FMO DATABASE

FMODB ID: N91QQ

Calculation Name: 3PQ1-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3PQ1

Chain ID: A

ChEMBL ID:

UniProt ID: Q9NVV4

Base Structure: X-ray

Registration Date: 2023-06-21

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	380
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-5977661.848895
FMO2-HF: Nuclear repulsion	5827678.970969
FMO2-HF: Total energy	-149982.877926
FMO2-MP2: Total energy	-150415.895195

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:62:ARG)

Summations of interaction energy for fragment #1(A:62:ARG)

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.
-129.94	-126.228	0.626	-1.433	-2.907	0.001

Interaction energy analysis for fragmet #1(A:62:ARG)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 1.024 / q_NPA : 1.000

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	64	SER	0	0.047	0.011	3.888	0.257	1.748	-0.011	-0.671	-0.810	0.002
4	A	65	GLU	-1	-0.842	-0.915	2.481	-29.840	-29.182	0.614	-0.400	-0.872	0.000
5	A	66	MET	0	-0.049	-0.006	3.680	3.170	3.719	0.002	-0.169	-0.383	0.000
6	A	67	GLN	0	-0.006	-0.016	5.443	4.158	4.158	0.000	0.000	0.000	0.000
7	A	68	ASN	0	-0.017	-0.011	7.375	3.527	3.527	0.000	0.000	0.000	0.000
8	A	69	GLU	-1	-0.933	-0.957	8.035	-32.715	-32.715	0.000	0.000	0.000	0.000
9	A	70	ARG	1	0.830	0.892	9.164	29.474	29.474	0.000	0.000	0.000	0.000
10	A	71	ARG	1	0.869	0.912	11.425	17.579	17.579	0.000	0.000	0.000	0.000
11	A	72	GLU	-1	-0.858	-0.915	12.808	-17.202	-17.202	0.000	0.000	0.000	0.000
12	A	73	GLN	0	0.031	0.009	12.005	1.391	1.391	0.000	0.000	0.000	0.000
13	A	74	ALA	0	-0.002	0.001	15.440	1.151	1.151	0.000	0.000	0.000	0.000
14	A	75	GLN	0	0.005	0.000	16.911	0.726	0.726	0.000	0.000	0.000	0.000
15	A	76	ARG	1	0.750	0.878	15.164	18.498	18.498	0.000	0.000	0.000	0.000
16	A	77	THR	0	-0.094	-0.057	18.865	0.294	0.294	0.000	0.000	0.000	0.000
17	A	78	VAL	0	-0.004	0.006	21.451	0.318	0.318	0.000	0.000	0.000	0.000
18	A	79	LEU	0	-0.018	-0.007	24.796	-0.231	-0.231	0.000	0.000	0.000	0.000
19	A	80	ILE	0	-0.023	-0.015	26.386	0.392	0.392	0.000	0.000	0.000	0.000
20	A	81	HIS	0	-0.011	-0.033	30.066	0.064	0.064	0.000	0.000	0.000	0.000
21	A	82	CYS	0	-0.157	0.016	31.251	0.146	0.146	0.000	0.000	0.000	0.000
22	A	83	PRO	0	0.006	0.007	34.812	0.101	0.101	0.000	0.000	0.000	0.000
23	A	84	GLU	-1	-0.837	-0.935	35.668	-8.324	-8.324	0.000	0.000	0.000	0.000
24	A	85	LYN	0	-0.082	-0.025	36.587	-0.128	-0.128	0.000	0.000	0.000	0.000
25	A	86	ILE	0	0.008	-0.019	32.664	-0.112	-0.112	0.000	0.000	0.000	0.000
26	A	87	SER	0	0.015	0.033	28.331	-0.011	-0.011	0.000	0.000	0.000	0.000
27	A	88	GLU	-1	-0.874	-0.937	30.179	-8.813	-8.813	0.000	0.000	0.000	0.000
28	A	89	ASN	0	0.041	0.003	31.594	-0.205	-0.205	0.000	0.000	0.000	0.000
29	A	90	LYS	1	0.868	0.926	32.635	7.879	7.879	0.000	0.000	0.000	0.000
30	A	91	PHE	0	0.059	0.031	28.502	0.056	0.056	0.000	0.000	0.000	0.000
31	A	92	LEU	0	0.044	0.022	26.841	-0.037	-0.037	0.000	0.000	0.000	0.000
32	A	93	LYS	1	0.918	0.965	30.274	8.711	8.711	0.000	0.000	0.000	0.000
33	A	94	TYR	0	-0.002	0.008	32.910	0.108	0.108	0.000	0.000	0.000	0.000
34	A	95	LEU	0	0.032	0.012	28.682	0.003	0.003	0.000	0.000	0.000	0.000
35	A	96	SER	0	-0.007	-0.016	29.062	-0.079	-0.079	0.000	0.000	0.000	0.000
36	A	97	GLN	0	-0.076	-0.029	30.091	0.066	0.066	0.000	0.000	0.000	0.000
37	A	98	PHE	0	-0.041	-0.011	30.302	0.209	0.209	0.000	0.000	0.000	0.000
38	A	99	GLY	0	0.025	0.009	27.443	-0.147	-0.147	0.000	0.000	0.000	0.000
39	A	100	PRO	0	-0.056	-0.032	24.112	0.029	0.029	0.000	0.000	0.000	0.000
40	A	101	ILE	0	-0.012	0.003	22.920	0.176	0.176	0.000	0.000	0.000	0.000
