FMO DATABASE

FMODB ID: G5R61

Calculation Name: 4O9I-X-Xray372

Preferred Name: Chromodomain-helicase-DNA-binding protein 4

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 4O9I

Chain ID: X

ChEMBL ID: CHEMBL4105742

UniProt ID: Q14839

Base Structure: X-ray

Registration Date: 2023-09-22

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	185
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-2050164.254537
FMO2-HF: Nuclear repulsion	1970775.305986
FMO2-HF: Total energy	-79388.948551
FMO2-MP2: Total energy	-79618.709233

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(X:16:ASN)

Summations of interaction energy for fragment #1(X: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.
-6.393	-0.020000000000001	0.133	-2.88	-3.628	0.007

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.007 / q_NPA : -0.009

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	X	18	TYR	0	0.012	-0.011	2.901	-1.769	2.695	0.030	-2.139	-2.356	0.009
4	X	19	PHE	0	0.011	0.033	3.171	2.184	3.406	0.089	-0.519	-0.793	-0.004
5	X	20	GLN	0	0.047	0.026	3.507	0.415	1.100	0.015	-0.221	-0.479	0.002
6	X	21	MET	0	-0.024	-0.006	5.196	-1.330	-1.328	-0.001	-0.001	0.000	0.000
7	X	22	LYS	1	0.854	0.912	7.330	-4.083	-4.083	0.000	0.000	0.000	0.000
8	X	23	GLY	0	0.046	0.021	9.954	-0.357	-0.357	0.000	0.000	0.000	0.000
9	X	24	LYS	1	0.915	0.969	13.532	-0.779	-0.779	0.000	0.000	0.000	0.000
10	X	25	VAL	0	0.038	0.033	14.168	0.039	0.039	0.000	0.000	0.000	0.000
11	X	26	GLN	0	0.035	0.012	16.421	-0.059	-0.059	0.000	0.000	0.000	0.000
12	X	27	LYS	1	0.931	0.957	18.267	-0.746	-0.746	0.000	0.000	0.000	0.000
13	X	28	ILE	0	0.005	0.014	17.702	0.133	0.133	0.000	0.000	0.000	0.000
14	X	29	LEU	0	-0.064	-0.039	17.198	-0.095	-0.095	0.000	0.000	0.000	0.000
15	X	30	ILE	0	0.038	0.027	17.300	-0.066	-0.066	0.000	0.000	0.000	0.000
16	X	31	TRP	0	-0.044	-0.021	16.896	0.141	0.141	0.000	0.000	0.000	0.000
17	X	32	LYS	1	0.986	1.003	12.211	-0.450	-0.450	0.000	0.000	0.000	0.000
18	X	33	TRP	0	0.037	0.026	16.210	0.040	0.040	0.000	0.000	0.000	0.000
19	X	34	GLY	0	-0.021	-0.015	13.715	0.007	0.007	0.000	0.000	0.000	0.000
20	X	35	GLN	0	-0.035	-0.025	12.929	0.051	0.051	0.000	0.000	0.000	0.000
21	X	36	PRO	0	0.013	0.025	11.807	0.004	0.004	0.000	0.000	0.000	0.000
22	X	37	PRO	0	-0.010	-0.004	8.488	-0.277	-0.277	0.000	0.000	0.000	0.000
23	X	38	SER	0	0.038	0.015	9.236	0.263	0.263	0.000	0.000	0.000	0.000
