FMO DATABASE

FMODB ID: 6N93Z

Calculation Name: 1FON-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1FON

Chain ID: A

ChEMBL ID:

UniProt ID: P05805

Base Structure: X-ray

Registration Date: 2023-09-20

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	OptHSide
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	227
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-2766092.89758
FMO2-HF: Nuclear repulsion	2677030.964885
FMO2-HF: Total energy	-89061.932695
FMO2-MP2: Total energy	-89318.03382

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:9:SER)

Summations of interaction energy for fragment #1(A:9: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.
-35.93	-30.945	7.231	-5.585	-6.629	0.027

Interaction energy analysis for fragmet #1(A:9:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.005 / 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	11	SER	0	-0.056	-0.017	3.803	0.987	2.706	-0.023	-0.802	-0.894	0.004
4	A	12	TRP	0	0.062	0.029	6.107	0.131	0.131	0.000	0.000	0.000	0.000
5	A	13	GLN	0	-0.062	-0.032	7.391	0.424	0.424	0.000	0.000	0.000	0.000
6	A	14	VAL	0	0.015	-0.007	11.485	-0.058	-0.058	0.000	0.000	0.000	0.000
7	A	15	SER	0	-0.015	-0.020	15.117	0.091	0.091	0.000	0.000	0.000	0.000
8	A	16	LEU	0	-0.014	0.003	18.144	-0.038	-0.038	0.000	0.000	0.000	0.000
9	A	17	GLN	0	0.030	-0.012	20.948	0.029	0.029	0.000	0.000	0.000	0.000
10	A	18	TYR	0	-0.011	-0.010	24.391	-0.010	-0.010	0.000	0.000	0.000	0.000
11	A	19	GLU	-1	-0.920	-0.956	28.115	-0.098	-0.098	0.000	0.000	0.000	0.000
12	A	20	LYS	1	0.837	0.907	31.004	0.026	0.026	0.000	0.000	0.000	0.000
13	A	21	ASP	-1	-0.894	-0.954	33.257	-0.032	-0.032	0.000	0.000	0.000	0.000
14	A	22	GLY	0	-0.002	0.014	34.900	-0.001	-0.001	0.000	0.000	0.000	0.000
15	A	23	ALA	0	0.014	0.002	30.275	-0.007	-0.007	0.000	0.000	0.000	0.000
16	A	24	PHE	0	0.026	0.009	26.297	0.008	0.008	0.000	0.000	0.000	0.000
17	A	25	HIS	0	-0.053	-0.017	26.236	0.005	0.005	0.000	0.000	0.000	0.000
18	A	26	HIS	0	-0.038	0.000	18.172	-0.051	-0.051	0.000	0.000	0.000	0.000
19	A	27	THR	0	-0.073	-0.038	22.792	0.030	0.030	0.000	0.000	0.000	0.000
20	A	28	CYS	0	-0.151	-0.056	20.551	0.046	0.046	0.000	0.000	0.000	0.000
21	A	29	GLY	0	0.049	0.045	16.331	-0.035	-0.035	0.000	0.000	0.000	0.000
22	A	30	GLY	0	0.026	0.008	15.335	0.001	0.001	0.000	0.000	0.000	0.000
23	A	31	SER	0	-0.032	-0.013	12.925	-0.025	-0.025	0.000	0.000	0.000	0.000
24	A	32	LEU	0	0.021	0.019	13.024	0.032	0.032	0.000	0.000	0.000	0.000
