FMO DATABASE

FMODB ID: MV2YZ

Calculation Name: 5EIQ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5EIQ

Chain ID: A

ChEMBL ID:

UniProt ID: Q8IYS5

Base Structure: X-ray

Registration Date: 2023-06-26

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	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	186
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1794230.77308
FMO2-HF: Nuclear repulsion	1721962.906875
FMO2-HF: Total energy	-72267.866205
FMO2-MP2: Total energy	-72479.639819

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:3:SER)

Summations of interaction energy for fragment #1(A:3: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.
-15.068	-14.412	5.952	-2.832	-3.775	0.028

Interaction energy analysis for fragmet #1(A:3:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.027 / q_NPA : 0.006

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	5	HIS	1	0.857	0.932	1.947	-16.036	-15.516	5.953	-2.828	-3.645	0.028
4	A	6	PRO	0	0.049	0.020	5.731	0.064	0.064	0.000	0.000	0.000	0.000
5	A	7	LYS	1	0.875	0.954	9.132	0.002	0.002	0.000	0.000	0.000	0.000
6	A	8	PRO	0	-0.005	0.005	12.156	-0.011	-0.011	0.000	0.000	0.000	0.000
7	A	9	TRP	0	-0.012	-0.004	14.614	-0.023	-0.023	0.000	0.000	0.000	0.000
8	A	10	LEU	0	-0.004	-0.016	18.236	0.018	0.018	0.000	0.000	0.000	0.000
9	A	11	GLY	0	0.015	0.009	21.052	-0.011	-0.011	0.000	0.000	0.000	0.000
10	A	12	ALA	0	0.025	0.003	24.713	0.005	0.005	0.000	0.000	0.000	0.000
11	A	13	GLN	0	-0.065	-0.014	28.114	-0.006	-0.006	0.000	0.000	0.000	0.000
12	A	14	PRO	0	0.056	0.030	31.218	0.002	0.002	0.000	0.000	0.000	0.000
13	A	15	ALA	0	0.010	0.001	32.621	-0.001	-0.001	0.000	0.000	0.000	0.000
14	A	16	THR	0	-0.008	-0.006	28.832	0.002	0.002	0.000	0.000	0.000	0.000
15	A	17	VAL	0	-0.022	-0.015	31.629	-0.001	-0.001	0.000	0.000	0.000	0.000
16	A	18	VAL	0	-0.016	-0.013	34.939	-0.001	-0.001	0.000	0.000	0.000	0.000
17	A	19	THR	0	0.053	0.035	37.582	0.000	0.000	0.000	0.000	0.000	0.000
18	A	20	PRO	0	-0.031	-0.023	39.237	0.003	0.003	0.000	0.000	0.000	0.000
19	A	21	GLY	0	0.024	0.023	39.993	-0.002	-0.002	0.000	0.000	0.000	0.000
20	A	22	VAL	0	-0.064	-0.021	36.395	0.000	0.000	0.000	0.000	0.000	0.000
21	A	23	ASN	0	0.026	-0.001	35.769	0.001	0.001	0.000	0.000	0.000	0.000
22	A	24	VAL	0	-0.028	-0.005	30.419	0.000	0.000	0.000	0.000	0.000	0.000
23	A	25	THR	0	-0.027	-0.014	27.939	0.003	0.003	0.000	0.000	0.000	0.000
24	A	26	LEU	0	0.007	0.009	24.997	0.000	0.000	0.000	0.000	0.000	0.000
25	A	27	ARG	1	0.825	0.890	23.636	-0.093	-0.093	0.000	0.000	0.000	0.000
26	A	28	CYS	0	-0.019	0.003	17.821	0.013	0.013	0.000	0.000	0.000	0.000
27	A	29	ARG	1	0.852	0.921	17.073	-0.161	-0.161	0.000	0.000	0.000	0.000
28	A	30	ALA	0	0.029	0.019	12.321	-0.010	-0.010	0.000	0.000	0.000	0.000
29	A	31	PRO	0	-0.048	-0.024	10.528	-0.024	-0.024	0.000	0.000	0.000	0.000
30	A	32	GLN	0	0.025	0.005	6.662	0.255	0.255	0.000	0.000	0.000	0.000
