PDB-4wsx: The crystal structure of hemagglutinin from A/Jiangxi-Donghu/346/...

基本情報

• 登録情報: データベース: PDB / ID: 4wsx
• タイトル: The crystal structure of hemagglutinin from A/Jiangxi-Donghu/346/2013 influenza virus

要素

• Hemagglutinin HA1 chain
• Hemagglutinin HA2 chain

• キーワード: VIRAL PROTEIN / Hemagglutinin / influenza virus / H10

機能・相同性

分子機能:

clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / endocytosis involved in viral entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / membrane

ドメイン・相同性:

Haemagglutinin, influenzavirus B / Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon / Alpha-Beta Complex / Mainly Beta / Alpha Beta

構成要素:

Hemagglutinin / Hemagglutinin HA2 chain

• 生物種: Influenza A virus (A型インフルエンザウイルス)
• 手法: X線回折 / シンクロトロン / 解像度: 2.7 Å
• データ登録者: Yang, H. / Carney, P.J. / Chang, J.C. / Villanueva, J.M. / Stevens, J.
• 引用: ジャーナル: J.Virol. / 年: 2015; タイトル: Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.; 著者: Yang, H. / Carney, P.J. / Chang, J.C. / Villanueva, J.M. / Stevens, J.

履歴

登録	2014年10月28日	登録サイト: RCSB / 処理サイト: RCSB
改定 1.0	2015年2月25日	Provider: repository / タイプ: Initial release
改定 1.1	2015年4月1日	Group: Database references
改定 1.2	2020年7月29日	Group: Data collection / Database references / Derived calculations / Source and taxonomy / Structure summary カテゴリ: chem_comp / citation / entity / entity_src_gen / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list / struct_conn / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type / _citation.journal_id_CSD / _entity.pdbx_description / _entity_src_gen.pdbx_alt_source_flag / _pdbx_entity_nonpoly.name / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.type / _pdbx_struct_assembly_prop.value / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.pdbx_role 解説: Carbohydrate remediation / Provider: repository / タイプ: Remediation
改定 1.3	2023年12月27日	Group: Data collection / Database references / Refinement description / Structure summary カテゴリ: chem_comp / chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
改定 1.4	2024年11月6日	Group: Structure summary カテゴリ: pdbx_entry_details / pdbx_modification_feature

集合体

登録構造単位

A: Hemagglutinin HA1 chain

B: Hemagglutinin HA2 chain

C: Hemagglutinin HA1 chain

D: Hemagglutinin HA2 chain

E: Hemagglutinin HA1 chain

F: Hemagglutinin HA2 chain

G: Hemagglutinin HA1 chain

H: Hemagglutinin HA2 chain

I: Hemagglutinin HA1 chain

J: Hemagglutinin HA2 chain

K: Hemagglutinin HA1 chain

L: Hemagglutinin HA2 chain

M: Hemagglutinin HA1 chain

N: Hemagglutinin HA2 chain

O: Hemagglutinin HA1 chain

P: Hemagglutinin HA2 chain

Q: Hemagglutinin HA1 chain

R: Hemagglutinin HA2 chain

S: Hemagglutinin HA1 chain

T: Hemagglutinin HA2 chain

U: Hemagglutinin HA1 chain

V: Hemagglutinin HA2 chain

W: Hemagglutinin HA1 chain

X: Hemagglutinin HA2 chain

ヘテロ分子

概要:

• 674 kDa, 24 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	674,035	48
ポリマ－	668,726	24
非ポリマー	5,309	24
水	0	0

1

A: Hemagglutinin HA1 chain

B: Hemagglutinin HA2 chain

O: Hemagglutinin HA1 chain

P: Hemagglutinin HA2 chain

W: Hemagglutinin HA1 chain

X: Hemagglutinin HA2 chain

ヘテロ分子

概要:

• ソフトウェアが定義した集合体
• 169 kDa, 6 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	168,509	12
ポリマ－	167,182	6
非ポリマー	1,327	6
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	34520 Å2
ΔGint	-134 kcal/mol
Surface area	56750 Å2
手法	PISA

2

C: Hemagglutinin HA1 chain

D: Hemagglutinin HA2 chain

M: Hemagglutinin HA1 chain

N: Hemagglutinin HA2 chain

U: Hemagglutinin HA1 chain

V: Hemagglutinin HA2 chain

ヘテロ分子

概要:

• ソフトウェアが定義した集合体
• 169 kDa, 6 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	168,509	12
ポリマ－	167,182	6
非ポリマー	1,327	6
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	34550 Å2
ΔGint	-133 kcal/mol
Surface area	56700 Å2
手法	PISA

3

E: Hemagglutinin HA1 chain

F: Hemagglutinin HA2 chain

K: Hemagglutinin HA1 chain

L: Hemagglutinin HA2 chain

S: Hemagglutinin HA1 chain

T: Hemagglutinin HA2 chain

ヘテロ分子

概要:

• ソフトウェアが定義した集合体
• 169 kDa, 6 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	168,509	12
ポリマ－	167,182	6
非ポリマー	1,327	6
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	34560 Å2
ΔGint	-136 kcal/mol
Surface area	56680 Å2
手法	PISA

4

G: Hemagglutinin HA1 chain

H: Hemagglutinin HA2 chain

I: Hemagglutinin HA1 chain

J: Hemagglutinin HA2 chain

Q: Hemagglutinin HA1 chain

R: Hemagglutinin HA2 chain

ヘテロ分子

概要:

• ソフトウェアが定義した集合体
• 169 kDa, 6 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	168,509	12
ポリマ－	167,182	6
非ポリマー	1,327	6
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	34550 Å2
ΔGint	-136 kcal/mol
Surface area	56700 Å2
手法	PISA

単位格子

Length a, b, c (Å)	217.395, 217.612, 146.266
Angle α, β, γ (deg.)	90.00, 89.98, 90.00
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	モデル	要素
1	1	N-171- LEU

非結晶学的対称性 (NCS)

NCSドメイン:

