TCR Details:

Item	Info
VB chain	F
VA chain	E
VB IMGT details	TRBV6/TRBJ1
VA IMGT details	TRAV1/TRAJ33
Species	human

Antigen Details:

Item	Info
Antigen Chain	A | A
Antigen Type	Unknown
Antigen Organism	HOMO SAPIENS
Antigen name	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; 1-DEOXY-1-({2,6-DIOXO-5-[(E)-(2-OXOPROPYLIDENE)AMINO]-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL}AMINO)-D-RIBITOL
Antigen residue	B3P | 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 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 A A B110 B111 B112 B113 B114 B115 B116 B117 V E G G N T I Y B118 B119 B120 B121 B122 B123 B124 B125 F G E G S R L T B126 B127 V L
VA	E	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 R 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	ASSAAVEGGNTIY	None	13
CDRB2	SASEGT	None	6
CDRB1	MNHNS	None	5
CDRA3	AVRDSNYQLI	None	10
CDRA2	NVLDGL	None	6
CDRA1	TSGFNG	A1-6-F	6

Orientation and docking angles:

Angle	Value
BC2	102.47°
BC1	72.37°
BA	-59.74°
AC2	79.13°
AC1	123.72°
dc	16.65Å
Docking angle	59.92°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
7ow6_ED	102.49°	72.80°	-58.89°	79.33°	124.44°	16.95Å	1.2
8ye4_JI	102.33°	71.38°	-60.49°	78.95°	124.12°	17.10Å	1.4
6pug_ED	103.58°	72.88°	-60.35°	80.20°	123.58°	16.68Å	1.7
3rev_BA	101.29°	71.79°	-60.65°	78.74°	124.05°	16.31Å	1.7
4pji_HG	102.90°	73.29°	-61.00°	79.63°	123.90°	16.81Å	1.7

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
1cfq_BA	106.86°	67.47°	-56.63°	80.83°	119.58°	16.37Å	8.5
1nma_HL	109.88°	72.48°	-61.03°	81.63°	120.29°	16.40Å	8.6
4hxb_HL	109.66°	72.24°	-59.19°	82.14°	119.35°	16.41Å	9.0
3mo1_BA	109.77°	73.00°	-58.46°	81.03°	119.12°	16.26Å	9.0
1ghf_HL	110.63°	71.68°	-61.52°	81.98°	122.12°	16.05Å	9.0

TCR Details:

Item	Info
VB chain	H
VA chain	G
VB IMGT details	TRBV6/TRBJ1
VA IMGT details	TRAV1/TRAJ33
Species	human

Antigen Details:

Item	Info
Antigen Chain	C | C
Antigen Type	Unknown
Antigen Organism	HOMO SAPIENS
Antigen name	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; 1-DEOXY-1-({2,6-DIOXO-5-[(E)-(2-OXOPROPYLIDENE)AMINO]-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL}AMINO)-D-RIBITOL
Antigen residue	B3P | 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 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 A A B110 B111 B112 B113 B114 B115 B116 B117 V E G G N T I Y 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 R 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	ASSAAVEGGNTIY	None	13
CDRB2	SASEGT	None	6
CDRB1	MNHNS	None	5
CDRA3	AVRDSNYQLI	None	10
CDRA2	NVLDGL	None	6
CDRA1	TSGFNG	A1-6-F	6

Orientation and docking angles:

Angle	Value
BC2	103.15°
BC1	72.48°
BA	-61.53°
AC2	78.37°
AC1	123.38°
dc	16.57Å
Docking angle	61.48°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
3qh3_DC	103.38°	73.21°	-61.36°	77.35°	122.64°	16.34Å	1.5
8i5c_nm	104.21°	72.97°	-60.48°	78.59°	123.50°	16.53Å	1.6
6pvc_FE	103.37°	72.87°	-61.55°	79.93°	123.71°	16.68Å	1.7
4pjf_HG	103.12°	73.06°	-61.65°	79.97°	123.64°	16.66Å	1.7
4pji_HG	102.90°	73.29°	-61.00°	79.63°	123.90°	16.81Å	1.7

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
4yfl_FI	106.92°	71.36°	-64.48°	73.60°	120.95°	15.85Å	7.3
4dcq_BA	108.30°	73.42°	-64.76°	82.94°	120.98°	16.23Å	8.0
1nmc_HL	110.09°	71.80°	-64.06°	80.19°	120.88°	16.16Å	8.0
1nma_HL	109.88°	72.48°	-61.03°	81.63°	120.29°	16.40Å	8.1
3s96_AB	107.61°	73.57°	-66.51°	82.70°	120.78°	16.43Å	8.5