41	A	102	ASN	0	-0.034	-0.008	17.242	0.575	0.575	0.000	0.000	0.000	0.000
42	A	103	ASN	0	-0.068	-0.051	16.467	-0.117	-0.117	0.000	0.000	0.000	0.000
43	A	104	HIS	0	0.019	0.000	19.884	0.535	0.535	0.000	0.000	0.000	0.000
44	A	105	PHE	0	-0.006	0.002	19.332	-0.273	-0.273	0.000	0.000	0.000	0.000
45	A	106	PHE	0	0.009	0.011	23.017	0.299	0.299	0.000	0.000	0.000	0.000
46	A	107	TYR	0	-0.068	-0.074	24.945	-0.566	-0.566	0.000	0.000	0.000	0.000
47	A	108	GLU	-1	-0.854	-0.940	27.126	-9.446	-9.446	0.000	0.000	0.000	0.000
48	A	109	SER	0	-0.094	-0.039	29.204	-0.252	-0.252	0.000	0.000	0.000	0.000
49	A	110	PHE	0	-0.020	-0.025	30.830	0.190	0.190	0.000	0.000	0.000	0.000
50	A	111	GLY	0	0.047	0.026	34.020	0.317	0.317	0.000	0.000	0.000	0.000
51	A	112	LEU	0	-0.013	0.027	31.902	-0.372	-0.372	0.000	0.000	0.000	0.000
52	A	113	TYR	0	0.045	-0.005	28.273	0.166	0.166	0.000	0.000	0.000	0.000
53	A	114	ALA	0	0.017	0.007	27.107	-0.211	-0.211	0.000	0.000	0.000	0.000
54	A	115	VAL	0	0.001	0.001	21.308	0.089	0.089	0.000	0.000	0.000	0.000
55	A	116	VAL	0	0.007	-0.006	23.113	-0.249	-0.249	0.000	0.000	0.000	0.000
56	A	117	GLU	-1	-0.746	-0.833	16.296	-18.409	-18.409	0.000	0.000	0.000	0.000
57	A	118	PHE	0	0.047	0.005	20.691	0.148	0.148	0.000	0.000	0.000	0.000
58	A	119	CYS	0	-0.076	-0.024	20.338	-0.530	-0.530	0.000	0.000	0.000	0.000
59	A	120	GLN	0	0.064	0.023	20.489	-0.821	-0.821	0.000	0.000	0.000	0.000
60	A	121	LYS	1	0.845	0.898	20.121	14.106	14.106	0.000	0.000	0.000	0.000
61	A	122	GLU	-1	-0.792	-0.895	25.490	-11.723	-11.723	0.000	0.000	0.000	0.000
62	A	123	SER	0	-0.097	-0.043	23.655	0.204	0.204	0.000	0.000	0.000	0.000
63	A	124	ILE	0	0.086	0.038	24.740	-0.073	-0.073	0.000	0.000	0.000	0.000
64	A	125	GLY	0	0.046	0.023	27.656	0.269	0.269	0.000	0.000	0.000	0.000
65	A	126	SER	0	-0.021	-0.014	30.203	0.357	0.357	0.000	0.000	0.000	0.000
66	A	127	LEU	0	0.025	0.011	28.942	0.291	0.291	0.000	0.000	0.000	0.000
67	A	128	GLN	0	0.005	0.000	29.273	0.300	0.300	0.000	0.000	0.000	0.000
68	A	129	ASN	0	-0.101	-0.049	33.264	0.476	0.476	0.000	0.000	0.000	0.000
69	A	130	GLY	0	0.025	0.015	35.995	0.193	0.193	0.000	0.000	0.000	0.000
70	A	131	THR	0	-0.042	-0.006	35.923	0.027	0.027	0.000	0.000	0.000	0.000
71	A	132	HIS	0	-0.041	-0.047	38.541	0.342	0.342	0.000	0.000	0.000	0.000
72	A	133	THR	0	-0.015	-0.022	40.720	0.156	0.156	0.000	0.000	0.000	0.000
73	A	134	PRO	0	-0.033	0.014	38.148	-0.059	-0.059	0.000	0.000	0.000	0.000
74	A	151	ALA	0	0.036	0.016	37.062	-0.064	-0.064	0.000	0.000	0.000	0.000
75	A	152	ALA	0	0.050	0.009	31.904	-0.222	-0.222	0.000	0.000	0.000	0.000
76	A	153	ALA	0	0.030	0.002	31.450	0.187	0.187	0.000	0.000	0.000	0.000
77	A	154	ALA	0	0.038	0.002	31.045	-0.148	-0.148	0.000	0.000	0.000	0.000
78	A	155	ALA	0	-0.028	-0.020	27.178	-0.311	-0.311	0.000	0.000	0.000	0.000
79	A	156	ALA	0	0.055	0.040	27.839	0.269	0.269	0.000	0.000	0.000	0.000
80	A	157	ALA	0	-0.020	-0.016	27.246	-0.491	-0.491	0.000	0.000	0.000	0.000
81	A	158	SER	0	-0.010	-0.015	28.005	0.457	0.457	0.000	0.000	0.000	0.000
82	A	173	ASN	0	-0.024	-0.035	28.406	-0.044	-0.044	0.000	0.000	0.000	0.000
83	A	174	LYS	1	0.917	0.967	30.055	8.731	8.731	0.000	0.000	0.000	0.000
84	A	175	GLN	0	0.030	0.010	31.246	-0.146	-0.146	0.000	0.000	0.000	0.000
85	A	176	LEU	0	0.055	0.040	25.399	0.060	0.060	0.000	0.000	0.000	0.000
86	A	177	PHE	0	-0.018	-0.015	29.163	-0.119	-0.119	0.000	0.000	0.000	0.000
87	A	178	GLU	-1	-0.871	-0.937	31.617	-8.648	-8.648	0.000	0.000	0.000	0.000
88	A	179	LEU	0	0.010	0.006	26.061	0.072	0.072	0.000	0.000	0.000	0.000
89	A	180	LEU	0	-0.001	-0.004	25.427	-0.100	-0.100	0.000	0.000	0.000	0.000