25	A	33	ILE	0	-0.014	-0.005	13.328	-0.059	-0.059	0.000	0.000	0.000	0.000
26	A	34	ALA	0	0.014	0.006	15.637	-0.027	-0.027	0.000	0.000	0.000	0.000
27	A	35	PRO	0	0.032	0.010	17.211	-0.001	-0.001	0.000	0.000	0.000	0.000
28	A	36	ASP	-1	-0.824	-0.902	18.373	-0.350	-0.350	0.000	0.000	0.000	0.000
29	A	37	TRP	0	0.043	0.046	19.512	0.060	0.060	0.000	0.000	0.000	0.000
30	A	38	VAL	0	0.000	-0.002	17.123	-0.039	-0.039	0.000	0.000	0.000	0.000
31	A	39	VAL	0	0.009	0.015	17.007	0.035	0.035	0.000	0.000	0.000	0.000
32	A	40	THR	0	0.008	-0.034	17.884	0.020	0.020	0.000	0.000	0.000	0.000
33	A	41	ALA	0	0.000	0.003	20.158	0.009	0.009	0.000	0.000	0.000	0.000
34	A	42	GLY	0	0.067	0.032	22.913	-0.018	-0.018	0.000	0.000	0.000	0.000
35	A	43	HIS	1	0.726	0.822	23.522	-0.108	-0.108	0.000	0.000	0.000	0.000
36	A	45	ILE	0	0.018	0.016	24.948	-0.013	-0.013	0.000	0.000	0.000	0.000
37	A	46	SER	0	-0.001	0.024	28.222	0.013	0.013	0.000	0.000	0.000	0.000
38	A	47	THR	0	0.032	-0.007	31.389	-0.004	-0.004	0.000	0.000	0.000	0.000
39	A	48	SER	0	-0.017	-0.007	32.809	-0.004	-0.004	0.000	0.000	0.000	0.000
40	A	49	ARG	1	0.871	0.945	31.078	0.015	0.015	0.000	0.000	0.000	0.000
41	A	50	THR	0	0.068	0.036	30.784	-0.001	-0.001	0.000	0.000	0.000	0.000
42	A	51	TYR	0	-0.017	-0.028	25.485	0.008	0.008	0.000	0.000	0.000	0.000
43	A	52	GLN	0	-0.027	-0.010	23.981	-0.015	-0.015	0.000	0.000	0.000	0.000
44	A	53	VAL	0	-0.012	-0.014	18.997	0.025	0.025	0.000	0.000	0.000	0.000
45	A	54	VAL	0	-0.005	0.005	18.218	-0.027	-0.027	0.000	0.000	0.000	0.000
46	A	55	LEU	0	-0.018	-0.015	15.042	0.028	0.028	0.000	0.000	0.000	0.000
47	A	56	GLY	0	0.078	0.022	13.572	0.042	0.042	0.000	0.000	0.000	0.000
48	A	57	GLU	-1	-0.842	-0.927	8.703	-2.281	-2.281	0.000	0.000	0.000	0.000
49	A	58	TYR	0	-0.021	-0.036	7.279	0.401	0.401	0.000	0.000	0.000	0.000
50	A	59	ASP	-1	-0.793	-0.903	2.877	-16.088	-14.230	0.211	-1.094	-0.974	-0.011
51	A	60	ARG	1	0.887	0.911	1.911	-20.179	-18.964	7.037	-3.630	-4.622	0.034
52	A	61	SER	0	-0.096	-0.047	3.740	0.368	0.561	0.006	-0.059	-0.139	0.000
53	A	62	VAL	0	-0.011	-0.023	6.711	0.276	0.276	0.000	0.000	0.000	0.000
54	A	63	LEU	0	-0.008	0.017	8.123	-0.596	-0.596	0.000	0.000	0.000	0.000
55	A	64	GLU	-1	-0.934	-0.971	8.148	-1.756	-1.756	0.000	0.000	0.000	0.000
56	A	65	GLY	0	-0.031	-0.005	11.082	0.019	0.019	0.000	0.000	0.000	0.000
57	A	66	SER	0	-0.045	-0.033	14.538	0.098	0.098	0.000	0.000	0.000	0.000
58	A	67	GLU	-1	-0.848	-0.917	16.326	-0.431	-0.431	0.000	0.000	0.000	0.000
59	A	68	GLN	0	-0.069	-0.039	16.638	0.093	0.093	0.000	0.000	0.000	0.000
