PDB-9huo: A01 mAbs bound to cobratoxin at pH 5.5

ID or keywords:

Entry

Database: PDB / ID: 9huo

Title

A01 mAbs bound to cobratoxin at pH 5.5

Components

Alpha-cobratoxin
heavy chain
light chain

Keywords

TOXIN / cobratoxin / mAB / pH sensitivity

Function / homology

Function and homology information

acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region
Similarity search - Function

Biological species

Homo sapiens (human)

Naja kaouthia (monocled cobra)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.6 Å

Authors

Wade, J.W. / Bohn, M.F. / Laustsen, A.H. / Morth, J.P.

Funding support

Denmark, 1items

Citation

Journal: Mabs / Year: 2025
Title: Rational design of antibodies with pH-dependent antigen-binding properties using structural insights from broadly neutralizing antibodies against alpha-neurotoxins.
Authors: Wade, J. / Strancar, N. / Fernandez-Quintero, M.L. / Siebenhaar, S. / Jansen, T. / Meier, E.P.W. / Jenkins, T.P. / Bjorn, S.P. / Nguyen, G.T.T. / Lomonte, B. / Gutierrez, J.M. / Sorensen, C. ...

History

Deposition	Dec 23, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 19, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9huo.cif.gz	456 KB	Display	PDBx/mmCIF format
PDB format	pdb9huo.ent.gz	309.1 KB	Display	PDB format
PDBx/mmJSON format	9huo.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9huo_validation.pdf.gz	495.6 KB	Display	wwPDB validaton report
Full document	9huo_full_validation.pdf.gz	500.1 KB	Display
Data in XML	9huo_validation.xml.gz	37.2 KB	Display
Data in CIF	9huo_validation.cif.gz	50.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/hu/9huo ftp://data.pdbj.org/pub/pdb/validation_reports/hu/9huo	HTTPS FTP

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Related structure data

Related structure data	9fysC 9fytC 9hubC 9hxoC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#71 - Nov 2005 Acetylcholine Receptor similarity (4) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #54 - Jun 2004 Acetylcholinesterase similarity (3)

Deposited unit

A: Alpha-cobratoxin

I: light chain

M: heavy chain

B: Alpha-cobratoxin

C: light chain

D: heavy chain

hetero molecules

71.3 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Alpha-cobratoxin

I: light chain

M: heavy chain

hetero molecules

defined by author&software
35.6 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Alpha-cobratoxin

C: light chain

D: heavy chain

hetero molecules

defined by author&software
35.8 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	76.870, 83.150, 98.340
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

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Protein , 1 types, 2 molecules AB

#1: Protein	Alpha-cobratoxin / Alpha-CT / Alpha-CbT / Alpha-Cbtx / Alpha-Ctx / Alpha-elapitoxin-Nk2a / Alpha-EPTX-Nk2a / Long ...Alpha-CT / Alpha-CbT / Alpha-Cbtx / Alpha-Ctx / Alpha-elapitoxin-Nk2a / Alpha-EPTX-Nk2a / Long neurotoxin 1 / Siamensis 3 Mass: 7842.094 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Naja kaouthia (monocled cobra) / References: UniProt: P01391

#1: Protein

Alpha-cobratoxin / Alpha-CT / Alpha-CbT / Alpha-Cbtx / Alpha-Ctx / Alpha-elapitoxin-Nk2a / Alpha-EPTX-Nk2a / Long ...

