FMO DATABASE

FMODB ID: ZNMRN

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

Total energy (hartree)

FMO2-HF: Electronic energy	-505223.734386
FMO2-HF: Nuclear repulsion	467767.444531
FMO2-HF: Total energy	-37456.289854
FMO2-MP2: Total energy	-37566.395345

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.
0.241	2.97	0.008	-1.41	-1.327	0.007

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 : 0.136 / q_NPA : 0.030

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	-0.055	0.061	4.341	0.108	0.356	0.000	-0.111	-0.137	0.000
5	A	321	ILE	0	0.058	-0.114	3.880	-1.765	0.401	-0.012	-1.243	-0.911	0.006
6	A	321	ILE	0	-0.066	0.132	4.775	0.084	0.140	-0.001	-0.006	-0.049	0.000
7	A	322	LYS	0	0.139	-0.068	6.904	0.230	0.230	0.000	0.000	0.000	0.000
8	A	322	LYS	1	0.788	1.022	11.058	0.689	0.689	0.000	0.000	0.000	0.000
9	A	323	LYS	0	0.104	-0.105	10.494	0.101	0.101	0.000	0.000	0.000	0.000
10	A	323	LYS	1	0.821	1.059	8.993	1.587	1.587	0.000	0.000	0.000	0.000
11	A	324	SER	0	0.029	-0.067	12.057	0.087	0.087	0.000	0.000	0.000	0.000
12	A	324	SER	0	-0.056	0.071	15.069	-0.012	-0.012	0.000	0.000	0.000	0.000
13	A	325	SER	0	-0.059	-0.129	14.031	0.119	0.119	0.000	0.000	0.000	0.000
14	A	325	SER	0	-0.029	0.098	13.766	0.015	0.015	0.000	0.000	0.000	0.000
15	A	326	GLY	0	0.097	-0.058	14.592	-0.012	-0.012	0.000	0.000	0.000	0.000
16	A	327	LEU	0	0.042	0.011	10.512	0.125	0.125	0.000	0.000	0.000	0.000
17	A	327	LEU	0	-0.035	0.111	8.764	-0.077	-0.077	0.000	0.000	0.000	0.000
18	A	328	ASN	0	0.123	-0.079	10.756	0.038	0.038	0.000	0.000	0.000	0.000
19	A	328	ASN	0	-0.078	0.089	12.025	-0.102	-0.102	0.000	0.000	0.000	0.000
20	A	329	PHE	0	0.066	-0.117	8.541	-0.299	-0.299	0.000	0.000	0.000	0.000
21	A	329	PHE	0	-0.096	0.082	4.065	0.177	0.345	-0.001	-0.053	-0.114	0.000
22	A	330	ASP	0	0.134	-0.077	9.523	0.164	0.164	0.000	0.000	0.000	0.000
23	A	330	ASP	-1	-0.923	-0.802	12.571	-0.640	-0.640	0.000	0.000	0.000	0.000
24	A	331	ASN	0	0.070	-0.071	11.264	-0.076	-0.076	0.000	0.000	0.000	0.000
25	A	331	ASN	0	-0.153	0.039	12.745	0.085	0.085	0.000	0.000	0.000	0.000
26	A	332	THR	0	-0.004	-0.104	7.913	-0.036	-0.036	0.000	0.000	0.000	0.000
27	A	332	THR	0	-0.046	0.057	6.897	0.197	0.197	0.000	0.000	0.000	0.000
28	A	333	ALA	0	0.092	-0.110	6.716	-0.371	-0.371	0.000	0.000	0.000	0.000
29	A	333	ALA	0	-0.045	0.134	9.342	0.077	0.077	0.000	0.000	0.000	0.000
30	A	334	ILE	0	0.058	-0.103	6.813	0.116	0.116	0.000	0.000	0.000	0.000
31	A	334	ILE	0	-0.079	0.082	3.601	-0.243	-0.152	0.022	0.003	-0.116	0.001
32	A	335	ALA	0	0.086	-0.107	7.616	0.242	0.242	0.000	0.000	0.000	0.000
33	A	335	ALA	0	-0.034	0.144	11.958	0.037	0.037	0.000	0.000	0.000	0.000
34	A	336	ILE	0	0.056	-0.106	11.338	-0.166	-0.166	0.000	0.000	0.000	0.000
35	A	336	ILE	0	-0.045	0.113	13.404	0.013	0.013	0.000	0.000	0.000	0.000
36	A	337	ASN	0	0.129	-0.049	13.812	0.085	0.085	0.000	0.000	0.000	0.000
