FMO DATABASE

FMODB ID: 2224R

Calculation Name: 7SQE-C-Xray89

Preferred Name:

Target Type:

Ligand Name: (1r)-n-[(1h-indol-3-yl)methyl]-n-methyl-1-(naphthalen-1-yl)ethan-1-amine

ligand 3-letter code: JWX

PDB ID: 7SQE

Chain ID: C

ChEMBL ID:

UniProt ID:

Base Structure: X-ray

Registration Date: 2021-12-17

Reference: T. Ohyama, K. Kamisaka, C. Watanabe, T. Honma et. al., FMO-based interaction energy analysis of SARS-Cov-2 related protein and ligand complexes, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHLSideSolv
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	Waters within average of the temperature factors of receptor.
Procedure	Auto-FMO protocol ver. 1.20200406

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	376
LigandCharge
Software	ABINIT-MP

Total energy (hartree)

FMO2-HF: Electronic energy	-4871431.808392
FMO2-HF: Nuclear repulsion	4740131.854747
FMO2-HF: Total energy	-131299.953645
FMO2-MP2: Total energy	-131674.369762

3D Structure

Snapshot

Ligand structure

JWX

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.
-168.168	-123.822	68.209	-36.978	-75.578	0.221

Interactive mode: IFIE and PIEDA for fragment #376(C:501:JWX)

Summations of interaction energy for fragment #376(C:501:JWX)

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.
-168.168	-123.822	68.209	-36.978	-75.578	-0.221

Interaction energy analysis for fragmet #376(C:501:JWX)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.778 / q_NPA : 0.882

