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T cell receptor beta variable 24-1

V region of the variable domain of T cell receptor (TR) beta chain that participates in the antigen recognition¹. 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 pathogens². 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 differentiation³. 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 avidity⁴.

AlphaFold DB , UniProt , Accession A0A075B6N3, Species HUMAN (Homo sapiens, Human), Gene TRBV24-1, Length 115 aa.

						>TVBX1_HUMAN|A0A075B6N3|TRBV24-1
MASLLFFCGAFYLLGTGSMDADVTQTPRNRITKTGKRIMLECSQTKGHDRMYWYRQDPGLGLQLIYYSFDVKDINKGEISDGYSVSRQAQAKFSLSLESAIPNQTALYFCATSDL
					

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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	42.4	Very low	55.7	Low	248 Å²	248	126.4 Å²	126.4	100%	1.222	70%	0.696	S	S	*	*				0	86.6	0	-69.9	175.9	-72.2	0	0	108.7
2	A	53.3	Low	56.2	Low	61 Å²	61	131.7 Å²	131.7	50%	0.504	70%	0.7	S	S	.	*			trans	-166.6	-16	170.8	0	0	0	0	0	113.6	L4	A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 3.39Å
3	S	59.1	Low	56.5	Low	98 Å²	98	133.1 Å²	133.1	69%	0.685	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-9	-173.7	-62.2	0	0	0	0	116.4
4	L	56.6	Low	56.7	Low	159 Å²	159	134.8 Å²	134.8	83%	0.832	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-22.1	-178.7	-73.9	165	0	0	0	113.6	A2	A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 3.39Å
5	L	56.9	Low	57.1	Low	144 Å²	144	130.4 Å²	130.4	75%	0.754	72%	0.715	S	S	*	*	H	α-helix	trans	-77.6	-27.7	-176.8	-65.1	173.4	0	0	0	112.7	F7 C8	L5-F7 PolarHBondContact O-N 3.1Å; L5-C8 PolarHBondContact O-N 3.1Å
6	F	55.5	Low	57.2	Low	168 Å²	168	131.3 Å²	131.3	74%	0.737	73%	0.725	S	S	*	*	H	α-helix	trans	-71.1	-27.5	-178.5	-77.7	-78.1	0	0	0	113.8
7	F	55.9	Low	57.5	Low	158 Å²	158	127.3 Å²	127.3	69%	0.693	72%	0.721	S	S	*	*	H	α-helix	trans	-77.9	-24.1	178.9	-78.7	-77.7	0	0	0	113.5	L5	L5-F7 PolarHBondContact O-N 3.1Å
8	C	59.9	Low	57.8	Low	74 Å²	74	126.6 Å²	126.6	50%	0.5	73%	0.726	S	S	.	*	H	α-helix	trans	-74.7	-35.6	-178.5	-163.4	0	0	0	0	111.9	L5 A10 Y12	L5-C8 PolarHBondContact O-N 3.1Å; C8-A10 PolarHBondContact O-N 3.3Å; C8-Y12 WeakPolarHBondContact O-CD2 3.5Å; C8-Y12 WeakPolarHBondContact O-CE2 3.39Å
9	G	57.7	Low	57.9	Low	47 Å²	47	129.7 Å²	129.7	49%	0.485	74%	0.736	S	S	.	*	H	α-helix	trans	-71.5	-26.6	179.3	0	0	0	0	0	114.9
10	A	58.2	Low	58.5	Low	57 Å²	57	128.6 Å²	128.6	47%	0.471	73%	0.728	S	S	.	*	H	α-helix	trans	-75.5	-26.9	-177.3	0	0	0	0	0	113.4	C8	C8-A10 PolarHBondContact O-N 3.3Å
11	F	57.6	Low	59.3	Low	176 Å²	176	124.9 Å²	124.9	77%	0.772	71%	0.713	S	S	*	*	H	α-helix	trans	-77.5	-20.7	-177.1	-102.5	-85.3	0	0	0	114.2	L13	F11-L13 PolarHBondContact O-N 3.18Å
12	Y	61.4	Low	61.6	Low	190 Å²	190	115.1 Å²	115.1	75%	0.745	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-11.4	-177.4	-67.7	-73.9	0	0	0	114.6	C8	C8-Y12 WeakPolarHBondContact O-CD2 3.5Å; C8-Y12 WeakPolarHBondContact O-CE2 3.39Å
13	L	59.9	Low	63.7	Low	150 Å²	150	114 Å²	114	79%	0.785	65%	0.653	S	S	*	*	S	Bend	trans	-99.7	-11.1	-177.4	-67.3	172.3	0	0	0	114.1	F11 G15	F11-L13 PolarHBondContact O-N 3.18Å; L13-G15 PolarHBondContact O-N 2.8Å
14	L	58.9	Low	65.5	Low	157 Å²	157	112.3 Å²	112.3	82%	0.822	64%	0.638	S	S	*	*	S	Bend	trans	-101.1	69.9	-175.9	-69	166.9	0	0	0	110.4
15	G	62.7	Low	67.4	Low	69 Å²	69	107.5 Å²	107.5	71%	0.711	61%	0.612	S	S	*	*			trans	-170.4	15.7	-178.2	0	0	0	0	0	118.4	L13 G17	L13-G15 PolarHBondContact O-N 2.8Å; G15-G17 PolarHBondContact O-N 3Å
16	T	58.8	Low	69.4	Low	144 Å²	144	104.8 Å²	104.8	88%	0.883	60%	0.601	S	S	*	*			trans	-88.6	67.4	164.4	58.9	0	0	0	0	108.9	S18	T16-S18 PolarHBondContact O-N 3.12Å; T16-S18 VanDerWaalsContact O-N 3.08Å
17	G	63	Low	71.4	Confident	64 Å²	64	99 Å²	99	66%	0.66	58%	0.58	S	S	*	*			trans	-60.2	113.4	164.4	0	0	0	0	0	107.3	G15 M19	G15-G17 PolarHBondContact O-N 3Å; G17-M19 VanDerWaalsContact C-N 3.32Å; G17-M19 PolarHBondContact O-N 2.79Å
18	S	62.1	Low	73.3	Confident	115 Å²	115	102.3 Å²	102.3	80%	0.804	59%	0.588	S	S	*	*			trans	-60.7	102.5	166	55.1	0	0	0	0	106.2	T16 D20	T16-S18 PolarHBondContact O-N 3.12Å; T16-S18 VanDerWaalsContact O-N 3.08Å; S18-D20 VanDerWaalsContact C-N 3.26Å; S18-D20 PolarHBondContact O-N 2.88Å
19	M	60.8	Low	75	Confident	185 Å²	185	105 Å²	105	91%	0.911	60%	0.598	S	S	*	*			trans	-66.6	97.5	169.5	-63.7	-172.5	84.1	0	0	105.6	G17 A21	G17-M19 VanDerWaalsContact C-N 3.32Å; G17-M19 PolarHBondContact O-N 2.79Å; M19-A21 PolarHBondContact O-N 2.8Å; M19-A21 VanDerWaalsContact O-N 3.07Å
20	D	69.4	Low	76.8	Confident	108 Å²	108	109.8 Å²	109.8	58%	0.578	60%	0.601	S	S	*	*			trans	-53.6	115.6	167.5	-178.9	40.8	0	0	0	106.9	S18 D22	S18-D20 VanDerWaalsContact C-N 3.26Å; S18-D20 PolarHBondContact O-N 2.88Å; D20-D22 PolarHBondContact O-N 2.92Å
21	A	76.2	Confident	78.6	Confident	51 Å²	51	115 Å²	115	42%	0.421	62%	0.619	S	S	.	*			trans	-71.2	119.8	-177.9	0	0	0	0	0	107.7	M19 V23 T24	M19-A21 PolarHBondContact O-N 2.8Å; M19-A21 VanDerWaalsContact O-N 3.07Å; A21-V23 PolarHBondContact O-N 3.01Å; A21-T24 HydrophobicContact CB-CG2 4.2Å