60	A	69	VAL	0	0.043	0.022	19.547	0.016	0.016	0.000	0.000	0.000	0.000
61	A	70	ILE	0	-0.051	-0.027	20.438	0.001	0.001	0.000	0.000	0.000	0.000
62	A	71	PRO	0	0.061	0.039	23.816	0.019	0.019	0.000	0.000	0.000	0.000
63	A	72	ILE	0	0.001	0.018	23.486	-0.017	-0.017	0.000	0.000	0.000	0.000
64	A	73	ASN	0	-0.029	-0.015	27.637	0.016	0.016	0.000	0.000	0.000	0.000
65	A	74	ALA	0	0.050	0.020	30.386	0.002	0.002	0.000	0.000	0.000	0.000
66	A	75	GLY	0	-0.027	-0.026	31.935	-0.001	-0.001	0.000	0.000	0.000	0.000
67	A	76	ASP	-1	-0.795	-0.865	27.644	-0.172	-0.172	0.000	0.000	0.000	0.000
68	A	77	LEU	0	-0.085	-0.039	26.416	-0.006	-0.006	0.000	0.000	0.000	0.000
69	A	78	PHE	0	0.031	0.008	26.875	0.012	0.012	0.000	0.000	0.000	0.000
70	A	79	VAL	0	0.013	-0.005	27.219	0.005	0.005	0.000	0.000	0.000	0.000
71	A	80	HIS	0	0.032	0.034	27.907	0.001	0.001	0.000	0.000	0.000	0.000
72	A	81	PRO	0	0.025	0.000	29.696	0.005	0.005	0.000	0.000	0.000	0.000
73	A	82	LEU	0	-0.024	-0.023	32.482	0.004	0.004	0.000	0.000	0.000	0.000
74	A	83	TRP	0	-0.019	0.022	29.698	0.016	0.016	0.000	0.000	0.000	0.000
75	A	84	ASN	0	0.068	0.021	31.672	-0.008	-0.008	0.000	0.000	0.000	0.000
76	A	85	SER	0	0.025	0.011	32.081	0.006	0.006	0.000	0.000	0.000	0.000
77	A	86	ASN	0	-0.099	-0.048	33.029	0.008	0.008	0.000	0.000	0.000	0.000
78	A	87	CYS	0	-0.060	-0.036	32.117	0.007	0.007	0.000	0.000	0.000	0.000
79	A	88	VAL	0	0.077	0.036	28.539	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	89	ALA	0	0.009	0.011	30.212	0.006	0.006	0.000	0.000	0.000	0.000
81	A	91	GLY	0	0.005	0.008	28.796	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	92	ASN	0	-0.002	-0.013	28.202	-0.005	-0.005	0.000	0.000	0.000	0.000
83	A	93	ASP	-1	-0.726	-0.796	25.718	0.072	0.072	0.000	0.000	0.000	0.000
84	A	94	ILE	0	-0.056	-0.014	21.765	0.015	0.015	0.000	0.000	0.000	0.000
85	A	95	ALA	0	0.017	0.003	23.349	-0.003	-0.003	0.000	0.000	0.000	0.000
86	A	96	LEU	0	0.010	0.026	21.600	-0.003	-0.003	0.000	0.000	0.000	0.000
87	A	97	VAL	0	-0.042	-0.022	22.077	0.015	0.015	0.000	0.000	0.000	0.000
88	A	98	LYS	1	0.918	0.968	22.446	0.165	0.165	0.000	0.000	0.000	0.000
89	A	99	LEU	0	-0.048	-0.044	19.078	0.014	0.014	0.000	0.000	0.000	0.000
90	A	100	SER	0	-0.050	-0.043	23.807	-0.004	-0.004	0.000	0.000	0.000	0.000
91	A	101	ARG	1	0.887	0.933	23.054	0.367	0.367	0.000	0.000	0.000	0.000
92	A	102	SER	0	-0.028	-0.033	21.140	-0.001	-0.001	0.000	0.000	0.000	0.000
93	A	103	ALA	0	-0.020	-0.008	17.398	0.000	0.000	0.000	0.000	0.000	0.000
