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Probable non-functional T cell receptor beta variable 7-3

Probable non-functional open reading frame (ORF) of V region of the variable domain of T cell receptor (TR) beta chain¹. Non-functional ORF generally cannot participate in the synthesis of a productive T cell receptor (TR) chain due to altered V-(D)-J or switch recombination and/or splicing site (at mRNA level) and/or conserved amino acid change (protein level)². Alpha-beta T cell receptors are antigen specific receptors which are essential to the immune response and are present on the cell surface of T lymphocytes. Recognize peptide-major histocompatibility (MH) (pMH) complexes that are displayed by antigen presenting cells (APC), a prerequisite for efficient T cell adaptive immunity against pathogens³. Binding of alpha-beta TR to pMH complex initiates TR-CD3 clustering on the cell surface and intracellular activation of LCK that phosphorylates the ITAM motifs of CD3G, CD3D, CD3E and CD247 enabling the recruitment of ZAP70. In turn ZAP70 phosphorylates LAT, which recruits numerous signaling molecules to form the LAT signalosome. The LAT signalosome propagates signal branching to three major signaling pathways, the calcium, the mitogen-activated protein kinase (MAPK) kinase and the nuclear factor NF-kappa-B (NF-kB) pathways, leading to the mobilization of transcription factors that are critical for gene expression and essential for T cell growth and differentiation⁴. The T cell repertoire is generated in the thymus, by V-(D)-J rearrangement. This repertoire is then shaped by intrathymic selection events to generate a peripheral T cell pool of self-MH restricted, non-autoaggressive T cells. Post-thymic interaction of alpha-beta TR with the pMH complexes shapes TR structural and functional avidity⁵.

AlphaFold DB , UniProt , Accession A0A075B6L6, Species HUMAN (Homo sapiens, Human), Gene TRBV7-3, Length 115 aa.

						>TVB73_HUMAN|A0A075B6L6|TRBV7-3
MGTRLLCWAALCLLGADHTGAGVSQTPSNKVTEKGKDVELRCDPISGHTALYWYRQSLGQGPEFLIYFQGTGAADDSGLPKDRFFAVRPEGSVSTLKIQRTEQGDSAAYLRASSL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	53.6	Low	254 Å²	254	157.1 Å²	157.1	100%	1.251	86%	0.864	S	S	*	*				0	117.1	0	-66.8	163.8	98.6	0	0	107.3
2	G	41.5	Very low	53.8	Low	73 Å²	73	152.8 Å²	152.8	75%	0.753	85%	0.852	S	S	*	*			trans	165.5	72.8	-175.8	0	0	0	0	0	111.7	R4	G2-R4 PolarHBondContact O-N 3.29Å
3	T	52.6	Low	54.4	Low	136 Å²	136	152.5 Å²	152.5	83%	0.834	85%	0.846	S	S	*	*			trans	-52.7	112.7	174.2	35.7	0	0	0	0	111.8
4	R	54.2	Low	54.4	Low	237 Å²	237	153.1 Å²	153.1	89%	0.894	85%	0.846	S	S	*	*			trans	-91.4	99.2	165.9	-79.6	-176.2	161.8	-174.5	-4.5	108.6	G2 L6	G2-R4 PolarHBondContact O-N 3.29Å; R4-L6 PolarHBondContact O-N 3.01Å
5	L	55.1	Low	54.3	Low	167 Å²	167	147.1 Å²	147.1	87%	0.874	83%	0.832	S	S	*	*			trans	-54.6	102.6	168	-75.3	147.8	0	0	0	108.3	C7	L5-C7 PolarHBondContact O-N 3.31Å; L5-C7 VanDerWaalsContact O-N 3.17Å
6	L	55.6	Low	54.3	Low	158 Å²	158	143.7 Å²	143.7	83%	0.827	83%	0.828	S	S	*	*			trans	-66.6	112.5	173.5	-76.1	161.1	0	0	0	107.5	R4 W8	R4-L6 PolarHBondContact O-N 3.01Å; L6-W8 PolarHBondContact O-N 3.17Å
7	C	56.7	Low	53.9	Low	130 Å²	130	143.2 Å²	143.2	88%	0.878	82%	0.822	S	S	*	*			trans	-64.9	115	-177.4	-158.6	0	0	0	0	109.6	L5 A9	L5-C7 PolarHBondContact O-N 3.31Å; L5-C7 VanDerWaalsContact O-N 3.17Å; C7-A9 PolarHBondContact O-N 3.39Å
8	W	52.8	Low	53.8	Low	247 Å²	247	144.9 Å²	144.9	94%	0.936	82%	0.822	S	S	*	*			trans	-73.5	92	178.8	-71.4	54.6	0	0	0	108.7	L6 A10	L6-W8 PolarHBondContact O-N 3.17Å; W8-A10 VanDerWaalsContact C-N 3.33Å; W8-A10 PolarHBondContact O-N 3.01Å
9	A	58.3	Low	53.4	Low	93 Å²	93	144.1 Å²	144.1	77%	0.769	82%	0.82	S	S	*	*			trans	-72	93.4	165.2	0	0	0	0	0	108	C7 L11	C7-A9 PolarHBondContact O-N 3.39Å; A9-L11 VanDerWaalsContact C-N 3.3Å; A9-L11 PolarHBondContact O-N 3Å
10	A	62.3	Low	53.5	Low	88 Å²	88	140.4 Å²	140.4	73%	0.727	82%	0.815	S	S	*	*			trans	-66.3	94.9	165.5	0	0	0	0	0	107.5	W8 C12	W8-A10 VanDerWaalsContact C-N 3.33Å; W8-A10 PolarHBondContact O-N 3.01Å; A10-C12 VanDerWaalsContact C-N 3.31Å; A10-C12 PolarHBondContact O-N 2.97Å
11	L	62.5	Low	53.6	Low	145 Å²	145	136.8 Å²	136.8	76%	0.759	80%	0.802	S	S	*	*			trans	-70.3	92	173.9	-166.3	73.6	0	0	0	107.2	A9 L13	A9-L11 VanDerWaalsContact C-N 3.3Å; A9-L11 PolarHBondContact O-N 3Å; L11-L13 HydrophobicContact CD2-CD2 3.98Å; L11-L13 HydrophobicContact CD2-CG 4.43Å; L11-L13 HydrophobicContact CG-CD2 4.3Å; L11-L13 PolarHBondContact O-N 3.39Å
12	C	56.5	Low	55	Low	106 Å²	106	126.8 Å²	126.8	72%	0.716	76%	0.764	S	S	*	*			trans	-65	89	170.9	-67	0	0	0	0	108.2	A10 L14	A10-C12 VanDerWaalsContact C-N 3.31Å; A10-C12 PolarHBondContact O-N 2.97Å; C12-L14 VanDerWaalsContact C-N 3.26Å; C12-L14 PolarHBondContact O-N 3.11Å
13	L	61.3	Low	56.3	Low	148 Å²	148	124.6 Å²	124.6	78%	0.775	74%	0.736	S	S	*	*			trans	-66.9	93.4	165	-64.8	173	0	0	0	106	L11 G15	L11-L13 HydrophobicContact CD2-CD2 3.98Å; L11-L13 HydrophobicContact CD2-CG 4.43Å; L11-L13 HydrophobicContact CG-CD2 4.3Å; L11-L13 PolarHBondContact O-N 3.39Å; L13-G15 PolarHBondContact O-N 3.5Å
14	L	54.8	Low	57.7	Low	161 Å²	161	121.1 Å²	121.1	84%	0.843	72%	0.717	S	S	*	*			trans	-59.3	97.3	161.6	-81.6	97.9	0	0	0	105.9	C12 A16	C12-L14 VanDerWaalsContact C-N 3.26Å; C12-L14 PolarHBondContact O-N 3.11Å; L14-A16 PolarHBondContact O-N 2.8Å
15	G	53.1	Low	59.1	Low	63 Å²	63	112.3 Å²	112.3	65%	0.649	69%	0.686	S	S	*	*			trans	-59	98.1	161.9	0	0	0	0	0	106.2	L13 D17	L13-G15 PolarHBondContact O-N 3.5Å; G15-D17 PolarHBondContact O-N 2.83Å
16	A	53.5	Low	60.7	Low	93 Å²	93	108.5 Å²	108.5	77%	0.769	67%	0.67	S	S	*	*			trans	-67.9	84.3	160.9	0	0	0	0	0	105.5	L14 H18	L14-A16 PolarHBondContact O-N 2.8Å; A16-H18 VanDerWaalsContact C-N 3.35Å; A16-H18 PolarHBondContact O-N 2.94Å
17	D	48	Very low	62.4	Low	136 Å²	136	102.9 Å²	102.9	73%	0.727	64%	0.643	S	S	*	*			trans	-55.6	108.3	163.8	-87	-24.9	0	0	0	105.6	G15 T19	G15-D17 PolarHBondContact O-N 2.83Å; D17-T19 HydrophobicContact CB-CG2 4.21Å; D17-T19 PolarHBondContact O-N 2.95Å; D17-T19 PolarHBondContact O-OG1 3.03Å
18	H	52.3	Low	63.9	Low	174 Å²	174	101.8 Å²	101.8	81%	0.806	64%	0.636	S	S	*	*			trans	-70.1	65.2	178.4	-157.1	85.9	0	0	0	108.1	A16 G20	A16-H18 VanDerWaalsContact C-N 3.35Å; A16-H18 PolarHBondContact O-N 2.94Å; H18-G20 PolarHBondContact O-N 2.77Å
19	T	46.7	Very low	65.7	Low	128 Å²	128	95.9 Å²	95.9	79%	0.785	62%	0.623	S	S	*	*			trans	-75.6	109.1	178.8	36.5	0	0	0	0	107.4	D17	D17-T19 HydrophobicContact CB-CG2 4.21Å; D17-T19 PolarHBondContact O-N 2.95Å; D17-T19 PolarHBondContact O-OG1 3.03Å
20	G	53.7	Low	67.4	Low	71 Å²	71	97.2 Å²	97.2	73%	0.732	61%	0.612	S	S	*	*			trans	95.5	27.3	147.2	0	0	0	0	0	118	H18 G22	H18-G20 PolarHBondContact O-N 2.77Å; G20-G22 PolarHBondContact O-N 3.03Å; G20-G22 VanDerWaalsContact O-N 3.15Å
21	A	56.1	Low	69	Low	64 Å²	64	99.4 Å²	99.4	53%	0.529	62%	0.616	S	S	.	*			trans	-67.5	109.1	145.9	0	0	0	0	0	105.6	V23	A21-V23 PolarHBondContact O-N 3.4Å
22	G	68.3	Low	70.5	Confident	44 Å²	44	95.2 Å²	95.2	45%	0.454	60%	0.596	S	S	.	*	S	Bend	trans	-65.5	15.5	-174.4	0	0	0	0	0	114.9	G20 P44 I45	G20-G22 PolarHBondContact O-N 3.03Å; G20-G22 VanDerWaalsContact O-N 3.15Å; G22-P44 CarbonylContact O-C 3.49Å; G22-I45 VanDerWaalsContact C-CG1 3.49Å; G22-I45 WeakPolarHBondContact O-CA 3.46Å; G22-I45 WeakPolarHBondContact O-CG1 3.31Å; G22-I45 PolarHBondContact O-N 3.2Å
