FMO DATABASE

FMODB ID: 493RN

Calculation Name: 2EIA-B-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2EIA

Chain ID: B

ChEMBL ID:

UniProt ID: P69732

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:

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	203
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-2124990.012964
FMO2-HF: Nuclear repulsion	2042567.668318
FMO2-HF: Total energy	-82422.344645
FMO2-MP2: Total energy	-82659.837234

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(B:17:PRO)

Summations of interaction energy for fragment #1(B:17:PRO)

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.
-1.26	-2.057	10.158	-5.149	-4.215	0.005

Interaction energy analysis for fragmet #1(B:17:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.036 / 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	B	19	GLY	0	0.051	0.037	3.829	-0.091	1.227	-0.005	-0.719	-0.595	0.004
4	B	20	TYR	0	-0.020	-0.007	1.979	-0.485	-2.863	10.158	-4.378	-3.403	0.001
5	B	21	THR	0	0.059	0.023	3.868	-0.840	-0.577	0.005	-0.052	-0.217	0.000
6	B	22	THR	0	0.009	0.003	5.876	-0.116	-0.116	0.000	0.000	0.000	0.000
7	B	23	TRP	0	-0.015	-0.003	7.081	-0.110	-0.110	0.000	0.000	0.000	0.000
8	B	24	VAL	0	-0.001	0.004	6.998	-0.147	-0.147	0.000	0.000	0.000	0.000
9	B	25	ASN	0	-0.025	-0.027	9.385	-0.107	-0.107	0.000	0.000	0.000	0.000
10	B	26	THR	0	0.029	0.016	11.442	-0.057	-0.057	0.000	0.000	0.000	0.000
11	B	27	ILE	0	-0.065	-0.026	12.021	-0.048	-0.048	0.000	0.000	0.000	0.000
12	B	28	GLN	0	-0.065	-0.033	12.849	-0.031	-0.031	0.000	0.000	0.000	0.000
13	B	29	THR	0	0.000	0.014	15.284	-0.019	-0.019	0.000	0.000	0.000	0.000
14	B	30	ASN	0	-0.056	-0.030	17.172	-0.005	-0.005	0.000	0.000	0.000	0.000
15	B	31	GLY	0	0.025	0.024	17.472	-0.015	-0.015	0.000	0.000	0.000	0.000
16	B	32	LEU	0	0.000	-0.019	14.441	0.021	0.021	0.000	0.000	0.000	0.000
17	B	33	LEU	0	-0.076	-0.022	17.138	-0.019	-0.019	0.000	0.000	0.000	0.000
18	B	34	ASN	0	0.082	0.048	19.256	-0.008	-0.008	0.000	0.000	0.000	0.000
19	B	35	GLU	-1	-0.889	-0.957	19.537	0.139	0.139	0.000	0.000	0.000	0.000
20	B	36	ALA	0	-0.016	-0.003	17.553	0.013	0.013	0.000	0.000	0.000	0.000
21	B	37	SER	0	-0.008	-0.034	15.099	0.038	0.038	0.000	0.000	0.000	0.000
22	B	38	GLN	0	0.023	-0.001	15.322	0.037	0.037	0.000	0.000	0.000	0.000
23	B	39	ASN	0	0.013	0.005	17.127	0.015	0.015	0.000	0.000	0.000	0.000
24	B	40	LEU	0	-0.030	-0.010	10.710	0.025	0.025	0.000	0.000	0.000	0.000
25	B	41	PHE	0	0.040	0.021	12.064	0.057	0.057	0.000	0.000	0.000	0.000
26	B	42	GLY	0	0.019	0.019	13.514	0.021	0.021	0.000	0.000	0.000	0.000
