FMO DATABASE

FMODB ID: LQV89

Calculation Name: 1CS6-A-Xray547

Preferred Name:

Target Type:

Ligand Name:

Ligand 3-letter code:

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 1CS6

Chain ID: A

ChEMBL ID:

UniProt ID: P28685

Base Structure: X-ray

Registration Date: 2025-09-02

Reference: Sci Data 11, 1164 (2024).

DOI: https://doi.org/10.1038/s41597-024-03999-2

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Homology Modeling
Water	No
Procedure	Manual calculation
Remarks	ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE.

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	378
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922

Total energy (hartree)

FMO2-HF: Electronic energy	-5545190.932047
FMO2-HF: Nuclear repulsion	5395355.942112
FMO2-HF: Total energy	-149834.989935
FMO2-MP2: Total energy	-150270.896445

3D Structure Molmil

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:7:ARG)

Summations of interaction energy for fragment #1(A:7:ARG)

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.
-274.196	-268.725	1.318	-2.765	-4.022	-0.028

Interaction energy analysis for fragmet #1(A:7:ARG)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 2 / q_Mulliken : 1.831 / q_NPA : 1.911

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	9	TYR	0	0.054	0.033	2.512	-22.897	-18.052	1.320	-2.695	-3.469	-0.028
4	A	10	GLY	0	0.064	0.019	5.067	3.587	3.649	-0.001	-0.007	-0.054	0.000
34	A	40	ASN	0	-0.054	-0.004	4.404	-1.915	-1.574	-0.001	-0.040	-0.300	0.000
84	A	91	ARG	1	0.859	0.936	3.914	75.539	75.762	0.000	-0.023	-0.199	0.000
5	A	11	PRO	0	-0.086	-0.050	8.894	-0.960	-0.960	0.000	0.000	0.000	0.000
6	A	12	VAL	0	0.047	0.029	10.642	2.253	2.253	0.000	0.000	0.000	0.000
7	A	13	PHE	0	-0.037	-0.041	13.319	0.091	0.091	0.000	0.000	0.000	0.000
8	A	14	GLU	-1	-0.859	-0.909	13.206	-39.745	-39.745	0.000	0.000	0.000	0.000
9	A	15	GLU	-1	-0.853	-0.927	17.235	-26.005	-26.005	0.000	0.000	0.000	0.000
10	A	16	GLN	0	0.042	0.018	20.375	-0.071	-0.071	0.000	0.000	0.000	0.000
11	A	17	PRO	0	0.026	0.044	22.973	0.761	0.761	0.000	0.000	0.000	0.000
12	A	18	ALA	0	0.031	0.017	26.560	-0.107	-0.107	0.000	0.000	0.000	0.000
13	A	19	HIS	0	0.038	0.023	29.567	0.448	0.448	0.000	0.000	0.000	0.000
14	A	20	THR	0	-0.001	0.003	32.242	0.028	0.028	0.000	0.000	0.000	0.000
15	A	21	LEU	0	-0.014	-0.014	34.766	0.230	0.230	0.000	0.000	0.000	0.000
16	A	22	PHE	0	0.064	0.028	37.773	0.001	0.001	0.000	0.000	0.000	0.000
17	A	23	PRO	0	0.041	0.017	39.349	0.349	0.349	0.000	0.000	0.000	0.000
18	A	24	GLU	-1	-0.899	-0.960	42.792	-13.864	-13.864	0.000	0.000	0.000	0.000
19	A	25	GLY	0	-0.043	-0.022	45.166	0.243	0.243	0.000	0.000	0.000	0.000
20	A	26	SER	0	-0.063	-0.033	42.347	0.042	0.042	0.000	0.000	0.000	0.000
21	A	27	ALA	0	0.023	0.002	43.634	-0.068	-0.068	0.000	0.000	0.000	0.000
22	A	28	GLU	-1	-0.920	-0.944	37.976	-16.177	-16.177	0.000	0.000	0.000	0.000
23	A	29	GLU	-1	-0.925	-0.960	40.139	-14.752	-14.752	0.000	0.000	0.000	0.000
24	A	30	LYS	1	0.883	0.925	32.843	17.750	17.750	0.000	0.000	0.000	0.000
25	A	31	VAL	0	0.023	0.031	33.829	0.104	0.104	0.000	0.000	0.000	0.000
26	A	32	THR	0	-0.051	-0.050	28.253	-0.328	-0.328	0.000	0.000	0.000	0.000
27	A	33	LEU	0	-0.011	0.017	28.531	0.206	0.206	0.000	0.000	0.000	0.000
28	A	34	THR	0	0.047	0.020	24.295	-0.207	-0.207	0.000	0.000	0.000	0.000
29	A	35	CYS	0	-0.128	-0.070	20.904	-0.739	-0.739	0.000	0.000	0.000	0.000
30	A	36	ARG	1	0.865	0.940	16.125	31.474	31.474	0.000	0.000	0.000	0.000
31	A	37	ALA	0	0.038	0.006	14.475	0.203	0.203	0.000	0.000	0.000	0.000
32	A	38	ARG	1	0.885	0.958	9.359	44.248	44.248	0.000	0.000	0.000	0.000
