FMO DATABASE

FMODB ID: G6LM1

Calculation Name: 5F9Q-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5F9Q

Chain ID: A

ChEMBL ID:

UniProt ID:

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	192
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1970797.711719
FMO2-HF: Nuclear repulsion	1896306.169138
FMO2-HF: Total energy	-74491.54258
FMO2-MP2: Total energy	-74706.781302

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:16:ASN)

Summations of interaction energy for fragment #1(A:16:ASN)

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.
-18.686	-9.515	6.028	-4.682	-10.518	-0.005

Interaction energy analysis for fragmet #1(A:16:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.013 / 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	18	ILE	0	-0.027	-0.015	3.749	1.507	3.268	-0.039	-0.705	-1.018	0.003
4	A	19	GLU	-1	-0.922	-0.963	6.545	0.070	0.070	0.000	0.000	0.000	0.000
5	A	20	LEU	0	-0.042	-0.017	10.172	0.054	0.054	0.000	0.000	0.000	0.000
6	A	21	PHE	0	-0.012	-0.007	12.572	0.018	0.018	0.000	0.000	0.000	0.000
7	A	22	TYR	0	0.046	0.009	16.409	-0.050	-0.050	0.000	0.000	0.000	0.000
8	A	23	MET	0	-0.052	-0.023	17.777	0.035	0.035	0.000	0.000	0.000	0.000
9	A	24	PRO	0	0.024	0.021	22.121	0.002	0.002	0.000	0.000	0.000	0.000
10	A	25	SER	0	0.044	0.023	25.142	0.015	0.015	0.000	0.000	0.000	0.000
11	A	26	ASP	-1	-0.833	-0.930	27.038	0.125	0.125	0.000	0.000	0.000	0.000
12	A	27	GLU	-1	-0.968	-0.985	29.596	0.054	0.054	0.000	0.000	0.000	0.000
13	A	28	GLU	-1	-0.842	-0.907	26.138	-0.006	-0.006	0.000	0.000	0.000	0.000
14	A	29	LEU	0	0.031	0.001	29.011	-0.016	-0.016	0.000	0.000	0.000	0.000
15	A	30	THR	0	-0.129	-0.065	31.125	-0.014	-0.014	0.000	0.000	0.000	0.000
16	A	31	ALA	0	-0.011	0.004	31.973	-0.007	-0.007	0.000	0.000	0.000	0.000
17	A	32	ASN	0	0.004	-0.008	29.909	-0.015	-0.015	0.000	0.000	0.000	0.000
18	A	33	PRO	0	0.016	0.010	32.155	0.004	0.004	0.000	0.000	0.000	0.000
19	A	34	ASN	0	-0.086	-0.070	33.626	-0.011	-0.011	0.000	0.000	0.000	0.000
20	A	35	ALA	0	0.057	0.053	31.008	-0.005	-0.005	0.000	0.000	0.000	0.000
21	A	36	LEU	0	-0.033	0.007	28.677	-0.005	-0.005	0.000	0.000	0.000	0.000
22	A	37	GLN	0	-0.048	-0.027	25.694	-0.001	-0.001	0.000	0.000	0.000	0.000
23	A	38	GLU	-1	-0.902	-0.947	24.634	0.139	0.139	0.000	0.000	0.000	0.000
24	A	39	ALA	0	0.008	-0.025	20.219	-0.018	-0.018	0.000	0.000	0.000	0.000
25	A	40	SER	0	-0.071	-0.003	22.177	-0.023	-0.023	0.000	0.000	0.000	0.000