23	V	68.8	Low	72.4	Confident	27 Å²	27	96.8 Å²	96.8	16%	0.164	59%	0.593	C	S	.	*			trans	-114.4	102.4	175.3	-174.4	0	0	0	0	109.1	A21 D43 I45 R111 S113	A21-V23 PolarHBondContact O-N 3.4Å; V23-D43 CarbonylContact C-O 3.58Å; V23-D43 VanDerWaalsContact CA-O 3.24Å; V23-D43 WeakPolarHBondContact CA-O 3.4Å; V23-I45 HydrophobicContact CG2-CD1 4.16Å; V23-I45 HydrophobicContact CG2-CG1 3.66Å; V23-R111 HydrophobicContact CG1-CB 4.19Å; V23-R111 PolarHBondContact O-NH2 2.67Å; V23-S113 VanDerWaalsContact CG2-OG 3.32Å; V23-S113 WeakPolarHBondContact CG2-OG 3.44Å
24	S	82.3	Confident	74	Confident	63 Å²	63	97.7 Å²	97.7	44%	0.441	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	127.9	-174.9	77.5	0	0	0	0	112.6	D43 R111	S24-D43 PolarHBondContact N-O 3.21Å; S24-D43 PolarHBondContact O-N 3.24Å; S24-D43 VanDerWaalsContact O-N 3.11Å; S24-D43 WeakPolarHBondContact OG-CB 3.39Å; S24-R111 VanDerWaalsContact C-CZ 3.47Å; S24-R111 VanDerWaalsContact C-NH2 3.25Å; S24-R111 PolarHBondContact O-NH1 3.4Å
25	Q	83	Confident	76.1	Confident	53 Å²	53	92 Å²	92	25%	0.248	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.2	139.3	179.2	-153.3	155.1	-29.3	0	0	109.2	R41 Y109 R111	Q25-R41 WeakPolarHBondContact CA-O 3.2Å; Q25-Y109 PolarHBondContact NE2-O 2.85Å; Q25-Y109 PolarHBondContact OE1-O 3.23Å; Q25-R111 VanDerWaalsContact CA-NH2 3.33Å; Q25-R111 VanDerWaalsContact N-CZ 3.3Å
26	T	88.3	Confident	78.2	Confident	87 Å²	87	94.1 Å²	94.1	53%	0.534	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.8	127.9	168	-54.1	0	0	0	0	110.6	R41	T26-R41 PolarHBondContact N-O 2.83Å; T26-R41 PolarHBondContact O-N 2.97Å
27	P	91	Very high	80.3	Confident	40 Å²	40	93.2 Å²	93.2	26%	0.26	55%	0.545	S	S	.	.			cis	-74.2	161.8	-9.9	34.2	-37.2	0	0	0	112.4	N29 K30 L40	P27-N29 WeakPolarHBondContact CB-O 3.47Å; P27-K30 HydrophobicContact CG-CB 3.92Å; P27-K30 HydrophobicContact CG-CD 4.31Å; P27-L40 HydrophobicContact CG-CD2 4.31Å
28	S	89	Confident	82.6	Confident	106 Å²	106	87.3 Å²	87.3	74%	0.741	51%	0.513	S	S	*	.	S	Bend	trans	-72.2	-34.8	171.3	51.8	0	0	0	0	112.2
29	N	91.1	Very high	84.8	Confident	124 Å²	124	83.6 Å²	83.6	66%	0.663	50%	0.497	S	S	*	.			trans	-134	136.8	174.3	62.3	-62.7	0	0	0	110.2	P27	P27-N29 WeakPolarHBondContact CB-O 3.47Å
30	K	93.5	Very high	87.2	Confident	121 Å²	121	78 Å²	78	53%	0.526	46%	0.461	S	S	.	.			trans	-132	118.5	175.2	-175.5	65.6	172	-177.3	0	109.5	P27 V38	P27-K30 HydrophobicContact CG-CB 3.92Å; P27-K30 HydrophobicContact CG-CD 4.31Å; K30-V38 HydrophobicContact CG-CG1 3.92Å; K30-V38 HydrophobicContact CG-CG2 4.06Å
31	V	94.5	Very high	89.2	Confident	134 Å²	134	80.7 Å²	80.7	81%	0.812	45%	0.45	S	S	*	.			trans	-104.7	132.3	166	-177	0	0	0	0	106.9
32	T	94.9	Very high	91	Very high	57 Å²	57	77.6 Å²	77.6	35%	0.35	42%	0.424	S	S	.	.			trans	-144.3	156.8	-179.9	-167.3	0	0	0	0	110.3	K36 V38 T101	T32-K36 WeakPolarHBondContact OG1-CB 3.38Å; T32-V38 HydrophobicContact CG2-CG2 3.48Å; T32-V38 VanDerWaalsContact CG2-CG2 3.48Å; T32-T101 HydrophobicContact CG2-CG2 4.19Å
33	E	95.4	Very high	92.1	Very high	139 Å²	139	79.4 Å²	79.4	65%	0.65	42%	0.423	S	S	*	.			trans	-72.5	152.8	167.8	-63.8	174.1	171.5	0	0	110.8	K36 T101	E33-K36 HydrophobicContact CB-CG 4.01Å; E33-K36 WeakPolarHBondContact O-CB 3.47Å; E33-K36 PolarHBondContact O-N 2.78Å; E33-K36 WeakPolarHBondContact OE2-CE 3.35Å; E33-T101 PolarHBondContact O-OG1 3.49Å; E33-T101 VanDerWaalsContact O-OG1 3.11Å
34	K	96.6	Very high	93.1	Very high	166 Å²	166	78.7 Å²	78.7	72%	0.722	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	141.2	170.7	-173.1	-177.3	177.2	176.9	0	110.3	K36 T101	K34-K36 PolarHBondContact O-N 2.9Å; K34-T101 CarbonylContact C-O 3.6Å; K34-T101 WeakPolarHBondContact CA-O 3.25Å; K34-T101 WeakPolarHBondContact CG-O 3.14Å
35	G	97.2	Very high	93.5	Very high	42 Å²	42	78.9 Å²	78.9	43%	0.433	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-3.5	176.4	0	0	0	0	0	114.3	T101	G35-T101 PolarHBondContact N-O 3.28Å; G35-T101 PolarHBondContact N-OG1 3.38Å
36	K	97.9	Very high	93.7	Very high	108 Å²	108	82 Å²	82	47%	0.47	44%	0.442	S	S	.	.			trans	-83.7	158	170.9	-59.5	-61.2	-177.1	-177.4	0	110.4	T32 E33 K34 T101	T32-K36 WeakPolarHBondContact OG1-CB 3.38Å; E33-K36 HydrophobicContact CB-CG 4.01Å; E33-K36 WeakPolarHBondContact O-CB 3.47Å; E33-K36 PolarHBondContact O-N 2.78Å; E33-K36 WeakPolarHBondContact OE2-CE 3.35Å; K34-K36 PolarHBondContact O-N 2.9Å; K36-T101 VanDerWaalsContact O-CG2 3.31Å; K36-T101 WeakPolarHBondContact O-CG2 3.39Å; K36-T101 PolarHBondContact O-N 2.72Å; K36-T101 PolarHBondContact O-OG1 3.44Å
37	D	97.7	Very high	93.7	Very high	74 Å²	74	80.6 Å²	80.6	40%	0.396	45%	0.445	S	S	.	.			trans	-86.6	144.4	172.1	-71.5	7.4	0	0	0	110	K97 I98 Q99 R100	D37-K97 WeakPolarHBondContact OD2-CE 3.25Å; D37-K97 IonicContact OD2-NZ 3.69Å; D37-I98 CarbonylContact C-O 3.6Å; D37-I98 WeakPolarHBondContact CA-O 3.39Å; D37-Q99 VanDerWaalsContact OD1-CA 3.29Å; D37-Q99 WeakPolarHBondContact OD1-CA 3.42Å; D37-R100 PolarHBondContact OD1-N 2.78Å
38	V	97.1	Very high	93.8	Very high	11 Å²	11	80.4 Å²	80.4	7%	0.067	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.5	174	169.3	0	0	0	0	109.3	K30 T32 L40 K97 I98 T101	K30-V38 HydrophobicContact CG-CG1 3.92Å; K30-V38 HydrophobicContact CG-CG2 4.06Å; T32-V38 HydrophobicContact CG2-CG2 3.48Å; T32-V38 VanDerWaalsContact CG2-CG2 3.48Å; V38-L40 HydrophobicContact CG1-CD2 4.13Å; V38-L40 HydrophobicContact CG1-CG 4.31Å; V38-K97 CarbonylContact O-C 3.52Å; V38-K97 VanDerWaalsContact O-CA 3.3Å; V38-K97 WeakPolarHBondContact O-CA 3.29Å; V38-I98 PolarHBondContact N-O 3.19Å; V38-I98 PolarHBondContact O-N 3.15Å; V38-T101 HydrophobicContact CB-CG2 4.24Å; V38-T101 HydrophobicContact CG2-CG2 3.86Å
39	E	97.4	Very high	94	Very high	97 Å²	97	78.1 Å²	78.1	45%	0.453	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134	172.6	-68.5	-178.8	-174.7	0	0	109.7	T95 L96 K97	E39-T95 HydrophobicContact CB-CG2 4.22Å; E39-T95 HydrophobicContact CG-CG2 4.44Å; E39-L96 CarbonylContact C-O 3.55Å; E39-L96 WeakPolarHBondContact CA-O 3.34Å; E39-K97 HydrophobicContact CG-CB 4.05Å; E39-K97 HydrophobicContact CG-CD 4.07Å; E39-K97 HydrophobicContact CG-CG 3.82Å; E39-K97 WeakPolarHBondContact OE1-CD 3.34Å; E39-K97 WeakPolarHBondContact OE1-CE 3.33Å; E39-K97 IonicContact OE1-NZ 3.95Å; E39-K97 PolarHBondContact OE1-NZ 2.74Å
40	L	97.2	Very high	94.2	Very high	9 Å²	9	72.3 Å²	72.3	5%	0.047	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.1	175.7	-56.7	178.4	0	0	0	108.2	P27 V38 W53 T95 L96 Y109	P27-L40 HydrophobicContact CG-CD2 4.31Å; V38-L40 HydrophobicContact CG1-CD2 4.13Å; V38-L40 HydrophobicContact CG1-CG 4.31Å; L40-W53 HydrophobicContact CB-CH2 3.74Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.32Å; L40-T95 CarbonylContact O-C 3.23Å; L40-T95 VanDerWaalsContact O-CA 3.32Å; L40-T95 WeakPolarHBondContact O-CA 3.34Å; L40-L96 HydrophobicContact CB-CB 4.44Å; L40-L96 HydrophobicContact CD1-CD2 4.39Å; L40-L96 PolarHBondContact N-O 3.21Å; L40-L96 PolarHBondContact O-N 3.03Å; L40-Y109 VanDerWaalsContact CD1-CB 3.4Å; L40-Y109 HydrophobicContact CD1-CD1 4.29Å; L40-Y109 HydrophobicContact CD1-CD2 3.81Å; L40-Y109 HydrophobicContact CD1-CG 3.56Å
41	R	96	Very high	94.3	Very high	128 Å²	128	66.5 Å²	66.5	48%	0.483	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.3	-179	-64.7	177.1	63.6	82.8	-3.2	110.7	Q25 T26 S94	Q25-R41 WeakPolarHBondContact CA-O 3.2Å; T26-R41 PolarHBondContact N-O 2.83Å; T26-R41 PolarHBondContact O-N 2.97Å; R41-S94 CarbonylContact C-O 3.55Å; R41-S94 WeakPolarHBondContact CA-O 3.31Å