94	A	104	GLN	0	-0.042	-0.023	17.833	0.045	0.045	0.000	0.000	0.000	0.000
95	A	105	LEU	0	0.014	0.000	13.270	-0.025	-0.025	0.000	0.000	0.000	0.000
96	A	106	GLY	0	-0.019	0.014	12.747	-0.195	-0.195	0.000	0.000	0.000	0.000
97	A	107	ASP	-1	-0.936	-0.981	12.087	-1.290	-1.290	0.000	0.000	0.000	0.000
98	A	108	LYS	1	0.891	0.964	7.376	2.716	2.716	0.000	0.000	0.000	0.000
99	A	109	VAL	0	-0.045	-0.007	6.263	-0.700	-0.700	0.000	0.000	0.000	0.000
100	A	110	GLN	0	-0.026	-0.003	6.977	0.512	0.512	0.000	0.000	0.000	0.000
101	A	111	LEU	0	-0.023	-0.012	8.642	-0.046	-0.046	0.000	0.000	0.000	0.000
102	A	112	ALA	0	-0.008	-0.001	9.979	0.103	0.103	0.000	0.000	0.000	0.000
103	A	113	ASN	0	-0.014	-0.021	11.105	0.018	0.018	0.000	0.000	0.000	0.000
104	A	114	LEU	0	0.057	0.032	14.236	0.074	0.074	0.000	0.000	0.000	0.000
105	A	115	PRO	0	-0.021	0.005	16.769	-0.006	-0.006	0.000	0.000	0.000	0.000
106	A	116	PRO	0	0.010	0.002	18.361	-0.026	-0.026	0.000	0.000	0.000	0.000
107	A	117	ALA	0	0.065	0.019	21.787	0.024	0.024	0.000	0.000	0.000	0.000
108	A	118	GLY	0	-0.062	-0.047	24.683	0.007	0.007	0.000	0.000	0.000	0.000
109	A	119	ASP	-1	-0.863	-0.905	19.793	0.222	0.222	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.060	-0.008	22.475	0.007	0.007	0.000	0.000	0.000	0.000
111	A	121	LEU	0	0.026	0.010	17.078	0.009	0.009	0.000	0.000	0.000	0.000
112	A	122	PRO	0	0.012	0.010	19.674	-0.015	-0.015	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.000	-0.018	21.342	0.025	0.025	0.000	0.000	0.000	0.000
114	A	124	GLU	-1	-0.939	-0.965	20.772	0.425	0.425	0.000	0.000	0.000	0.000
115	A	125	ALA	0	-0.036	0.003	17.294	0.068	0.068	0.000	0.000	0.000	0.000
116	A	126	PRO	0	0.010	0.004	12.898	0.017	0.017	0.000	0.000	0.000	0.000
117	A	127	CYS	0	0.032	0.018	11.095	0.197	0.197	0.000	0.000	0.000	0.000
118	A	128	TYR	0	-0.003	-0.026	8.755	0.239	0.239	0.000	0.000	0.000	0.000
119	A	129	ILE	0	-0.022	0.008	10.757	-0.223	-0.223	0.000	0.000	0.000	0.000
120	A	130	SER	0	0.008	-0.019	8.109	0.364	0.364	0.000	0.000	0.000	0.000
121	A	131	GLY	0	-0.002	0.005	10.230	-0.209	-0.209	0.000	0.000	0.000	0.000
122	A	132	TRP	0	0.041	0.003	12.797	0.162	0.162	0.000	0.000	0.000	0.000
123	A	133	GLY	0	0.001	0.007	15.456	-0.025	-0.025	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.856	0.918	17.488	-0.308	-0.308	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.046	-0.020	19.467	-0.028	-0.028	0.000	0.000	0.000	0.000
126	A	136	TYR	0	-0.033	-0.023	18.574	-0.015	-0.015	0.000	0.000	0.000	0.000
127	A	137	THR	0	0.023	-0.009	20.513	-0.002	-0.002	0.000	0.000	0.000	0.000