90	A	181	CYS	0	-0.080	-0.023	28.969	0.070	0.070	0.000	0.000	0.000	0.000
91	A	182	TYR	0	-0.035	-0.010	30.820	0.401	0.401	0.000	0.000	0.000	0.000
92	A	183	ALA	0	-0.011	0.017	26.496	-0.143	-0.143	0.000	0.000	0.000	0.000
93	A	184	GLU	-1	-0.886	-0.960	27.008	-9.822	-9.822	0.000	0.000	0.000	0.000
94	A	185	SER	0	-0.018	-0.008	25.291	-0.108	-0.108	0.000	0.000	0.000	0.000
95	A	186	ILE	0	0.053	0.025	26.164	-0.213	-0.213	0.000	0.000	0.000	0.000
96	A	187	ASP	-1	-0.764	-0.868	21.318	-14.236	-14.236	0.000	0.000	0.000	0.000
97	A	188	ASP	-1	-0.849	-0.908	21.670	-13.699	-13.699	0.000	0.000	0.000	0.000
98	A	189	GLN	0	0.004	0.001	23.069	-0.364	-0.364	0.000	0.000	0.000	0.000
99	A	190	LEU	0	-0.026	-0.019	21.191	-0.231	-0.231	0.000	0.000	0.000	0.000
100	A	191	ASN	0	-0.045	-0.037	17.093	-1.556	-1.556	0.000	0.000	0.000	0.000
101	A	192	THR	0	0.007	0.009	19.400	-0.540	-0.540	0.000	0.000	0.000	0.000
102	A	193	LEU	0	-0.022	-0.016	21.916	-0.087	-0.087	0.000	0.000	0.000	0.000
103	A	194	LEU	0	-0.044	-0.022	14.552	-0.201	-0.201	0.000	0.000	0.000	0.000
104	A	195	LYS	1	0.839	0.899	17.721	14.819	14.819	0.000	0.000	0.000	0.000
105	A	196	GLU	-1	-0.848	-0.910	18.735	-13.758	-13.758	0.000	0.000	0.000	0.000
106	A	197	PHE	0	0.015	-0.012	20.788	0.696	0.696	0.000	0.000	0.000	0.000
107	A	198	GLN	0	0.039	0.037	14.422	-1.113	-1.113	0.000	0.000	0.000	0.000
108	A	199	LEU	0	-0.050	-0.021	15.024	0.534	0.534	0.000	0.000	0.000	0.000
109	A	200	THR	0	0.005	-0.008	15.359	-0.924	-0.924	0.000	0.000	0.000	0.000
110	A	201	GLU	-1	-0.737	-0.855	11.817	-22.742	-22.742	0.000	0.000	0.000	0.000
111	A	202	GLU	-1	-0.808	-0.882	14.383	-17.464	-17.464	0.000	0.000	0.000	0.000
112	A	203	ASN	0	0.029	0.009	17.968	0.266	0.266	0.000	0.000	0.000	0.000
113	A	204	THR	0	-0.017	-0.013	11.752	0.181	0.181	0.000	0.000	0.000	0.000
114	A	205	LYS	1	0.863	0.925	14.636	19.768	19.768	0.000	0.000	0.000	0.000
115	A	206	LEU	0	-0.001	0.018	15.969	0.600	0.600	0.000	0.000	0.000	0.000
116	A	207	ARG	1	0.811	0.885	16.266	16.255	16.255	0.000	0.000	0.000	0.000
117	A	208	TYR	0	0.045	0.008	10.373	0.185	0.185	0.000	0.000	0.000	0.000
118	A	209	LEU	0	0.018	0.022	16.447	0.412	0.412	0.000	0.000	0.000	0.000
119	A	210	THR	0	-0.021	-0.024	19.592	0.499	0.499	0.000	0.000	0.000	0.000
120	A	211	CYS	0	-0.091	-0.034	17.913	0.456	0.456	0.000	0.000	0.000	0.000
121	A	212	SER	0	0.073	0.032	18.918	0.256	0.256	0.000	0.000	0.000	0.000
122	A	213	LEU	0	-0.009	0.000	20.436	0.551	0.551	0.000	0.000	0.000	0.000
123	A	214	ILE	0	-0.026	-0.020	23.143	0.581	0.581	0.000	0.000	0.000	0.000
124	A	215	GLU	-1	-0.776	-0.860	18.531	-14.202	-14.202	0.000	0.000	0.000	0.000
125	A	216	ASP	-1	-0.880	-0.925	22.675	-11.433	-11.433	0.000	0.000	0.000	0.000
126	A	217	MET	0	-0.100	-0.038	25.356	0.575	0.575	0.000	0.000	0.000	0.000
127	A	218	ALA	0	-0.016	-0.016	24.377	0.403	0.403	0.000	0.000	0.000	0.000
128	A	219	ALA	0	0.049	0.013	23.928	0.267	0.267	0.000	0.000	0.000	0.000
129	A	220	ALA	0	-0.028	-0.006	25.737	0.249	0.249	0.000	0.000	0.000	0.000
130	A	221	TYR	0	-0.093	-0.055	28.554	0.483	0.483	0.000	0.000	0.000	0.000
131	A	222	PHE	0	-0.008	-0.031	25.050	0.326	0.326	0.000	0.000	0.000	0.000
132	A	223	PRO	0	0.029	0.027	24.645	-0.379	-0.379	0.000	0.000	0.000	0.000
133	A	224	ASP	-1	-0.880	-0.937	21.007	-11.840	-11.840	0.000	0.000	0.000	0.000
134	A	225	CYS	0	-0.129	-0.039	20.203	-0.406	-0.406	0.000	0.000	0.000	0.000
135	A	226	ILE	0	0.028	0.001	14.565	-0.570	-0.570	0.000	0.000	0.000	0.000
136	A	227	VAL	0	-0.063	-0.026	18.054	0.135	0.135	0.000	0.000	0.000	0.000
137	A	228	ARG	1	0.891	0.944	9.237	19.902	19.902	0.000	0.000	0.000	0.000
138	A	229	PRO	0	0.021	0.004	13.774	0.603	0.603	0.000	0.000	0.000	0.000
