FMO DATABASE

FMODB ID: ZVLLN

Calculation Name: 1EX6-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1EX6

Chain ID: A

ChEMBL ID:

UniProt ID: P15454

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	186
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-1889366.563103
FMO2-HF: Nuclear repulsion	1818111.549131
FMO2-HF: Total energy	-71255.013972
FMO2-MP2: Total energy	-71465.780187

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:1:SER)

Summations of interaction energy for fragment #1(A:1: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.
-23.356	-13.704	4.287	-6.155	-7.783	-0.031

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.034 / q_NPA : 0.025

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	3	PRO	0	0.016	0.015	3.515	-0.471	2.016	0.025	-1.291	-1.221	0.007
4	A	4	ILE	0	0.021	-0.005	4.424	0.289	0.465	-0.001	-0.015	-0.160	0.000
5	A	5	VAL	0	-0.024	-0.010	7.109	-0.501	-0.501	0.000	0.000	0.000	0.000
6	A	6	ILE	0	-0.003	0.002	10.871	-0.018	-0.018	0.000	0.000	0.000	0.000
7	A	7	SER	0	0.025	0.010	12.836	-0.073	-0.073	0.000	0.000	0.000	0.000
8	A	8	GLY	0	0.027	0.015	16.573	0.002	0.002	0.000	0.000	0.000	0.000
9	A	9	PRO	0	0.050	0.035	19.959	-0.009	-0.009	0.000	0.000	0.000	0.000
10	A	10	SER	0	-0.039	-0.002	22.688	0.002	0.002	0.000	0.000	0.000	0.000
11	A	11	GLY	0	0.038	0.010	23.908	-0.016	-0.016	0.000	0.000	0.000	0.000
12	A	12	THR	0	0.013	-0.036	22.046	-0.010	-0.010	0.000	0.000	0.000	0.000
13	A	13	GLY	0	0.000	0.001	22.141	-0.005	-0.005	0.000	0.000	0.000	0.000
14	A	14	LYS	1	0.923	0.966	16.346	-0.414	-0.414	0.000	0.000	0.000	0.000
15	A	15	SER	0	0.049	0.029	17.298	0.030	0.030	0.000	0.000	0.000	0.000
16	A	16	THR	0	-0.009	-0.021	18.478	0.007	0.007	0.000	0.000	0.000	0.000
17	A	17	LEU	0	0.062	0.033	15.769	-0.016	-0.016	0.000	0.000	0.000	0.000
18	A	18	LEU	0	0.061	0.035	12.016	0.004	0.004	0.000	0.000	0.000	0.000
19	A	19	LYS	1	0.918	0.968	14.503	-0.199	-0.199	0.000	0.000	0.000	0.000
20	A	20	LYS	1	0.864	0.928	17.099	-0.193	-0.193	0.000	0.000	0.000	0.000
21	A	21	LEU	0	0.027	0.041	9.312	-0.039	-0.039	0.000	0.000	0.000	0.000
22	A	22	PHE	0	0.007	-0.013	10.853	-0.001	-0.001	0.000	0.000	0.000	0.000
23	A	23	ALA	0	-0.053	-0.009	13.748	-0.034	-0.034	0.000	0.000	0.000	0.000
24	A	24	GLU	-1	-0.810	-0.845	14.648	0.074	0.074	0.000	0.000	0.000	0.000
25	A	25	TYR	0	-0.010	-0.023	10.528	-0.042	-0.042	0.000	0.000	0.000	0.000
