TCR Details:

Item	Info
VB chain	E
VA chain	D
VB IMGT details	TRBV28/TRBJ2
VA IMGT details	TRAV36/TRAJ34
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 | 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	E	FASTA file	B1 B2 B3 B4 B5 B6 B7 B8 D V K V T Q S S B9 B10 B11 B12 B13 B14 B15 B16 R Y L V K R T G B17 B18 B19 B20 B21 B22 B23 B24 E K V F L E C V B25 B26 B27 B28 B29 B37 B38 B39 Q D M D H E N M B40 B41 B42 B43 B44 B45 B46 B47 F W Y R Q D P G B48 B49 B50 B51 B52 B53 B54 B55 L G L R L I Y F B56 B57 B58 B63 B64 B65 B66 B67 S Y D V K M K E B68 B69 B70 B71 B72 B74 B75 B76 K G D I P E G Y B77 B78 B79 B80 B81 B83 B84 B85 S V S R D K K E B86 B87 B88 B89 B90 B91 B92 B93 R F S L I L E S B94 B95 B96 B97 B98 B99 B100 B101 A S T N Q T S M B102 B103 B104 B105 B106 B107 B108 B109 Y L C A S S P S B110 B112 B113 B114 B115 B116 B117 B118 G Y Q E T Q Y F B119 B120 B121 B122 B123 B124 B125 B126 G P G T R L L V B127 L
VA	D	FASTA file	A2 A3 A4 A5 A6 A7 A8 A9 D K V V Q S P L A10 A11 A12 A13 A14 A15 A16 A17 S L V V H E G D A18 A19 A20 A21 A22 A23 A24 A25 T V T L N C S Y A26 A27 A28 A29 A36 A37 A38 A39 E V T N F R S L A40 A41 A42 A43 A44 A45 A46 A48 L W Y K Q E K K A49 A50 A51 A52 A53 A54 A55 A56 A P T F L F M L A57 A58 A59 A63 A64 A65 A66 A67 T S S G I E K K A68 A74 A75 A76 A77 A78 A79 A80 S G R L S S I L A81 A82 A83 A84 A85 A86 A87 A88 D K K E L S S I A89 A90 A91 A92 A93 A94 A95 A96 L N I T A T Q T A97 A98 A99 A100 A101 A102 A103 A104 G D S A I Y L C A105 A106 A107 A108 A109 A114 A115 A116 A A Y N T D K L A117 A118 A119 A120 A121 A122 A123 A124 I F G T G T R L A125 A126 A127 A128 Q V F P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSPSGYQETQY	None	12
CDRB2	SYDVKM	None	6
CDRB1	MDHEN	None	5
CDRA3	AAYNTDKLI	None	9
CDRA2	LTSSGIE	None	7
CDRA1	VTNFRS	None	6

Orientation and docking angles:

Angle	Value
BC2	101.37°
BC1	72.18°
BA	-70.30°
AC2	75.68°
AC1	121.34°
dc	16.81Å
Docking angle	42.51°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
2cdg_BA	101.93°	71.70°	-70.24°	76.68°	122.64°	16.70Å	1.8
5swz_ON	102.92°	72.97°	-69.95°	76.37°	122.18°	16.87Å	2.1
5swz_JI	101.31°	73.66°	-71.00°	74.12°	121.61°	16.68Å	2.3
5swz_ED	102.97°	72.96°	-69.53°	75.98°	122.86°	16.87Å	2.5
7jwi_ED	102.83°	72.70°	-70.72°	73.61°	121.98°	16.76Å	2.7

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
5jue_HL	106.42°	70.98°	-68.16°	76.41°	119.66°	16.06Å	6.0
12e8_HL	106.48°	69.23°	-70.96°	74.63°	118.60°	16.05Å	6.7
1n4x_IM	107.07°	73.94°	-70.53°	72.40°	121.78°	15.58Å	6.9
4yfl_FI	106.92°	71.36°	-64.48°	73.60°	120.95°	15.85Å	8.4
4uin_HL	107.61°	70.78°	-70.27°	77.14°	115.22°	16.35Å	9.0