139	A	230	PHE	0	-0.055	-0.039	13.794	-0.988	-0.988	0.000	0.000	0.000	0.000
140	A	231	GLY	0	0.049	0.025	14.819	0.293	0.293	0.000	0.000	0.000	0.000
141	A	232	SER	0	-0.052	-0.049	15.168	-1.102	-1.102	0.000	0.000	0.000	0.000
142	A	233	SER	0	-0.004	0.004	15.958	0.140	0.140	0.000	0.000	0.000	0.000
143	A	234	VAL	0	-0.048	-0.011	9.758	-0.647	-0.647	0.000	0.000	0.000	0.000
144	A	235	ASN	0	0.038	0.038	10.329	-2.131	-2.131	0.000	0.000	0.000	0.000
145	A	236	THR	0	0.079	0.019	9.117	-2.005	-2.005	0.000	0.000	0.000	0.000
146	A	237	PHE	0	-0.020	0.001	12.114	0.882	0.882	0.000	0.000	0.000	0.000
147	A	238	GLY	0	0.035	0.035	15.031	1.459	1.459	0.000	0.000	0.000	0.000
148	A	239	LYS	1	0.837	0.928	16.810	12.606	12.606	0.000	0.000	0.000	0.000
149	A	240	LEU	0	0.005	-0.002	19.879	0.331	0.331	0.000	0.000	0.000	0.000
150	A	241	GLY	0	0.012	0.001	21.776	0.541	0.541	0.000	0.000	0.000	0.000
151	A	242	CYS	0	-0.107	-0.023	20.035	0.236	0.236	0.000	0.000	0.000	0.000
152	A	243	ASP	-1	-0.842	-0.927	22.484	-11.889	-11.889	0.000	0.000	0.000	0.000
153	A	244	LEU	0	-0.043	-0.023	18.398	-0.811	-0.811	0.000	0.000	0.000	0.000
154	A	245	ASP	-1	-0.902	-0.950	18.518	-13.855	-13.855	0.000	0.000	0.000	0.000
155	A	246	MET	0	0.027	0.000	18.383	-0.692	-0.692	0.000	0.000	0.000	0.000
156	A	247	PHE	0	-0.050	-0.030	15.776	0.711	0.711	0.000	0.000	0.000	0.000
157	A	248	LEU	0	0.009	0.012	18.050	-0.428	-0.428	0.000	0.000	0.000	0.000
158	A	249	ASP	-1	-0.796	-0.904	15.834	-13.915	-13.915	0.000	0.000	0.000	0.000
159	A	250	LEU	0	-0.024	-0.026	18.815	0.261	0.261	0.000	0.000	0.000	0.000
160	A	251	ASP	-1	-0.776	-0.871	18.620	-11.874	-11.874	0.000	0.000	0.000	0.000
161	A	252	GLU	-1	-0.878	-0.929	20.577	-12.083	-12.083	0.000	0.000	0.000	0.000
162	A	253	THR	0	-0.070	-0.029	22.329	0.619	0.619	0.000	0.000	0.000	0.000
163	A	254	ARG	1	0.812	0.879	22.601	10.670	10.670	0.000	0.000	0.000	0.000
164	A	255	ASN	0	-0.035	-0.036	27.323	0.433	0.433	0.000	0.000	0.000	0.000
165	A	256	LEU	0	-0.098	-0.026	29.842	0.134	0.134	0.000	0.000	0.000	0.000
166	A	257	SER	0	0.026	0.028	30.349	0.133	0.133	0.000	0.000	0.000	0.000
167	A	258	ALA	0	0.012	0.003	32.365	-0.019	-0.019	0.000	0.000	0.000	0.000
168	A	259	HIS	0	0.054	0.004	35.745	-0.014	-0.014	0.000	0.000	0.000	0.000
169	A	260	LYS	1	0.832	0.958	38.842	7.018	7.018	0.000	0.000	0.000	0.000
170	A	261	ILE	0	0.053	0.015	36.791	-0.061	-0.061	0.000	0.000	0.000	0.000
171	A	262	SER	0	-0.055	-0.042	38.876	0.286	0.286	0.000	0.000	0.000	0.000
172	A	263	GLY	0	0.085	0.041	39.774	-0.088	-0.088	0.000	0.000	0.000	0.000
173	A	264	ASN	0	-0.069	-0.035	41.008	0.029	0.029	0.000	0.000	0.000	0.000
174	A	265	PHE	0	0.011	-0.013	40.948	0.085	0.085	0.000	0.000	0.000	0.000
175	A	266	LEU	0	-0.044	-0.007	36.874	-0.054	-0.054	0.000	0.000	0.000	0.000
176	A	267	MET	0	-0.009	0.003	37.021	-0.140	-0.140	0.000	0.000	0.000	0.000
177	A	268	GLU	-1	-0.889	-0.930	33.653	-8.188	-8.188	0.000	0.000	0.000	0.000
178	A	269	PHE	0	0.037	0.006	30.887	0.215	0.215	0.000	0.000	0.000	0.000
179	A	270	GLN	0	-0.027	-0.010	35.245	0.170	0.170	0.000	0.000	0.000	0.000
180	A	271	VAL	0	0.049	0.022	32.211	-0.015	-0.015	0.000	0.000	0.000	0.000
181	A	272	LYS	1	0.910	0.950	35.199	7.584	7.584	0.000	0.000	0.000	0.000
182	A	273	ASN	0	0.024	0.001	35.215	-0.154	-0.154	0.000	0.000	0.000	0.000
183	A	274	VAL	0	0.061	0.035	31.255	0.111	0.111	0.000	0.000	0.000	0.000
184	A	275	PRO	0	-0.035	-0.014	34.434	0.024	0.024	0.000	0.000	0.000	0.000
185	A	276	SER	0	0.042	0.007	32.408	-0.051	-0.051	0.000	0.000	0.000	0.000
186	A	277	GLU	-1	-0.737	-0.862	26.360	-9.815	-9.815	0.000	0.000	0.000	0.000