27	B	43	ILE	0	-0.025	-0.021	12.922	-0.013	-0.013	0.000	0.000	0.000	0.000
28	B	44	LEU	0	-0.066	-0.029	8.128	0.011	0.011	0.000	0.000	0.000	0.000
29	B	45	SER	0	0.015	0.004	10.132	0.049	0.049	0.000	0.000	0.000	0.000
30	B	46	VAL	0	-0.039	-0.016	12.150	-0.056	-0.056	0.000	0.000	0.000	0.000
31	B	47	ASP	-1	-0.896	-0.960	13.030	0.153	0.153	0.000	0.000	0.000	0.000
32	B	48	CYS	0	-0.056	-0.003	8.838	0.045	0.045	0.000	0.000	0.000	0.000
33	B	49	THR	0	0.008	-0.009	10.719	-0.051	-0.051	0.000	0.000	0.000	0.000
34	B	50	SER	0	0.011	-0.044	12.267	0.066	0.066	0.000	0.000	0.000	0.000
35	B	51	GLU	-1	-0.886	-0.931	10.290	-0.096	-0.096	0.000	0.000	0.000	0.000
36	B	52	GLU	-1	-0.849	-0.911	7.373	0.245	0.245	0.000	0.000	0.000	0.000
37	B	53	MET	0	-0.048	-0.014	8.904	0.206	0.206	0.000	0.000	0.000	0.000
38	B	54	ASN	0	0.065	0.063	11.220	0.065	0.065	0.000	0.000	0.000	0.000
39	B	55	ALA	0	0.067	0.051	6.926	-0.037	-0.037	0.000	0.000	0.000	0.000
40	B	56	PHE	0	-0.049	-0.019	6.763	0.143	0.143	0.000	0.000	0.000	0.000
41	B	57	LEU	0	0.030	0.006	8.651	-0.093	-0.093	0.000	0.000	0.000	0.000
42	B	58	ASP	-1	-0.900	-0.957	10.405	0.041	0.041	0.000	0.000	0.000	0.000
43	B	59	VAL	0	-0.113	-0.049	5.215	-0.073	-0.073	0.000	0.000	0.000	0.000
44	B	60	VAL	0	0.011	0.023	8.448	-0.006	-0.006	0.000	0.000	0.000	0.000
45	B	61	PRO	0	0.033	0.003	11.319	-0.058	-0.058	0.000	0.000	0.000	0.000
46	B	62	GLY	0	-0.065	-0.045	12.966	-0.024	-0.024	0.000	0.000	0.000	0.000
47	B	63	GLN	0	0.056	0.035	15.751	0.009	0.009	0.000	0.000	0.000	0.000
48	B	64	ALA	0	0.000	-0.012	18.550	-0.004	-0.004	0.000	0.000	0.000	0.000
49	B	65	GLY	0	0.070	0.050	20.385	0.004	0.004	0.000	0.000	0.000	0.000
50	B	66	GLN	0	0.035	0.011	19.170	-0.005	-0.005	0.000	0.000	0.000	0.000
51	B	67	LYS	1	0.895	0.942	13.788	-0.100	-0.100	0.000	0.000	0.000	0.000
52	B	68	GLN	0	-0.006	-0.008	18.552	0.002	0.002	0.000	0.000	0.000	0.000
53	B	69	ILE	0	0.002	0.027	21.846	-0.001	-0.001	0.000	0.000	0.000	0.000
54	B	70	LEU	0	-0.018	-0.013	16.802	0.002	0.002	0.000	0.000	0.000	0.000
55	B	71	LEU	0	0.014	-0.004	17.379	0.005	0.005	0.000	0.000	0.000	0.000
56	B	72	ASP	-1	-0.816	-0.894	20.998	0.053	0.053	0.000	0.000	0.000	0.000
57	B	73	ALA	0	-0.072	-0.030	22.942	-0.004	-0.004	0.000	0.000	0.000	0.000
58	B	74	ILE	0	-0.003	-0.021	18.301	0.000	0.000	0.000	0.000	0.000	0.000
59	B	75	ASP	-1	-0.868	-0.929	22.712	0.053	0.053	0.000	0.000	0.000	0.000
60	B	76	LYS	1	0.929	0.974	25.343	-0.062	-0.062	0.000	0.000	0.000	0.000
61	B	77	ILE	0	-0.047	-0.014	24.684	-0.005	-0.005	0.000	0.000	0.000	0.000
62	B	78	ALA	0	-0.012	-0.022	24.318	-0.004	-0.004	0.000	0.000	0.000	0.000
