FMO DATABASE

FMODB ID: 43MZN

Calculation Name: 2IZW-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2IZW

Chain ID: A

ChEMBL ID:

UniProt ID: Q9E962

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	178
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1765560.930935
FMO2-HF: Nuclear repulsion	1697876.953311
FMO2-HF: Total energy	-67683.977625
FMO2-MP2: Total energy	-67883.122314

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:58:GLN)

Summations of interaction energy for fragment #1(A:58:GLN)

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.
-29.861	-22.044	0.898	-4.003	-4.71	-0.034

Interaction energy analysis for fragmet #1(A:58:GLN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.004 / q_NPA : -0.016

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	60	GLY	0	0.021	0.010	2.678	-4.898	-2.030	0.552	-1.476	-1.943	-0.008
4	A	61	ASP	-1	-0.876	-0.929	2.965	-28.769	-23.956	0.347	-2.523	-2.637	-0.026
5	A	62	ILE	0	-0.054	-0.028	5.302	1.966	2.102	-0.001	-0.004	-0.130	0.000
6	A	63	THR	0	-0.024	-0.008	7.760	0.507	0.507	0.000	0.000	0.000	0.000
7	A	64	PRO	0	-0.037	0.001	10.645	0.182	0.182	0.000	0.000	0.000	0.000
8	A	65	ALA	0	0.021	0.006	13.436	0.113	0.113	0.000	0.000	0.000	0.000
9	A	66	LYS	1	0.920	0.950	16.969	0.355	0.355	0.000	0.000	0.000	0.000
10	A	67	ASN	0	-0.015	0.009	19.437	0.077	0.077	0.000	0.000	0.000	0.000
11	A	68	SER	0	-0.011	-0.003	23.116	0.003	0.003	0.000	0.000	0.000	0.000
12	A	69	GLY	0	0.026	0.011	26.476	-0.019	-0.019	0.000	0.000	0.000	0.000
13	A	70	SER	0	0.010	-0.018	29.510	0.016	0.016	0.000	0.000	0.000	0.000
14	A	71	LEU	0	-0.033	0.000	28.940	-0.012	-0.012	0.000	0.000	0.000	0.000
15	A	72	VAL	0	0.080	0.031	32.437	0.001	0.001	0.000	0.000	0.000	0.000
16	A	73	ARG	1	0.884	0.949	36.100	0.209	0.209	0.000	0.000	0.000	0.000
17	A	74	VAL	0	0.032	0.012	39.488	-0.001	-0.001	0.000	0.000	0.000	0.000
18	A	75	THR	0	-0.019	-0.020	41.950	0.012	0.012	0.000	0.000	0.000	0.000
19	A	76	SER	0	-0.081	-0.048	45.570	-0.004	-0.004	0.000	0.000	0.000	0.000
20	A	77	SER	0	0.080	0.045	48.611	-0.003	-0.003	0.000	0.000	0.000	0.000
21	A	78	ALA	0	0.025	0.002	50.567	0.005	0.005	0.000	0.000	0.000	0.000
22	A	79	THR	0	-0.027	-0.006	53.700	0.008	0.008	0.000	0.000	0.000	0.000
23	A	80	ALA	0	0.035	0.006	54.071	-0.004	-0.004	0.000	0.000	0.000	0.000
24	A	81	GLY	0	-0.024	-0.018	53.370	0.002	0.002	0.000	0.000	0.000	0.000
25	A	82	THR	0	-0.038	-0.013	51.077	-0.002	-0.002	0.000	0.000	0.000	0.000
26	A	83	GLU	-1	-0.874	-0.964	46.781	-0.165	-0.165	0.000	0.000	0.000	0.000
27	A	84	VAL	0	-0.061	-0.012	44.398	-0.001	-0.001	0.000	0.000	0.000	0.000
28	A	85	SER	0	-0.013	-0.014	42.204	-0.004	-0.004	0.000	0.000	0.000	0.000
29	A	86	GLY	0	0.030	-0.005	39.494	0.001	0.001	0.000	0.000	0.000	0.000
