FMO DATABASE

FMODB ID: JLLZ9

Calculation Name: 5LKQ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5LKQ

Chain ID: A

ChEMBL ID:

UniProt ID: Q8DRP0

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	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	176
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1792726.807065
FMO2-HF: Nuclear repulsion	1726477.002185
FMO2-HF: Total energy	-66249.804881
FMO2-MP2: Total energy	-66444.989615

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:277:SER)

Summations of interaction energy for fragment #1(A:277:SER)

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.
-24.341	-27.253	34.78	-14.716	-17.151	-0.066

Interaction energy analysis for fragmet #1(A:277:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.035 / q_NPA : -0.012

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	279	VAL	0	0.078	0.033	3.774	-3.246	-0.660	-0.015	-1.217	-1.354	0.003
4	A	280	PHE	0	-0.021	-0.021	2.858	-1.880	-0.914	0.139	-0.333	-0.772	0.001
5	A	281	LEU	0	-0.062	-0.048	2.456	-1.688	-1.226	2.051	-0.779	-1.735	0.010
6	A	282	GLU	-1	-0.967	-0.972	6.058	1.233	1.233	0.000	0.000	0.000	0.000
7	A	283	GLU	-1	-0.949	-0.960	8.258	0.954	0.954	0.000	0.000	0.000	0.000
8	A	284	ARG	1	0.780	0.920	8.325	-1.367	-1.367	0.000	0.000	0.000	0.000
9	A	285	LEU	0	0.030	0.002	10.522	-0.060	-0.060	0.000	0.000	0.000	0.000
10	A	286	ASP	-1	-0.898	-0.958	13.154	0.452	0.452	0.000	0.000	0.000	0.000
11	A	287	GLY	0	-0.003	0.002	13.732	-0.059	-0.059	0.000	0.000	0.000	0.000
12	A	288	ALA	0	-0.021	-0.004	14.002	-0.059	-0.059	0.000	0.000	0.000	0.000
13	A	289	THR	0	-0.091	-0.046	14.333	0.055	0.055	0.000	0.000	0.000	0.000
14	A	290	GLY	0	0.025	0.005	16.604	0.013	0.013	0.000	0.000	0.000	0.000
15	A	291	SER	0	0.004	0.005	11.715	-0.010	-0.010	0.000	0.000	0.000	0.000
16	A	292	SER	0	-0.068	-0.039	10.478	-0.020	-0.020	0.000	0.000	0.000	0.000
17	A	293	ILE	0	0.038	0.046	5.201	-0.010	-0.010	0.000	0.000	0.000	0.000
18	A	294	VAL	0	-0.003	-0.005	8.432	-0.215	-0.215	0.000	0.000	0.000	0.000
19	A	295	VAL	0	0.008	0.015	8.091	0.066	0.066	0.000	0.000	0.000	0.000
20	A	296	THR	0	-0.041	-0.034	10.228	-0.015	-0.015	0.000	0.000	0.000	0.000
21	A	297	MET	0	-0.062	-0.018	12.267	-0.057	-0.057	0.000	0.000	0.000	0.000
22	A	298	GLU	-1	-0.916	-0.931	14.818	0.292	0.292	0.000	0.000	0.000	0.000
23	A	299	GLY	0	0.017	0.001	16.352	-0.017	-0.017	0.000	0.000	0.000	0.000
24	A	300	THR	0	-0.068	-0.052	18.181	-0.017	-0.017	0.000	0.000	0.000	0.000
25	A	301	ARG	1	0.971	0.995	10.042	-0.374	-0.374	0.000	0.000	0.000	0.000
26	A	302	PRO	0	0.030	0.006	10.506	0.057	0.057	0.000	0.000	0.000	0.000
27	A	303	ILE	0	-0.006	-0.020	9.004	-0.002	-0.002	0.000	0.000	0.000	0.000
28	A	304	LEU	0	0.008	0.012	4.279	-0.173	-0.078	-0.001	-0.009	-0.084	0.000