42	C	93.9	Very high	94.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114.2	179.9	-175.1	0	0	0	0	111.1	L51 W53 V93 S94 R111	C42-L51 HydrophobicContact CB-CD1 4.27Å; C42-W53 HydrophobicContact CB-CH2 3.99Å; C42-W53 HydrophobicContact CB-CZ2 3.52Å; C42-V93 CarbonylContact O-C 3.35Å; C42-V93 WeakPolarHBondContact O-CA 3.24Å; C42-V93 WeakPolarHBondContact O-CG1 3.4Å; C42-S94 PolarHBondContact N-O 2.88Å; C42-S94 PolarHBondContact O-N 3.3Å; C42-R111 VanDerWaalsContact CA-NH1 3.27Å; C42-R111 HydrophobicContact CB-CG 4.32Å; C42-R111 VanDerWaalsContact SG-CD 3.53Å; C42-R111 PolarHBondContact SG-NH1 3.28Å
43	D	91.5	Very high	94.6	Very high	81 Å²	81	60 Å²	60	43%	0.433	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.7	166	-163	0.7	0	0	0	109.2	V23 S24 V93	V23-D43 CarbonylContact C-O 3.58Å; V23-D43 VanDerWaalsContact CA-O 3.24Å; V23-D43 WeakPolarHBondContact CA-O 3.4Å; S24-D43 PolarHBondContact N-O 3.21Å; S24-D43 PolarHBondContact O-N 3.24Å; S24-D43 VanDerWaalsContact O-N 3.11Å; S24-D43 WeakPolarHBondContact OG-CB 3.39Å; D43-V93 HydrophobicContact CB-CG2 4.31Å
44	P	89.5	Confident	94.7	Very high	13 Å²	13	56.5 Å²	56.5	8%	0.084	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-77.3	170.6	-179.7	32	-34.5	0	0	0	112.8	G22 S46 L51 S92	G22-P44 CarbonylContact O-C 3.49Å; P44-S46 PolarHBondContact O-N 2.88Å; P44-L51 HydrophobicContact CB-CD1 4.1Å; P44-L51 HydrophobicContact CG-CD1 4.11Å; P44-S92 WeakPolarHBondContact CD-O 3.38Å; P44-S92 WeakPolarHBondContact CG-O 3.48Å
45	I	89.8	Confident	94.8	Very high	66 Å²	66	50.9 Å²	50.9	34%	0.338	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-62	138	171.1	-56.5	-179	0	0	0	108.9	G22 V23 G47 H48	G22-I45 VanDerWaalsContact C-CG1 3.49Å; G22-I45 WeakPolarHBondContact O-CA 3.46Å; G22-I45 WeakPolarHBondContact O-CG1 3.31Å; G22-I45 PolarHBondContact O-N 3.2Å; V23-I45 HydrophobicContact CG2-CD1 4.16Å; V23-I45 HydrophobicContact CG2-CG1 3.66Å; I45-G47 PolarHBondContact O-N 2.82Å; I45-H48 VanDerWaalsContact O-CB 3.26Å; I45-H48 WeakPolarHBondContact O-CB 3.47Å; I45-H48 PolarHBondContact O-N 3.19Å
46	S	87.9	Confident	94.8	Very high	118 Å²	118	52.1 Å²	52.1	83%	0.825	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	130.9	176.2	-57.7	0	0	0	0	111.5	P44 H48	P44-S46 PolarHBondContact O-N 2.88Å; S46-H48 VanDerWaalsContact C-N 3.32Å
47	G	89.2	Confident	94.7	Very high	58 Å²	58	48.2 Å²	48.2	60%	0.598	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-13.7	-177.4	0	0	0	0	0	114.8	I45 T49 L115	I45-G47 PolarHBondContact O-N 2.82Å; G47-T49 PolarHBondContact O-N 2.92Å; G47-L115 WeakPolarHBondContact O-CD2 3.3Å
48	H	92.8	Very high	94.6	Very high	37 Å²	37	53.1 Å²	53.1	17%	0.171	28%	0.283	C	S	.	.			trans	-71.3	112.4	176.8	-75.4	-159.7	0	0	0	111.3	I45 S46 A50 R88 S113 S114	I45-H48 VanDerWaalsContact O-CB 3.26Å; I45-H48 WeakPolarHBondContact O-CB 3.47Å; I45-H48 PolarHBondContact O-N 3.19Å; S46-H48 VanDerWaalsContact C-N 3.32Å; H48-A50 VanDerWaalsContact C-N 3.35Å; H48-R88 PolarHBondContact O-NH2 3.42Å; H48-S113 PolarHBondContact CE1-O 2.54Å; H48-S113 VanDerWaalsContact CE1-O 3.28Å; H48-S113 VanDerWaalsContact ND1-CB 3.35Å; H48-S113 WeakPolarHBondContact ND1-CB 3.13Å; H48-S113 PolarHBondContact ND1-O 2.84Å; H48-S113 PolarHBondContact ND1-OG 3.2Å; H48-S114 CarbonylContact C-O 3.27Å; H48-S114 VanDerWaalsContact C-O 3.27Å; H48-S114 WeakPolarHBondContact CA-O 3.3Å; H48-S114 WeakPolarHBondContact CB-O 3.49Å; H48-S114 VanDerWaalsContact CG-C 3.47Å; H48-S114 WeakPolarHBondContact ND1-CA 3.4Å; H48-S114 PolarHBondContact ND1-N 2.86Å
49	T	93.6	Very high	94.5	Very high	58 Å²	58	56.1 Å²	56.1	36%	0.356	32%	0.316	S	S	.	.			trans	-83.1	-18.9	180	72.8	0	0	0	0	112.3	G47 Q69 G70 R88 S114 L115	G47-T49 PolarHBondContact O-N 2.92Å; T49-Q69 PolarHBondContact OG1-NE2 2.97Å; T49-G70 PolarHBondContact O-N 2.93Å; T49-R88 PolarHBondContact O-NH1 3.49Å; T49-S114 PolarHBondContact N-O 3.47Å; T49-L115 WeakPolarHBondContact CB-OXT 3.47Å; T49-L115 PolarHBondContact N-OXT 3.02Å; T49-L115 PolarHBondContact OG1-OXT 2.85Å
50	A	95.3	Very high	94.4	Very high	1 Å²	1	57 Å²	57	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.2	-178.9	0	0	0	0	0	111.6	H48 Y52 Y67 F68 S113 S114	H48-A50 VanDerWaalsContact C-N 3.35Å; A50-Y52 HydrophobicContact CB-CE2 3.95Å; A50-Y67 HydrophobicContact CB-CE2 3.45Å; A50-Y67 VanDerWaalsContact CB-CE2 3.45Å; A50-Y67 VanDerWaalsContact CB-OH 3.29Å; A50-Y67 WeakPolarHBondContact CB-OH 3.17Å; A50-F68 WeakPolarHBondContact CA-O 3.37Å; A50-S113 WeakPolarHBondContact O-CA 3.36Å; A50-S113 VanDerWaalsContact O-CB 3.25Å; A50-S113 WeakPolarHBondContact O-CB 3.36Å; A50-S114 WeakPolarHBondContact CB-O 3.41Å; A50-S114 WeakPolarHBondContact CB-OG 3.47Å; A50-S114 PolarHBondContact N-O 3.46Å; A50-S114 PolarHBondContact O-N 2.8Å; A50-S114 VanDerWaalsContact O-N 3.09Å
51	L	96	Very high	94.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.9	175.4	-172.8	157	0	0	0	111.2	C42 P44 Y67 F68 A112	C42-L51 HydrophobicContact CB-CD1 4.27Å; P44-L51 HydrophobicContact CB-CD1 4.1Å; P44-L51 HydrophobicContact CG-CD1 4.11Å; L51-Y67 CarbonylContact O-C 3.59Å; L51-Y67 WeakPolarHBondContact O-CA 3.24Å; L51-Y67 WeakPolarHBondContact O-CD2 3.32Å; L51-F68 HydrophobicContact CD2-CD2 4.22Å; L51-F68 PolarHBondContact N-O 2.76Å; L51-F68 PolarHBondContact O-N 2.73Å; L51-A112 WeakPolarHBondContact CA-O 3.37Å
52	Y	96.9	Very high	94.4	Very high	55 Å²	55	56.3 Å²	56.3	22%	0.216	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.2	-175.2	-53.2	-98.9	0	0	0	110.9	A50 Y54 F64 I66 Y67 R111 A112	A50-Y52 HydrophobicContact CB-CE2 3.95Å; Y52-Y54 HydrophobicContact CG-CE2 4.2Å; Y52-F64 HydrophobicContact CD1-CE2 4.47Å; Y52-I66 WeakPolarHBondContact CA-O 3.4Å; Y52-Y67 AromaticContact CD1-CD2 3.43Å; Y52-Y67 HydrophobicContact CD1-CD2 3.43Å; Y52-Y67 VanDerWaalsContact CD1-CD2 3.43Å; Y52-Y67 HydrophobicContact CD1-CE2 4.29Å; Y52-Y67 AromaticContact CD1-CG 3.87Å; Y52-Y67 HydrophobicContact CD1-CG 3.87Å; Y52-Y67 HydrophobicContact CD2-CD2 4.16Å; Y52-Y67 HydrophobicContact CD2-CE2 4.47Å; Y52-Y67 HydrophobicContact CE1-CD1 4.34Å; Y52-Y67 AromaticContact CE1-CD2 3.12Å; Y52-Y67 HydrophobicContact CE1-CD2 3.12Å; Y52-Y67 AromaticContact CE1-CE2 3.65Å; Y52-Y67 HydrophobicContact CE1-CE2 3.65Å; Y52-Y67 AromaticContact CE1-CG 3.55Å; Y52-Y67 HydrophobicContact CE1-CG 3.55Å; Y52-Y67 AromaticContact CE2-CD2 3.91Å; Y52-Y67 HydrophobicContact CE2-CD2 3.91Å; Y52-Y67 AromaticContact CE2-CE2 3.85Å; Y52-Y67 HydrophobicContact CE2-CE2 3.85Å; Y52-Y67 AromaticContact CG-CD2 3.93Å; Y52-Y67 HydrophobicContact CG-CD2 3.93Å; Y52-Y67 AromaticContact CZ-CD2 3.38Å; Y52-Y67 AromaticContact CZ-CE2 3.38Å; Y52-Y67 WeakPolarHBondContact OH-CE2 3.5Å; Y52-R111 WeakPolarHBondContact O-CA 3.45Å; Y52-A112 HydrophobicContact CD2-CB 4.14Å; Y52-A112 PolarHBondContact N-O 2.8Å; Y52-A112 PolarHBondContact O-N 2.77Å
53	W	97.9	Very high	94.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.9	165.6	-74.5	98.2	0	0	0	110.3	L40 C42 L65 I66 S94 L96 R111	L40-W53 HydrophobicContact CB-CH2 3.74Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.32Å; C42-W53 HydrophobicContact CB-CH2 3.99Å; C42-W53 HydrophobicContact CB-CZ2 3.52Å; W53-L65 HydrophobicContact CB-CB 4.25Å; W53-L65 HydrophobicContact CB-CD1 4.38Å; W53-L65 WeakPolarHBondContact O-CB 3.35Å; W53-L65 PolarHBondContact O-N 3.01Å; W53-I66 HydrophobicContact CB-CG2 3.83Å; W53-I66 HydrophobicContact CG-CG2 4.21Å; W53-I66 PolarHBondContact N-O 2.87Å; W53-I66 PolarHBondContact O-N 2.88Å; W53-S94 PolarHBondContact NE1-OG 3.15Å; W53-L96 HydrophobicContact CD2-CB 3.83Å; W53-L96 HydrophobicContact CD2-CD2 3.93Å; W53-L96 HydrophobicContact CD2-CG 4.44Å; W53-L96 HydrophobicContact CE3-CB 4.03Å; W53-L96 HydrophobicContact CE3-CD2 3.6Å; W53-L96 HydrophobicContact CE3-CG 4.46Å; W53-L96 HydrophobicContact CG-CB 4.45Å; W53-L96 HydrophobicContact CG-CD2 4.39Å; W53-L96 HydrophobicContact CH2-CB 3.87Å; W53-L96 HydrophobicContact CZ2-CB 3.66Å; W53-L96 HydrophobicContact CZ3-CB 4.05Å; W53-L96 HydrophobicContact CZ3-CD2 4Å; W53-R111 HydrophobicContact CD2-CG 4.09Å; W53-R111 HydrophobicContact CE3-CG 3.52Å; W53-R111 HydrophobicContact CH2-CG 3.75Å; W53-R111 HydrophobicContact CZ2-CG 4.26Å; W53-R111 VanDerWaalsContact CZ3-CD 3.41Å; W53-R111 HydrophobicContact CZ3-CG 3.33Å