37	A	337	ASN	0	-0.166	0.045	14.272	-0.053	-0.053	0.000	0.000	0.000	0.000
38	A	338	ALA	0	0.088	-0.136	15.783	0.029	0.029	0.000	0.000	0.000	0.000
39	A	338	ALA	0	-0.053	0.132	18.910	0.007	0.007	0.000	0.000	0.000	0.000
40	A	339	GLY	0	-0.007	-0.105	19.155	0.002	0.002	0.000	0.000	0.000	0.000
41	A	340	LYS	0	0.038	0.001	22.437	0.011	0.011	0.000	0.000	0.000	0.000
42	A	340	LYS	1	0.891	1.050	26.471	0.279	0.279	0.000	0.000	0.000	0.000
43	A	341	GLY	0	0.048	-0.073	25.791	-0.004	-0.004	0.000	0.000	0.000	0.000
44	A	342	LEU	0	0.050	0.020	22.691	0.023	0.023	0.000	0.000	0.000	0.000
45	A	342	LEU	0	-0.061	0.081	20.523	-0.010	-0.010	0.000	0.000	0.000	0.000
46	A	343	GLU	0	0.048	-0.089	22.985	-0.003	-0.003	0.000	0.000	0.000	0.000
47	A	343	GLU	-1	-0.882	-0.808	24.854	-0.238	-0.238	0.000	0.000	0.000	0.000
48	A	344	PHE	0	0.075	-0.095	21.047	-0.011	-0.011	0.000	0.000	0.000	0.000
49	A	344	PHE	0	-0.096	0.081	16.795	-0.013	-0.013	0.000	0.000	0.000	0.000
50	A	345	ASP	0	0.098	-0.094	22.192	0.012	0.012	0.000	0.000	0.000	0.000
51	A	345	ASP	-1	-0.907	-0.815	24.992	-0.215	-0.215	0.000	0.000	0.000	0.000
52	A	346	THR	0	0.023	-0.092	24.306	-0.008	-0.008	0.000	0.000	0.000	0.000
53	A	346	THR	0	-0.078	0.054	24.194	-0.003	-0.003	0.000	0.000	0.000	0.000
54	A	347	ASN	0	0.095	-0.043	25.675	0.011	0.011	0.000	0.000	0.000	0.000
55	A	347	ASN	0	-0.150	0.023	28.505	0.008	0.008	0.000	0.000	0.000	0.000
56	A	348	THR	0	0.040	-0.068	26.257	0.018	0.018	0.000	0.000	0.000	0.000
57	A	348	THR	0	-0.053	0.031	24.986	-0.001	-0.001	0.000	0.000	0.000	0.000
58	A	349	SER	0	0.061	-0.076	27.537	0.000	0.000	0.000	0.000	0.000	0.000
59	A	349	SER	0	-0.042	0.049	27.799	0.000	0.000	0.000	0.000	0.000	0.000
60	A	350	GLU	0	0.093	-0.037	23.755	0.018	0.018	0.000	0.000	0.000	0.000
61	A	350	GLU	-1	-1.033	-0.879	22.268	-0.157	-0.157	0.000	0.000	0.000	0.000
62	A	351	SER	0	0.002	-0.104	23.171	-0.019	-0.019	0.000	0.000	0.000	0.000
63	A	351	SER	0	-0.046	0.097	24.064	0.004	0.004	0.000	0.000	0.000	0.000
64	A	352	PRO	0	-0.043	-0.114	23.357	0.021	0.021	0.000	0.000	0.000	0.000
65	A	353	ASP	0	0.100	-0.001	20.378	-0.043	-0.043	0.000	0.000	0.000	0.000
66	A	353	ASP	-1	-0.969	-0.842	20.370	-0.180	-0.180	0.000	0.000	0.000	0.000
67	A	354	ILE	0	0.033	-0.110	18.648	-0.051	-0.051	0.000	0.000	0.000	0.000
68	A	354	ILE	0	-0.092	0.086	17.976	-0.004	-0.004	0.000	0.000	0.000	0.000
69	A	355	ASN	0	0.069	-0.080	19.180	0.034	0.034	0.000	0.000	0.000	0.000
70	A	355	ASN	0	-0.120	0.061	20.167	0.028	0.028	0.000	0.000	0.000	0.000
71	A	356	PRO	0	0.021	-0.082	19.326	-0.052	-0.052	0.000	0.000	0.000	0.000
72	A	357	ILE	0	0.122	0.020	19.430	0.024	0.024	0.000	0.000	0.000	0.000
73	A	357	ILE	0	-0.111	0.074	17.912	-0.015	-0.015	0.000	0.000	0.000	0.000
74	A	358	LYS	0	0.029	-0.119	20.550	0.010	0.010	0.000	0.000	0.000	0.000
75	A	358	LYS	1	0.784	1.032	24.426	0.240	0.240	0.000	0.000	0.000	0.000
