TCR Details:

Item	Info
VB chain	F
VA chain	E
VB IMGT details	TRBV29/TRBJ1
VA IMGT details	TRAV12/TRAJ39
Species	human

Antigen Details:

Item	Info
Antigen Chain	A
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	A | B
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	F	FASTA file	B1 B2 B3 B4 B5 B6 B7 B8 S A V I S Q K P B9 B10 B11 B12 B13 B14 B15 B16 S R D I C Q R G B17 B18 B19 B20 B21 B22 B23 B24 T S L T I Q C Q B25 B26 B27 B28 B29 B37 B38 B39 V D S Q V T M M B40 B41 B42 B43 B44 B45 B46 B47 F W Y R Q Q P G B48 B49 B50 B51 B52 B53 B54 B55 Q S L T L I A T B56 B57 B58 B59 B63 B64 B65 B66 A N Q G S E A T B67 B68 B69 B70 B71 B72 B73 B74 Y E S G F V I D B75 B76 B77 B78 B79 B80 B81 B83 K F P I S R P N B84 B85 B86 B87 B88 B89 B90 B91 L T F S T L T V B92 B93 B94 B95 B96 B97 B98 B99 S N M S P E D S B100 B101 B102 B103 B104 B105 B106 B107 S I Y L C S V G B108 B109 B110 B111 B112A B112 B113 B114 G D S L I G N Q B115 B116 B117 B118 B119 B120 B121 B122 P Q H F G D G T B123 B124 B125 B126 B127 R L S I L
VA	E	FASTA file	A1 A2 A3 A4 A5 A6 A7 A8 Q K E V E Q N S A9 A10 A11 A12 A13 A14 A15 A16 G P L S V P E G A17 A18 A19 A20 A21 A22 A23 A24 A I A S L N C T A25 A26 A27 A28 A29 A36 A37 A38 Y S D R G S Q S A39 A40 A41 A42 A43 A44 A45 A46 F F W Y R Q Y S A47 A48 A49 A50 A51 A52 A53 A54 G K S P E L I M A55 A56 A57 A58 A63 A64 A65 A66 F I Y S N G D K A67 A68 A74 A75 A76 A77 A78 A79 E D G R F T A Q A80 A81 A82 A83 A84 A85 A86 A87 L N K A S Q Y V A88 A89 A90 A91 A92 A93 A94 A95 S L L I R D S Q A96 A97 A98 A99 A100 A101 A102 A103 P S D S A T Y L A104 A105 A106 A107 A108 A109 A113 A114 C A V R D A G N A115 A116 A117 A118 A119 A120 A121 A122 M L T F G G G T A123 A124 A125 A126 A127 A128 R L M V K P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	SVGGDSLIGNQPQH	None	14
CDRB2	ANQGSEA	None	7
CDRB1	SQVTM	None	5
CDRA3	AVRDAGNMLT	None	10
CDRA2	IYSNGD	None	6
CDRA1	DRGSQS	None	6

Orientation and docking angles:

Angle	Value
BC2	104.15°
BC1	71.19°
BA	-47.39°
AC2	84.80°
AC1	127.18°
dc	17.21Å
Docking angle	51.04°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
6xqq_BA	104.49°	70.41°	-45.45°	84.55°	126.96°	16.97Å	2.2
3vxu_ED	106.29°	69.31°	-49.40°	85.23°	125.93°	17.29Å	3.7
3vxt_DC	105.54°	68.24°	-49.02°	82.96°	128.68°	17.67Å	4.4
5fka_BA	103.41°	72.55°	-49.57°	85.03°	124.03°	15.76Å	4.4
2cde_DC	103.64°	70.43°	-50.60°	83.45°	129.89°	17.47Å	4.5

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
3mnw_BA	107.15°	71.13°	-53.34°	82.80°	121.51°	16.47Å	9.0
5aum_AB	108.02°	70.08°	-43.21°	85.51°	119.94°	16.13Å	9.4
4qth_AB	111.26°	70.26°	-51.98°	83.39°	123.62°	16.07Å	9.4
1cfn_BA	107.76°	67.31°	-50.48°	85.90°	120.10°	16.45Å	9.5
4ydl_HL	108.56°	70.76°	-54.72°	85.96°	123.49°	15.98Å	9.5

