FMO DATABASE

FMODB ID: 7233K

Calculation Name: 3EFY-A-Xray372

Preferred Name:
Warning: Undefined array key "pref_name" in /home/FMODBwui_src/fmodbwui/detail.php on line 446

Target Type:
Warning: Undefined array key "target_type" in /home/FMODBwui_src/fmodbwui/detail.php on line 447

Ligand Name:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

ligand 3-letter code:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

PDB ID: 3EFY

Chain ID: A

ChEMBL ID:
Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

UniProt ID: Q7WRZ5

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	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	183
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-2013199.168483
FMO2-HF: Nuclear repulsion	1937658.884786
FMO2-HF: Total energy	-75540.283697
FMO2-MP2: Total energy	-75753.19485

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:107:PRO)

Summations of interaction energy for fragment #1(A:107:PRO)

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.
-5.292	-0.313	1.347	-2.367	-3.958	-0.008

Interaction energy analysis for fragmet #1(A:107:PRO)

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 : -0.007

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	A	109	CYS	0	0.016	0.049	3.391	-2.671	-0.574	0.028	-1.100	-1.026	0.001
4	A	110	GLY	0	0.092	0.030	6.032	0.145	0.145	0.000	0.000	0.000	0.000
5	A	111	VAL	0	-0.027	-0.010	2.599	-0.521	0.087	0.915	-0.324	-1.199	0.000
6	A	112	THR	0	-0.003	-0.014	2.692	-2.437	-0.706	0.402	-0.824	-1.309	-0.009
7	A	113	ALA	0	0.030	0.017	4.144	0.472	0.592	0.001	-0.027	-0.094	0.000
8	A	114	ASN	0	0.028	0.014	7.400	0.173	0.173	0.000	0.000	0.000	0.000
9	A	115	ALA	0	0.000	0.004	5.884	0.199	0.199	0.000	0.000	0.000	0.000
10	A	116	ILE	0	0.010	0.004	7.835	0.185	0.185	0.000	0.000	0.000	0.000
11	A	117	MET	0	-0.005	0.007	9.850	0.145	0.145	0.000	0.000	0.000	0.000
12	A	118	LYS	1	0.824	0.897	10.761	0.346	0.346	0.000	0.000	0.000	0.000
13	A	119	LEU	0	-0.031	-0.001	9.351	0.072	0.072	0.000	0.000	0.000	0.000
14	A	120	PHE	0	0.041	0.012	12.963	0.058	0.058	0.000	0.000	0.000	0.000
15	A	121	LEU	0	-0.021	0.005	15.618	0.053	0.053	0.000	0.000	0.000	0.000
16	A	122	ASP	-1	-0.784	-0.880	14.804	-0.232	-0.232	0.000	0.000	0.000	0.000
17	A	123	LYS	1	0.814	0.894	17.405	0.203	0.203	0.000	0.000	0.000	0.000
18	A	124	ASP	-1	-0.898	-0.947	20.742	-0.098	-0.098	0.000	0.000	0.000	0.000
19	A	125	GLY	0	-0.025	-0.005	23.456	0.001	0.001	0.000	0.000	0.000	0.000
