TCR Details:

Item	Info
VB chain	B
VA chain	A
VB IMGT details	TRBV6/TRBJ2
VA IMGT details	TRAV1/TRAJ33
Species	human

Antigen Details:

Item	Info
Antigen Chain	E
Antigen Type	Hapten
Antigen Organism	HOMO SAPIENS
Antigen name	1-DEOXY-1-({2,6-DIOXO-5-[(E)-(2-OXOPROPYLIDENE)AMINO]-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL}AMINO)-D-RIBITOL
Antigen residue	2LJ

MHC details:

Item	Info
MHC Chain	E | F
MHC Type	MR1
MHC Species	human
MHC IMGT details	MR1*01

Numbered sequence

Chain type	Chain ID	FASTA/Annotation file	IMGT numbered sequence (Framework/CDR)
VB	B	FASTA file	B1 B2 B3 B4 B5 B6 B7 B8 I A G I T Q A P B9 B10 B11 B12 B13 B14 B15 B16 T S Q I L A A G B17 B18 B19 B20 B21 B22 B23 B24 R R M T L R C T B25 B26 B27 B28 B29 B37 B38 B39 Q D M R H N A M B40 B41 B42 B43 B44 B45 B46 B47 Y W Y R Q D L G B48 B49 B50 B51 B52 B53 B54 B55 L G L R L I H Y B56 B57 B58 B63 B64 B65 B66 B67 S N T A G T T G B68 B69 B70 B71 B72 B74 B75 B76 K G E V P D G Y B77 B78 B79 B80 B81 B83 B84 B85 S V S R A N T D B86 B87 B88 B89 B90 B91 B92 B93 D F P L T L A S B94 B95 B96 B97 B98 B99 B100 B101 A V P S Q T S V B102 B103 B104 B105 B106 B107 B108 B109 Y F C A S S E A B110 B111 B112 B113 B114 B115 B116 B117 G G N T G E L F B118 B119 B120 B121 B122 B123 B124 B125 F G E G S R L T B126 B127 V L
VA	A	FASTA file	A1 A2 A3 A4 A5 A6 A8 A9 G Q N I D Q P T A10 A11 A12 A13 A14 A15 A16 A17 E M T A T E G A A18 A19 A20 A21 A22 A23 A24 A25 I V Q I N C T Y A26 A27 A28 A29 A36 A37 A38 A39 Q T S G F N G L A40 A41 A42 A43 A44 A45 A46 A47 F W Y Q Q H A G A48 A49 A50 A51 A52 A53 A54 A55 E A P T F L S Y A56 A57 A58 A63 A64 A65 A66 A67 N V L D G L E E A68 A74 A75 A76 A77 A78 A79 A80 K G R F S S F L A81 A82 A83 A84 A85 A86 A87 A88 S R S K G Y S Y A89 A90 A91 A92 A93 A94 A95 A96 L L L K E L Q M A97 A98 A99 A100 A101 A102 A103 A104 K D S A S Y L C A105 A106 A107 A108 A109 A113 A114 A115 A V M D S N F Q A116 A117 A118 A119 A120 A121 A122 A123 L I W G A G T K A124 A125 A126 A127 A128 L I I K P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSEAGGNTGELF	None	13
CDRB2	SNTAGT	None	6
CDRB1	MRHNA	None	5
CDRA3	AVMDSNFQLI	None	10
CDRA2	NVLDGL	None	6
CDRA1	TSGFNG	A1-6-F	6

Orientation and docking angles:

Angle	Value
BC2	103.93°
BC1	72.68°
BA	-63.07°
AC2	79.25°
AC1	122.97°
dc	16.57Å
Docking angle	60.92°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
4pja_HG	104.00°	72.79°	-63.36°	79.29°	123.58°	16.70Å	0.7
5d7i_FE	103.88°	72.92°	-63.55°	78.71°	122.94°	16.52Å	0.8
5d5m_FE	104.63°	72.97°	-63.14°	79.47°	123.36°	16.58Å	0.9
4pjx_HG	104.62°	73.12°	-62.91°	78.97°	123.27°	16.44Å	0.9
4pjh_HG	103.29°	73.34°	-63.14°	79.06°	123.01°	16.41Å	1.0

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
4dcq_BA	108.30°	73.42°	-64.76°	82.94°	120.98°	16.23Å	6.3
3s96_AB	107.61°	73.57°	-66.51°	82.70°	120.78°	16.43Å	6.5
1nmc_HL	110.09°	71.80°	-64.06°	80.19°	120.88°	16.16Å	6.7
4yfl_FI	106.92°	71.36°	-64.48°	73.60°	120.95°	15.85Å	7.0
1nma_HL	109.88°	72.48°	-61.03°	81.63°	120.29°	16.40Å	7.2