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].
1	C	4	THR	0	0.005	-0.007	45.179	0.042	0.042	0.000	0.000	0.000	0.000
2	C	5	ILE	0	-0.073	-0.031	40.006	0.088	0.088	0.000	0.000	0.000	0.000
3	C	6	LYS	1	0.876	0.942	41.619	7.051	7.051	0.000	0.000	0.000	0.000
4	C	7	VAL	0	-0.027	-0.013	37.074	-0.065	-0.065	0.000	0.000	0.000	0.000
5	C	8	PHE	0	0.016	0.006	36.387	0.199	0.199	0.000	0.000	0.000	0.000
6	C	9	THR	0	0.014	0.012	33.599	-0.152	-0.152	0.000	0.000	0.000	0.000
7	C	9	THR	0	0.009	0.000	30.015	0.061	0.061	0.000	0.000	0.000	0.000
8	C	11	VAL	0	0.024	0.005	27.815	-0.183	-0.183	0.000	0.000	0.000	0.000
9	C	12	ASP	-1	-0.717	-0.817	27.080	-10.022	-10.022	0.000	0.000	0.000	0.000
10	C	13	ASN	0	-0.074	-0.035	28.815	0.068	0.068	0.000	0.000	0.000	0.000
11	C	14	ILE	0	-0.013	0.006	30.481	0.078	0.078	0.000	0.000	0.000	0.000
12	C	15	ASN	0	-0.049	-0.031	33.257	0.549	0.549	0.000	0.000	0.000	0.000
13	C	16	LEU	0	-0.032	-0.007	34.027	-0.176	-0.176	0.000	0.000	0.000	0.000
14	C	17	HIS	1	0.811	0.888	34.964	8.524	8.524	0.000	0.000	0.000	0.000
15	C	18	THR	0	0.007	-0.010	38.132	-0.136	-0.136	0.000	0.000	0.000	0.000
16	C	19	GLN	0	-0.004	0.009	37.493	0.200	0.200	0.000	0.000	0.000	0.000
17	C	20	VAL	0	-0.011	-0.009	41.052	0.012	0.012	0.000	0.000	0.000	0.000
18	C	20	VAL	0	-0.014	0.003	38.297	-0.050	-0.050	0.000	0.000	0.000	0.000
19	C	22	ASP	-1	-0.777	-0.881	41.676	-6.391	-6.391	0.000	0.000	0.000	0.000
20	C	23	MET	0	-0.015	-0.013	41.890	-0.088	-0.088	0.000	0.000	0.000	0.000
21	C	24	SER	0	-0.072	-0.047	42.279	-0.070	-0.070	0.000	0.000	0.000	0.000
22	C	25	MET	0	-0.010	0.001	40.224	0.008	0.008	0.000	0.000	0.000	0.000
23	C	26	THR	0	-0.023	-0.027	34.952	-0.023	-0.023	0.000	0.000	0.000	0.000
24	C	27	TYR	0	0.054	-0.001	33.107	0.144	0.144	0.000	0.000	0.000	0.000
25	C	28	GLY	0	0.007	-0.003	32.519	-0.023	-0.023	0.000	0.000	0.000	0.000
26	C	29	GLN	0	-0.060	-0.024	33.300	-0.023	-0.023	0.000	0.000	0.000	0.000
27	C	29	GLN	0	-0.013	0.013	36.865	0.146	0.146	0.000	0.000	0.000	0.000
28	C	31	PHE	0	0.021	-0.002	33.480	0.080	0.080	0.000	0.000	0.000	0.000
29	C	32	GLY	0	0.023	0.030	31.672	-0.166	-0.166	0.000	0.000	0.000	0.000
30	C	33	PRO	0	-0.049	-0.040	26.273	0.022	0.022	0.000	0.000	0.000	0.000
31	C	34	THR	0	0.029	0.016	28.427	0.108	0.108	0.000	0.000	0.000	0.000
32	C	35	TYR	0	-0.051	-0.031	23.396	-0.203	-0.203	0.000	0.000	0.000	0.000
33	C	36	LEU	0	0.028	0.019	27.421	0.240	0.240	0.000	0.000	0.000	0.000
34	C	37	ASP	-1	-0.880	-0.938	26.544	-10.276	-10.276	0.000	0.000	0.000	0.000
35	C	38	GLY	0	0.048	0.015	22.798	-0.331	-0.331	0.000	0.000	0.000	0.000
36	C	39	ALA	0	-0.084	-0.040	22.808	-0.317	-0.317	0.000	0.000	0.000	0.000
37	C	40	ASP	-1	-0.809	-0.880	24.082	-10.185	-10.185	0.000	0.000	0.000	0.000
38	C	41	VAL	0	-0.022	-0.017	25.944	0.160	0.160	0.000	0.000	0.000	0.000
39	C	42	THR	0	0.020	-0.005	27.699	0.397	0.397	0.000	0.000	0.000	0.000
40	C	43	LYS	1	0.922	0.943	27.729	9.830	9.830	0.000	0.000	0.000	0.000
41	C	44	ILE	0	-0.014	0.011	31.004	0.209	0.209	0.000	0.000	0.000	0.000
42	C	45	LYS	1	0.885	0.938	34.148	7.025	7.025	0.000	0.000	0.000	0.000
43	C	46	PRO	0	0.039	0.018	37.419	-0.099	-0.099	0.000	0.000	0.000	0.000
44	C	47	HIS	0	-0.056	-0.024	36.305	0.025	0.025	0.000	0.000	0.000	0.000
45	C	48	ASN	0	0.086	0.020	39.864	-0.052	-0.052	0.000	0.000	0.000	0.000
46	C	49	SER	0	-0.018	-0.010	38.168	0.001	0.001	0.000	0.000	0.000	0.000
47	C	50	HIS	0	0.033	0.032	34.871	-0.018	-0.018	0.000	0.000	0.000	0.000
48	C	51	GLU	-1	-0.759	-0.877	37.967	-7.032	-7.032	0.000	0.000	0.000	0.000
49	C	52	GLY	0	-0.071	-0.029	40.158	-0.071	-0.071	0.000	0.000	0.000	0.000
50	C	53	LYS	1	0.896	0.968	34.799	8.298	8.298	0.000	0.000	0.000	0.000
51	C	54	THR	0	0.018	0.004	31.637	0.233	0.233	0.000	0.000	0.000	0.000
52	C	55	PHE	0	-0.043	-0.018	30.897	-0.212	-0.212	0.000	0.000	0.000	0.000
53	C	56	TYR	0	0.035	0.011	26.118	0.144	0.144	0.000	0.000	0.000	0.000
54	C	57	VAL	0	-0.002	-0.006	28.770	0.091	0.091	0.000	0.000	0.000	0.000