20	A	126	PHE	0	-0.054	-0.027	18.395	0.004	0.004	0.000	0.000	0.000	0.000
21	A	127	SER	0	-0.027	-0.027	16.907	0.001	0.001	0.000	0.000	0.000	0.000
22	A	128	TYR	0	0.001	0.006	11.727	-0.013	-0.013	0.000	0.000	0.000	0.000
23	A	129	CYS	0	-0.066	-0.056	13.934	-0.001	-0.001	0.000	0.000	0.000	0.000
24	A	130	PHE	0	0.004	-0.004	11.919	0.012	0.012	0.000	0.000	0.000	0.000
25	A	131	GLU	-1	-0.856	-0.923	12.536	-0.186	-0.186	0.000	0.000	0.000	0.000
26	A	132	ASN	0	-0.076	-0.035	15.791	0.034	0.034	0.000	0.000	0.000	0.000
27	A	133	GLU	-1	-0.865	-0.919	16.475	-0.208	-0.208	0.000	0.000	0.000	0.000
28	A	134	GLN	0	-0.027	-0.023	19.091	0.004	0.004	0.000	0.000	0.000	0.000
29	A	135	THR	0	-0.006	-0.004	18.831	-0.017	-0.017	0.000	0.000	0.000	0.000
30	A	136	LEU	0	-0.080	-0.034	21.318	0.019	0.019	0.000	0.000	0.000	0.000
31	A	137	SER	0	0.032	-0.005	22.285	-0.022	-0.022	0.000	0.000	0.000	0.000
32	A	138	LEU	0	0.027	0.001	23.398	-0.011	-0.011	0.000	0.000	0.000	0.000
33	A	139	GLU	-1	-0.835	-0.900	25.079	-0.139	-0.139	0.000	0.000	0.000	0.000
34	A	140	GLN	0	0.020	0.016	26.268	0.001	0.001	0.000	0.000	0.000	0.000
35	A	141	LEU	0	-0.021	-0.008	21.505	0.001	0.001	0.000	0.000	0.000	0.000
36	A	142	GLN	0	0.019	-0.005	25.401	0.009	0.009	0.000	0.000	0.000	0.000
37	A	143	GLU	-1	-0.903	-0.930	28.072	-0.123	-0.123	0.000	0.000	0.000	0.000
38	A	144	ARG	1	0.907	0.948	24.989	0.195	0.195	0.000	0.000	0.000	0.000
39	A	145	LEU	0	-0.012	-0.013	23.661	-0.002	-0.002	0.000	0.000	0.000	0.000
40	A	146	SER	0	-0.014	-0.013	27.741	0.005	0.005	0.000	0.000	0.000	0.000
41	A	147	CYS	0	-0.115	-0.049	30.827	0.009	0.009	0.000	0.000	0.000	0.000
42	A	148	MET	0	0.006	0.029	23.857	0.000	0.000	0.000	0.000	0.000	0.000
43	A	149	PRO	0	-0.013	-0.010	29.065	0.004	0.004	0.000	0.000	0.000	0.000
44	A	150	GLU	-1	-0.768	-0.869	29.326	-0.149	-0.149	0.000	0.000	0.000	0.000
45	A	151	CYS	0	-0.050	-0.024	30.400	-0.006	-0.006	0.000	0.000	0.000	0.000
46	A	152	LYS	1	0.770	0.858	27.510	0.158	0.158	0.000	0.000	0.000	0.000
47	A	153	SER	0	0.035	0.020	23.138	0.008	0.008	0.000	0.000	0.000	0.000
48	A	154	PHE	0	-0.011	-0.020	21.922	0.007	0.007	0.000	0.000	0.000	0.000
49	A	155	VAL	0	0.016	0.015	15.377	-0.019	-0.019	0.000	0.000	0.000	0.000
50	A	156	LEU	0	0.006	0.000	17.178	0.032	0.032	0.000	0.000	0.000	0.000
51	A	157	ARG	1	0.874	0.918	9.990	0.623	0.623	0.000	0.000	0.000	0.000
52	A	158	VAL	0	-0.013	-0.005	13.823	0.089	0.089	0.000	0.000	0.000	0.000
