FMO DATABASE

FMODB ID: 2N5JR

Calculation Name: 1M06-G-Xray372

Preferred Name:

Target Type:

Ligand Name: 1',2'-dideoxyribofuranose-5'-phosphate

ligand 3-letter code: 3DR

PDB ID: 1M06

Chain ID: G

ChEMBL ID:

UniProt ID: P08767

Base Structure: X-ray

Registration Date: 2023-09-23

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	187
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1798589.269286
FMO2-HF: Nuclear repulsion	1728859.474847
FMO2-HF: Total energy	-69729.794438
FMO2-MP2: Total energy	-69930.369375

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(G:1:MET)

Summations of interaction energy for fragment #1(G:1:MET)

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.
-0.709	1.76	0.014	-1.251	-1.231	0.005

Interaction energy analysis for fragmet #1(G:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.021 / q_NPA : 0.007

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	G	3	GLN	0	0.019	0.020	3.474	-1.837	0.632	0.014	-1.251	-1.231	0.005
4	G	4	ASN	0	-0.001	-0.007	6.045	0.456	0.456	0.000	0.000	0.000	0.000
5	G	5	PHE	0	0.010	-0.022	8.095	-0.085	-0.085	0.000	0.000	0.000	0.000
6	G	6	VAL	0	0.029	0.046	11.547	0.043	0.043	0.000	0.000	0.000	0.000
7	G	7	THR	0	-0.023	-0.029	13.015	0.044	0.044	0.000	0.000	0.000	0.000
8	G	8	LYS	1	0.990	0.995	15.638	-0.084	-0.084	0.000	0.000	0.000	0.000
9	G	9	HIS	0	0.060	0.053	18.615	0.016	0.016	0.000	0.000	0.000	0.000
10	G	10	ASP	-1	-0.862	-0.927	18.805	-0.370	-0.370	0.000	0.000	0.000	0.000
11	G	11	THR	0	-0.060	-0.031	20.609	0.029	0.029	0.000	0.000	0.000	0.000
12	G	12	ALA	0	0.077	0.039	22.753	-0.022	-0.022	0.000	0.000	0.000	0.000
13	G	13	ILE	0	0.051	0.031	21.337	-0.008	-0.008	0.000	0.000	0.000	0.000
14	G	14	GLN	0	-0.047	-0.011	25.366	0.005	0.005	0.000	0.000	0.000	0.000
15	G	15	THR	0	-0.003	-0.011	28.262	0.017	0.017	0.000	0.000	0.000	0.000
16	G	16	SER	0	0.017	-0.002	29.850	-0.001	-0.001	0.000	0.000	0.000	0.000
17	G	17	ARG	1	0.887	0.939	25.325	0.202	0.202	0.000	0.000	0.000	0.000
18	G	18	PHE	0	0.061	0.031	32.304	0.005	0.005	0.000	0.000	0.000	0.000
19	G	19	SER	0	-0.016	-0.002	33.530	-0.005	-0.005	0.000	0.000	0.000	0.000
20	G	20	VAL	0	0.031	0.025	35.042	0.004	0.004	0.000	0.000	0.000	0.000
21	G	21	THR	0	-0.022	-0.024	36.456	0.000	0.000	0.000	0.000	0.000	0.000
22	G	22	GLY	0	0.026	0.016	39.062	0.003	0.003	0.000	0.000	0.000	0.000
23	G	23	ASN	0	-0.032	-0.030	40.580	0.003	0.003	0.000	0.000	0.000	0.000