22	D	90	Very high	80.5	Confident	42 Å²	42	109 Å²	109	23%	0.225	60%	0.598	C	S	.	*	S	Bend	trans	-53.7	-41.1	176.8	170	36.3	0	0	0	111.3	D20 Q44 T45 K46 H48 T112	D20-D22 PolarHBondContact O-N 2.92Å; D22-Q44 CarbonylContact O-C 3.53Å; D22-Q44 WeakPolarHBondContact O-CA 3.28Å; D22-T45 PolarHBondContact O-N 3Å; D22-K46 HydrophobicContact CB-CG 4.05Å; D22-K46 WeakPolarHBondContact OD1-CB 3.22Å; D22-K46 WeakPolarHBondContact OD1-CG 3.34Å; D22-H48 IonicContact OD1-CD2 2.66Å; D22-H48 IonicContact OD1-NE2 3.43Å; D22-H48 IonicContact OD2-CD2 3.16Å; D22-H48 PolarHBondContact OD2-CD2 3.15Å; D22-H48 IonicContact OD2-NE2 3.22Å; D22-H48 PolarHBondContact OD2-NE2 3.34Å; D22-T112 PolarHBondContact OD2-OG1 3.48Å
23	V	96.3	Very high	82.2	Confident	38 Å²	38	107.8 Å²	107.8	23%	0.23	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.7	134.7	-176.3	-172.4	0	0	0	0	111.1	A21 C42 S43 Q44 C110 T112	A21-V23 PolarHBondContact O-N 3.01Å; V23-C42 WeakPolarHBondContact CG1-SG 3.44Å; V23-S43 CarbonylContact C-O 3.54Å; V23-S43 WeakPolarHBondContact CA-O 3.08Å; V23-Q44 HydrophobicContact CG2-CB 4.31Å; V23-C110 WeakPolarHBondContact CG1-SG 3.27Å; V23-T112 HydrophobicContact CG2-CG2 3.48Å; V23-T112 VanDerWaalsContact CG2-CG2 3.48Å
24	T	96.9	Very high	84	Confident	63 Å²	63	105.3 Å²	105.3	39%	0.387	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.8	151.7	-180	59	0	0	0	0	112.1	A21 C42 S43	A21-T24 HydrophobicContact CB-CG2 4.2Å; T24-C42 CarbonylContact O-C 3.57Å; T24-C42 WeakPolarHBondContact O-CA 3.5Å; T24-S43 PolarHBondContact N-O 3.41Å; T24-S43 PolarHBondContact O-N 3.12Å; T24-S43 PolarHBondContact OG1-O 3.14Å
25	Q	98.2	Very high	85.9	Confident	58 Å²	58	99.7 Å²	99.7	27%	0.271	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.1	131	-179.7	-73.7	177	-121.5	0	0	111.6	E41 W53 Y108 C110	Q25-E41 CarbonylContact C-O 3.52Å; Q25-E41 WeakPolarHBondContact CA-O 3.38Å; Q25-W53 HydrophobicContact CG-CH2 4.15Å; Q25-Y108 PolarHBondContact NE2-O 3.49Å; Q25-C110 HydrophobicContact CG-CB 4.19Å; Q25-C110 WeakPolarHBondContact CG-SG 3.23Å
26	T	97.8	Very high	87.6	Confident	87 Å²	87	102.3 Å²	102.3	53%	0.534	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.8	128.2	177.9	-59.8	0	0	0	0	111.8	E41	T26-E41 PolarHBondContact N-O 3.49Å; T26-E41 PolarHBondContact O-N 3.49Å
27	P	97.7	Very high	89.4	Confident	46 Å²	46	101.1 Å²	101.1	30%	0.299	54%	0.539	S	S	.	.	S	Bend	cis	-68.8	158.3	-15.1	32.9	-37.1	0	0	0	111.3	N29 R30 L40	P27-N29 VanDerWaalsContact C-N 3.27Å; P27-N29 PolarHBondContact O-N 2.95Å; P27-R30 HydrophobicContact CG-CB 4.03Å; P27-L40 HydrophobicContact CG-CD2 4.31Å
28	R	95.6	Very high	91	Very high	227 Å²	227	99.1 Å²	99.1	86%	0.857	51%	0.512	S	S	*	.	S	Bend	trans	-63.9	-33.9	173.4	178.5	179.9	-85.8	-156.4	-3.8	112.4
29	N	95.8	Very high	92.8	Very high	131 Å²	131	98.7 Å²	98.7	70%	0.701	50%	0.499	S	S	*	.			trans	-144.1	137.6	-178.3	35.5	-76.4	0	0	0	109.7	P27	P27-N29 VanDerWaalsContact C-N 3.27Å; P27-N29 PolarHBondContact O-N 2.95Å
30	R	96	Very high	94.6	Very high	147 Å²	147	90.7 Å²	90.7	56%	0.555	46%	0.46	S	S	*	.			trans	-138.1	120.3	-177.7	-176.9	62.6	170.9	-160.1	-1.9	110.4	P27 I38	P27-R30 HydrophobicContact CG-CB 4.03Å; R30-I38 HydrophobicContact CG-CG1 4.41Å; R30-I38 HydrophobicContact CG-CG2 3.99Å
31	I	96.5	Very high	95.9	Very high	167 Å²	167	87.9 Å²	87.9	86%	0.856	44%	0.443	S	S	*	.			trans	-111.2	132.5	170.7	-59.1	171.4	0	0	0	107
32	T	96.3	Very high	97	Very high	51 Å²	51	85.4 Å²	85.4	31%	0.313	42%	0.423	S	S	.	.			trans	-145.8	167.2	-179.2	-163.5	0	0	0	0	111.3	K36 I38 A100	T32-K36 VanDerWaalsContact OG1-CB 3.32Å; T32-K36 WeakPolarHBondContact OG1-CB 3.3Å; T32-I38 HydrophobicContact CG2-CD1 3.43Å; T32-I38 VanDerWaalsContact CG2-CD1 3.43Å; T32-I38 HydrophobicContact CG2-CG1 3.57Å; T32-A100 HydrophobicContact CG2-CB 3.97Å
33	K	97.5	Very high	97.4	Very high	163 Å²	163	84.6 Å²	84.6	71%	0.709	42%	0.42	S	S	*	.			trans	-80	149.1	170.9	-63.7	-176	179.3	-176.9	0	110.3	K36	K33-K36 HydrophobicContact CB-CG 4.1Å; K33-K36 VanDerWaalsContact O-CB 3.3Å; K33-K36 WeakPolarHBondContact O-CB 3.47Å; K33-K36 WeakPolarHBondContact O-CG 3.28Å; K33-K36 PolarHBondContact O-N 2.87Å
34	T	97.8	Very high	97.4	Very high	98 Å²	98	83.2 Å²	83.2	60%	0.601	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	141	169.6	-52.6	0	0	0	0	111.2	K36 A100	T34-K36 PolarHBondContact O-N 2.9Å; T34-A100 CarbonylContact C-O 3.57Å; T34-A100 WeakPolarHBondContact CA-O 3.34Å
35	G	97.9	Very high	97.3	Very high	40 Å²	40	84 Å²	84	41%	0.412	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-3.2	-179.9	0	0	0	0	0	114.9	S99 A100	G35-S99 WeakPolarHBondContact CA-OG 3.37Å; G35-A100 PolarHBondContact N-O 3.2Å