128	A	138	GLY	0	0.080	0.051	22.787	-0.004	-0.004	0.000	0.000	0.000	0.000
129	A	139	GLY	0	-0.042	0.001	23.620	0.012	0.012	0.000	0.000	0.000	0.000
130	A	140	PRO	0	0.001	0.009	20.947	-0.009	-0.009	0.000	0.000	0.000	0.000
131	A	141	LEU	0	0.010	0.017	14.774	0.041	0.041	0.000	0.000	0.000	0.000
132	A	142	PRO	0	-0.014	-0.006	15.378	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	143	ASP	-1	-0.861	-0.910	14.081	-0.371	-0.371	0.000	0.000	0.000	0.000
134	A	144	LYS	1	0.872	0.930	11.393	-0.407	-0.407	0.000	0.000	0.000	0.000
135	A	145	LEU	0	-0.064	0.003	7.265	0.038	0.038	0.000	0.000	0.000	0.000
136	A	146	GLN	0	-0.016	-0.014	10.213	0.382	0.382	0.000	0.000	0.000	0.000
137	A	147	GLN	0	0.042	0.017	5.335	1.748	1.748	0.000	0.000	0.000	0.000
138	A	148	ALA	0	-0.027	-0.005	9.656	0.037	0.037	0.000	0.000	0.000	0.000
139	A	149	LEU	0	-0.009	0.009	11.681	-0.033	-0.033	0.000	0.000	0.000	0.000
140	A	150	LEU	0	-0.038	-0.036	12.882	-0.161	-0.161	0.000	0.000	0.000	0.000
141	A	151	PRO	0	-0.002	0.002	15.786	-0.025	-0.025	0.000	0.000	0.000	0.000
142	A	152	THR	0	-0.021	-0.014	17.635	-0.077	-0.077	0.000	0.000	0.000	0.000
143	A	153	VAL	0	-0.006	0.012	19.869	0.000	0.000	0.000	0.000	0.000	0.000
144	A	154	ASP	-1	-0.762	-0.876	23.593	0.254	0.254	0.000	0.000	0.000	0.000
145	A	155	TYR	0	0.019	-0.013	25.386	-0.009	-0.009	0.000	0.000	0.000	0.000
146	A	156	GLU	-1	-0.831	-0.904	28.261	0.181	0.181	0.000	0.000	0.000	0.000
147	A	157	HIS	1	0.863	0.920	27.494	-0.281	-0.281	0.000	0.000	0.000	0.000
148	A	158	CYS	0	-0.067	-0.008	22.182	-0.015	-0.015	0.000	0.000	0.000	0.000
149	A	159	SER	0	-0.009	-0.018	28.450	-0.010	-0.010	0.000	0.000	0.000	0.000
150	A	160	GLN	0	-0.007	0.005	31.630	-0.005	-0.005	0.000	0.000	0.000	0.000
151	A	161	TRP	0	0.012	-0.014	33.601	0.003	0.003	0.000	0.000	0.000	0.000
152	A	162	ASP	-1	-0.824	-0.896	34.130	0.211	0.211	0.000	0.000	0.000	0.000
153	A	163	TRP	0	-0.054	-0.028	25.602	0.019	0.019	0.000	0.000	0.000	0.000
154	A	164	TRP	0	0.016	-0.018	26.333	-0.020	-0.020	0.000	0.000	0.000	0.000
155	A	165	GLY	0	-0.021	0.012	31.241	-0.016	-0.016	0.000	0.000	0.000	0.000
156	A	166	ILE	0	0.002	-0.016	33.523	0.003	0.003	0.000	0.000	0.000	0.000
157	A	167	THR	0	-0.041	-0.016	31.749	-0.011	-0.011	0.000	0.000	0.000	0.000
158	A	168	VAL	0	0.010	0.001	27.868	-0.005	-0.005	0.000	0.000	0.000	0.000
159	A	169	LYS	1	0.909	0.927	29.688	-0.094	-0.094	0.000	0.000	0.000	0.000
160	A	170	LYS	1	0.928	0.941	28.616	-0.142	-0.142	0.000	0.000	0.000	0.000