187	A	278	ARG	1	0.816	0.938	28.771	8.730	8.730	0.000	0.000	0.000	0.000
188	A	279	ILE	0	0.012	0.005	30.209	-0.031	-0.031	0.000	0.000	0.000	0.000
189	A	280	ALA	0	0.013	0.009	29.735	0.064	0.064	0.000	0.000	0.000	0.000
190	A	281	THR	0	0.033	-0.002	26.300	-0.145	-0.145	0.000	0.000	0.000	0.000
191	A	282	GLN	0	-0.024	-0.029	28.644	0.026	0.026	0.000	0.000	0.000	0.000
192	A	283	LYS	1	0.926	0.972	31.650	7.837	7.837	0.000	0.000	0.000	0.000
193	A	284	ILE	0	0.045	0.033	27.171	0.133	0.133	0.000	0.000	0.000	0.000
194	A	285	LEU	0	0.025	0.021	26.106	0.038	0.038	0.000	0.000	0.000	0.000
195	A	286	SER	0	-0.079	-0.053	29.883	0.150	0.150	0.000	0.000	0.000	0.000
196	A	287	VAL	0	0.003	0.009	32.736	0.144	0.144	0.000	0.000	0.000	0.000
197	A	288	LEU	0	0.049	0.029	26.736	0.068	0.068	0.000	0.000	0.000	0.000
198	A	289	GLY	0	0.025	0.002	30.755	-0.058	-0.058	0.000	0.000	0.000	0.000
199	A	290	GLU	-1	-0.873	-0.910	32.146	-7.704	-7.704	0.000	0.000	0.000	0.000
200	A	291	CYS	0	-0.061	-0.004	31.314	0.179	0.179	0.000	0.000	0.000	0.000
201	A	292	LEU	0	0.036	0.001	27.853	0.063	0.063	0.000	0.000	0.000	0.000
202	A	293	ASP	-1	-0.892	-0.952	32.218	-8.093	-8.093	0.000	0.000	0.000	0.000
203	A	294	HIS	1	0.770	0.872	35.394	7.987	7.987	0.000	0.000	0.000	0.000
204	A	295	PHE	0	-0.004	-0.009	34.980	0.216	0.216	0.000	0.000	0.000	0.000
205	A	296	GLY	0	0.102	0.058	32.013	-0.140	-0.140	0.000	0.000	0.000	0.000
206	A	297	PRO	0	-0.015	-0.007	30.992	0.010	0.010	0.000	0.000	0.000	0.000
207	A	298	GLY	0	0.020	0.006	30.719	-0.348	-0.348	0.000	0.000	0.000	0.000
208	A	299	CYS	0	-0.085	-0.020	29.881	-0.283	-0.283	0.000	0.000	0.000	0.000
209	A	300	VAL	0	0.029	0.019	31.628	0.337	0.337	0.000	0.000	0.000	0.000
210	A	301	GLY	0	0.011	-0.003	32.746	-0.240	-0.240	0.000	0.000	0.000	0.000
211	A	302	VAL	0	-0.014	0.001	31.938	-0.225	-0.225	0.000	0.000	0.000	0.000
212	A	303	GLN	0	0.022	0.012	32.504	0.096	0.096	0.000	0.000	0.000	0.000
213	A	304	LYS	1	0.847	0.906	32.250	8.008	8.008	0.000	0.000	0.000	0.000
214	A	305	ILE	0	-0.017	-0.010	30.843	0.289	0.289	0.000	0.000	0.000	0.000
215	A	306	LEU	0	0.026	0.008	30.878	-0.170	-0.170	0.000	0.000	0.000	0.000
216	A	307	ASN	0	0.024	0.006	32.440	-0.033	-0.033	0.000	0.000	0.000	0.000
217	A	308	ALA	0	0.021	0.035	29.648	0.086	0.086	0.000	0.000	0.000	0.000
218	A	309	ARG	1	0.988	0.980	27.446	9.563	9.563	0.000	0.000	0.000	0.000
219	A	310	CYS	0	0.011	0.011	24.056	-0.171	-0.171	0.000	0.000	0.000	0.000
220	A	311	PRO	0	-0.070	-0.020	26.463	0.026	0.026	0.000	0.000	0.000	0.000
221	A	312	LEU	0	0.044	0.020	25.996	-0.329	-0.329	0.000	0.000	0.000	0.000
222	A	313	VAL	0	-0.002	-0.002	27.370	0.488	0.488	0.000	0.000	0.000	0.000
223	A	314	ARG	1	0.859	0.943	27.547	9.799	9.799	0.000	0.000	0.000	0.000
224	A	315	PHE	0	0.022	0.007	25.292	0.394	0.394	0.000	0.000	0.000	0.000
225	A	316	SER	0	-0.001	0.007	28.525	-0.262	-0.262	0.000	0.000	0.000	0.000
226	A	317	HIS	0	0.088	0.039	26.690	0.032	0.032	0.000	0.000	0.000	0.000
227	A	318	GLN	0	0.020	0.001	28.626	-0.068	-0.068	0.000	0.000	0.000	0.000
228	A	319	ALA	0	0.028	0.026	28.546	-0.006	-0.006	0.000	0.000	0.000	0.000
229	A	320	SER	0	0.021	0.025	24.268	-0.291	-0.291	0.000	0.000	0.000	0.000
230	A	321	GLY	0	0.003	0.016	25.751	-0.314	-0.314	0.000	0.000	0.000	0.000
231	A	322	PHE	0	0.002	-0.006	21.164	0.056	0.056	0.000	0.000	0.000	0.000
232	A	323	GLN	0	-0.006	0.018	25.512	0.679	0.679	0.000	0.000	0.000	0.000
233	A	324	CYS	0	-0.035	-0.011	24.075	-0.711	-0.711	0.000	0.000	0.000	0.000
234	A	325	ALA	0	-0.001	-0.016	23.683	0.617	0.617	0.000	0.000	0.000	0.000
235	A	326	LEU	0	0.025	0.029	22.197	-0.520	-0.520	0.000	0.000	0.000	0.000