ID	Ens-ID	詳細
1	1	A
2	1	C
1	2	A
2	2	E
1	3	A
2	3	G
1	4	A
2	4	I
1	5	A
2	5	K
1	6	A
2	6	M
1	7	A
2	7	O
1	8	A
2	8	Q
1	9	A
2	9	S
1	10	A
2	10	U
1	11	A
2	11	W
1	12	B
2	12	D
1	13	B
2	13	F
1	14	B
2	14	H
1	15	B
2	15	J
1	16	B
2	16	L
1	17	B
2	17	N
1	18	B
2	18	P
1	19	B
2	19	R
1	20	B
2	20	T
1	21	B
2	21	V
1	22	B
2	22	X
1	23	C
2	23	E
1	24	C
2	24	G
1	25	C
2	25	I
1	26	C
2	26	K
1	27	C
2	27	M
1	28	C
2	28	O
1	29	C
2	29	Q
1	30	C
2	30	S
1	31	C
2	31	U
1	32	C
2	32	W
1	33	D
2	33	F
1	34	D
2	34	H
1	35	D
2	35	J
1	36	D
2	36	L
1	37	D
2	37	N
1	38	D
2	38	P
1	39	D
2	39	R
1	40	D
2	40	T
1	41	D
2	41	V
1	42	D
2	42	X
1	43	E
2	43	G
1	44	E
2	44	I
1	45	E
2	45	K
1	46	E
2	46	M
1	47	E
2	47	O
1	48	E
2	48	Q
1	49	E
2	49	S
1	50	E
2	50	U
1	51	E
2	51	W
1	52	F
2	52	H
1	53	F
2	53	J
1	54	F
2	54	L
1	55	F
2	55	N
1	56	F
2	56	P
1	57	F
2	57	R
1	58	F
2	58	T
1	59	F
2	59	V
1	60	F
2	60	X
1	61	G
2	61	I
1	62	G
2	62	K
1	63	G
2	63	M
1	64	G
2	64	O
1	65	G
2	65	Q
1	66	G
2	66	S
1	67	G
2	67	U
1	68	G
2	68	W
1	69	H
2	69	J
1	70	H
2	70	L
1	71	H
2	71	N
1	72	H
2	72	P
1	73	H
2	73	R
1	74	H
2	74	T
1	75	H
2	75	V
1	76	H
2	76	X
1	77	I
2	77	K
1	78	I
2	78	M
1	79	I
2	79	O
1	80	I
2	80	Q
1	81	I
2	81	S
1	82	I
2	82	U
1	83	I
2	83	W
1	84	J
2	84	L
1	85	J
2	85	N
1	86	J
2	86	P
1	87	J
2	87	R
1	88	J
2	88	T
1	89	J
2	89	V
1	90	J
2	90	X
1	91	K
2	91	M
1	92	K
2	92	O
1	93	K
2	93	Q
1	94	K
2	94	S
1	95	K
2	95	U
1	96	K
2	96	W
1	97	L
2	97	N
1	98	L
2	98	P
1	99	L
2	99	R
1	100	L
2	100	T
1	101	L
2	101	V
1	102	L
2	102	X
1	103	M
2	103	O
1	104	M
2	104	Q
1	105	M
2	105	S
1	106	M
2	106	U
1	107	M
2	107	W
1	108	N
2	108	P
1	109	N
2	109	R
1	110	N
2	110	T
1	111	N
2	111	V
1	112	N
2	112	X
1	113	O
2	113	Q
1	114	O
2	114	S
1	115	O
2	115	U
1	116	O
2	116	W
1	117	P
2	117	R
1	118	P
2	118	T
1	119	P
2	119	V
1	120	P
2	120	X
1	121	Q
2	121	S
1	122	Q
2	122	U
1	123	Q
2	123	W
1	124	R
2	124	T
1	125	R
2	125	V
1	126	R
2	126	X
1	127	S
2	127	U
1	128	S
2	128	W
1	129	T
2	129	V
1	130	T
2	130	X
1	131	U
2	131	W
1	132	V
2	132	X

NCSドメイン領域:

Component-ID: _ / Beg auth comp-ID: GLY / Beg label comp-ID: GLY / Refine code: _