63	B	79	ASP	-1	-0.870	-0.945	26.312	0.036	0.036	0.000	0.000	0.000	0.000
64	B	80	ASP	-1	-0.944	-0.971	29.701	0.045	0.045	0.000	0.000	0.000	0.000
65	B	81	TRP	0	-0.028	-0.026	28.085	-0.001	-0.001	0.000	0.000	0.000	0.000
66	B	82	ASP	-1	-0.804	-0.927	29.052	0.032	0.032	0.000	0.000	0.000	0.000
67	B	83	ASN	0	-0.110	-0.047	31.215	-0.005	-0.005	0.000	0.000	0.000	0.000
68	B	84	ARG	1	0.895	0.948	33.393	-0.047	-0.047	0.000	0.000	0.000	0.000
69	B	85	HIS	1	0.801	0.912	31.555	-0.041	-0.041	0.000	0.000	0.000	0.000
70	B	86	PRO	0	0.055	0.057	32.688	0.000	0.000	0.000	0.000	0.000	0.000
71	B	87	LEU	0	-0.018	-0.032	30.573	-0.002	-0.002	0.000	0.000	0.000	0.000
72	B	88	PRO	0	-0.013	-0.017	34.182	-0.001	-0.001	0.000	0.000	0.000	0.000
73	B	89	ASN	0	-0.016	0.001	34.419	0.000	0.000	0.000	0.000	0.000	0.000
74	B	90	ALA	0	0.024	0.028	30.172	-0.002	-0.002	0.000	0.000	0.000	0.000
75	B	91	PRO	0	-0.005	-0.001	28.660	-0.001	-0.001	0.000	0.000	0.000	0.000
76	B	92	LEU	0	0.028	0.006	26.672	0.003	0.003	0.000	0.000	0.000	0.000
77	B	93	VAL	0	-0.010	-0.011	23.163	-0.001	-0.001	0.000	0.000	0.000	0.000
78	B	94	ALA	0	-0.004	0.013	22.750	0.003	0.003	0.000	0.000	0.000	0.000
79	B	95	PRO	0	-0.015	-0.011	24.724	-0.006	-0.006	0.000	0.000	0.000	0.000
80	B	96	PRO	0	0.044	0.030	24.466	0.002	0.002	0.000	0.000	0.000	0.000
81	B	97	GLN	0	0.072	0.020	24.936	-0.001	-0.001	0.000	0.000	0.000	0.000
82	B	98	GLY	0	0.018	0.020	26.667	0.001	0.001	0.000	0.000	0.000	0.000
83	B	99	PRO	0	-0.020	-0.013	27.336	0.001	0.001	0.000	0.000	0.000	0.000
84	B	100	ILE	0	0.015	0.026	22.683	-0.002	-0.002	0.000	0.000	0.000	0.000
85	B	101	PRO	0	0.018	0.004	26.693	0.005	0.005	0.000	0.000	0.000	0.000
86	B	102	MET	0	0.013	0.005	24.530	0.000	0.000	0.000	0.000	0.000	0.000
87	B	103	THR	0	0.046	0.028	26.634	0.003	0.003	0.000	0.000	0.000	0.000
88	B	104	ALA	0	0.084	0.043	25.163	0.005	0.005	0.000	0.000	0.000	0.000
89	B	105	ARG	1	0.854	0.926	22.999	0.004	0.004	0.000	0.000	0.000	0.000
90	B	106	PHE	0	-0.010	-0.028	21.662	0.001	0.001	0.000	0.000	0.000	0.000
91	B	107	ILE	0	0.017	0.040	20.886	0.004	0.004	0.000	0.000	0.000	0.000
92	B	108	ARG	1	0.901	0.965	18.708	-0.057	-0.057	0.000	0.000	0.000	0.000
93	B	109	GLY	0	-0.012	-0.029	17.308	0.007	0.007	0.000	0.000	0.000	0.000
94	B	110	LEU	0	0.022	0.011	17.536	-0.016	-0.016	0.000	0.000	0.000	0.000
95	B	111	GLY	0	-0.054	-0.006	18.541	-0.012	-0.012	0.000	0.000	0.000	0.000
96	B	112	VAL	0	-0.068	-0.034	18.747	-0.005	-0.005	0.000	0.000	0.000	0.000
97	B	113	PRO	0	0.047	0.050	17.411	0.002	0.002	0.000	0.000	0.000	0.000
98	B	114	ARG	1	0.971	0.972	9.859	0.291	0.291	0.000	0.000	0.000	0.000