Mass: 7842.094 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural)

Naja kaouthia (monocled cobra) / References: UniProt: P01391

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Antibody , 2 types, 4 molecules ICMD

#2: Antibody	light chain Mass: 15073.576 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#3: Antibody	heavy chain Mass: 12420.419 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)

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Non-polymers , 6 types, 562 molecules

#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#6: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: K
#7: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#8: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#9: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 552 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.22 Å³/Da / Density % sol: 44.68 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion / pH: 5.5 / Details: 25% PEG3350, 0.1M Bis-Tris pH5.5, 0.25 M AmS

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P14 (MX2) / Wavelength: 0.9537 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 24, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9537 Å / Relative weight: 1
Reflection	Resolution: 1.6→41.58 Å / Num. obs: 83281 / % possible obs: 99.37 % / Redundancy: 5 % / B_iso Wilson estimate: 20.72 Å² / CC_1/2: 0.999 / CC star: 1 / R_merge(I) obs: 0.06727 / R_pim(I) all: 0.03308 / R_rim(I) all: 0.07526 / Net I/σ(I): 5
Reflection shell	Resolution: 1.6→1.62 Å / R_merge(I) obs: 0.8884 / Mean I/σ(I) obs: 3.2 / Num. unique obs: 2739 / CC_1/2: 0.771 / CC star: 0.91 / R_pim(I) all: 0.5426 / R_rim(I) all: 1

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Processing

Software

Name	Version	Classification
PHENIX	1.21rc1_5156	refinement
xia2		data reduction
DIALS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.6→41.58 Å / SU ML: 0.197 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.6592
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2252	4075	4.9 %
R_work	0.1833	79053	-
obs	0.1853	83128	99.37 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 30.83 Å²

Refinement step

Cycle: LAST / Resolution: 1.6→41.58 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4804	0	39	552	5395

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0092	5067
X-RAY DIFFRACTION	f_angle_d	1.0774	6903
X-RAY DIFFRACTION	f_chiral_restr	0.0643	746
X-RAY DIFFRACTION	f_plane_restr	0.0109	903
X-RAY DIFFRACTION	f_dihedral_angle_d	14.4788	1817

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.6-1.62	0.4226	151	0.4115	2585	X-RAY DIFFRACTION	97.54
1.62-1.64	0.3824	118	0.3686	2706	X-RAY DIFFRACTION	98.81
1.64-1.66	0.3679	123	0.3338	2673	X-RAY DIFFRACTION	98.97
1.66-1.68	0.3891	145	0.3165	2708	X-RAY DIFFRACTION	99.34
1.68-1.7	0.3284	156	0.2904	2691	X-RAY DIFFRACTION	99.41
1.7-1.73	0.2891	129	0.2599	2715	X-RAY DIFFRACTION	99.79
1.73-1.75	0.312	125	0.2409	2703	X-RAY DIFFRACTION	99.72
1.75-1.78	0.2821	149	0.2278	2687	X-RAY DIFFRACTION	99.72
1.78-1.81	0.2463	159	0.2225	2705	X-RAY DIFFRACTION	99.72
1.81-1.84	0.2194	134	0.2116	2727	X-RAY DIFFRACTION	99.55
1.84-1.88	0.2712	149	0.2161	2691	X-RAY DIFFRACTION	99.51
1.88-1.91	0.24	145	0.2013	2688	X-RAY DIFFRACTION	99.47
1.91-1.95	0.2295	132	0.1882	2727	X-RAY DIFFRACTION	99.41
1.95-1.99	0.2478	115	0.1789	2757	X-RAY DIFFRACTION	99.83
1.99-2.04	0.2072	176	0.1797	2664	X-RAY DIFFRACTION	99.79
2.04-2.09	0.2281	163	0.1781	2721	X-RAY DIFFRACTION	99.83
2.09-2.15	0.1877	131	0.1696	2756	X-RAY DIFFRACTION	99.93
2.15-2.21	0.2786	124	0.171	2702	X-RAY DIFFRACTION	99.54
2.21-2.28	0.2311	146	0.1745	2717	X-RAY DIFFRACTION	99.65
2.28-2.36	0.2199	144	0.1742	2749	X-RAY DIFFRACTION	99.69
2.36-2.46	0.2183	132	0.1763	2751	X-RAY DIFFRACTION	99.69
2.46-2.57	0.2232	145	0.1792	2730	X-RAY DIFFRACTION	99.52
2.57-2.7	0.2149	131	0.1802	2727	X-RAY DIFFRACTION	99.13
2.71-2.87	0.2143	120	0.179	2781	X-RAY DIFFRACTION	99.21
2.87-3.1	0.2363	136	0.188	2751	X-RAY DIFFRACTION	99.21
3.1-3.41	0.2	163	0.1733	2736	X-RAY DIFFRACTION	99.21
3.41-3.9	0.2134	148	0.1582	2789	X-RAY DIFFRACTION	99.56
3.9-4.91	0.1562	128	0.1302	2814	X-RAY DIFFRACTION	98.82
4.91-41.58	0.2181	158	0.1824	2902	X-RAY DIFFRACTION	98.23