33	A	39	ALA	0	0.020	0.003	8.756	-0.050	-0.050	0.000	0.000	0.000	0.000
35	A	41	PRO	0	0.045	0.007	6.462	-8.261	-8.261	0.000	0.000	0.000	0.000
36	A	42	PRO	0	0.036	0.022	8.327	0.355	0.355	0.000	0.000	0.000	0.000
37	A	43	ALA	0	-0.008	0.012	10.811	0.509	0.509	0.000	0.000	0.000	0.000
38	A	44	THR	0	-0.058	-0.024	13.758	2.832	2.832	0.000	0.000	0.000	0.000
39	A	45	TYR	0	0.076	0.030	15.995	-0.435	-0.435	0.000	0.000	0.000	0.000
40	A	46	ARG	1	0.843	0.918	20.091	28.495	28.495	0.000	0.000	0.000	0.000
41	A	47	TRP	0	0.027	0.004	23.387	0.042	0.042	0.000	0.000	0.000	0.000
42	A	48	LYS	1	0.904	0.959	24.908	23.769	23.769	0.000	0.000	0.000	0.000
43	A	49	MET	0	0.019	0.016	28.458	-0.009	-0.009	0.000	0.000	0.000	0.000
44	A	50	ASN	0	-0.003	-0.007	32.136	0.036	0.036	0.000	0.000	0.000	0.000
45	A	51	GLY	0	0.053	0.034	29.890	0.318	0.318	0.000	0.000	0.000	0.000
46	A	52	THR	0	-0.044	-0.022	29.433	-0.544	-0.544	0.000	0.000	0.000	0.000
47	A	53	GLU	-1	-0.887	-0.944	24.667	-25.173	-25.173	0.000	0.000	0.000	0.000
48	A	54	LEU	0	0.008	0.012	28.611	0.749	0.749	0.000	0.000	0.000	0.000
49	A	55	LYS	1	0.950	0.979	29.695	19.068	19.068	0.000	0.000	0.000	0.000
50	A	56	MET	0	0.004	0.011	27.379	0.611	0.611	0.000	0.000	0.000	0.000
51	A	57	GLY	0	-0.002	-0.010	30.781	0.197	0.197	0.000	0.000	0.000	0.000
52	A	58	PRO	0	-0.027	-0.007	32.320	-0.105	-0.105	0.000	0.000	0.000	0.000
53	A	59	ASP	-1	-0.892	-0.946	33.925	-16.692	-16.692	0.000	0.000	0.000	0.000
54	A	60	SER	0	-0.082	-0.042	33.440	0.450	0.450	0.000	0.000	0.000	0.000
55	A	61	ARG	1	0.770	0.832	35.116	16.535	16.535	0.000	0.000	0.000	0.000
56	A	62	TYR	0	0.004	0.011	30.976	-0.067	-0.067	0.000	0.000	0.000	0.000
57	A	63	ARG	1	0.982	0.979	28.389	20.469	20.469	0.000	0.000	0.000	0.000
58	A	64	LEU	0	0.012	0.008	23.269	0.013	0.013	0.000	0.000	0.000	0.000
59	A	65	VAL	0	-0.045	-0.032	24.371	0.279	0.279	0.000	0.000	0.000	0.000
60	A	66	ALA	0	-0.019	-0.015	19.463	-0.263	-0.263	0.000	0.000	0.000	0.000
61	A	67	GLY	0	0.045	0.031	19.601	-1.231	-1.231	0.000	0.000	0.000	0.000
62	A	68	ASP	-1	-0.803	-0.886	20.882	-24.833	-24.833	0.000	0.000	0.000	0.000
63	A	69	LEU	0	-0.051	-0.021	24.272	0.050	0.050	0.000	0.000	0.000	0.000
64	A	70	VAL	0	-0.025	-0.016	27.438	0.601	0.601	0.000	0.000	0.000	0.000
65	A	71	ILE	0	-0.001	-0.005	30.521	-0.067	-0.067	0.000	0.000	0.000	0.000
66	A	72	SER	0	0.010	-0.004	33.899	0.312	0.312	0.000	0.000	0.000	0.000
67	A	73	ASN	0	0.006	-0.011	36.707	0.293	0.293	0.000	0.000	0.000	0.000
68	A	74	PRO	0	-0.027	0.020	37.339	0.085	0.085	0.000	0.000	0.000	0.000
69	A	75	VAL	0	0.016	0.001	39.704	0.482	0.482	0.000	0.000	0.000	0.000
70	A	76	LYS	1	1.020	1.016	41.710	13.489	13.489	0.000	0.000	0.000	0.000
71	A	77	ALA	0	-0.046	-0.043	42.629	-0.161	-0.161	0.000	0.000	0.000	0.000
72	A	78	LYS	1	0.915	0.956	40.932	14.654	14.654	0.000	0.000	0.000	0.000
73	A	79	ASP	-1	-0.714	-0.811	36.945	-17.085	-17.085	0.000	0.000	0.000	0.000
74	A	80	ALA	0	0.012	0.021	37.193	-0.421	-0.421	0.000	0.000	0.000	0.000
75	A	81	GLY	0	-0.014	-0.006	36.770	0.170	0.170	0.000	0.000	0.000	0.000
76	A	82	SER	0	-0.070	-0.044	32.043	-0.151	-0.151	0.000	0.000	0.000	0.000
77	A	83	TYR	0	-0.021	-0.036	29.717	-0.151	-0.151	0.000	0.000	0.000	0.000
78	A	84	GLN	0	-0.028	-0.019	24.713	0.043	0.043	0.000	0.000	0.000	0.000
79	A	86	VAL	0	0.022	0.007	19.556	-0.324	-0.324	0.000	0.000	0.000	0.000
80	A	87	ALA	0	0.031	0.021	16.082	0.017	0.017	0.000	0.000	0.000	0.000
81	A	88	THR	0	0.014	0.017	14.531	-0.343	-0.343	0.000	0.000	0.000	0.000
82	A	89	ASN	0	-0.008	-0.016	8.288	2.230	2.230	0.000	0.000	0.000	0.000
83	A	90	ALA	0	-0.016	-0.017	8.205	1.050	1.050	0.000	0.000	0.000	0.000
85	A	92	GLY	0	0.083	0.058	8.084	1.480	1.480	0.000	0.000	0.000	0.000