Dom-ID	Ens-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	GLU	GLU	A	A	0 - 318	4 - 322
2	1	GLU	GLU	C	C	0 - 318	4 - 322
1	2	GLU	GLU	A	A	0 - 318	4 - 322
2	2	GLU	GLU	E	E	0 - 318	4 - 322
1	3	GLU	GLU	A	A	0 - 318	4 - 322
2	3	GLU	GLU	G	G	0 - 318	4 - 322
1	4	GLU	GLU	A	A	0 - 318	4 - 322
2	4	GLU	GLU	I	I	0 - 318	4 - 322
1	5	GLU	GLU	A	A	0 - 318	4 - 322
2	5	GLU	GLU	K	K	0 - 318	4 - 322
1	6	GLU	GLU	A	A	0 - 318	4 - 322
2	6	GLU	GLU	M	M	0 - 318	4 - 322
1	7	GLU	GLU	A	A	0 - 318	4 - 322
2	7	GLU	GLU	O	O	0 - 318	4 - 322
1	8	GLU	GLU	A	A	0 - 318	4 - 322
2	8	GLU	GLU	Q	Q	0 - 318	4 - 322
1	9	GLU	GLU	A	A	0 - 318	4 - 322
2	9	GLU	GLU	S	S	0 - 318	4 - 322
1	10	GLU	GLU	A	A	0 - 318	4 - 322
2	10	GLU	GLU	U	U	0 - 318	4 - 322
1	11	GLU	GLU	A	A	0 - 318	4 - 322
2	11	GLU	GLU	W	W	0 - 318	4 - 322
1	12	ASN	ASN	B	B	1 - 172	1 - 172
2	12	ASN	ASN	D	D	1 - 172	1 - 172
1	13	ASN	ASN	B	B	1 - 172	1 - 172
2	13	ASN	ASN	F	F	1 - 172	1 - 172
1	14	ASN	ASN	B	B	1 - 172	1 - 172
2	14	ASN	ASN	H	H	1 - 172	1 - 172
1	15	ASN	ASN	B	B	1 - 172	1 - 172
2	15	ASN	ASN	J	J	1 - 172	1 - 172
1	16	ASN	ASN	B	B	1 - 172	1 - 172
2	16	ASN	ASN	L	L	1 - 172	1 - 172
1	17	ASN	ASN	B	B	1 - 172	1 - 172
2	17	ASN	ASN	N	N	1 - 172	1 - 172
1	18	ASN	ASN	B	B	1 - 172	1 - 172
2	18	ASN	ASN	P	P	1 - 172	1 - 172
1	19	ASN	ASN	B	B	1 - 172	1 - 172
2	19	ASN	ASN	R	R	1 - 172	1 - 172
1	20	ASN	ASN	B	B	1 - 172	1 - 172
2	20	ASN	ASN	T	T	1 - 172	1 - 172
1	21	ASN	ASN	B	B	1 - 172	1 - 172
2	21	ASN	ASN	V	V	1 - 172	1 - 172
1	22	ASN	ASN	B	B	1 - 172	1 - 172
2	22	ASN	ASN	X	X	1 - 172	1 - 172
1	23	GLU	GLU	C	C	0 - 318	4 - 322
2	23	GLU	GLU	E	E	0 - 318	4 - 322
1	24	GLU	GLU	C	C	0 - 318	4 - 322
2	24	GLU	GLU	G	G	0 - 318	4 - 322
1	25	GLU	GLU	C	C	0 - 318	4 - 322
2	25	GLU	GLU	I	I	0 - 318	4 - 322
1	26	GLU	GLU	C	C	0 - 318	4 - 322
2	26	GLU	GLU	K	K	0 - 318	4 - 322
1	27	GLU	GLU	C	C	0 - 318	4 - 322
2	27	GLU	GLU	M	M	0 - 318	4 - 322
1	28	GLU	GLU	C	C	0 - 318	4 - 322
2	28	GLU	GLU	O	O	0 - 318	4 - 322
1	29	GLU	GLU	C	C	0 - 318	4 - 322
2	29	GLU	GLU	Q	Q	0 - 318	4 - 322
1	30	GLU	GLU	C	C	0 - 318	4 - 322
2	30	GLU	GLU	S	S	0 - 318	4 - 322
1	31	GLU	GLU	C	C	0 - 318	4 - 322
2	31	GLU	GLU	U	U	0 - 318	4 - 322
1	32	GLU	GLU	C	C	0 - 318	4 - 322
2	32	GLU	GLU	W	W	0 - 318	4 - 322
1	33	ASN	ASN	D	D	1 - 172	1 - 172
2	33	ASN	ASN	F	F	1 - 172	1 - 172
1	34	ASN	ASN	D	D	1 - 172	1 - 172
2	34	ASN	ASN	H	H	1 - 172	1 - 172
1	35	ASN	ASN	D	D	1 - 172	1 - 172
2	35	ASN	ASN	J	J	1 - 172	1 - 172
1	36	ASN	ASN	D	D	1 - 172	1 - 172
2	36	ASN	ASN	L	L	1 - 172	1 - 172
1	37	ASN	ASN	D	D	1 - 172	1 - 172
2	37	ASN	ASN	N	N	1 - 172	1 - 172
1	38	ASN	ASN	D	D	1 - 172	1 - 172
2	38	ASN	ASN	P	P	1 - 172	1 - 172
1	39	ASN	ASN	D	D	1 - 172	1 - 172
2	39	ASN	ASN	R	R	1 - 172	1 - 172
1	40	ASN	ASN	D	D	1 - 172	1 - 172
2	40	ASN	ASN	T	T	1 - 172	1 - 172
1	41	ASN	ASN	D	D	1 - 172	1 - 172
2	41	ASN	ASN	V	V	1 - 172	1 - 172
1	42	ASN	ASN	D	D	1 - 172	1 - 172
2	42	ASN	ASN	X	X	1 - 172	1 - 172
1	43	GLU	GLU	E	E	0 - 318	4 - 322
2	43	GLU	GLU	G	G	0 - 318	4 - 322
1	44	GLU	GLU	E	E	0 - 318	4 - 322
2	44	GLU	GLU	I	I	0 - 318	4 - 322