236	A	327	THR	0	-0.055	-0.040	21.107	0.399	0.399	0.000	0.000	0.000	0.000
237	A	328	THR	0	0.014	-0.013	22.154	-0.006	-0.006	0.000	0.000	0.000	0.000
238	A	329	ASN	0	-0.013	-0.001	21.663	-0.237	-0.237	0.000	0.000	0.000	0.000
239	A	330	ASN	0	-0.005	-0.009	19.422	0.556	0.556	0.000	0.000	0.000	0.000
240	A	331	ARG	1	0.910	0.928	14.579	13.339	13.339	0.000	0.000	0.000	0.000
241	A	332	ILE	0	0.019	0.025	14.290	-0.821	-0.821	0.000	0.000	0.000	0.000
242	A	333	ALA	0	0.002	0.013	15.211	-0.523	-0.523	0.000	0.000	0.000	0.000
243	A	334	LEU	0	0.037	0.033	11.236	-0.607	-0.607	0.000	0.000	0.000	0.000
244	A	335	THR	0	0.025	0.006	10.595	-1.227	-1.227	0.000	0.000	0.000	0.000
245	A	336	SER	0	-0.038	-0.039	11.012	-0.655	-0.655	0.000	0.000	0.000	0.000
246	A	337	SER	0	-0.065	-0.047	11.346	-0.053	-0.053	0.000	0.000	0.000	0.000
247	A	338	GLU	-1	-0.859	-0.930	5.162	-26.834	-26.773	-0.001	-0.003	-0.056	0.000
248	A	339	LEU	0	0.021	0.009	7.769	-1.929	-1.929	0.000	0.000	0.000	0.000
249	A	340	LEU	0	-0.034	-0.023	10.054	-0.660	-0.660	0.000	0.000	0.000	0.000
250	A	341	TYR	0	0.008	0.004	3.295	-4.195	-3.421	0.023	-0.183	-0.615	-0.001
251	A	342	ILE	0	0.008	0.007	5.078	-2.806	-2.806	0.000	0.000	0.000	0.000
252	A	343	TYR	0	-0.047	-0.050	7.210	-0.243	-0.243	0.000	0.000	0.000	0.000
253	A	344	GLY	0	-0.049	-0.026	10.447	0.834	0.834	0.000	0.000	0.000	0.000
254	A	345	ALA	0	-0.036	-0.025	5.202	-0.069	-0.069	0.000	0.000	0.000	0.000
255	A	346	LEU	0	-0.039	0.005	6.714	-2.767	-2.767	0.000	0.000	0.000	0.000
256	A	347	ASP	-1	-0.782	-0.881	8.527	-20.255	-20.255	0.000	0.000	0.000	0.000
257	A	348	SER	0	0.006	0.006	11.051	0.639	0.639	0.000	0.000	0.000	0.000
258	A	349	ARG	1	0.788	0.846	12.091	19.012	19.012	0.000	0.000	0.000	0.000
259	A	350	VAL	0	0.024	0.022	13.363	1.476	1.476	0.000	0.000	0.000	0.000
260	A	351	ARG	1	0.825	0.900	11.187	24.952	24.952	0.000	0.000	0.000	0.000
261	A	352	ALA	0	0.033	0.026	15.324	1.093	1.093	0.000	0.000	0.000	0.000
262	A	353	LEU	0	0.048	0.034	17.860	1.099	1.099	0.000	0.000	0.000	0.000
263	A	354	VAL	0	-0.006	0.004	17.454	0.921	0.921	0.000	0.000	0.000	0.000
264	A	355	PHE	0	-0.059	-0.037	15.931	0.815	0.815	0.000	0.000	0.000	0.000
265	A	356	SER	0	0.040	0.013	20.834	0.845	0.845	0.000	0.000	0.000	0.000
266	A	357	VAL	0	0.016	0.011	23.283	0.689	0.689	0.000	0.000	0.000	0.000
267	A	358	ARG	1	0.817	0.899	18.914	16.096	16.096	0.000	0.000	0.000	0.000
268	A	359	CYS	0	-0.039	-0.009	24.899	0.484	0.484	0.000	0.000	0.000	0.000
269	A	360	TRP	0	-0.022	-0.023	26.892	0.289	0.289	0.000	0.000	0.000	0.000
270	A	361	ALA	0	-0.010	-0.005	27.970	0.421	0.421	0.000	0.000	0.000	0.000
271	A	362	ARG	1	0.926	0.960	28.435	10.914	10.914	0.000	0.000	0.000	0.000
272	A	363	ALA	0	-0.017	0.007	30.660	0.286	0.286	0.000	0.000	0.000	0.000
273	A	364	HIS	1	0.911	0.964	32.927	9.732	9.732	0.000	0.000	0.000	0.000
274	A	365	SER	0	0.018	0.019	34.034	-0.131	-0.131	0.000	0.000	0.000	0.000
275	A	366	LEU	0	-0.031	-0.016	31.767	0.185	0.185	0.000	0.000	0.000	0.000
276	A	367	THR	0	-0.040	-0.016	27.057	0.040	0.040	0.000	0.000	0.000	0.000
277	A	368	SER	0	0.019	-0.003	30.240	0.090	0.090	0.000	0.000	0.000	0.000
278	A	369	SER	0	-0.041	-0.038	29.364	-0.420	-0.420	0.000	0.000	0.000	0.000
279	A	370	ILE	0	0.014	0.004	31.254	0.154	0.154	0.000	0.000	0.000	0.000
280	A	371	PRO	0	-0.026	0.023	32.766	-0.129	-0.129	0.000	0.000	0.000	0.000
281	A	372	GLY	0	0.043	-0.009	33.012	0.280	0.280	0.000	0.000	0.000	0.000
282	A	373	ALA	0	-0.049	-0.014	33.099	-0.226	-0.226	0.000	0.000	0.000	0.000
283	A	374	TRP	0	0.005	0.000	32.558	0.171	0.171	0.000	0.000	0.000	0.000
284	A	375	ILE	0	0.039	0.024	28.196	-0.046	-0.046	0.000	0.000	0.000	0.000