24	G	24	VAL	0	0.034	0.031	37.674	-0.002	-0.002	0.000	0.000	0.000	0.000
25	G	25	ILE	0	0.003	-0.009	40.883	0.002	0.002	0.000	0.000	0.000	0.000
26	G	26	PRO	0	-0.023	0.014	39.302	0.000	0.000	0.000	0.000	0.000	0.000
27	G	27	ALA	0	0.035	0.009	41.296	0.002	0.002	0.000	0.000	0.000	0.000
28	G	28	ALA	0	0.078	0.036	42.064	0.001	0.001	0.000	0.000	0.000	0.000
29	G	29	PRO	0	0.018	0.002	41.844	-0.002	-0.002	0.000	0.000	0.000	0.000
30	G	30	THR	0	-0.020	-0.010	43.770	-0.001	-0.001	0.000	0.000	0.000	0.000
31	G	31	GLY	0	0.015	0.021	46.572	0.000	0.000	0.000	0.000	0.000	0.000
32	G	32	ASN	0	-0.010	-0.014	46.191	0.002	0.002	0.000	0.000	0.000	0.000
33	G	33	ILE	0	0.025	0.028	39.470	-0.001	-0.001	0.000	0.000	0.000	0.000
34	G	34	PRO	0	-0.012	-0.002	41.168	-0.003	-0.003	0.000	0.000	0.000	0.000
35	G	35	VAL	0	0.018	0.028	39.037	-0.001	-0.001	0.000	0.000	0.000	0.000
36	G	36	ILE	0	-0.026	0.004	35.708	-0.002	-0.002	0.000	0.000	0.000	0.000
37	G	37	ASN	0	-0.063	-0.065	36.161	-0.004	-0.004	0.000	0.000	0.000	0.000
38	G	38	GLY	0	0.060	0.045	39.999	0.004	0.004	0.000	0.000	0.000	0.000
39	G	39	GLY	0	-0.027	-0.005	40.440	0.000	0.000	0.000	0.000	0.000	0.000
40	G	40	SER	0	-0.035	-0.029	37.992	-0.008	-0.008	0.000	0.000	0.000	0.000
41	G	41	ILE	0	0.007	-0.006	33.222	-0.001	-0.001	0.000	0.000	0.000	0.000
42	G	42	THR	0	0.058	-0.030	35.281	0.007	0.007	0.000	0.000	0.000	0.000
43	G	43	ALA	0	-0.025	0.035	32.093	0.001	0.001	0.000	0.000	0.000	0.000
44	G	44	GLH	0	0.148	0.079	31.080	-0.004	-0.004	0.000	0.000	0.000	0.000
45	G	45	ARG	1	0.911	0.975	23.887	0.181	0.181	0.000	0.000	0.000	0.000
46	G	46	ALA	0	-0.215	-0.069	29.094	0.005	0.005	0.000	0.000	0.000	0.000
47	G	47	VAL	0	-0.069	-0.067	26.750	-0.007	-0.007	0.000	0.000	0.000	0.000
48	G	48	VAL	0	0.030	0.024	29.196	0.000	0.000	0.000	0.000	0.000	0.000
49	G	49	ASN	0	-0.061	-0.034	28.085	-0.004	-0.004	0.000	0.000	0.000	0.000
50	G	50	LEU	0	0.054	0.020	30.746	0.007	0.007	0.000	0.000	0.000	0.000
51	G	51	TYR	0	0.020	0.001	31.949	-0.002	-0.002	0.000	0.000	0.000	0.000
52	G	52	ALA	0	0.013	0.010	34.630	0.001	0.001	0.000	0.000	0.000	0.000
53	G	53	ASN	0	-0.091	-0.050	36.869	0.002	0.002	0.000	0.000	0.000	0.000
54	G	54	MET	0	0.029	0.025	36.741	-0.001	-0.001	0.000	0.000	0.000	0.000
55	G	55	ASN	0	0.026	0.022	39.010	0.003	0.003	0.000	0.000	0.000	0.000
56	G	56	VAL	0	0.031	0.004	42.035	0.000	0.000	0.000	0.000	0.000	0.000