24	X	39	PRO	0	0.006	-0.007	8.649	-0.638	-0.638	0.000	0.000	0.000	0.000
25	X	40	THR	0	-0.014	-0.013	9.479	-0.267	-0.267	0.000	0.000	0.000	0.000
26	X	41	PRO	0	-0.029	-0.015	5.449	0.143	0.143	0.000	0.000	0.000	0.000
27	X	42	VAL	0	-0.012	0.012	6.436	-0.705	-0.705	0.000	0.000	0.000	0.000
28	X	43	PRO	0	-0.032	-0.019	7.042	0.431	0.431	0.000	0.000	0.000	0.000
29	X	44	ARG	1	0.909	0.949	10.245	1.063	1.063	0.000	0.000	0.000	0.000
30	X	45	PRO	0	0.001	0.012	13.976	-0.029	-0.029	0.000	0.000	0.000	0.000
31	X	46	PRO	0	-0.014	-0.034	16.339	0.023	0.023	0.000	0.000	0.000	0.000
32	X	47	ASP	-1	-0.921	-0.951	18.806	-0.580	-0.580	0.000	0.000	0.000	0.000
33	X	48	ALA	0	-0.038	0.004	19.512	0.024	0.024	0.000	0.000	0.000	0.000
34	X	49	ASP	-1	-0.805	-0.930	21.349	-0.460	-0.460	0.000	0.000	0.000	0.000
35	X	50	PRO	0	-0.094	-0.011	22.333	-0.045	-0.045	0.000	0.000	0.000	0.000
36	X	51	ASN	0	-0.046	-0.036	18.484	0.049	0.049	0.000	0.000	0.000	0.000
37	X	52	THR	0	0.035	0.017	21.296	-0.017	-0.017	0.000	0.000	0.000	0.000
38	X	53	PRO	0	0.013	0.023	21.737	0.004	0.004	0.000	0.000	0.000	0.000
39	X	54	SER	0	-0.021	-0.023	18.676	-0.028	-0.028	0.000	0.000	0.000	0.000
40	X	55	PRO	0	0.001	-0.013	16.831	-0.079	-0.079	0.000	0.000	0.000	0.000
41	X	56	LYS	1	0.979	0.977	16.052	0.594	0.594	0.000	0.000	0.000	0.000
42	X	57	PRO	0	-0.014	0.015	14.181	0.090	0.090	0.000	0.000	0.000	0.000
43	X	58	LEU	0	0.004	-0.002	17.527	0.001	0.001	0.000	0.000	0.000	0.000
44	X	59	GLU	-1	-0.899	-0.937	17.658	-0.637	-0.637	0.000	0.000	0.000	0.000
45	X	60	GLY	0	0.000	-0.006	17.000	0.063	0.063	0.000	0.000	0.000	0.000
46	X	61	ARG	1	0.957	0.967	18.081	0.132	0.132	0.000	0.000	0.000	0.000
47	X	62	PRO	0	0.015	0.011	16.483	-0.021	-0.021	0.000	0.000	0.000	0.000
48	X	63	GLU	-1	-0.937	-0.982	12.511	-0.028	-0.028	0.000	0.000	0.000	0.000
49	X	64	ARG	1	0.838	0.923	15.510	-0.197	-0.197	0.000	0.000	0.000	0.000
50	X	65	GLN	0	-0.026	-0.009	10.966	0.164	0.164	0.000	0.000	0.000	0.000
51	X	66	PHE	0	0.000	-0.017	12.948	-0.080	-0.080	0.000	0.000	0.000	0.000
52	X	67	PHE	0	0.042	0.039	11.924	0.312	0.312	0.000	0.000	0.000	0.000
53	X	68	VAL	0	0.007	0.000	12.245	-0.228	-0.228	0.000	0.000	0.000	0.000
54	X	69	LYS	1	0.883	0.946	14.010	-0.811	-0.811	0.000	0.000	0.000	0.000
55	X	70	TRP	0	0.069	0.022	9.742	-0.167	-0.167	0.000	0.000	0.000	0.000
56	X	71	GLN	0	-0.032	-0.052	15.482	-0.127	-0.127	0.000	0.000	0.000	0.000