31	A	33	PRO	0	0.010	0.012	12.008	0.033	0.033	0.000	0.000	0.000	0.000
32	A	34	ALA	0	-0.022	-0.011	11.526	0.154	0.154	0.000	0.000	0.000	0.000
33	A	35	TRP	0	0.007	-0.001	12.580	-0.061	-0.061	0.000	0.000	0.000	0.000
34	A	36	ARG	1	0.873	0.902	13.822	-0.294	-0.294	0.000	0.000	0.000	0.000
35	A	37	PHE	0	0.010	-0.013	14.157	0.082	0.082	0.000	0.000	0.000	0.000
36	A	38	GLY	0	0.025	0.002	16.544	-0.028	-0.028	0.000	0.000	0.000	0.000
37	A	39	LEU	0	-0.040	-0.015	18.080	0.014	0.014	0.000	0.000	0.000	0.000
38	A	40	PHE	0	-0.002	-0.005	15.985	-0.001	-0.001	0.000	0.000	0.000	0.000
39	A	41	LYS	1	0.844	0.911	21.163	-0.085	-0.085	0.000	0.000	0.000	0.000
40	A	42	PRO	0	-0.023	-0.033	22.792	0.004	0.004	0.000	0.000	0.000	0.000
41	A	43	GLY	0	-0.005	0.004	22.751	-0.004	-0.004	0.000	0.000	0.000	0.000
42	A	44	GLU	-1	-0.825	-0.900	22.448	0.095	0.095	0.000	0.000	0.000	0.000
43	A	45	ILE	0	-0.010	-0.017	17.968	0.012	0.012	0.000	0.000	0.000	0.000
44	A	46	ALA	0	-0.025	-0.018	18.193	0.014	0.014	0.000	0.000	0.000	0.000
45	A	47	PRO	0	-0.070	-0.016	18.182	-0.006	-0.006	0.000	0.000	0.000	0.000
46	A	48	LEU	0	0.039	0.027	20.751	-0.004	-0.004	0.000	0.000	0.000	0.000
47	A	49	LEU	0	0.004	0.003	22.946	-0.006	-0.006	0.000	0.000	0.000	0.000
48	A	50	PHE	0	-0.024	-0.026	19.101	0.019	0.019	0.000	0.000	0.000	0.000
49	A	51	ARG	1	0.907	0.948	19.667	-0.155	-0.155	0.000	0.000	0.000	0.000
50	A	52	ASP	-1	-0.767	-0.836	18.573	0.247	0.247	0.000	0.000	0.000	0.000
51	A	53	VAL	0	-0.044	-0.037	18.022	-0.024	-0.024	0.000	0.000	0.000	0.000
52	A	54	SER	0	-0.038	-0.012	16.596	-0.005	-0.005	0.000	0.000	0.000	0.000
53	A	55	SER	0	0.044	0.035	16.857	-0.025	-0.025	0.000	0.000	0.000	0.000
54	A	56	GLU	-1	-0.803	-0.895	15.087	0.270	0.270	0.000	0.000	0.000	0.000
55	A	57	LEU	0	-0.063	-0.027	16.454	0.002	0.002	0.000	0.000	0.000	0.000
56	A	58	ALA	0	0.014	0.016	19.262	0.001	0.001	0.000	0.000	0.000	0.000
57	A	59	GLU	-1	-0.825	-0.902	20.937	0.099	0.099	0.000	0.000	0.000	0.000
58	A	60	PHE	0	-0.004	-0.008	20.312	0.004	0.004	0.000	0.000	0.000	0.000
59	A	61	PHE	0	0.013	0.009	26.011	-0.003	-0.003	0.000	0.000	0.000	0.000
60	A	62	LEU	0	-0.039	-0.019	28.377	0.001	0.001	0.000	0.000	0.000	0.000
61	A	63	GLU	-1	-0.873	-0.938	31.711	0.056	0.056	0.000	0.000	0.000	0.000
62	A	64	GLU	-1	-0.949	-0.973	35.362	0.042	0.042	0.000	0.000	0.000	0.000
63	A	65	VAL	0	-0.065	-0.004	33.764	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	66	THR	0	0.061	0.006	36.172	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	67	PRO	0	0.033	-0.008	35.736	0.003	0.003	0.000	0.000	0.000	0.000
66	A	68	ALA	0	-0.021	0.006	34.411	0.002	0.002	0.000	0.000	0.000	0.000
67	A	69	GLN	0	0.052	0.044	31.524	0.001	0.001	0.000	0.000	0.000	0.000
68	A	70	GLY	0	0.056	0.045	31.002	0.005	0.005	0.000	0.000	0.000	0.000
69	A	71	GLY	0	0.015	0.017	30.582	0.003	0.003	0.000	0.000	0.000	0.000
70	A	72	SER	0	-0.082	-0.082	25.556	0.004	0.004	0.000	0.000	0.000	0.000