86	A	93	THR	0	-0.077	-0.064	11.811	-0.800	-0.800	0.000	0.000	0.000	0.000
87	A	94	VAL	0	0.007	0.006	14.870	0.665	0.665	0.000	0.000	0.000	0.000
88	A	95	VAL	0	-0.022	-0.018	17.402	0.478	0.478	0.000	0.000	0.000	0.000
89	A	96	SER	0	-0.012	-0.011	20.996	-0.370	-0.370	0.000	0.000	0.000	0.000
90	A	97	ARG	1	0.900	0.935	22.546	24.363	24.363	0.000	0.000	0.000	0.000
91	A	98	GLU	-1	-0.866	-0.902	25.684	-20.961	-20.961	0.000	0.000	0.000	0.000
92	A	99	ALA	0	-0.041	-0.012	28.811	0.287	0.287	0.000	0.000	0.000	0.000
93	A	100	SER	0	-0.031	-0.029	31.069	0.394	0.394	0.000	0.000	0.000	0.000
94	A	101	LEU	0	0.002	0.020	34.256	0.005	0.005	0.000	0.000	0.000	0.000
95	A	102	ARG	1	0.888	0.930	35.792	16.669	16.669	0.000	0.000	0.000	0.000
96	A	103	PHE	0	0.032	0.018	39.156	-0.182	-0.182	0.000	0.000	0.000	0.000
97	A	104	GLY	0	0.004	0.004	42.157	0.205	0.205	0.000	0.000	0.000	0.000
98	A	105	PHE	0	-0.045	-0.010	44.320	0.079	0.079	0.000	0.000	0.000	0.000
99	A	106	LEU	0	0.035	0.008	47.952	0.014	0.014	0.000	0.000	0.000	0.000
100	A	107	GLN	0	-0.013	0.001	51.474	0.227	0.227	0.000	0.000	0.000	0.000
101	A	108	GLU	-1	-0.794	-0.907	54.650	-11.167	-11.167	0.000	0.000	0.000	0.000
102	A	109	PHE	0	-0.031	-0.018	58.041	-0.011	-0.011	0.000	0.000	0.000	0.000
103	A	110	SER	0	-0.008	-0.004	60.726	0.045	0.045	0.000	0.000	0.000	0.000
104	A	111	ALA	0	0.031	0.016	63.490	0.053	0.053	0.000	0.000	0.000	0.000
105	A	112	GLU	-1	-0.939	-0.962	66.051	-9.087	-9.087	0.000	0.000	0.000	0.000
106	A	113	GLU	-1	-0.866	-0.925	68.431	-9.031	-9.031	0.000	0.000	0.000	0.000
107	A	114	ARG	1	0.816	0.902	63.291	9.788	9.788	0.000	0.000	0.000	0.000
108	A	115	ASP	-1	-0.900	-0.939	70.912	-8.765	-8.765	0.000	0.000	0.000	0.000
109	A	116	PRO	0	-0.055	-0.029	73.121	-0.067	-0.067	0.000	0.000	0.000	0.000
110	A	117	VAL	0	0.017	0.006	72.500	0.007	0.007	0.000	0.000	0.000	0.000
111	A	118	LYS	1	0.912	0.959	75.788	7.777	7.777	0.000	0.000	0.000	0.000
112	A	119	ILE	0	-0.009	0.010	76.411	-0.027	-0.027	0.000	0.000	0.000	0.000
113	A	120	THR	0	-0.010	-0.004	79.127	0.077	0.077	0.000	0.000	0.000	0.000
114	A	121	GLU	-1	-0.795	-0.885	80.059	-7.964	-7.964	0.000	0.000	0.000	0.000
115	A	122	GLY	0	0.063	0.042	79.383	0.099	0.099	0.000	0.000	0.000	0.000
116	A	123	TRP	0	-0.034	-0.014	77.490	-0.083	-0.083	0.000	0.000	0.000	0.000
117	A	124	GLY	0	0.035	0.037	73.523	-0.031	-0.031	0.000	0.000	0.000	0.000
118	A	125	VAL	0	-0.034	-0.024	71.810	0.073	0.073	0.000	0.000	0.000	0.000
119	A	126	MET	0	-0.034	-0.022	66.255	-0.168	-0.168	0.000	0.000	0.000	0.000
120	A	127	PHE	0	0.018	0.017	67.274	0.107	0.107	0.000	0.000	0.000	0.000
121	A	128	THR	0	0.010	-0.009	63.987	-0.139	-0.139	0.000	0.000	0.000	0.000
122	A	129	CYS	0	-0.032	0.020	60.203	-0.093	-0.093	0.000	0.000	0.000	0.000
123	A	130	SER	0	0.028	0.000	61.486	0.037	0.037	0.000	0.000	0.000	0.000
124	A	131	PRO	0	0.018	0.015	56.510	0.071	0.071	0.000	0.000	0.000	0.000
125	A	132	PRO	0	0.014	0.029	55.966	0.009	0.009	0.000	0.000	0.000	0.000
126	A	133	PRO	0	-0.006	-0.010	53.648	-0.198	-0.198	0.000	0.000	0.000	0.000
127	A	134	HIS	0	-0.039	-0.036	50.038	-0.103	-0.103	0.000	0.000	0.000	0.000
128	A	135	TYR	0	-0.046	-0.001	41.961	-0.251	-0.251	0.000	0.000	0.000	0.000
129	A	136	PRO	0	0.044	0.017	43.960	-0.108	-0.108	0.000	0.000	0.000	0.000
130	A	137	ALA	0	0.023	-0.004	46.044	0.244	0.244	0.000	0.000	0.000	0.000
131	A	138	LEU	0	-0.022	0.000	48.468	-0.142	-0.142	0.000	0.000	0.000	0.000
132	A	139	SER	0	0.004	0.016	51.204	0.077	0.077	0.000	0.000	0.000	0.000
133	A	140	TYR	0	0.024	0.004	52.795	0.095	0.095	0.000	0.000	0.000	0.000
134	A	141	ARG	1	0.917	0.968	56.613	10.768	10.768	0.000	0.000	0.000	0.000