54	Y	97.9	Very high	94.9	Very high	65 Å²	65	58.7 Å²	58.7	26%	0.255	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.3	172.9	-58.2	-95.1	0	0	0	110	Y52 P62 E63 F64 Y109 L110 A112	Y52-Y54 HydrophobicContact CG-CE2 4.2Å; Y54-P62 HydrophobicContact CD1-CB 4.32Å; Y54-P62 HydrophobicContact CG-CB 4.49Å; Y54-E63 CarbonylContact C-O 3.5Å; Y54-E63 WeakPolarHBondContact CA-O 3.38Å; Y54-E63 WeakPolarHBondContact CB-O 3.29Å; Y54-F64 HydrophobicContact CD1-CB 4.25Å; Y54-F64 HydrophobicContact CE1-CB 4.13Å; Y54-F64 AromaticContact CE1-CD2 3.99Å; Y54-F64 HydrophobicContact CE1-CD2 3.99Å; Y54-Y109 CarbonylContact O-C 3.52Å; Y54-Y109 WeakPolarHBondContact O-CA 3.14Å; Y54-L110 PolarHBondContact N-O 3.32Å; Y54-L110 PolarHBondContact O-N 3.02Å; Y54-A112 HydrophobicContact CE2-CB 4.28Å
55	R	97.6	Very high	95.3	Very high	47 Å²	47	58.1 Å²	58.1	18%	0.177	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.6	169.2	-176.4	179.9	64.4	-175.4	-0.6	108.8	E63 L65 A107 A108 Y109	R55-E63 IonicContact CZ-OE2 3.44Å; R55-E63 PolarHBondContact N-O 3.08Å; R55-E63 IonicContact NE-OE2 2.76Å; R55-E63 PolarHBondContact NE-OE2 2.87Å; R55-E63 IonicContact NH2-OE2 3.62Å; R55-E63 PolarHBondContact NH2-OE2 2.9Å; R55-E63 WeakPolarHBondContact O-CB 3.49Å; R55-E63 PolarHBondContact O-N 2.85Å; R55-L65 HydrophobicContact CB-CD1 4.05Å; R55-L65 HydrophobicContact CB-CD2 4.07Å; R55-L65 HydrophobicContact CB-CG 4.13Å; R55-A107 HydrophobicContact CG-CB 3.44Å; R55-A107 VanDerWaalsContact CG-CB 3.44Å; R55-A108 CarbonylContact C-O 3.48Å; R55-Y109 HydrophobicContact CB-CD1 4.36Å; R55-Y109 HydrophobicContact CB-CE1 4.12Å; R55-Y109 HydrophobicContact CG-CD1 4.4Å; R55-Y109 HydrophobicContact CG-CE1 3.87Å
56	Q	97.6	Very high	95.7	Very high	69 Å²	69	55.1 Å²	55.1	32%	0.322	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	100.3	174.5	-174.2	175.9	33.1	0	0	109.5	Q60 A107 A108 L110	Q56-Q60 VanDerWaalsContact CG-O 3.3Å; Q56-Q60 WeakPolarHBondContact CG-O 3.46Å; Q56-Q60 PolarHBondContact NE2-O 2.92Å; Q56-A107 WeakPolarHBondContact O-CB 3.26Å; Q56-A108 HydrophobicContact CB-CB 4.32Å; Q56-A108 PolarHBondContact N-O 2.97Å; Q56-A108 PolarHBondContact O-N 3.09Å; Q56-L110 HydrophobicContact CB-CD1 4.05Å; Q56-L110 HydrophobicContact CB-CG 4.45Å
57	S	96.4	Very high	96.2	Very high	26 Å²	26	51.2 Å²	51.2	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	156.8	173.4	-59.9	0	0	0	0	110.8	G59 Q60	S57-G59 PolarHBondContact O-N 3.36Å; S57-Q60 PolarHBondContact O-N 3.06Å
58	L	94.4	Very high	96.5	Very high	176 Å²	176	48.7 Å²	48.7	92%	0.921	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	124.4	-178.5	-176.6	64.8	0	0	0	111.2	Q60	L58-Q60 PolarHBondContact O-N 3.19Å
59	G	95.2	Very high	96.7	Very high	75 Å²	75	51.5 Å²	51.5	77%	0.773	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	2.9	-179.5	0	0	0	0	0	115.2	S57	S57-G59 PolarHBondContact O-N 3.36Å
60	Q	95.4	Very high	96.7	Very high	115 Å²	115	49.9 Å²	49.9	54%	0.537	28%	0.277	S	S	.	.	S	Bend	trans	-105.5	162.2	177.4	-58.6	-61	-39	0	0	111.5	Q56 S57 L58	Q56-Q60 VanDerWaalsContact CG-O 3.3Å; Q56-Q60 WeakPolarHBondContact CG-O 3.46Å; Q56-Q60 PolarHBondContact NE2-O 2.92Å; S57-Q60 PolarHBondContact O-N 3.06Å; L58-Q60 PolarHBondContact O-N 3.19Å
61	G	96	Very high	96.5	Very high	43 Å²	43	54.3 Å²	54.3	44%	0.443	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-73.6	171.3	168.5	0	0	0	0	0	112.2	E63	G61-E63 PolarHBondContact O-N 2.85Å
62	P	97.5	Very high	96.3	Very high	79 Å²	79	56 Å²	56	51%	0.513	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-63	122.6	170.7	-21.2	33.8	0	0	0	111.5	Y54 L110	Y54-P62 HydrophobicContact CD1-CB 4.32Å; Y54-P62 HydrophobicContact CG-CB 4.49Å; P62-L110 HydrophobicContact CB-CD1 4.24Å; P62-L110 HydrophobicContact CG-CD1 4.08Å
63	E	97.8	Very high	96.2	Very high	70 Å²	70	56 Å²	56	33%	0.327	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.9	172.2	-62.8	172.6	179.5	0	0	109.1	Y54 R55 G61	Y54-E63 CarbonylContact C-O 3.5Å; Y54-E63 WeakPolarHBondContact CA-O 3.38Å; Y54-E63 WeakPolarHBondContact CB-O 3.29Å; R55-E63 IonicContact CZ-OE2 3.44Å; R55-E63 PolarHBondContact N-O 3.08Å; R55-E63 IonicContact NE-OE2 2.76Å; R55-E63 PolarHBondContact NE-OE2 2.87Å; R55-E63 IonicContact NH2-OE2 3.62Å; R55-E63 PolarHBondContact NH2-OE2 2.9Å; R55-E63 WeakPolarHBondContact O-CB 3.49Å; R55-E63 PolarHBondContact O-N 2.85Å; G61-E63 PolarHBondContact O-N 2.85Å
64	F	98.2	Very high	96.2	Very high	61 Å²	61	59 Å²	59	27%	0.268	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	136.2	175	174.2	-107	0	0	0	111.1	Y52 Y54 I66 D75 G78	Y52-F64 HydrophobicContact CD1-CE2 4.47Å; Y54-F64 HydrophobicContact CD1-CB 4.25Å; Y54-F64 HydrophobicContact CE1-CB 4.13Å; Y54-F64 AromaticContact CE1-CD2 3.99Å; Y54-F64 HydrophobicContact CE1-CD2 3.99Å; F64-I66 VanDerWaalsContact CE2-C 3.43Å; F64-D75 HydrophobicContact CE1-CB 4.35Å; F64-D75 HydrophobicContact CZ-CB 4.05Å; F64-G78 WeakPolarHBondContact O-CA 3.45Å
65	L	98.4	Very high	96.2	Very high	1 Å²	1	59 Å²	59	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-61.2	171.6	-62.7	-179.6	0	0	0	111.5	W53 R55 G78 L79 L96 Y109	W53-L65 HydrophobicContact CB-CB 4.25Å; W53-L65 HydrophobicContact CB-CD1 4.38Å; W53-L65 WeakPolarHBondContact O-CB 3.35Å; W53-L65 PolarHBondContact O-N 3.01Å; R55-L65 HydrophobicContact CB-CD1 4.05Å; R55-L65 HydrophobicContact CB-CD2 4.07Å; R55-L65 HydrophobicContact CB-CG 4.13Å; L65-G78 CarbonylContact O-C 3.58Å; L65-G78 VanDerWaalsContact O-C 3.23Å; L65-G78 WeakPolarHBondContact O-CA 3.23Å; L65-G78 PolarHBondContact O-N 3.11Å; L65-L79 HydrophobicContact CB-CD1 3.99Å; L65-L79 PolarHBondContact O-N 2.64Å; L65-L96 HydrophobicContact CD1-CD2 4.08Å; L65-Y109 HydrophobicContact CD1-CD1 4.21Å; L65-Y109 HydrophobicContact CD1-CE1 4.26Å
66	I	98.5	Very high	96.2	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	148.8	-172.3	-177.7	166.6	0	0	0	111.2	Y52 W53 F64 F68 A73 D75 D76 L79 A86	Y52-I66 WeakPolarHBondContact CA-O 3.4Å; W53-I66 HydrophobicContact CB-CG2 3.83Å; W53-I66 HydrophobicContact CG-CG2 4.21Å; W53-I66 PolarHBondContact N-O 2.87Å; W53-I66 PolarHBondContact O-N 2.88Å; F64-I66 VanDerWaalsContact CE2-C 3.43Å; I66-F68 HydrophobicContact CD1-CE1 4.12Å; I66-F68 HydrophobicContact CD1-CE2 3.81Å; I66-F68 HydrophobicContact CD1-CZ 3.49Å; I66-F68 VanDerWaalsContact CD1-CZ 3.49Å; I66-F68 HydrophobicContact CG1-CD2 4.41Å; I66-F68 HydrophobicContact CG1-CE2 3.92Å; I66-F68 HydrophobicContact CG1-CZ 4.09Å; I66-F68 HydrophobicContact CG2-CE2 4.06Å; I66-A73 HydrophobicContact CD1-CB 3.81Å; I66-A73 HydrophobicContact CG1-CB 4.34Å; I66-D75 CarbonylContact C-O 3.5Å; I66-D75 VanDerWaalsContact CA-O 3.27Å; I66-D75 WeakPolarHBondContact CA-O 3.38Å; I66-D75 WeakPolarHBondContact CG1-O 3.49Å; I66-D76 HydrophobicContact CB-CB 4.44Å; I66-D76 HydrophobicContact CD1-CB 3.7Å; I66-D76 HydrophobicContact CG1-CB 3.9Å; I66-L79 HydrophobicContact CD1-CD2 4.19Å; I66-L79 HydrophobicContact CG2-CD1 4.19Å; I66-A86 HydrophobicContact CD1-CB 4.09Å; I66-A86 HydrophobicContact CG2-CB 3.89Å