71	A	73	TYR	0	-0.043	-0.027	23.476	0.003	0.003	0.000	0.000	0.000	0.000
72	A	74	ARG	1	0.878	0.937	18.322	-0.119	-0.119	0.000	0.000	0.000	0.000
73	A	76	CYS	0	-0.011	0.007	12.885	-0.006	-0.006	0.000	0.000	0.000	0.000
74	A	77	TYR	0	0.021	-0.019	8.704	0.030	0.030	0.000	0.000	0.000	0.000
75	A	78	ARG	1	0.821	0.887	9.448	-0.375	-0.375	0.000	0.000	0.000	0.000
76	A	79	ARG	1	0.897	0.960	7.656	-1.216	-1.216	0.000	0.000	0.000	0.000
77	A	80	PRO	0	0.050	0.021	9.690	0.047	0.047	0.000	0.000	0.000	0.000
78	A	81	ASP	-1	-0.859	-0.937	6.980	1.465	1.465	0.000	0.000	0.000	0.000
79	A	82	TRP	0	-0.069	-0.023	5.280	0.260	0.396	-0.001	-0.004	-0.130	0.000
80	A	83	GLY	0	0.086	0.039	6.424	-0.224	-0.224	0.000	0.000	0.000	0.000
81	A	84	PRO	0	0.039	0.009	8.490	0.179	0.179	0.000	0.000	0.000	0.000
82	A	85	GLY	0	0.039	0.022	11.723	0.054	0.054	0.000	0.000	0.000	0.000
83	A	86	VAL	0	-0.082	-0.027	5.419	0.015	0.015	0.000	0.000	0.000	0.000
84	A	87	TRP	0	0.040	0.013	8.914	0.155	0.155	0.000	0.000	0.000	0.000
85	A	88	SER	0	-0.019	-0.013	7.609	0.243	0.243	0.000	0.000	0.000	0.000
86	A	89	GLN	0	-0.025	-0.003	8.604	-0.139	-0.139	0.000	0.000	0.000	0.000
87	A	90	PRO	0	0.069	0.027	10.858	0.039	0.039	0.000	0.000	0.000	0.000
88	A	91	SER	0	0.000	0.000	14.582	-0.016	-0.016	0.000	0.000	0.000	0.000
89	A	92	ASP	-1	-0.855	-0.915	16.860	0.093	0.093	0.000	0.000	0.000	0.000
90	A	93	VAL	0	-0.020	-0.009	19.843	0.009	0.009	0.000	0.000	0.000	0.000
91	A	94	LEU	0	-0.009	0.019	23.005	-0.006	-0.006	0.000	0.000	0.000	0.000
92	A	95	GLU	-1	-0.826	-0.900	25.226	0.068	0.068	0.000	0.000	0.000	0.000
93	A	96	LEU	0	-0.025	-0.003	28.617	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	97	LEU	0	-0.028	-0.010	30.899	-0.002	-0.002	0.000	0.000	0.000	0.000
95	A	98	VAL	0	0.027	0.008	34.462	0.000	0.000	0.000	0.000	0.000	0.000
96	A	99	THR	0	-0.054	-0.047	37.105	-0.002	-0.002	0.000	0.000	0.000	0.000
97	A	100	GLU	-1	-0.802	-0.919	40.714	0.036	0.036	0.000	0.000	0.000	0.000
98	A	101	GLU	-1	-0.889	-0.926	43.697	0.027	0.027	0.000	0.000	0.000	0.000
99	A	102	LEU	0	-0.053	-0.021	39.461	0.001	0.001	0.000	0.000	0.000	0.000
100	A	103	PRO	0	0.017	-0.008	40.178	-0.002	-0.002	0.000	0.000	0.000	0.000
101	A	104	ARG	1	0.867	0.936	43.386	-0.023	-0.023	0.000	0.000	0.000	0.000
102	A	105	PRO	0	-0.056	-0.005	45.185	0.000	0.000	0.000	0.000	0.000	0.000
103	A	106	SER	0	-0.062	-0.041	45.834	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	107	LEU	0	0.023	-0.007	47.917	0.001	0.001	0.000	0.000	0.000	0.000
105	A	108	VAL	0	-0.027	-0.004	48.992	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	109	ALA	0	0.051	0.016	51.774	0.000	0.000	0.000	0.000	0.000	0.000
107	A	110	LEU	0	-0.071	-0.034	48.267	0.000	0.000	0.000	0.000	0.000	0.000
108	A	111	PRO	0	0.009	-0.005	50.950	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	112	GLY	0	0.022	0.012	52.964	0.000	0.000	0.000	0.000	0.000	0.000