26	A	26	PRO	0	0.022	0.021	11.745	0.100	0.100	0.000	0.000	0.000	0.000
27	A	27	ASP	-1	-0.911	-0.953	11.889	0.067	0.067	0.000	0.000	0.000	0.000
28	A	28	SER	0	-0.014	-0.020	7.158	-0.054	-0.054	0.000	0.000	0.000	0.000
29	A	29	PHE	0	0.007	0.015	5.185	0.601	0.601	0.000	0.000	0.000	0.000
30	A	30	GLY	0	0.029	0.004	8.419	-0.233	-0.233	0.000	0.000	0.000	0.000
31	A	31	PHE	0	0.038	0.047	9.671	0.141	0.141	0.000	0.000	0.000	0.000
32	A	32	SER	0	-0.035	-0.022	12.372	-0.065	-0.065	0.000	0.000	0.000	0.000
33	A	33	VAL	0	0.000	-0.002	13.168	-0.008	-0.008	0.000	0.000	0.000	0.000
34	A	34	SER	0	0.029	0.009	16.010	-0.009	-0.009	0.000	0.000	0.000	0.000
35	A	35	SER	0	-0.016	0.000	18.872	-0.032	-0.032	0.000	0.000	0.000	0.000
36	A	36	THR	0	-0.020	-0.014	21.735	0.010	0.010	0.000	0.000	0.000	0.000
37	A	37	THR	0	0.013	0.039	25.382	-0.007	-0.007	0.000	0.000	0.000	0.000
38	A	38	ARG	1	0.753	0.881	26.573	-0.106	-0.106	0.000	0.000	0.000	0.000
39	A	39	THR	0	0.026	0.002	29.303	-0.001	-0.001	0.000	0.000	0.000	0.000
40	A	40	PRO	0	0.028	0.020	28.779	0.005	0.005	0.000	0.000	0.000	0.000
41	A	41	ARG	1	0.966	0.976	29.444	-0.069	-0.069	0.000	0.000	0.000	0.000
42	A	42	ALA	0	-0.042	-0.019	30.821	-0.004	-0.004	0.000	0.000	0.000	0.000
43	A	43	GLY	0	0.017	0.006	29.675	0.003	0.003	0.000	0.000	0.000	0.000
44	A	44	GLU	-1	-0.840	-0.901	26.136	0.097	0.097	0.000	0.000	0.000	0.000
45	A	45	VAL	0	-0.024	-0.032	23.271	-0.010	-0.010	0.000	0.000	0.000	0.000
46	A	46	ASN	0	0.055	0.015	22.789	0.013	0.013	0.000	0.000	0.000	0.000
47	A	47	GLY	0	-0.015	0.016	19.470	-0.011	-0.011	0.000	0.000	0.000	0.000
48	A	48	LYS	1	0.896	0.943	17.998	-0.077	-0.077	0.000	0.000	0.000	0.000
49	A	49	ASP	-1	-0.888	-0.935	19.123	0.108	0.108	0.000	0.000	0.000	0.000
50	A	50	TYR	0	0.022	-0.012	20.852	0.022	0.022	0.000	0.000	0.000	0.000
51	A	51	ASN	0	-0.015	0.010	17.517	-0.037	-0.037	0.000	0.000	0.000	0.000
52	A	52	PHE	0	-0.064	-0.038	21.689	0.012	0.012	0.000	0.000	0.000	0.000
53	A	53	VAL	0	0.032	0.017	24.199	-0.007	-0.007	0.000	0.000	0.000	0.000
54	A	54	SER	0	-0.018	-0.086	26.944	0.002	0.002	0.000	0.000	0.000	0.000
55	A	55	VAL	0	0.007	-0.018	29.497	0.005	0.005	0.000	0.000	0.000	0.000
56	A	56	ASP	-1	-0.882	-0.941	31.107	0.058	0.058	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.812	-0.840	26.904	0.047	0.047	0.000	0.000	0.000	0.000
58	A	58	PHE	0	0.011	-0.006	23.941	0.003	0.003	0.000	0.000	0.000	0.000