Refinement TLS params.

Method: 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	2.21436683071	0.0136368108038	-1.44608872174	1.29845500906	-0.317219351927	3.71075965903	0.494774811761	-0.906339981892	0.253802932845	0.694894886282	-0.238446806456	-0.0109219826578	-0.395243314108	0.758719221061	-0.355115582462	0.395714669209	-0.0742605901332	0.0345140037367	0.376303644653	-0.0361626410699	0.221206589659	4.25959508415	8.98547163991	25.7371416218
2	0.0743448755877	0.747260845245	0.081609027903	8.47506063653	3.55106580747	7.69416632082	0.356782769133	-0.903446929273	1.2531684883	0.623701405139	0.124154792323	0.132724233775	-0.5076148248	0.440276531568	-0.162362308741	0.642696222181	-0.191455849924	0.236118083498	0.518059647426	-0.182155758451	0.412946389472	-1.91820615289	16.4110043821	32.2143287264
3	0.92615434855	0.759195927971	-0.286689976469	1.5005021276	-0.588972980971	3.03547143943	0.200017214195	0.0151689131331	0.284261636257	0.0671486098261	0.101244213907	0.214027682938	-0.754324150754	-0.175706014902	-0.24037773743	0.303883209918	0.0509157272079	0.0467934214678	0.253518805379	0.0148268553923	0.266462853962	-0.685800080457	13.7593740696	12.5760319808
4	2.9793465444	0.770791677892	-0.844319487737	2.04825219112	-0.317321298934	2.71803444736	0.0360499127274	0.448934698707	-0.0540211763251	0.079770614049	0.100747665291	0.117703300968	0.010293122795	-0.463120478671	-0.0148823398135	0.235408902977	-0.00451549653787	0.0191533681579	0.296889213729	0.011758274354	0.272224730674	-3.36204276963	4.966226252	17.1035901822
5	2.57129072689	0.349906089366	-0.0800859745432	4.05337876829	1.10951136705	2.18000148509	0.106322313968	-0.261835500526	-0.162908517582	0.498491021195	0.0448070537985	-0.53361432106	0.0453878648054	0.0640226219007	-0.130713485219	0.208414071483	-0.00232980570168	-0.0577461851974	0.250485010258	-0.0208890345875	0.302693767549	32.9457904828	-7.14541857653	10.3110597873
6	5.60639761453	-1.20391019076	0.166832863715	5.22183034924	0.813722256838	6.28120671345	0.00815916555166	-0.732708821775	0.365751040245	0.719760497092	0.294948787443	-0.374287200803	-0.30720776741	-0.278690200746	-0.140286842051	0.270781607537	-0.00393705862571	-0.0418119891955	0.372632327239	-0.0505004686256	0.272693836958	29.3288904656	-2.79649685999	13.8616584454
7	1.39997595256	-0.0419393400973	2.03921172966	0.0108884454505	-0.0955350032505	3.19130894673	0.0454458559374	-1.26797927081	1.02125411892	0.836329754662	0.1016271045	-0.874994528083	-1.02641711584	-0.148525728297	0.142589357043	0.411503024189	0.0333731887761	-0.0893424242889	0.514382371227	-0.188981704648	0.45630020811	19.7774855599	7.08203937253	13.2897594268
8	3.09061694148	-0.182156645283	0.465654600127	1.81514910726	-0.582333736776	2.08969513679	0.144935794701	-0.215446090259	-0.18453150205	0.0612217390535	0.0333597388432	0.130532549227	-0.000873509661101	-0.110374276605	-0.142746204095	0.195531655603	-0.0269129712239	-0.00359316484257	0.229322638899	0.017101256518	0.221650413983	20.505116493	-8.24583076936	6.34821610023