285	A	376	THR	0	0.031	0.016	25.394	-0.143	-0.143	0.000	0.000	0.000	0.000
286	A	377	ASN	0	0.104	0.035	22.737	-0.068	-0.068	0.000	0.000	0.000	0.000
287	A	378	PHE	0	0.015	0.031	17.403	-0.455	-0.455	0.000	0.000	0.000	0.000
288	A	379	SER	0	-0.008	-0.033	21.558	-0.359	-0.359	0.000	0.000	0.000	0.000
289	A	380	LEU	0	0.019	0.009	23.868	-0.085	-0.085	0.000	0.000	0.000	0.000
290	A	381	THR	0	-0.002	-0.017	17.255	-0.304	-0.304	0.000	0.000	0.000	0.000
291	A	382	MET	0	-0.028	-0.010	17.212	-0.444	-0.444	0.000	0.000	0.000	0.000
292	A	383	MET	0	-0.019	-0.005	20.671	0.024	0.024	0.000	0.000	0.000	0.000
293	A	384	VAL	0	0.004	0.008	19.233	0.103	0.103	0.000	0.000	0.000	0.000
294	A	385	ILE	0	0.022	0.008	15.657	-0.133	-0.133	0.000	0.000	0.000	0.000
295	A	386	PHE	0	-0.023	0.002	18.693	0.144	0.144	0.000	0.000	0.000	0.000
296	A	387	PHE	0	-0.016	-0.011	21.647	0.199	0.199	0.000	0.000	0.000	0.000
297	A	388	LEU	0	-0.007	-0.004	17.094	0.152	0.152	0.000	0.000	0.000	0.000
298	A	389	GLN	0	0.024	0.026	16.844	0.781	0.781	0.000	0.000	0.000	0.000
299	A	390	ARG	1	0.819	0.925	20.354	11.653	11.653	0.000	0.000	0.000	0.000
300	A	391	ARG	1	0.789	0.876	21.664	13.042	13.042	0.000	0.000	0.000	0.000
301	A	392	SER	0	0.011	0.020	18.840	-0.159	-0.159	0.000	0.000	0.000	0.000
302	A	400	ASP	-1	-0.796	-0.898	13.618	-20.401	-20.401	0.000	0.000	0.000	0.000
303	A	401	SER	0	-0.030	-0.035	16.463	0.318	0.318	0.000	0.000	0.000	0.000
304	A	402	LEU	0	0.068	0.023	13.225	-0.413	-0.413	0.000	0.000	0.000	0.000
305	A	403	LYS	1	0.980	0.991	13.946	12.262	12.262	0.000	0.000	0.000	0.000
306	A	404	THR	0	-0.045	-0.007	14.502	0.058	0.058	0.000	0.000	0.000	0.000
307	A	405	LEU	0	0.017	0.018	9.424	-0.971	-0.971	0.000	0.000	0.000	0.000
308	A	406	ALA	0	0.008	-0.001	9.698	-1.149	-1.149	0.000	0.000	0.000	0.000
309	A	407	ASP	-1	-0.977	-0.983	10.837	-15.663	-15.663	0.000	0.000	0.000	0.000
310	A	408	ALA	0	-0.081	-0.049	10.921	0.778	0.778	0.000	0.000	0.000	0.000
311	A	409	GLU	-1	-0.997	-0.978	4.751	-37.123	-36.944	-0.001	-0.007	-0.171	0.000
312	A	431	SER	0	0.026	0.015	15.967	0.219	0.219	0.000	0.000	0.000	0.000
313	A	432	GLN	0	-0.033	-0.028	15.330	-0.873	-0.873	0.000	0.000	0.000	0.000
314	A	433	ASN	0	0.008	-0.016	17.757	0.636	0.636	0.000	0.000	0.000	0.000
315	A	434	THR	0	0.006	-0.004	18.054	-0.946	-0.946	0.000	0.000	0.000	0.000
316	A	435	GLU	-1	-0.819	-0.869	20.351	-12.712	-12.712	0.000	0.000	0.000	0.000
317	A	436	THR	0	0.008	-0.003	20.396	-0.670	-0.670	0.000	0.000	0.000	0.000
318	A	437	LEU	0	-0.016	-0.029	18.027	0.109	0.109	0.000	0.000	0.000	0.000
319	A	438	GLU	-1	-0.901	-0.949	21.933	-10.786	-10.786	0.000	0.000	0.000	0.000
320	A	439	LEU	0	0.007	0.013	25.032	0.367	0.367	0.000	0.000	0.000	0.000
321	A	440	LEU	0	-0.019	-0.013	20.507	0.201	0.201	0.000	0.000	0.000	0.000
322	A	441	LEU	0	-0.028	-0.019	24.056	0.138	0.138	0.000	0.000	0.000	0.000
323	A	442	LYS	1	0.876	0.929	25.722	10.023	10.023	0.000	0.000	0.000	0.000
324	A	443	GLU	-1	-0.807	-0.902	27.078	-10.868	-10.868	0.000	0.000	0.000	0.000
325	A	444	PHE	0	-0.050	-0.025	24.414	0.086	0.086	0.000	0.000	0.000	0.000
326	A	445	PHE	0	-0.008	-0.017	27.053	0.178	0.178	0.000	0.000	0.000	0.000
327	A	446	GLU	-1	-0.788	-0.871	30.444	-9.316	-9.316	0.000	0.000	0.000	0.000
328	A	447	TYR	0	-0.025	0.006	27.131	0.312	0.312	0.000	0.000	0.000	0.000
329	A	448	PHE	0	-0.027	-0.020	25.473	0.227	0.227	0.000	0.000	0.000	0.000
330	A	449	GLY	0	0.069	0.048	31.172	0.230	0.230	0.000	0.000	0.000	0.000
331	A	450	ASN	0	-0.071	-0.044	34.360	0.487	0.487	0.000	0.000	0.000	0.000
332	A	451	PHE	0	-0.046	-0.020	29.503	0.031	0.031	0.000	0.000	0.000	0.000