59	A	59	LYS	1	0.977	0.982	26.783	-0.075	-0.075	0.000	0.000	0.000	0.000
60	A	60	SER	0	-0.129	-0.063	28.015	0.001	0.001	0.000	0.000	0.000	0.000
61	A	61	MET	0	0.062	0.041	21.443	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	62	ILE	0	-0.099	-0.034	24.097	0.011	0.011	0.000	0.000	0.000	0.000
63	A	63	LYS	1	0.916	0.966	26.045	-0.056	-0.056	0.000	0.000	0.000	0.000
64	A	64	ASN	0	-0.034	-0.012	24.622	0.001	0.001	0.000	0.000	0.000	0.000
65	A	65	ASN	0	-0.028	-0.012	22.518	0.009	0.009	0.000	0.000	0.000	0.000
66	A	66	GLU	-1	-0.867	-0.942	19.944	0.088	0.088	0.000	0.000	0.000	0.000
67	A	67	PHE	0	-0.075	-0.048	18.654	0.011	0.011	0.000	0.000	0.000	0.000
68	A	68	ILE	0	-0.026	-0.007	13.653	0.010	0.010	0.000	0.000	0.000	0.000
69	A	69	GLU	-1	-0.847	-0.882	18.138	0.336	0.336	0.000	0.000	0.000	0.000
70	A	70	TRP	0	0.031	0.013	20.680	-0.019	-0.019	0.000	0.000	0.000	0.000
71	A	71	ALA	0	-0.022	-0.005	23.612	0.000	0.000	0.000	0.000	0.000	0.000
72	A	72	GLN	0	0.001	-0.011	26.765	-0.015	-0.015	0.000	0.000	0.000	0.000
73	A	73	PHE	0	-0.003	-0.004	25.391	0.000	0.000	0.000	0.000	0.000	0.000
74	A	74	SER	0	-0.015	-0.012	30.894	-0.004	-0.004	0.000	0.000	0.000	0.000
75	A	75	GLY	0	0.021	0.023	33.684	-0.006	-0.006	0.000	0.000	0.000	0.000
76	A	76	ASN	0	-0.028	-0.018	30.153	-0.009	-0.009	0.000	0.000	0.000	0.000
77	A	77	TYR	0	-0.005	-0.005	27.309	0.008	0.008	0.000	0.000	0.000	0.000
78	A	78	TYR	0	-0.001	0.002	23.580	-0.008	-0.008	0.000	0.000	0.000	0.000
79	A	79	GLY	0	0.109	0.045	21.360	-0.003	-0.003	0.000	0.000	0.000	0.000
80	A	80	SER	0	-0.042	-0.053	15.934	-0.012	-0.012	0.000	0.000	0.000	0.000
81	A	81	THR	0	0.049	0.022	16.875	0.004	0.004	0.000	0.000	0.000	0.000
82	A	82	VAL	0	0.083	0.025	13.380	0.011	0.011	0.000	0.000	0.000	0.000
83	A	83	ALA	0	0.029	0.015	12.677	-0.020	-0.020	0.000	0.000	0.000	0.000
84	A	84	SER	0	-0.010	-0.005	13.000	-0.062	-0.062	0.000	0.000	0.000	0.000
85	A	85	VAL	0	-0.012	-0.017	9.003	0.012	0.012	0.000	0.000	0.000	0.000
86	A	86	LYS	1	0.936	0.967	8.336	-0.086	-0.086	0.000	0.000	0.000	0.000
87	A	87	GLN	0	0.032	0.014	8.088	-0.256	-0.256	0.000	0.000	0.000	0.000
88	A	88	VAL	0	-0.025	-0.006	7.053	-0.119	-0.119	0.000	0.000	0.000	0.000
89	A	89	SER	0	0.056	0.015	3.822	0.246	0.360	-0.001	-0.027	-0.086	0.000
90	A	90	LYS	1	0.847	0.952	5.152	-0.268	-0.210	-0.001	0.000	-0.056	0.000
91	A	91	SER	0	-0.066	-0.047	7.937	-0.047	-0.047	0.000	0.000	0.000	0.000