29	A	305	ALA	0	0.025	0.011	7.362	0.257	0.257	0.000	0.000	0.000	0.000
30	A	306	GLU	-1	-0.803	-0.908	8.482	1.160	1.160	0.000	0.000	0.000	0.000
31	A	307	VAL	0	-0.045	-0.023	9.934	-0.081	-0.081	0.000	0.000	0.000	0.000
32	A	308	GLN	0	-0.024	-0.030	12.834	-0.031	-0.031	0.000	0.000	0.000	0.000
33	A	309	ALA	0	-0.037	-0.029	15.536	-0.052	-0.052	0.000	0.000	0.000	0.000
34	A	310	LEU	0	0.022	0.023	18.928	0.020	0.020	0.000	0.000	0.000	0.000
35	A	311	VAL	0	-0.025	-0.021	21.821	-0.020	-0.020	0.000	0.000	0.000	0.000
36	A	312	THR	0	0.017	0.014	24.839	0.007	0.007	0.000	0.000	0.000	0.000
37	A	313	PRO	0	0.040	0.027	28.144	-0.005	-0.005	0.000	0.000	0.000	0.000
38	A	314	THR	0	-0.031	0.007	31.744	0.004	0.004	0.000	0.000	0.000	0.000
39	A	315	MET	0	-0.047	-0.021	33.799	-0.007	-0.007	0.000	0.000	0.000	0.000
40	A	316	PHE	0	0.025	-0.003	36.975	-0.007	-0.007	0.000	0.000	0.000	0.000
41	A	317	GLY	0	-0.022	-0.009	37.532	0.005	0.005	0.000	0.000	0.000	0.000
42	A	318	ASN	0	0.000	-0.005	35.478	-0.004	-0.004	0.000	0.000	0.000	0.000
43	A	319	ALA	0	0.007	0.007	31.981	0.005	0.005	0.000	0.000	0.000	0.000
44	A	320	LYS	1	0.852	0.929	29.976	-0.119	-0.119	0.000	0.000	0.000	0.000
45	A	321	ARG	1	0.877	0.931	27.526	-0.108	-0.108	0.000	0.000	0.000	0.000
46	A	322	THR	0	-0.017	0.000	26.311	-0.010	-0.010	0.000	0.000	0.000	0.000
47	A	323	THR	0	-0.029	-0.017	22.598	0.011	0.011	0.000	0.000	0.000	0.000
48	A	324	THR	0	0.008	-0.001	21.231	0.003	0.003	0.000	0.000	0.000	0.000
49	A	325	GLY	0	0.020	0.012	19.076	0.024	0.024	0.000	0.000	0.000	0.000
50	A	326	LEU	0	0.024	0.014	17.834	-0.002	-0.002	0.000	0.000	0.000	0.000
51	A	327	ASP	-1	-0.850	-0.936	20.890	0.105	0.105	0.000	0.000	0.000	0.000
52	A	328	PHE	0	0.014	0.018	24.195	0.002	0.002	0.000	0.000	0.000	0.000
53	A	329	ASN	0	0.024	-0.003	26.499	-0.004	-0.004	0.000	0.000	0.000	0.000
54	A	330	ARG	1	0.930	0.974	21.305	-0.083	-0.083	0.000	0.000	0.000	0.000
55	A	331	ALA	0	0.046	0.026	23.085	-0.007	-0.007	0.000	0.000	0.000	0.000
56	A	332	SER	0	0.004	0.004	24.256	-0.005	-0.005	0.000	0.000	0.000	0.000
57	A	333	LEU	0	-0.022	-0.015	27.047	-0.008	-0.008	0.000	0.000	0.000	0.000
58	A	334	ILE	0	-0.021	0.004	20.791	-0.009	-0.009	0.000	0.000	0.000	0.000
59	A	335	MET	0	-0.018	-0.011	24.779	-0.003	-0.003	0.000	0.000	0.000	0.000
60	A	336	ALA	0	0.026	0.024	26.401	-0.006	-0.006	0.000	0.000	0.000	0.000
61	A	337	VAL	0	-0.035	-0.016	26.186	-0.009	-0.009	0.000	0.000	0.000	0.000
62	A	338	LEU	0	-0.013	-0.013	22.069	-0.011	-0.011	0.000	0.000	0.000	0.000
63	A	339	GLU	-1	-0.806	-0.887	26.426	0.056	0.056	0.000	0.000	0.000	0.000
64	A	340	LYS	1	0.901	0.947	29.853	-0.022	-0.022	0.000	0.000	0.000	0.000
65	A	341	ARG	1	0.814	0.898	28.354	-0.004	-0.004	0.000	0.000	0.000	0.000