36	K	98.1	Very high	97.2	Very high	123 Å²	123	87.4 Å²	87.4	54%	0.535	43%	0.43	S	S	.	.			trans	-88.1	143.2	174.5	-64.4	-60.7	-176	-174.7	0	110.8	T32 K33 T34 A100	T32-K36 VanDerWaalsContact OG1-CB 3.32Å; T32-K36 WeakPolarHBondContact OG1-CB 3.3Å; K33-K36 HydrophobicContact CB-CG 4.1Å; K33-K36 VanDerWaalsContact O-CB 3.3Å; K33-K36 WeakPolarHBondContact O-CB 3.47Å; K33-K36 WeakPolarHBondContact O-CG 3.28Å; K33-K36 PolarHBondContact O-N 2.87Å; T34-K36 PolarHBondContact O-N 2.9Å; K36-A100 VanDerWaalsContact O-CB 3.23Å; K36-A100 WeakPolarHBondContact O-CB 3.22Å; K36-A100 PolarHBondContact O-N 2.82Å; K36-A100 VanDerWaalsContact O-N 3.09Å
37	R	97.5	Very high	97	Very high	120 Å²	120	85.1 Å²	85.1	45%	0.453	42%	0.424	S	S	.	.			trans	-64.8	136.1	172.4	-175.3	178	176.6	120.6	10.2	111.1	S96 L97 E98	R37-S96 VanDerWaalsContact NH2-CB 3.34Å; R37-S96 PolarHBondContact NH2-OG 3.38Å; R37-L97 CarbonylContact C-O 3.55Å; R37-L97 VanDerWaalsContact CA-O 3.29Å; R37-L97 WeakPolarHBondContact CA-O 3.44Å; R37-E98 WeakPolarHBondContact CA-O 3.3Å; R37-E98 IonicContact CZ-OE1 2.62Å; R37-E98 IonicContact CZ-OE2 2.79Å; R37-E98 IonicContact NE-OE2 3.16Å; R37-E98 IonicContact NH1-OE1 2.88Å; R37-E98 PolarHBondContact NH1-OE1 2.95Å; R37-E98 IonicContact NH1-OE2 2.8Å; R37-E98 PolarHBondContact NH1-OE2 3.18Å; R37-E98 IonicContact NH2-OE1 2.89Å; R37-E98 PolarHBondContact NH2-OE1 3.38Å
38	I	97.5	Very high	96.9	Very high	21 Å²	21	86.3 Å²	86.3	11%	0.108	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.9	167.2	-59.8	175.2	0	0	0	108.5	R30 T32 L40 S96 L97 A100	R30-I38 HydrophobicContact CG-CG1 4.41Å; R30-I38 HydrophobicContact CG-CG2 3.99Å; T32-I38 HydrophobicContact CG2-CD1 3.43Å; T32-I38 VanDerWaalsContact CG2-CD1 3.43Å; T32-I38 HydrophobicContact CG2-CG1 3.57Å; I38-L40 HydrophobicContact CG2-CD2 4.21Å; I38-L40 HydrophobicContact CG2-CG 4.26Å; I38-S96 VanDerWaalsContact O-CA 3.31Å; I38-S96 WeakPolarHBondContact O-CA 3.38Å; I38-L97 HydrophobicContact CB-CB 4.28Å; I38-L97 HydrophobicContact CD1-CD2 4.37Å; I38-L97 PolarHBondContact N-O 3.34Å; I38-L97 PolarHBondContact O-N 2.97Å; I38-A100 HydrophobicContact CD1-CB 3.79Å; I38-A100 HydrophobicContact CG1-CB 4.12Å
39	M	98.2	Very high	97	Very high	107 Å²	107	79.7 Å²	79.7	53%	0.527	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.7	168.4	-171.5	174.6	72	0	0	108.6	L95	M39-L95 CarbonylContact C-O 3.58Å; M39-L95 WeakPolarHBondContact CA-O 3.31Å
40	L	98.6	Very high	97.1	Very high	16 Å²	16	79.7 Å²	79.7	8%	0.084	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134	172.2	-56.3	177.4	0	0	0	107.3	P27 I38 W53 S94 L95 Y108	P27-L40 HydrophobicContact CG-CD2 4.31Å; I38-L40 HydrophobicContact CG2-CD2 4.21Å; I38-L40 HydrophobicContact CG2-CG 4.26Å; L40-W53 HydrophobicContact CB-CH2 3.63Å; L40-W53 HydrophobicContact CB-CZ2 3.99Å; L40-W53 HydrophobicContact CB-CZ3 4.33Å; L40-W53 HydrophobicContact CD1-CH2 4.37Å; L40-W53 HydrophobicContact CD1-CZ3 4.27Å; L40-S94 CarbonylContact O-C 3.58Å; L40-S94 VanDerWaalsContact O-CA 3.26Å; L40-S94 WeakPolarHBondContact O-CA 3.26Å; L40-L95 HydrophobicContact CB-CB 4.47Å; L40-L95 HydrophobicContact CD1-CD2 4.38Å; L40-L95 PolarHBondContact N-O 2.89Å; L40-L95 PolarHBondContact O-N 2.91Å; L40-Y108 HydrophobicContact CD1-CD1 4.35Å; L40-Y108 HydrophobicContact CD1-CD2 4.32Å; L40-Y108 HydrophobicContact CD1-CG 3.92Å
41	E	98.5	Very high	97.2	Very high	49 Å²	49	72.7 Å²	72.7	23%	0.229	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.4	175.9	-175.9	173.4	82.3	0	0	109	Q25 T26 K92	Q25-E41 CarbonylContact C-O 3.52Å; Q25-E41 WeakPolarHBondContact CA-O 3.38Å; T26-E41 PolarHBondContact N-O 3.49Å; T26-E41 PolarHBondContact O-N 3.49Å; E41-K92 IonicContact OE1-NZ 2.92Å; E41-K92 PolarHBondContact OE1-NZ 2.66Å; E41-K92 WeakPolarHBondContact OE2-CD 3.38Å; E41-K92 IonicContact OE2-NZ 3.93Å; E41-K92 PolarHBondContact OE2-NZ 2.9Å
42	C	98.3	Very high	97.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.6	165.5	-170.9	0	0	0	0	108.5	V23 T24 M51 W53 K92 F93 C110	V23-C42 WeakPolarHBondContact CG1-SG 3.44Å; T24-C42 CarbonylContact O-C 3.57Å; T24-C42 WeakPolarHBondContact O-CA 3.5Å; C42-M51 HydrophobicContact CB-CE 3.76Å; C42-M51 WeakPolarHBondContact SG-CE 3.47Å; C42-W53 HydrophobicContact CB-CH2 4.27Å; C42-W53 HydrophobicContact CB-CZ2 3.62Å; C42-K92 CarbonylContact O-C 3.57Å; C42-K92 VanDerWaalsContact O-CA 3.31Å; C42-K92 WeakPolarHBondContact O-CA 3.2Å; C42-F93 HydrophobicContact CB-CB 4.42Å; C42-F93 VanDerWaalsContact CB-O 3.24Å; C42-F93 WeakPolarHBondContact CB-O 3.27Å; C42-F93 PolarHBondContact N-O 2.62Å; C42-F93 PolarHBondContact O-N 2.99Å; C42-C110 HydrophobicContact CB-CB 3.39Å; C42-C110 WeakPolarHBondContact CB-SG 3.26Å; C42-C110 WeakPolarHBondContact SG-CB 3.46Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 2.92Å
43	S	98	Very high	97.4	Very high	24 Å²	24	62.8 Å²	62.8	17%	0.168	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.1	174.6	-64.5	0	0	0	0	110.8	V23 T24 A91	V23-S43 CarbonylContact C-O 3.54Å; V23-S43 WeakPolarHBondContact CA-O 3.08Å; T24-S43 PolarHBondContact N-O 3.41Å; T24-S43 PolarHBondContact O-N 3.12Å; T24-S43 PolarHBondContact OG1-O 3.14Å; S43-A91 CarbonylContact C-O 3.57Å; S43-A91 WeakPolarHBondContact CA-O 3.28Å