1	45	GLU	GLU	E	E	0 - 318	4 - 322
2	45	GLU	GLU	K	K	0 - 318	4 - 322
1	46	GLU	GLU	E	E	0 - 318	4 - 322
2	46	GLU	GLU	M	M	0 - 318	4 - 322
1	47	GLU	GLU	E	E	0 - 318	4 - 322
2	47	GLU	GLU	O	O	0 - 318	4 - 322
1	48	GLU	GLU	E	E	0 - 318	4 - 322
2	48	GLU	GLU	Q	Q	0 - 318	4 - 322
1	49	GLU	GLU	E	E	0 - 318	4 - 322
2	49	GLU	GLU	S	S	0 - 318	4 - 322
1	50	GLU	GLU	E	E	0 - 318	4 - 322
2	50	GLU	GLU	U	U	0 - 318	4 - 322
1	51	GLU	GLU	E	E	0 - 318	4 - 322
2	51	GLU	GLU	W	W	0 - 318	4 - 322
1	52	ASN	ASN	F	F	1 - 172	1 - 172
2	52	ASN	ASN	H	H	1 - 172	1 - 172
1	53	ASN	ASN	F	F	1 - 172	1 - 172
2	53	ASN	ASN	J	J	1 - 172	1 - 172
1	54	ASN	ASN	F	F	1 - 172	1 - 172
2	54	ASN	ASN	L	L	1 - 172	1 - 172
1	55	ASN	ASN	F	F	1 - 172	1 - 172
2	55	ASN	ASN	N	N	1 - 172	1 - 172
1	56	ASN	ASN	F	F	1 - 172	1 - 172
2	56	ASN	ASN	P	P	1 - 172	1 - 172
1	57	ASN	ASN	F	F	1 - 172	1 - 172
2	57	ASN	ASN	R	R	1 - 172	1 - 172
1	58	ASN	ASN	F	F	1 - 172	1 - 172
2	58	ASN	ASN	T	T	1 - 172	1 - 172
1	59	ASN	ASN	F	F	1 - 172	1 - 172
2	59	ASN	ASN	V	V	1 - 172	1 - 172
1	60	ASN	ASN	F	F	1 - 172	1 - 172
2	60	ASN	ASN	X	X	1 - 172	1 - 172
1	61	GLU	GLU	G	G	0 - 318	4 - 322
2	61	GLU	GLU	I	I	0 - 318	4 - 322
1	62	GLU	GLU	G	G	0 - 318	4 - 322
2	62	GLU	GLU	K	K	0 - 318	4 - 322
1	63	GLU	GLU	G	G	0 - 318	4 - 322
2	63	GLU	GLU	M	M	0 - 318	4 - 322
1	64	GLU	GLU	G	G	0 - 318	4 - 322
2	64	GLU	GLU	O	O	0 - 318	4 - 322
1	65	GLU	GLU	G	G	0 - 318	4 - 322
2	65	GLU	GLU	Q	Q	0 - 318	4 - 322
1	66	GLU	GLU	G	G	0 - 318	4 - 322
2	66	GLU	GLU	S	S	0 - 318	4 - 322
1	67	GLU	GLU	G	G	0 - 318	4 - 322
2	67	GLU	GLU	U	U	0 - 318	4 - 322
1	68	GLU	GLU	G	G	0 - 318	4 - 322
2	68	GLU	GLU	W	W	0 - 318	4 - 322
1	69	ASN	ASN	H	H	1 - 172	1 - 172
2	69	ASN	ASN	J	J	1 - 172	1 - 172
1	70	ASN	ASN	H	H	1 - 172	1 - 172
2	70	ASN	ASN	L	L	1 - 172	1 - 172
1	71	ASN	ASN	H	H	1 - 172	1 - 172
2	71	ASN	ASN	N	N	1 - 172	1 - 172
1	72	ASN	ASN	H	H	1 - 172	1 - 172
2	72	ASN	ASN	P	P	1 - 172	1 - 172
1	73	ASN	ASN	H	H	1 - 172	1 - 172
2	73	ASN	ASN	R	R	1 - 172	1 - 172
1	74	ASN	ASN	H	H	1 - 172	1 - 172
2	74	ASN	ASN	T	T	1 - 172	1 - 172
1	75	ASN	ASN	H	H	1 - 172	1 - 172
2	75	ASN	ASN	V	V	1 - 172	1 - 172
1	76	ASN	ASN	H	H	1 - 172	1 - 172
2	76	ASN	ASN	X	X	1 - 172	1 - 172
1	77	GLU	GLU	I	I	0 - 318	4 - 322
2	77	GLU	GLU	K	K	0 - 318	4 - 322
1	78	GLU	GLU	I	I	0 - 318	4 - 322
2	78	GLU	GLU	M	M	0 - 318	4 - 322
1	79	GLU	GLU	I	I	0 - 318	4 - 322
2	79	GLU	GLU	O	O	0 - 318	4 - 322
1	80	GLU	GLU	I	I	0 - 318	4 - 322
2	80	GLU	GLU	Q	Q	0 - 318	4 - 322
1	81	GLU	GLU	I	I	0 - 318	4 - 322
2	81	GLU	GLU	S	S	0 - 318	4 - 322
1	82	GLU	GLU	I	I	0 - 318	4 - 322
2	82	GLU	GLU	U	U	0 - 318	4 - 322
1	83	GLU	GLU	I	I	0 - 318	4 - 322
2	83	GLU	GLU	W	W	0 - 318	4 - 322
1	84	ASN	ASN	J	J	1 - 172	1 - 172
2	84	ASN	ASN	L	L	1 - 172	1 - 172
1	85	ASN	ASN	J	J	1 - 172	1 - 172
2	85	ASN	ASN	N	N	1 - 172	1 - 172
1	86	ASN	ASN	J	J	1 - 172	1 - 172
2	86	ASN	ASN	P	P	1 - 172	1 - 172
1	87	ASN	ASN	J	J	1 - 172	1 - 172
2	87	ASN	ASN	R	R	1 - 172	1 - 172
1	88	ASN	ASN	J	J	1 - 172	1 - 172
2	88	ASN	ASN	T	T	1 - 172	1 - 172
1	89	ASN	ASN	J	J	1 - 172	1 - 172