66	A	342	ALA	0	-0.047	-0.032	26.126	-0.011	-0.011	0.000	0.000	0.000	0.000
67	A	343	GLY	0	0.002	0.016	28.074	0.002	0.002	0.000	0.000	0.000	0.000
68	A	344	LEU	0	-0.067	-0.026	23.661	0.004	0.004	0.000	0.000	0.000	0.000
69	A	345	LEU	0	0.008	0.009	28.447	-0.001	-0.001	0.000	0.000	0.000	0.000
70	A	346	LEU	0	0.065	0.012	25.462	0.010	0.010	0.000	0.000	0.000	0.000
71	A	347	GLN	0	-0.060	-0.026	29.566	0.006	0.006	0.000	0.000	0.000	0.000
72	A	348	ASN	0	-0.024	-0.004	32.805	0.003	0.003	0.000	0.000	0.000	0.000
73	A	349	GLN	0	0.025	0.008	28.366	0.009	0.009	0.000	0.000	0.000	0.000
74	A	350	ASP	-1	-0.781	-0.880	29.065	0.124	0.124	0.000	0.000	0.000	0.000
75	A	351	ALA	0	-0.019	-0.022	24.285	0.007	0.007	0.000	0.000	0.000	0.000
76	A	352	TYR	0	-0.016	-0.009	23.223	-0.011	-0.011	0.000	0.000	0.000	0.000
77	A	353	LEU	0	0.012	-0.005	19.172	0.014	0.014	0.000	0.000	0.000	0.000
78	A	354	LYS	1	0.949	0.972	16.409	-0.520	-0.520	0.000	0.000	0.000	0.000
79	A	355	SER	0	-0.013	-0.032	14.548	0.021	0.021	0.000	0.000	0.000	0.000
80	A	356	ALA	0	-0.010	-0.013	11.388	-0.027	-0.027	0.000	0.000	0.000	0.000
81	A	357	GLY	0	0.031	0.002	13.178	0.023	0.023	0.000	0.000	0.000	0.000
82	A	358	GLY	0	-0.035	-0.004	14.646	-0.039	-0.039	0.000	0.000	0.000	0.000
83	A	359	VAL	0	0.016	0.017	12.510	-0.055	-0.055	0.000	0.000	0.000	0.000
84	A	360	LYS	1	0.941	1.000	15.925	-0.231	-0.231	0.000	0.000	0.000	0.000
85	A	361	LEU	0	-0.006	-0.001	13.840	-0.011	-0.011	0.000	0.000	0.000	0.000
86	A	362	ASP	-1	-0.929	-0.976	17.768	0.090	0.090	0.000	0.000	0.000	0.000
87	A	363	GLU	-1	-0.767	-0.883	16.257	-0.053	-0.053	0.000	0.000	0.000	0.000
88	A	364	PRO	0	0.020	-0.009	19.954	0.011	0.011	0.000	0.000	0.000	0.000
89	A	365	ALA	0	0.007	0.004	16.670	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	366	ILE	0	0.047	0.016	15.503	-0.016	-0.016	0.000	0.000	0.000	0.000
91	A	367	ASP	-1	-0.800	-0.890	16.603	0.071	0.071	0.000	0.000	0.000	0.000
92	A	368	LEU	0	-0.035	-0.012	15.858	0.022	0.022	0.000	0.000	0.000	0.000
93	A	369	ALA	0	0.049	0.029	12.700	0.015	0.015	0.000	0.000	0.000	0.000
94	A	370	VAL	0	0.051	0.035	14.480	0.055	0.055	0.000	0.000	0.000	0.000
95	A	371	ALA	0	-0.009	-0.009	17.214	0.012	0.012	0.000	0.000	0.000	0.000
96	A	372	VAL	0	-0.030	-0.017	14.367	0.003	0.003	0.000	0.000	0.000	0.000
97	A	373	ALA	0	0.009	0.017	14.713	0.014	0.014	0.000	0.000	0.000	0.000
98	A	374	ILE	0	0.036	0.004	16.279	0.005	0.005	0.000	0.000	0.000	0.000
99	A	375	ALA	0	-0.023	-0.013	19.726	-0.005	-0.005	0.000	0.000	0.000	0.000
100	A	376	SER	0	-0.038	-0.009	16.495	0.012	0.012	0.000	0.000	0.000	0.000
101	A	377	SER	0	0.070	0.029	18.540	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	378	TYR	0	-0.009	-0.013	20.502	-0.017	-0.017	0.000	0.000	0.000	0.000