44	Q	96.5	Very high	97.4	Very high	9 Å²	9	55.5 Å²	55.5	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.2	176.7	64.6	80.2	19	0	0	112.6	D22 V23 H48 M51 Q90 A91 T112	D22-Q44 CarbonylContact O-C 3.53Å; D22-Q44 WeakPolarHBondContact O-CA 3.28Å; V23-Q44 HydrophobicContact CG2-CB 4.31Å; Q44-H48 PolarHBondContact NE2-O 2.95Å; Q44-H48 VanDerWaalsContact OE1-N 3.12Å; Q44-M51 HydrophobicContact CB-CE 4.28Å; Q44-M51 HydrophobicContact CG-CE 3.94Å; Q44-M51 HydrophobicContact CG-CG 4.47Å; Q44-M51 HydrophobicContact CG-SD 3.86Å; Q44-Q90 PolarHBondContact NE2-O 3.44Å; Q44-A91 PolarHBondContact N-O 3.33Å; Q44-T112 HydrophobicContact CB-CG2 3.73Å; Q44-T112 HydrophobicContact CG-CG2 3.93Å
45	T	96	Very high	97.4	Very high	81 Å²	81	52.6 Å²	52.6	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-111.4	-6.2	-173.8	64.6	0	0	0	0	114.7	D22	D22-T45 PolarHBondContact O-N 3Å
46	K	94.4	Very high	97.4	Very high	128 Å²	128	54 Å²	54	56%	0.557	26%	0.259	S	S	*	.	S	Bend	trans	-101.6	7.4	-173.7	-59.3	-63.6	177.7	-163.4	0	115.4	D22 H48	D22-K46 HydrophobicContact CB-CG 4.05Å; D22-K46 WeakPolarHBondContact OD1-CB 3.22Å; D22-K46 WeakPolarHBondContact OD1-CG 3.34Å; K46-H48 VanDerWaalsContact C-N 3.34Å
47	G	94.5	Very high	97.3	Very high	40 Å²	40	49.4 Å²	49.4	41%	0.412	24%	0.241	S	C	.	.			trans	69.7	32.2	179.2	0	0	0	0	0	112.7	D49 Q90	G47-D49 PolarHBondContact O-N 3.44Å; G47-Q90 PolarHBondContact O-NE2 3.5Å
48	H	96	Very high	97.2	Very high	71 Å²	71	49.9 Å²	49.9	33%	0.329	26%	0.259	S	S	.	.			trans	-69.1	123.8	173.4	-69.6	-62	0	0	0	110.9	D22 Q44 K46 R50 R87 T112	D22-H48 IonicContact OD1-CD2 2.66Å; D22-H48 IonicContact OD1-NE2 3.43Å; D22-H48 IonicContact OD2-CD2 3.16Å; D22-H48 PolarHBondContact OD2-CD2 3.15Å; D22-H48 IonicContact OD2-NE2 3.22Å; D22-H48 PolarHBondContact OD2-NE2 3.34Å; Q44-H48 PolarHBondContact NE2-O 2.95Å; Q44-H48 VanDerWaalsContact OE1-N 3.12Å; K46-H48 VanDerWaalsContact C-N 3.34Å; H48-R50 VanDerWaalsContact C-N 3.29Å; H48-R87 PolarHBondContact O-NH2 3.4Å; H48-T112 HydrophobicContact CB-CG2 3.66Å
49	D	96.3	Very high	97.2	Very high	87 Å²	87	53.1 Å²	53.1	47%	0.465	30%	0.297	S	S	.	.	S	Bend	trans	-65.5	-39.8	176.8	-54.6	-33.4	0	0	0	110.4	G47 F69 R87 Q90	G47-D49 PolarHBondContact O-N 3.44Å; D49-F69 CarbonylContact C-O 3.29Å; D49-F69 VanDerWaalsContact C-O 3.29Å; D49-F69 VanDerWaalsContact CB-O 3.26Å; D49-F69 WeakPolarHBondContact CB-O 3.32Å; D49-F69 CarbonylContact O-C 3.51Å; D49-F69 VanDerWaalsContact O-O 3.11Å; D49-R87 VanDerWaalsContact O-CZ 3.32Å; D49-R87 PolarHBondContact O-NH1 3.19Å; D49-R87 PolarHBondContact O-NH2 3.08Å; D49-Q90 PolarHBondContact OD1-NE2 2.89Å
50	R	97.6	Very high	96.9	Very high	131 Å²	131	53.5 Å²	53.5	49%	0.494	30%	0.301	S	S	.	.			trans	-88.3	135.6	-174.6	-48.5	-175.9	-72.8	-160	-7.1	111.6	H48 Y52 S68 F69 T112	H48-R50 VanDerWaalsContact C-N 3.29Å; R50-Y52 HydrophobicContact CB-CE2 3.69Å; R50-S68 CarbonylContact C-O 3.46Å; R50-S68 WeakPolarHBondContact CA-O 3.46Å; R50-F69 HydrophobicContact CB-CD1 4.48Å; R50-F69 HydrophobicContact CG-CD1 3.87Å; R50-T112 VanDerWaalsContact O-CA 3.32Å; R50-T112 WeakPolarHBondContact O-CA 3.4Å
51	M	98.4	Very high	96.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.5	171.4	-65.1	-176.6	80.6	0	0	110.8	C42 Q44 Y67 S68 R87 F93 A111 T112	C42-M51 HydrophobicContact CB-CE 3.76Å; C42-M51 WeakPolarHBondContact SG-CE 3.47Å; Q44-M51 HydrophobicContact CB-CE 4.28Å; Q44-M51 HydrophobicContact CG-CE 3.94Å; Q44-M51 HydrophobicContact CG-CG 4.47Å; Q44-M51 HydrophobicContact CG-SD 3.86Å; M51-Y67 CarbonylContact O-C 3.57Å; M51-Y67 WeakPolarHBondContact O-CA 2.98Å; M51-S68 PolarHBondContact N-O 3.07Å; M51-S68 PolarHBondContact O-N 3.42Å; M51-R87 VanDerWaalsContact SD-CZ 3.54Å; M51-R87 PolarHBondContact SD-NH2 2.92Å; M51-R87 VanDerWaalsContact SD-NH2 3.39Å; M51-F93 HydrophobicContact CB-CB 3.88Å; M51-F93 HydrophobicContact CB-CD1 3.6Å; M51-F93 HydrophobicContact CB-CE1 4.44Å; M51-F93 HydrophobicContact CB-CG 4.07Å; M51-F93 HydrophobicContact CE-CB 3.84Å; M51-F93 HydrophobicContact CG-CB 4.42Å; M51-F93 WeakPolarHBondContact O-CE1 2.91Å; M51-F93 HydrophobicContact SD-CB 3.7Å; M51-A111 CarbonylContact C-O 3.59Å; M51-A111 VanDerWaalsContact CA-O 3.27Å; M51-A111 WeakPolarHBondContact CA-O 3.32Å; M51-T112 HydrophobicContact CG-CG2 4.29Å
52	Y	98.7	Very high	96.7	Very high	11 Å²	11	55.4 Å²	55.4	4%	0.043	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147	-170.7	-56.7	-100.8	0	0	0	110	R50 Y54 L64 Y67 C110 A111 S113 D114	R50-Y52 HydrophobicContact CB-CE2 3.69Å; Y52-Y54 WeakPolarHBondContact CD1-OH 3.2Å; Y52-Y54 HydrophobicContact CG-CE2 4.16Å; Y52-L64 HydrophobicContact CD1-CD1 4.05Å; Y52-Y67 HydrophobicContact CD1-CG 4.34Å; Y52-Y67 HydrophobicContact CE1-CD2 4.5Å; Y52-Y67 HydrophobicContact CE1-CG 4.29Å; Y52-C110 WeakPolarHBondContact O-CA 3.12Å; Y52-C110 WeakPolarHBondContact O-CB 3.15Å; Y52-A111 PolarHBondContact N-O 2.84Å; Y52-A111 PolarHBondContact O-N 3.36Å; Y52-A111 VanDerWaalsContact O-N 3.11Å; Y52-S113 VanDerWaalsContact CE2-C 3.5Å; Y52-D114 HydrophobicContact CE1-CB 4.13Å