99	B	115	GLU	-1	-0.934	-0.991	14.764	-0.057	-0.057	0.000	0.000	0.000	0.000
100	B	116	ARG	1	0.780	0.878	16.565	0.022	0.022	0.000	0.000	0.000	0.000
101	B	117	GLN	0	-0.069	-0.051	15.050	0.041	0.041	0.000	0.000	0.000	0.000
102	B	118	MET	0	-0.047	-0.030	11.986	0.006	0.006	0.000	0.000	0.000	0.000
103	B	119	GLU	-1	-0.835	-0.882	15.942	-0.016	-0.016	0.000	0.000	0.000	0.000
104	B	120	PRO	0	0.093	0.032	19.617	0.010	0.010	0.000	0.000	0.000	0.000
105	B	121	ALA	0	-0.105	-0.045	21.344	-0.001	-0.001	0.000	0.000	0.000	0.000
106	B	122	PHE	0	0.011	-0.014	17.037	0.001	0.001	0.000	0.000	0.000	0.000
107	B	123	ASP	-1	-0.810	-0.940	19.560	0.067	0.067	0.000	0.000	0.000	0.000
108	B	124	GLN	0	-0.002	-0.015	20.527	0.010	0.010	0.000	0.000	0.000	0.000
109	B	125	PHE	0	-0.018	0.012	20.550	0.004	0.004	0.000	0.000	0.000	0.000
110	B	126	ARG	1	0.899	1.009	15.256	-0.102	-0.102	0.000	0.000	0.000	0.000
111	B	127	GLN	0	-0.031	-0.023	18.047	0.016	0.016	0.000	0.000	0.000	0.000
112	B	128	THR	0	-0.029	-0.024	19.830	0.005	0.005	0.000	0.000	0.000	0.000
113	B	129	TYR	0	-0.056	-0.056	15.558	-0.003	-0.003	0.000	0.000	0.000	0.000
114	B	130	ARG	1	0.892	0.936	15.464	-0.240	-0.240	0.000	0.000	0.000	0.000
115	B	131	GLN	0	-0.026	-0.018	17.718	0.009	0.009	0.000	0.000	0.000	0.000
116	B	132	TRP	0	0.083	0.056	20.944	-0.004	-0.004	0.000	0.000	0.000	0.000
117	B	133	ILE	0	0.031	0.019	15.030	-0.001	-0.001	0.000	0.000	0.000	0.000
118	B	134	ILE	0	-0.069	-0.034	18.011	0.004	0.004	0.000	0.000	0.000	0.000
119	B	135	GLU	-1	-0.917	-0.971	20.003	0.095	0.095	0.000	0.000	0.000	0.000
120	B	136	ALA	0	-0.007	0.004	20.453	-0.009	-0.009	0.000	0.000	0.000	0.000
121	B	137	MET	0	-0.037	-0.025	16.341	0.005	0.005	0.000	0.000	0.000	0.000
122	B	138	SER	0	-0.005	0.021	20.897	-0.012	-0.012	0.000	0.000	0.000	0.000
123	B	139	GLU	-1	-0.901	-0.970	24.117	0.072	0.072	0.000	0.000	0.000	0.000
124	B	140	GLY	0	0.038	0.010	23.315	-0.008	-0.008	0.000	0.000	0.000	0.000
125	B	141	ILE	0	-0.035	-0.031	21.257	-0.007	-0.007	0.000	0.000	0.000	0.000
126	B	142	LYS	1	0.888	0.938	24.905	-0.087	-0.087	0.000	0.000	0.000	0.000
127	B	143	VAL	0	-0.056	-0.007	27.370	-0.008	-0.008	0.000	0.000	0.000	0.000
128	B	144	MET	0	-0.035	-0.029	24.092	-0.008	-0.008	0.000	0.000	0.000	0.000
129	B	145	ILE	0	0.000	0.015	27.563	-0.004	-0.004	0.000	0.000	0.000	0.000
130	B	146	GLY	0	-0.044	-0.019	29.994	-0.004	-0.004	0.000	0.000	0.000	0.000
131	B	147	LYS	1	0.903	0.972	29.820	-0.061	-0.061	0.000	0.000	0.000	0.000
132	B	148	PRO	0	-0.039	-0.024	31.878	0.001	0.001	0.000	0.000	0.000	0.000
133	B	149	LYS	1	0.959	0.974	29.781	-0.058	-0.058	0.000	0.000	0.000	0.000