67	Y	97	Very high	96.2	Very high	36 Å²	36	60.7 Å²	60.7	14%	0.141	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.6	175.1	168.7	-124.1	0	0	0	111.2	A50 L51 Y52 Q69 A73 A74 D75	A50-Y67 HydrophobicContact CB-CE2 3.45Å; A50-Y67 VanDerWaalsContact CB-CE2 3.45Å; A50-Y67 VanDerWaalsContact CB-OH 3.29Å; A50-Y67 WeakPolarHBondContact CB-OH 3.17Å; L51-Y67 CarbonylContact O-C 3.59Å; L51-Y67 WeakPolarHBondContact O-CA 3.24Å; L51-Y67 WeakPolarHBondContact O-CD2 3.32Å; Y52-Y67 AromaticContact CD1-CD2 3.43Å; Y52-Y67 HydrophobicContact CD1-CD2 3.43Å; Y52-Y67 VanDerWaalsContact CD1-CD2 3.43Å; Y52-Y67 HydrophobicContact CD1-CE2 4.29Å; Y52-Y67 AromaticContact CD1-CG 3.87Å; Y52-Y67 HydrophobicContact CD1-CG 3.87Å; Y52-Y67 HydrophobicContact CD2-CD2 4.16Å; Y52-Y67 HydrophobicContact CD2-CE2 4.47Å; Y52-Y67 HydrophobicContact CE1-CD1 4.34Å; Y52-Y67 AromaticContact CE1-CD2 3.12Å; Y52-Y67 HydrophobicContact CE1-CD2 3.12Å; Y52-Y67 AromaticContact CE1-CE2 3.65Å; Y52-Y67 HydrophobicContact CE1-CE2 3.65Å; Y52-Y67 AromaticContact CE1-CG 3.55Å; Y52-Y67 HydrophobicContact CE1-CG 3.55Å; Y52-Y67 AromaticContact CE2-CD2 3.91Å; Y52-Y67 HydrophobicContact CE2-CD2 3.91Å; Y52-Y67 AromaticContact CE2-CE2 3.85Å; Y52-Y67 HydrophobicContact CE2-CE2 3.85Å; Y52-Y67 AromaticContact CG-CD2 3.93Å; Y52-Y67 HydrophobicContact CG-CD2 3.93Å; Y52-Y67 AromaticContact CZ-CD2 3.38Å; Y52-Y67 AromaticContact CZ-CE2 3.38Å; Y52-Y67 WeakPolarHBondContact OH-CE2 3.5Å; Y67-Q69 HydrophobicContact CE1-CB 4.23Å; Y67-Q69 PolarHBondContact OH-OE1 2.92Å; Y67-A73 CarbonylContact O-C 3.6Å; Y67-A74 HydrophobicContact CD1-CB 3.6Å; Y67-A74 HydrophobicContact CE1-CB 3.67Å; Y67-A74 PolarHBondContact O-N 2.77Å; Y67-D75 PolarHBondContact N-O 2.85Å; Y67-D75 PolarHBondContact O-N 2.92Å
68	F	97.2	Very high	96.2	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.018	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.1	173.8	-64.9	-88.6	0	0	0	111.7	A50 L51 I66 G72 A73 A86 R88	A50-F68 WeakPolarHBondContact CA-O 3.37Å; L51-F68 HydrophobicContact CD2-CD2 4.22Å; L51-F68 PolarHBondContact N-O 2.76Å; L51-F68 PolarHBondContact O-N 2.73Å; I66-F68 HydrophobicContact CD1-CE1 4.12Å; I66-F68 HydrophobicContact CD1-CE2 3.81Å; I66-F68 HydrophobicContact CD1-CZ 3.49Å; I66-F68 VanDerWaalsContact CD1-CZ 3.49Å; I66-F68 HydrophobicContact CG1-CD2 4.41Å; I66-F68 HydrophobicContact CG1-CE2 3.92Å; I66-F68 HydrophobicContact CG1-CZ 4.09Å; I66-F68 HydrophobicContact CG2-CE2 4.06Å; F68-G72 CarbonylContact C-O 3.58Å; F68-G72 VanDerWaalsContact CA-O 3.25Å; F68-G72 WeakPolarHBondContact CA-O 3.22Å; F68-A73 HydrophobicContact CD1-CB 4.27Å; F68-A73 HydrophobicContact CE1-CB 4.02Å; F68-A86 HydrophobicContact CE2-CB 3.96Å; F68-A86 HydrophobicContact CZ-CB 3.76Å; F68-R88 HydrophobicContact CB-CB 4.32Å; F68-R88 HydrophobicContact CD1-CB 3.7Å; F68-R88 HydrophobicContact CD2-CB 4.29Å; F68-R88 HydrophobicContact CE1-CB 4.06Å; F68-R88 HydrophobicContact CG-CB 3.84Å; F68-R88 HydrophobicContact CZ-CB 4.48Å; F68-R88 PolarHBondContact O-NH1 2.85Å
69	Q	95.6	Very high	96.4	Very high	96 Å²	96	53.2 Å²	53.2	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107.9	165.3	-178.1	67.8	72.1	0	0	108.3	T49 Y67 T71 G72 A74	T49-Q69 PolarHBondContact OG1-NE2 2.97Å; Y67-Q69 HydrophobicContact CE1-CB 4.23Å; Y67-Q69 PolarHBondContact OH-OE1 2.92Å; Q69-T71 PolarHBondContact O-N 2.87Å; Q69-G72 PolarHBondContact N-O 2.77Å; Q69-G72 PolarHBondContact O-N 3.27Å; Q69-A74 HydrophobicContact CB-CB 3.96Å
70	G	93.4	Very high	96.4	Very high	24 Å²	24	51.4 Å²	51.4	25%	0.247	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-123.2	-169.3	0	0	0	0	0	111.1	T49 R88	T49-G70 PolarHBondContact O-N 2.93Å; G70-R88 WeakPolarHBondContact O-CD 3.37Å; G70-R88 PolarHBondContact O-NH1 2.87Å
71	T	91.9	Very high	96.4	Very high	94 Å²	94	51.9 Å²	51.9	58%	0.577	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-22.3	-179	54.1	0	0	0	0	114.1	Q69 R88 G91	Q69-T71 PolarHBondContact O-N 2.87Å; T71-R88 WeakPolarHBondContact CA-O 3.41Å; T71-G91 VanDerWaalsContact CG2-N 3.29Å
72	G	91.2	Very high	96.4	Very high	35 Å²	35	55 Å²	55	36%	0.361	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.7	-170.5	0	0	0	0	0	112.6	F68 Q69 A74	F68-G72 CarbonylContact C-O 3.58Å; F68-G72 VanDerWaalsContact CA-O 3.25Å; F68-G72 WeakPolarHBondContact CA-O 3.22Å; Q69-G72 PolarHBondContact N-O 2.77Å; Q69-G72 PolarHBondContact O-N 3.27Å; G72-A74 PolarHBondContact O-N 2.85Å
73	A	95.8	Very high	96.4	Very high	55 Å²	55	52.5 Å²	52.5	46%	0.455	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	108.2	165.2	0	0	0	0	0	108.4	I66 Y67 F68	I66-A73 HydrophobicContact CD1-CB 3.81Å; I66-A73 HydrophobicContact CG1-CB 4.34Å; Y67-A73 CarbonylContact O-C 3.6Å; F68-A73 HydrophobicContact CD1-CB 4.27Å; F68-A73 HydrophobicContact CE1-CB 4.02Å
74	A	96.8	Very high	96.4	Very high	63 Å²	63	49.3 Å²	49.3	52%	0.521	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-30.4	178.2	0	0	0	0	0	111.4	Y67 Q69 G72	Y67-A74 HydrophobicContact CD1-CB 3.6Å; Y67-A74 HydrophobicContact CE1-CB 3.67Å; Y67-A74 PolarHBondContact O-N 2.77Å; Q69-A74 HydrophobicContact CB-CB 3.96Å; G72-A74 PolarHBondContact O-N 2.85Å
75	D	98.2	Very high	96.4	Very high	67 Å²	67	50.7 Å²	50.7	36%	0.358	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	120.4	172.4	-177.3	-4.7	0	0	0	109.5	F64 I66 Y67 S77	F64-D75 HydrophobicContact CE1-CB 4.35Å; F64-D75 HydrophobicContact CZ-CB 4.05Å; I66-D75 CarbonylContact C-O 3.5Å; I66-D75 VanDerWaalsContact CA-O 3.27Å; I66-D75 WeakPolarHBondContact CA-O 3.38Å; I66-D75 WeakPolarHBondContact CG1-O 3.49Å; Y67-D75 PolarHBondContact N-O 2.85Å; Y67-D75 PolarHBondContact O-N 2.92Å; D75-S77 WeakPolarHBondContact OD1-CB 3.3Å; D75-S77 PolarHBondContact OD1-N 3.05Å; D75-S77 PolarHBondContact OD1-OG 3.18Å; D75-S77 PolarHBondContact OD2-OG 2.98Å
76	D	97.7	Very high	96.3	Very high	56 Å²	56	51.5 Å²	51.5	30%	0.299	31%	0.31	S	S	.	.			trans	-121.3	21	175.3	73.4	-9.4	0	0	0	112.5	I66 G78 L79 K81	I66-D76 HydrophobicContact CB-CB 4.44Å; I66-D76 HydrophobicContact CD1-CB 3.7Å; I66-D76 HydrophobicContact CG1-CB 3.9Å; D76-G78 PolarHBondContact O-N 2.99Å; D76-L79 HydrophobicContact CB-CB 4.44Å; D76-L79 WeakPolarHBondContact O-CB 3.46Å; D76-L79 PolarHBondContact O-N 2.75Å; D76-L79 VanDerWaalsContact O-N 3.07Å; D76-K81 WeakPolarHBondContact OD1-CE 3.45Å; D76-K81 IonicContact OD1-NZ 2.85Å; D76-K81 PolarHBondContact OD1-NZ 3.27Å; D76-K81 VanDerWaalsContact OD2-CE 3.23Å; D76-K81 WeakPolarHBondContact OD2-CE 3.46Å; D76-K81 IonicContact OD2-NZ 3.58Å; D76-K81 PolarHBondContact OD2-NZ 3.16Å
77	S	97.6	Very high	96.3	Very high	94 Å²	94	55.4 Å²	55.4	66%	0.657	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.4	-174.2	59.1	0	0	0	0	113.9	D75	D75-S77 WeakPolarHBondContact OD1-CB 3.3Å; D75-S77 PolarHBondContact OD1-N 3.05Å; D75-S77 PolarHBondContact OD1-OG 3.18Å; D75-S77 PolarHBondContact OD2-OG 2.98Å
78	G	97.4	Very high	96.2	Very high	29 Å²	29	53.9 Å²	53.9	30%	0.299	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.7	176.2	0	0	0	0	0	114.6	F64 L65 D76 P80	F64-G78 WeakPolarHBondContact O-CA 3.45Å; L65-G78 CarbonylContact O-C 3.58Å; L65-G78 VanDerWaalsContact O-C 3.23Å; L65-G78 WeakPolarHBondContact O-CA 3.23Å; L65-G78 PolarHBondContact O-N 3.11Å; D76-G78 PolarHBondContact O-N 2.99Å; G78-P80 WeakPolarHBondContact O-CD 3.35Å