53	W	98.7	Very high	96.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.5	168	-85.8	108.9	0	0	0	109.5	Q25 L40 C42 I65 Y66 F93 L95 C110	Q25-W53 HydrophobicContact CG-CH2 4.15Å; L40-W53 HydrophobicContact CB-CH2 3.63Å; L40-W53 HydrophobicContact CB-CZ2 3.99Å; L40-W53 HydrophobicContact CB-CZ3 4.33Å; L40-W53 HydrophobicContact CD1-CH2 4.37Å; L40-W53 HydrophobicContact CD1-CZ3 4.27Å; C42-W53 HydrophobicContact CB-CH2 4.27Å; C42-W53 HydrophobicContact CB-CZ2 3.62Å; W53-I65 HydrophobicContact CB-CB 4.43Å; W53-I65 WeakPolarHBondContact O-CB 3.46Å; W53-I65 PolarHBondContact O-N 2.02Å; W53-Y66 PolarHBondContact N-O 3.11Å; W53-Y66 PolarHBondContact O-N 2.83Å; W53-F93 AromaticContact CD1-CD1 3.41Å; W53-F93 VanDerWaalsContact CD1-CD1 3.41Å; W53-F93 AromaticContact CD1-CE1 3.53Å; W53-F93 AromaticContact CD1-CG 3.94Å; W53-F93 HydrophobicContact CG-CD1 4.44Å; W53-F93 HydrophobicContact CG-CE1 4.43Å; W53-F93 AromaticContact NE1-CD1 3.78Å; W53-F93 AromaticContact NE1-CG 3.92Å; W53-F93 PolarHBondContact NE1-O 2.75Å; W53-L95 HydrophobicContact CB-CD2 4.37Å; W53-L95 HydrophobicContact CD2-CB 3.74Å; W53-L95 HydrophobicContact CD2-CD2 3.91Å; W53-L95 HydrophobicContact CD2-CG 4.4Å; W53-L95 HydrophobicContact CE3-CB 4.37Å; W53-L95 HydrophobicContact CE3-CD2 3.89Å; W53-L95 HydrophobicContact CG-CB 3.91Å; W53-L95 HydrophobicContact CG-CD2 4.14Å; W53-L95 HydrophobicContact CG-CG 4.43Å; W53-L95 HydrophobicContact CZ2-CB 4.02Å; W53-L95 HydrophobicContact CZ3-CD2 4.49Å; W53-C110 HydrophobicContact CD2-CB 3.97Å; W53-C110 HydrophobicContact CE3-CB 3.85Å; W53-C110 HydrophobicContact CH2-CB 3.95Å; W53-C110 HydrophobicContact CZ2-CB 4.08Å; W53-C110 HydrophobicContact CZ3-CB 3.83Å
54	Y	98.5	Very high	96.7	Very high	9 Å²	9	57.6 Å²	57.6	4%	0.035	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	153.5	175.2	-57.7	-91.8	0	0	0	110	Y52 L62 Q63 L64 Y108 F109 A111 D114 L115	Y52-Y54 WeakPolarHBondContact CD1-OH 3.2Å; Y52-Y54 HydrophobicContact CG-CE2 4.16Å; Y54-L62 HydrophobicContact CD1-CB 4.13Å; Y54-L62 HydrophobicContact CG-CB 4.49Å; Y54-Q63 VanDerWaalsContact CA-O 3.28Å; Y54-Q63 WeakPolarHBondContact CA-O 3.29Å; Y54-L64 HydrophobicContact CD1-CB 4.09Å; Y54-L64 HydrophobicContact CD1-CD1 3.9Å; Y54-L64 HydrophobicContact CE1-CB 3.98Å; Y54-L64 HydrophobicContact CE1-CD1 3.5Å; Y54-L64 VanDerWaalsContact CE1-CD1 3.5Å; Y54-L64 HydrophobicContact CE1-CG 4.28Å; Y54-L64 HydrophobicContact CE2-CD1 4.37Å; Y54-L64 HydrophobicContact CG-CD1 4.48Å; Y54-Y108 WeakPolarHBondContact O-CA 3.36Å; Y54-F109 PolarHBondContact N-O 3.12Å; Y54-F109 PolarHBondContact O-N 3.06Å; Y54-A111 HydrophobicContact CE2-CB 4.15Å; Y54-D114 PolarHBondContact OH-OD1 2.92Å; Y54-L115 HydrophobicContact CE2-CD1 4.34Å
55	R	97.7	Very high	96.8	Very high	38 Å²	38	57.2 Å²	57.2	14%	0.143	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.9	156.7	52.6	-178.8	-91.4	-176.6	17.8	110.6	D57 Q63 I65 I79 Y83 A106 L107 Y108	R55-D57 IonicContact CZ-OD1 3.79Å; R55-D57 IonicContact CZ-OD2 3.36Å; R55-D57 IonicContact NE-OD2 3.5Å; R55-D57 PolarHBondContact NE-OD2 2.86Å; R55-D57 IonicContact NH2-OD1 3.95Å; R55-D57 PolarHBondContact NH2-OD1 2.85Å; R55-D57 IonicContact NH2-OD2 3.3Å; R55-D57 PolarHBondContact NH2-OD2 3.42Å; R55-Q63 PolarHBondContact N-O 2.91Å; R55-Q63 PolarHBondContact O-N 2.96Å; R55-I65 HydrophobicContact CB-CD1 3.95Å; R55-I65 HydrophobicContact CB-CG1 4.37Å; R55-I65 HydrophobicContact CG-CD1 3.97Å; R55-I65 HydrophobicContact CG-CG1 3.89Å; R55-I79 HydrophobicContact CG-CD1 3.26Å; R55-I79 HydrophobicContact CG-CG1 4.43Å; R55-Y83 PolarHBondContact NH1-OH 3.09Å; R55-A106 HydrophobicContact CB-CB 4.43Å; R55-L107 CarbonylContact C-O 3.56Å; R55-L107 VanDerWaalsContact CA-O 3.27Å; R55-L107 WeakPolarHBondContact CA-O 3.1Å; R55-Y108 HydrophobicContact CB-CD1 4.21Å; R55-Y108 HydrophobicContact CB-CE1 4.04Å
56	Q	97.7	Very high	96.9	Very high	70 Å²	70	54.7 Å²	54.7	33%	0.327	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.8	173.5	-170.3	178.4	48.3	0	0	109.1	G61 L62 L107 F109	Q56-G61 WeakPolarHBondContact CG-O 3.42Å; Q56-L62 HydrophobicContact CB-CD2 4.04Å; Q56-L62 HydrophobicContact CG-CD2 4.49Å; Q56-L107 HydrophobicContact CB-CB 4.23Å; Q56-L107 PolarHBondContact N-O 2.76Å; Q56-L107 PolarHBondContact O-N 2.73Å; Q56-F109 HydrophobicContact CB-CD2 4.19Å; Q56-F109 HydrophobicContact CB-CE2 3.75Å
57	D	96.6	Very high	97.1	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	149.6	170.1	-69.5	-82.8	0	0	0	109.6	R55 G59 L60	R55-D57 IonicContact CZ-OD1 3.79Å; R55-D57 IonicContact CZ-OD2 3.36Å; R55-D57 IonicContact NE-OD2 3.5Å; R55-D57 PolarHBondContact NE-OD2 2.86Å; R55-D57 IonicContact NH2-OD1 3.95Å; R55-D57 PolarHBondContact NH2-OD1 2.85Å; R55-D57 IonicContact NH2-OD2 3.3Å; R55-D57 PolarHBondContact NH2-OD2 3.42Å; D57-G59 PolarHBondContact O-N 2.85Å; D57-G59 VanDerWaalsContact O-N 3.1Å; D57-L60 HydrophobicContact CB-CB 4.21Å; D57-L60 HydrophobicContact CB-CD1 3.88Å; D57-L60 HydrophobicContact CB-CG 4.26Å; D57-L60 PolarHBondContact O-N 3.4Å; D57-L60 VanDerWaalsContact O-N 3.1Å