55	C	58	LEU	0	-0.017	-0.008	24.510	-0.283	-0.283	0.000	0.000	0.000	0.000
56	C	59	PRO	0	0.002	-0.010	26.905	0.283	0.283	0.000	0.000	0.000	0.000
57	C	60	ASN	0	-0.054	-0.011	29.798	-0.080	-0.080	0.000	0.000	0.000	0.000
58	C	61	ASP	-1	-0.801	-0.893	32.595	-7.980	-7.980	0.000	0.000	0.000	0.000
59	C	61	ASP	-1	-0.840	-0.936	33.588	-8.452	-8.452	0.000	0.000	0.000	0.000
60	C	63	THR	0	-0.024	-0.012	34.532	-0.061	-0.061	0.000	0.000	0.000	0.000
61	C	64	LEU	0	-0.009	0.008	31.401	-0.239	-0.239	0.000	0.000	0.000	0.000
62	C	65	ARG	1	0.842	0.912	29.665	8.387	8.387	0.000	0.000	0.000	0.000
63	C	66	VAL	0	0.016	0.020	29.609	-0.341	-0.341	0.000	0.000	0.000	0.000
64	C	67	GLU	-1	-0.731	-0.829	30.653	-8.976	-8.976	0.000	0.000	0.000	0.000
65	C	68	ALA	0	0.022	0.001	26.263	-0.301	-0.301	0.000	0.000	0.000	0.000
66	C	69	PHE	0	-0.037	-0.012	25.035	-0.491	-0.491	0.000	0.000	0.000	0.000
67	C	70	GLU	-1	-0.902	-0.959	26.456	-9.596	-9.596	0.000	0.000	0.000	0.000
68	C	71	TYR	0	-0.017	-0.028	25.857	-0.373	-0.373	0.000	0.000	0.000	0.000
69	C	71	TYR	0	-0.062	-0.066	21.787	-0.586	-0.586	0.000	0.000	0.000	0.000
70	C	73	HIS	0	-0.060	-0.010	21.788	-0.774	-0.774	0.000	0.000	0.000	0.000
71	C	74	THR	0	0.014	-0.006	19.451	-0.318	-0.318	0.000	0.000	0.000	0.000
72	C	74	THR	0	0.033	0.012	22.192	0.217	0.217	0.000	0.000	0.000	0.000
73	C	76	ASP	-1	-0.785	-0.842	17.796	-14.019	-14.019	0.000	0.000	0.000	0.000
74	C	77	PRO	0	0.050	0.023	21.221	-0.044	-0.044	0.000	0.000	0.000	0.000
75	C	78	SER	0	-0.047	-0.029	18.071	0.001	0.001	0.000	0.000	0.000	0.000
76	C	79	PHE	0	0.020	0.008	16.913	-0.310	-0.310	0.000	0.000	0.000	0.000
77	C	80	LEU	0	0.010	0.003	18.928	-0.439	-0.439	0.000	0.000	0.000	0.000
78	C	81	GLY	0	0.060	0.027	20.489	0.000	0.000	0.000	0.000	0.000	0.000
79	C	82	ARG	1	0.786	0.895	13.718	16.580	16.580	0.000	0.000	0.000	0.000
80	C	83	TYR	0	0.013	-0.010	16.465	-0.549	-0.549	0.000	0.000	0.000	0.000
81	C	84	MET	0	-0.002	0.017	18.334	-0.082	-0.082	0.000	0.000	0.000	0.000
82	C	85	SER	0	-0.008	-0.015	16.495	0.198	0.198	0.000	0.000	0.000	0.000
83	C	86	ALA	0	0.031	0.025	14.483	-0.073	-0.073	0.000	0.000	0.000	0.000
84	C	87	LEU	0	0.033	0.018	15.963	-0.104	-0.104	0.000	0.000	0.000	0.000
85	C	88	ASN	0	-0.016	-0.012	19.341	0.504	0.504	0.000	0.000	0.000	0.000
86	C	89	HIS	0	-0.049	-0.026	16.101	0.530	0.530	0.000	0.000	0.000	0.000
87	C	90	THR	0	0.013	0.002	15.591	0.431	0.431	0.000	0.000	0.000	0.000
88	C	91	LYS	1	0.871	0.938	18.156	11.608	11.608	0.000	0.000	0.000	0.000
89	C	91	LYS	1	0.847	0.917	20.528	13.207	13.207	0.000	0.000	0.000	0.000
90	C	93	TRP	0	-0.064	-0.036	12.590	0.076	0.076	0.000	0.000	0.000	0.000
91	C	94	LYS	1	0.867	0.938	19.760	13.302	13.302	0.000	0.000	0.000	0.000
92	C	95	TYR	0	0.048	-0.005	17.523	-1.071	-1.071	0.000	0.000	0.000	0.000
93	C	96	PRO	0	-0.014	0.008	19.568	0.544	0.544	0.000	0.000	0.000	0.000
94	C	97	GLN	0	0.033	-0.002	21.005	-0.554	-0.554	0.000	0.000	0.000	0.000
95	C	98	VAL	0	0.003	-0.003	19.251	0.336	0.336	0.000	0.000	0.000	0.000
96	C	99	ASN	0	-0.006	0.005	20.698	-0.708	-0.708	0.000	0.000	0.000	0.000
97	C	100	GLY	0	0.037	0.014	22.472	-0.148	-0.148	0.000	0.000	0.000	0.000
98	C	101	LEU	0	-0.025	0.017	18.043	0.222	0.222	0.000	0.000	0.000	0.000
99	C	102	THR	0	0.016	0.001	19.622	0.289	0.289	0.000	0.000	0.000	0.000
100	C	103	SER	0	0.027	0.004	16.097	-1.336	-1.336	0.000	0.000	0.000	0.000
101	C	104	ILE	0	-0.011	-0.015	13.522	0.681	0.681	0.000	0.000	0.000	0.000
102	C	105	LYS	1	0.886	0.946	15.571	13.764	13.764	0.000	0.000	0.000	0.000
103	C	106	TRP	0	0.030	0.036	10.403	1.026	1.026	0.000	0.000	0.000	0.000
104	C	107	ALA	0	0.012	0.009	14.048	1.484	1.484	0.000	0.000	0.000	0.000
105	C	108	ASP	-1	-0.820	-0.895	11.936	-18.837	-18.837	0.000	0.000	0.000	0.000
106	C	109	ASN	0	-0.015	-0.013	6.913	-1.024	-1.024	0.000	0.000	0.000	0.000
107	C	109	ASN	0	0.083	0.061	8.065	-3.695	-3.695	0.000	0.000	0.000	0.000
108	C	111	SER	0	0.022	0.010	7.278	-0.868	-0.868	0.000	0.000	0.000	0.000
109	C	112	TYR	0	-0.001	-0.011	4.953	0.337	0.337	0.000	0.000	0.000	0.000