53	A	159	ASN	0	0.002	0.001	12.926	-0.178	-0.178	0.000	0.000	0.000	0.000
54	A	160	ASP	-1	-0.728	-0.835	14.666	-0.324	-0.324	0.000	0.000	0.000	0.000
55	A	161	GLY	0	0.038	0.016	16.137	-0.027	-0.027	0.000	0.000	0.000	0.000
56	A	162	ALA	0	0.013	0.006	18.013	0.009	0.009	0.000	0.000	0.000	0.000
57	A	163	LEU	0	-0.027	-0.018	15.509	0.020	0.020	0.000	0.000	0.000	0.000
58	A	164	GLY	0	-0.013	0.001	15.309	-0.015	-0.015	0.000	0.000	0.000	0.000
59	A	165	HIS	0	-0.033	-0.024	9.523	-0.120	-0.120	0.000	0.000	0.000	0.000
60	A	166	ALA	0	-0.021	-0.021	9.373	0.119	0.119	0.000	0.000	0.000	0.000
61	A	167	TYR	0	-0.029	-0.029	9.275	-0.259	-0.259	0.000	0.000	0.000	0.000
62	A	168	ILE	0	-0.014	-0.006	10.303	0.108	0.108	0.000	0.000	0.000	0.000
63	A	169	VAL	0	0.009	0.008	12.942	-0.008	-0.008	0.000	0.000	0.000	0.000
64	A	170	ASP	-1	-0.785	-0.852	16.548	-0.387	-0.387	0.000	0.000	0.000	0.000
65	A	171	ILE	0	0.040	0.016	18.319	0.016	0.016	0.000	0.000	0.000	0.000
66	A	172	PRO	0	0.054	0.026	21.638	0.019	0.019	0.000	0.000	0.000	0.000
67	A	173	LYS	1	0.866	0.942	24.076	0.179	0.179	0.000	0.000	0.000	0.000
68	A	174	GLY	0	-0.007	-0.006	27.661	-0.002	-0.002	0.000	0.000	0.000	0.000
69	A	175	GLU	-1	-0.935	-0.968	30.082	-0.129	-0.129	0.000	0.000	0.000	0.000
70	A	176	ASN	0	-0.034	-0.045	29.916	-0.022	-0.022	0.000	0.000	0.000	0.000
71	A	177	SER	0	-0.046	-0.017	31.506	-0.002	-0.002	0.000	0.000	0.000	0.000
72	A	178	CYS	0	-0.041	-0.005	30.508	0.004	0.004	0.000	0.000	0.000	0.000
73	A	179	ARG	1	0.835	0.923	26.374	0.194	0.194	0.000	0.000	0.000	0.000
74	A	180	PRO	0	0.005	-0.002	25.818	-0.015	-0.015	0.000	0.000	0.000	0.000
75	A	181	ALA	0	-0.013	-0.001	21.042	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	182	PHE	0	0.007	0.013	17.612	0.012	0.012	0.000	0.000	0.000	0.000
77	A	183	LEU	0	0.010	0.006	13.538	-0.010	-0.010	0.000	0.000	0.000	0.000
78	A	184	TYR	0	-0.054	-0.043	11.148	-0.040	-0.040	0.000	0.000	0.000	0.000
79	A	185	GLN	0	-0.004	-0.006	8.809	-0.075	-0.075	0.000	0.000	0.000	0.000
80	A	186	SER	0	-0.021	-0.025	4.048	0.187	0.316	-0.001	-0.018	-0.109	0.000
81	A	187	ASP	-1	-0.738	-0.855	6.573	-0.822	-0.822	0.000	0.000	0.000	0.000
82	A	188	LEU	0	-0.034	-0.015	4.026	-0.237	0.057	0.002	-0.074	-0.221	0.000
83	A	189	GLY	0	-0.029	-0.029	6.948	0.410	0.410	0.000	0.000	0.000	0.000
84	A	190	GLU	-1	-0.973	-0.982	9.409	-0.007	-0.007	0.000	0.000	0.000	0.000
85	A	191	GLY	0	0.050	0.031	12.481	0.060	0.060	0.000	0.000	0.000	0.000