58	P	95.3	Very high	97.3	Very high	130 Å²	130	49.4 Å²	49.4	84%	0.844	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	119.5	-179	-27	35.4	0	0	0	112.4	L60	P58-L60 VanDerWaalsContact C-N 3.3Å; P58-L60 PolarHBondContact O-N 2.92Å
59	G	95.9	Very high	97.4	Very high	88 Å²	88	50.8 Å²	50.8	91%	0.907	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-1.4	176.9	0	0	0	0	0	116.2	D57	D57-G59 PolarHBondContact O-N 2.85Å; D57-G59 VanDerWaalsContact O-N 3.1Å
60	L	93.7	Very high	97.4	Very high	116 Å²	116	50.5 Å²	50.5	61%	0.607	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-5	-177	-63.4	-174.4	0	0	0	114.6	D57 P58	D57-L60 HydrophobicContact CB-CB 4.21Å; D57-L60 HydrophobicContact CB-CD1 3.88Å; D57-L60 HydrophobicContact CB-CG 4.26Å; D57-L60 PolarHBondContact O-N 3.4Å; D57-L60 VanDerWaalsContact O-N 3.1Å; P58-L60 VanDerWaalsContact C-N 3.3Å; P58-L60 PolarHBondContact O-N 2.92Å
61	G	95	Very high	97.5	Very high	36 Å²	36	46.7 Å²	46.7	37%	0.371	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.1	-166.4	-174.2	0	0	0	0	0	112.5	Q56	Q56-G61 WeakPolarHBondContact CG-O 3.42Å
62	L	97.2	Very high	97.4	Very high	68 Å²	68	55.2 Å²	55.2	36%	0.356	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	134.4	175.4	-69.4	173.3	0	0	0	109.8	Y54 Q56 F109 L115	Y54-L62 HydrophobicContact CD1-CB 4.13Å; Y54-L62 HydrophobicContact CG-CB 4.49Å; Q56-L62 HydrophobicContact CB-CD2 4.04Å; Q56-L62 HydrophobicContact CG-CD2 4.49Å; L62-F109 HydrophobicContact CD2-CD2 3.63Å; L62-F109 HydrophobicContact CD2-CE2 4.17Å; L62-F109 HydrophobicContact CD2-CG 4.39Å; L62-L115 HydrophobicContact CD1-CB 4.12Å; L62-L115 HydrophobicContact CD1-CD1 3.51Å; L62-L115 HydrophobicContact CD1-CG 4.48Å
63	Q	97.6	Very high	97.4	Very high	45 Å²	45	57.2 Å²	57.2	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.8	175.5	-59.6	-177.6	-75.8	0	0	109.4	Y54 R55 I65 I79	Y54-Q63 VanDerWaalsContact CA-O 3.28Å; Y54-Q63 WeakPolarHBondContact CA-O 3.29Å; R55-Q63 PolarHBondContact N-O 2.91Å; R55-Q63 PolarHBondContact O-N 2.96Å; Q63-I65 PolarHBondContact O-N 3.16Å; Q63-I79 HydrophobicContact CB-CD1 3.26Å; Q63-I79 HydrophobicContact CB-CG1 4.01Å; Q63-I79 HydrophobicContact CG-CD1 4.24Å
64	L	98.4	Very high	97.4	Very high	26 Å²	26	60.3 Å²	60.3	14%	0.136	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124	-173.9	-175.4	64.2	0	0	0	110.8	Y52 Y54 Y67 G77 E78 I79	Y52-L64 HydrophobicContact CD1-CD1 4.05Å; Y54-L64 HydrophobicContact CD1-CB 4.09Å; Y54-L64 HydrophobicContact CD1-CD1 3.9Å; Y54-L64 HydrophobicContact CE1-CB 3.98Å; Y54-L64 HydrophobicContact CE1-CD1 3.5Å; Y54-L64 VanDerWaalsContact CE1-CD1 3.5Å; Y54-L64 HydrophobicContact CE1-CG 4.28Å; Y54-L64 HydrophobicContact CE2-CD1 4.37Å; Y54-L64 HydrophobicContact CG-CD1 4.48Å; L64-Y67 HydrophobicContact CD2-CD1 3.66Å; L64-Y67 HydrophobicContact CD2-CE1 4.19Å; L64-Y67 HydrophobicContact CD2-CG 4.43Å; L64-Y67 HydrophobicContact CG-CD1 4.41Å; L64-G77 CarbonylContact O-C 3.39Å; L64-G77 WeakPolarHBondContact O-CA 3.41Å; L64-E78 PolarHBondContact O-N 3.48Å; L64-I79 VanDerWaalsContact O-CG1 3.3Å; L64-I79 WeakPolarHBondContact O-CG1 3.4Å; L64-I79 PolarHBondContact O-N 2.85Å; L64-I79 VanDerWaalsContact O-N 3.14Å
65	I	98.6	Very high	97.4	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-56.3	176.4	-55.5	169.5	0	0	0	109.5	W53 R55 Q63 G77 I79 Y83 L95 Y108	W53-I65 HydrophobicContact CB-CB 4.43Å; W53-I65 WeakPolarHBondContact O-CB 3.46Å; W53-I65 PolarHBondContact O-N 2.02Å; R55-I65 HydrophobicContact CB-CD1 3.95Å; R55-I65 HydrophobicContact CB-CG1 4.37Å; R55-I65 HydrophobicContact CG-CD1 3.97Å; R55-I65 HydrophobicContact CG-CG1 3.89Å; Q63-I65 PolarHBondContact O-N 3.16Å; I65-G77 WeakPolarHBondContact O-CA 2.94Å; I65-G77 PolarHBondContact O-N 2.88Å; I65-I79 HydrophobicContact CG1-CD1 4.42Å; I65-I79 HydrophobicContact CG1-CG1 4.26Å; I65-Y83 HydrophobicContact CG2-CD1 4.29Å; I65-Y83 HydrophobicContact CG2-CD2 3.63Å; I65-Y83 HydrophobicContact CG2-CE2 4.35Å; I65-Y83 HydrophobicContact CG2-CG 3.59Å; I65-L95 HydrophobicContact CD1-CD2 3.95Å; I65-L95 HydrophobicContact CG2-CD1 4.01Å; I65-Y108 HydrophobicContact CD1-CD1 3.84Å; I65-Y108 HydrophobicContact CD1-CE1 3.7Å
66	Y	98.8	Very high	97.5	Very high	28 Å²	28	66.7 Å²	66.7	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.9	-178.6	-87	-88	0	0	0	110.3	W53 I74 N75 K76 S80 V85	W53-Y66 PolarHBondContact N-O 3.11Å; W53-Y66 PolarHBondContact O-N 2.83Å; Y66-I74 HydrophobicContact CD1-CG2 3.7Å; Y66-I74 HydrophobicContact CE1-CG2 3.74Å; Y66-N75 WeakPolarHBondContact CA-O 3.27Å; Y66-N75 WeakPolarHBondContact CD1-O 3.39Å; Y66-K76 HydrophobicContact CE1-CB 4.47Å; Y66-K76 HydrophobicContact CE1-CG 3.77Å; Y66-S80 VanDerWaalsContact CE2-CB 3.48Å; Y66-V85 HydrophobicContact CD1-CG1 4.41Å; Y66-V85 HydrophobicContact CD1-CG2 3.47Å; Y66-V85 VanDerWaalsContact CD1-CG2 3.47Å; Y66-V85 HydrophobicContact CD2-CG1 3.76Å; Y66-V85 HydrophobicContact CD2-CG2 4.21Å; Y66-V85 HydrophobicContact CE1-CG2 3.98Å; Y66-V85 HydrophobicContact CG-CB 4.32Å; Y66-V85 HydrophobicContact CG-CG1 3.69Å; Y66-V85 HydrophobicContact CG-CG2 3.63Å
