FMO DATABASE

FMODB ID: RY3N8

Calculation Name: 1V1H-A-Xray540

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1V1H

Chain ID: A

ChEMBL ID:

UniProt ID: P03275

Base Structure: X-ray

Registration Date: 2025-07-11

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

Apendix: None

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	188
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-505112.685463
FMO2-HF: Nuclear repulsion	467657.696797
FMO2-HF: Total energy	-37454.988666
FMO2-MP2: Total energy	-37565.132328

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:319:VAL)

Summations of interaction energy for fragment #1(A:319: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.
-1.087	0.79	0.018	-0.81	-1.085	0.004

Interaction energy analysis for fragmet #1(A:319:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.151 / 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].
4	A	320	SER	0	-0.074	0.058	4.385	0.024	0.222	0.000	-0.101	-0.096	0.000
5	A	321	ILE	0	0.050	-0.114	3.766	-1.257	-0.022	-0.012	-0.608	-0.616	0.003
6	A	321	ILE	0	-0.060	0.135	4.317	0.075	0.144	-0.001	-0.011	-0.057	0.000
7	A	322	LYS	0	0.153	-0.077	6.432	0.533	0.533	0.000	0.000	0.000	0.000
8	A	322	LYS	1	0.784	1.023	10.415	0.504	0.504	0.000	0.000	0.000	0.000
9	A	323	LYS	0	0.119	-0.130	10.122	-0.026	-0.026	0.000	0.000	0.000	0.000
10	A	323	LYS	1	0.912	1.108	8.500	1.085	1.085	0.000	0.000	0.000	0.000
11	A	324	SER	0	0.018	-0.041	11.972	0.050	0.050	0.000	0.000	0.000	0.000
12	A	324	SER	0	-0.050	0.071	15.037	-0.007	-0.007	0.000	0.000	0.000	0.000
13	A	325	SER	0	-0.124	-0.121	13.547	0.112	0.112	0.000	0.000	0.000	0.000
14	A	325	SER	0	-0.035	0.062	13.172	0.034	0.034	0.000	0.000	0.000	0.000
15	A	326	GLY	0	0.115	-0.054	13.759	-0.077	-0.077	0.000	0.000	0.000	0.000
16	A	327	LEU	0	0.095	0.019	10.072	0.135	0.135	0.000	0.000	0.000	0.000
17	A	327	LEU	0	-0.043	0.119	8.520	-0.094	-0.094	0.000	0.000	0.000	0.000
18	A	328	ASN	0	0.072	-0.111	10.376	0.107	0.107	0.000	0.000	0.000	0.000
19	A	328	ASN	0	-0.081	0.088	11.291	-0.051	-0.051	0.000	0.000	0.000	0.000
20	A	329	PHE	0	0.083	-0.083	8.335	-0.331	-0.331	0.000	0.000	0.000	0.000
21	A	329	PHE	0	-0.123	0.068	3.496	0.224	0.486	0.002	-0.079	-0.184	0.000
22	A	330	ASP	0	0.134	-0.103	9.283	0.259	0.259	0.000	0.000	0.000	0.000
23	A	330	ASP	-1	-1.013	-0.837	12.716	-0.847	-0.847	0.000	0.000	0.000	0.000
24	A	331	ASN	0	0.098	-0.044	11.816	-0.073	-0.073	0.000	0.000	0.000	0.000
25	A	331	ASN	0	-0.146	0.016	12.452	0.097	0.097	0.000	0.000	0.000	0.000
26	A	332	THR	0	0.013	-0.029	8.058	-0.026	-0.026	0.000	0.000	0.000	0.000
27	A	332	THR	0	-0.043	0.020	7.703	0.050	0.050	0.000	0.000	0.000	0.000
28	A	333	ALA	0	0.146	-0.112	6.828	-0.888	-0.888	0.000	0.000	0.000	0.000
29	A	333	ALA	0	-0.062	0.132	9.654	0.086	0.086	0.000	0.000	0.000	0.000
30	A	334	ILE	0	0.090	-0.127	6.832	0.303	0.303	0.000	0.000	0.000	0.000
31	A	334	ILE	0	-0.116	0.107	3.549	-0.334	-0.221	0.029	-0.011	-0.132	0.001