26	A	41	PHE	0	-0.003	0.011	16.765	-0.022	-0.022	0.000	0.000	0.000	0.000
27	A	42	THR	0	0.076	0.041	20.513	-0.019	-0.019	0.000	0.000	0.000	0.000
28	A	43	GLU	-1	-0.838	-0.925	20.571	-0.386	-0.386	0.000	0.000	0.000	0.000
29	A	44	GLU	-1	-0.965	-0.969	20.683	-0.395	-0.395	0.000	0.000	0.000	0.000
30	A	45	ASP	-1	-0.722	-0.828	18.470	-0.365	-0.365	0.000	0.000	0.000	0.000
31	A	46	ILE	0	-0.052	-0.026	16.008	-0.104	-0.104	0.000	0.000	0.000	0.000
32	A	47	ASN	0	-0.048	-0.035	15.908	-0.191	-0.191	0.000	0.000	0.000	0.000
33	A	48	GLY	0	0.025	0.011	17.411	-0.080	-0.080	0.000	0.000	0.000	0.000
34	A	49	LEU	0	0.003	-0.013	12.712	-0.102	-0.102	0.000	0.000	0.000	0.000
35	A	50	LYS	1	0.857	0.936	11.770	1.678	1.678	0.000	0.000	0.000	0.000
36	A	51	GLY	0	-0.027	-0.010	13.238	-0.176	-0.176	0.000	0.000	0.000	0.000
37	A	52	VAL	0	-0.032	0.001	11.614	0.111	0.111	0.000	0.000	0.000	0.000
38	A	53	ASP	-1	-0.879	-0.937	11.814	-1.695	-1.695	0.000	0.000	0.000	0.000
39	A	54	GLY	0	0.031	0.028	8.625	0.077	0.077	0.000	0.000	0.000	0.000
40	A	55	VAL	0	-0.073	-0.028	6.789	-1.523	-1.523	0.000	0.000	0.000	0.000
41	A	56	LYS	1	0.983	1.001	5.710	5.698	5.698	0.000	0.000	0.000	0.000
42	A	57	GLN	0	-0.102	-0.073	7.617	1.024	1.024	0.000	0.000	0.000	0.000
43	A	58	VAL	0	0.046	0.040	8.627	-0.257	-0.257	0.000	0.000	0.000	0.000
44	A	59	VAL	0	-0.055	-0.023	8.662	0.158	0.158	0.000	0.000	0.000	0.000
45	A	60	ALA	0	0.027	0.017	11.747	0.180	0.180	0.000	0.000	0.000	0.000
46	A	61	SER	0	-0.020	-0.032	15.217	0.029	0.029	0.000	0.000	0.000	0.000
47	A	62	ALA	0	0.043	0.032	17.685	0.029	0.029	0.000	0.000	0.000	0.000
48	A	63	VAL	0	0.000	0.014	18.721	-0.014	-0.014	0.000	0.000	0.000	0.000
49	A	64	LYS	1	0.928	0.957	21.785	0.042	0.042	0.000	0.000	0.000	0.000
50	A	65	SER	0	0.022	0.020	25.420	0.002	0.002	0.000	0.000	0.000	0.000
51	A	66	MET	0	-0.034	-0.008	27.633	-0.017	-0.017	0.000	0.000	0.000	0.000
52	A	67	THR	0	0.026	0.019	30.578	0.006	0.006	0.000	0.000	0.000	0.000
53	A	68	ALA	0	-0.056	-0.030	30.953	-0.014	-0.014	0.000	0.000	0.000	0.000
54	A	69	ARG	1	0.942	0.967	33.033	-0.003	-0.003	0.000	0.000	0.000	0.000
55	A	70	TYR	0	0.001	-0.011	35.833	-0.014	-0.014	0.000	0.000	0.000	0.000
56	A	71	HIS	0	-0.027	-0.010	37.677	0.007	0.007	0.000	0.000	0.000	0.000
57	A	72	GLU	-1	-0.960	-0.991	41.443	0.013	0.013	0.000	0.000	0.000	0.000
58	A	73	GLU	-1	-0.950	-0.947	37.651	0.036	0.036	0.000	0.000	0.000	0.000
59	A	74	ASP	-1	-0.845	-0.940	36.584	0.018	0.018	0.000	0.000	0.000	0.000