TCR Details:

Item	Info
VB chain	H
VA chain	G
VB IMGT details	TRBV29/TRBJ1
VA IMGT details	TRAV12/TRAJ39
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 S A V I S Q K P B9 B10 B11 B12 B13 B14 B15 B16 S R D I C Q R G B17 B18 B19 B20 B21 B22 B23 B24 T S L T I Q C Q B25 B26 B27 B28 B29 B37 B38 B39 V D S Q V T M M B40 B41 B42 B43 B44 B45 B46 B47 F W Y R Q Q P G B48 B49 B50 B51 B52 B53 B54 B55 Q S L T L I A T B56 B57 B58 B59 B63 B64 B65 B66 A N Q G S E A T B67 B68 B69 B70 B71 B72 B73 B74 Y E S G F V I D B75 B76 B77 B78 B79 B80 B81 B83 K F P I S R P N B84 B85 B86 B87 B88 B89 B90 B91 L T F S T L T V B92 B93 B94 B95 B96 B97 B98 B99 S N M S P E D S B100 B101 B102 B103 B104 B105 B106 B107 S I Y L C S V G B108 B109 B110 B111 B112A B112 B113 B114 G D S L I G N Q B115 B116 B117 B118 B119 B120 B121 B122 P Q H F G D G T B123 B124 B125 B126 B127 R L S I L
VA	G	FASTA file	A1 A2 A3 A4 A5 A6 A7 A8 Q K E V E Q N S A9 A10 A11 A12 A13 A14 A15 A16 G P L S V P E G A17 A18 A19 A20 A21 A22 A23 A24 A I A S L N C T A25 A26 A27 A28 A29 A36 A37 A38 Y S D R G S Q S A39 A40 A41 A42 A43 A44 A45 A46 F F W Y R Q Y S A47 A48 A49 A50 A51 A52 A53 A54 G K S P E L I M A55 A56 A57 A58 A63 A64 A65 A66 F I Y S N G D K A67 A68 A74 A75 A76 A77 A78 A79 E D G R F T A Q A80 A81 A82 A83 A84 A85 A86 A87 L N K A S Q Y V A88 A89 A90 A91 A92 A93 A94 A95 S L L I R D S Q A96 A97 A98 A99 A100 A101 A102 A103 P S D S A T Y L A104 A105 A106 A107 A108 A109 A113 A114 C A V R D A G N A115 A116 A117 A118 A119 A120 A121 A122 M L T F G G G T A123 A124 A125 A126 A127 A128 R L M V K P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	SVGGDSLIGNQPQH	None	14
CDRB2	ANQGSEA	None	7
CDRB1	SQVTM	None	5
CDRA3	AVRDAGNMLT	None	10
CDRA2	IYSNGD	None	6
CDRA1	DRGSQS	None	6

Orientation and docking angles:

Angle	Value
BC2	103.80°
BC1	71.51°
BA	-48.22°
AC2	84.50°
AC1	126.59°
dc	16.88Å
Docking angle	51.79°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
6xqq_BA	104.49°	70.41°	-45.45°	84.55°	126.96°	16.97Å	3.1
5fka_BA	103.41°	72.55°	-49.57°	85.03°	124.03°	15.76Å	3.3
3vxu_ED	106.29°	69.31°	-49.40°	85.23°	125.93°	17.29Å	3.7
2cde_DC	103.64°	70.43°	-50.60°	83.45°	129.89°	17.47Å	4.4
3vxt_DC	105.54°	68.24°	-49.02°	82.96°	128.68°	17.67Å	4.7

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
3mnw_BA	107.15°	71.13°	-53.34°	82.80°	121.51°	16.47Å	8.2
3mnz_BA	108.41°	71.26°	-53.27°	82.05°	121.70°	16.38Å	8.8
4ydl_HL	108.56°	70.76°	-54.72°	85.96°	123.49°	15.98Å	8.8
1fj1_DC	109.78°	71.11°	-51.69°	80.11°	123.02°	16.12Å	9.0
4qth_AB	111.26°	70.26°	-51.98°	83.39°	123.62°	16.07Å	9.1