161	A	171	THR	0	-0.023	0.009	26.957	0.006	0.006	0.000	0.000	0.000	0.000
162	A	172	MET	0	-0.042	0.022	24.559	-0.005	-0.005	0.000	0.000	0.000	0.000
163	A	173	VAL	0	0.042	0.025	19.502	0.002	0.002	0.000	0.000	0.000	0.000
164	A	175	ALA	0	0.067	0.036	17.928	0.019	0.019	0.000	0.000	0.000	0.000
165	A	176	GLY	0	0.015	0.007	20.001	-0.006	-0.006	0.000	0.000	0.000	0.000
166	A	177	GLY	0	0.006	-0.001	20.674	-0.032	-0.032	0.000	0.000	0.000	0.000
167	A	178	ASP	-1	-0.813	-0.888	22.858	0.470	0.470	0.000	0.000	0.000	0.000
168	A	179	THR	0	-0.019	-0.015	22.257	0.022	0.022	0.000	0.000	0.000	0.000
169	A	180	ARG	1	0.851	0.929	16.595	-0.708	-0.708	0.000	0.000	0.000	0.000
170	A	181	SER	0	0.015	0.015	19.072	-0.049	-0.049	0.000	0.000	0.000	0.000
171	A	182	GLY	0	0.050	0.008	17.268	0.081	0.081	0.000	0.000	0.000	0.000
172	A	183	CYS	0	-0.099	-0.080	18.177	-0.040	-0.040	0.000	0.000	0.000	0.000
173	A	184	ASN	0	0.019	0.005	13.650	0.073	0.073	0.000	0.000	0.000	0.000
174	A	185	GLY	0	0.045	0.044	14.427	0.015	0.015	0.000	0.000	0.000	0.000
175	A	186	ASP	-1	-0.772	-0.889	15.416	0.159	0.159	0.000	0.000	0.000	0.000
176	A	187	SER	0	0.034	0.024	17.699	0.021	0.021	0.000	0.000	0.000	0.000
177	A	188	GLY	0	0.068	0.016	19.685	-0.026	-0.026	0.000	0.000	0.000	0.000
178	A	189	GLY	0	-0.017	0.006	15.734	-0.033	-0.033	0.000	0.000	0.000	0.000
179	A	190	PRO	0	0.023	0.021	11.522	0.033	0.033	0.000	0.000	0.000	0.000
180	A	191	LEU	0	-0.062	-0.022	13.051	0.124	0.124	0.000	0.000	0.000	0.000
181	A	192	ASN	0	-0.010	-0.011	9.177	-0.251	-0.251	0.000	0.000	0.000	0.000
182	A	194	PRO	0	0.012	0.021	9.562	-0.117	-0.117	0.000	0.000	0.000	0.000
183	A	195	ALA	0	0.007	0.006	11.219	-0.017	-0.017	0.000	0.000	0.000	0.000
184	A	196	ALA	0	-0.011	-0.016	13.573	0.058	0.058	0.000	0.000	0.000	0.000
185	A	197	ASP	-1	-0.871	-0.917	14.220	0.084	0.084	0.000	0.000	0.000	0.000
186	A	198	GLY	0	0.015	0.007	11.293	-0.031	-0.031	0.000	0.000	0.000	0.000
187	A	199	SER	0	-0.083	-0.049	9.467	0.046	0.046	0.000	0.000	0.000	0.000
188	A	200	TRP	0	0.005	-0.003	6.270	0.324	0.324	0.000	0.000	0.000	0.000
189	A	201	GLN	0	0.047	0.018	10.085	-0.126	-0.126	0.000	0.000	0.000	0.000
190	A	202	VAL	0	0.007	0.002	12.654	0.117	0.117	0.000	0.000	0.000	0.000
191	A	203	HIS	0	0.027	-0.018	14.051	-0.005	-0.005	0.000	0.000	0.000	0.000
192	A	204	GLY	0	-0.036	-0.028	15.980	-0.023	-0.023	0.000	0.000	0.000	0.000
193	A	205	VAL	0	0.015	0.027	16.382	0.007	0.007	0.000	0.000	0.000	0.000
194	A	206	THR	0	-0.086	-0.052	17.318	0.021	0.021	0.000	0.000	0.000	0.000