103	A	379	LYS	1	0.814	0.903	21.047	-0.094	-0.094	0.000	0.000	0.000	0.000
104	A	380	ASP	-1	-0.856	-0.911	21.310	0.202	0.202	0.000	0.000	0.000	0.000
105	A	381	LYS	1	0.902	0.955	18.698	-0.103	-0.103	0.000	0.000	0.000	0.000
106	A	382	PRO	0	0.042	0.035	13.694	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	383	THR	0	-0.017	-0.028	11.526	-0.015	-0.015	0.000	0.000	0.000	0.000
108	A	384	ASN	0	0.052	0.037	6.791	0.478	0.478	0.000	0.000	0.000	0.000
109	A	385	PRO	0	0.036	0.009	5.742	-0.242	-0.242	0.000	0.000	0.000	0.000
110	A	386	GLN	0	-0.009	0.007	2.187	-0.688	0.905	0.895	-0.946	-1.542	0.008
111	A	387	GLU	-1	-0.882	-0.964	3.971	-2.436	-2.305	0.000	-0.017	-0.114	0.000
112	A	388	CYS	0	-0.036	-0.004	6.817	0.304	0.304	0.000	0.000	0.000	0.000
113	A	389	PHE	0	-0.006	-0.015	8.727	-0.166	-0.166	0.000	0.000	0.000	0.000
114	A	390	VAL	0	0.009	-0.003	12.074	0.041	0.041	0.000	0.000	0.000	0.000
115	A	391	GLY	0	-0.011	-0.026	14.525	-0.031	-0.031	0.000	0.000	0.000	0.000
116	A	392	GLU	-1	-0.902	-0.933	18.257	-0.005	-0.005	0.000	0.000	0.000	0.000
117	A	393	LEU	0	-0.058	-0.027	21.414	-0.017	-0.017	0.000	0.000	0.000	0.000
118	A	394	GLY	0	0.021	0.019	23.363	0.010	0.010	0.000	0.000	0.000	0.000
119	A	395	LEU	0	0.056	0.018	27.130	0.004	0.004	0.000	0.000	0.000	0.000
120	A	396	THR	0	-0.113	-0.092	29.838	0.005	0.005	0.000	0.000	0.000	0.000
121	A	397	GLY	0	0.008	-0.001	26.629	-0.004	-0.004	0.000	0.000	0.000	0.000
122	A	398	GLU	-1	-0.759	-0.834	25.750	-0.044	-0.044	0.000	0.000	0.000	0.000
123	A	399	ILE	0	-0.003	-0.006	19.729	0.011	0.011	0.000	0.000	0.000	0.000
124	A	400	ARG	1	0.864	0.924	23.069	0.033	0.033	0.000	0.000	0.000	0.000
125	A	401	ARG	1	0.933	0.950	21.811	0.125	0.125	0.000	0.000	0.000	0.000
126	A	402	VAL	0	0.048	0.043	17.424	0.021	0.021	0.000	0.000	0.000	0.000
127	A	403	ASN	0	0.031	0.012	20.158	-0.026	-0.026	0.000	0.000	0.000	0.000
128	A	404	ARG	1	0.928	0.938	17.351	0.143	0.143	0.000	0.000	0.000	0.000
129	A	405	ILE	0	0.046	0.024	15.909	-0.025	-0.025	0.000	0.000	0.000	0.000
130	A	406	GLU	-1	-0.822	-0.924	15.167	-0.582	-0.582	0.000	0.000	0.000	0.000
131	A	407	GLN	0	-0.004	-0.001	13.776	-0.052	-0.052	0.000	0.000	0.000	0.000
132	A	408	ARG	1	0.788	0.916	11.284	0.086	0.086	0.000	0.000	0.000	0.000
133	A	409	ILE	0	0.038	0.017	10.071	-0.169	-0.169	0.000	0.000	0.000	0.000
134	A	410	ASN	0	0.001	0.008	9.788	-0.365	-0.365	0.000	0.000	0.000	0.000
135	A	411	GLU	-1	-0.863	-0.944	6.927	-0.960	-0.960	0.000	0.000	0.000	0.000
136	A	412	ALA	0	0.000	-0.009	5.797	-0.566	-0.566	0.000	0.000	0.000	0.000
137	A	413	ALA	0	0.017	0.000	4.870	-1.593	-1.467	-0.001	-0.004	-0.121	0.000
138	A	414	LYS	1	0.882	0.951	6.255	-0.003	-0.003	0.000	0.000	0.000	0.000
139	A	415	LEU	0	-0.094	-0.043	2.471	-0.920	0.346	0.700	-0.877	-1.088	-0.001