92	A	92	GLY	0	0.004	0.023	5.801	0.066	0.066	0.000	0.000	0.000	0.000
93	A	93	LYS	1	0.856	0.948	5.796	0.024	0.024	0.000	0.000	0.000	0.000
94	A	94	THR	0	0.006	0.003	2.397	-3.760	-2.211	2.045	-1.397	-2.197	-0.006
95	A	95	CYS	0	-0.074	-0.034	4.550	-0.832	-0.708	-0.001	-0.035	-0.088	0.000
96	A	96	ILE	0	-0.011	-0.011	6.681	0.443	0.443	0.000	0.000	0.000	0.000
97	A	97	LEU	0	0.001	-0.018	9.146	-0.222	-0.222	0.000	0.000	0.000	0.000
98	A	98	ASP	-1	-0.884	-0.939	11.998	0.524	0.524	0.000	0.000	0.000	0.000
99	A	99	ILE	0	-0.005	0.004	14.301	-0.063	-0.063	0.000	0.000	0.000	0.000
100	A	100	ASP	-1	-0.825	-0.919	17.361	0.344	0.344	0.000	0.000	0.000	0.000
101	A	101	MET	0	0.015	0.003	19.129	0.035	0.035	0.000	0.000	0.000	0.000
102	A	102	GLN	0	-0.026	-0.029	20.448	0.010	0.010	0.000	0.000	0.000	0.000
103	A	103	GLY	0	0.085	0.055	18.608	-0.007	-0.007	0.000	0.000	0.000	0.000
104	A	104	VAL	0	-0.071	-0.028	15.564	0.034	0.034	0.000	0.000	0.000	0.000
105	A	105	LYS	1	0.923	0.955	16.630	-0.251	-0.251	0.000	0.000	0.000	0.000
106	A	106	SER	0	0.026	0.030	18.921	-0.022	-0.022	0.000	0.000	0.000	0.000
107	A	107	VAL	0	0.003	-0.005	12.459	0.005	0.005	0.000	0.000	0.000	0.000
108	A	108	LYS	1	0.856	0.937	14.837	-0.634	-0.634	0.000	0.000	0.000	0.000
109	A	109	ALA	0	-0.057	-0.013	16.298	-0.025	-0.025	0.000	0.000	0.000	0.000
110	A	110	ILE	0	0.006	0.006	15.214	-0.052	-0.052	0.000	0.000	0.000	0.000
111	A	111	PRO	0	0.037	0.013	14.201	0.087	0.087	0.000	0.000	0.000	0.000
112	A	112	GLU	-1	-0.892	-0.943	13.390	0.293	0.293	0.000	0.000	0.000	0.000
113	A	113	LEU	0	-0.115	-0.064	10.214	-0.066	-0.066	0.000	0.000	0.000	0.000
114	A	114	ASN	0	-0.020	-0.005	7.743	0.267	0.267	0.000	0.000	0.000	0.000
115	A	115	ALA	0	-0.015	0.003	7.396	0.680	0.680	0.000	0.000	0.000	0.000
116	A	116	ARG	1	0.809	0.894	3.559	-4.389	-3.689	0.016	-0.283	-0.432	0.002
117	A	117	PHE	0	-0.008	-0.013	7.929	-0.175	-0.175	0.000	0.000	0.000	0.000
118	A	118	LEU	0	0.008	0.016	10.869	-0.111	-0.111	0.000	0.000	0.000	0.000
119	A	119	PHE	0	0.036	0.018	12.526	-0.053	-0.053	0.000	0.000	0.000	0.000
120	A	120	ILE	0	-0.011	-0.005	14.990	-0.036	-0.036	0.000	0.000	0.000	0.000
121	A	121	ALA	0	0.028	0.010	18.280	-0.020	-0.020	0.000	0.000	0.000	0.000
122	A	122	PRO	0	-0.044	-0.018	21.745	-0.007	-0.007	0.000	0.000	0.000	0.000
123	A	123	PRO	0	0.030	-0.004	25.100	0.001	0.001	0.000	0.000	0.000	0.000