76	A	359	THR	0	0.049	-0.070	24.006	-0.026	-0.026	0.000	0.000	0.000	0.000
77	A	359	THR	0	-0.001	0.038	26.248	0.004	0.004	0.000	0.000	0.000	0.000
78	A	360	LYS	0	0.103	-0.075	26.401	0.008	0.008	0.000	0.000	0.000	0.000
79	A	360	LYS	1	0.761	1.025	26.764	0.247	0.247	0.000	0.000	0.000	0.000
80	A	361	ILE	0	-0.039	-0.131	28.413	-0.004	-0.004	0.000	0.000	0.000	0.000
81	A	361	ILE	0	-0.045	0.124	30.602	0.001	0.001	0.000	0.000	0.000	0.000
82	A	362	GLY	0	0.041	-0.107	32.173	0.000	0.000	0.000	0.000	0.000	0.000
83	A	363	SER	0	0.035	0.013	35.658	0.002	0.002	0.000	0.000	0.000	0.000
84	A	363	SER	0	-0.054	0.063	39.798	0.000	0.000	0.000	0.000	0.000	0.000
85	A	364	GLY	0	0.050	-0.067	39.056	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	365	ILE	0	0.033	0.011	35.974	0.006	0.006	0.000	0.000	0.000	0.000
87	A	365	ILE	0	-0.069	0.079	34.029	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	366	ASP	0	0.059	-0.085	36.131	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	366	ASP	-1	-0.908	-0.816	36.948	-0.128	-0.128	0.000	0.000	0.000	0.000
90	A	367	TYR	0	0.073	-0.112	33.838	-0.005	-0.005	0.000	0.000	0.000	0.000
91	A	367	TYR	0	-0.078	0.075	29.122	-0.003	-0.003	0.000	0.000	0.000	0.000
92	A	368	ASN	0	0.076	-0.039	34.970	0.007	0.007	0.000	0.000	0.000	0.000
93	A	368	ASN	0	-0.101	0.035	35.148	-0.008	-0.008	0.000	0.000	0.000	0.000
94	A	369	GLU	0	0.085	-0.098	35.313	-0.009	-0.009	0.000	0.000	0.000	0.000
95	A	369	GLU	-1	-0.867	-0.784	38.197	-0.107	-0.107	0.000	0.000	0.000	0.000
96	A	370	ASN	0	0.017	-0.090	33.939	0.001	0.001	0.000	0.000	0.000	0.000
97	A	370	ASN	0	-0.164	0.019	33.751	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	371	GLY	0	0.039	-0.103	30.985	-0.008	-0.008	0.000	0.000	0.000	0.000
99	A	372	ALA	0	0.100	0.005	30.711	-0.018	-0.018	0.000	0.000	0.000	0.000
100	A	372	ALA	0	-0.063	0.111	32.750	0.001	0.001	0.000	0.000	0.000	0.000
101	A	373	MET	0	0.065	-0.093	32.027	0.008	0.008	0.000	0.000	0.000	0.000
102	A	373	MET	0	-0.085	0.111	29.844	-0.007	-0.007	0.000	0.000	0.000	0.000
103	A	374	ILE	0	-0.007	-0.116	33.509	0.000	0.000	0.000	0.000	0.000	0.000
104	A	374	ILE	0	-0.039	0.122	36.858	0.002	0.002	0.000	0.000	0.000	0.000
105	A	375	THR	0	0.071	-0.093	37.280	-0.006	-0.006	0.000	0.000	0.000	0.000
106	A	375	THR	0	-0.016	0.090	39.008	0.000	0.000	0.000	0.000	0.000	0.000
107	A	376	LYS	0	0.113	-0.075	39.719	0.006	0.006	0.000	0.000	0.000	0.000
108	A	376	LYS	1	0.742	1.011	39.917	0.117	0.117	0.000	0.000	0.000	0.000
109	A	377	LEU	0	0.002	-0.132	41.583	0.000	0.000	0.000	0.000	0.000	0.000
110	A	377	LEU	0	-0.096	0.105	43.859	0.001	0.001	0.000	0.000	0.000	0.000
111	A	378	GLY	0	0.030	-0.101	45.170	0.000	0.000	0.000	0.000	0.000	0.000
112	A	379	ALA	0	0.100	0.000	48.357	0.001	0.001	0.000	0.000	0.000	0.000
113	A	379	ALA	0	-0.083	0.103	52.728	0.000	0.000	0.000	0.000	0.000	0.000