9	3.11494176006	0.497061979763	0.357700327458	2.98054047311	-0.110148254786	2.39892192234	0.222696609224	-0.545455111083	-0.247705663732	0.367127565178	-0.0435605554667	-0.0663872397998	0.311061049776	-0.194499851748	-0.0600926586737	0.192457151611	-0.0584067491636	-0.0521480218625	0.286151448202	0.0487786073713	0.203117557918	26.5135551376	-10.8272537249	11.2574341233
10	2.66877602846	-0.683759545691	-0.297395916428	0.49450998319	0.394106635298	0.549385678877	0.0499771327266	-0.142225881973	-0.0358271175362	-0.0177724443559	-0.0144288181868	-0.0418412084104	-0.0702206391632	0.0105282743334	-0.0402209525592	0.208404048259	0.00161410627163	0.00798755360477	0.220903668088	0.00192127106253	0.194999021086	20.7500202371	0.618698472673	5.34889079077
11	7.99972556576	0.0495702735704	-2.37992143209	1.87574328135	1.29369517982	4.19563870515	-0.166000543152	0.0060078714641	-0.723570428133	0.123652469813	-0.0421329145343	0.11181554853	0.668422501354	-0.158986483006	0.252849810267	0.31889324765	-0.032185659533	0.0160798428182	0.284126440728	-0.01898593359	0.304544449848	16.3091405311	-8.72945445308	-11.954685246
12	2.78745117867	0.842102174471	-0.752146780847	2.1067648481	-0.470260438592	1.36775729303	-0.198940174732	0.682002308388	-0.0800717793072	-0.365068739622	0.016339535379	-0.231254963721	-0.112998922826	0.00220693007899	0.162862656833	0.3038443865	-0.0047865975431	0.0354367379583	0.477985729099	0.0208168677844	0.243310099295	25.2307229185	2.30671832208	-22.1800099314
13	1.71894062921	-0.657807508849	0.312884854764	1.04743857596	-0.187220573115	1.24217864792	0.0240391632674	0.178020185485	-0.120904571647	-0.0419114181345	-0.0338215630556	-0.0362351515062	0.0634085403611	-0.0434799416435	0.0156859779182	0.246921723656	0.0155057733775	0.02291371456	0.244878264754	-0.00431408690944	0.215719446796	19.9991035394	1.13658451907	-8.63723353115
14	3.02373599985	-0.519112650476	-0.539293161904	1.5583845378	-0.180254091202	2.16250148994	0.0798242565587	0.273827795823	0.495634354192	-0.0588952010042	-0.0630694980891	0.0224590784548	-0.229914396107	-0.211088418734	0.000383933377835	0.287604874749	0.0208332671732	0.0111865716922	0.288923869226	0.0318970443009	0.300431976353	18.7356295067	9.04223605369	-13.1347201407
15	2.81587258265	0.516427419949	-0.323726305579	1.20665626215	-0.291428603757	2.03907335028	0.0555521319318	0.0416991295021	0.0562419337398	0.0032414730386	-0.0053440182768	0.0792690122925	0.0325681721108	0.0219479545306	-0.0423503452885	0.187317176984	-0.00458164278496	0.00567356870649	0.189635625906	-0.023430807369	0.181734834795	21.578387043	-0.310827358142	-9.23472113087
16	2.39937070322	0.710367554964	-1.38654087405	0.693092906805	0.661627764234	3.12691135942	0.0313526394097	-0.10492227479	0.194559083605	-0.198254045174	0.0370538701516	-0.0444572096946	-0.375997955076	0.786957606792	-5.71880216074E-5	0.355830787382	-0.0292681863122	0.0159411533458	0.371641069004	-0.0185201806546	0.303370540329	34.2599689424	2.47556022543	-26.3097972931
17	0.246742533526	0.697471535178	-0.795077445089	2.88885320514	-1.45643714169	3.24828317385	-0.0192418373279	1.20440120491	0.24262855939	-0.428686270288	0.0996445567002	0.0534917651486	-0.268397296399	0.430669829463	-0.0431007188154	0.341721349657	-0.0482142317916	-0.0074267688679	0.457823345751	0.0765544987885	0.192309198591	-0.332096530916	10.1771289752	-25.8301425647