140	A	416	GLY	0	0.051	0.029	1.736	-4.161	-18.832	27.319	-7.447	-5.201	-0.058
141	A	417	PHE	0	-0.040	-0.023	2.573	-9.324	-4.853	3.678	-3.137	-5.012	-0.029
142	A	418	THR	0	0.013	0.014	3.562	1.376	1.439	0.015	0.050	-0.128	0.000
143	A	419	LYS	1	0.858	0.941	6.237	0.961	0.961	0.000	0.000	0.000	0.000
144	A	420	ILE	0	0.018	0.008	8.218	0.091	0.091	0.000	0.000	0.000	0.000
145	A	421	TYR	0	-0.047	-0.020	10.372	0.039	0.039	0.000	0.000	0.000	0.000
146	A	422	VAL	0	0.030	0.015	13.840	0.027	0.027	0.000	0.000	0.000	0.000
147	A	423	PRO	0	0.014	0.008	16.104	0.018	0.018	0.000	0.000	0.000	0.000
148	A	424	LYS	1	1.018	1.002	19.894	0.174	0.174	0.000	0.000	0.000	0.000
149	A	425	ASN	0	-0.053	-0.032	21.592	-0.015	-0.015	0.000	0.000	0.000	0.000
150	A	426	SER	0	-0.023	-0.025	19.681	0.022	0.022	0.000	0.000	0.000	0.000
151	A	427	LEU	0	0.012	0.015	17.276	-0.015	-0.015	0.000	0.000	0.000	0.000
152	A	428	THR	0	-0.089	-0.059	20.973	-0.002	-0.002	0.000	0.000	0.000	0.000
153	A	429	GLY	0	0.017	0.032	24.471	0.008	0.008	0.000	0.000	0.000	0.000
154	A	430	ILE	0	-0.014	0.013	18.929	0.002	0.002	0.000	0.000	0.000	0.000
155	A	431	THR	0	0.000	-0.010	19.193	0.015	0.015	0.000	0.000	0.000	0.000
156	A	432	LEU	0	-0.024	-0.009	16.245	-0.030	-0.030	0.000	0.000	0.000	0.000
157	A	433	PRO	0	0.016	0.016	12.391	0.073	0.073	0.000	0.000	0.000	0.000
158	A	434	LYS	1	0.933	0.945	13.855	0.567	0.567	0.000	0.000	0.000	0.000
159	A	435	GLU	-1	-0.895	-0.932	9.456	-1.162	-1.162	0.000	0.000	0.000	0.000
160	A	436	ILE	0	-0.021	-0.004	6.883	-0.253	-0.253	0.000	0.000	0.000	0.000
161	A	437	GLN	0	-0.005	0.000	9.834	0.268	0.268	0.000	0.000	0.000	0.000
162	A	438	VAL	0	0.025	0.002	11.490	-0.020	-0.020	0.000	0.000	0.000	0.000
163	A	439	ILE	0	-0.047	-0.018	13.874	0.089	0.089	0.000	0.000	0.000	0.000
164	A	440	GLY	0	0.002	-0.002	15.969	0.021	0.021	0.000	0.000	0.000	0.000
165	A	441	VAL	0	-0.037	-0.015	17.996	0.025	0.025	0.000	0.000	0.000	0.000
166	A	442	THR	0	-0.034	-0.023	20.560	0.004	0.004	0.000	0.000	0.000	0.000
167	A	443	THR	0	0.022	0.018	23.505	0.018	0.018	0.000	0.000	0.000	0.000
168	A	444	ILE	0	0.079	0.030	20.791	-0.010	-0.010	0.000	0.000	0.000	0.000
169	A	445	GLN	0	0.026	-0.002	22.515	0.001	0.001	0.000	0.000	0.000	0.000
170	A	446	GLU	-1	-0.893	-0.952	21.465	-0.153	-0.153	0.000	0.000	0.000	0.000
171	A	447	VAL	0	0.035	0.011	17.199	-0.012	-0.012	0.000	0.000	0.000	0.000
172	A	448	LEU	0	-0.013	-0.006	18.706	0.008	0.008	0.000	0.000	0.000	0.000
173	A	449	LYS	1	0.919	0.962	20.375	0.053	0.053	0.000	0.000	0.000	0.000
174	A	450	LYS	1	0.873	0.948	17.321	0.173	0.173	0.000	0.000	0.000	0.000
175	A	451	VAL	0	0.006	0.014	14.136	-0.013	-0.013	0.000	0.000	0.000	0.000
176	A	452	PHE	0	-0.048	-0.009	16.301	0.017	0.017	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:277:SER)