2	89	ASN	ASN	V	V	1 - 172	1 - 172
1	90	ASN	ASN	J	J	1 - 172	1 - 172
2	90	ASN	ASN	X	X	1 - 172	1 - 172
1	91	GLU	GLU	K	K	0 - 318	4 - 322
2	91	GLU	GLU	M	M	0 - 318	4 - 322
1	92	GLU	GLU	K	K	0 - 318	4 - 322
2	92	GLU	GLU	O	O	0 - 318	4 - 322
1	93	GLU	GLU	K	K	0 - 318	4 - 322
2	93	GLU	GLU	Q	Q	0 - 318	4 - 322
1	94	GLU	GLU	K	K	0 - 318	4 - 322
2	94	GLU	GLU	S	S	0 - 318	4 - 322
1	95	GLU	GLU	K	K	0 - 318	4 - 322
2	95	GLU	GLU	U	U	0 - 318	4 - 322
1	96	GLU	GLU	K	K	0 - 318	4 - 322
2	96	GLU	GLU	W	W	0 - 318	4 - 322
1	97	ASN	ASN	L	L	1 - 172	1 - 172
2	97	ASN	ASN	N	N	1 - 172	1 - 172
1	98	ASN	ASN	L	L	1 - 172	1 - 172
2	98	ASN	ASN	P	P	1 - 172	1 - 172
1	99	ASN	ASN	L	L	1 - 172	1 - 172
2	99	ASN	ASN	R	R	1 - 172	1 - 172
1	100	ASN	ASN	L	L	1 - 172	1 - 172
2	100	ASN	ASN	T	T	1 - 172	1 - 172
1	101	ASN	ASN	L	L	1 - 172	1 - 172
2	101	ASN	ASN	V	V	1 - 172	1 - 172
1	102	ASN	ASN	L	L	1 - 172	1 - 172
2	102	ASN	ASN	X	X	1 - 172	1 - 172
1	103	GLU	GLU	M	M	0 - 318	4 - 322
2	103	GLU	GLU	O	O	0 - 318	4 - 322
1	104	GLU	GLU	M	M	0 - 318	4 - 322
2	104	GLU	GLU	Q	Q	0 - 318	4 - 322
1	105	GLU	GLU	M	M	0 - 318	4 - 322
2	105	GLU	GLU	S	S	0 - 318	4 - 322
1	106	GLU	GLU	M	M	0 - 318	4 - 322
2	106	GLU	GLU	U	U	0 - 318	4 - 322
1	107	GLU	GLU	M	M	0 - 318	4 - 322
2	107	GLU	GLU	W	W	0 - 318	4 - 322
1	108	ASN	ASN	N	N	1 - 172	1 - 172
2	108	ASN	ASN	P	P	1 - 172	1 - 172
1	109	ASN	ASN	N	N	1 - 172	1 - 172
2	109	ASN	ASN	R	R	1 - 172	1 - 172
1	110	ASN	ASN	N	N	1 - 172	1 - 172
2	110	ASN	ASN	T	T	1 - 172	1 - 172
1	111	ASN	ASN	N	N	1 - 172	1 - 172
2	111	ASN	ASN	V	V	1 - 172	1 - 172
1	112	ASN	ASN	N	N	1 - 172	1 - 172
2	112	ASN	ASN	X	X	1 - 172	1 - 172
1	113	GLU	GLU	O	O	0 - 318	4 - 322
2	113	GLU	GLU	Q	Q	0 - 318	4 - 322
1	114	GLU	GLU	O	O	0 - 318	4 - 322
2	114	GLU	GLU	S	S	0 - 318	4 - 322
1	115	GLU	GLU	O	O	0 - 318	4 - 322
2	115	GLU	GLU	U	U	0 - 318	4 - 322
1	116	GLU	GLU	O	O	0 - 318	4 - 322
2	116	GLU	GLU	W	W	0 - 318	4 - 322
1	117	ASN	ASN	P	P	1 - 172	1 - 172
2	117	ASN	ASN	R	R	1 - 172	1 - 172
1	118	ASN	ASN	P	P	1 - 172	1 - 172
2	118	ASN	ASN	T	T	1 - 172	1 - 172
1	119	ASN	ASN	P	P	1 - 172	1 - 172
2	119	ASN	ASN	V	V	1 - 172	1 - 172
1	120	ASN	ASN	P	P	1 - 172	1 - 172
2	120	ASN	ASN	X	X	1 - 172	1 - 172
1	121	GLU	GLU	Q	Q	0 - 318	4 - 322
2	121	GLU	GLU	S	S	0 - 318	4 - 322
1	122	GLU	GLU	Q	Q	0 - 318	4 - 322
2	122	GLU	GLU	U	U	0 - 318	4 - 322
1	123	GLU	GLU	Q	Q	0 - 318	4 - 322
2	123	GLU	GLU	W	W	0 - 318	4 - 322
1	124	ASN	ASN	R	R	1 - 172	1 - 172
2	124	ASN	ASN	T	T	1 - 172	1 - 172
1	125	ASN	ASN	R	R	1 - 172	1 - 172
2	125	ASN	ASN	V	V	1 - 172	1 - 172
1	126	ASN	ASN	R	R	1 - 172	1 - 172
2	126	ASN	ASN	X	X	1 - 172	1 - 172
1	127	GLU	GLU	S	S	0 - 318	4 - 322
2	127	GLU	GLU	U	U	0 - 318	4 - 322
1	128	GLU	GLU	S	S	0 - 318	4 - 322
2	128	GLU	GLU	W	W	0 - 318	4 - 322
1	129	ASN	ASN	T	T	1 - 172	1 - 172
2	129	ASN	ASN	V	V	1 - 172	1 - 172
1	130	ASN	ASN	T	T	1 - 172	1 - 172
2	130	ASN	ASN	X	X	1 - 172	1 - 172
1	131	GLU	GLU	U	U	0 - 318	4 - 322
2	131	GLU	GLU	W	W	0 - 318	4 - 322
1	132	ASN	ASN	V	V	1 - 172	1 - 172
2	132	ASN	ASN	X	X	1 - 172	1 - 172