18	1.28264282784	-0.630993535309	-2.12565219267	0.68558326475	1.04119777385	3.56241995062	-0.207235715786	0.842279556989	0.463005555725	-0.111483902773	0.0709970899214	0.102927687762	-0.409985924818	0.456468909068	0.123179068475	0.276848514417	-0.00823195650364	-0.0491158676084	0.441313982319	0.0963689566873	0.239279584801	-6.33151763483	10.3010975341	-22.7122677509
19	0.106530795689	0.37019239048	-0.300455126131	3.45872833128	-2.05364212753	2.16525735326	-0.502108066433	0.643741236613	0.641016379381	-1.00075890938	0.176039522963	-0.173334320496	-0.0025948188197	0.37245799783	0.26748004985	0.568715258403	-0.155993969902	-0.0102538112648	0.820540884588	0.169756685409	0.361953737897	2.81485101359	18.0915397563	-30.1441350852
20	1.68481266158	-0.125656075354	-3.14389022717	0.855490807886	0.29837585785	9.85444924679	0.13493199981	0.151230497403	0.447439526392	-0.0795313358314	0.0875628678585	-0.0691264282909	-0.507492280201	0.406364415564	-0.265428806317	0.274113293957	-0.0385668920599	-0.00111691988869	0.310469929431	0.0399673087752	0.265931455745	2.60337108343	14.0186283483	-14.7507609803
21	1.57116189728	0.779656204046	1.02373680422	2.50069676273	0.46487186554	1.31285674926	-0.139263802976	0.202759991977	0.156353805511	0.0287850160535	0.123837331487	0.123402749385	-0.166029106867	0.0697642185732	0.0274321089976	0.263029793183	-0.003568865774	0.00639330829009	0.283589598319	0.0154779964291	0.233763667228	-3.86703976814	8.75183844505	-1.15023114328
22	1.35004132743	0.171848610309	-0.308796553918	0.734013398844	-0.651860947922	1.33287338895	0.0678402461781	0.145265277475	0.517890694309	0.0165665038453	0.0367965282308	0.0885265504955	-0.794509959708	0.0902360709328	-0.128235484424	0.401442800426	-0.0753395814638	0.0189245788678	0.399244018147	0.0518921328599	0.289677718	3.26712412438	17.6399514899	-14.1368179818
23	2.14531912721	-0.383482527282	-0.540954342993	1.13456899689	0.376195469869	1.50707360481	-0.0194699858287	-0.198266740029	-0.170952944445	0.0282023580108	-0.0572384939777	-0.0924121705504	0.0293242597267	0.402272369451	0.115871148762	0.242356766747	-0.0209112057891	-0.00222630412018	0.364116787244	0.0195822214523	0.232083297868	3.84887884444	5.90357877911	-15.3374214348
24	2.28218511616	0.755002858585	-0.24976348923	5.06924152522	-0.330076284751	1.48819751753	0.100863224416	0.173082476746	-0.00176412359257	-0.263499419319	0.00147126868479	0.429616727331	0.00689964145078	-0.103899869708	-0.131386066956	0.201594388221	0.0294241141576	-0.0366856109061	0.240855950362	0.0233122332046	0.204235909293	-32.82960026	-6.7341054886	-8.8680984126
25	3.80618791474	1.11563853123	0.805547910345	5.68125180664	0.463748629376	4.71840730055	0.0910258565304	0.616135437897	0.222680528338	-0.554561145119	0.186284768127	0.160326796361	-0.562612294286	0.0834717531186	-0.0957407532374	0.288803389486	0.0194307222648	0.00983782102023	0.298757797138	0.0543968980482	0.24894506129	-29.2122298911	-2.14219631387	-12.2668261403
26	0.0430607368081	0.104044200628	0.0582241315892	0.239545933463	0.125468024679	0.0678540612314	0.0660428991016	1.00865804307	0.645753183509	-0.700704872742	0.0537159243028	0.408975505173	-0.788682687486	-0.264588119121	0.127730148196	0.424094696271	0.0195095951013	-0.0430103872422	0.539380469971	0.166563460707	0.329092133639	-19.3602070216	8.43715469875	-11.2816903823