57	G	57	SER	0	-0.066	-0.022	44.355	0.002	0.002	0.000	0.000	0.000	0.000
58	G	58	THR	0	0.007	-0.003	46.465	0.001	0.001	0.000	0.000	0.000	0.000
59	G	59	SER	0	0.005	0.018	44.819	0.002	0.002	0.000	0.000	0.000	0.000
60	G	60	SER	0	0.016	-0.007	43.906	-0.002	-0.002	0.000	0.000	0.000	0.000
61	G	61	ASP	-1	-0.977	-0.969	40.783	0.001	0.001	0.000	0.000	0.000	0.000
62	G	62	GLY	0	0.053	0.012	39.763	-0.001	-0.001	0.000	0.000	0.000	0.000
63	G	63	SER	0	-0.061	-0.033	36.978	0.002	0.002	0.000	0.000	0.000	0.000
64	G	64	PHE	0	0.008	0.000	33.335	-0.001	-0.001	0.000	0.000	0.000	0.000
65	G	65	ILE	0	0.025	0.004	35.652	0.001	0.001	0.000	0.000	0.000	0.000
66	G	66	VAL	0	-0.035	-0.004	32.400	-0.003	-0.003	0.000	0.000	0.000	0.000
67	G	67	ALA	0	-0.012	-0.017	33.973	0.001	0.001	0.000	0.000	0.000	0.000
68	G	68	MET	0	0.037	0.086	30.905	-0.014	-0.014	0.000	0.000	0.000	0.000
69	G	69	LYS	1	0.920	0.972	35.394	0.070	0.070	0.000	0.000	0.000	0.000
70	G	70	VAL	0	0.014	-0.009	34.401	-0.007	-0.007	0.000	0.000	0.000	0.000
71	G	71	ASP	-1	-0.892	-0.921	34.690	-0.083	-0.083	0.000	0.000	0.000	0.000
72	G	72	THR	0	0.023	-0.022	36.016	0.001	0.001	0.000	0.000	0.000	0.000
73	G	73	SER	0	-0.085	-0.048	37.052	0.004	0.004	0.000	0.000	0.000	0.000
74	G	74	PRO	0	-0.045	-0.023	33.926	0.002	0.002	0.000	0.000	0.000	0.000
75	G	75	THR	0	0.060	0.019	36.307	0.003	0.003	0.000	0.000	0.000	0.000
76	G	76	ASP	-1	-0.982	-0.975	33.215	-0.053	-0.053	0.000	0.000	0.000	0.000
77	G	77	PRO	0	-0.018	0.009	34.752	-0.001	-0.001	0.000	0.000	0.000	0.000
78	G	78	ASN	0	0.060	0.007	32.699	0.004	0.004	0.000	0.000	0.000	0.000
79	G	79	CYS	0	-0.002	0.027	29.491	-0.002	-0.002	0.000	0.000	0.000	0.000
80	G	80	VAL	0	0.019	0.010	24.316	0.006	0.006	0.000	0.000	0.000	0.000
81	G	81	ILE	0	0.013	0.007	27.653	-0.015	-0.015	0.000	0.000	0.000	0.000
82	G	82	SER	0	-0.005	-0.023	23.122	0.009	0.009	0.000	0.000	0.000	0.000
83	G	83	ALA	0	0.026	0.004	24.597	-0.010	-0.010	0.000	0.000	0.000	0.000
84	G	84	GLY	0	-0.023	-0.022	22.609	0.004	0.004	0.000	0.000	0.000	0.000
85	G	85	VAL	0	-0.045	-0.016	23.227	-0.009	-0.009	0.000	0.000	0.000	0.000
86	G	86	ASN	0	0.001	-0.001	20.250	0.020	0.020	0.000	0.000	0.000	0.000
87	G	87	LEU	0	-0.015	0.008	24.302	-0.008	-0.008	0.000	0.000	0.000	0.000
88	G	88	SER	0	0.003	0.012	26.910	0.012	0.012	0.000	0.000	0.000	0.000
89	G	89	PHE	0	0.002	-0.040	28.421	-0.005	-0.005	0.000	0.000	0.000	0.000
90	G	90	ALA	0	-0.030	-0.015	31.840	0.003	0.003	0.000	0.000	0.000	0.000