135	A	142	TRP	0	0.035	-0.004	59.681	0.081	0.081	0.000	0.000	0.000	0.000
136	A	143	LEU	0	-0.055	-0.005	62.669	-0.029	-0.029	0.000	0.000	0.000	0.000
137	A	144	LEU	0	0.022	0.005	65.448	0.063	0.063	0.000	0.000	0.000	0.000
138	A	145	ASN	0	0.007	0.004	69.193	0.059	0.059	0.000	0.000	0.000	0.000
139	A	146	GLU	-1	-0.855	-0.927	68.636	-8.965	-8.965	0.000	0.000	0.000	0.000
140	A	147	PHE	0	-0.010	0.015	59.605	-0.126	-0.126	0.000	0.000	0.000	0.000
141	A	148	PRO	0	-0.043	-0.022	62.366	0.093	0.093	0.000	0.000	0.000	0.000
142	A	149	ASN	0	-0.001	-0.017	63.952	-0.146	-0.146	0.000	0.000	0.000	0.000
143	A	150	PHE	0	-0.037	-0.036	59.221	-0.003	-0.003	0.000	0.000	0.000	0.000
144	A	151	ILE	0	-0.005	0.002	64.033	0.078	0.078	0.000	0.000	0.000	0.000
145	A	152	PRO	0	-0.062	-0.022	63.428	-0.194	-0.194	0.000	0.000	0.000	0.000
146	A	153	ALA	0	0.009	-0.002	61.387	0.075	0.075	0.000	0.000	0.000	0.000
147	A	154	ASP	-1	-0.801	-0.894	63.382	-9.349	-9.349	0.000	0.000	0.000	0.000
148	A	155	GLY	0	0.037	0.024	65.680	0.124	0.124	0.000	0.000	0.000	0.000
149	A	156	ARG	1	0.730	0.838	67.028	8.710	8.710	0.000	0.000	0.000	0.000
150	A	157	ARG	1	0.878	0.923	67.016	9.180	9.180	0.000	0.000	0.000	0.000
151	A	158	PHE	0	0.005	0.002	59.094	-0.098	-0.098	0.000	0.000	0.000	0.000
152	A	159	VAL	0	-0.013	-0.002	59.391	0.100	0.100	0.000	0.000	0.000	0.000
153	A	160	SER	0	-0.057	-0.031	58.485	-0.177	-0.177	0.000	0.000	0.000	0.000
154	A	161	GLN	0	-0.022	-0.045	53.716	-0.198	-0.198	0.000	0.000	0.000	0.000
155	A	162	THR	0	-0.048	-0.029	53.721	-0.144	-0.144	0.000	0.000	0.000	0.000
156	A	163	THR	0	-0.017	-0.017	55.254	0.004	0.004	0.000	0.000	0.000	0.000
157	A	164	GLY	0	0.071	0.019	57.792	0.068	0.068	0.000	0.000	0.000	0.000
158	A	165	ASN	0	-0.008	0.001	58.926	0.127	0.127	0.000	0.000	0.000	0.000
159	A	166	LEU	0	0.008	0.027	62.504	-0.083	-0.083	0.000	0.000	0.000	0.000
160	A	167	TYR	0	-0.017	-0.020	62.628	0.096	0.096	0.000	0.000	0.000	0.000
161	A	168	ILE	0	0.015	0.003	66.963	-0.049	-0.049	0.000	0.000	0.000	0.000
162	A	169	ALA	0	0.003	0.006	69.796	0.088	0.088	0.000	0.000	0.000	0.000
163	A	170	LYS	1	0.841	0.908	71.336	8.326	8.326	0.000	0.000	0.000	0.000
164	A	171	THR	0	-0.013	-0.016	74.549	-0.018	-0.018	0.000	0.000	0.000	0.000
165	A	172	GLU	-1	-0.843	-0.924	76.155	-8.284	-8.284	0.000	0.000	0.000	0.000
166	A	173	ALA	0	0.054	0.019	77.791	-0.081	-0.081	0.000	0.000	0.000	0.000
167	A	174	SER	0	-0.046	-0.028	75.458	0.011	0.011	0.000	0.000	0.000	0.000
168	A	175	ASP	-1	-0.798	-0.864	73.909	-8.779	-8.779	0.000	0.000	0.000	0.000
169	A	176	LEU	0	-0.022	0.008	75.163	-0.061	-0.061	0.000	0.000	0.000	0.000
170	A	177	GLY	0	0.035	0.024	74.909	0.004	0.004	0.000	0.000	0.000	0.000
171	A	178	ASN	0	-0.046	-0.029	72.629	0.032	0.032	0.000	0.000	0.000	0.000
172	A	179	TYR	0	-0.020	-0.025	68.676	-0.139	-0.139	0.000	0.000	0.000	0.000
173	A	180	SER	0	-0.031	-0.014	64.677	-0.038	-0.038	0.000	0.000	0.000	0.000
174	A	182	PHE	0	0.029	-0.006	56.312	-0.019	-0.019	0.000	0.000	0.000	0.000
175	A	183	ALA	0	0.017	0.002	55.463	-0.053	-0.053	0.000	0.000	0.000	0.000
176	A	184	THR	0	-0.004	-0.017	50.786	0.071	0.071	0.000	0.000	0.000	0.000
177	A	185	SER	0	0.015	0.009	47.801	-0.202	-0.202	0.000	0.000	0.000	0.000
178	A	186	HIS	0	-0.037	-0.029	43.839	0.316	0.316	0.000	0.000	0.000	0.000
179	A	187	ILE	0	-0.016	-0.003	40.725	-0.170	-0.170	0.000	0.000	0.000	0.000
180	A	188	ASP	-1	-0.870	-0.934	38.123	-16.203	-16.203	0.000	0.000	0.000	0.000
181	A	189	PHE	0	-0.019	-0.013	37.762	0.223	0.223	0.000	0.000	0.000	0.000
182	A	190	ILE	0	-0.019	0.003	42.340	0.373	0.373	0.000	0.000	0.000	0.000
183	A	191	THR	0	0.011	-0.004	45.133	-0.023	-0.023	0.000	0.000	0.000	0.000
184	A	192	LYS	1	0.816	0.912	48.447	12.026	12.026	0.000	0.000	0.000	0.000