124	A	124	SER	0	0.049	0.020	27.165	-0.006	-0.006	0.000	0.000	0.000	0.000
125	A	125	VAL	0	0.049	0.023	29.723	0.004	0.004	0.000	0.000	0.000	0.000
126	A	126	GLU	-1	-0.914	-0.942	31.137	0.103	0.103	0.000	0.000	0.000	0.000
127	A	127	ASP	-1	-0.787	-0.923	29.803	0.135	0.135	0.000	0.000	0.000	0.000
128	A	128	LEU	0	0.005	0.006	26.667	0.003	0.003	0.000	0.000	0.000	0.000
129	A	129	LYS	1	0.976	0.967	29.615	-0.107	-0.107	0.000	0.000	0.000	0.000
130	A	130	LYS	1	0.934	0.990	32.448	-0.121	-0.121	0.000	0.000	0.000	0.000
131	A	131	ARG	1	0.784	0.888	25.817	-0.171	-0.171	0.000	0.000	0.000	0.000
132	A	132	LEU	0	-0.130	-0.061	28.273	0.002	0.002	0.000	0.000	0.000	0.000
133	A	133	GLU	-1	-0.871	-0.934	31.341	0.103	0.103	0.000	0.000	0.000	0.000
134	A	134	GLY	0	-0.050	-0.008	33.182	-0.007	-0.007	0.000	0.000	0.000	0.000
135	A	135	ARG	1	0.759	0.870	27.732	-0.159	-0.159	0.000	0.000	0.000	0.000
136	A	136	GLY	0	0.070	0.054	32.362	-0.005	-0.005	0.000	0.000	0.000	0.000
137	A	137	THR	0	-0.093	-0.087	32.423	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	138	GLU	-1	-0.845	-0.895	32.570	0.141	0.141	0.000	0.000	0.000	0.000
139	A	139	THR	0	0.030	0.012	35.815	-0.004	-0.004	0.000	0.000	0.000	0.000
140	A	140	GLU	-1	-0.843	-0.916	37.907	0.088	0.088	0.000	0.000	0.000	0.000
141	A	141	GLU	-1	-0.846	-0.937	38.150	0.106	0.106	0.000	0.000	0.000	0.000
142	A	142	SER	0	-0.032	-0.022	34.696	0.009	0.009	0.000	0.000	0.000	0.000
143	A	143	ILE	0	0.041	0.029	33.489	0.011	0.011	0.000	0.000	0.000	0.000
144	A	144	ASN	0	0.043	0.021	33.475	0.011	0.011	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.853	0.920	33.104	-0.112	-0.112	0.000	0.000	0.000	0.000
146	A	146	ARG	1	0.917	0.963	27.612	-0.163	-0.163	0.000	0.000	0.000	0.000
147	A	147	LEU	0	-0.018	0.006	29.500	0.013	0.013	0.000	0.000	0.000	0.000
148	A	148	SER	0	0.015	0.002	31.066	0.005	0.005	0.000	0.000	0.000	0.000
149	A	149	ALA	0	-0.028	-0.013	27.961	0.006	0.006	0.000	0.000	0.000	0.000
150	A	150	ALA	0	0.017	0.017	26.389	0.018	0.018	0.000	0.000	0.000	0.000
151	A	151	GLN	0	0.016	0.012	26.473	0.009	0.009	0.000	0.000	0.000	0.000
152	A	152	ALA	0	0.003	0.004	27.618	0.001	0.001	0.000	0.000	0.000	0.000
153	A	153	GLU	-1	-0.892	-0.970	21.458	0.344	0.344	0.000	0.000	0.000	0.000
154	A	154	LEU	0	-0.035	-0.041	23.268	0.019	0.019	0.000	0.000	0.000	0.000
155	A	155	ALA	0	0.047	0.043	24.715	0.004	0.004	0.000	0.000	0.000	0.000