32	A	335	ALA	0	0.089	-0.125	7.688	0.160	0.160	0.000	0.000	0.000	0.000
33	A	335	ALA	0	-0.029	0.169	12.098	0.048	0.048	0.000	0.000	0.000	0.000
34	A	336	ILE	0	0.054	-0.106	11.297	-0.158	-0.158	0.000	0.000	0.000	0.000
35	A	336	ILE	0	-0.053	0.110	13.416	0.019	0.019	0.000	0.000	0.000	0.000
36	A	337	ASN	0	0.111	-0.053	13.674	0.051	0.051	0.000	0.000	0.000	0.000
37	A	337	ASN	0	-0.176	0.028	14.356	0.042	0.042	0.000	0.000	0.000	0.000
38	A	338	ALA	0	0.060	-0.133	15.695	0.024	0.024	0.000	0.000	0.000	0.000
39	A	338	ALA	0	-0.022	0.138	19.007	0.005	0.005	0.000	0.000	0.000	0.000
40	A	339	GLY	0	-0.011	-0.088	19.111	0.027	0.027	0.000	0.000	0.000	0.000
41	A	340	LYS	0	0.091	-0.054	22.056	0.002	0.002	0.000	0.000	0.000	0.000
42	A	340	LYS	1	0.879	1.093	26.119	0.264	0.264	0.000	0.000	0.000	0.000
43	A	341	GLY	0	0.001	-0.079	25.272	-0.004	-0.004	0.000	0.000	0.000	0.000
44	A	342	LEU	0	0.036	0.038	22.609	0.026	0.026	0.000	0.000	0.000	0.000
45	A	342	LEU	0	-0.048	0.073	20.769	-0.011	-0.011	0.000	0.000	0.000	0.000
46	A	343	GLU	0	0.025	-0.107	22.705	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	343	GLU	-1	-0.918	-0.839	24.605	-0.319	-0.319	0.000	0.000	0.000	0.000
48	A	344	PHE	0	0.124	-0.081	20.878	-0.009	-0.009	0.000	0.000	0.000	0.000
49	A	344	PHE	0	-0.135	0.073	16.831	-0.016	-0.016	0.000	0.000	0.000	0.000
50	A	345	ASP	0	0.146	-0.131	21.957	0.025	0.025	0.000	0.000	0.000	0.000
51	A	345	ASP	-1	-0.981	-0.830	24.458	-0.331	-0.331	0.000	0.000	0.000	0.000
52	A	346	THR	0	-0.001	-0.061	24.120	-0.023	-0.023	0.000	0.000	0.000	0.000
53	A	346	THR	0	-0.075	0.042	23.622	-0.001	-0.001	0.000	0.000	0.000	0.000
54	A	347	ASN	0	0.068	-0.051	25.552	0.009	0.009	0.000	0.000	0.000	0.000
55	A	347	ASN	0	-0.143	0.039	29.625	0.006	0.006	0.000	0.000	0.000	0.000
56	A	348	THR	0	0.101	-0.057	26.230	0.028	0.028	0.000	0.000	0.000	0.000
57	A	348	THR	0	-0.063	0.027	24.969	-0.007	-0.007	0.000	0.000	0.000	0.000
58	A	349	SER	0	0.044	-0.076	27.490	0.001	0.001	0.000	0.000	0.000	0.000
59	A	349	SER	0	-0.038	0.033	27.518	0.003	0.003	0.000	0.000	0.000	0.000
60	A	350	GLU	0	0.102	-0.027	23.945	0.022	0.022	0.000	0.000	0.000	0.000
61	A	350	GLU	-1	-1.025	-0.866	22.301	-0.373	-0.373	0.000	0.000	0.000	0.000
62	A	351	SER	0	0.000	-0.098	23.228	-0.039	-0.039	0.000	0.000	0.000	0.000
63	A	351	SER	0	-0.016	0.093	23.791	0.009	0.009	0.000	0.000	0.000	0.000
64	A	352	PRO	0	-0.053	-0.127	23.124	0.033	0.033	0.000	0.000	0.000	0.000
65	A	353	ASP	0	0.111	-0.020	20.282	-0.038	-0.038	0.000	0.000	0.000	0.000
66	A	353	ASP	-1	-1.010	-0.853	20.198	-0.430	-0.430	0.000	0.000	0.000	0.000
67	A	354	ILE	0	0.024	-0.113	18.590	-0.087	-0.087	0.000	0.000	0.000	0.000
68	A	354	ILE	0	-0.114	0.088	18.227	-0.009	-0.009	0.000	0.000	0.000	0.000
69	A	355	ASN	0	0.059	-0.110	18.967	0.054	0.054	0.000	0.000	0.000	0.000
70	A	355	ASN	0	-0.073	0.106	19.946	0.037	0.037	0.000	0.000	0.000	0.000
71	A	356	PRO	0	0.011	-0.059	19.060	-0.068	-0.068	0.000	0.000	0.000	0.000