30	A	87	THR	0	-0.046	-0.022	34.962	-0.006	-0.006	0.000	0.000	0.000	0.000
31	A	88	VAL	0	0.013	0.014	30.553	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	89	LEU	0	0.034	0.019	28.939	-0.012	-0.012	0.000	0.000	0.000	0.000
33	A	90	PHE	0	0.007	0.006	21.956	-0.005	-0.005	0.000	0.000	0.000	0.000
34	A	91	ASN	0	0.049	0.007	23.194	-0.071	-0.071	0.000	0.000	0.000	0.000
35	A	92	VAL	0	-0.009	-0.002	18.876	0.038	0.038	0.000	0.000	0.000	0.000
36	A	93	ARG	1	0.857	0.943	22.040	0.815	0.815	0.000	0.000	0.000	0.000
37	A	94	ASN	0	0.001	0.021	25.011	0.054	0.054	0.000	0.000	0.000	0.000
38	A	95	ALA	0	0.030	-0.003	28.120	0.017	0.017	0.000	0.000	0.000	0.000
39	A	96	THR	0	-0.017	-0.008	29.359	0.021	0.021	0.000	0.000	0.000	0.000
40	A	97	GLU	-1	-0.846	-0.927	31.024	-0.348	-0.348	0.000	0.000	0.000	0.000
41	A	98	LEU	0	-0.068	-0.018	25.420	0.007	0.007	0.000	0.000	0.000	0.000
42	A	99	PRO	0	0.023	0.018	26.301	-0.052	-0.052	0.000	0.000	0.000	0.000
43	A	100	TRP	0	0.012	-0.006	19.535	-0.055	-0.055	0.000	0.000	0.000	0.000
44	A	101	LEU	0	0.018	0.008	20.347	-0.045	-0.045	0.000	0.000	0.000	0.000
45	A	102	SER	0	0.064	0.028	21.542	-0.085	-0.085	0.000	0.000	0.000	0.000
46	A	103	GLY	0	-0.055	-0.010	22.412	-0.040	-0.040	0.000	0.000	0.000	0.000
47	A	104	GLN	0	-0.019	-0.005	16.861	-0.056	-0.056	0.000	0.000	0.000	0.000
48	A	105	GLY	0	0.057	0.005	18.117	-0.123	-0.123	0.000	0.000	0.000	0.000
49	A	106	SER	0	-0.070	-0.030	19.254	-0.084	-0.084	0.000	0.000	0.000	0.000
50	A	107	ARG	1	0.913	0.964	15.989	0.873	0.873	0.000	0.000	0.000	0.000
51	A	108	TYR	0	-0.013	0.002	10.817	-0.018	-0.018	0.000	0.000	0.000	0.000
52	A	109	SER	0	0.044	0.026	14.210	0.271	0.271	0.000	0.000	0.000	0.000
53	A	110	LYS	1	0.894	0.959	13.373	2.419	2.419	0.000	0.000	0.000	0.000
54	A	111	TYR	0	-0.058	-0.069	14.349	-0.143	-0.143	0.000	0.000	0.000	0.000
55	A	112	ARG	1	0.940	0.991	10.024	1.680	1.680	0.000	0.000	0.000	0.000
56	A	113	VAL	0	-0.009	0.002	16.018	-0.043	-0.043	0.000	0.000	0.000	0.000
57	A	114	ARG	1	0.905	0.978	12.437	0.706	0.706	0.000	0.000	0.000	0.000
58	A	115	TYR	0	0.002	-0.025	17.214	0.093	0.093	0.000	0.000	0.000	0.000
59	A	116	ALA	0	0.032	0.016	20.810	-0.029	-0.029	0.000	0.000	0.000	0.000
60	A	117	HIS	1	0.801	0.888	23.936	0.348	0.348	0.000	0.000	0.000	0.000
61	A	118	PHE	0	0.062	0.026	26.349	-0.006	-0.006	0.000	0.000	0.000	0.000
62	A	119	THR	0	-0.011	-0.012	30.560	0.012	0.012	0.000	0.000	0.000	0.000
63	A	120	TRP	0	-0.013	-0.011	33.920	-0.017	-0.017	0.000	0.000	0.000	0.000
64	A	121	GLU	-1	-0.917	-0.960	36.794	-0.155	-0.155	0.000	0.000	0.000	0.000
65	A	122	PRO	0	-0.043	-0.007	38.602	-0.003	-0.003	0.000	0.000	0.000	0.000
66	A	123	ILE	0	0.002	0.017	41.721	0.000	0.000	0.000	0.000	0.000	0.000
67	A	124	VAL	0	-0.049	-0.010	44.562	0.007	0.007	0.000	0.000	0.000	0.000