79	L	97.4	Very high	95.9	Very high	16 Å²	16	57.2 Å²	57.2	8%	0.084	35%	0.35	C	S	.	.	S	Bend	trans	-86	122.5	-172.4	-163.8	72.7	0	0	0	110.7	L65 I66 D76 K81 F84 A86 L96	L65-L79 HydrophobicContact CB-CD1 3.99Å; L65-L79 PolarHBondContact O-N 2.64Å; I66-L79 HydrophobicContact CD1-CD2 4.19Å; I66-L79 HydrophobicContact CG2-CD1 4.19Å; D76-L79 HydrophobicContact CB-CB 4.44Å; D76-L79 WeakPolarHBondContact O-CB 3.46Å; D76-L79 PolarHBondContact O-N 2.75Å; D76-L79 VanDerWaalsContact O-N 3.07Å; L79-K81 VanDerWaalsContact O-CG 3.29Å; L79-K81 WeakPolarHBondContact O-CG 3.35Å; L79-K81 PolarHBondContact O-N 3.08Å; L79-F84 HydrophobicContact CD1-CB 3.72Å; L79-F84 HydrophobicContact CG-CB 3.85Å; L79-A86 HydrophobicContact CD2-CB 4.49Å; L79-L96 HydrophobicContact CD1-CD1 4.1Å
80	P	96.1	Very high	95.6	Very high	37 Å²	37	61.3 Å²	61.3	24%	0.24	37%	0.369	C	S	.	.			trans	-69.1	91.2	175.1	-17.7	31.6	0	0	0	111.7	G78 D82 R83 F84	G78-P80 WeakPolarHBondContact O-CD 3.35Å; P80-D82 VanDerWaalsContact C-OD1 3.31Å; P80-D82 PolarHBondContact O-N 2.68Å; P80-R83 PolarHBondContact O-N 2.8Å; P80-F84 HydrophobicContact CB-CD2 3.81Å; P80-F84 HydrophobicContact CB-CE2 4.38Å; P80-F84 HydrophobicContact CB-CG 4.37Å; P80-F84 HydrophobicContact CG-CD2 3.95Å; P80-F84 HydrophobicContact CG-CE2 4.28Å; P80-F84 HydrophobicContact CG-CG 4.25Å; P80-F84 WeakPolarHBondContact O-CB 3.42Å; P80-F84 PolarHBondContact O-N 2.97Å
81	K	94.6	Very high	95	Very high	125 Å²	125	61.1 Å²	61.1	54%	0.543	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.2	-167.1	-57	-168.5	179.8	-165.3	0	115.2	D76 L79	D76-K81 WeakPolarHBondContact OD1-CE 3.45Å; D76-K81 IonicContact OD1-NZ 2.85Å; D76-K81 PolarHBondContact OD1-NZ 3.27Å; D76-K81 VanDerWaalsContact OD2-CE 3.23Å; D76-K81 WeakPolarHBondContact OD2-CE 3.46Å; D76-K81 IonicContact OD2-NZ 3.58Å; D76-K81 PolarHBondContact OD2-NZ 3.16Å; L79-K81 VanDerWaalsContact O-CG 3.29Å; L79-K81 WeakPolarHBondContact O-CG 3.35Å; L79-K81 PolarHBondContact O-N 3.08Å
82	D	95.8	Very high	94.8	Very high	108 Å²	108	59.2 Å²	59.2	58%	0.578	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-32	176.6	62.4	-53.5	0	0	0	112.8	P80	P80-D82 VanDerWaalsContact C-OD1 3.31Å; P80-D82 PolarHBondContact O-N 2.68Å
83	R	97.4	Very high	94.9	Very high	28 Å²	28	59 Å²	59	11%	0.106	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-21.5	-173.5	-68.3	-177.1	-50.5	105.1	-6.3	114.4	P80 F85 Q99 E102 D105	P80-R83 PolarHBondContact O-N 2.8Å; R83-F85 WeakPolarHBondContact O-CD2 3.47Å; R83-F85 WeakPolarHBondContact O-CE2 3.43Å; R83-Q99 PolarHBondContact NH1-O 2.84Å; R83-Q99 PolarHBondContact O-N 2.84Å; R83-E102 IonicContact NH2-OE2 3.46Å; R83-D105 IonicContact CZ-OD1 2.72Å; R83-D105 IonicContact CZ-OD2 3.54Å; R83-D105 IonicContact NH1-OD1 2.77Å; R83-D105 PolarHBondContact NH1-OD1 2.76Å; R83-D105 IonicContact NH1-OD2 2.76Å; R83-D105 PolarHBondContact NH1-OD2 2.82Å; R83-D105 IonicContact NH2-OD1 2.8Å; R83-D105 PolarHBondContact NH2-OD1 3Å; R83-D105 IonicContact NH2-OD2 3.27Å
84	F	98.4	Very high	94.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.6	-177.6	-71.3	-116.1	0	0	0	109.9	L79 P80 L96 K97 I98 D105 Y109	L79-F84 HydrophobicContact CD1-CB 3.72Å; L79-F84 HydrophobicContact CG-CB 3.85Å; P80-F84 HydrophobicContact CB-CD2 3.81Å; P80-F84 HydrophobicContact CB-CE2 4.38Å; P80-F84 HydrophobicContact CB-CG 4.37Å; P80-F84 HydrophobicContact CG-CD2 3.95Å; P80-F84 HydrophobicContact CG-CE2 4.28Å; P80-F84 HydrophobicContact CG-CG 4.25Å; P80-F84 WeakPolarHBondContact O-CB 3.42Å; P80-F84 PolarHBondContact O-N 2.97Å; F84-L96 HydrophobicContact CD1-CD1 4.38Å; F84-K97 WeakPolarHBondContact CA-O 3.27Å; F84-I98 HydrophobicContact CD1-CD1 4.3Å; F84-I98 HydrophobicContact CD1-CG1 3.81Å; F84-I98 HydrophobicContact CD1-CG2 4.48Å; F84-I98 HydrophobicContact CD2-CG2 4.27Å; F84-I98 HydrophobicContact CE1-CB 4.35Å; F84-I98 HydrophobicContact CE1-CD1 3.56Å; F84-I98 HydrophobicContact CE1-CG1 3.54Å; F84-I98 HydrophobicContact CE1-CG2 4.01Å; F84-I98 HydrophobicContact CE2-CG2 3.77Å; F84-I98 HydrophobicContact CZ-CB 4.44Å; F84-I98 HydrophobicContact CZ-CD1 4.01Å; F84-I98 HydrophobicContact CZ-CG1 4.07Å; F84-I98 HydrophobicContact CZ-CG2 3.62Å; F84-D105 HydrophobicContact CZ-CB 4.42Å; F84-D105 WeakPolarHBondContact CZ-OD1 3.32Å; F84-Y109 AromaticContact CE1-CE1 3.87Å; F84-Y109 HydrophobicContact CE1-CE1 3.87Å
85	F	97.9	Very high	94.9	Very high	91 Å²	91	54.3 Å²	54.3	40%	0.399	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.8	177.3	-56.5	-87.8	0	0	0	108.2	R83 K97 Q99	R83-F85 WeakPolarHBondContact O-CD2 3.47Å; R83-F85 WeakPolarHBondContact O-CE2 3.43Å; F85-K97 HydrophobicContact CB-CB 4.4Å; F85-K97 PolarHBondContact N-O 3.48Å; F85-K97 PolarHBondContact O-N 3.07Å; F85-Q99 HydrophobicContact CD2-CG 4.04Å; F85-Q99 HydrophobicContact CE2-CB 4.43Å; F85-Q99 HydrophobicContact CE2-CG 3.85Å; F85-Q99 VanDerWaalsContact CE2-OE1 3.26Å
86	A	97.7	Very high	94.9	Very high	17 Å²	17	51.1 Å²	51.1	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.7	172.4	0	0	0	0	0	109.9	I66 F68 L79 T95 L96	I66-A86 HydrophobicContact CD1-CB 4.09Å; I66-A86 HydrophobicContact CG2-CB 3.89Å; F68-A86 HydrophobicContact CE2-CB 3.96Å; F68-A86 HydrophobicContact CZ-CB 3.76Å; L79-A86 HydrophobicContact CD2-CB 4.49Å; A86-T95 VanDerWaalsContact CA-O 3.24Å; A86-T95 WeakPolarHBondContact CA-O 3.15Å; A86-L96 HydrophobicContact CB-CD1 3.98Å
87	V	96.7	Very high	94.9	Very high	86 Å²	86	51.2 Å²	51.2	52%	0.521	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.1	178.3	-63.7	0	0	0	0	109.8	S94 T95	V87-S94 CarbonylContact O-C 3.57Å; V87-S94 WeakPolarHBondContact O-CA 3.33Å; V87-S94 WeakPolarHBondContact O-CB 3.13Å; V87-S94 PolarHBondContact O-OG 2.86Å; V87-T95 PolarHBondContact N-O 3.17Å; V87-T95 PolarHBondContact O-N 3.24Å
88	R	95.3	Very high	94.9	Very high	5 Å²	5	47 Å²	47	2%	0.019	26%	0.259	C	S	.	.			trans	-138.3	73.9	171.9	-170.5	177.2	175.8	-159.3	-2.6	109.5	H48 T49 F68 G70 T71 E90 G91 S92	H48-R88 PolarHBondContact O-NH2 3.42Å; T49-R88 PolarHBondContact O-NH1 3.49Å; F68-R88 HydrophobicContact CB-CB 4.32Å; F68-R88 HydrophobicContact CD1-CB 3.7Å; F68-R88 HydrophobicContact CD2-CB 4.29Å; F68-R88 HydrophobicContact CE1-CB 4.06Å; F68-R88 HydrophobicContact CG-CB 3.84Å; F68-R88 HydrophobicContact CZ-CB 4.48Å; F68-R88 PolarHBondContact O-NH1 2.85Å; G70-R88 WeakPolarHBondContact O-CD 3.37Å; G70-R88 PolarHBondContact O-NH1 2.87Å; T71-R88 WeakPolarHBondContact CA-O 3.41Å; R88-E90 PolarHBondContact O-N 2.92Å; R88-G91 VanDerWaalsContact CZ-O 3.24Å; R88-G91 PolarHBondContact NE-O 3.3Å; R88-G91 VanDerWaalsContact NE-O 3.15Å; R88-G91 PolarHBondContact NH2-O 3Å; R88-G91 PolarHBondContact O-N 2.97Å; R88-S92 PolarHBondContact NE-O 3.07Å
89	P	91.7	Very high	95	Very high	74 Å²	74	48 Å²	48	48%	0.481	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58.1	141.3	178.7	26.2	-34.7	0	0	0	110.4	G91 S92 V93	P89-G91 PolarHBondContact O-N 3.47Å; P89-S92 PolarHBondContact O-N 3.32Å; P89-S92 PolarHBondContact O-OG 3.23Å; P89-V93 WeakPolarHBondContact CD-O 3.49Å
90	E	88.4	Confident	95	Very high	181 Å²	181	54.5 Å²	54.5	85%	0.846	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	56.7	11.9	175.7	-57.3	171.6	-169.5	0	0	115.4	R88 S92	R88-E90 PolarHBondContact O-N 2.92Å; E90-S92 PolarHBondContact O-N 3.31Å
91	G	82.3	Confident	95	Very high	21 Å²	21	53.2 Å²	53.2	22%	0.216	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	71.1	13.3	-179.2	0	0	0	0	0	113.8	T71 R88 P89	T71-G91 VanDerWaalsContact CG2-N 3.29Å; R88-G91 VanDerWaalsContact CZ-O 3.24Å; R88-G91 PolarHBondContact NE-O 3.3Å; R88-G91 VanDerWaalsContact NE-O 3.15Å; R88-G91 PolarHBondContact NH2-O 3Å; R88-G91 PolarHBondContact O-N 2.97Å; P89-G91 PolarHBondContact O-N 3.47Å