72	A	357	ILE	0	0.119	0.033	19.420	0.021	0.021	0.000	0.000	0.000	0.000
73	A	357	ILE	0	-0.093	0.059	18.004	-0.015	-0.015	0.000	0.000	0.000	0.000
74	A	358	LYS	0	0.012	-0.126	20.529	0.011	0.011	0.000	0.000	0.000	0.000
75	A	358	LYS	1	0.810	1.052	24.583	0.322	0.322	0.000	0.000	0.000	0.000
76	A	359	THR	0	0.052	-0.058	24.006	-0.026	-0.026	0.000	0.000	0.000	0.000
77	A	359	THR	0	0.003	0.045	25.983	0.003	0.003	0.000	0.000	0.000	0.000
78	A	360	LYS	0	0.106	-0.064	26.314	0.004	0.004	0.000	0.000	0.000	0.000
79	A	360	LYS	1	0.835	1.066	26.732	0.304	0.304	0.000	0.000	0.000	0.000
80	A	361	ILE	0	-0.061	-0.149	28.336	0.002	0.002	0.000	0.000	0.000	0.000
81	A	361	ILE	0	-0.025	0.127	30.518	0.001	0.001	0.000	0.000	0.000	0.000
82	A	362	GLY	0	0.038	-0.092	31.981	0.000	0.000	0.000	0.000	0.000	0.000
83	A	363	SER	0	0.054	0.014	35.251	0.001	0.001	0.000	0.000	0.000	0.000
84	A	363	SER	0	-0.072	0.061	39.354	0.000	0.000	0.000	0.000	0.000	0.000
85	A	364	GLY	0	0.029	-0.083	38.381	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	365	ILE	0	0.082	0.014	35.681	0.009	0.009	0.000	0.000	0.000	0.000
87	A	365	ILE	0	-0.082	0.092	33.745	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	366	ASP	0	0.064	-0.104	36.080	-0.004	-0.004	0.000	0.000	0.000	0.000
89	A	366	ASP	-1	-0.994	-0.854	36.969	-0.175	-0.175	0.000	0.000	0.000	0.000
90	A	367	TYR	0	0.087	-0.125	33.586	-0.002	-0.002	0.000	0.000	0.000	0.000
91	A	367	TYR	0	-0.070	0.076	28.818	-0.005	-0.005	0.000	0.000	0.000	0.000
92	A	368	ASN	0	0.060	-0.026	34.654	0.008	0.008	0.000	0.000	0.000	0.000
93	A	368	ASN	0	-0.073	0.050	35.184	-0.009	-0.009	0.000	0.000	0.000	0.000
94	A	369	GLU	0	0.027	-0.145	35.066	-0.014	-0.014	0.000	0.000	0.000	0.000
95	A	369	GLU	-1	-0.871	-0.814	37.325	-0.152	-0.152	0.000	0.000	0.000	0.000
96	A	370	ASN	0	-0.005	-0.112	33.687	-0.004	-0.004	0.000	0.000	0.000	0.000
97	A	370	ASN	0	-0.122	0.081	33.494	0.000	0.000	0.000	0.000	0.000	0.000
98	A	371	GLY	0	0.032	-0.090	30.685	-0.013	-0.013	0.000	0.000	0.000	0.000
99	A	372	ALA	0	0.061	0.017	30.504	-0.021	-0.021	0.000	0.000	0.000	0.000
100	A	372	ALA	0	-0.037	0.077	33.040	0.003	0.003	0.000	0.000	0.000	0.000
101	A	373	MET	0	0.074	-0.100	32.151	0.008	0.008	0.000	0.000	0.000	0.000
102	A	373	MET	0	-0.100	0.129	29.192	-0.006	-0.006	0.000	0.000	0.000	0.000
103	A	374	ILE	0	-0.016	-0.123	33.490	0.001	0.001	0.000	0.000	0.000	0.000
104	A	374	ILE	0	-0.028	0.126	36.652	0.002	0.002	0.000	0.000	0.000	0.000
105	A	375	THR	0	0.123	-0.107	37.159	-0.008	-0.008	0.000	0.000	0.000	0.000
106	A	375	THR	0	-0.024	0.104	38.668	0.002	0.002	0.000	0.000	0.000	0.000
107	A	376	LYS	0	0.068	-0.072	39.606	0.004	0.004	0.000	0.000	0.000	0.000
108	A	376	LYS	1	0.832	1.054	39.701	0.155	0.155	0.000	0.000	0.000	0.000
109	A	377	LEU	0	-0.017	-0.152	41.591	0.000	0.000	0.000	0.000	0.000	0.000
110	A	377	LEU	0	-0.066	0.131	43.933	0.001	0.001	0.000	0.000	0.000	0.000