110	A	113	PRO	0	-0.036	-0.014	54.642	0.000	0.000	0.000	0.000	0.000	0.000
111	A	114	VAL	0	0.015	0.006	56.940	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	115	VAL	0	-0.009	-0.003	59.104	0.000	0.000	0.000	0.000	0.000	0.000
113	A	116	GLY	0	0.051	0.023	61.706	0.000	0.000	0.000	0.000	0.000	0.000
114	A	117	PRO	0	0.002	-0.014	64.457	0.000	0.000	0.000	0.000	0.000	0.000
115	A	118	GLY	0	0.013	0.015	65.934	0.000	0.000	0.000	0.000	0.000	0.000
116	A	119	ALA	0	0.009	0.018	61.611	0.000	0.000	0.000	0.000	0.000	0.000
117	A	120	ASN	0	-0.001	-0.012	58.059	0.000	0.000	0.000	0.000	0.000	0.000
118	A	121	VAL	0	0.025	0.025	56.416	0.000	0.000	0.000	0.000	0.000	0.000
119	A	122	SER	0	-0.006	0.000	51.036	0.001	0.001	0.000	0.000	0.000	0.000
120	A	123	LEU	0	0.024	0.019	51.958	0.000	0.000	0.000	0.000	0.000	0.000
121	A	124	ARG	1	0.857	0.897	43.052	-0.023	-0.023	0.000	0.000	0.000	0.000
122	A	125	CYS	0	-0.041	0.018	46.992	0.000	0.000	0.000	0.000	0.000	0.000
123	A	126	ALA	0	0.007	-0.013	43.258	0.001	0.001	0.000	0.000	0.000	0.000
124	A	127	GLY	0	0.070	0.045	41.947	-0.001	-0.001	0.000	0.000	0.000	0.000
125	A	128	ARG	1	0.894	0.933	37.633	-0.031	-0.031	0.000	0.000	0.000	0.000
126	A	129	LEU	0	0.037	0.030	35.346	0.002	0.002	0.000	0.000	0.000	0.000
127	A	130	ARG	1	0.909	0.943	31.316	-0.044	-0.044	0.000	0.000	0.000	0.000
128	A	131	ASN	0	-0.019	-0.012	31.087	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	132	MET	0	0.031	0.040	35.506	0.001	0.001	0.000	0.000	0.000	0.000
130	A	133	SER	0	0.002	-0.003	39.040	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	134	PHE	0	0.018	0.012	40.561	0.000	0.000	0.000	0.000	0.000	0.000
132	A	135	VAL	0	-0.001	-0.005	45.260	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	136	LEU	0	-0.008	0.002	49.043	0.000	0.000	0.000	0.000	0.000	0.000
134	A	137	TYR	0	0.060	0.014	52.003	0.000	0.000	0.000	0.000	0.000	0.000
135	A	138	ARG	1	0.861	0.928	55.661	-0.015	-0.015	0.000	0.000	0.000	0.000
136	A	139	GLU	-1	-0.854	-0.915	58.330	0.018	0.018	0.000	0.000	0.000	0.000
137	A	140	GLY	0	0.002	-0.001	61.473	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	141	VAL	0	-0.080	-0.045	60.184	0.000	0.000	0.000	0.000	0.000	0.000
139	A	142	ALA	0	0.016	0.006	59.751	0.001	0.001	0.000	0.000	0.000	0.000
140	A	143	ALA	0	-0.006	0.008	57.174	0.001	0.001	0.000	0.000	0.000	0.000
141	A	144	PRO	0	-0.010	0.003	52.646	0.000	0.000	0.000	0.000	0.000	0.000
142	A	145	LEU	0	-0.023	-0.016	54.800	0.000	0.000	0.000	0.000	0.000	0.000
143	A	146	GLN	0	-0.050	-0.042	51.226	0.000	0.000	0.000	0.000	0.000	0.000
144	A	147	TYR	0	0.058	0.024	43.634	0.000	0.000	0.000	0.000	0.000	0.000
145	A	148	ARG	1	0.832	0.905	43.420	-0.024	-0.024	0.000	0.000	0.000	0.000
146	A	149	HIS	0	-0.037	0.001	37.550	0.002	0.002	0.000	0.000	0.000	0.000
147	A	150	SER	0	-0.034	-0.039	39.509	-0.002	-0.002	0.000	0.000	0.000	0.000
148	A	151	ALA	0	0.054	0.027	33.913	0.002	0.002	0.000	0.000	0.000	0.000