27	2.37790890809	0.191132799362	0.223106953301	1.17595871461	0.400670552698	1.11598205686	0.065797467542	0.156727500855	-0.0965789538234	-0.0577011538588	-0.0113797509526	-0.0277882730167	0.0326730955632	0.132671938393	-0.0606941433354	0.19168460403	0.0287536348541	-0.00603883493446	0.228197435875	0.0024872883795	0.173276701698	-22.6855880417	-8.06054645347	-6.30581986588
28	1.78028517913	0.443501762683	-0.119527189276	0.211618033922	-0.146344674035	0.266906883291	0.0502521451928	-0.0354157315098	-0.0223355599443	-0.0164661287498	-0.0377953683842	0.0716353117127	-0.011350248654	0.0430741882893	-0.0398011820038	0.204667627897	0.00147641074607	0.00174335947284	0.224478404368	0.0186585920159	0.217815776557	-18.966225141	1.67696577334	-4.00954854654
29	7.91698676822	-0.178409330728	-2.17747892862	1.37450806321	-1.4903350953	4.09059875931	-0.308320870772	0.0407191656863	-0.83703309855	-0.0585196522003	-0.0475314805622	-0.115484567454	0.234541281098	0.334933406092	0.351724675249	0.258574367655	0.00897874291659	0.0386923316235	0.258624920508	-0.00224119833274	0.318962467381	-16.2524555266	-9.11938976549	13.3184774683
30	2.18576046214	-0.186831223495	-0.665099094215	1.25622266606	-0.0737245662656	0.375421885312	-0.164464098379	-0.347098644261	-0.0966382751513	0.147449476207	0.0493902478611	-0.0657199531111	1.8515158686E-6	0.181977197719	0.131751634257	0.257149284628	0.0168795333626	0.00497628323603	0.374006567098	0.0103877698709	0.212813546737	-19.4168764368	-0.462934775383	20.9820546425
31	1.31150283101	0.470583924136	0.284511472357	0.926984995024	-0.00750669507729	1.23043656105	0.0175598995942	0.181159636678	0.119825785413	-0.0960873034352	-0.0637667551122	0.0530251490714	0.0557911400332	-0.0371354890248	0.0558115763408	0.216168376488	-0.00554803425794	0.0127486109359	0.228202561212	0.00734885881189	0.215283410684	-24.4343679004	2.65834633428	8.80355305913
32	2.84536360989	0.518519654294	-0.366595635697	1.45873759547	0.13493352899	1.82393142812	-0.0055937190511	-0.162431935296	0.500910271456	-0.0404649839836	0.0396995314318	-0.110197733546	-0.206650893842	0.145070513565	-0.00604615320506	0.227326031601	-0.0317083093518	0.0113544304142	0.271334600358	-0.00442432392582	0.262945328594	-18.6389516366	8.24735100359	15.3917130217
33	1.95223947689	0.0675970255659	-0.741237723915	1.41240979908	0.352030224829	2.25124592501	0.0357834401812	-0.0486113936911	0.126697131435	-0.0723198296907	0.0351585867898	-0.141973903319	-0.00226291885777	0.0173064492225	-0.0400095186417	0.1882086579	0.013133532854	-0.00445349438748	0.240183345588	0.0126343755328	0.199821588039	-21.1653883017	-1.07293220076	10.3877228282
34	3.10842031331	-0.746878055739	-1.30752517268	0.945528377538	-0.71033291714	2.42970767101	-0.108045040419	-0.0700488051241	0.198268027687	0.225256276782	0.0430525029167	0.0247225471416	-0.132879313765	-0.65559256137	0.0782463695037	0.249825386704	0.0146852569659	-0.00476738820042	0.334580925766	-0.0133082422335	0.203088849147	-34.2947898594	1.76721440821	27.8859908645