68	A	125	GLY	0	0.052	0.032	47.506	0.001	0.001	0.000	0.000	0.000	0.000
69	A	126	SER	0	0.013	-0.035	49.628	-0.003	-0.003	0.000	0.000	0.000	0.000
70	A	127	ASN	0	-0.027	-0.011	50.503	-0.002	-0.002	0.000	0.000	0.000	0.000
71	A	128	THR	0	-0.046	-0.008	49.922	-0.002	-0.002	0.000	0.000	0.000	0.000
72	A	129	ASN	0	0.051	0.021	51.488	0.000	0.000	0.000	0.000	0.000	0.000
73	A	130	GLY	0	0.046	-0.005	49.726	-0.003	-0.003	0.000	0.000	0.000	0.000
74	A	131	GLU	-1	-0.981	-1.004	46.024	-0.135	-0.135	0.000	0.000	0.000	0.000
75	A	132	VAL	0	0.019	0.008	41.078	-0.006	-0.006	0.000	0.000	0.000	0.000
76	A	133	ALA	0	0.026	0.003	40.289	0.005	0.005	0.000	0.000	0.000	0.000
77	A	134	MET	0	-0.052	-0.025	33.398	-0.006	-0.006	0.000	0.000	0.000	0.000
78	A	135	ALA	0	0.012	0.017	34.629	0.011	0.011	0.000	0.000	0.000	0.000
79	A	136	MET	0	-0.046	-0.014	26.684	-0.013	-0.013	0.000	0.000	0.000	0.000
80	A	137	LEU	0	-0.008	0.008	31.564	0.014	0.014	0.000	0.000	0.000	0.000
81	A	138	TYR	0	-0.032	-0.045	26.589	-0.008	-0.008	0.000	0.000	0.000	0.000
82	A	139	ASP	-1	-0.769	-0.892	29.898	-0.400	-0.400	0.000	0.000	0.000	0.000
83	A	140	VAL	0	-0.080	-0.033	29.751	0.017	0.017	0.000	0.000	0.000	0.000
84	A	141	ALA	0	-0.051	-0.014	32.343	0.015	0.015	0.000	0.000	0.000	0.000
85	A	142	ASP	-1	-0.892	-0.937	35.527	-0.290	-0.290	0.000	0.000	0.000	0.000
86	A	143	VAL	0	-0.028	-0.020	36.413	-0.005	-0.005	0.000	0.000	0.000	0.000
87	A	144	THR	0	0.000	-0.005	38.735	0.010	0.010	0.000	0.000	0.000	0.000
88	A	145	SER	0	-0.046	-0.035	41.971	0.001	0.001	0.000	0.000	0.000	0.000
89	A	146	ILE	0	0.051	0.045	38.519	0.005	0.005	0.000	0.000	0.000	0.000
90	A	147	THR	0	0.006	-0.002	42.568	0.005	0.005	0.000	0.000	0.000	0.000
91	A	148	ILE	0	0.067	0.026	43.432	-0.008	-0.008	0.000	0.000	0.000	0.000
92	A	149	GLU	-1	-0.915	-0.962	43.459	-0.142	-0.142	0.000	0.000	0.000	0.000
93	A	150	ARG	1	0.872	0.937	42.838	0.180	0.180	0.000	0.000	0.000	0.000
94	A	151	LEU	0	-0.042	-0.001	37.993	-0.009	-0.009	0.000	0.000	0.000	0.000
95	A	152	MET	0	-0.038	-0.025	39.131	-0.006	-0.006	0.000	0.000	0.000	0.000
96	A	153	GLN	0	-0.082	-0.016	40.918	-0.001	-0.001	0.000	0.000	0.000	0.000
97	A	154	THR	0	0.023	0.020	35.380	-0.009	-0.009	0.000	0.000	0.000	0.000
98	A	155	ARG	1	0.894	0.917	28.223	0.330	0.330	0.000	0.000	0.000	0.000
99	A	156	GLY	0	-0.025	-0.026	32.711	-0.013	-0.013	0.000	0.000	0.000	0.000
100	A	157	GLY	0	0.049	0.028	33.595	0.000	0.000	0.000	0.000	0.000	0.000
101	A	158	THR	0	-0.093	-0.040	35.272	0.011	0.011	0.000	0.000	0.000	0.000
102	A	159	TRP	0	0.036	0.005	37.727	-0.007	-0.007	0.000	0.000	0.000	0.000
103	A	160	GLY	0	-0.013	0.000	41.067	0.004	0.004	0.000	0.000	0.000	0.000
104	A	161	PRO	0	0.032	0.009	43.791	-0.005	-0.005	0.000	0.000	0.000	0.000