114	A	380	GLY	0	-0.026	-0.108	52.153	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	381	LEU	0	0.064	0.002	48.796	0.002	0.002	0.000	0.000	0.000	0.000
116	A	381	LEU	0	-0.084	0.084	46.811	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	382	SER	0	-0.020	-0.074	48.848	0.000	0.000	0.000	0.000	0.000	0.000
118	A	382	SER	0	-0.019	0.067	50.574	0.002	0.002	0.000	0.000	0.000	0.000
119	A	383	PHE	0	0.105	-0.084	46.170	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	383	PHE	0	-0.065	0.087	41.935	0.000	0.000	0.000	0.000	0.000	0.000
121	A	384	ASP	0	0.041	-0.068	47.277	0.004	0.004	0.000	0.000	0.000	0.000
122	A	384	ASP	-1	-0.856	-0.800	48.213	-0.080	-0.080	0.000	0.000	0.000	0.000
123	A	385	ASN	0	0.095	-0.071	47.297	-0.003	-0.003	0.000	0.000	0.000	0.000
124	A	385	ASN	0	-0.112	0.056	49.577	0.001	0.001	0.000	0.000	0.000	0.000
125	A	386	SER	0	-0.015	-0.129	45.846	0.001	0.001	0.000	0.000	0.000	0.000
126	A	386	SER	0	-0.062	0.046	45.378	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	387	GLY	0	-0.035	-0.105	42.860	-0.004	-0.004	0.000	0.000	0.000	0.000
128	A	388	ALA	0	0.071	-0.001	42.906	-0.006	-0.006	0.000	0.000	0.000	0.000
129	A	388	ALA	0	-0.065	0.111	44.769	0.000	0.000	0.000	0.000	0.000	0.000
130	A	389	ILE	0	0.094	-0.115	44.592	0.003	0.003	0.000	0.000	0.000	0.000
131	A	389	ILE	0	-0.088	0.106	41.721	0.000	0.000	0.000	0.000	0.000	0.000
132	A	390	THR	0	0.019	-0.080	46.016	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	390	THR	0	-0.024	0.083	49.656	0.001	0.001	0.000	0.000	0.000	0.000
134	A	391	ILE	0	0.083	-0.088	49.760	-0.001	-0.001	0.000	0.000	0.000	0.000
135	A	391	ILE	0	-0.050	0.121	51.476	0.000	0.000	0.000	0.000	0.000	0.000
136	A	392	GLY	0	-0.013	-0.089	52.540	0.002	0.002	0.000	0.000	0.000	0.000
137	A	401	GLY	0	-0.007	-0.012	54.001	0.001	0.001	0.000	0.000	0.000	0.000
138	A	402	SER	0	0.022	-0.014	55.824	0.001	0.001	0.000	0.000	0.000	0.000
139	A	402	SER	0	-0.016	0.068	54.838	0.000	0.000	0.000	0.000	0.000	0.000
140	A	457	GLY	0	-0.046	-0.110	57.224	0.001	0.001	0.000	0.000	0.000	0.000
141	A	458	TYR	0	0.040	-0.006	59.482	0.002	0.002	0.000	0.000	0.000	0.000
142	A	458	TYR	0	-0.079	0.100	55.878	0.000	0.000	0.000	0.000	0.000	0.000
143	A	459	ILE	0	0.118	-0.085	60.739	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	459	ILE	0	-0.101	0.101	64.835	0.000	0.000	0.000	0.000	0.000	0.000
145	A	460	PRO	0	-0.019	-0.102	60.751	-0.001	-0.001	0.000	0.000	0.000	0.000
146	A	461	GLU	0	0.188	0.028	62.197	0.002	0.002	0.000	0.000	0.000	0.000
147	A	461	GLU	-1	-0.919	-0.787	62.724	-0.048	-0.048	0.000	0.000	0.000	0.000
148	A	462	ALA	0	0.015	-0.126	64.176	0.000	0.000	0.000	0.000	0.000	0.000
149	A	462	ALA	0	-0.035	0.119	68.844	0.000	0.000	0.000	0.000	0.000	0.000
150	A	463	PRO	0	-0.036	-0.122	66.986	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	464	ARG	0	0.077	0.040	67.828	0.001	0.001	0.000	0.000	0.000	0.000