57	X	72	GLY	0	-0.025	0.000	17.648	0.067	0.067	0.000	0.000	0.000	0.000
58	X	73	MET	0	-0.022	0.012	12.355	0.065	0.065	0.000	0.000	0.000	0.000
59	X	74	SER	0	-0.002	-0.022	17.338	-0.041	-0.041	0.000	0.000	0.000	0.000
60	X	75	TYR	0	0.021	-0.035	16.165	0.174	0.174	0.000	0.000	0.000	0.000
61	X	76	TRP	0	0.075	0.050	14.958	0.097	0.097	0.000	0.000	0.000	0.000
62	X	77	HIS	0	-0.053	-0.038	11.779	0.537	0.537	0.000	0.000	0.000	0.000
63	X	78	CYS	0	-0.074	0.008	11.118	0.430	0.430	0.000	0.000	0.000	0.000
64	X	79	SER	0	0.025	0.008	7.804	0.181	0.181	0.000	0.000	0.000	0.000
65	X	80	TRP	0	0.015	0.000	8.542	-0.468	-0.468	0.000	0.000	0.000	0.000
66	X	81	VAL	0	-0.039	-0.011	8.462	0.797	0.797	0.000	0.000	0.000	0.000
67	X	82	SER	0	0.067	0.032	10.302	-0.457	-0.457	0.000	0.000	0.000	0.000
68	X	83	GLU	-1	-0.779	-0.913	11.819	0.405	0.405	0.000	0.000	0.000	0.000
69	X	84	LEU	0	0.057	0.040	13.505	0.025	0.025	0.000	0.000	0.000	0.000
70	X	85	GLN	0	-0.032	-0.029	8.149	-0.113	-0.113	0.000	0.000	0.000	0.000
71	X	86	LEU	0	0.011	-0.006	13.794	0.014	0.014	0.000	0.000	0.000	0.000
72	X	87	GLU	-1	-0.946	-0.975	16.379	0.285	0.285	0.000	0.000	0.000	0.000
73	X	88	LEU	0	-0.071	-0.034	15.258	-0.036	-0.036	0.000	0.000	0.000	0.000
74	X	89	HIS	0	-0.013	-0.001	14.110	-0.030	-0.030	0.000	0.000	0.000	0.000
75	X	90	CYS	0	-0.089	-0.038	17.257	0.022	0.022	0.000	0.000	0.000	0.000
76	X	91	GLN	0	0.113	0.068	19.788	-0.063	-0.063	0.000	0.000	0.000	0.000
77	X	92	VAL	0	0.008	0.002	22.385	-0.029	-0.029	0.000	0.000	0.000	0.000
78	X	93	MET	0	-0.052	-0.034	19.251	-0.028	-0.028	0.000	0.000	0.000	0.000
79	X	94	PHE	0	0.057	0.021	19.639	-0.003	-0.003	0.000	0.000	0.000	0.000
80	X	95	ARG	1	0.955	0.970	22.103	-0.364	-0.364	0.000	0.000	0.000	0.000
81	X	96	ASN	0	-0.068	-0.040	25.572	-0.063	-0.063	0.000	0.000	0.000	0.000
82	X	97	TYR	0	-0.005	-0.001	21.620	-0.023	-0.023	0.000	0.000	0.000	0.000
83	X	98	GLN	0	0.099	0.023	22.954	-0.011	-0.011	0.000	0.000	0.000	0.000
84	X	99	ARG	1	0.900	0.965	25.407	-0.295	-0.295	0.000	0.000	0.000	0.000
85	X	100	LYS	1	0.888	0.946	27.786	-0.385	-0.385	0.000	0.000	0.000	0.000
86	X	101	ASN	0	-0.065	-0.026	25.242	-0.017	-0.017	0.000	0.000	0.000	0.000
87	X	102	ASP	-1	-0.770	-0.879	27.269	0.160	0.160	0.000	0.000	0.000	0.000
88	X	103	MET	0	-0.049	-0.026	23.004	0.046	0.046	0.000	0.000	0.000	0.000
89	X	104	ASP	-1	-0.921	-0.957	23.671	0.106	0.106	0.000	0.000	0.000	0.000