NCSアンサンブル:

ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132

要素

#1: タンパク質

A C E G I K M O Q S U W
Hemagglutinin HA1 chain

詳細:

分子量: 35739.312 Da / 分子数: 12 / 由来タイプ: 組換発現
由来: (組換発現) Influenza A virus (A型インフルエンザウイルス)
株: A/Jiangxi-Donghu/346/2013 / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: A0A0J9X252*PLUS

#2: タンパク質

B D F H J L N P R T V X
Hemagglutinin HA2 chain

詳細:

分子量: 19987.896 Da / 分子数: 12 / 由来タイプ: 組換発現
由来: (組換発現) Influenza A virus (A型インフルエンザウイルス)
株: A/Jiangxi-Donghu/346/2013 / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: A0A0J9X253*PLUS

#3: 糖

A-401 B-301 C-401 D-301 E-401 F-301 G-401 H-301 I-401 J-301 K-401 L-301 M-401 N-301 O-401 P-301 Q-401 R-301 S-401 T-301 ...
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-アセチル-β-D-グルコサミン

詳細:

タイプ: D-saccharide, beta linking / 分子量: 221.208 Da / 分子数: 24 / 由来タイプ: 合成 / 式: C₈H₁₅NO₆

識別子:

識別子	タイプ	プログラム
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

• Has protein modification: Y

実験情報

実験

• 実験: 手法: X線回折

試料調製

• 結晶: マシュー密度: 2.59 ų/Da / 溶媒含有率: 52.45 %
• 結晶化: 温度: 293 K / 手法: マイクロバッチ法; 詳細: 0.2M potassium sodium tartrate and 20% (w/v) PEG 3350

データ収集

• 回折: 平均測定温度: 100 K
• 放射光源: 由来: シンクロトロン / サイト: APS / ビームライン: 22-ID / 波長: 1 Å
• 検出器: タイプ: MARMOSAIC 325 mm CCD / 検出器: CCD / 日付: 2014年6月28日
• 放射: プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
• 放射波長: 波長: 1 Å / 相対比: 1
• 反射: 解像度: 2.7→50 Å / Num. obs: 185693 / % possible obs: 100 % / 冗長度: 3.9 % / Net I/σ(I): 18.2

解析

ソフトウェア

名称	バージョン	分類
REFMAC	5.8.0049	精密化
HKL-2000		データ削減
SCALEPACK		データスケーリング
PHASER		位相決定

精密化

解像度: 2.7→48.76 Å / Cor.coef. F_o:F_c: 0.922 / Cor.coef. F_o:F_c free: 0.913 / SU B: 48.539 / SU ML: 0.412 / 交差検証法: THROUGHOUT / ESU R Free: 0.374 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	Rfactor	反射数	%反射	Selection details
Rfree	0.26578	9317	5 %	RANDOM
Rwork	0.24328	-	-	-
obs	0.24441	176374	99.94 %	-

• 溶媒の処理: イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK

原子変位パラメータ

B_iso mean: 85.67 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	-1.32 Å2	0 Å2	-0.04 Å2
2-	-	-1.03 Å2	0 Å2
3-	-	-	2.35 Å2