105	A	162	ILE	0	0.012	0.035	44.622	-0.003	-0.003	0.000	0.000	0.000	0.000
106	A	163	TRP	0	0.023	0.038	44.476	-0.005	-0.005	0.000	0.000	0.000	0.000
107	A	164	SER	0	-0.018	-0.007	42.723	0.006	0.006	0.000	0.000	0.000	0.000
108	A	165	PRO	0	0.015	0.011	39.024	-0.009	-0.009	0.000	0.000	0.000	0.000
109	A	166	THR	0	-0.019	0.005	36.255	0.002	0.002	0.000	0.000	0.000	0.000
110	A	167	ARG	1	0.978	0.990	37.249	0.107	0.107	0.000	0.000	0.000	0.000
111	A	168	LYS	1	0.902	0.976	33.816	0.202	0.202	0.000	0.000	0.000	0.000
112	A	169	ARG	1	1.009	0.984	27.270	0.224	0.224	0.000	0.000	0.000	0.000
113	A	170	LEU	0	-0.001	0.038	30.450	0.003	0.003	0.000	0.000	0.000	0.000
114	A	171	SER	0	-0.040	-0.035	26.379	-0.011	-0.011	0.000	0.000	0.000	0.000
115	A	172	TYR	0	0.056	0.027	20.463	-0.003	-0.003	0.000	0.000	0.000	0.000
116	A	173	ASP	-1	-0.796	-0.867	24.243	-0.390	-0.390	0.000	0.000	0.000	0.000
117	A	174	PRO	0	0.007	0.000	19.014	-0.019	-0.019	0.000	0.000	0.000	0.000
118	A	175	GLU	-1	-0.930	-0.969	20.461	-0.395	-0.395	0.000	0.000	0.000	0.000
119	A	176	HIS	1	0.794	0.874	21.869	0.372	0.372	0.000	0.000	0.000	0.000
120	A	177	ALA	0	0.011	0.032	19.913	0.009	0.009	0.000	0.000	0.000	0.000
121	A	178	SER	0	-0.016	-0.009	21.969	0.012	0.012	0.000	0.000	0.000	0.000
122	A	179	LEU	0	-0.011	-0.010	19.229	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	180	PRO	0	-0.048	-0.005	14.868	-0.021	-0.021	0.000	0.000	0.000	0.000
124	A	181	TRP	0	-0.025	-0.028	9.795	-0.134	-0.134	0.000	0.000	0.000	0.000
125	A	182	TYR	0	0.057	0.035	16.022	0.060	0.060	0.000	0.000	0.000	0.000
126	A	183	LEU	0	0.005	-0.010	17.902	-0.157	-0.157	0.000	0.000	0.000	0.000
127	A	184	SER	0	-0.017	-0.013	18.683	0.163	0.163	0.000	0.000	0.000	0.000
128	A	185	GLY	0	0.018	-0.002	20.412	-0.009	-0.009	0.000	0.000	0.000	0.000
129	A	186	VAL	0	-0.011	-0.017	23.528	0.024	0.024	0.000	0.000	0.000	0.000
130	A	187	SER	0	-0.021	0.005	26.997	0.049	0.049	0.000	0.000	0.000	0.000
131	A	188	SER	0	0.027	0.017	28.990	-0.005	-0.005	0.000	0.000	0.000	0.000
132	A	189	GLY	0	0.030	0.003	32.178	-0.007	-0.007	0.000	0.000	0.000	0.000
133	A	190	ALA	0	0.046	0.020	32.159	-0.019	-0.019	0.000	0.000	0.000	0.000
134	A	191	ALA	0	0.030	0.011	30.154	-0.023	-0.023	0.000	0.000	0.000	0.000
135	A	192	ALA	0	0.010	-0.002	27.991	-0.035	-0.035	0.000	0.000	0.000	0.000
136	A	193	GLY	0	0.047	0.029	27.168	-0.045	-0.045	0.000	0.000	0.000	0.000
137	A	194	ASN	0	0.033	0.002	27.131	-0.030	-0.030	0.000	0.000	0.000	0.000
138	A	195	ILE	0	-0.017	-0.001	22.751	-0.034	-0.034	0.000	0.000	0.000	0.000
139	A	196	GLN	0	-0.016	-0.004	22.500	-0.097	-0.097	0.000	0.000	0.000	0.000
140	A	197	THR	0	-0.054	-0.002	23.237	-0.035	-0.035	0.000	0.000	0.000	0.000
141	A	198	PRO	0	-0.027	0.003	21.722	0.032	0.032	0.000	0.000	0.000	0.000