67	Y	98.6	Very high	97.5	Very high	58 Å²	58	64.1 Å²	64.1	23%	0.227	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	164.9	170.8	64.9	-79.8	0	0	0	110.9	M51 Y52 L64 F69 N75 K76	M51-Y67 CarbonylContact O-C 3.57Å; M51-Y67 WeakPolarHBondContact O-CA 2.98Å; Y52-Y67 HydrophobicContact CD1-CG 4.34Å; Y52-Y67 HydrophobicContact CE1-CD2 4.5Å; Y52-Y67 HydrophobicContact CE1-CG 4.29Å; L64-Y67 HydrophobicContact CD2-CD1 3.66Å; L64-Y67 HydrophobicContact CD2-CE1 4.19Å; L64-Y67 HydrophobicContact CD2-CG 4.43Å; L64-Y67 HydrophobicContact CG-CD1 4.41Å; Y67-F69 HydrophobicContact CD2-CD1 4.45Å; Y67-F69 AromaticContact CD2-CE1 3.96Å; Y67-F69 HydrophobicContact CD2-CE1 3.96Å; Y67-F69 HydrophobicContact CD2-CE2 4.16Å; Y67-F69 AromaticContact CD2-CZ 3.81Å; Y67-F69 HydrophobicContact CD2-CZ 3.81Å; Y67-F69 HydrophobicContact CE2-CD2 4.34Å; Y67-F69 HydrophobicContact CE2-CE1 4.09Å; Y67-F69 AromaticContact CE2-CE2 3.59Å; Y67-F69 HydrophobicContact CE2-CE2 3.59Å; Y67-F69 AromaticContact CE2-CZ 3.45Å; Y67-F69 HydrophobicContact CE2-CZ 3.45Å; Y67-F69 VanDerWaalsContact CE2-CZ 3.45Å; Y67-N75 HydrophobicContact CD1-CB 3.85Å; Y67-N75 HydrophobicContact CD2-CB 3.77Å; Y67-N75 HydrophobicContact CE1-CB 3.46Å; Y67-N75 VanDerWaalsContact CE1-CB 3.46Å; Y67-N75 HydrophobicContact CE2-CB 3.34Å; Y67-N75 HydrophobicContact CG-CB 4.01Å; Y67-N75 PolarHBondContact N-O 3.27Å; Y67-N75 PolarHBondContact O-N 3.25Å; Y67-K76 WeakPolarHBondContact CE1-O 3.41Å
68	S	98.6	Very high	97.5	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	128.7	-175.1	171.7	0	0	0	0	108.3	R50 M51 D70 D73 R87	R50-S68 CarbonylContact C-O 3.46Å; R50-S68 WeakPolarHBondContact CA-O 3.46Å; M51-S68 PolarHBondContact N-O 3.07Å; M51-S68 PolarHBondContact O-N 3.42Å; S68-D70 PolarHBondContact OG-O 3.36Å; S68-D73 WeakPolarHBondContact CA-O 3.48Å; S68-D73 WeakPolarHBondContact CB-O 3.44Å; S68-D73 PolarHBondContact OG-O 2.82Å; S68-R87 PolarHBondContact O-NH1 2.81Å; S68-R87 WeakPolarHBondContact OG-CD 3.37Å; S68-R87 VanDerWaalsContact OG-CG 3.32Å; S68-R87 WeakPolarHBondContact OG-CG 3.46Å; S68-R87 PolarHBondContact OG-NH1 2.94Å
69	F	97.9	Very high	97.6	Very high	99 Å²	99	65.9 Å²	65.9	43%	0.434	35%	0.353	S	S	.	.	S	Bend	trans	-92.5	-18.7	176.7	-63.9	-46.6	0	0	0	113.4	D49 R50 Y67 D73	D49-F69 CarbonylContact C-O 3.29Å; D49-F69 VanDerWaalsContact C-O 3.29Å; D49-F69 VanDerWaalsContact CB-O 3.26Å; D49-F69 WeakPolarHBondContact CB-O 3.32Å; D49-F69 CarbonylContact O-C 3.51Å; D49-F69 VanDerWaalsContact O-O 3.11Å; R50-F69 HydrophobicContact CB-CD1 4.48Å; R50-F69 HydrophobicContact CG-CD1 3.87Å; Y67-F69 HydrophobicContact CD2-CD1 4.45Å; Y67-F69 AromaticContact CD2-CE1 3.96Å; Y67-F69 HydrophobicContact CD2-CE1 3.96Å; Y67-F69 HydrophobicContact CD2-CE2 4.16Å; Y67-F69 AromaticContact CD2-CZ 3.81Å; Y67-F69 HydrophobicContact CD2-CZ 3.81Å; Y67-F69 HydrophobicContact CE2-CD2 4.34Å; Y67-F69 HydrophobicContact CE2-CE1 4.09Å; Y67-F69 AromaticContact CE2-CE2 3.59Å; Y67-F69 HydrophobicContact CE2-CE2 3.59Å; Y67-F69 AromaticContact CE2-CZ 3.45Å; Y67-F69 HydrophobicContact CE2-CZ 3.45Å; Y67-F69 VanDerWaalsContact CE2-CZ 3.45Å; F69-D73 PolarHBondContact N-OD2 3.3Å
70	D	97	Very high	97.7	Very high	81 Å²	81	62.2 Å²	62.2	43%	0.433	31%	0.313	S	S	.	.	S	Bend	trans	-163.1	177.2	174.8	-160.1	-1	0	0	0	111.1	S68 K72 D73	S68-D70 PolarHBondContact OG-O 3.36Å; D70-K72 PolarHBondContact O-N 3.3Å; D70-D73 WeakPolarHBondContact O-CB 3.37Å; D70-D73 PolarHBondContact O-N 3.03Å
71	V	98.2	Very high	97.8	Very high	51 Å²	51	63.1 Å²	63.1	31%	0.309	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	129.3	172.4	177.2	0	0	0	0	111	D73 Q90	V71-D73 PolarHBondContact O-N 3.43Å; V71-D73 VanDerWaalsContact O-N 3.12Å; V71-Q90 HydrophobicContact CG2-CB 4.1Å; V71-Q90 VanDerWaalsContact CG2-N 3.25Å
72	K	97.9	Very high	97.9	Very high	180 Å²	180	64.1 Å²	64.1	78%	0.783	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-6.9	-176.7	-58.4	164.9	-177.6	179.5	0	115.9	D70 R87	D70-K72 PolarHBondContact O-N 3.3Å; K72-R87 PolarHBondContact N-O 2.82Å
73	D	98.4	Very high	98	Very high	52 Å²	52	61.7 Å²	61.7	28%	0.278	32%	0.316	S	S	.	.			trans	-78.1	122.4	170.8	173.7	67.3	0	0	0	109.8	S68 F69 D70 V71 N75	S68-D73 WeakPolarHBondContact CA-O 3.48Å; S68-D73 WeakPolarHBondContact CB-O 3.44Å; S68-D73 PolarHBondContact OG-O 2.82Å; F69-D73 PolarHBondContact N-OD2 3.3Å; D70-D73 WeakPolarHBondContact O-CB 3.37Å; D70-D73 PolarHBondContact O-N 3.03Å; V71-D73 PolarHBondContact O-N 3.43Å; V71-D73 VanDerWaalsContact O-N 3.12Å; D73-N75 PolarHBondContact OD1-ND2 2.87Å; D73-N75 VanDerWaalsContact OD1-ND2 3.08Å; D73-N75 PolarHBondContact OD2-ND2 2.85Å