60	A	75	THR	0	-0.068	-0.047	31.263	0.015	0.015	0.000	0.000	0.000	0.000
61	A	76	ASP	-1	-0.888	-0.920	30.946	0.073	0.073	0.000	0.000	0.000	0.000
62	A	77	ILE	0	-0.071	-0.058	27.221	0.010	0.010	0.000	0.000	0.000	0.000
63	A	78	THR	0	0.001	-0.001	21.562	0.010	0.010	0.000	0.000	0.000	0.000
64	A	79	LEU	0	-0.033	-0.014	24.349	-0.014	-0.014	0.000	0.000	0.000	0.000
65	A	80	ASN	0	0.014	-0.008	19.187	0.031	0.031	0.000	0.000	0.000	0.000
66	A	81	GLY	0	0.009	-0.001	21.353	-0.030	-0.030	0.000	0.000	0.000	0.000
67	A	82	ILE	0	-0.015	-0.010	16.964	0.005	0.005	0.000	0.000	0.000	0.000
68	A	83	ASN	0	0.071	0.017	14.259	0.074	0.074	0.000	0.000	0.000	0.000
69	A	84	SER	0	0.007	-0.007	16.899	-0.006	-0.006	0.000	0.000	0.000	0.000
70	A	85	GLY	0	0.057	0.028	12.926	-0.058	-0.058	0.000	0.000	0.000	0.000
71	A	86	TYR	0	0.011	-0.002	11.686	-0.123	-0.123	0.000	0.000	0.000	0.000
72	A	87	MET	0	-0.039	-0.032	12.183	0.072	0.072	0.000	0.000	0.000	0.000
73	A	88	ASP	-1	-0.873	-0.907	10.306	-2.142	-2.142	0.000	0.000	0.000	0.000
74	A	89	VAL	0	-0.029	-0.007	6.394	-0.014	-0.014	0.000	0.000	0.000	0.000
75	A	90	LYS	1	0.921	0.962	8.319	-0.018	-0.018	0.000	0.000	0.000	0.000
76	A	91	LYS	1	0.909	0.970	8.646	0.523	0.523	0.000	0.000	0.000	0.000
77	A	92	LEU	0	-0.008	-0.019	11.998	0.129	0.129	0.000	0.000	0.000	0.000
78	A	93	ASP	-1	-0.896	-0.946	15.329	-0.241	-0.241	0.000	0.000	0.000	0.000
79	A	94	VAL	0	-0.030	-0.013	18.183	0.055	0.055	0.000	0.000	0.000	0.000
80	A	95	GLN	0	-0.029	-0.012	21.768	-0.009	-0.009	0.000	0.000	0.000	0.000
81	A	96	ASP	-1	-0.907	-0.951	24.502	-0.068	-0.068	0.000	0.000	0.000	0.000
82	A	97	GLY	0	-0.010	-0.010	26.990	0.002	0.002	0.000	0.000	0.000	0.000
83	A	98	ARG	1	0.927	0.955	25.207	0.220	0.220	0.000	0.000	0.000	0.000
84	A	99	THR	0	0.051	0.019	19.252	0.032	0.032	0.000	0.000	0.000	0.000
85	A	100	PHE	0	-0.031	-0.019	20.592	0.009	0.009	0.000	0.000	0.000	0.000
86	A	101	THR	0	-0.028	-0.018	21.402	-0.049	-0.049	0.000	0.000	0.000	0.000
87	A	102	ASP	-1	-0.813	-0.920	19.580	-0.735	-0.735	0.000	0.000	0.000	0.000
88	A	103	ASN	0	0.004	-0.014	22.255	0.007	0.007	0.000	0.000	0.000	0.000
89	A	104	ASP	-1	-0.899	-0.935	24.320	-0.284	-0.284	0.000	0.000	0.000	0.000
90	A	105	PHE	0	0.006	-0.004	19.236	0.022	0.022	0.000	0.000	0.000	0.000
91	A	106	LEU	0	-0.003	0.010	23.573	0.023	0.023	0.000	0.000	0.000	0.000
92	A	107	SER	0	-0.086	-0.051	25.804	0.031	0.031	0.000	0.000	0.000	0.000
93	A	108	GLY	0	0.033	0.025	26.907	0.025	0.025	0.000	0.000	0.000	0.000