86	A	192	VAL	0	-0.003	0.006	14.516	0.054	0.054	0.000	0.000	0.000	0.000
87	A	193	THR	0	0.010	-0.010	12.527	0.080	0.080	0.000	0.000	0.000	0.000
88	A	194	ARG	1	0.742	0.819	13.049	0.287	0.287	0.000	0.000	0.000	0.000
89	A	195	LYS	1	0.858	0.927	6.030	-0.279	-0.279	0.000	0.000	0.000	0.000
90	A	196	LEU	0	-0.022	0.004	7.763	0.157	0.157	0.000	0.000	0.000	0.000
91	A	197	ARG	1	0.765	0.850	5.446	-0.535	-0.535	0.000	0.000	0.000	0.000
92	A	198	PHE	0	0.056	0.008	4.865	0.125	0.125	0.000	0.000	0.000	0.000
93	A	199	GLU	-1	-0.815	-0.883	6.433	0.031	0.031	0.000	0.000	0.000	0.000
94	A	200	ASP	-1	-0.789	-0.867	8.776	-0.360	-0.360	0.000	0.000	0.000	0.000
95	A	201	TRP	0	0.020	-0.016	9.950	0.069	0.069	0.000	0.000	0.000	0.000
96	A	202	MET	0	-0.028	-0.016	9.831	0.078	0.078	0.000	0.000	0.000	0.000
97	A	203	THR	0	-0.061	-0.046	12.233	0.094	0.094	0.000	0.000	0.000	0.000
98	A	204	HIS	0	-0.063	-0.033	14.245	0.110	0.110	0.000	0.000	0.000	0.000
99	A	205	LYS	1	0.828	0.911	15.860	0.383	0.383	0.000	0.000	0.000	0.000
100	A	206	ALA	0	0.000	0.005	13.625	0.022	0.022	0.000	0.000	0.000	0.000
101	A	207	LEU	0	-0.003	0.001	15.779	0.020	0.020	0.000	0.000	0.000	0.000
102	A	208	THR	0	-0.061	-0.017	18.587	0.051	0.051	0.000	0.000	0.000	0.000
103	A	209	PRO	0	-0.039	-0.007	20.447	-0.026	-0.026	0.000	0.000	0.000	0.000
104	A	210	ILE	0	-0.014	-0.013	19.808	0.012	0.012	0.000	0.000	0.000	0.000
105	A	211	LEU	0	0.004	0.008	23.386	0.007	0.007	0.000	0.000	0.000	0.000
106	A	212	LEU	0	0.017	-0.003	22.875	-0.021	-0.021	0.000	0.000	0.000	0.000
107	A	213	ASP	-1	-0.838	-0.935	24.540	-0.200	-0.200	0.000	0.000	0.000	0.000
108	A	214	ASP	-1	-0.883	-0.941	24.191	-0.223	-0.223	0.000	0.000	0.000	0.000
109	A	215	ILE	0	-0.014	-0.012	18.361	-0.003	-0.003	0.000	0.000	0.000	0.000
110	A	216	CYS	0	-0.021	-0.010	22.221	-0.005	-0.005	0.000	0.000	0.000	0.000
111	A	217	ASN	0	-0.030	-0.009	24.488	0.010	0.010	0.000	0.000	0.000	0.000
112	A	218	TYR	0	-0.005	-0.025	18.856	0.020	0.020	0.000	0.000	0.000	0.000
113	A	219	PHE	0	0.018	0.003	18.432	0.007	0.007	0.000	0.000	0.000	0.000
114	A	220	SER	0	-0.003	0.006	23.169	0.017	0.017	0.000	0.000	0.000	0.000
115	A	221	CYS	0	-0.043	-0.023	26.423	0.018	0.018	0.000	0.000	0.000	0.000
116	A	222	MET	0	0.038	0.037	20.959	0.027	0.027	0.000	0.000	0.000	0.000
117	A	223	SER	0	-0.031	-0.025	24.603	0.015	0.015	0.000	0.000	0.000	0.000
118	A	224	GLN	0	-0.023	0.006	25.689	0.027	0.027	0.000	0.000	0.000	0.000