90	X	105	GLU	-1	-0.929	-0.952	24.717	0.091	0.091	0.000	0.000	0.000	0.000
91	X	106	PRO	0	-0.072	-0.026	21.203	0.030	0.030	0.000	0.000	0.000	0.000
92	X	107	PRO	0	-0.027	-0.025	21.528	-0.014	-0.014	0.000	0.000	0.000	0.000
93	X	108	SER	0	0.010	0.010	23.257	-0.008	-0.008	0.000	0.000	0.000	0.000
94	X	109	GLY	0	-0.005	-0.001	23.678	0.027	0.027	0.000	0.000	0.000	0.000
95	X	110	ASP	-1	-0.884	-0.937	24.612	0.355	0.355	0.000	0.000	0.000	0.000
96	X	111	PHE	0	-0.001	-0.012	27.358	-0.021	-0.021	0.000	0.000	0.000	0.000
97	X	112	GLY	0	0.026	-0.002	30.614	0.007	0.007	0.000	0.000	0.000	0.000
98	X	113	GLY	0	0.015	0.008	34.071	-0.012	-0.012	0.000	0.000	0.000	0.000
99	X	114	ASP	-1	-0.949	-0.970	34.663	0.204	0.204	0.000	0.000	0.000	0.000
100	X	115	GLU	-1	-0.849	-0.903	29.631	0.293	0.293	0.000	0.000	0.000	0.000
101	X	116	GLU	-1	-0.747	-0.852	30.927	0.149	0.149	0.000	0.000	0.000	0.000
102	X	117	LYS	1	0.895	0.919	31.563	-0.102	-0.102	0.000	0.000	0.000	0.000
103	X	118	SER	0	0.003	-0.012	32.859	-0.019	-0.019	0.000	0.000	0.000	0.000
104	X	119	ARG	1	0.852	0.917	25.680	-0.304	-0.304	0.000	0.000	0.000	0.000
105	X	120	LYS	1	0.775	0.895	28.176	-0.168	-0.168	0.000	0.000	0.000	0.000
106	X	121	ARG	1	0.915	0.946	29.824	-0.148	-0.148	0.000	0.000	0.000	0.000
107	X	122	LYS	1	0.897	0.973	27.315	-0.241	-0.241	0.000	0.000	0.000	0.000
108	X	123	ASN	0	0.062	0.015	24.334	0.034	0.034	0.000	0.000	0.000	0.000
109	X	124	LYS	1	0.913	0.958	26.000	-0.083	-0.083	0.000	0.000	0.000	0.000
110	X	125	ASP	-1	-0.871	-0.931	25.720	0.195	0.195	0.000	0.000	0.000	0.000
111	X	126	PRO	0	0.061	0.022	23.047	0.025	0.025	0.000	0.000	0.000	0.000
112	X	127	LYS	1	0.906	0.955	18.155	-0.473	-0.473	0.000	0.000	0.000	0.000
113	X	128	PHE	0	-0.028	-0.025	21.094	0.057	0.057	0.000	0.000	0.000	0.000
114	X	129	ALA	0	0.012	0.000	21.702	0.034	0.034	0.000	0.000	0.000	0.000
115	X	130	GLU	-1	-0.943	-0.969	16.015	0.381	0.381	0.000	0.000	0.000	0.000
116	X	131	MET	0	-0.017	0.000	17.112	0.110	0.110	0.000	0.000	0.000	0.000
117	X	132	GLU	-1	-0.915	-0.960	18.788	0.398	0.398	0.000	0.000	0.000	0.000
118	X	133	GLU	-1	-0.976	-0.994	14.115	0.366	0.366	0.000	0.000	0.000	0.000
119	X	134	ARG	1	0.992	0.997	9.571	-1.697	-1.697	0.000	0.000	0.000	0.000
120	X	135	PHE	0	-0.055	-0.046	13.483	0.189	0.189	0.000	0.000	0.000	0.000
121	X	136	TYR	0	0.013	0.002	17.092	-0.001	-0.001	0.000	0.000	0.000	0.000
122	X	137	ARG	1	0.917	0.980	16.214	-0.348	-0.348	0.000	0.000	0.000	0.000