195	A	207	SER	0	-0.057	-0.053	19.818	-0.035	-0.035	0.000	0.000	0.000	0.000
196	A	208	PHE	0	-0.012	-0.026	23.586	-0.013	-0.013	0.000	0.000	0.000	0.000
197	A	209	VAL	0	0.019	0.004	23.069	0.032	0.032	0.000	0.000	0.000	0.000
198	A	210	SER	0	0.042	0.018	25.840	-0.030	-0.030	0.000	0.000	0.000	0.000
199	A	211	ALA	0	0.022	0.014	28.982	0.001	0.001	0.000	0.000	0.000	0.000
200	A	212	PHE	0	-0.048	-0.031	30.660	-0.006	-0.006	0.000	0.000	0.000	0.000
201	A	213	GLY	0	0.038	0.035	27.190	0.006	0.006	0.000	0.000	0.000	0.000
202	A	215	ASN	0	0.021	-0.009	22.736	0.022	0.022	0.000	0.000	0.000	0.000
203	A	216	THR	0	0.022	0.031	24.008	-0.026	-0.026	0.000	0.000	0.000	0.000
204	A	217	ILE	0	0.009	-0.010	26.208	0.012	0.012	0.000	0.000	0.000	0.000
205	A	218	LYS	1	0.820	0.906	27.471	-0.265	-0.265	0.000	0.000	0.000	0.000
206	A	219	LYS	1	0.822	0.920	27.384	-0.242	-0.242	0.000	0.000	0.000	0.000
207	A	220	PRO	0	-0.021	0.004	23.018	0.010	0.010	0.000	0.000	0.000	0.000
208	A	221	THR	0	0.001	0.011	19.750	-0.033	-0.033	0.000	0.000	0.000	0.000
209	A	222	VAL	0	0.007	0.011	22.060	0.018	0.018	0.000	0.000	0.000	0.000
210	A	223	PHE	0	0.005	-0.011	16.645	-0.005	-0.005	0.000	0.000	0.000	0.000
211	A	224	THR	0	-0.025	-0.028	21.317	0.002	0.002	0.000	0.000	0.000	0.000
212	A	225	ARG	1	0.883	0.926	20.946	-0.133	-0.133	0.000	0.000	0.000	0.000
213	A	226	VAL	0	0.043	0.021	18.072	-0.024	-0.024	0.000	0.000	0.000	0.000
214	A	227	SER	0	0.001	-0.009	21.080	-0.024	-0.024	0.000	0.000	0.000	0.000
215	A	228	ALA	0	-0.090	-0.036	22.451	-0.009	-0.009	0.000	0.000	0.000	0.000
216	A	229	PHE	0	-0.038	-0.038	24.372	-0.004	-0.004	0.000	0.000	0.000	0.000
217	A	230	ILE	0	0.037	0.026	21.227	-0.011	-0.011	0.000	0.000	0.000	0.000
218	A	231	ASP	-1	-0.864	-0.912	24.748	-0.018	-0.018	0.000	0.000	0.000	0.000
219	A	232	TRP	0	0.034	0.014	24.851	-0.008	-0.008	0.000	0.000	0.000	0.000
220	A	233	ILE	0	-0.025	-0.008	21.427	-0.010	-0.010	0.000	0.000	0.000	0.000
221	A	234	ASP	-1	-0.855	-0.933	24.007	-0.121	-0.121	0.000	0.000	0.000	0.000
222	A	235	GLU	-1	-0.917	-0.968	26.238	-0.065	-0.065	0.000	0.000	0.000	0.000
223	A	236	THR	0	-0.074	-0.036	27.019	-0.006	-0.006	0.000	0.000	0.000	0.000
224	A	237	ILE	0	-0.010	-0.009	22.068	-0.010	-0.010	0.000	0.000	0.000	0.000
225	A	238	ALA	0	-0.054	-0.027	26.357	-0.013	-0.013	0.000	0.000	0.000	0.000
226	A	239	SER	0	-0.070	-0.042	29.009	0.001	0.001	0.000	0.000	0.000	0.000
227	A	240	ASN	0	-0.119	-0.054	28.835	-0.007	-0.007	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:9:SER)