119	A	225	ASN	0	0.002	-0.007	26.883	0.003	0.003	0.000	0.000	0.000	0.000
120	A	226	LYS	1	0.823	0.914	27.952	0.143	0.143	0.000	0.000	0.000	0.000
121	A	227	THR	0	0.005	-0.008	24.761	-0.009	-0.009	0.000	0.000	0.000	0.000
122	A	228	ASP	-1	-0.842	-0.907	26.297	-0.171	-0.171	0.000	0.000	0.000	0.000
123	A	229	LEU	0	0.012	-0.013	22.940	-0.020	-0.020	0.000	0.000	0.000	0.000
124	A	230	GLU	-1	-0.817	-0.916	23.046	-0.183	-0.183	0.000	0.000	0.000	0.000
125	A	231	GLN	0	-0.025	-0.005	23.602	-0.020	-0.020	0.000	0.000	0.000	0.000
126	A	232	ILE	0	0.021	0.009	18.675	-0.025	-0.025	0.000	0.000	0.000	0.000
127	A	233	ALA	0	-0.019	-0.008	19.199	-0.044	-0.044	0.000	0.000	0.000	0.000
128	A	234	THR	0	-0.019	-0.032	19.786	-0.022	-0.022	0.000	0.000	0.000	0.000
129	A	235	LEU	0	-0.019	0.003	18.822	-0.013	-0.013	0.000	0.000	0.000	0.000
130	A	236	PHE	0	-0.012	-0.001	14.642	-0.040	-0.040	0.000	0.000	0.000	0.000
131	A	237	ASP	-1	-0.730	-0.824	14.647	-0.391	-0.391	0.000	0.000	0.000	0.000
132	A	238	ILE	0	-0.033	-0.011	13.101	0.011	0.011	0.000	0.000	0.000	0.000
133	A	239	ASP	-1	-0.841	-0.901	15.922	-0.221	-0.221	0.000	0.000	0.000	0.000
134	A	240	GLY	0	-0.029	-0.008	19.124	0.028	0.028	0.000	0.000	0.000	0.000
135	A	241	ASN	0	-0.033	-0.026	20.120	0.033	0.033	0.000	0.000	0.000	0.000
136	A	242	VAL	0	0.065	0.024	20.583	-0.011	-0.011	0.000	0.000	0.000	0.000
137	A	243	LYS	1	0.880	0.936	22.323	0.105	0.105	0.000	0.000	0.000	0.000
138	A	244	MET	0	-0.085	-0.032	17.373	0.027	0.027	0.000	0.000	0.000	0.000
139	A	245	LEU	0	-0.014	0.011	17.599	-0.026	-0.026	0.000	0.000	0.000	0.000
140	A	246	ARG	1	0.903	0.953	16.628	0.140	0.140	0.000	0.000	0.000	0.000
141	A	247	LYS	1	0.916	0.931	20.121	0.092	0.092	0.000	0.000	0.000	0.000
142	A	248	GLU	-1	-0.848	-0.915	22.226	-0.118	-0.118	0.000	0.000	0.000	0.000
143	A	249	ASN	0	-0.060	-0.035	16.823	0.040	0.040	0.000	0.000	0.000	0.000
144	A	250	ILE	0	-0.016	0.010	19.166	-0.025	-0.025	0.000	0.000	0.000	0.000
145	A	251	GLN	0	-0.090	-0.041	18.474	0.049	0.049	0.000	0.000	0.000	0.000
146	A	252	TYR	0	-0.036	-0.027	21.338	0.005	0.005	0.000	0.000	0.000	0.000
147	A	253	GLN	0	-0.001	-0.003	21.473	0.002	0.002	0.000	0.000	0.000	0.000
148	A	254	LYS	1	0.909	0.947	25.721	0.080	0.080	0.000	0.000	0.000	0.000
149	A	255	HIS	0	0.015	0.001	27.398	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	256	ASP	-1	-0.899	-0.952	23.642	-0.150	-0.150	0.000	0.000	0.000	0.000
151	A	257	ASN	0	-0.016	-0.005	21.858	-0.014	-0.014	0.000	0.000	0.000	0.000