185	A	193	SER	0	-0.002	0.003	51.146	-0.067	-0.067	0.000	0.000	0.000	0.000
186	A	194	VAL	0	-0.015	0.008	54.489	0.058	0.058	0.000	0.000	0.000	0.000
187	A	195	PHE	0	-0.009	-0.020	57.475	-0.019	-0.019	0.000	0.000	0.000	0.000
188	A	196	SER	0	-0.023	-0.007	60.945	0.015	0.015	0.000	0.000	0.000	0.000
189	A	197	LYS	1	0.879	0.940	63.822	9.301	9.301	0.000	0.000	0.000	0.000
190	A	198	PHE	0	-0.005	-0.007	66.664	-0.078	-0.078	0.000	0.000	0.000	0.000
191	A	199	SER	0	0.017	0.012	69.565	0.078	0.078	0.000	0.000	0.000	0.000
192	A	200	GLN	0	0.001	0.002	71.796	0.018	0.018	0.000	0.000	0.000	0.000
193	A	201	LEU	0	-0.021	0.007	74.091	0.016	0.016	0.000	0.000	0.000	0.000
194	A	202	SER	0	-0.050	-0.036	75.876	0.122	0.122	0.000	0.000	0.000	0.000
195	A	203	LEU	0	0.063	0.014	78.047	-0.053	-0.053	0.000	0.000	0.000	0.000
196	A	204	ALA	0	-0.066	-0.045	81.461	0.112	0.112	0.000	0.000	0.000	0.000
197	A	205	ALA	0	-0.005	-0.017	84.088	-0.043	-0.043	0.000	0.000	0.000	0.000
198	A	206	GLU	-1	-0.900	-0.951	83.620	-7.616	-7.616	0.000	0.000	0.000	0.000
199	A	207	ASP	-1	-0.798	-0.859	83.051	-7.559	-7.559	0.000	0.000	0.000	0.000
200	A	208	ALA	0	0.025	0.015	83.258	-0.092	-0.092	0.000	0.000	0.000	0.000
201	A	209	ARG	1	0.755	0.843	84.542	7.535	7.535	0.000	0.000	0.000	0.000
202	A	210	GLN	0	0.011	0.003	81.413	-0.075	-0.075	0.000	0.000	0.000	0.000
203	A	211	TYR	0	-0.075	-0.053	76.016	0.037	0.037	0.000	0.000	0.000	0.000
204	A	212	ALA	0	0.024	0.014	76.794	-0.072	-0.072	0.000	0.000	0.000	0.000
205	A	213	PRO	0	-0.018	0.001	71.720	0.006	0.006	0.000	0.000	0.000	0.000
206	A	214	SER	0	-0.036	-0.015	71.501	0.015	0.015	0.000	0.000	0.000	0.000
207	A	215	ILE	0	-0.013	-0.022	64.786	-0.012	-0.012	0.000	0.000	0.000	0.000
208	A	216	LYS	1	0.793	0.905	66.980	9.057	9.057	0.000	0.000	0.000	0.000
209	A	217	ALA	0	0.011	0.021	61.879	-0.088	-0.088	0.000	0.000	0.000	0.000
210	A	218	LYS	1	0.927	0.955	61.161	10.066	10.066	0.000	0.000	0.000	0.000
211	A	219	PHE	0	0.039	0.047	55.838	-0.095	-0.095	0.000	0.000	0.000	0.000
212	A	220	PRO	0	0.031	0.006	53.155	0.200	0.200	0.000	0.000	0.000	0.000
213	A	221	ALA	0	0.032	0.013	55.963	-0.014	-0.014	0.000	0.000	0.000	0.000
214	A	222	ASP	-1	-0.822	-0.869	51.835	-11.850	-11.850	0.000	0.000	0.000	0.000
215	A	223	THR	0	-0.014	-0.003	49.446	-0.064	-0.064	0.000	0.000	0.000	0.000
216	A	224	TYR	0	-0.041	-0.024	45.546	-0.026	-0.026	0.000	0.000	0.000	0.000
217	A	225	ALA	0	-0.004	0.008	44.715	0.018	0.018	0.000	0.000	0.000	0.000
218	A	226	LEU	0	-0.025	-0.016	38.268	-0.088	-0.088	0.000	0.000	0.000	0.000
219	A	227	THR	0	0.032	0.011	37.746	0.154	0.154	0.000	0.000	0.000	0.000
220	A	228	GLY	0	0.009	0.011	38.450	-0.469	-0.469	0.000	0.000	0.000	0.000
221	A	229	GLN	0	-0.072	-0.027	39.531	-0.162	-0.162	0.000	0.000	0.000	0.000
222	A	230	MET	0	0.001	0.025	41.764	0.144	0.144	0.000	0.000	0.000	0.000
223	A	231	VAL	0	-0.016	-0.013	44.934	-0.053	-0.053	0.000	0.000	0.000	0.000
224	A	232	THR	0	-0.001	-0.009	48.146	0.065	0.065	0.000	0.000	0.000	0.000
225	A	233	LEU	0	-0.046	-0.012	51.497	-0.018	-0.018	0.000	0.000	0.000	0.000
226	A	234	GLU	-1	-0.714	-0.835	54.792	-11.078	-11.078	0.000	0.000	0.000	0.000
227	A	235	CYS	0	-0.085	-0.026	58.058	0.071	0.071	0.000	0.000	0.000	0.000
228	A	236	PHE	0	0.038	0.024	61.708	0.034	0.034	0.000	0.000	0.000	0.000
229	A	237	ALA	0	0.003	0.005	64.869	0.020	0.020	0.000	0.000	0.000	0.000
230	A	238	PHE	0	0.001	0.010	68.592	0.038	0.038	0.000	0.000	0.000	0.000
231	A	239	GLY	0	0.035	-0.007	72.044	-0.026	-0.026	0.000	0.000	0.000	0.000
232	A	240	ASN	0	-0.022	0.020	74.837	-0.063	-0.063	0.000	0.000	0.000	0.000
233	A	241	PRO	0	0.033	-0.015	76.752	0.093	0.093	0.000	0.000	0.000	0.000