91	G	91	GLY	0	0.024	0.011	34.154	0.004	0.004	0.000	0.000	0.000	0.000
92	G	92	THR	0	-0.047	-0.034	32.862	0.000	0.000	0.000	0.000	0.000	0.000
93	G	93	SER	0	0.011	0.015	33.412	0.001	0.001	0.000	0.000	0.000	0.000
94	G	94	TYR	0	-0.066	0.004	30.184	0.002	0.002	0.000	0.000	0.000	0.000
95	G	95	PRO	0	-0.020	0.016	28.910	0.002	0.002	0.000	0.000	0.000	0.000
96	G	96	ILE	0	0.068	-0.015	29.478	0.006	0.006	0.000	0.000	0.000	0.000
97	G	97	VAL	0	-0.021	-0.022	26.561	-0.008	-0.008	0.000	0.000	0.000	0.000
98	G	98	GLY	0	0.058	0.030	29.063	0.010	0.010	0.000	0.000	0.000	0.000
99	G	99	ILE	0	-0.010	0.013	27.192	-0.009	-0.009	0.000	0.000	0.000	0.000
100	G	100	VAL	0	-0.019	-0.012	31.070	0.007	0.007	0.000	0.000	0.000	0.000
101	G	101	ARG	1	0.866	0.933	34.792	0.019	0.019	0.000	0.000	0.000	0.000
102	G	102	PHE	0	0.011	0.006	37.320	0.004	0.004	0.000	0.000	0.000	0.000
103	G	103	GLU	-1	-0.712	-0.855	40.925	-0.031	-0.031	0.000	0.000	0.000	0.000
104	G	104	SER	0	0.012	-0.011	43.431	0.002	0.002	0.000	0.000	0.000	0.000
105	G	105	ALA	0	0.066	0.039	45.934	-0.003	-0.003	0.000	0.000	0.000	0.000
106	G	106	SER	0	-0.067	-0.026	47.249	-0.003	-0.003	0.000	0.000	0.000	0.000
107	G	107	GLU	-1	-0.825	-0.930	44.076	-0.059	-0.059	0.000	0.000	0.000	0.000
108	G	108	GLN	0	-0.044	-0.018	41.136	-0.004	-0.004	0.000	0.000	0.000	0.000
109	G	109	PRO	0	-0.016	0.000	42.575	0.002	0.002	0.000	0.000	0.000	0.000
110	G	110	THR	0	0.059	0.027	43.173	-0.001	-0.001	0.000	0.000	0.000	0.000
111	G	111	SER	0	-0.086	-0.050	43.730	0.001	0.001	0.000	0.000	0.000	0.000
112	G	112	ILE	0	0.014	0.012	41.323	0.000	0.000	0.000	0.000	0.000	0.000
113	G	113	ALA	0	0.037	0.022	44.185	0.001	0.001	0.000	0.000	0.000	0.000
114	G	114	GLY	0	0.067	0.000	43.077	0.000	0.000	0.000	0.000	0.000	0.000
115	G	115	SER	0	-0.075	-0.038	43.300	0.001	0.001	0.000	0.000	0.000	0.000
116	G	116	GLU	-1	-0.947	-0.967	44.869	-0.013	-0.013	0.000	0.000	0.000	0.000
117	G	117	VAL	0	-0.098	-0.040	38.532	-0.003	-0.003	0.000	0.000	0.000	0.000
118	G	118	GLU	-1	-0.788	-0.839	37.488	-0.002	-0.002	0.000	0.000	0.000	0.000
119	G	119	HIS	0	-0.003	-0.029	34.849	-0.005	-0.005	0.000	0.000	0.000	0.000
120	G	120	TYR	0	-0.052	-0.054	30.981	0.004	0.004	0.000	0.000	0.000	0.000
121	G	121	PRO	0	-0.022	-0.019	29.701	-0.005	-0.005	0.000	0.000	0.000	0.000
122	G	122	ILE	0	-0.006	-0.005	24.800	0.000	0.000	0.000	0.000	0.000	0.000
123	G	123	GLU	-1	-0.943	-0.960	19.189	0.141	0.141	0.000	0.000	0.000	0.000
