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; N-(6-FORMYL-4-OXO-3,4-DIHYDROPTERIDIN-2-YL)ACETAMIDE
Antigen residue	B3P | 30W

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	103.82°
BC1	72.61°
BA	-59.27°
AC2	80.63°
AC1	124.00°
dc	16.56Å
Docking angle	56.05°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
6pug_ED	103.58°	72.88°	-60.35°	80.20°	123.58°	16.68Å	1.3
5d7j_HG	104.60°	72.67°	-60.32°	80.40°	123.64°	16.71Å	1.4
5u1r_GB	103.39°	73.02°	-60.50°	80.34°	124.17°	16.71Å	1.4
6puk_ED	103.74°	72.74°	-60.61°	80.55°	124.32°	16.82Å	1.4
3e3q_ED	103.32°	72.06°	-59.90°	80.87°	125.10°	16.80Å	1.5

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	7.4
3bgf_BC	109.96°	71.90°	-55.10°	81.62°	123.51°	15.76Å	7.6
1ghf_HL	110.63°	71.68°	-61.52°	81.98°	122.12°	16.05Å	7.6
4hxb_HL	109.66°	72.24°	-59.19°	82.14°	119.35°	16.41Å	7.6
3mnw_BA	107.15°	71.13°	-53.34°	82.80°	121.51°	16.47Å	7.7

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; N-(6-FORMYL-4-OXO-3,4-DIHYDROPTERIDIN-2-YL)ACETAMIDE
Antigen residue	B3P | 30W

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	104.62°
BC1	73.12°
BA	-62.91°
AC2	78.97°
AC1	123.27°
dc	16.44Å
Docking angle	58.74°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
4pj7_FE	104.93°	73.02°	-62.94°	79.01°	123.61°	16.69Å	0.5
5d5m_FE	104.63°	72.97°	-63.14°	79.47°	123.36°	16.58Å	0.6
5d7j_BA	103.93°	72.68°	-63.07°	79.25°	122.97°	16.57Å	0.9
5u1r_ED	104.10°	73.42°	-63.68°	78.68°	123.26°	16.55Å	1.0
4pja_HG	104.00°	72.79°	-63.36°	79.29°	123.58°	16.70Å	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	6.2
1nmc_HL	110.09°	71.80°	-64.06°	80.19°	120.88°	16.16Å	6.3
3s96_AB	107.61°	73.57°	-66.51°	82.70°	120.78°	16.43Å	6.5
4yfl_FI	106.92°	71.36°	-64.48°	73.60°	120.95°	15.85Å	6.7
1nma_HL	109.88°	72.48°	-61.03°	81.63°	120.29°	16.40Å	6.9