152	A	258	PHE	0	-0.035	-0.010	18.725	-0.025	-0.025	0.000	0.000	0.000	0.000
153	A	259	SER	0	-0.031	0.001	18.213	0.029	0.029	0.000	0.000	0.000	0.000
154	A	260	PHE	0	0.027	0.006	17.464	-0.047	-0.047	0.000	0.000	0.000	0.000
155	A	261	GLN	0	0.021	0.011	15.498	-0.014	-0.014	0.000	0.000	0.000	0.000
156	A	262	LEU	0	-0.033	-0.003	17.780	-0.035	-0.035	0.000	0.000	0.000	0.000
157	A	263	PHE	0	-0.019	-0.008	18.380	0.028	0.028	0.000	0.000	0.000	0.000
158	A	264	GLU	-1	-0.797	-0.879	20.917	-0.182	-0.182	0.000	0.000	0.000	0.000
159	A	265	TYR	0	-0.080	-0.076	19.669	0.004	0.004	0.000	0.000	0.000	0.000
160	A	266	ASP	-1	-0.814	-0.892	21.737	-0.188	-0.188	0.000	0.000	0.000	0.000
161	A	267	THR	0	-0.043	-0.043	21.604	-0.024	-0.024	0.000	0.000	0.000	0.000
162	A	268	ASP	-1	-0.842	-0.937	21.471	-0.174	-0.174	0.000	0.000	0.000	0.000
163	A	269	ASN	0	-0.061	-0.035	18.737	0.028	0.028	0.000	0.000	0.000	0.000
164	A	270	ILE	0	0.030	0.024	14.437	-0.010	-0.010	0.000	0.000	0.000	0.000
165	A	271	GLU	-1	-0.880	-0.920	16.915	-0.217	-0.217	0.000	0.000	0.000	0.000
166	A	272	LYS	1	0.833	0.914	18.691	0.197	0.197	0.000	0.000	0.000	0.000
167	A	273	ASN	0	-0.037	-0.030	14.483	0.049	0.049	0.000	0.000	0.000	0.000
168	A	274	ILE	0	0.013	0.013	13.995	-0.021	-0.021	0.000	0.000	0.000	0.000
169	A	275	GLU	-1	-0.827	-0.900	15.083	-0.172	-0.172	0.000	0.000	0.000	0.000
170	A	276	ILE	0	-0.014	0.002	14.822	0.026	0.026	0.000	0.000	0.000	0.000
171	A	277	ILE	0	0.010	0.003	8.016	0.029	0.029	0.000	0.000	0.000	0.000
172	A	278	LYS	1	0.838	0.907	12.489	0.240	0.240	0.000	0.000	0.000	0.000
173	A	279	SER	0	-0.031	0.001	14.394	0.045	0.045	0.000	0.000	0.000	0.000
174	A	280	LEU	0	0.029	0.014	12.978	0.033	0.033	0.000	0.000	0.000	0.000
175	A	281	CYS	0	-0.055	-0.035	10.601	0.040	0.040	0.000	0.000	0.000	0.000
176	A	282	SER	0	-0.115	-0.069	12.887	0.050	0.050	0.000	0.000	0.000	0.000
177	A	283	GLY	0	0.030	0.014	16.220	0.015	0.015	0.000	0.000	0.000	0.000
178	A	284	ALA	0	0.022	0.007	12.523	0.020	0.020	0.000	0.000	0.000	0.000
179	A	285	ALA	0	-0.020	-0.012	14.528	0.036	0.036	0.000	0.000	0.000	0.000
180	A	286	ALA	0	-0.023	-0.001	16.597	0.009	0.009	0.000	0.000	0.000	0.000
181	A	287	LEU	0	-0.050	-0.022	13.832	-0.016	-0.016	0.000	0.000	0.000	0.000
182	A	288	GLU	-1	-0.964	-0.969	11.810	0.575	0.575	0.000	0.000	0.000	0.000
183	A	289	HIS	0	-0.080	-0.036	16.363	-0.011	-0.011	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:107:PRO)