134	B	150	ALA	0	0.155	0.088	31.415	-0.001	-0.001	0.000	0.000	0.000	0.000
135	B	151	GLN	0	0.012	0.001	33.290	-0.005	-0.005	0.000	0.000	0.000	0.000
136	B	152	ASN	0	-0.088	-0.053	35.111	0.000	0.000	0.000	0.000	0.000	0.000
137	B	153	ILE	0	-0.018	0.025	34.603	-0.002	-0.002	0.000	0.000	0.000	0.000
138	B	154	ARG	1	0.850	0.945	37.514	-0.030	-0.030	0.000	0.000	0.000	0.000
139	B	155	GLN	0	0.044	0.061	41.265	0.000	0.000	0.000	0.000	0.000	0.000
140	B	156	GLY	0	0.015	0.000	43.783	0.000	0.000	0.000	0.000	0.000	0.000
141	B	157	ALA	0	0.017	-0.020	46.340	-0.001	-0.001	0.000	0.000	0.000	0.000
142	B	158	LYS	1	0.935	0.965	49.591	-0.018	-0.018	0.000	0.000	0.000	0.000
143	B	159	GLU	-1	-0.813	-0.853	42.555	0.023	0.023	0.000	0.000	0.000	0.000
144	B	160	PRO	0	0.092	0.052	45.743	0.000	0.000	0.000	0.000	0.000	0.000
145	B	161	TYR	0	0.047	0.006	43.316	0.001	0.001	0.000	0.000	0.000	0.000
146	B	162	PRO	0	0.028	0.000	43.100	0.001	0.001	0.000	0.000	0.000	0.000
147	B	163	GLU	-1	-0.869	-0.935	41.198	0.017	0.017	0.000	0.000	0.000	0.000
148	B	164	PHE	0	-0.094	-0.036	39.905	0.002	0.002	0.000	0.000	0.000	0.000
149	B	165	VAL	0	0.007	-0.006	38.314	0.002	0.002	0.000	0.000	0.000	0.000
150	B	166	ASP	-1	-0.938	-0.949	36.353	0.023	0.023	0.000	0.000	0.000	0.000
151	B	167	ARG	1	0.820	0.866	35.305	-0.026	-0.026	0.000	0.000	0.000	0.000
152	B	168	LEU	0	-0.037	-0.028	34.496	0.004	0.004	0.000	0.000	0.000	0.000
153	B	169	LEU	0	0.005	-0.007	33.409	0.003	0.003	0.000	0.000	0.000	0.000
154	B	170	SER	0	0.004	0.008	31.261	0.004	0.004	0.000	0.000	0.000	0.000
155	B	171	GLN	0	-0.003	-0.006	28.933	0.004	0.004	0.000	0.000	0.000	0.000
156	B	172	ILE	0	0.036	0.056	28.748	0.005	0.005	0.000	0.000	0.000	0.000
157	B	173	LYS	1	0.899	0.964	25.452	-0.030	-0.030	0.000	0.000	0.000	0.000
158	B	174	SER	0	-0.128	-0.095	25.262	0.003	0.003	0.000	0.000	0.000	0.000
159	B	175	GLU	-1	-0.861	-0.939	24.192	0.069	0.069	0.000	0.000	0.000	0.000
160	B	176	GLY	0	-0.045	-0.005	22.021	0.007	0.007	0.000	0.000	0.000	0.000
161	B	177	HIS	0	-0.025	-0.014	21.985	0.009	0.009	0.000	0.000	0.000	0.000
162	B	178	PRO	0	0.003	-0.006	22.513	-0.007	-0.007	0.000	0.000	0.000	0.000
163	B	179	GLN	0	0.032	-0.007	23.955	-0.002	-0.002	0.000	0.000	0.000	0.000
164	B	180	GLU	-1	-0.891	-0.934	26.739	0.031	0.031	0.000	0.000	0.000	0.000
165	B	181	ILE	0	0.011	-0.003	26.230	-0.003	-0.003	0.000	0.000	0.000	0.000
166	B	182	SER	0	-0.032	-0.005	27.273	-0.002	-0.002	0.000	0.000	0.000	0.000
167	B	183	LYS	1	0.973	0.978	29.192	-0.025	-0.025	0.000	0.000	0.000	0.000
168	B	184	PHE	0	0.019	0.020	32.193	-0.001	-0.001	0.000	0.000	0.000	0.000
169	B	185	LEU	0	-0.002	-0.006	29.715	-0.002	-0.002	0.000	0.000	0.000	0.000