123	X	138	TYR	0	-0.072	-0.029	15.134	-0.039	-0.039	0.000	0.000	0.000	0.000
124	X	139	GLY	0	0.027	0.021	19.474	0.044	0.044	0.000	0.000	0.000	0.000
125	X	140	ILE	0	-0.119	-0.049	16.949	0.029	0.029	0.000	0.000	0.000	0.000
126	X	141	LYS	1	0.944	0.967	21.428	-0.395	-0.395	0.000	0.000	0.000	0.000
127	X	142	PRO	0	0.053	0.012	23.336	0.046	0.046	0.000	0.000	0.000	0.000
128	X	143	GLU	-1	-0.874	-0.947	24.168	0.384	0.384	0.000	0.000	0.000	0.000
129	X	144	TRP	0	-0.030	-0.009	22.098	0.019	0.019	0.000	0.000	0.000	0.000
130	X	145	MET	0	-0.015	0.002	18.196	0.088	0.088	0.000	0.000	0.000	0.000
131	X	146	MET	0	0.001	0.005	21.778	-0.012	-0.012	0.000	0.000	0.000	0.000
132	X	147	ILE	0	0.034	0.037	23.806	0.004	0.004	0.000	0.000	0.000	0.000
133	X	148	HIS	0	-0.044	-0.022	26.271	-0.023	-0.023	0.000	0.000	0.000	0.000
134	X	149	ARG	1	0.954	0.949	29.017	-0.312	-0.312	0.000	0.000	0.000	0.000
135	X	150	ILE	0	0.018	0.035	26.822	0.026	0.026	0.000	0.000	0.000	0.000
136	X	151	LEU	0	-0.061	-0.031	28.684	-0.031	-0.031	0.000	0.000	0.000	0.000
137	X	152	ASN	0	0.018	0.001	28.916	-0.025	-0.025	0.000	0.000	0.000	0.000
138	X	153	HIS	0	0.039	0.058	27.082	0.030	0.030	0.000	0.000	0.000	0.000
139	X	154	SER	0	-0.032	-0.008	24.885	-0.030	-0.030	0.000	0.000	0.000	0.000
140	X	155	VAL	0	0.033	0.020	25.311	0.018	0.018	0.000	0.000	0.000	0.000
141	X	156	ASP	-1	-0.832	-0.890	20.560	0.514	0.514	0.000	0.000	0.000	0.000
142	X	157	LYS	1	0.947	0.950	23.104	-0.296	-0.296	0.000	0.000	0.000	0.000
143	X	158	LYS	1	0.800	0.886	17.774	-0.556	-0.556	0.000	0.000	0.000	0.000
144	X	159	GLY	0	0.060	0.032	23.795	-0.025	-0.025	0.000	0.000	0.000	0.000
145	X	160	HIS	0	0.035	0.028	18.587	-0.016	-0.016	0.000	0.000	0.000	0.000
146	X	161	VAL	0	-0.031	-0.003	22.379	0.007	0.007	0.000	0.000	0.000	0.000
147	X	162	HIS	0	-0.054	-0.024	18.059	0.101	0.101	0.000	0.000	0.000	0.000
148	X	163	TYR	0	0.067	0.013	22.706	-0.069	-0.069	0.000	0.000	0.000	0.000
149	X	164	LEU	0	-0.027	0.008	23.266	0.058	0.058	0.000	0.000	0.000	0.000
150	X	165	ILE	0	0.030	0.001	22.063	-0.058	-0.058	0.000	0.000	0.000	0.000
151	X	166	LYS	1	0.861	0.940	25.384	-0.354	-0.354	0.000	0.000	0.000	0.000
152	X	167	TRP	0	0.047	0.007	20.494	-0.027	-0.027	0.000	0.000	0.000	0.000
153	X	168	ARG	1	0.912	0.946	26.109	-0.357	-0.357	0.000	0.000	0.000	0.000
154	X	169	ASP	-1	-0.885	-0.943	27.489	0.353	0.353	0.000	0.000	0.000	0.000
