.000
365	A	2384	TYR	0	0.018	0.032	31.878	0.001	0.001	0.000	0.000	0.000	0.000
366	A	2385	ILE	0	-0.003	0.009	30.359	0.001	0.001	0.000	0.000	0.000	0.000
367	A	2386	LYS	1	0.916	0.961	33.888	-0.107	-0.107	0.000	0.000	0.000	0.000
368	A	2387	THR	0	-0.047	-0.052	36.411	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	2388	ILE	0	-0.082	-0.020	32.693	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	2389	PHE	0	-0.034	-0.026	28.639	0.007	0.007	0.000	0.000	0.000	0.000
371	A	2390	ASN	0	-0.029	0.005	34.724	-0.004	-0.004	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:2013:VAL)