110	C	113	LEU	0	0.036	0.021	6.619	1.464	1.464	0.000	0.000	0.000	0.000
111	C	114	ALA	0	-0.009	0.004	10.150	1.654	1.654	0.000	0.000	0.000	0.000
112	C	115	THR	0	0.008	-0.002	7.639	1.542	1.542	0.000	0.000	0.000	0.000
113	C	116	ALA	0	0.003	0.004	9.428	1.230	1.230	0.000	0.000	0.000	0.000
114	C	117	LEU	0	0.015	-0.003	10.938	1.646	1.646	0.000	0.000	0.000	0.000
115	C	117	LEU	0	-0.036	-0.020	13.172	1.375	1.375	0.000	0.000	0.000	0.000
116	C	119	THR	0	0.029	-0.005	11.664	0.848	0.848	0.000	0.000	0.000	0.000
117	C	120	LEU	0	-0.014	-0.008	14.157	1.090	1.090	0.000	0.000	0.000	0.000
118	C	121	GLN	0	-0.094	-0.042	16.500	1.818	1.818	0.000	0.000	0.000	0.000
119	C	121	GLN	0	-0.048	-0.026	16.876	0.178	0.178	0.000	0.000	0.000	0.000
120	C	123	ILE	0	-0.056	-0.012	14.973	0.276	0.276	0.000	0.000	0.000	0.000
121	C	124	GLU	-1	-0.888	-0.938	18.808	-11.926	-11.926	0.000	0.000	0.000	0.000
122	C	125	LEU	0	-0.001	-0.017	17.317	-0.227	-0.227	0.000	0.000	0.000	0.000
123	C	126	LYS	1	0.861	0.936	21.359	12.144	12.144	0.000	0.000	0.000	0.000
124	C	127	PHE	0	0.033	-0.003	17.340	-0.363	-0.363	0.000	0.000	0.000	0.000
125	C	128	ASN	0	0.012	0.004	22.722	1.038	1.038	0.000	0.000	0.000	0.000
126	C	129	PRO	0	0.055	0.040	20.871	0.386	0.386	0.000	0.000	0.000	0.000
127	C	129	PRO	0	0.020	0.016	24.097	-0.307	-0.307	0.000	0.000	0.000	0.000
128	C	131	ALA	0	0.016	0.036	22.687	-0.105	-0.105	0.000	0.000	0.000	0.000
129	C	132	LEU	0	-0.016	-0.017	17.949	-0.283	-0.283	0.000	0.000	0.000	0.000
130	C	133	GLN	0	0.010	0.009	21.990	-0.714	-0.714	0.000	0.000	0.000	0.000
131	C	134	ASP	-1	-0.811	-0.881	25.102	-10.867	-10.867	0.000	0.000	0.000	0.000
132	C	135	ALA	0	-0.028	-0.020	22.165	0.041	0.041	0.000	0.000	0.000	0.000
133	C	136	TYR	0	0.024	0.010	19.570	-0.032	-0.032	0.000	0.000	0.000	0.000
134	C	136	TYR	0	0.028	0.008	22.295	-0.078	-0.078	0.000	0.000	0.000	0.000
135	C	138	ARG	1	0.831	0.901	24.889	11.285	11.285	0.000	0.000	0.000	0.000
136	C	139	ALA	0	0.033	0.014	19.992	0.047	0.047	0.000	0.000	0.000	0.000
137	C	140	ARG	1	0.812	0.910	22.141	12.900	12.900	0.000	0.000	0.000	0.000
138	C	141	ALA	0	0.005	0.011	23.382	0.201	0.201	0.000	0.000	0.000	0.000
139	C	142	GLY	0	0.001	0.001	23.422	0.333	0.333	0.000	0.000	0.000	0.000
140	C	143	GLU	-1	-0.895	-0.914	23.909	-11.033	-11.033	0.000	0.000	0.000	0.000
141	C	144	ALA	0	0.041	0.024	19.116	0.041	0.041	0.000	0.000	0.000	0.000
142	C	144	ALA	0	0.010	0.023	19.545	-0.744	-0.744	0.000	0.000	0.000	0.000
143	C	146	ASN	0	0.053	0.036	19.168	-0.621	-0.621	0.000	0.000	0.000	0.000
144	C	147	PHE	0	0.062	0.043	16.973	-0.457	-0.457	0.000	0.000	0.000	0.000
145	C	148	CYS	0	-0.019	-0.012	15.376	-1.011	-1.011	0.000	0.000	0.000	0.000
146	C	149	ALA	0	-0.052	-0.015	14.695	-1.053	-1.053	0.000	0.000	0.000	0.000
147	C	150	LEU	0	0.034	0.015	15.751	-0.443	-0.443	0.000	0.000	0.000	0.000
148	C	151	ILE	0	-0.003	0.006	11.816	-0.541	-0.541	0.000	0.000	0.000	0.000
149	C	152	LEU	0	-0.008	-0.001	9.651	-0.898	-0.898	0.000	0.000	0.000	0.000
150	C	153	ALA	0	0.028	0.031	11.758	-0.590	-0.590	0.000	0.000	0.000	0.000
151	C	154	TYR	0	-0.001	-0.025	14.007	0.002	0.002	0.000	0.000	0.000	0.000
152	C	155	CYS	0	-0.092	-0.031	8.656	-0.390	-0.390	0.000	0.000	0.000	0.000
153	C	156	ASN	0	-0.024	-0.019	8.753	-1.191	-1.191	0.000	0.000	0.000	0.000
154	C	157	LYS	1	0.819	0.918	2.898	37.562	38.342	0.159	-0.285	-0.654	0.003
155	C	158	THR	0	0.013	0.014	8.040	1.296	1.296	0.000	0.000	0.000	0.000
156	C	159	VAL	0	0.030	0.008	8.553	-1.911	-1.911	0.000	0.000	0.000	0.000
157	C	160	GLY	0	-0.009	-0.004	9.997	0.801	0.801	0.000	0.000	0.000	0.000
158	C	161	GLU	-1	-0.840	-0.836	4.737	-26.306	-26.215	-0.001	-0.001	-0.088	0.000
159	C	162	LEU	0	0.002	0.022	2.406	-1.658	-0.038	1.667	-0.650	-2.638	0.004
160	C	163	GLY	0	0.054	0.020	2.895	-1.937	0.358	1.076	-1.252	-2.119	-0.005
161	C	164	ASP	-1	-0.742	-0.851	1.730	-125.055	-121.653	22.388	-11.505	-14.286	-0.114
162	C	165	VAL	0	0.023	0.020	3.178	9.641	9.691	0.084	0.529	-0.663	0.000