94	A	109	LYS	1	0.917	0.963	27.896	0.291	0.291	0.000	0.000	0.000	0.000
95	A	110	ARG	1	0.942	0.975	28.666	0.119	0.119	0.000	0.000	0.000	0.000
96	A	111	ALA	0	-0.002	0.008	27.470	0.012	0.012	0.000	0.000	0.000	0.000
97	A	112	GLY	0	0.042	-0.006	25.782	-0.011	-0.011	0.000	0.000	0.000	0.000
98	A	113	ILE	0	-0.039	0.000	21.509	0.002	0.002	0.000	0.000	0.000	0.000
99	A	114	ILE	0	0.012	0.005	23.502	0.017	0.017	0.000	0.000	0.000	0.000
100	A	115	SER	0	0.046	0.000	22.692	-0.015	-0.015	0.000	0.000	0.000	0.000
101	A	116	LYS	1	1.030	1.009	24.099	-0.082	-0.082	0.000	0.000	0.000	0.000
102	A	117	LYS	1	0.970	1.003	25.847	-0.158	-0.158	0.000	0.000	0.000	0.000
103	A	118	MET	0	-0.020	0.007	26.353	-0.008	-0.008	0.000	0.000	0.000	0.000
104	A	119	ALA	0	0.023	0.013	28.427	-0.009	-0.009	0.000	0.000	0.000	0.000
105	A	120	GLU	-1	-0.913	-0.961	30.114	0.077	0.077	0.000	0.000	0.000	0.000
106	A	121	LYS	1	0.849	0.921	31.240	-0.107	-0.107	0.000	0.000	0.000	0.000
107	A	122	LEU	0	0.033	0.026	31.911	-0.003	-0.003	0.000	0.000	0.000	0.000
108	A	123	PHE	0	0.022	0.005	32.212	-0.008	-0.008	0.000	0.000	0.000	0.000
109	A	124	GLY	0	-0.010	0.005	35.151	-0.004	-0.004	0.000	0.000	0.000	0.000
110	A	125	LYS	1	0.945	0.957	34.531	-0.013	-0.013	0.000	0.000	0.000	0.000
111	A	126	THR	0	-0.074	-0.034	36.445	-0.006	-0.006	0.000	0.000	0.000	0.000
112	A	127	SER	0	0.031	0.017	34.132	0.001	0.001	0.000	0.000	0.000	0.000
113	A	128	PRO	0	0.060	0.022	30.782	-0.003	-0.003	0.000	0.000	0.000	0.000
114	A	129	LEU	0	-0.032	-0.002	29.104	-0.007	-0.007	0.000	0.000	0.000	0.000
115	A	130	GLY	0	0.005	0.008	32.710	0.005	0.005	0.000	0.000	0.000	0.000
116	A	131	LYS	1	0.815	0.921	34.473	0.056	0.056	0.000	0.000	0.000	0.000
117	A	132	ILE	0	-0.019	-0.005	34.075	-0.007	-0.007	0.000	0.000	0.000	0.000
118	A	133	VAL	0	0.012	0.006	31.741	0.011	0.011	0.000	0.000	0.000	0.000
119	A	134	TRP	0	-0.010	-0.019	33.860	-0.014	-0.014	0.000	0.000	0.000	0.000
120	A	135	ALA	0	0.022	0.014	30.344	0.014	0.014	0.000	0.000	0.000	0.000
121	A	136	GLY	0	0.045	0.017	32.408	-0.010	-0.010	0.000	0.000	0.000	0.000
122	A	137	GLY	0	-0.013	-0.005	33.968	-0.004	-0.004	0.000	0.000	0.000	0.000
123	A	138	GLN	0	-0.005	-0.012	32.945	-0.019	-0.019	0.000	0.000	0.000	0.000
124	A	139	PRO	0	-0.045	0.006	33.973	0.004	0.004	0.000	0.000	0.000	0.000
125	A	140	VAL	0	0.012	-0.019	28.683	-0.015	-0.015	0.000	0.000	0.000	0.000
126	A	141	GLU	-1	-0.921	-0.952	31.974	-0.130	-0.130	0.000	0.000	0.000	0.000