142	A	199	PHE	0	-0.012	-0.016	23.267	0.036	0.036	0.000	0.000	0.000	0.000
143	A	200	GLN	0	0.010	-0.014	27.163	-0.043	-0.043	0.000	0.000	0.000	0.000
144	A	201	ILE	0	-0.051	-0.011	29.217	0.017	0.017	0.000	0.000	0.000	0.000
145	A	202	ALA	0	0.040	0.037	32.362	0.004	0.004	0.000	0.000	0.000	0.000
146	A	203	TRP	0	-0.018	-0.021	35.981	0.011	0.011	0.000	0.000	0.000	0.000
147	A	204	ALA	0	0.046	0.009	38.547	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	205	ALA	0	-0.027	-0.017	42.322	0.003	0.003	0.000	0.000	0.000	0.000
149	A	206	GLN	0	0.062	0.056	44.775	0.002	0.002	0.000	0.000	0.000	0.000
150	A	207	SER	0	0.064	0.013	48.497	0.003	0.003	0.000	0.000	0.000	0.000
151	A	208	SER	0	0.021	0.026	50.741	0.000	0.000	0.000	0.000	0.000	0.000
152	A	209	LEU	0	-0.046	-0.018	50.912	0.004	0.004	0.000	0.000	0.000	0.000
153	A	210	VAL	0	0.041	0.038	52.993	-0.004	-0.004	0.000	0.000	0.000	0.000
154	A	211	SER	0	-0.032	-0.007	50.593	0.000	0.000	0.000	0.000	0.000	0.000
155	A	212	THR	0	0.041	0.027	49.953	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	213	THR	0	-0.020	-0.034	43.545	-0.005	-0.005	0.000	0.000	0.000	0.000
157	A	214	LEU	0	0.003	0.002	44.690	0.005	0.005	0.000	0.000	0.000	0.000
158	A	215	GLY	0	0.072	0.008	41.717	0.007	0.007	0.000	0.000	0.000	0.000
159	A	216	ARG	1	0.871	0.938	36.737	0.201	0.201	0.000	0.000	0.000	0.000
160	A	217	ILE	0	0.054	0.044	33.066	0.007	0.007	0.000	0.000	0.000	0.000
161	A	218	MET	0	-0.047	-0.012	31.939	-0.019	-0.019	0.000	0.000	0.000	0.000
162	A	219	ALA	0	0.041	0.014	27.316	-0.007	-0.007	0.000	0.000	0.000	0.000
163	A	220	GLU	-1	-0.932	-0.961	25.688	-0.256	-0.256	0.000	0.000	0.000	0.000
164	A	221	TYR	0	0.003	-0.014	20.688	-0.016	-0.016	0.000	0.000	0.000	0.000
165	A	222	LEU	0	-0.014	-0.008	14.941	0.024	0.024	0.000	0.000	0.000	0.000
166	A	223	VAL	0	-0.013	-0.014	16.445	0.010	0.010	0.000	0.000	0.000	0.000
167	A	224	GLU	-1	-0.827	-0.922	10.931	-1.410	-1.410	0.000	0.000	0.000	0.000
168	A	225	LEU	0	0.009	-0.008	12.669	0.097	0.097	0.000	0.000	0.000	0.000
169	A	226	THR	0	0.011	-0.001	8.601	-0.275	-0.275	0.000	0.000	0.000	0.000
170	A	227	ASP	-1	-0.847	-0.925	9.383	-3.106	-3.106	0.000	0.000	0.000	0.000
171	A	228	PRO	0	0.021	0.004	9.153	0.541	0.541	0.000	0.000	0.000	0.000
172	A	229	VAL	0	-0.050	-0.029	12.285	-0.017	-0.017	0.000	0.000	0.000	0.000
173	A	230	ASP	-1	-0.847	-0.933	15.555	-0.657	-0.657	0.000	0.000	0.000	0.000
174	A	231	VAL	0	-0.018	-0.035	18.398	0.007	0.007	0.000	0.000	0.000	0.000
175	A	232	THR	0	-0.002	0.012	21.012	0.033	0.033	0.000	0.000	0.000	0.000
176	A	233	ILE	0	-0.043	-0.003	19.506	0.020	0.020	0.000	0.000	0.000	0.000
177	A	234	ASN	0	-0.052	-0.025	19.153	0.044	0.044	0.000	0.000	0.000	0.000
178	A	235	GLN	0	-0.006	0.003	21.254	0.030	0.030	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:58:GLN)