111	A	378	GLY	0	0.023	-0.083	45.283	0.000	0.000	0.000	0.000	0.000	0.000
112	A	379	ALA	0	0.070	-0.007	48.221	0.001	0.001	0.000	0.000	0.000	0.000
113	A	379	ALA	0	-0.053	0.092	52.707	0.001	0.001	0.000	0.000	0.000	0.000
114	A	380	GLY	0	-0.013	-0.105	51.866	0.000	0.000	0.000	0.000	0.000	0.000
115	A	381	LEU	0	0.102	-0.007	48.616	0.004	0.004	0.000	0.000	0.000	0.000
116	A	381	LEU	0	-0.085	0.111	46.857	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	382	SER	0	-0.050	-0.090	48.515	-0.002	-0.002	0.000	0.000	0.000	0.000
118	A	382	SER	0	-0.001	0.071	50.134	0.002	0.002	0.000	0.000	0.000	0.000
119	A	383	PHE	0	0.114	-0.115	45.972	0.000	0.000	0.000	0.000	0.000	0.000
120	A	383	PHE	0	-0.064	0.105	41.933	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	384	ASP	0	0.076	-0.034	47.080	0.003	0.003	0.000	0.000	0.000	0.000
122	A	384	ASP	-1	-0.881	-0.819	47.455	-0.095	-0.095	0.000	0.000	0.000	0.000
123	A	385	ASN	0	0.065	-0.094	47.340	-0.004	-0.004	0.000	0.000	0.000	0.000
124	A	385	ASN	0	-0.099	0.046	49.234	0.001	0.001	0.000	0.000	0.000	0.000
125	A	386	SER	0	-0.055	-0.117	45.577	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	386	SER	0	-0.061	0.055	45.007	0.000	0.000	0.000	0.000	0.000	0.000
127	A	387	GLY	0	-0.013	-0.092	42.709	-0.005	-0.005	0.000	0.000	0.000	0.000
128	A	388	ALA	0	0.071	-0.027	42.630	-0.008	-0.008	0.000	0.000	0.000	0.000
129	A	388	ALA	0	-0.052	0.136	44.797	0.001	0.001	0.000	0.000	0.000	0.000
130	A	389	ILE	0	0.078	-0.123	44.537	0.003	0.003	0.000	0.000	0.000	0.000
131	A	389	ILE	0	-0.073	0.103	41.845	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	390	THR	0	0.013	-0.044	45.895	0.001	0.001	0.000	0.000	0.000	0.000
133	A	390	THR	0	-0.029	0.058	49.739	0.002	0.002	0.000	0.000	0.000	0.000
134	A	391	ILE	0	0.063	-0.089	49.666	-0.003	-0.003	0.000	0.000	0.000	0.000
135	A	391	ILE	0	-0.082	0.103	50.847	0.000	0.000	0.000	0.000	0.000	0.000
136	A	392	GLY	0	-0.060	-0.109	52.532	0.003	0.003	0.000	0.000	0.000	0.000
137	A	401	GLY	0	0.048	0.005	54.053	0.002	0.002	0.000	0.000	0.000	0.000
138	A	402	SER	0	0.055	-0.001	55.261	0.000	0.000	0.000	0.000	0.000	0.000
139	A	402	SER	0	-0.063	0.082	54.906	0.000	0.000	0.000	0.000	0.000	0.000
140	A	457	GLY	0	-0.029	-0.117	57.059	0.001	0.001	0.000	0.000	0.000	0.000
141	A	458	TYR	0	0.046	0.009	59.288	0.003	0.003	0.000	0.000	0.000	0.000
142	A	458	TYR	0	-0.053	0.090	56.271	0.000	0.000	0.000	0.000	0.000	0.000
143	A	459	ILE	0	0.054	-0.095	60.524	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	459	ILE	0	-0.108	0.089	64.162	0.000	0.000	0.000	0.000	0.000	0.000
145	A	460	PRO	0	0.022	-0.096	60.377	0.000	0.000	0.000	0.000	0.000	0.000
146	A	461	GLU	0	0.152	0.004	61.835	0.001	0.001	0.000	0.000	0.000	0.000
147	A	461	GLU	-1	-1.024	-0.865	62.776	-0.050	-0.050	0.000	0.000	0.000	0.000
148	A	462	ALA	0	-0.013	-0.129	63.934	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	462	ALA	0	-0.018	0.120	68.546	0.000	0.000	0.000	0.000	0.000	0.000