TCR Details:

Item	Info
VB chain	H
VA chain	G
VB IMGT details	TRBV6/TRBJ2
VA IMGT details	TRAV1/TRAJ33
Species	human

Antigen Details:

Item	Info
Antigen Chain	C
Antigen Type	Hapten
Antigen Organism	HOMO SAPIENS
Antigen name	1-DEOXY-1-({2,6-DIOXO-5-[(E)-(2-OXOPROPYLIDENE)AMINO]-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL}AMINO)-D-RIBITOL
Antigen residue	2LJ

MHC details:

Item	Info
MHC Chain	C | D
MHC Type	MR1
MHC Species	human
MHC IMGT details	MR1*01

Numbered sequence

Chain type	Chain ID	FASTA/Annotation file	IMGT numbered sequence (Framework/CDR)
VB	H	FASTA file	B1 B2 B3 B4 B5 B6 B7 B8 I A G I T Q A P B9 B10 B11 B12 B13 B14 B15 B16 T S Q I L A A G B17 B18 B19 B20 B21 B22 B23 B24 R R M T L R C T B25 B26 B27 B28 B29 B37 B38 B39 Q D M R H N A M B40 B41 B42 B43 B44 B45 B46 B47 Y W Y R Q D L G B48 B49 B50 B51 B52 B53 B54 B55 L G L R L I H Y B56 B57 B58 B63 B64 B65 B66 B67 S N T A G T T G B68 B69 B70 B71 B72 B74 B75 B76 K G E V P D G Y B77 B78 B79 B80 B81 B83 B84 B85 S V S R A N T D B86 B87 B88 B89 B90 B91 B92 B93 D F P L T L A S B94 B95 B96 B97 B98 B99 B100 B101 A V P S Q T S V B102 B103 B104 B105 B106 B107 B108 B109 Y F C A S S E A B110 B111 B112 B113 B114 B115 B116 B117 G G N T G E L F B118 B119 B120 B121 B122 B123 B124 B125 F G E G S R L T B126 B127 V L
VA	G	FASTA file	A1 A2 A3 A4 A5 A6 A8 A9 G Q N I D Q P T A10 A11 A12 A13 A14 A15 A16 A17 E M T A T E G A A18 A19 A20 A21 A22 A23 A24 A25 I V Q I N C T Y A26 A27 A28 A29 A36 A37 A38 A39 Q T S G F N G L A40 A41 A42 A43 A44 A45 A46 A47 F W Y Q Q H A G A48 A49 A50 A51 A52 A53 A54 A55 E A P T F L S Y A56 A57 A58 A63 A64 A65 A66 A67 N V L D G L E E A68 A74 A75 A76 A77 A78 A79 A80 K G R F S S F L A81 A82 A83 A84 A85 A86 A87 A88 S R S K G Y S Y A89 A90 A91 A92 A93 A94 A95 A96 L L L K E L Q M A97 A98 A99 A100 A101 A102 A103 A104 K D S A S Y L C A105 A106 A107 A108 A109 A113 A114 A115 A V M D S N F Q A116 A117 A118 A119 A120 A121 A122 A123 L I W G A G T K A124 A125 A126 A127 A128 L I I K P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSEAGGNTGELF	None	13
CDRB2	SNTAGT	None	6
CDRB1	MRHNA	None	5
CDRA3	AVMDSNFQLI	None	10
CDRA2	NVLDGL	None	6
CDRA1	TSGFNG	A1-6-F	6

Orientation and docking angles:

Angle	Value
BC2	104.60°
BC1	72.67°
BA	-60.32°
AC2	80.40°
AC1	123.64°
dc	16.71Å
Docking angle	59.04°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
5d5m_HG	104.87°	72.45°	-60.33°	80.50°	124.02°	16.77Å	0.5
5d7i_HG	104.30°	72.61°	-60.75°	80.03°	123.42°	16.67Å	0.7
4lcw_HG	103.72°	72.86°	-60.75°	80.64°	123.76°	16.70Å	1.0
6pug_ED	103.58°	72.88°	-60.35°	80.20°	123.58°	16.68Å	1.1
4nqd_HG	103.97°	73.02°	-60.93°	80.38°	124.10°	16.73Å	1.1

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
1nma_HL	109.88°	72.48°	-61.03°	81.63°	120.29°	16.40Å	6.4
1ghf_HL	110.63°	71.68°	-61.52°	81.98°	122.12°	16.05Å	6.6
4dcq_BA	108.30°	73.42°	-64.76°	82.94°	120.98°	16.23Å	6.9
5te7_HL	110.03°	71.72°	-60.97°	83.32°	120.63°	16.37Å	7.0
4hxb_HL	109.66°	72.24°	-59.19°	82.14°	119.35°	16.41Å	7.0