163	C	166	ARG	1	0.884	0.932	4.088	50.210	50.665	-0.001	-0.026	-0.429	0.000
164	C	167	GLU	-1	-0.762	-0.824	3.097	-48.776	-45.648	0.176	-1.642	-1.662	-0.013
165	C	168	THR	0	0.020	-0.012	5.973	5.973	5.973	0.000	0.000	0.000	0.000
166	C	169	MET	0	-0.046	-0.013	8.722	3.895	3.895	0.000	0.000	0.000	0.000
167	C	170	SER	0	-0.048	-0.024	8.500	2.565	2.565	0.000	0.000	0.000	0.000
168	C	171	TYR	0	0.012	0.009	7.180	3.065	3.065	0.000	0.000	0.000	0.000
169	C	172	LEU	0	0.005	-0.001	11.838	1.943	1.943	0.000	0.000	0.000	0.000
170	C	173	PHE	0	0.011	-0.019	13.511	1.379	1.379	0.000	0.000	0.000	0.000
171	C	174	GLN	0	-0.049	-0.017	12.633	1.907	1.907	0.000	0.000	0.000	0.000
172	C	175	HIS	0	0.004	0.032	16.647	1.430	1.430	0.000	0.000	0.000	0.000
173	C	176	ALA	0	-0.002	0.004	19.019	0.607	0.607	0.000	0.000	0.000	0.000
174	C	177	ASN	0	-0.079	-0.044	20.547	0.152	0.152	0.000	0.000	0.000	0.000
175	C	178	LEU	0	0.029	-0.003	18.639	-0.144	-0.144	0.000	0.000	0.000	0.000
176	C	179	ASP	-1	-0.838	-0.891	23.327	-11.625	-11.625	0.000	0.000	0.000	0.000
177	C	180	SER	0	-0.048	-0.025	26.739	0.240	0.240	0.000	0.000	0.000	0.000
178	C	181	CYS	0	-0.052	-0.009	22.077	-0.196	-0.196	0.000	0.000	0.000	0.000
179	C	182	LYS	1	0.882	0.936	23.763	10.610	10.610	0.000	0.000	0.000	0.000
180	C	183	ARG	1	0.793	0.903	15.209	16.465	16.465	0.000	0.000	0.000	0.000
181	C	184	VAL	0	-0.034	-0.011	22.171	0.070	0.070	0.000	0.000	0.000	0.000
182	C	185	LEU	0	0.004	0.004	18.107	-0.246	-0.246	0.000	0.000	0.000	0.000
183	C	186	ASN	0	0.009	-0.015	22.463	0.459	0.459	0.000	0.000	0.000	0.000
184	C	187	VAL	0	0.001	-0.004	21.122	-0.476	-0.476	0.000	0.000	0.000	0.000
185	C	187	VAL	0	0.035	0.015	23.766	0.470	0.470	0.000	0.000	0.000	0.000
186	C	189	CYS	0	-0.038	-0.003	25.526	-0.186	-0.186	0.000	0.000	0.000	0.000
187	C	190	LYS	1	0.985	0.990	26.924	8.848	8.848	0.000	0.000	0.000	0.000
188	C	191	THR	0	-0.051	-0.049	29.071	0.200	0.200	0.000	0.000	0.000	0.000
189	C	192	CYS	0	0.028	-0.014	28.413	0.138	0.138	0.000	0.000	0.000	0.000
190	C	193	GLY	0	0.025	0.033	30.487	0.094	0.094	0.000	0.000	0.000	0.000
191	C	194	GLN	0	0.023	0.020	28.433	-0.426	-0.426	0.000	0.000	0.000	0.000
192	C	194	GLN	0	0.001	0.001	25.976	0.065	0.065	0.000	0.000	0.000	0.000
193	C	195	GLN	0	0.031	0.021	25.737	-0.358	-0.358	0.000	0.000	0.000	0.000
194	C	197	THR	0	-0.008	-0.003	21.574	0.055	0.055	0.000	0.000	0.000	0.000
195	C	197	THR	0	-0.012	-0.015	24.026	0.006	0.006	0.000	0.000	0.000	0.000
196	C	199	LEU	0	-0.032	-0.009	17.725	0.066	0.066	0.000	0.000	0.000	0.000
197	C	200	LYS	1	0.955	0.962	21.634	11.662	11.662	0.000	0.000	0.000	0.000
198	C	201	GLY	0	0.037	0.026	20.432	-0.465	-0.465	0.000	0.000	0.000	0.000
199	C	202	VAL	0	0.058	0.016	13.754	-0.014	-0.014	0.000	0.000	0.000	0.000
200	C	203	GLU	-1	-0.861	-0.906	14.763	-17.593	-17.593	0.000	0.000	0.000	0.000
201	C	204	ALA	0	-0.019	-0.007	16.363	0.041	0.041	0.000	0.000	0.000	0.000
202	C	205	VAL	0	0.026	0.014	15.914	0.434	0.434	0.000	0.000	0.000	0.000
203	C	206	MET	0	-0.052	-0.007	9.701	-0.475	-0.475	0.000	0.000	0.000	0.000
204	C	207	TYR	0	0.030	0.010	11.577	1.371	1.371	0.000	0.000	0.000	0.000
205	C	208	MET	0	-0.040	0.006	2.877	-1.922	-1.397	0.098	-0.115	-0.508	0.000
206	C	209	GLY	0	-0.033	-0.021	8.246	1.357	1.357	0.000	0.000	0.000	0.000
207	C	210	THR	0	-0.022	-0.016	9.489	0.641	0.641	0.000	0.000	0.000	0.000
208	C	211	LEU	0	0.041	0.031	7.820	-0.421	-0.421	0.000	0.000	0.000	0.000
209	C	212	SER	0	-0.020	0.013	11.684	0.800	0.800	0.000	0.000	0.000	0.000
210	C	213	TYR	0	0.007	-0.051	15.424	-0.055	-0.055	0.000	0.000	0.000	0.000
211	C	214	GLU	-1	-0.833	-0.923	17.402	-11.861	-11.861	0.000	0.000	0.000	0.000
212	C	215	GLN	0	-0.017	-0.017	16.608	0.543	0.543	0.000	0.000	0.000	0.000
213	C	216	PHE	0	-0.015	-0.003	16.160	0.359	0.359	0.000	0.000	0.000	0.000
214	C	217	LYS	1	0.875	0.950	17.972	13.059	13.059	0.000	0.000	0.000	0.000
215	C	217	LYS	1	0.854	0.931	21.467	12.561	12.561	0.000	0.000	0.000	0.000
216	C	219	GLY	0	0.024	0.013	20.439	0.486	0.486	0.000	0.000	0.000	0.000