92	S	86.2	Confident	95.1	Very high	53 Å²	53	51.9 Å²	51.9	37%	0.371	27%	0.267	S	S	.	.	S	Bend	trans	-98	-110.8	-179.1	62.3	0	0	0	0	110.5	P44 R88 P89 E90	P44-S92 WeakPolarHBondContact CD-O 3.38Å; P44-S92 WeakPolarHBondContact CG-O 3.48Å; R88-S92 PolarHBondContact NE-O 3.07Å; P89-S92 PolarHBondContact O-N 3.32Å; P89-S92 PolarHBondContact O-OG 3.23Å; E90-S92 PolarHBondContact O-N 3.31Å
93	V	93.1	Very high	95.1	Very high	32 Å²	32	54.9 Å²	54.9	19%	0.194	28%	0.277	C	S	.	.			trans	-70.6	132.2	-178.4	175.9	0	0	0	0	110	C42 D43 P89	C42-V93 CarbonylContact O-C 3.35Å; C42-V93 WeakPolarHBondContact O-CA 3.24Å; C42-V93 WeakPolarHBondContact O-CG1 3.4Å; D43-V93 HydrophobicContact CB-CG2 4.31Å; P89-V93 WeakPolarHBondContact CD-O 3.49Å
94	S	95.7	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	143.1	168.6	-177.3	0	0	0	0	111.2	R41 C42 W53 V87	R41-S94 CarbonylContact C-O 3.55Å; R41-S94 WeakPolarHBondContact CA-O 3.31Å; C42-S94 PolarHBondContact N-O 2.88Å; C42-S94 PolarHBondContact O-N 3.3Å; W53-S94 PolarHBondContact NE1-OG 3.15Å; V87-S94 CarbonylContact O-C 3.57Å; V87-S94 WeakPolarHBondContact O-CA 3.33Å; V87-S94 WeakPolarHBondContact O-CB 3.13Å; V87-S94 PolarHBondContact O-OG 2.86Å
95	T	97	Very high	94.9	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.117	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	170.5	-57.5	0	0	0	0	108.9	E39 L40 A86 V87	E39-T95 HydrophobicContact CB-CG2 4.22Å; E39-T95 HydrophobicContact CG-CG2 4.44Å; L40-T95 CarbonylContact O-C 3.23Å; L40-T95 VanDerWaalsContact O-CA 3.32Å; L40-T95 WeakPolarHBondContact O-CA 3.34Å; A86-T95 VanDerWaalsContact CA-O 3.24Å; A86-T95 WeakPolarHBondContact CA-O 3.15Å; V87-T95 PolarHBondContact N-O 3.17Å; V87-T95 PolarHBondContact O-N 3.24Å
96	L	97.9	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.1	167.6	175.4	65.8	0	0	0	108.4	E39 L40 W53 L65 L79 F84 A86 Y109	E39-L96 CarbonylContact C-O 3.55Å; E39-L96 WeakPolarHBondContact CA-O 3.34Å; L40-L96 HydrophobicContact CB-CB 4.44Å; L40-L96 HydrophobicContact CD1-CD2 4.39Å; L40-L96 PolarHBondContact N-O 3.21Å; L40-L96 PolarHBondContact O-N 3.03Å; W53-L96 HydrophobicContact CD2-CB 3.83Å; W53-L96 HydrophobicContact CD2-CD2 3.93Å; W53-L96 HydrophobicContact CD2-CG 4.44Å; W53-L96 HydrophobicContact CE3-CB 4.03Å; W53-L96 HydrophobicContact CE3-CD2 3.6Å; W53-L96 HydrophobicContact CE3-CG 4.46Å; W53-L96 HydrophobicContact CG-CB 4.45Å; W53-L96 HydrophobicContact CG-CD2 4.39Å; W53-L96 HydrophobicContact CH2-CB 3.87Å; W53-L96 HydrophobicContact CZ2-CB 3.66Å; W53-L96 HydrophobicContact CZ3-CB 4.05Å; W53-L96 HydrophobicContact CZ3-CD2 4Å; L65-L96 HydrophobicContact CD1-CD2 4.08Å; L79-L96 HydrophobicContact CD1-CD1 4.1Å; F84-L96 HydrophobicContact CD1-CD1 4.38Å; A86-L96 HydrophobicContact CB-CD1 3.98Å; L96-Y109 HydrophobicContact CD2-CD1 3.6Å; L96-Y109 HydrophobicContact CD2-CE1 4.17Å; L96-Y109 HydrophobicContact CD2-CG 4.37Å
97	K	98	Very high	94.8	Very high	58 Å²	58	57.4 Å²	57.4	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.1	178.2	-176.4	171.1	-169.4	146.6	0	110.1	D37 V38 E39 F84 F85 Q99	D37-K97 WeakPolarHBondContact OD2-CE 3.25Å; D37-K97 IonicContact OD2-NZ 3.69Å; V38-K97 CarbonylContact O-C 3.52Å; V38-K97 VanDerWaalsContact O-CA 3.3Å; V38-K97 WeakPolarHBondContact O-CA 3.29Å; E39-K97 HydrophobicContact CG-CB 4.05Å; E39-K97 HydrophobicContact CG-CD 4.07Å; E39-K97 HydrophobicContact CG-CG 3.82Å; E39-K97 WeakPolarHBondContact OE1-CD 3.34Å; E39-K97 WeakPolarHBondContact OE1-CE 3.33Å; E39-K97 IonicContact OE1-NZ 3.95Å; E39-K97 PolarHBondContact OE1-NZ 2.74Å; F84-K97 WeakPolarHBondContact CA-O 3.27Å; F85-K97 HydrophobicContact CB-CB 4.4Å; F85-K97 PolarHBondContact N-O 3.48Å; F85-K97 PolarHBondContact O-N 3.07Å; K97-Q99 HydrophobicContact CD-CG 4.47Å; K97-Q99 HydrophobicContact CG-CG 4.36Å
98	I	98.2	Very high	94.7	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.9	174.3	-49	176.2	0	0	0	106.6	D37 V38 F84 T101 D105 Y109	D37-I98 CarbonylContact C-O 3.6Å; D37-I98 WeakPolarHBondContact CA-O 3.39Å; V38-I98 PolarHBondContact N-O 3.19Å; V38-I98 PolarHBondContact O-N 3.15Å; F84-I98 HydrophobicContact CD1-CD1 4.3Å; F84-I98 HydrophobicContact CD1-CG1 3.81Å; F84-I98 HydrophobicContact CD1-CG2 4.48Å; F84-I98 HydrophobicContact CD2-CG2 4.27Å; F84-I98 HydrophobicContact CE1-CB 4.35Å; F84-I98 HydrophobicContact CE1-CD1 3.56Å; F84-I98 HydrophobicContact CE1-CG1 3.54Å; F84-I98 HydrophobicContact CE1-CG2 4.01Å; F84-I98 HydrophobicContact CE2-CG2 3.77Å; F84-I98 HydrophobicContact CZ-CB 4.44Å; F84-I98 HydrophobicContact CZ-CD1 4.01Å; F84-I98 HydrophobicContact CZ-CG1 4.07Å; F84-I98 HydrophobicContact CZ-CG2 3.62Å; I98-T101 HydrophobicContact CB-CG2 4.27Å; I98-T101 HydrophobicContact CG2-CG2 3.94Å; I98-D105 HydrophobicContact CG2-CB 4.47Å; I98-Y109 HydrophobicContact CD1-CE1 3.81Å; I98-Y109 HydrophobicContact CD1-CE2 3.88Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.29Å
99	Q	98.2	Very high	94.8	Very high	50 Å²	50	56.4 Å²	56.4	23%	0.234	32%	0.316	C	S	.	.			trans	-90	145.8	177.2	-67	-165.2	-36.7	0	0	111.4	D37 R83 F85 K97 T101	D37-Q99 VanDerWaalsContact OD1-CA 3.29Å; D37-Q99 WeakPolarHBondContact OD1-CA 3.42Å; R83-Q99 PolarHBondContact NH1-O 2.84Å; R83-Q99 PolarHBondContact O-N 2.84Å; F85-Q99 HydrophobicContact CD2-CG 4.04Å; F85-Q99 HydrophobicContact CE2-CB 4.43Å; F85-Q99 HydrophobicContact CE2-CG 3.85Å; F85-Q99 VanDerWaalsContact CE2-OE1 3.26Å; K97-Q99 HydrophobicContact CD-CG 4.47Å; K97-Q99 HydrophobicContact CG-CG 4.36Å; Q99-T101 PolarHBondContact O-N 2.64Å
100	R	97.6	Very high	95	Very high	152 Å²	152	55.9 Å²	55.9	57%	0.574	31%	0.309	S	S	*	.	S	Bend	trans	47.4	60.9	175.7	-55.6	-179.2	-171.7	90.6	2.1	111.3	D37	D37-R100 PolarHBondContact OD1-N 2.78Å
101	T	97.5	Very high	95.2	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	28%	0.277	C	S	.	.			trans	-52.6	142.1	-173	50	0	0	0	0	112.8	T32 E33 K34 G35 K36 V38 I98 Q99 D105	T32-T101 HydrophobicContact CG2-CG2 4.19Å; E33-T101 PolarHBondContact O-OG1 3.49Å; E33-T101 VanDerWaalsContact O-OG1 3.11Å; K34-T101 CarbonylContact C-O 3.6Å; K34-T101 WeakPolarHBondContact CA-O 3.25Å; K34-T101 WeakPolarHBondContact CG-O 3.14Å; G35-T101 PolarHBondContact N-O 3.28Å; G35-T101 PolarHBondContact N-OG1 3.38Å; K36-T101 VanDerWaalsContact O-CG2 3.31Å; K36-T101 WeakPolarHBondContact O-CG2 3.39Å; K36-T101 PolarHBondContact O-N 2.72Å; K36-T101 PolarHBondContact O-OG1 3.44Å; V38-T101 HydrophobicContact CB-CG2 4.24Å; V38-T101 HydrophobicContact CG2-CG2 3.86Å; I98-T101 HydrophobicContact CB-CG2 4.27Å; I98-T101 HydrophobicContact CG2-CG2 3.94Å; Q99-T101 PolarHBondContact O-N 2.64Å; T101-D105 VanDerWaalsContact CA-OD2 3.31Å; T101-D105 WeakPolarHBondContact CA-OD2 3.35Å
102	E	96.9	Very high	95.8	Very high	98 Å²	98	50.1 Å²	50.1	46%	0.458	28%	0.281	S	S	.	.			trans	-117.2	163.9	176.6	-59.8	-172.2	157.5	0	0	110.3	R83 G104 D105	R83-E102 IonicContact NH2-OE2 3.46Å; E102-G104 PolarHBondContact O-N 3.32Å; E102-D105 PolarHBondContact N-OD2 2.78Å; E102-D105 WeakPolarHBondContact O-CB 3.45Å; E102-D105 PolarHBondContact O-N 2.85Å
103	Q	94.8	Very high	96.1	Very high	171 Å²	171	48.6 Å²	48.6	80%	0.799	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-57.4	-36.4	179.4	-172.6	175	37.4	0	0	111.8	D105 S106	Q103-D105 PolarHBondContact O-N 3.02Å; Q103-S106 VanDerWaalsContact O-CB 3.3Å; Q103-S106 WeakPolarHBondContact O-CB 3.42Å; Q103-S106 PolarHBondContact O-N 2.91Å; Q103-S106 PolarHBondContact O-OG 2.76Å