精密化ステップ

サイクル: LAST / 解像度: 2.7→48.76 Å

	タンパク質	核酸	リガンド	溶媒	全体
原子数	45924	0	336	0	46260

拘束条件

Refine-ID	タイプ	Dev ideal	Dev ideal target	数
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.019	47244
X-RAY DIFFRACTION	r_bond_other_d	0.006	0.02	43512
X-RAY DIFFRACTION	r_angle_refined_deg	1.51	1.937	63972
X-RAY DIFFRACTION	r_angle_other_deg	0.976	3	99816
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.34	5	5868
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.039	24.615	2340
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.42	15	7944
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.963	15	312
X-RAY DIFFRACTION	r_chiral_restr	0.084	0.2	6948
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	54828
X-RAY DIFFRACTION	r_gen_planes_other	0.005	0.02	11364
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	2.463	2.762	23544
X-RAY DIFFRACTION	r_mcbond_other	2.463	2.761	23543
X-RAY DIFFRACTION	r_mcangle_it	4.047	4.133	29388
X-RAY DIFFRACTION	r_mcangle_other	4.047	4.134	29389
X-RAY DIFFRACTION	r_scbond_it	2.946	3.033	23697
X-RAY DIFFRACTION	r_scbond_other	2.946	3.033	23697
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	4.87	4.427	34583
X-RAY DIFFRACTION	r_long_range_B_refined	7.501	21.928	52942
X-RAY DIFFRACTION	r_long_range_B_other	7.501	21.928	52942
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / タイプ: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	数	Rms dev position (Å)
1	1	A	18894	0
1	2	C	18894	0
2	1	A	18892	0
2	2	E	18892	0
3	1	A	18890	0
3	2	G	18890	0
4	1	A	18846	0.02
4	2	I	18846	0.02
5	1	A	18854	0.02
5	2	K	18854	0.02
6	1	A	18866	0.01
6	2	M	18866	0.01
7	1	A	18821	0.01
7	2	O	18821	0.01
8	1	A	18852	0.01
8	2	Q	18852	0.01
9	1	A	18846	0.01
9	2	S	18846	0.01
10	1	A	18851	0.01
10	2	U	18851	0.01
11	1	A	18851	0.02
11	2	W	18851	0.02
12	1	B	9242	0
12	2	D	9242	0
13	1	B	9243	0
13	2	F	9243	0
14	1	B	9243	0
14	2	H	9243	0
15	1	B	9184	0.03
15	2	J	9184	0.03
16	1	B	9188	0.03
16	2	L	9188	0.03
17	1	B	9229	0
17	2	N	9229	0
18	1	B	9236	0.01
18	2	P	9236	0.01
19	1	B	9238	0
19	2	R	9238	0
20	1	B	9237	0
20	2	T	9237	0
21	1	B	9239	0.01
21	2	V	9239	0.01
22	1	B	9227	0
22	2	X	9227	0
23	1	C	18898	0
23	2	E	18898	0
24	1	C	18891	0
24	2	G	18891	0
25	1	C	18850	0.02
25	2	I	18850	0.02
26	1	C	18859	0.02
26	2	K	18859	0.02
27	1	C	18871	0.01
27	2	M	18871	0.01
28	1	C	18825	0.01
28	2	O	18825	0.01
29	1	C	18857	0.01
29	2	Q	18857	0.01
30	1	C	18852	0.01
30	2	S	18852	0.01
31	1	C	18856	0.01
31	2	U	18856	0.01
32	1	C	18857	0.02
32	2	W	18857	0.02
33	1	D	9243	0
33	2	F	9243	0
34	1	D	9241	0
34	2	H	9241	0
35	1	D	9183	0.03
35	2	J	9183	0.03
36	1	D	9185	0.03
36	2	L	9185	0.03
37	1	D	9228	0
37	2	N	9228	0
38	1	D	9235	0.01
38	2	P	9235	0.01
39	1	D	9237	0.01
39	2	R	9237	0.01
40	1	D	9236	0.01
40	2	T	9236	0.01
41	1	D	9237	0.01
41	2	V	9237	0.01
42	1	D	9226	0
42	2	X	9226	0
43	1	E	18890	0
43	2	G	18890	0
44	1	E	18845	0.02
44	2	I	18845	0.02
45	1	E	18854	0.02
45	2	K	18854	0.02
46	1	E	18866	0.01
46	2	M	18866	0.01
47	1	E	18824	0.01
47	2	O	18824	0.01
48	1	E	18856	0.01
48	2	Q	18856	0.01
49	1	E	18850	0.01
49	2	S	18850	0.01
50	1	E	18856	0.01
50	2	U	18856	0.01
51	1	E	18851	0.02
51	2	W	18851	0.02
52	1	F	9242	0
52	2	H	9242	0
53	1	F	9186	0.03
53	2	J	9186	0.03
54	1	F	9188	0.03
54	2	L	9188	0.03
55	1	F	9230	0
55	2	N	9230	0
56	1	F	9236	0.01
56	2	P	9236	0.01
57	1	F	9237	0.01
57	2	R	9237	0.01
58	1	F	9236	0.01
58	2	T	9236	0.01
59	1	F	9239	0.01
59	2	V	9239	0.01
60	1	F	9228	0
60	2	X	9228	0
61	1	G	18849	0.02
61	2	I	18849	0.02
62	1	G	18856	0.02
62	2	K	18856	0.02
63	1	G	18868	0.01
63	2	M	18868	0.01
64	1	G	18822	0.01
64	2	O	18822	0.01
65	1	G	18855	0.01
65	2	Q	18855	0.01
66	1	G	18848	0.01
66	2	S	18848	0.01
67	1	G	18853	0.01
67	2	U	18853	0.01
68	1	G	18853	0.02
68	2	W	18853	0.02
69	1	H	9182	0.03
69	2	J	9182	0.03
70	1	H	9186	0.03
70	2	L	9186	0.03
71	1	H	9227	0
71	2	N	9227	0
72	1	H	9234	0.01
72	2	P	9234	0.01
73	1	H	9236	0.01
73	2	R	9236	0.01
74	1	H	9235	0.01
74	2	T	9235	0.01
75	1	H	9236	0.01
75	2	V	9236	0.01
76	1	H	9225	0
76	2	X	9225	0
77	1	I	18860	0.02
77	2	K	18860	0.02
78	1	I	18873	0.02
78	2	M	18873	0.02
79	1	I	18826	0.02
79	2	O	18826	0.02
80	1	I	18837	0.02
80	2	Q	18837	0.02
81	1	I	18837	0.02
81	2	S	18837	0.02
82	1	I	18840	0.02
82	2	U	18840	0.02
83	1	I	18860	0.02
83	2	W	18860	0.02
84	1	J	9219	0
84	2	L	9219	0
85	1	J	9190	0.03
85	2	N	9190	0.03
86	1	J	9186	0.03
86	2	P	9186	0.03
87	1	J	9186	0.03
87	2	R	9186	0.03
88	1	J	9183	0.03
88	2	T	9183	0.03
89	1	J	9187	0.03
89	2	V	9187	0.03
90	1	J	9190	0.03
90	2	X	9190	0.03
91	1	K	18881	0.01
91	2	M	18881	0.01
92	1	K	18822	0.01
92	2	O	18822	0.01
93	1	K	18855	0.01
93	2	Q	18855	0.01
94	1	K	18850	0.01
94	2	S	18850	0.01
95	1	K	18854	0.01
95	2	U	18854	0.01
96	1	K	18874	0
96	2	W	18874	0
97	1	L	9193	0.03
97	2	N	9193	0.03
98	1	L	9187	0.03
98	2	P	9187	0.03
99	1	L	9187	0.03
99	2	R	9187	0.03
100	1	L	9185	0.03
100	2	T	9185	0.03
101	1	L	9188	0.03
101	2	V	9188	0.03
102	1	L	9192	0.03
102	2	X	9192	0.03
103	1	M	18829	0.02
103	2	O	18829	0.02
104	1	M	18857	0.01
104	2	Q	18857	0.01
105	1	M	18855	0.01
105	2	S	18855	0.01
106	1	M	18859	0.01
106	2	U	18859	0.01
107	1	M	18879	0.01
107	2	W	18879	0.01
108	1	N	9229	0
108	2	P	9229	0
109	1	N	9229	0
109	2	R	9229	0
110	1	N	9227	0
110	2	T	9227	0
111	1	N	9230	0
111	2	V	9230	0
112	1	N	9233	0
112	2	X	9233	0
113	1	O	18847	0.01
113	2	Q	18847	0.01
114	1	O	18845	0.01
114	2	S	18845	0.01
115	1	O	18847	0.01
115	2	U	18847	0.01
116	1	O	18824	0.01
116	2	W	18824	0.01
117	1	P	9253	0
117	2	R	9253	0
118	1	P	9252	0
118	2	T	9252	0
119	1	P	9253	0
119	2	V	9253	0
120	1	P	9226	0
120	2	X	9226	0
121	1	Q	18872	0
121	2	S	18872	0
122	1	Q	18878	0
122	2	U	18878	0
123	1	Q	18849	0.01
123	2	W	18849	0.01
124	1	R	9253	0
124	2	T	9253	0
125	1	R	9256	0
125	2	V	9256	0
126	1	R	9227	0
126	2	X	9227	0
127	1	S	18879	0
127	2	U	18879	0
128	1	S	18851	0.01
128	2	W	18851	0.01
129	1	T	9253	0
129	2	V	9253	0
130	1	T	9225	0
130	2	X	9225	0
131	1	U	18854	0.01
131	2	W	18854	0.01
132	1	V	9228	0
132	2	X	9228	0