217	C	220	VAL	0	-0.063	-0.027	15.080	-0.287	-0.287	0.000	0.000	0.000	0.000
218	C	221	GLN	0	0.010	0.014	16.938	0.501	0.501	0.000	0.000	0.000	0.000
219	C	222	ILE	0	0.013	0.002	14.068	-0.968	-0.968	0.000	0.000	0.000	0.000
220	C	223	PRO	0	0.005	0.009	16.390	0.669	0.669	0.000	0.000	0.000	0.000
221	C	224	CYS	0	0.023	0.043	19.369	-0.145	-0.145	0.000	0.000	0.000	0.000
222	C	225	THR	0	0.096	0.037	21.821	-0.224	-0.224	0.000	0.000	0.000	0.000
223	C	226	CYS	0	-0.079	-0.034	23.499	0.115	0.115	0.000	0.000	0.000	0.000
224	C	227	GLY	0	0.030	0.015	21.664	0.224	0.224	0.000	0.000	0.000	0.000
225	C	228	LYS	1	0.922	0.952	21.497	9.618	9.618	0.000	0.000	0.000	0.000
226	C	229	GLN	0	0.009	0.008	17.694	-0.590	-0.590	0.000	0.000	0.000	0.000
227	C	230	ALA	0	-0.026	-0.007	21.006	0.592	0.592	0.000	0.000	0.000	0.000
228	C	231	THR	0	0.011	0.004	20.830	-0.321	-0.321	0.000	0.000	0.000	0.000
229	C	232	LYS	1	0.893	0.952	16.362	15.436	15.436	0.000	0.000	0.000	0.000
230	C	233	TYR	0	0.053	0.029	19.971	-0.323	-0.323	0.000	0.000	0.000	0.000
231	C	234	LEU	0	-0.017	0.007	19.881	0.188	0.188	0.000	0.000	0.000	0.000
232	C	235	VAL	0	-0.020	-0.015	21.966	0.372	0.372	0.000	0.000	0.000	0.000
233	C	236	GLN	0	0.051	0.025	24.824	0.295	0.295	0.000	0.000	0.000	0.000
234	C	236	GLN	0	-0.016	-0.001	20.114	-0.625	-0.625	0.000	0.000	0.000	0.000
235	C	238	GLU	-1	-0.836	-0.892	23.824	-10.333	-10.333	0.000	0.000	0.000	0.000
236	C	239	SER	0	0.016	-0.014	20.391	-0.220	-0.220	0.000	0.000	0.000	0.000
237	C	240	PRO	0	0.040	0.032	21.870	0.112	0.112	0.000	0.000	0.000	0.000
238	C	241	PHE	0	-0.006	-0.008	14.934	-0.182	-0.182	0.000	0.000	0.000	0.000
239	C	242	VAL	0	-0.009	0.022	16.573	0.189	0.189	0.000	0.000	0.000	0.000
240	C	243	MET	0	-0.010	0.017	7.964	0.267	0.267	0.000	0.000	0.000	0.000
241	C	243	MET	0	-0.061	0.027	11.359	0.570	0.570	0.000	0.000	0.000	0.000
242	C	245	SER	0	0.025	-0.010	5.873	-0.112	-0.112	0.000	0.000	0.000	0.000
243	C	246	ALA	0	0.016	0.003	5.921	2.579	2.579	0.000	0.000	0.000	0.000
244	C	247	PRO	0	0.018	0.016	2.736	-6.048	-3.558	1.075	-1.096	-2.469	0.011
245	C	247	PRO	0	0.015	0.028	2.320	-2.125	1.427	4.786	-1.398	-6.940	0.019
246	C	249	ALA	0	0.031	0.041	5.132	1.358	1.527	-0.001	-0.013	-0.155	0.000
247	C	250	GLN	0	-0.014	-0.012	8.781	0.453	0.453	0.000	0.000	0.000	0.000
248	C	251	TYR	0	-0.036	-0.029	11.346	0.724	0.724	0.000	0.000	0.000	0.000
249	C	252	GLU	-1	-0.854	-0.906	13.020	-13.591	-13.591	0.000	0.000	0.000	0.000
250	C	253	LEU	0	-0.038	-0.003	12.134	-0.225	-0.225	0.000	0.000	0.000	0.000
251	C	254	LYS	1	0.831	0.903	16.222	13.090	13.090	0.000	0.000	0.000	0.000
252	C	255	HIS	0	-0.001	-0.014	19.952	-0.277	-0.277	0.000	0.000	0.000	0.000
253	C	256	GLY	0	0.012	0.007	21.807	0.337	0.337	0.000	0.000	0.000	0.000
254	C	257	THR	0	-0.072	-0.037	19.855	-0.002	-0.002	0.000	0.000	0.000	0.000
255	C	258	PHE	0	-0.032	-0.019	14.630	-0.458	-0.458	0.000	0.000	0.000	0.000
256	C	259	THR	0	-0.025	0.000	16.777	0.711	0.711	0.000	0.000	0.000	0.000
257	C	260	CYS	0	-0.025	-0.013	12.979	0.881	0.881	0.000	0.000	0.000	0.000
258	C	261	ALA	0	0.027	0.018	10.561	-0.141	-0.141	0.000	0.000	0.000	0.000
259	C	262	SER	0	-0.003	0.006	5.804	1.855	1.855	0.000	0.000	0.000	0.000
260	C	263	GLU	-1	-0.795	-0.877	6.884	-24.195	-24.195	0.000	0.000	0.000	0.000
261	C	264	TYR	0	-0.027	-0.041	2.199	-15.381	-10.358	8.053	-3.036	-10.040	-0.040
262	C	265	THR	0	-0.011	-0.002	4.949	3.266	3.396	-0.001	-0.004	-0.125	0.000
263	C	266	GLY	0	0.058	0.019	4.548	-0.287	-0.038	-0.001	-0.053	-0.195	0.000
264	C	267	ASN	0	-0.017	-0.016	2.368	-7.259	-4.259	1.496	-1.992	-2.504	-0.013
265	C	268	TYR	0	0.037	0.030	2.402	-22.728	-12.700	7.054	-4.420	-12.662	0.000
266	C	269	GLN	0	-0.035	-0.003	2.988	2.520	3.624	0.902	0.069	-2.076	-0.004
267	C	270	CYS	0	0.001	0.000	5.136	1.816	1.955	-0.001	-0.007	-0.131	0.000
268	C	271	GLY	0	0.026	0.011	5.014	-2.988	-2.988	0.000	0.000	0.000	0.000
269	C	272	HIS	0	-0.089	-0.044	5.994	0.883	0.883	0.000	0.000	0.000	0.000