TCR Details:

Item	Info
VB chain	H
VA chain	G
VB IMGT details	TRBV28/TRBJ2
VA IMGT details	TRAV36/TRAJ34
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	H	FASTA file	B1 B2 B3 B4 B5 B6 B7 B8 D V K V T Q S S B9 B10 B11 B12 B13 B14 B15 B16 R Y L V K R T G B17 B18 B19 B20 B21 B22 B23 B24 E K V F L E C V B25 B26 B27 B28 B29 B37 B38 B39 Q D M D H E N M B40 B41 B42 B43 B44 B45 B46 B47 F W Y R Q D P G B48 B49 B50 B51 B52 B53 B54 B55 L G L R L I Y F B56 B57 B58 B63 B64 B65 B66 B67 S Y D V K M K E B68 B69 B70 B71 B72 B74 B75 B76 K G D I P E G Y B77 B78 B79 B80 B81 B83 B84 B85 S V S R D K K E B86 B87 B88 B89 B90 B91 B92 B93 R F S L I L E S B94 B95 B96 B97 B98 B99 B100 B101 A S T N Q T S M B102 B103 B104 B105 B106 B107 B108 B109 Y L C A S S P S B110 B112 B113 B114 B115 B116 B117 B118 G Y Q E T Q Y F B119 B120 B121 B122 B123 B124 B125 B126 G P G T R L L V B127 L
VA	G	FASTA file	A2 A3 A4 A5 A6 A7 A8 A9 D K V V Q S P L A10 A11 A12 A13 A14 A15 A16 A17 S L V V H E G D A18 A19 A20 A21 A22 A23 A24 A25 T V T L N C S Y A26 A27 A28 A29 A36 A37 A38 A39 E V T N F R S L A40 A41 A42 A43 A44 A45 A46 A48 L W Y K Q E K K A49 A50 A51 A52 A53 A54 A55 A56 A P T F L F M L A57 A58 A59 A63 A64 A65 A66 A67 T S S G I E K K A68 A74 A75 A76 A77 A78 A79 A80 S G R L S S I L A81 A82 A83 A84 A85 A86 A87 A88 D K K E L S S I A89 A90 A91 A92 A93 A94 A95 A96 L N I T A T Q T A97 A98 A99 A100 A101 A102 A103 A104 G D S A I Y L C A105 A106 A107 A108 A109 A114 A115 A116 A A Y N T D K L A117 A118 A119 A120 A121 A122 A123 A124 I F G T G T R L A125 A126 A127 A128 Q V F P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSPSGYQETQY	None	12
CDRB2	SYDVKM	None	6
CDRB1	MDHEN	None	5
CDRA3	AAYNTDKLI	None	9
CDRA2	LTSSGIE	None	7
CDRA1	VTNFRS	None	6

Orientation and docking angles:

Angle	Value
BC2	100.58°
BC1	73.05°
BA	-69.45°
AC2	73.19°
AC1	120.48°
dc	16.93Å
Docking angle	43.53°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
5swz_JI	101.31°	73.66°	-71.00°	74.12°	121.61°	16.68Å	2.3
5sws_ED	98.74°	73.37°	-69.99°	73.69°	118.68°	16.27Å	2.8
6cqr_ED	102.63°	72.40°	-68.09°	74.17°	120.23°	15.99Å	2.9
7jwi_ED	102.83°	72.70°	-70.72°	73.61°	121.98°	16.76Å	3.0
6vmx_JI	98.32°	72.14°	-68.27°	72.16°	119.17°	16.56Å	3.2

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
1n4x_IM	107.07°	73.94°	-70.53°	72.40°	121.78°	15.58Å	6.9
5jue_HL	106.42°	70.98°	-68.16°	76.41°	119.66°	16.06Å	7.2
12e8_HL	106.48°	69.23°	-70.96°	74.63°	118.60°	16.05Å	7.6
4yfl_FI	106.92°	71.36°	-64.48°	73.60°	120.95°	15.85Å	8.3
4uim_CD	109.21°	71.18°	-68.12°	75.36°	117.53°	16.19Å	9.7