234	A	242	VAL	0	0.034	0.022	71.083	-0.028	-0.028	0.000	0.000	0.000	0.000
235	A	243	PRO	0	-0.064	-0.016	70.036	0.029	0.029	0.000	0.000	0.000	0.000
236	A	244	GLN	0	0.010	0.009	68.531	-0.161	-0.161	0.000	0.000	0.000	0.000
237	A	245	ILE	0	0.005	-0.003	62.876	0.056	0.056	0.000	0.000	0.000	0.000
238	A	246	LYS	1	0.861	0.935	63.444	9.327	9.327	0.000	0.000	0.000	0.000
239	A	247	TRP	0	-0.019	-0.004	57.896	-0.055	-0.055	0.000	0.000	0.000	0.000
240	A	248	ARG	1	0.857	0.907	59.338	10.026	10.026	0.000	0.000	0.000	0.000
241	A	249	LYS	1	0.867	0.946	51.188	12.300	12.300	0.000	0.000	0.000	0.000
242	A	250	LEU	0	-0.065	-0.030	57.318	0.184	0.184	0.000	0.000	0.000	0.000
243	A	251	ASP	-1	-0.737	-0.859	56.987	-11.062	-11.062	0.000	0.000	0.000	0.000
244	A	252	GLY	0	0.003	-0.001	58.232	0.158	0.158	0.000	0.000	0.000	0.000
245	A	253	SER	0	-0.104	-0.056	59.130	0.155	0.155	0.000	0.000	0.000	0.000
246	A	254	GLN	0	-0.008	0.001	61.728	0.142	0.142	0.000	0.000	0.000	0.000
247	A	255	THR	0	-0.021	-0.025	62.513	0.107	0.107	0.000	0.000	0.000	0.000
248	A	256	SER	0	-0.010	-0.002	63.520	-0.112	-0.112	0.000	0.000	0.000	0.000
249	A	257	LYS	1	0.861	0.927	58.094	10.675	10.675	0.000	0.000	0.000	0.000
250	A	258	TRP	0	-0.010	-0.018	60.764	0.029	0.029	0.000	0.000	0.000	0.000
251	A	259	LEU	0	-0.015	-0.007	54.566	-0.087	-0.087	0.000	0.000	0.000	0.000
252	A	260	SER	0	-0.020	-0.025	56.722	-0.090	-0.090	0.000	0.000	0.000	0.000
253	A	261	SER	0	-0.025	-0.022	59.075	0.153	0.153	0.000	0.000	0.000	0.000
254	A	262	GLU	-1	-0.857	-0.909	59.439	-10.090	-10.090	0.000	0.000	0.000	0.000
255	A	263	PRO	0	0.000	-0.015	61.044	-0.061	-0.061	0.000	0.000	0.000	0.000
256	A	264	LEU	0	-0.023	-0.002	55.184	-0.110	-0.110	0.000	0.000	0.000	0.000
257	A	265	LEU	0	0.010	0.033	54.095	0.088	0.088	0.000	0.000	0.000	0.000
258	A	266	HIS	0	0.029	0.006	50.759	-0.311	-0.311	0.000	0.000	0.000	0.000
259	A	267	ILE	0	0.010	0.009	48.076	0.135	0.135	0.000	0.000	0.000	0.000
260	A	268	GLN	0	0.000	-0.027	45.323	-0.431	-0.431	0.000	0.000	0.000	0.000
261	A	269	ASN	0	-0.027	-0.011	39.869	-0.260	-0.260	0.000	0.000	0.000	0.000
262	A	270	VAL	0	-0.005	0.010	42.809	0.036	0.036	0.000	0.000	0.000	0.000
263	A	271	ASP	-1	-0.781	-0.892	40.411	-16.067	-16.067	0.000	0.000	0.000	0.000
264	A	272	PHE	0	-0.046	-0.045	39.071	0.368	0.368	0.000	0.000	0.000	0.000
265	A	273	GLU	-1	-0.907	-0.945	44.446	-13.904	-13.904	0.000	0.000	0.000	0.000
266	A	274	ASP	-1	-0.856	-0.929	46.663	-12.964	-12.964	0.000	0.000	0.000	0.000
267	A	275	GLU	-1	-0.859	-0.911	46.853	-13.293	-13.293	0.000	0.000	0.000	0.000
268	A	276	GLY	0	0.004	0.002	49.368	0.181	0.181	0.000	0.000	0.000	0.000
269	A	277	THR	0	-0.038	-0.029	53.107	-0.115	-0.115	0.000	0.000	0.000	0.000
270	A	278	TYR	0	-0.007	-0.024	51.185	0.112	0.112	0.000	0.000	0.000	0.000
271	A	279	GLU	-1	-0.810	-0.887	57.531	-9.821	-9.821	0.000	0.000	0.000	0.000
272	A	281	GLU	-1	-0.787	-0.887	62.620	-9.282	-9.282	0.000	0.000	0.000	0.000
273	A	282	ALA	0	0.029	0.008	66.021	-0.073	-0.073	0.000	0.000	0.000	0.000
274	A	283	GLU	-1	-0.879	-0.951	68.474	-8.842	-8.842	0.000	0.000	0.000	0.000
275	A	284	ASN	0	0.012	-0.014	71.700	0.019	0.019	0.000	0.000	0.000	0.000
276	A	285	ILE	0	0.016	-0.004	74.961	0.021	0.021	0.000	0.000	0.000	0.000
277	A	286	LYS	1	0.839	0.940	78.010	7.891	7.891	0.000	0.000	0.000	0.000
278	A	287	GLY	0	0.000	0.003	76.743	0.065	0.065	0.000	0.000	0.000	0.000
279	A	288	ARG	1	0.854	0.909	68.330	9.158	9.158	0.000	0.000	0.000	0.000
280	A	289	ASP	-1	-0.814	-0.887	69.995	-9.208	-9.208	0.000	0.000	0.000	0.000
281	A	290	THR	0	-0.049	-0.036	66.366	-0.058	-0.058	0.000	0.000	0.000	0.000
282	A	291	TYR	0	-0.048	-0.033	59.443	0.150	0.150	0.000	0.000	0.000	0.000