124	G	124	MET	0	-0.093	-0.001	22.387	-0.018	-0.018	0.000	0.000	0.000	0.000
125	G	125	SER	0	-0.019	-0.011	17.828	0.023	0.023	0.000	0.000	0.000	0.000
126	G	126	VAL	0	-0.026	-0.009	19.804	0.014	0.014	0.000	0.000	0.000	0.000
127	G	127	GLY	0	0.083	0.025	22.179	-0.012	-0.012	0.000	0.000	0.000	0.000
128	G	128	SER	0	-0.041	0.001	25.127	0.005	0.005	0.000	0.000	0.000	0.000
129	G	129	GLY	0	0.080	0.010	26.855	-0.004	-0.004	0.000	0.000	0.000	0.000
130	G	130	GLY	0	0.058	0.014	28.898	-0.003	-0.003	0.000	0.000	0.000	0.000
131	G	131	VAL	0	-0.026	-0.003	23.923	-0.009	-0.009	0.000	0.000	0.000	0.000
132	G	132	CYS	0	-0.005	0.010	25.370	0.010	0.010	0.000	0.000	0.000	0.000
133	G	133	SER	0	-0.031	-0.015	20.531	-0.013	-0.013	0.000	0.000	0.000	0.000
134	G	134	ALA	0	0.036	0.014	21.194	0.022	0.022	0.000	0.000	0.000	0.000
135	G	135	ARG	1	0.869	0.937	15.678	0.218	0.218	0.000	0.000	0.000	0.000
136	G	136	ASP	-1	-0.844	-0.893	19.656	0.050	0.050	0.000	0.000	0.000	0.000
137	G	137	CYS	0	-0.082	-0.057	22.027	-0.024	-0.024	0.000	0.000	0.000	0.000
138	G	138	ALA	0	0.064	0.036	24.774	0.016	0.016	0.000	0.000	0.000	0.000
139	G	139	THR	0	-0.018	-0.020	27.658	-0.013	-0.013	0.000	0.000	0.000	0.000
140	G	140	VAL	0	0.016	0.018	29.819	0.005	0.005	0.000	0.000	0.000	0.000
141	G	141	ASP	-1	-0.810	-0.887	33.134	-0.026	-0.026	0.000	0.000	0.000	0.000
142	G	142	ILE	0	-0.017	-0.023	33.782	-0.002	-0.002	0.000	0.000	0.000	0.000
143	G	143	HIS	0	-0.022	0.009	36.690	-0.002	-0.002	0.000	0.000	0.000	0.000
144	G	144	PRO	0	-0.054	-0.029	40.296	0.003	0.003	0.000	0.000	0.000	0.000
145	G	145	ARG	1	0.753	0.823	38.821	0.015	0.015	0.000	0.000	0.000	0.000
146	G	146	THR	0	-0.052	-0.010	44.842	0.003	0.003	0.000	0.000	0.000	0.000
147	G	147	SER	0	-0.056	-0.045	48.070	-0.003	-0.003	0.000	0.000	0.000	0.000
148	G	148	GLY	0	0.035	0.015	48.308	0.001	0.001	0.000	0.000	0.000	0.000
149	G	149	ASN	0	-0.062	-0.007	45.878	-0.002	-0.002	0.000	0.000	0.000	0.000
150	G	150	ASN	0	-0.023	0.001	42.667	-0.004	-0.004	0.000	0.000	0.000	0.000
151	G	151	VAL	0	0.042	0.010	37.793	0.003	0.003	0.000	0.000	0.000	0.000
152	G	152	PHE	0	-0.050	-0.018	37.962	-0.007	-0.007	0.000	0.000	0.000	0.000
153	G	153	VAL	0	0.057	0.016	32.241	0.006	0.006	0.000	0.000	0.000	0.000
154	G	154	GLY	0	0.005	0.006	32.432	-0.008	-0.008	0.000	0.000	0.000	0.000
155	G	155	VAL	0	0.014	0.014	29.045	0.006	0.006	0.000	0.000	0.000	0.000