104	G	94.5	Very high	96.1	Very high	57 Å²	57	49.1 Å²	49.1	59%	0.588	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-67.1	-11.1	176.8	0	0	0	0	0	115.2	E102 S106	E102-G104 PolarHBondContact O-N 3.32Å; G104-S106 PolarHBondContact O-N 3.48Å
105	D	96.5	Very high	95.9	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.064	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-82.1	-3.8	175	-57.1	-29.7	0	0	0	112.3	R83 F84 I98 T101 E102 Q103 A107 Y109	R83-D105 IonicContact CZ-OD1 2.72Å; R83-D105 IonicContact CZ-OD2 3.54Å; R83-D105 IonicContact NH1-OD1 2.77Å; R83-D105 PolarHBondContact NH1-OD1 2.76Å; R83-D105 IonicContact NH1-OD2 2.76Å; R83-D105 PolarHBondContact NH1-OD2 2.82Å; R83-D105 IonicContact NH2-OD1 2.8Å; R83-D105 PolarHBondContact NH2-OD1 3Å; R83-D105 IonicContact NH2-OD2 3.27Å; F84-D105 HydrophobicContact CZ-CB 4.42Å; F84-D105 WeakPolarHBondContact CZ-OD1 3.32Å; I98-D105 HydrophobicContact CG2-CB 4.47Å; T101-D105 VanDerWaalsContact CA-OD2 3.31Å; T101-D105 WeakPolarHBondContact CA-OD2 3.35Å; E102-D105 PolarHBondContact N-OD2 2.78Å; E102-D105 WeakPolarHBondContact O-CB 3.45Å; E102-D105 PolarHBondContact O-N 2.85Å; Q103-D105 PolarHBondContact O-N 3.02Å; D105-A107 PolarHBondContact O-N 3.46Å; D105-A107 VanDerWaalsContact O-N 3.08Å; D105-Y109 WeakPolarHBondContact O-CE2 3.42Å; D105-Y109 PolarHBondContact O-OH 3.05Å
106	S	96.6	Very high	95.9	Very high	90 Å²	90	58.4 Å²	58.4	63%	0.629	32%	0.324	S	S	*	.			trans	-70.3	101.3	178.6	-56.7	0	0	0	0	110.3	Q103 G104	Q103-S106 VanDerWaalsContact O-CB 3.3Å; Q103-S106 WeakPolarHBondContact O-CB 3.42Å; Q103-S106 PolarHBondContact O-N 2.91Å; Q103-S106 PolarHBondContact O-OG 2.76Å; G104-S106 PolarHBondContact O-N 3.48Å
107	A	96.8	Very high	95.8	Very high	31 Å²	31	61.5 Å²	61.5	26%	0.256	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	165.4	-174.8	0	0	0	0	0	110.5	R55 Q56 D105 Y109	R55-A107 HydrophobicContact CG-CB 3.44Å; R55-A107 VanDerWaalsContact CG-CB 3.44Å; Q56-A107 WeakPolarHBondContact O-CB 3.26Å; D105-A107 PolarHBondContact O-N 3.46Å; D105-A107 VanDerWaalsContact O-N 3.08Å; A107-Y109 HydrophobicContact CB-CE2 4.11Å; A107-Y109 WeakPolarHBondContact O-CD2 3.11Å
108	A	96.2	Very high	95.7	Very high	47 Å²	47	61.7 Å²	61.7	39%	0.388	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.9	161.4	0	0	0	0	0	108.8	R55 Q56 L110	R55-A108 CarbonylContact C-O 3.48Å; Q56-A108 HydrophobicContact CB-CB 4.32Å; Q56-A108 PolarHBondContact N-O 2.97Å; Q56-A108 PolarHBondContact O-N 3.09Å; A108-L110 HydrophobicContact CB-CD2 4.21Å
109	Y	96.7	Very high	95.5	Very high	23 Å²	23	65 Å²	65	9%	0.09	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	105.4	174.6	-71.4	-88.3	0	0	0	108.4	Q25 L40 Y54 R55 L65 F84 L96 I98 D105 A107	Q25-Y109 PolarHBondContact NE2-O 2.85Å; Q25-Y109 PolarHBondContact OE1-O 3.23Å; L40-Y109 VanDerWaalsContact CD1-CB 3.4Å; L40-Y109 HydrophobicContact CD1-CD1 4.29Å; L40-Y109 HydrophobicContact CD1-CD2 3.81Å; L40-Y109 HydrophobicContact CD1-CG 3.56Å; Y54-Y109 CarbonylContact O-C 3.52Å; Y54-Y109 WeakPolarHBondContact O-CA 3.14Å; R55-Y109 HydrophobicContact CB-CD1 4.36Å; R55-Y109 HydrophobicContact CB-CE1 4.12Å; R55-Y109 HydrophobicContact CG-CD1 4.4Å; R55-Y109 HydrophobicContact CG-CE1 3.87Å; L65-Y109 HydrophobicContact CD1-CD1 4.21Å; L65-Y109 HydrophobicContact CD1-CE1 4.26Å; F84-Y109 AromaticContact CE1-CE1 3.87Å; F84-Y109 HydrophobicContact CE1-CE1 3.87Å; L96-Y109 HydrophobicContact CD2-CD1 3.6Å; L96-Y109 HydrophobicContact CD2-CE1 4.17Å; L96-Y109 HydrophobicContact CD2-CG 4.37Å; I98-Y109 HydrophobicContact CD1-CE1 3.81Å; I98-Y109 HydrophobicContact CD1-CE2 3.88Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.29Å; D105-Y109 WeakPolarHBondContact O-CE2 3.42Å; D105-Y109 PolarHBondContact O-OH 3.05Å; A107-Y109 HydrophobicContact CB-CE2 4.11Å; A107-Y109 WeakPolarHBondContact O-CD2 3.11Å
110	L	95.2	Very high	95.3	Very high	64 Å²	64	65.9 Å²	65.9	34%	0.335	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	154.6	-173.3	-50.3	173.9	0	0	0	110.6	Y54 Q56 P62 A108	Y54-L110 PolarHBondContact N-O 3.32Å; Y54-L110 PolarHBondContact O-N 3.02Å; Q56-L110 HydrophobicContact CB-CD1 4.05Å; Q56-L110 HydrophobicContact CB-CG 4.45Å; P62-L110 HydrophobicContact CB-CD1 4.24Å; P62-L110 HydrophobicContact CG-CD1 4.08Å; A108-L110 HydrophobicContact CB-CD2 4.21Å
111	R	93.1	Very high	95.2	Very high	45 Å²	45	60.2 Å²	60.2	17%	0.17	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.7	-175.8	-58.4	163.3	-48.6	122.1	6.7	109.5	V23 S24 Q25 C42 Y52 W53	V23-R111 HydrophobicContact CG1-CB 4.19Å; V23-R111 PolarHBondContact O-NH2 2.67Å; S24-R111 VanDerWaalsContact C-CZ 3.47Å; S24-R111 VanDerWaalsContact C-NH2 3.25Å; S24-R111 PolarHBondContact O-NH1 3.4Å; Q25-R111 VanDerWaalsContact CA-NH2 3.33Å; Q25-R111 VanDerWaalsContact N-CZ 3.3Å; C42-R111 VanDerWaalsContact CA-NH1 3.27Å; C42-R111 HydrophobicContact CB-CG 4.32Å; C42-R111 VanDerWaalsContact SG-CD 3.53Å; C42-R111 PolarHBondContact SG-NH1 3.28Å; Y52-R111 WeakPolarHBondContact O-CA 3.45Å; W53-R111 HydrophobicContact CD2-CG 4.09Å; W53-R111 HydrophobicContact CE3-CG 3.52Å; W53-R111 HydrophobicContact CH2-CG 3.75Å; W53-R111 HydrophobicContact CZ2-CG 4.26Å; W53-R111 VanDerWaalsContact CZ3-CD 3.41Å; W53-R111 HydrophobicContact CZ3-CG 3.33Å
112	A	94.7	Very high	95	Very high	36 Å²	36	63.8 Å²	63.8	30%	0.298	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.3	171	0	0	0	0	0	109.3	L51 Y52 Y54	L51-A112 WeakPolarHBondContact CA-O 3.37Å; Y52-A112 HydrophobicContact CD2-CB 4.14Å; Y52-A112 PolarHBondContact N-O 2.8Å; Y52-A112 PolarHBondContact O-N 2.77Å; Y54-A112 HydrophobicContact CE2-CB 4.28Å
113	S	93.5	Very high	94.9	Very high	20 Å²	20	61.2 Å²	61.2	14%	0.14	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.6	172.4	58.9	0	0	0	0	109.6	V23 H48 A50	V23-S113 VanDerWaalsContact CG2-OG 3.32Å; V23-S113 WeakPolarHBondContact CG2-OG 3.44Å; H48-S113 PolarHBondContact CE1-O 2.54Å; H48-S113 VanDerWaalsContact CE1-O 3.28Å; H48-S113 VanDerWaalsContact ND1-CB 3.35Å; H48-S113 WeakPolarHBondContact ND1-CB 3.13Å; H48-S113 PolarHBondContact ND1-O 2.84Å; H48-S113 PolarHBondContact ND1-OG 3.2Å; A50-S113 WeakPolarHBondContact O-CA 3.36Å; A50-S113 VanDerWaalsContact O-CB 3.25Å; A50-S113 WeakPolarHBondContact O-CB 3.36Å
114	S	93.5	Very high	94.9	Very high	43 Å²	43	52 Å²	52	30%	0.301	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.3	175.1	60.7	0	0	0	0	111.5	H48 T49 A50	H48-S114 CarbonylContact C-O 3.27Å; H48-S114 VanDerWaalsContact C-O 3.27Å; H48-S114 WeakPolarHBondContact CA-O 3.3Å; H48-S114 WeakPolarHBondContact CB-O 3.49Å; H48-S114 VanDerWaalsContact CG-C 3.47Å; H48-S114 WeakPolarHBondContact ND1-CA 3.4Å; H48-S114 PolarHBondContact ND1-N 2.86Å; T49-S114 PolarHBondContact N-O 3.47Å; A50-S114 WeakPolarHBondContact CB-O 3.41Å; A50-S114 WeakPolarHBondContact CB-OG 3.47Å; A50-S114 PolarHBondContact N-O 3.46Å; A50-S114 PolarHBondContact O-N 2.8Å; A50-S114 VanDerWaalsContact O-N 3.09Å
115	L	91.4	Very high	94.9	Very high	156 Å²	156	51.5 Å²	51.5	82%	0.817	32%	0.317	S	S	*	.			trans	-59.9	0	171.4	-69.4	173.2	0	0	0	111.4	G47 T49	G47-L115 WeakPolarHBondContact O-CD2 3.3Å; T49-L115 WeakPolarHBondContact CB-OXT 3.47Å; T49-L115 PolarHBondContact N-OXT 3.02Å; T49-L115 PolarHBondContact OG1-OXT 2.85Å

Retrieved 115 of 115 residues in 70.3 ms (Link to these results)

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