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 1 through 13 )	A	A	1 - 13	1 - 13
2	2	chain 'A' and (resid 14 through 18 )	A	A	14 - 18	14 - 18
3	3	chain 'A' and (resid 19 through 52 )	A	A	19 - 52	19 - 52
4	4	chain 'A' and (resid 53 through 71 )	A	A	53 - 71	53 - 71
5	5	chain 'I' and (resid 1 through 17 )	I	C	1 - 17	1 - 17
6	6	chain 'I' and (resid 18 through 25 )	I	C	18 - 25	18 - 25
7	7	chain 'I' and (resid 26 through 33 )	I	C	26 - 33	26 - 33
8	8	chain 'I' and (resid 34 through 72 )	I	C	34 - 72	34 - 73
9	9	chain 'I' and (resid 73 through 90 )	I	C	73 - 90	74 - 91
10	10	chain 'I' and (resid 91 through 130 )	I	C	91 - 130	92 - 131
11	11	chain 'M' and (resid 0 through 8 )	M	E	0 - 8	1 - 9
12	12	chain 'M' and (resid 9 through 24 )	M	E	9 - 24	10 - 24
13	13	chain 'M' and (resid 25 through 48 )	M	E	25 - 48	25 - 48
14	14	chain 'M' and (resid 49 through 75 )	M	E	49 - 75	49 - 75
15	15	chain 'M' and (resid 76 through 117 )	M	E	76 - 117	76 - 103
16	16	chain 'M' and (resid 118 through 1022 )	M	E	118 - 1022	104 - 115
17	17	chain 'B' and (resid 1 through 5 )	B	G	1 - 5	1 - 5
18	18	chain 'B' and (resid 6 through 13 )	B	G	6 - 13	6 - 13
19	19	chain 'B' and (resid 14 through 18 )	B	G	14 - 18	14 - 18
20	20	chain 'B' and (resid 19 through 25 )	B	G	19 - 25	19 - 25
21	21	chain 'B' and (resid 26 through 35 )	B	G	26 - 35	26 - 35
22	22	chain 'B' and (resid 36 through 52 )	B	G	36 - 52	36 - 52
23	23	chain 'B' and (resid 53 through 71 )	B	G	53 - 71	53 - 71
24	24	chain 'C' and (resid 1 through 17 )	C	J	1 - 17	1 - 17
25	25	chain 'C' and (resid 18 through 25 )	C	J	18 - 25	18 - 25
26	26	chain 'C' and (resid 26 through 33 )	C	J	26 - 33	26 - 33
27	27	chain 'C' and (resid 34 through 97 )	C	J	34 - 97	34 - 98
28	28	chain 'C' and (resid 98 through 130 )	C	J	98 - 130	99 - 131
29	29	chain 'D' and (resid 0 through 8 )	D	K	0 - 8	1 - 9
30	30	chain 'D' and (resid 9 through 30 )	D	K	9 - 30	10 - 30
31	31	chain 'D' and (resid 31 through 48 )	D	K	31 - 48	31 - 48
32	32	chain 'D' and (resid 49 through 75 )	D	K	49 - 75	49 - 75
33	33	chain 'D' and (resid 76 through 103 )	D	K	76 - 103	76 - 103
34	34	chain 'D' and (resid 104 through 1008 )	D	K	104 - 1008	104 - 115

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