127	A	142	VAL	0	-0.016	-0.003	28.546	-0.015	-0.015	0.000	0.000	0.000	0.000
128	A	143	ILE	0	-0.015	-0.017	25.336	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	144	GLY	0	0.025	0.009	25.280	-0.018	-0.018	0.000	0.000	0.000	0.000
130	A	145	VAL	0	-0.032	-0.009	25.643	0.016	0.016	0.000	0.000	0.000	0.000
131	A	146	LEU	0	0.004	-0.012	18.995	-0.016	-0.016	0.000	0.000	0.000	0.000
132	A	147	LYS	1	0.886	0.954	18.962	-0.069	-0.069	0.000	0.000	0.000	0.000
133	A	148	GLU	-1	-0.981	-0.990	20.418	0.188	0.188	0.000	0.000	0.000	0.000
134	A	156	GLY	0	0.022	0.003	22.117	0.004	0.004	0.000	0.000	0.000	0.000
135	A	157	LEU	0	0.014	-0.002	21.277	0.001	0.001	0.000	0.000	0.000	0.000
136	A	158	SER	0	0.005	0.028	24.004	-0.020	-0.020	0.000	0.000	0.000	0.000
137	A	159	GLU	-1	-0.799	-0.883	19.496	0.145	0.145	0.000	0.000	0.000	0.000
138	A	160	MET	0	-0.019	-0.003	23.867	-0.016	-0.016	0.000	0.000	0.000	0.000
139	A	161	TYR	0	-0.057	-0.045	17.161	-0.013	-0.013	0.000	0.000	0.000	0.000
140	A	162	VAL	0	0.023	-0.004	22.098	-0.007	-0.007	0.000	0.000	0.000	0.000
141	A	163	PRO	0	0.002	0.017	22.387	-0.017	-0.017	0.000	0.000	0.000	0.000
142	A	164	PHE	0	0.036	0.019	21.202	0.034	0.034	0.000	0.000	0.000	0.000
143	A	165	ASN	0	0.017	-0.006	23.127	0.045	0.045	0.000	0.000	0.000	0.000
144	A	166	MET	0	-0.052	0.000	26.175	0.020	0.020	0.000	0.000	0.000	0.000
145	A	167	LEU	0	-0.039	-0.029	23.921	0.027	0.027	0.000	0.000	0.000	0.000
146	A	168	LYS	1	0.890	0.935	27.098	0.289	0.289	0.000	0.000	0.000	0.000
147	A	169	THR	0	-0.030	-0.015	29.530	0.017	0.017	0.000	0.000	0.000	0.000
148	A	170	SER	0	-0.062	-0.020	31.021	0.015	0.015	0.000	0.000	0.000	0.000
149	A	171	PHE	0	-0.053	-0.043	29.484	0.014	0.014	0.000	0.000	0.000	0.000
150	A	172	GLY	0	0.029	0.038	31.728	0.012	0.012	0.000	0.000	0.000	0.000
151	A	173	THR	0	-0.099	-0.060	25.606	0.014	0.014	0.000	0.000	0.000	0.000
152	A	174	ASN	0	-0.001	-0.025	27.260	-0.033	-0.033	0.000	0.000	0.000	0.000
153	A	175	ASP	-1	-0.823	-0.882	23.500	-0.176	-0.176	0.000	0.000	0.000	0.000
154	A	176	TYR	0	-0.056	-0.047	18.707	-0.003	-0.003	0.000	0.000	0.000	0.000
155	A	177	SER	0	0.035	-0.003	19.689	-0.004	-0.004	0.000	0.000	0.000	0.000
156	A	178	ASN	0	-0.006	0.010	15.267	0.005	0.005	0.000	0.000	0.000	0.000
157	A	179	VAL	0	0.076	0.030	12.900	-0.106	-0.106	0.000	0.000	0.000	0.000
158	A	180	SER	0	-0.034	-0.011	8.251	0.338	0.338	0.000	0.000	0.000	0.000
159	A	181	VAL	0	0.028	0.028	7.194	-0.168	-0.168	0.000	0.000	0.000	0.000