156	A	156	TYR	0	-0.020	-0.026	18.857	-0.012	-0.012	0.000	0.000	0.000	0.000
157	A	157	ALA	0	-0.046	-0.018	20.466	0.027	0.027	0.000	0.000	0.000	0.000
158	A	158	GLU	-1	-0.897	-0.945	21.260	0.217	0.217	0.000	0.000	0.000	0.000
159	A	159	THR	0	-0.137	-0.068	22.289	-0.008	-0.008	0.000	0.000	0.000	0.000
160	A	160	GLY	0	0.022	0.011	19.736	0.003	0.003	0.000	0.000	0.000	0.000
161	A	161	ALA	0	-0.054	-0.008	17.941	0.041	0.041	0.000	0.000	0.000	0.000
162	A	162	HIS	0	-0.019	-0.037	14.390	0.131	0.131	0.000	0.000	0.000	0.000
163	A	163	ASP	-1	-0.842	-0.901	10.528	1.156	1.156	0.000	0.000	0.000	0.000
164	A	164	LYS	1	0.907	0.950	12.128	-0.464	-0.464	0.000	0.000	0.000	0.000
165	A	165	VAL	0	-0.002	-0.002	13.923	0.033	0.033	0.000	0.000	0.000	0.000
166	A	166	ILE	0	-0.050	-0.029	14.023	-0.033	-0.033	0.000	0.000	0.000	0.000
167	A	167	VAL	0	0.034	0.033	18.089	0.007	0.007	0.000	0.000	0.000	0.000
168	A	168	ASN	0	-0.032	-0.020	21.157	-0.025	-0.025	0.000	0.000	0.000	0.000
169	A	169	ASP	-1	-0.905	-0.964	22.686	0.149	0.149	0.000	0.000	0.000	0.000
170	A	170	ASP	-1	-0.868	-0.947	24.203	0.105	0.105	0.000	0.000	0.000	0.000
171	A	171	LEU	0	0.017	0.005	20.587	0.017	0.017	0.000	0.000	0.000	0.000
172	A	172	ASP	-1	-0.878	-0.927	20.388	0.134	0.134	0.000	0.000	0.000	0.000
173	A	173	LYS	1	0.917	0.968	20.059	-0.157	-0.157	0.000	0.000	0.000	0.000
174	A	174	ALA	0	0.032	0.009	18.758	0.010	0.010	0.000	0.000	0.000	0.000
175	A	175	TYR	0	-0.149	-0.150	14.676	0.054	0.054	0.000	0.000	0.000	0.000
176	A	176	LYS	1	0.891	0.953	15.451	-0.097	-0.097	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.920	-0.976	14.777	0.221	0.221	0.000	0.000	0.000	0.000
178	A	178	LEU	0	-0.023	-0.021	11.542	0.035	0.035	0.000	0.000	0.000	0.000
179	A	179	LYS	1	0.896	0.953	10.767	0.050	0.050	0.000	0.000	0.000	0.000
180	A	180	ASP	-1	-0.892	-0.947	9.984	-0.039	-0.039	0.000	0.000	0.000	0.000
181	A	181	PHE	0	-0.024	-0.017	8.374	-0.073	-0.073	0.000	0.000	0.000	0.000
182	A	182	ILE	0	-0.016	0.012	5.660	0.076	0.076	0.000	0.000	0.000	0.000
183	A	183	PHE	0	0.040	0.013	4.956	-0.331	-0.253	-0.001	-0.002	-0.075	0.000
184	A	184	ALA	0	-0.033	0.013	6.877	-0.435	-0.435	0.000	0.000	0.000	0.000
185	A	185	GLU	-1	-0.965	-0.996	2.161	-15.726	-11.433	2.207	-3.094	-3.406	-0.034
186	A	186	LYS	1	0.951	0.981	4.122	0.598	0.671	-0.001	-0.011	-0.062	0.000

Top

Graph

Overview

Highlights

Manual

Support

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