150	A	463	PRO	0	-0.028	-0.120	66.845	0.000	0.000	0.000	0.000	0.000	0.000
151	A	464	ARG	0	0.073	0.033	67.557	0.001	0.001	0.000	0.000	0.000	0.000
152	A	464	ARG	1	0.840	1.045	63.520	0.048	0.048	0.000	0.000	0.000	0.000
153	A	465	ASP	0	0.064	-0.114	68.809	0.000	0.000	0.000	0.000	0.000	0.000
154	A	465	ASP	-1	-0.855	-0.805	71.260	-0.038	-0.038	0.000	0.000	0.000	0.000
155	A	466	GLY	0	-0.021	-0.116	71.851	0.001	0.001	0.000	0.000	0.000	0.000
156	A	467	GLN	0	-0.011	-0.025	74.226	0.001	0.001	0.000	0.000	0.000	0.000
157	A	467	GLN	0	-0.044	0.100	75.282	0.000	0.000	0.000	0.000	0.000	0.000
158	A	468	ALA	0	0.143	-0.066	74.185	-0.001	-0.001	0.000	0.000	0.000	0.000
159	A	468	ALA	0	-0.081	0.100	77.036	0.000	0.000	0.000	0.000	0.000	0.000
160	A	469	TYR	0	0.000	-0.138	72.623	0.001	0.001	0.000	0.000	0.000	0.000
161	A	469	TYR	0	-0.086	0.088	72.026	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	470	VAL	0	0.064	-0.089	74.006	0.000	0.000	0.000	0.000	0.000	0.000
163	A	470	VAL	0	-0.068	0.095	75.593	0.000	0.000	0.000	0.000	0.000	0.000
164	A	471	ARG	0	0.134	-0.099	71.039	0.000	0.000	0.000	0.000	0.000	0.000
165	A	471	ARG	1	0.846	1.087	64.822	0.051	0.051	0.000	0.000	0.000	0.000
166	A	472	LYS	0	0.049	-0.088	71.956	0.000	0.000	0.000	0.000	0.000	0.000
167	A	472	LYS	1	0.848	1.047	74.104	0.040	0.040	0.000	0.000	0.000	0.000
168	A	473	ASP	0	0.064	-0.121	71.274	0.000	0.000	0.000	0.000	0.000	0.000
169	A	473	ASP	-1	-0.987	-0.847	71.277	-0.043	-0.043	0.000	0.000	0.000	0.000
170	A	474	GLY	0	0.011	-0.114	67.178	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	475	GLU	0	0.036	-0.046	66.476	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	475	GLU	-1	-0.977	-0.815	66.801	-0.048	-0.048	0.000	0.000	0.000	0.000
173	A	476	TRP	0	0.052	-0.123	68.565	0.001	0.001	0.000	0.000	0.000	0.000
174	A	476	TRP	0	-0.121	0.100	65.936	0.001	0.001	0.000	0.000	0.000	0.000
175	A	477	VAL	0	0.094	-0.089	70.183	0.000	0.000	0.000	0.000	0.000	0.000
176	A	477	VAL	0	-0.087	0.092	72.988	0.000	0.000	0.000	0.000	0.000	0.000
177	A	478	LEU	0	0.129	-0.086	73.815	0.000	0.000	0.000	0.000	0.000	0.000
178	A	478	LEU	0	-0.073	0.114	75.012	0.000	0.000	0.000	0.000	0.000	0.000
179	A	479	LEU	0	0.145	-0.095	76.285	0.000	0.000	0.000	0.000	0.000	0.000
180	A	479	LEU	0	-0.089	0.110	78.124	0.000	0.000	0.000	0.000	0.000	0.000
181	A	480	SER	0	0.032	-0.078	78.976	0.001	0.001	0.000	0.000	0.000	0.000
182	A	480	SER	0	-0.029	0.056	80.602	0.000	0.000	0.000	0.000	0.000	0.000
183	A	481	THR	0	-0.062	-0.059	80.228	0.001	0.001	0.000	0.000	0.000	0.000
184	A	481	THR	0	-0.014	0.060	79.233	0.000	0.000	0.000	0.000	0.000	0.000
185	A	482	PHE	0	0.056	-0.093	81.633	0.000	0.000	0.000	0.000	0.000	0.000
186	A	482	PHE	0	-0.088	0.076	77.726	0.000	0.000	0.000	0.000	0.000	0.000
187	A	483	LEU	0	-0.064	-0.122	83.160	0.001	0.001	0.000	0.000	0.000	0.000
188	A	483	LEU	0	0.031	0.029	83.061	0.000	0.000	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:319:VAL)