160	A	182	GLN	0	-0.024	-0.022	3.277	0.205	0.684	0.029	-0.118	-0.389	0.000
161	A	183	THR	0	0.014	-0.004	2.595	-4.706	-2.108	0.823	-1.320	-2.101	-0.013
162	A	184	GLU	-1	-0.938	-0.970	3.083	-10.966	-9.141	0.149	-1.024	-0.950	-0.009
163	A	185	SER	0	-0.041	-0.027	2.577	-3.609	-2.678	1.215	-0.919	-1.227	-0.002
164	A	186	ALA	0	0.042	0.021	2.541	-0.431	1.042	2.945	-0.849	-3.569	0.014
165	A	187	ASP	-1	-0.940	-0.967	3.390	0.696	0.370	0.205	0.577	-0.456	0.005
166	A	188	GLN	0	0.005	-0.006	5.854	-1.163	-1.163	0.000	0.000	0.000	0.000
167	A	189	ILE	0	-0.014	0.017	2.461	-0.564	-0.134	0.701	-0.324	-0.808	-0.003
168	A	190	LYS	1	0.954	0.970	6.162	-1.771	-1.771	0.000	0.000	0.000	0.000
169	A	191	SER	0	0.037	0.017	9.652	0.016	0.016	0.000	0.000	0.000	0.000
170	A	192	THR	0	0.055	0.016	7.778	-0.081	-0.081	0.000	0.000	0.000	0.000
171	A	193	GLY	0	-0.013	-0.010	9.076	0.018	0.018	0.000	0.000	0.000	0.000
172	A	194	LYS	1	0.922	0.961	10.137	0.052	0.052	0.000	0.000	0.000	0.000
173	A	195	GLU	-1	-0.920	-0.970	13.287	-0.709	-0.709	0.000	0.000	0.000	0.000
174	A	196	ALA	0	0.021	0.009	11.769	0.024	0.024	0.000	0.000	0.000	0.000
175	A	197	ALA	0	0.013	0.002	13.750	0.062	0.062	0.000	0.000	0.000	0.000
176	A	198	ARG	1	0.817	0.914	15.760	0.210	0.210	0.000	0.000	0.000	0.000
177	A	199	LEU	0	0.034	0.028	16.552	0.018	0.018	0.000	0.000	0.000	0.000
178	A	200	LEU	0	-0.006	0.002	15.636	0.027	0.027	0.000	0.000	0.000	0.000
179	A	201	ASN	0	-0.001	-0.005	19.295	0.043	0.043	0.000	0.000	0.000	0.000
180	A	202	ASP	-1	-0.839	-0.919	21.699	-0.200	-0.200	0.000	0.000	0.000	0.000
181	A	203	ASN	0	-0.077	-0.042	20.635	0.010	0.010	0.000	0.000	0.000	0.000
182	A	204	HIS	1	0.765	0.859	22.101	0.189	0.189	0.000	0.000	0.000	0.000
183	A	205	GLY	0	-0.033	0.007	25.485	0.020	0.020	0.000	0.000	0.000	0.000
184	A	206	THR	0	-0.040	-0.023	23.434	0.013	0.013	0.000	0.000	0.000	0.000
185	A	207	LYS	1	0.801	0.895	24.903	-0.070	-0.070	0.000	0.000	0.000	0.000
186	A	208	GLU	-1	-0.965	-1.007	21.669	0.087	0.087	0.000	0.000	0.000	0.000
187	A	209	ALA	0	0.022	0.025	21.485	0.041	0.041	0.000	0.000	0.000	0.000
188	A	210	TYR	0	-0.045	-0.040	17.569	0.045	0.045	0.000	0.000	0.000	0.000
189	A	211	GLN	0	-0.051	-0.023	16.075	0.059	0.059	0.000	0.000	0.000	0.000
190	A	212	VAL	0	0.018	0.015	10.401	0.007	0.007	0.000	0.000	0.000	0.000
191	A	213	MET	0	-0.005	-0.007	10.161	-0.033	-0.033	0.000	0.000	0.000	0.000
192	A	214	ASN	0	-0.023	-0.009	11.880	0.137	0.137	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:16:ASN)