270	C	273	TYR	0	0.003	-0.023	2.324	-10.389	-9.404	4.625	-1.398	-4.213	-0.017
271	C	274	LYS	1	0.863	0.934	6.597	25.763	25.763	0.000	0.000	0.000	0.000
272	C	275	HIS	0	0.004	0.001	8.748	-3.497	-3.497	0.000	0.000	0.000	0.000
273	C	276	ILE	0	-0.016	-0.003	11.363	1.771	1.771	0.000	0.000	0.000	0.000
274	C	277	THR	0	0.022	0.005	13.736	-0.110	-0.110	0.000	0.000	0.000	0.000
275	C	278	SER	0	0.070	0.048	16.861	0.547	0.547	0.000	0.000	0.000	0.000
276	C	279	LYS	1	0.853	0.936	19.980	13.915	13.915	0.000	0.000	0.000	0.000
277	C	280	GLU	-1	-0.735	-0.855	23.209	-11.391	-11.391	0.000	0.000	0.000	0.000
278	C	281	THR	0	-0.037	-0.020	23.299	0.410	0.410	0.000	0.000	0.000	0.000
279	C	282	LEU	0	-0.052	-0.004	17.977	-0.331	-0.331	0.000	0.000	0.000	0.000
280	C	283	TYR	0	-0.041	-0.064	18.823	0.556	0.556	0.000	0.000	0.000	0.000
281	C	284	CYS	0	-0.032	-0.003	13.184	-0.935	-0.935	0.000	0.000	0.000	0.000
282	C	285	ILE	0	0.000	-0.008	14.707	0.940	0.940	0.000	0.000	0.000	0.000
283	C	286	ASP	-1	-0.807	-0.891	12.999	-23.314	-23.314	0.000	0.000	0.000	0.000
284	C	287	GLY	0	0.052	0.024	13.912	0.657	0.657	0.000	0.000	0.000	0.000
285	C	288	ALA	0	-0.049	-0.024	15.157	0.652	0.652	0.000	0.000	0.000	0.000
286	C	289	LEU	0	-0.028	0.004	17.158	0.870	0.870	0.000	0.000	0.000	0.000
287	C	289	LEU	0	0.009	0.008	17.578	-0.704	-0.704	0.000	0.000	0.000	0.000
288	C	291	THR	0	-0.021	-0.003	17.913	0.514	0.514	0.000	0.000	0.000	0.000
289	C	292	LYS	1	0.887	0.946	19.477	10.787	10.787	0.000	0.000	0.000	0.000
290	C	293	SER	0	-0.018	-0.017	19.864	0.170	0.170	0.000	0.000	0.000	0.000
291	C	293	SER	0	0.066	0.032	22.128	-0.155	-0.155	0.000	0.000	0.000	0.000
292	C	295	GLU	-1	-0.898	-0.931	20.840	-11.967	-11.967	0.000	0.000	0.000	0.000
293	C	296	TYR	0	-0.026	-0.035	11.431	-0.219	-0.219	0.000	0.000	0.000	0.000
294	C	297	LYS	1	0.956	0.973	15.089	15.923	15.923	0.000	0.000	0.000	0.000
295	C	298	GLY	0	0.055	0.034	12.010	0.427	0.427	0.000	0.000	0.000	0.000
296	C	299	PRO	0	-0.042	-0.010	7.046	0.453	0.453	0.000	0.000	0.000	0.000
297	C	300	ILE	0	0.043	0.028	7.100	-2.346	-2.346	0.000	0.000	0.000	0.000
298	C	301	THR	0	-0.038	-0.022	2.485	-4.925	-3.889	0.714	-0.358	-1.392	-0.002
299	C	302	ASP	-1	-0.675	-0.808	5.099	-43.959	-43.835	-0.001	-0.004	-0.119	0.000
300	C	303	VAL	0	-0.015	0.003	7.617	0.990	0.990	0.000	0.000	0.000	0.000
301	C	304	PHE	0	0.022	-0.002	9.565	0.015	0.015	0.000	0.000	0.000	0.000
302	C	305	TYR	0	0.016	-0.017	13.930	0.981	0.981	0.000	0.000	0.000	0.000
303	C	306	LYS	1	0.891	0.945	17.581	12.229	12.229	0.000	0.000	0.000	0.000
304	C	307	GLU	-1	-0.813	-0.839	20.889	-12.549	-12.549	0.000	0.000	0.000	0.000
305	C	308	ASN	0	-0.030	-0.036	22.916	0.064	0.064	0.000	0.000	0.000	0.000
306	C	309	SER	0	-0.032	-0.035	26.334	0.017	0.017	0.000	0.000	0.000	0.000
307	C	310	TYR	0	0.019	0.015	24.342	0.153	0.153	0.000	0.000	0.000	0.000
308	C	311	THR	0	-0.016	-0.027	26.865	-0.064	-0.064	0.000	0.000	0.000	0.000
309	C	311	THR	0	-0.017	-0.001	26.504	0.115	0.115	0.000	0.000	0.000	0.000
310	C	312	THR	0	-0.011	-0.017	28.149	0.189	0.189	0.000	0.000	0.000	0.000
311	C	314	ILE	-1	-0.981	-0.965	26.000	-9.031	-9.031	0.000	0.000	0.000	0.000
312	C	601	HOH	0	0.012	-0.017	19.095	0.188	0.188	0.000	0.000	0.000	0.000
313	C	602	HOH	0	-0.031	-0.037	23.717	-0.032	-0.032	0.000	0.000	0.000	0.000
314	C	603	HOH	0	-0.027	-0.019	14.580	0.260	0.260	0.000	0.000	0.000	0.000
315	C	604	HOH	0	-0.066	-0.052	30.428	0.036	0.036	0.000	0.000	0.000	0.000
316	C	605	HOH	0	-0.029	-0.030	25.843	0.155	0.155	0.000	0.000	0.000	0.000
317	C	606	HOH	0	-0.069	-0.046	9.625	0.631	0.631	0.000	0.000	0.000	0.000
318	C	607	HOH	0	-0.055	-0.049	4.207	-1.427	-1.317	0.000	-0.047	-0.063	0.000
319	C	608	HOH	0	-0.028	-0.035	24.108	-0.075	-0.075	0.000	0.000	0.000	0.000
320	C	609	HOH	0	0.007	-0.027	13.908	0.529	0.529	0.000	0.000	0.000	0.000
321	C	610	HOH	0	-0.008	-0.012	20.728	-0.132	-0.132	0.000	0.000	0.000	0.000
322	C	611	HOH	0	-0.015	-0.024	22.107	-0.185	-0.185	0.000	0.000	0.000	0.000