149	A	152	GLN	0	0.028	0.021	35.097	0.004	0.004	0.000	0.000	0.000	0.000
150	A	153	PRO	0	-0.002	0.011	36.006	0.000	0.000	0.000	0.000	0.000	0.000
151	A	154	TRP	0	-0.042	-0.052	38.428	0.000	0.000	0.000	0.000	0.000	0.000
152	A	155	ALA	0	0.034	0.037	41.821	0.001	0.001	0.000	0.000	0.000	0.000
153	A	156	ASP	-1	-0.778	-0.843	44.620	0.022	0.022	0.000	0.000	0.000	0.000
154	A	157	PHE	0	0.007	0.000	47.266	0.000	0.000	0.000	0.000	0.000	0.000
155	A	158	THR	0	-0.002	0.006	50.617	0.000	0.000	0.000	0.000	0.000	0.000
156	A	159	LEU	0	-0.001	0.013	53.707	0.000	0.000	0.000	0.000	0.000	0.000
157	A	160	LEU	0	0.040	0.008	57.421	0.000	0.000	0.000	0.000	0.000	0.000
158	A	161	GLY	0	0.091	0.036	60.308	0.000	0.000	0.000	0.000	0.000	0.000
159	A	162	ALA	0	-0.039	-0.026	62.824	0.000	0.000	0.000	0.000	0.000	0.000
160	A	163	ARG	1	0.908	0.947	62.318	-0.013	-0.013	0.000	0.000	0.000	0.000
161	A	164	ALA	0	0.022	0.035	60.548	0.000	0.000	0.000	0.000	0.000	0.000
162	A	165	PRO	0	0.037	0.034	61.355	0.000	0.000	0.000	0.000	0.000	0.000
163	A	166	GLY	0	0.021	0.013	62.972	0.000	0.000	0.000	0.000	0.000	0.000
164	A	167	THR	0	0.014	0.013	60.192	0.000	0.000	0.000	0.000	0.000	0.000
165	A	168	TYR	0	-0.032	-0.034	56.017	0.000	0.000	0.000	0.000	0.000	0.000
166	A	169	SER	0	0.015	-0.012	54.359	0.000	0.000	0.000	0.000	0.000	0.000
167	A	171	TYR	0	0.069	0.038	48.034	0.000	0.000	0.000	0.000	0.000	0.000
168	A	172	TYR	0	-0.053	-0.059	40.429	0.000	0.000	0.000	0.000	0.000	0.000
169	A	173	HIS	0	0.032	0.009	42.758	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	174	THR	0	0.053	0.009	37.879	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	175	PRO	0	-0.056	-0.016	36.515	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	176	SER	0	-0.015	-0.002	36.683	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	177	ALA	0	0.006	0.023	39.022	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	178	PRO	0	0.035	0.011	37.318	0.003	0.003	0.000	0.000	0.000	0.000
175	A	179	TYR	0	0.037	0.009	40.192	0.000	0.000	0.000	0.000	0.000	0.000
176	A	180	VAL	0	0.036	0.023	39.840	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	181	LEU	0	-0.008	-0.008	42.509	0.000	0.000	0.000	0.000	0.000	0.000
178	A	182	SER	0	-0.044	-0.017	44.416	0.000	0.000	0.000	0.000	0.000	0.000
179	A	183	GLN	0	0.008	0.002	45.583	-0.002	-0.002	0.000	0.000	0.000	0.000
180	A	184	ARG	1	0.919	0.952	48.521	-0.020	-0.020	0.000	0.000	0.000	0.000
181	A	185	SER	0	-0.001	-0.019	50.152	0.000	0.000	0.000	0.000	0.000	0.000
182	A	186	GLU	-1	-0.827	-0.881	51.088	0.020	0.020	0.000	0.000	0.000	0.000
183	A	187	VAL	0	-0.017	0.000	53.930	0.000	0.000	0.000	0.000	0.000	0.000
184	A	188	LEU	0	-0.007	0.002	54.144	0.000	0.000	0.000	0.000	0.000	0.000
185	A	189	VAL	0	0.000	-0.004	57.261	0.000	0.000	0.000	0.000	0.000	0.000
186	A	190	ILE	0	-0.007	0.002	57.414	0.000	0.000	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:3:SER)