283	A	292	GLN	0	-0.041	-0.038	60.851	-0.168	-0.168	0.000	0.000	0.000	0.000
284	A	293	GLY	0	0.007	0.009	57.608	0.057	0.057	0.000	0.000	0.000	0.000
285	A	294	ARG	1	0.785	0.853	53.130	11.507	11.507	0.000	0.000	0.000	0.000
286	A	295	ILE	0	0.033	0.030	48.609	-0.049	-0.049	0.000	0.000	0.000	0.000
287	A	296	ILE	0	-0.056	-0.028	46.583	0.028	0.028	0.000	0.000	0.000	0.000
288	A	297	ILE	0	0.037	0.028	42.855	-0.151	-0.151	0.000	0.000	0.000	0.000
289	A	298	HIS	0	0.005	-0.020	41.144	-0.233	-0.233	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.074	0.034	36.786	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	300	GLN	0	-0.021	-0.021	33.641	-0.120	-0.120	0.000	0.000	0.000	0.000
292	A	301	PRO	0	-0.061	-0.029	30.505	0.072	0.072	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.853	-0.920	28.481	-21.792	-21.792	0.000	0.000	0.000	0.000
294	A	303	TRP	0	-0.077	-0.055	23.601	0.469	0.469	0.000	0.000	0.000	0.000
295	A	304	LEU	0	-0.049	-0.015	26.946	0.315	0.315	0.000	0.000	0.000	0.000
296	A	305	ASP	-1	-0.875	-0.934	24.340	-23.380	-23.380	0.000	0.000	0.000	0.000
297	A	306	VAL	0	-0.025	-0.038	19.727	0.286	0.286	0.000	0.000	0.000	0.000
298	A	307	ILE	0	0.001	0.000	17.075	-0.286	-0.286	0.000	0.000	0.000	0.000
299	A	308	THR	0	-0.013	-0.011	14.668	-0.441	-0.441	0.000	0.000	0.000	0.000
300	A	309	ASP	-1	-0.855	-0.925	9.439	-50.742	-50.742	0.000	0.000	0.000	0.000
301	A	310	THR	0	-0.060	-0.026	11.387	1.856	1.856	0.000	0.000	0.000	0.000
302	A	311	GLU	-1	-0.909	-0.944	7.336	-68.805	-68.805	0.000	0.000	0.000	0.000
303	A	312	ALA	0	-0.025	-0.020	10.425	3.633	3.633	0.000	0.000	0.000	0.000
304	A	313	ASP	-1	-0.873	-0.922	11.720	-41.085	-41.085	0.000	0.000	0.000	0.000
305	A	314	ILE	0	-0.013	-0.013	13.577	2.085	2.085	0.000	0.000	0.000	0.000
306	A	315	GLY	0	-0.057	-0.033	14.960	1.410	1.410	0.000	0.000	0.000	0.000
307	A	316	SER	0	-0.027	-0.011	16.769	1.926	1.926	0.000	0.000	0.000	0.000
308	A	317	ASP	-1	-0.893	-0.937	18.348	-25.393	-25.393	0.000	0.000	0.000	0.000
309	A	318	LEU	0	-0.037	-0.014	15.066	-0.511	-0.511	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.937	0.959	19.129	27.834	27.834	0.000	0.000	0.000	0.000
311	A	320	TRP	0	0.019	0.005	13.641	-0.205	-0.205	0.000	0.000	0.000	0.000
312	A	321	SER	0	0.012	0.000	20.754	0.808	0.808	0.000	0.000	0.000	0.000
313	A	322	CYS	0	-0.080	0.016	19.078	-0.569	-0.569	0.000	0.000	0.000	0.000
314	A	323	VAL	0	0.006	0.015	24.523	1.012	1.012	0.000	0.000	0.000	0.000
315	A	324	ALA	0	0.010	0.009	27.489	-0.437	-0.437	0.000	0.000	0.000	0.000
316	A	325	SER	0	-0.024	0.002	29.649	0.856	0.856	0.000	0.000	0.000	0.000
317	A	326	GLY	0	0.086	0.015	32.731	-0.378	-0.378	0.000	0.000	0.000	0.000
318	A	327	LYS	1	0.768	0.913	35.514	14.549	14.549	0.000	0.000	0.000	0.000
319	A	328	PRO	0	0.013	-0.020	39.200	0.151	0.151	0.000	0.000	0.000	0.000
320	A	329	ARG	1	0.984	1.002	35.884	16.675	16.675	0.000	0.000	0.000	0.000
321	A	330	PRO	0	-0.013	0.011	31.949	0.287	0.287	0.000	0.000	0.000	0.000
322	A	331	ALA	0	-0.019	0.000	32.888	-0.008	-0.008	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.020	-0.012	26.457	-0.314	-0.314	0.000	0.000	0.000	0.000
324	A	333	ARG	1	0.829	0.899	26.525	21.596	21.596	0.000	0.000	0.000	0.000
325	A	334	TRP	0	0.022	0.000	19.798	-1.187	-1.187	0.000	0.000	0.000	0.000
326	A	335	LEU	0	-0.055	-0.023	20.204	0.924	0.924	0.000	0.000	0.000	0.000
327	A	336	ARG	1	0.941	0.972	15.702	29.013	29.013	0.000	0.000	0.000	0.000
328	A	337	ASP	-1	-0.772	-0.896	13.566	-38.788	-38.788	0.000	0.000	0.000	0.000
329	A	338	GLY	0	-0.028	-0.021	16.427	1.042	1.042	0.000	0.000	0.000	0.000
330	A	339	GLN	0	-0.058	-0.016	19.767	2.644	2.644	0.000	0.000	0.000	0.000