152	A	464	ARG	1	0.738	0.977	65.899	0.047	0.047	0.000	0.000	0.000	0.000
153	A	465	ASP	0	0.050	-0.124	69.052	0.000	0.000	0.000	0.000	0.000	0.000
154	A	465	ASP	-1	-0.839	-0.776	71.725	-0.037	-0.037	0.000	0.000	0.000	0.000
155	A	466	GLY	0	-0.018	-0.114	72.149	0.001	0.001	0.000	0.000	0.000	0.000
156	A	467	GLN	0	0.025	-0.018	74.574	0.001	0.001	0.000	0.000	0.000	0.000
157	A	467	GLN	0	-0.071	0.088	75.380	0.001	0.001	0.000	0.000	0.000	0.000
158	A	468	ALA	0	0.130	-0.064	74.697	-0.001	-0.001	0.000	0.000	0.000	0.000
159	A	468	ALA	0	-0.088	0.092	77.689	0.000	0.000	0.000	0.000	0.000	0.000
160	A	469	TYR	0	-0.008	-0.140	73.014	0.001	0.001	0.000	0.000	0.000	0.000
161	A	469	TYR	0	-0.089	0.061	72.461	0.000	0.000	0.000	0.000	0.000	0.000
162	A	470	VAL	0	0.045	-0.105	74.021	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	470	VAL	0	-0.061	0.105	75.628	0.000	0.000	0.000	0.000	0.000	0.000
164	A	471	ARG	0	0.152	-0.082	70.775	0.000	0.000	0.000	0.000	0.000	0.000
165	A	471	ARG	1	0.710	1.016	65.355	0.044	0.044	0.000	0.000	0.000	0.000
166	A	472	LYS	0	0.061	-0.111	71.812	0.001	0.001	0.000	0.000	0.000	0.000
167	A	472	LYS	1	0.748	0.984	74.065	0.033	0.033	0.000	0.000	0.000	0.000
168	A	473	ASP	0	0.005	-0.109	71.530	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	473	ASP	-1	-0.879	-0.778	72.037	-0.034	-0.034	0.000	0.000	0.000	0.000
170	A	474	GLY	0	0.046	-0.098	67.635	0.000	0.000	0.000	0.000	0.000	0.000
171	A	475	GLU	0	0.026	-0.015	66.598	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	475	GLU	-1	-0.874	-0.786	66.069	-0.044	-0.044	0.000	0.000	0.000	0.000
173	A	476	TRP	0	0.084	-0.133	68.561	0.001	0.001	0.000	0.000	0.000	0.000
174	A	476	TRP	0	-0.104	0.089	66.024	0.001	0.001	0.000	0.000	0.000	0.000
175	A	477	VAL	0	0.067	-0.090	70.365	0.000	0.000	0.000	0.000	0.000	0.000
176	A	477	VAL	0	-0.086	0.096	73.152	0.000	0.000	0.000	0.000	0.000	0.000
177	A	478	LEU	0	0.146	-0.089	74.035	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	478	LEU	0	-0.069	0.130	75.375	0.000	0.000	0.000	0.000	0.000	0.000
179	A	479	LEU	0	0.136	-0.097	76.518	0.001	0.001	0.000	0.000	0.000	0.000
180	A	479	LEU	0	-0.084	0.114	78.103	0.000	0.000	0.000	0.000	0.000	0.000
181	A	480	SER	0	0.045	-0.084	78.989	0.001	0.001	0.000	0.000	0.000	0.000
182	A	480	SER	0	-0.016	0.065	80.770	0.000	0.000	0.000	0.000	0.000	0.000
183	A	481	THR	0	-0.105	-0.094	80.280	0.001	0.001	0.000	0.000	0.000	0.000
184	A	481	THR	0	-0.029	0.054	78.835	0.000	0.000	0.000	0.000	0.000	0.000
185	A	482	PHE	0	0.048	-0.078	81.585	0.001	0.001	0.000	0.000	0.000	0.000
186	A	482	PHE	0	-0.091	0.070	77.699	0.000	0.000	0.000	0.000	0.000	0.000
187	A	483	LEU	0	-0.066	-0.130	83.269	0.001	0.001	0.000	0.000	0.000	0.000
188	A	483	LEU	0	0.040	0.029	83.133	0.000	0.000	0.000	0.000	0.000	0.000

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