170	B	186	THR	0	-0.009	0.003	32.771	-0.002	-0.002	0.000	0.000	0.000	0.000
171	B	187	ASP	-1	-0.855	-0.937	35.191	0.024	0.024	0.000	0.000	0.000	0.000
172	B	188	THR	0	-0.010	-0.012	36.875	-0.002	-0.002	0.000	0.000	0.000	0.000
173	B	189	LEU	0	-0.011	-0.012	34.629	-0.001	-0.001	0.000	0.000	0.000	0.000
174	B	190	THR	0	-0.049	-0.028	38.178	-0.001	-0.001	0.000	0.000	0.000	0.000
175	B	191	ILE	0	0.053	0.016	40.363	-0.001	-0.001	0.000	0.000	0.000	0.000
176	B	192	GLN	0	-0.044	-0.020	40.646	0.001	0.001	0.000	0.000	0.000	0.000
177	B	193	ASN	0	-0.024	-0.041	38.700	0.000	0.000	0.000	0.000	0.000	0.000
178	B	194	ALA	0	0.069	0.047	42.193	0.000	0.000	0.000	0.000	0.000	0.000
179	B	195	ASN	0	-0.046	-0.035	44.884	0.000	0.000	0.000	0.000	0.000	0.000
180	B	196	GLU	-1	-0.858	-0.984	47.952	0.021	0.021	0.000	0.000	0.000	0.000
181	B	197	GLU	-1	-0.927	-0.958	50.906	0.014	0.014	0.000	0.000	0.000	0.000
182	B	198	CYS	0	-0.102	-0.037	47.867	-0.001	-0.001	0.000	0.000	0.000	0.000
183	B	199	ARG	1	0.841	0.959	45.629	-0.023	-0.023	0.000	0.000	0.000	0.000
184	B	200	ASN	0	-0.112	-0.052	48.983	0.000	0.000	0.000	0.000	0.000	0.000
185	B	201	ALA	0	0.040	0.025	51.778	0.000	0.000	0.000	0.000	0.000	0.000
186	B	202	MET	0	0.043	0.026	45.670	0.000	0.000	0.000	0.000	0.000	0.000
187	B	203	ARG	1	0.878	0.963	49.830	-0.018	-0.018	0.000	0.000	0.000	0.000
188	B	204	HIS	0	-0.031	-0.033	51.867	0.000	0.000	0.000	0.000	0.000	0.000
189	B	205	LEU	0	-0.041	0.003	47.163	0.000	0.000	0.000	0.000	0.000	0.000
190	B	206	ARG	1	0.890	0.940	45.320	-0.015	-0.015	0.000	0.000	0.000	0.000
191	B	207	PRO	0	-0.010	-0.010	40.543	0.000	0.000	0.000	0.000	0.000	0.000
192	B	208	GLU	-1	-0.864	-0.940	40.356	0.021	0.021	0.000	0.000	0.000	0.000
193	B	209	ASP	-1	-0.837	-0.898	41.444	0.015	0.015	0.000	0.000	0.000	0.000
194	B	210	THR	0	0.028	0.009	41.790	0.001	0.001	0.000	0.000	0.000	0.000
195	B	211	LEU	0	0.032	0.016	38.125	0.001	0.001	0.000	0.000	0.000	0.000
196	B	212	GLU	-1	-0.876	-0.961	41.821	0.012	0.012	0.000	0.000	0.000	0.000
197	B	213	GLU	-1	-0.926	-0.955	44.749	0.011	0.011	0.000	0.000	0.000	0.000
198	B	214	LYS	1	0.819	0.906	40.811	-0.021	-0.021	0.000	0.000	0.000	0.000
199	B	215	MET	0	-0.046	-0.054	42.995	0.000	0.000	0.000	0.000	0.000	0.000
200	B	216	TYR	0	-0.059	-0.023	46.105	-0.001	-0.001	0.000	0.000	0.000	0.000
201	B	217	ALA	0	0.003	0.004	49.212	-0.001	-0.001	0.000	0.000	0.000	0.000
202	B	219	ARG	1	0.922	0.971	50.195	-0.009	-0.009	0.000	0.000	0.000	0.000
203	B	220	ASP	-1	-0.973	-0.975	51.469	0.011	0.011	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(B:17:PRO)