TCR Details:

Item	Info
VB chain	E
VA chain	D
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-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
Antigen residue	TKG

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 N A G V T Q T P B9 B10 B11 B12 B13 B14 B15 B16 K F Q V L K T G B17 B18 B19 B20 B21 B22 B23 B24 Q S M T L Q C A B25 B26 B27 B28 B29 B37 B38 B39 Q D M N H N S M B40 B41 B42 B43 B44 B45 B46 B47 Y W Y R Q D P G B48 B49 B50 B51 B52 B53 B54 B55 M G L R L I Y Y B56 B57 B58 B63 B64 B65 B66 B67 S A S E G T T D B68 B69 B70 B71 B72 B74 B75 B76 K G E V P N G Y B77 B78 B79 B80 B81 B83 B84 B85 N V S R L N K R B86 B87 B88 B89 B90 B91 B92 B93 E F S L R L E S B94 B95 B96 B97 B98 B99 B100 B101 A A P S Q T S V B102 B103 B104 B105 B106 B107 B108 B109 Y F C A S S V W B110 B111 B112A B112 B113 B114 B115 B116 T G E G S G E L B117 B118 B119 B120 B121 B122 B123 B124 F F G E G S R L B125 B126 B127 T V L
VA	D	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 K D S N Y 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	ASSVWTGEGSGELF	None	14
CDRB2	SASEGT	None	6
CDRB1	MNHNS	None	5
CDRA3	AVKDSNYQLI	None	10
CDRA2	NVLDGL	None	6
CDRA1	TSGFNG	A1-6-F	6

Orientation and docking angles:

Angle	Value
BC2	103.85°
BC1	73.38°
BA	-62.07°
AC2	80.26°
AC1	123.65°
dc	16.64Å
Docking angle	58.69°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
4nqc_ED	103.49°	73.33°	-62.17°	80.28°	124.02°	16.70Å	0.5
6puc_ED	103.81°	73.18°	-61.75°	80.40°	124.02°	16.71Å	0.6
4nqe_HG	103.90°	73.12°	-61.72°	80.47°	123.95°	16.72Å	0.6
4l4v_HG	103.17°	73.47°	-61.96°	80.33°	123.80°	16.77Å	0.7
6puj_ED	103.49°	73.27°	-61.46°	80.55°	123.73°	16.75Å	0.8

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	6.4
3s96_AB	107.61°	73.57°	-66.51°	82.70°	120.78°	16.43Å	6.9
1nma_HL	109.88°	72.48°	-61.03°	81.63°	120.29°	16.40Å	7.2
1nmc_HL	110.09°	71.80°	-64.06°	80.19°	120.88°	16.16Å	7.3
1ghf_HL	110.63°	71.68°	-61.52°	81.98°	122.12°	16.05Å	7.4

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	A
Antigen Type	Hapten
Antigen Organism	HOMO SAPIENS
Antigen name	1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
Antigen residue	TKG

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 N A G V T Q T P B9 B10 B11 B12 B13 B14 B15 B16 K F Q V L K T G B17 B18 B19 B20 B21 B22 B23 B24 Q S M T L Q C A B25 B26 B27 B28 B29 B37 B38 B39 Q D M N H N S M B40 B41 B42 B43 B44 B45 B46 B47 Y W Y R Q D P G B48 B49 B50 B51 B52 B53 B54 B55 M G L R L I Y Y B56 B57 B58 B63 B64 B65 B66 B67 S A S E G T T D B68 B69 B70 B71 B72 B74 B75 B76 K G E V P N G Y B77 B78 B79 B80 B81 B83 B84 B85 N V S R L N K R B86 B87 B88 B89 B90 B91 B92 B93 E F S L R L E S B94 B95 B96 B97 B98 B99 B100 B101 A A P S Q T S V B102 B103 B104 B105 B106 B107 B108 B109 Y F C A S S V W B110 B111 B112A B112 B113 B114 B115 B116 T G E G S G E L B117 B118 B119 B120 B121 B122 B123 B124 F F G E G S R L B125 B126 B127 T 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 K D S N Y 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	ASSVWTGEGSGELF	None	14
CDRB2	SASEGT	None	6
CDRB1	MNHNS	None	5
CDRA3	AVKDSNYQLI	None	10
CDRA2	NVLDGL	None	6
CDRA1	TSGFNG	A1-6-F	6

Orientation and docking angles:

Angle	Value
BC2	103.79°
BC1	73.99°
BA	-64.96°
AC2	78.82°
AC1	123.06°
dc	16.43Å
Docking angle	61.50°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
4nqe_ED	103.94°	73.92°	-64.91°	79.02°	122.86°	16.52Å	0.3
5u6q_ED	103.89°	74.02°	-64.85°	78.65°	122.86°	16.42Å	0.3
6puj_GB	103.85°	73.94°	-64.58°	78.91°	122.95°	16.51Å	0.4
6w9v_HG	103.88°	74.00°	-65.10°	78.42°	123.01°	16.49Å	0.4
4l4v_ED	103.99°	73.92°	-64.98°	79.27°	123.23°	16.55Å	0.5

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
3s96_AB	107.61°	73.57°	-66.51°	82.70°	120.78°	16.43Å	6.1
4dcq_BA	108.30°	73.42°	-64.76°	82.94°	120.98°	16.23Å	6.5
5jue_HL	106.42°	70.98°	-68.16°	76.41°	119.66°	16.06Å	6.6
4yfl_FI	106.92°	71.36°	-64.48°	73.60°	120.95°	15.85Å	7.0
1nmc_HL	110.09°	71.80°	-64.06°	80.19°	120.88°	16.16Å	7.2