323	C	612	HOH	0	0.008	0.007	15.847	0.119	0.119	0.000	0.000	0.000	0.000
324	C	613	HOH	0	-0.031	-0.031	6.899	0.434	0.434	0.000	0.000	0.000	0.000
325	C	614	HOH	0	-0.016	-0.014	17.788	0.447	0.447	0.000	0.000	0.000	0.000
326	C	615	HOH	0	0.021	0.018	13.673	-0.415	-0.415	0.000	0.000	0.000	0.000
327	C	616	HOH	0	-0.034	-0.026	19.256	0.114	0.114	0.000	0.000	0.000	0.000
328	C	617	HOH	0	-0.034	-0.036	18.463	0.261	0.261	0.000	0.000	0.000	0.000
329	C	618	HOH	0	-0.006	-0.034	32.119	-0.049	-0.049	0.000	0.000	0.000	0.000
330	C	619	HOH	0	-0.009	-0.010	5.892	-1.709	-1.709	0.000	0.000	0.000	0.000
331	C	620	HOH	0	0.000	-0.010	21.160	-0.011	-0.011	0.000	0.000	0.000	0.000
332	C	621	HOH	0	-0.014	-0.020	7.174	0.199	0.199	0.000	0.000	0.000	0.000
333	C	622	HOH	0	0.008	-0.003	11.026	0.270	0.270	0.000	0.000	0.000	0.000
334	C	623	HOH	0	-0.009	-0.007	12.675	-0.412	-0.412	0.000	0.000	0.000	0.000
335	C	624	HOH	0	-0.023	-0.029	1.872	-10.780	-12.456	7.576	-3.273	-2.627	-0.040
336	C	625	HOH	0	-0.049	-0.033	24.689	-0.050	-0.050	0.000	0.000	0.000	0.000
337	C	626	HOH	0	-0.011	-0.017	3.543	-4.444	-3.996	0.012	-0.197	-0.263	-0.001
338	C	627	HOH	0	0.012	0.001	8.619	-1.105	-1.105	0.000	0.000	0.000	0.000
339	C	628	HOH	0	-0.037	-0.035	2.930	-5.231	-4.345	0.147	-0.463	-0.570	-0.004
340	C	629	HOH	0	-0.015	-0.027	5.192	-1.381	-1.357	0.000	0.000	-0.024	0.000
341	C	630	HOH	0	-0.007	-0.015	9.409	0.796	0.796	0.000	0.000	0.000	0.000
342	C	631	HOH	0	-0.037	-0.028	2.417	-2.096	-1.871	3.930	-1.726	-2.428	0.016
343	C	632	HOH	0	-0.028	-0.022	14.047	0.368	0.368	0.000	0.000	0.000	0.000
344	C	633	HOH	0	0.018	0.007	15.276	0.362	0.362	0.000	0.000	0.000	0.000
345	C	634	HOH	0	0.005	0.003	18.267	-0.166	-0.166	0.000	0.000	0.000	0.000
346	C	635	HOH	0	-0.011	-0.016	17.928	0.422	0.422	0.000	0.000	0.000	0.000
347	C	636	HOH	0	0.033	0.020	10.552	-0.068	-0.068	0.000	0.000	0.000	0.000
348	C	637	HOH	0	-0.040	-0.035	20.810	0.275	0.275	0.000	0.000	0.000	0.000
349	C	638	HOH	0	-0.009	-0.015	2.581	-2.043	-0.897	0.672	-0.733	-1.084	-0.002
350	C	639	HOH	0	0.030	-0.003	12.760	0.453	0.453	0.000	0.000	0.000	0.000
351	C	640	HOH	0	0.008	-0.014	21.464	0.216	0.216	0.000	0.000	0.000	0.000
352	C	641	HOH	0	-0.047	-0.042	22.646	-0.114	-0.114	0.000	0.000	0.000	0.000
353	C	642	HOH	0	-0.027	-0.011	13.524	0.083	0.083	0.000	0.000	0.000	0.000
354	C	643	HOH	0	0.033	0.010	17.481	-0.393	-0.393	0.000	0.000	0.000	0.000
355	C	644	HOH	0	0.030	0.004	11.698	0.569	0.569	0.000	0.000	0.000	0.000
356	C	645	HOH	0	0.008	-0.008	8.686	0.157	0.157	0.000	0.000	0.000	0.000
357	C	646	HOH	0	-0.009	-0.006	6.470	-0.083	-0.083	0.000	0.000	0.000	0.000
358	C	647	HOH	0	-0.014	-0.023	13.270	-0.445	-0.445	0.000	0.000	0.000	0.000
359	C	648	HOH	0	-0.044	-0.040	6.317	0.772	0.772	0.000	0.000	0.000	0.000
360	C	649	HOH	0	-0.037	-0.029	6.520	-0.682	-0.682	0.000	0.000	0.000	0.000
361	C	650	HOH	0	-0.032	-0.026	12.775	-0.420	-0.420	0.000	0.000	0.000	0.000
362	C	651	HOH	0	-0.003	-0.031	2.866	0.028	0.671	0.193	-0.261	-0.574	0.000
363	C	652	HOH	0	0.024	0.015	17.331	-0.038	-0.038	0.000	0.000	0.000	0.000
364	C	653	HOH	0	-0.020	-0.015	22.481	-0.013	-0.013	0.000	0.000	0.000	0.000
365	C	654	HOH	0	0.034	0.013	19.639	-0.079	-0.079	0.000	0.000	0.000	0.000
366	C	655	HOH	0	0.027	0.012	11.257	-0.524	-0.524	0.000	0.000	0.000	0.000
367	C	656	HOH	0	-0.030	-0.033	5.691	-0.090	-0.090	0.000	0.000	0.000	0.000
368	C	657	HOH	0	0.028	0.013	24.024	-0.199	-0.199	0.000	0.000	0.000	0.000
369	C	658	HOH	0	0.016	0.003	20.527	0.194	0.194	0.000	0.000	0.000	0.000
370	C	659	HOH	0	-0.015	-0.013	2.407	0.646	2.811	1.333	-1.621	-1.877	-0.019
371	C	660	HOH	0	0.018	-0.003	6.806	-1.567	-1.567	0.000	0.000	0.000	0.000
372	C	661	HOH	0	0.000	0.001	16.802	-0.331	-0.331	0.000	0.000	0.000	0.000
373	C	662	HOH	0	-0.024	-0.023	14.022	-0.245	-0.245	0.000	0.000	0.000	0.000
374	C	663	HOH	0	0.039	0.026	14.433	0.047	0.047	0.000	0.000	0.000	0.000
375	C	664	HOH	0	0.029	0.024	8.930	-1.022	-1.022	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #376(C:501:JWX)