155	X	170	LEU	0	-0.045	-0.006	23.797	0.006	0.006	0.000	0.000	0.000	0.000
156	X	171	PRO	0	-0.013	-0.013	28.298	-0.015	-0.015	0.000	0.000	0.000	0.000
157	X	172	TYR	0	0.035	0.005	28.656	0.024	0.024	0.000	0.000	0.000	0.000
158	X	173	ASP	-1	-0.897	-0.953	28.950	0.423	0.423	0.000	0.000	0.000	0.000
159	X	174	GLN	0	-0.056	-0.028	25.008	0.053	0.053	0.000	0.000	0.000	0.000
160	X	175	ALA	0	-0.008	-0.001	24.443	0.040	0.040	0.000	0.000	0.000	0.000
161	X	176	SER	0	-0.018	-0.012	20.470	0.025	0.025	0.000	0.000	0.000	0.000
162	X	177	TRP	0	-0.049	-0.015	20.447	-0.033	-0.033	0.000	0.000	0.000	0.000
163	X	178	GLU	-1	-0.790	-0.868	17.010	1.218	1.218	0.000	0.000	0.000	0.000
164	X	179	SER	0	0.052	0.033	16.887	-0.127	-0.127	0.000	0.000	0.000	0.000
165	X	180	GLU	-1	-0.838	-0.933	19.008	0.409	0.409	0.000	0.000	0.000	0.000
166	X	181	ASP	-1	-0.922	-0.955	17.264	0.467	0.467	0.000	0.000	0.000	0.000
167	X	182	VAL	0	-0.065	-0.023	15.402	0.030	0.030	0.000	0.000	0.000	0.000
168	X	183	GLU	-1	-0.836	-0.900	16.683	0.489	0.489	0.000	0.000	0.000	0.000
169	X	184	ILE	0	0.002	0.003	18.610	0.041	0.041	0.000	0.000	0.000	0.000
170	X	185	GLN	0	0.020	-0.006	20.984	-0.047	-0.047	0.000	0.000	0.000	0.000
171	X	186	ASP	-1	-0.897	-0.955	24.298	0.307	0.307	0.000	0.000	0.000	0.000
172	X	187	TYR	0	-0.045	-0.027	20.780	-0.036	-0.036	0.000	0.000	0.000	0.000
173	X	188	ASP	-1	-0.868	-0.959	24.980	0.333	0.333	0.000	0.000	0.000	0.000
174	X	189	LEU	0	0.037	0.027	27.414	-0.021	-0.021	0.000	0.000	0.000	0.000
175	X	190	PHE	0	-0.042	-0.033	27.851	-0.016	-0.016	0.000	0.000	0.000	0.000
176	X	191	LYS	1	0.862	0.944	23.175	-0.422	-0.422	0.000	0.000	0.000	0.000
177	X	192	GLN	0	-0.001	0.003	29.328	-0.004	-0.004	0.000	0.000	0.000	0.000
178	X	193	SER	0	-0.016	-0.001	32.666	-0.016	-0.016	0.000	0.000	0.000	0.000
179	X	194	TYR	0	-0.091	-0.083	31.132	-0.008	-0.008	0.000	0.000	0.000	0.000
180	X	195	TRP	0	-0.011	-0.036	29.204	-0.013	-0.013	0.000	0.000	0.000	0.000
181	X	196	ASN	0	0.044	0.025	34.382	-0.012	-0.012	0.000	0.000	0.000	0.000
182	X	197	HIS	0	-0.107	-0.042	36.809	-0.020	-0.020	0.000	0.000	0.000	0.000
183	X	198	ARG	1	0.933	0.971	34.468	-0.240	-0.240	0.000	0.000	0.000	0.000
184	X	199	GLU	-1	-0.923	-0.956	38.072	0.178	0.178	0.000	0.000	0.000	0.000
185	X	200	LEU	0	-0.066	-0.019	41.154	-0.008	-0.008	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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