331	A	340	PRO	0	-0.008	-0.014	21.455	-0.587	-0.587	0.000	0.000	0.000	0.000
332	A	341	LEU	0	-0.021	0.006	19.352	-0.023	-0.023	0.000	0.000	0.000	0.000
333	A	342	ALA	0	0.026	0.003	23.019	0.579	0.579	0.000	0.000	0.000	0.000
334	A	343	SER	0	0.026	0.007	24.930	-0.846	-0.846	0.000	0.000	0.000	0.000
335	A	344	GLN	0	-0.012	-0.008	21.567	-0.393	-0.393	0.000	0.000	0.000	0.000
336	A	345	ASN	0	-0.057	-0.039	23.735	-0.563	-0.563	0.000	0.000	0.000	0.000
337	A	346	ARG	1	0.835	0.903	17.997	29.189	29.189	0.000	0.000	0.000	0.000
338	A	347	ILE	0	-0.025	0.002	18.948	-0.485	-0.485	0.000	0.000	0.000	0.000
339	A	348	GLU	-1	-0.848	-0.900	22.850	-19.599	-19.599	0.000	0.000	0.000	0.000
340	A	349	VAL	0	-0.012	-0.013	23.674	-0.806	-0.806	0.000	0.000	0.000	0.000
341	A	350	SER	0	-0.017	-0.008	26.121	1.045	1.045	0.000	0.000	0.000	0.000
342	A	351	GLY	0	0.024	0.012	29.041	0.004	0.004	0.000	0.000	0.000	0.000
343	A	352	GLY	0	0.049	0.021	27.245	-0.633	-0.633	0.000	0.000	0.000	0.000
344	A	353	GLU	-1	-0.947	-0.974	25.159	-22.440	-22.440	0.000	0.000	0.000	0.000
345	A	354	LEU	0	-0.021	-0.002	18.892	0.459	0.459	0.000	0.000	0.000	0.000
346	A	355	ARG	1	0.829	0.893	21.847	20.617	20.617	0.000	0.000	0.000	0.000
347	A	356	PHE	0	0.023	0.009	16.757	0.528	0.528	0.000	0.000	0.000	0.000
348	A	357	SER	0	0.007	0.000	20.556	0.373	0.373	0.000	0.000	0.000	0.000
349	A	358	LYS	1	0.895	0.927	19.998	22.943	22.943	0.000	0.000	0.000	0.000
350	A	359	LEU	0	0.020	0.025	14.071	0.242	0.242	0.000	0.000	0.000	0.000
351	A	360	VAL	0	-0.011	-0.008	15.231	0.387	0.387	0.000	0.000	0.000	0.000
352	A	361	LEU	0	0.049	0.013	10.192	-0.703	-0.703	0.000	0.000	0.000	0.000
353	A	362	GLU	-1	-0.966	-0.973	10.619	-35.330	-35.330	0.000	0.000	0.000	0.000
354	A	363	ASP	-1	-0.755	-0.838	13.101	-30.958	-30.958	0.000	0.000	0.000	0.000
355	A	364	SER	0	-0.017	-0.004	8.054	-0.771	-0.771	0.000	0.000	0.000	0.000
356	A	365	GLY	0	0.023	0.023	10.024	0.846	0.846	0.000	0.000	0.000	0.000
357	A	366	MET	0	-0.077	-0.004	10.746	-3.115	-3.115	0.000	0.000	0.000	0.000
358	A	367	TYR	0	-0.026	-0.037	12.741	4.575	4.575	0.000	0.000	0.000	0.000
359	A	368	GLN	0	0.005	-0.017	15.877	-0.989	-0.989	0.000	0.000	0.000	0.000
360	A	370	VAL	0	0.010	-0.012	22.392	-0.292	-0.292	0.000	0.000	0.000	0.000
361	A	371	ALA	0	0.014	0.021	25.428	0.694	0.694	0.000	0.000	0.000	0.000
362	A	372	GLU	-1	-0.818	-0.889	28.615	-19.516	-19.516	0.000	0.000	0.000	0.000
363	A	373	ASN	0	-0.025	-0.036	31.917	0.352	0.352	0.000	0.000	0.000	0.000
364	A	374	LYS	1	0.935	0.959	35.602	14.357	14.357	0.000	0.000	0.000	0.000
365	A	375	HIS	0	-0.020	-0.008	37.220	0.255	0.255	0.000	0.000	0.000	0.000
366	A	376	GLY	0	0.010	0.016	33.585	-0.067	-0.067	0.000	0.000	0.000	0.000
367	A	377	THR	0	-0.008	-0.012	28.012	0.305	0.305	0.000	0.000	0.000	0.000
368	A	378	VAL	0	-0.015	0.010	26.223	-0.280	-0.280	0.000	0.000	0.000	0.000
369	A	379	TYR	0	0.019	-0.008	22.022	0.010	0.010	0.000	0.000	0.000	0.000
370	A	380	ALA	0	0.028	0.025	19.868	-0.068	-0.068	0.000	0.000	0.000	0.000
371	A	381	SER	0	-0.057	-0.041	15.435	0.754	0.754	0.000	0.000	0.000	0.000
372	A	382	ALA	0	0.025	0.027	13.187	-0.318	-0.318	0.000	0.000	0.000	0.000
373	A	383	GLU	-1	-0.816	-0.918	6.116	-76.406	-76.406	0.000	0.000	0.000	0.000
374	A	384	LEU	0	-0.042	-0.010	10.595	0.798	0.798	0.000	0.000	0.000	0.000
375	A	385	THR	0	-0.028	-0.024	5.166	-5.768	-5.768	0.000	0.000	0.000	0.000
376	A	386	VAL	0	0.004	-0.005	7.821	2.294	2.294	0.000	0.000	0.000	0.000
377	A	387	GLN	0	-0.103	-0.058	6.595	-8.851	-8.851	0.000	0.000	0.000	0.000
378	A	388	ALA	-1	-0.896	-0.951	9.470	-37.261	-37.261	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:7:ARG)