156	G	156	ILE	0	-0.022	-0.005	31.519	-0.004	-0.004	0.000	0.000	0.000	0.000
157	G	157	CYS	0	-0.049	-0.022	30.997	0.003	0.003	0.000	0.000	0.000	0.000
158	G	158	SER	0	0.013	-0.019	33.121	-0.001	-0.001	0.000	0.000	0.000	0.000
159	G	159	SER	0	-0.013	-0.037	33.897	0.001	0.001	0.000	0.000	0.000	0.000
160	G	160	ALA	0	0.028	0.017	36.111	-0.001	-0.001	0.000	0.000	0.000	0.000
161	G	161	LYS	1	0.934	0.960	37.832	-0.008	-0.008	0.000	0.000	0.000	0.000
162	G	162	TRP	0	-0.019	-0.018	34.109	-0.001	-0.001	0.000	0.000	0.000	0.000
163	G	163	THR	0	-0.029	-0.025	37.815	0.003	0.003	0.000	0.000	0.000	0.000
164	G	164	SER	0	-0.034	-0.014	38.657	-0.003	-0.003	0.000	0.000	0.000	0.000
165	G	165	GLY	0	0.037	0.017	38.171	0.002	0.002	0.000	0.000	0.000	0.000
166	G	166	ARG	1	0.898	0.977	34.380	0.062	0.062	0.000	0.000	0.000	0.000
167	G	167	VAL	0	0.012	0.015	32.003	0.002	0.002	0.000	0.000	0.000	0.000
168	G	168	ILE	0	-0.041	-0.034	29.046	-0.004	-0.004	0.000	0.000	0.000	0.000
169	G	169	GLY	0	0.049	0.011	27.287	0.003	0.003	0.000	0.000	0.000	0.000
170	G	170	THR	0	-0.094	-0.049	25.339	-0.011	-0.011	0.000	0.000	0.000	0.000
171	G	171	ILE	0	0.031	0.026	26.406	0.003	0.003	0.000	0.000	0.000	0.000
172	G	172	ALA	0	-0.002	-0.008	24.687	-0.005	-0.005	0.000	0.000	0.000	0.000
173	G	173	THR	0	0.007	-0.032	26.541	0.012	0.012	0.000	0.000	0.000	0.000
174	G	174	THR	0	-0.050	-0.051	25.362	-0.017	-0.017	0.000	0.000	0.000	0.000
175	G	175	GLN	0	0.089	0.051	27.352	0.008	0.008	0.000	0.000	0.000	0.000
176	G	176	VAL	0	-0.040	-0.026	23.745	-0.011	-0.011	0.000	0.000	0.000	0.000
177	G	177	ILE	0	0.027	0.010	26.655	0.011	0.011	0.000	0.000	0.000	0.000
178	G	178	HIS	0	-0.018	-0.022	26.247	-0.010	-0.010	0.000	0.000	0.000	0.000
179	G	179	GLU	-1	-0.955	-0.954	20.223	-0.190	-0.190	0.000	0.000	0.000	0.000
180	G	180	TYR	0	-0.041	-0.029	20.639	0.004	0.004	0.000	0.000	0.000	0.000
181	G	181	GLN	0	-0.004	0.012	19.592	-0.045	-0.045	0.000	0.000	0.000	0.000
182	G	182	VAL	0	0.035	0.001	14.642	-0.016	-0.016	0.000	0.000	0.000	0.000
183	G	183	LEU	0	-0.003	0.003	13.136	-0.001	-0.001	0.000	0.000	0.000	0.000
184	G	184	GLN	0	0.030	0.017	12.343	-0.133	-0.133	0.000	0.000	0.000	0.000
185	G	185	PRO	0	-0.013	-0.017	8.823	0.128	0.128	0.000	0.000	0.000	0.000
186	G	186	LEU	0	0.004	-0.001	8.142	0.053	0.053	0.000	0.000	0.000	0.000
187	G	187	LYS	1	0.911	0.983	11.984	0.622	0.622	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(G:1:MET)