333	A	452	ALA	0	0.012	0.002	30.523	0.103	0.103	0.000	0.000	0.000	0.000
334	A	453	ALA	0	0.004	0.001	28.354	-0.382	-0.382	0.000	0.000	0.000	0.000
335	A	454	ALA	0	0.011	0.018	30.477	0.226	0.226	0.000	0.000	0.000	0.000
336	A	455	ALA	0	0.017	-0.007	32.677	-0.116	-0.116	0.000	0.000	0.000	0.000
337	A	456	ALA	0	-0.043	-0.027	32.007	0.210	0.210	0.000	0.000	0.000	0.000
338	A	457	ALA	0	0.022	0.021	33.006	0.193	0.193	0.000	0.000	0.000	0.000
339	A	464	ALA	0	-0.020	-0.018	31.928	-0.275	-0.275	0.000	0.000	0.000	0.000
340	A	465	ALA	0	-0.021	-0.010	31.059	-0.053	-0.053	0.000	0.000	0.000	0.000
341	A	466	ALA	0	0.029	0.022	26.913	0.019	0.019	0.000	0.000	0.000	0.000
342	A	467	ALA	0	0.002	-0.004	25.163	-0.037	-0.037	0.000	0.000	0.000	0.000
343	A	468	ALA	0	-0.034	-0.029	19.472	-0.322	-0.322	0.000	0.000	0.000	0.000
344	A	474	ALA	0	-0.010	0.009	28.557	0.135	0.135	0.000	0.000	0.000	0.000
345	A	475	ALA	0	0.037	0.016	24.618	-0.137	-0.137	0.000	0.000	0.000	0.000
346	A	476	ALA	0	-0.002	-0.006	21.660	0.225	0.225	0.000	0.000	0.000	0.000
347	A	477	ALA	0	-0.010	-0.004	23.769	0.223	0.223	0.000	0.000	0.000	0.000
348	A	478	ALA	0	0.008	0.016	26.997	-0.202	-0.202	0.000	0.000	0.000	0.000
349	A	479	VAL	0	-0.002	0.001	30.361	0.229	0.229	0.000	0.000	0.000	0.000
350	A	491	SER	0	0.012	0.011	33.790	0.031	0.031	0.000	0.000	0.000	0.000
351	A	492	GLN	0	0.102	0.048	37.036	-0.280	-0.280	0.000	0.000	0.000	0.000
352	A	493	SER	0	0.013	0.013	39.043	-0.037	-0.037	0.000	0.000	0.000	0.000
353	A	494	GLN	0	-0.013	-0.012	35.015	0.227	0.227	0.000	0.000	0.000	0.000
354	A	495	LEU	0	0.005	0.006	33.133	-0.152	-0.152	0.000	0.000	0.000	0.000
355	A	496	GLN	0	-0.032	-0.023	35.615	-0.109	-0.109	0.000	0.000	0.000	0.000
356	A	497	LYS	1	0.922	0.944	38.023	7.869	7.869	0.000	0.000	0.000	0.000
357	A	498	PHE	0	-0.004	0.006	28.722	-0.124	-0.124	0.000	0.000	0.000	0.000
358	A	499	VAL	0	0.021	0.008	34.212	-0.173	-0.173	0.000	0.000	0.000	0.000
359	A	500	ASP	-1	-0.889	-0.927	35.797	-7.814	-7.814	0.000	0.000	0.000	0.000
360	A	501	LEU	0	-0.002	-0.008	34.652	-0.011	-0.011	0.000	0.000	0.000	0.000
361	A	502	ALA	0	-0.028	-0.001	32.535	-0.126	-0.126	0.000	0.000	0.000	0.000
362	A	503	ARG	1	0.875	0.919	33.750	8.129	8.129	0.000	0.000	0.000	0.000
363	A	504	GLU	-1	-0.877	-0.919	36.171	-8.721	-8.721	0.000	0.000	0.000	0.000
364	A	505	SER	0	0.040	-0.011	32.213	-0.071	-0.071	0.000	0.000	0.000	0.000
365	A	506	ALA	0	-0.040	-0.018	33.050	-0.189	-0.189	0.000	0.000	0.000	0.000
366	A	507	TRP	0	-0.001	0.004	34.004	-0.006	-0.006	0.000	0.000	0.000	0.000
367	A	508	ILE	0	-0.035	-0.011	34.829	0.118	0.118	0.000	0.000	0.000	0.000
368	A	509	LEU	0	-0.009	-0.001	29.476	-0.006	-0.006	0.000	0.000	0.000	0.000
369	A	510	GLN	0	-0.102	-0.059	33.526	0.080	0.080	0.000	0.000	0.000	0.000
370	A	511	GLN	0	-0.113	-0.055	36.160	0.412	0.412	0.000	0.000	0.000	0.000
371	A	512	GLU	-1	-0.959	-0.967	36.465	-8.791	-8.791	0.000	0.000	0.000	0.000
372	A	524	PRO	0	-0.029	-0.031	35.264	0.015	0.015	0.000	0.000	0.000	0.000
373	A	525	TRP	0	0.033	0.019	29.235	0.192	0.192	0.000	0.000	0.000	0.000
374	A	526	GLY	0	0.082	0.032	30.866	-0.289	-0.289	0.000	0.000	0.000	0.000
375	A	527	LEU	0	0.018	-0.002	25.507	0.131	0.131	0.000	0.000	0.000	0.000
376	A	528	VAL	0	-0.044	-0.026	29.413	0.105	0.105	0.000	0.000	0.000	0.000
377	A	529	SER	0	-0.020	-0.013	31.978	0.163	0.163	0.000	0.000	0.000	0.000
378	A	530	LEU	0	0.024	0.022	29.577	0.172	0.172	0.000	0.000	0.000	0.000
379	A	531	LEU	0	-0.109	-0.049	28.034	-0.010	-0.010	0.000	0.000	0.000	0.000
380	A	532	LEU	0	0.004	0.006	32.359	0.169	0.169	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:62:ARG)