LS精密化 シェル

解像度: 2.7→2.77 Å / Total num. of bins used: 20

	Rfactor	反射数	%反射
Rfree	0.381	737	-
Rwork	0.374	12908	-
obs	-	-	100 %

精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.6087	0.1852	-0.1103	1.9347	-1.1434	0.6862	-0.0882	0.1718	-0.0818	0.028	0.0136	-0.1733	0.0413	-0.0494	0.0747	0.626	-0.0029	-0.0015	0.4521	0.1002	0.3346	29.8948	-6.7734	72.3119
2	1.6901	-0.1887	0.4166	2.2048	-2.1563	2.4065	-0.7387	1.0828	0.2007	0.3285	0.8597	0.1185	-0.0734	-0.7313	-0.121	0.7743	-0.3357	-0.0364	1.4938	0.5666	0.4498	23.6376	37.8737	47.2517
3	1.6795	-0.261	-1.0278	0.5745	0.1609	0.642	0.029	-0.0247	-0.1608	-0.1671	-0.0907	0.094	-0.0634	-0.0493	0.0617	0.4329	-0.0033	0.1274	0.6598	0.0095	0.3353	21.238	50.9203	108.8754
4	2.4862	0.3596	-2.5993	1.6952	-0.566	3.0249	0.8426	-0.3588	0.1054	-1.0246	-0.7378	-0.2544	-0.7854	0.0829	-0.1048	1.4463	0.3024	0.6144	0.8024	0.0368	0.4955	65.8641	57.1826	83.8329
5	1.6775	-0.2569	0.9961	0.5447	-0.1568	0.6028	0.0184	-0.0387	0.1453	-0.1671	-0.0732	-0.0904	0.0515	0.0408	0.0548	0.4355	-0.0054	-0.1214	0.6558	-0.0104	0.3397	87.5226	1.9061	35.745
6	2.5354	0.3236	2.581	1.5327	0.5336	2.9338	0.8531	-0.3119	-0.1194	-0.9355	-0.7083	0.2062	0.7715	-0.0548	-0.1447	1.366	0.3196	-0.5684	0.7672	-0.0584	0.4614	42.8878	-4.3555	10.6934
7	0.5564	0.1818	0.1015	1.858	1.1238	0.694	-0.0992	0.1541	0.0839	0.023	0.0252	0.1789	-0.0429	0.0687	0.0741	0.6266	0.0057	0.0221	0.4499	-0.1081	0.3452	78.8359	59.5987	-0.8292
8	1.5521	0.021	-0.2454	2.3753	2.2176	2.3578	-0.5812	0.9698	-0.2208	0.3093	0.7753	-0.1937	0.0597	0.5969	-0.1941	0.6816	-0.2245	0.0469	1.1899	-0.5586	0.4422	85.0836	14.9533	-25.8865
9	0.7478	-0.1258	0.5174	1.2548	1.0127	1.4125	0.1345	0.1045	-0.0162	0.6253	0.1821	-0.3014	0.4882	0.2833	-0.3166	0.8786	0.1185	-0.202	0.3246	-0.2041	0.313	96.6465	44.0168	21.4559
10	1.367	0.7141	0.6318	2.9236	1.3418	0.7891	0.1274	0.4283	-1.1135	1.1849	0.5483	-0.9327	0.3249	0.3134	-0.6758	0.9153	0.3801	-0.465	0.4422	-0.7201	1.362	91.7608	3.5905	-10.37
11	1.4586	0.1028	1.0637	0.752	-0.528	1.3197	0.1766	-0.6846	-0.3412	-0.1234	0.1374	0.0175	0.2626	-0.4874	-0.3141	0.3014	-0.1262	-0.2174	0.9223	0.2062	0.2983	71.9596	-15.9052	58.0327
12	2.656	-0.7652	1.1587	1.1621	-0.6147	0.6733	0.4969	-1.1801	-0.9911	-0.4003	0.189	1.0408	0.2855	-0.3138	-0.6859	0.4114	-0.365	-0.6968	0.9276	0.513	1.3548	31.5525	-11.0233	26.1991
13	1.3031	0.0714	-0.9534	0.7508	0.536	1.2228	0.1706	-0.641	0.3334	-0.1046	0.1531	-0.031	-0.2512	0.4514	-0.3237	0.3121	-0.1138	0.2303	0.8994	-0.2029	0.3131	36.8349	68.7288	131.1614
14	2.6339	-0.9336	-1.1868	1.2543	0.7752	0.731	0.5424	-1.2758	1.0141	-0.4769	0.2122	-1.1139	-0.3381	0.3718	-0.7546	0.4546	-0.3841	0.7618	0.9717	-0.5219	1.4134	77.1978	63.8724	99.3507
15	0.5072	-0.0631	0.0236	2.8438	-2.1021	1.6739	0.0333	0.0275	0.0665	0.7973	-0.327	-0.6101	-0.5226	0.0849	0.2937	0.9025	-0.2155	-0.3918	0.2946	0.2255	0.3794	44.7045	11.1235	94.7709
16	1.0596	0.7012	-0.27	3.2992	-2.1204	1.5126	-0.059	0.5148	0.2246	0.6181	0.1594	0.0949	-0.2346	-0.0326	-0.1004	0.5981	0.0072	0.0527	0.4465	0.3983	0.5707	36.9796	47.877	59.2913
17	0.4557	-0.0631	-0.0286	2.8098	2.0318	1.6048	0.0254	0.0477	-0.067	0.831	-0.3364	0.6595	0.5363	-0.0811	0.3109	0.9049	-0.195	0.4119	0.2923	-0.2236	0.4086	64.0432	41.7068	21.6327
18	1.1266	0.7198	0.1966	3.1095	1.9382	1.3904	-0.0255	0.505	-0.2352	0.5953	0.118	-0.0962	0.2087	-0.0285	-0.0925	0.5939	0.026	-0.0405	0.4418	-0.3885	0.5561	71.7435	4.9381	-13.833
19	2.9289	0.0736	2.1843	0.4967	-0.0086	1.7597	-0.3253	-0.8237	0.6456	-0.0461	0.0085	0.0917	-0.0747	-0.5303	0.3168	0.2681	0.2321	-0.2491	0.9717	-0.3957	0.3702	69.6476	16.7079	58.2093
20	3.5874	-0.6508	2.2648	1.0347	-0.183	1.6002	0.1267	-0.6173	-0.0681	-0.4919	-0.0554	0.2208	-0.0053	-0.2269	-0.0713	0.4476	-0.015	-0.4035	0.5964	0.0409	0.5273	32.91	9.0053	22.7217
21	2.9224	0.1447	-2.1628	0.4932	-0.1301	1.7383	-0.326	-0.7988	-0.6582	-0.0472	0.0096	-0.066	0.0642	0.516	0.3164	0.2735	0.2169	0.2732	0.9608	0.3896	0.3896	39.1431	36.1119	131.3416
22	3.2918	-0.7182	-2.0553	0.9908	0.2824	1.4445	0.1574	-0.6514	0.0407	-0.5078	-0.0766	-0.215	-0.0367	0.2443	-0.0807	0.4709	-0.0026	0.4342	0.616	-0.0259	0.5765	75.8667	43.8363	95.8695
23	0.7671	-0.117	-0.5534	1.2881	-0.9636	1.3324	0.148	0.0936	0.0192	0.6314	0.1707	0.3248	-0.4751	-0.2578	-0.3187	0.8672	0.0998	0.2161	0.3277	0.1906	0.3182	12.103	8.8065	94.5922
24	1.3191	0.5568	-0.5542	3.6652	-1.8401	1.0911	0.1265	0.3781	1.0041	1.0169	0.5287	0.9392	-0.2826	-0.3125	-0.6552	0.817	0.3134	0.4505	0.3654	0.633	1.2294	16.9526	49.2336	62.7618

精密化 TLSグループ

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 401
2	X-RAY DIFFRACTION	2	B	1 - 301
3	X-RAY DIFFRACTION	3	C	0 - 401
4	X-RAY DIFFRACTION	4	D	1 - 301
5	X-RAY DIFFRACTION	5	E	0 - 401
6	X-RAY DIFFRACTION	6	F	1 - 301
7	X-RAY DIFFRACTION	7	G	0 - 401
8	X-RAY DIFFRACTION	8	H	1 - 301
9	X-RAY DIFFRACTION	9	I	0 - 401
10	X-RAY DIFFRACTION	10	J	1 - 301
11	X-RAY DIFFRACTION	11	K	0 - 401
12	X-RAY DIFFRACTION	12	L	1 - 301
13	X-RAY DIFFRACTION	13	M	0 - 401
14	X-RAY DIFFRACTION	14	N	1 - 301
15	X-RAY DIFFRACTION	15	O	0 - 401
16	X-RAY DIFFRACTION	16	P	1 - 301
17	X-RAY DIFFRACTION	17	Q	0 - 401
18	X-RAY DIFFRACTION	18	R	1 - 301
19	X-RAY DIFFRACTION	19	S	0 - 401
20	X-RAY DIFFRACTION	20	T	1 - 301
21	X-RAY DIFFRACTION	21	U	0 - 401
22	X-RAY DIFFRACTION	22	V	1 - 301
23	X-RAY DIFFRACTION	23	W	0 - 401
24	X-RAY DIFFRACTION	24	X	1 - 301