74	I	98.4	Very high	98	Very high	65 Å²	65	61.5 Å²	61.5	33%	0.333	32%	0.319	S	S	.	.			trans	-134.5	117.9	-176	-61.2	-58.2	0	0	0	108.9	Y66 V85 R87 F93	Y66-I74 HydrophobicContact CD1-CG2 3.7Å; Y66-I74 HydrophobicContact CE1-CG2 3.74Å; I74-V85 HydrophobicContact CB-CG2 4.43Å; I74-V85 HydrophobicContact CD1-CG2 3.67Å; I74-V85 HydrophobicContact CG1-CG2 4.29Å; I74-V85 HydrophobicContact CG2-CG2 3.39Å; I74-R87 HydrophobicContact CD1-CB 3.76Å; I74-F93 HydrophobicContact CD1-CE2 3.78Å
75	N	98.6	Very high	98	Very high	45 Å²	45	61.5 Å²	61.5	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.7	-178.8	-63.4	-75	0	0	0	111.2	Y66 Y67 D73	Y66-N75 WeakPolarHBondContact CA-O 3.27Å; Y66-N75 WeakPolarHBondContact CD1-O 3.39Å; Y67-N75 HydrophobicContact CD1-CB 3.85Å; Y67-N75 HydrophobicContact CD2-CB 3.77Å; Y67-N75 HydrophobicContact CE1-CB 3.46Å; Y67-N75 VanDerWaalsContact CE1-CB 3.46Å; Y67-N75 HydrophobicContact CE2-CB 3.34Å; Y67-N75 HydrophobicContact CG-CB 4.01Å; Y67-N75 PolarHBondContact N-O 3.27Å; Y67-N75 PolarHBondContact O-N 3.25Å; D73-N75 PolarHBondContact OD1-ND2 2.87Å; D73-N75 VanDerWaalsContact OD1-ND2 3.08Å; D73-N75 PolarHBondContact OD2-ND2 2.85Å
76	K	98.5	Very high	98	Very high	137 Å²	137	63.7 Å²	63.7	60%	0.596	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.3	-179.5	-69.3	-177.2	170.9	-168.1	0	110.7	Y66 Y67	Y66-K76 HydrophobicContact CE1-CB 4.47Å; Y66-K76 HydrophobicContact CE1-CG 3.77Å; Y67-K76 WeakPolarHBondContact CE1-O 3.41Å
77	G	98.1	Very high	98	Very high	16 Å²	16	62.6 Å²	62.6	17%	0.165	33%	0.331	C	S	.	.			trans	-85.8	-167.3	163.7	0	0	0	0	0	112.2	L64 I65 I79	L64-G77 CarbonylContact O-C 3.39Å; L64-G77 WeakPolarHBondContact O-CA 3.41Å; I65-G77 WeakPolarHBondContact O-CA 2.94Å; I65-G77 PolarHBondContact O-N 2.88Å; G77-I79 PolarHBondContact O-N 3.39Å
78	E	96.7	Very high	97.9	Very high	152 Å²	152	67.5 Å²	67.5	71%	0.71	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.2	-179.9	-62.1	167	173.6	0	0	112.7	L64	L64-E78 PolarHBondContact O-N 3.48Å
79	I	96.8	Very high	97.9	Very high	41 Å²	41	69.4 Å²	69.4	21%	0.21	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133	54.3	-170.4	54.1	171.2	0	0	0	112.3	R55 Q63 L64 I65 G77 D81 Y83	R55-I79 HydrophobicContact CG-CD1 3.26Å; R55-I79 HydrophobicContact CG-CG1 4.43Å; Q63-I79 HydrophobicContact CB-CD1 3.26Å; Q63-I79 HydrophobicContact CB-CG1 4.01Å; Q63-I79 HydrophobicContact CG-CD1 4.24Å; L64-I79 VanDerWaalsContact O-CG1 3.3Å; L64-I79 WeakPolarHBondContact O-CG1 3.4Å; L64-I79 PolarHBondContact O-N 2.85Å; L64-I79 VanDerWaalsContact O-N 3.14Å; I65-I79 HydrophobicContact CG1-CD1 4.42Å; I65-I79 HydrophobicContact CG1-CG1 4.26Å; G77-I79 PolarHBondContact O-N 3.39Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 2.93Å; I79-Y83 WeakPolarHBondContact O-CD2 3.22Å
80	S	98	Very high	97.9	Very high	10 Å²	10	68.2 Å²	68.2	7%	0.07	37%	0.368	C	S	.	.			trans	-73.1	-17.1	179.4	61.1	0	0	0	0	114.8	Y66 G82 Y83	Y66-S80 VanDerWaalsContact CE2-CB 3.48Å; S80-G82 PolarHBondContact O-N 2.9Å; S80-Y83 PolarHBondContact O-N 2.94Å; S80-Y83 VanDerWaalsContact O-N 3.16Å
81	D	96.9	Very high	97.9	Very high	135 Å²	135	66.5 Å²	66.5	72%	0.722	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	132.7	-170.1	-70.8	-7	0	0	0	112.6	I79 Y83	I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 2.93Å; D81-Y83 WeakPolarHBondContact O-CD2 3.12Å; D81-Y83 WeakPolarHBondContact O-CE2 3.22Å; D81-Y83 PolarHBondContact O-N 2.89Å
82	G	97	Very high	97.9	Very high	58 Å²	58	68.2 Å²	68.2	60%	0.598	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	3.6	-175.9	0	0	0	0	0	114.6	S80 Q104	S80-G82 PolarHBondContact O-N 2.9Å; G82-Q104 PolarHBondContact O-NE2 2.84Å; G82-Q104 VanDerWaalsContact O-NE2 3.12Å
83	Y	98.2	Very high	98	Very high	17 Å²	17	59.7 Å²	59.7	7%	0.067	33%	0.331	C	S	.	.			trans	-116.8	153.9	174.8	-56	-79.9	0	0	0	111	R55 I65 I79 S80 D81 L95 S96 L97 Q104 Y108	R55-Y83 PolarHBondContact NH1-OH 3.09Å; I65-Y83 HydrophobicContact CG2-CD1 4.29Å; I65-Y83 HydrophobicContact CG2-CD2 3.63Å; I65-Y83 HydrophobicContact CG2-CE2 4.35Å; I65-Y83 HydrophobicContact CG2-CG 3.59Å; I79-Y83 WeakPolarHBondContact O-CD2 3.22Å; S80-Y83 PolarHBondContact O-N 2.94Å; S80-Y83 VanDerWaalsContact O-N 3.16Å; D81-Y83 WeakPolarHBondContact O-CD2 3.12Å; D81-Y83 WeakPolarHBondContact O-CE2 3.22Å; D81-Y83 PolarHBondContact O-N 2.89Å; Y83-L95 HydrophobicContact CD1-CD1 4.12Å; Y83-L95 HydrophobicContact CG-CD1 4.33Å; Y83-S96 WeakPolarHBondContact CA-O 3.31Å; Y83-L97 HydrophobicContact CD1-CD1 3.66Å; Y83-L97 HydrophobicContact CD1-CD2 4.49Å; Y83-L97 HydrophobicContact CD1-CG 3.74Å; Y83-L97 HydrophobicContact CE1-CD1 3.81Å; Y83-L97 HydrophobicContact CE1-CD2 3.98Å; Y83-L97 HydrophobicContact CE1-CG 3.73Å; Y83-Q104 HydrophobicContact CE1-CG 4.43Å; Y83-Y108 AromaticContact CE1-CE1 3.84Å; Y83-Y108 HydrophobicContact CE1-CE1 3.84Å; Y83-Y108 WeakPolarHBondContact CE1-OH 3.48Å; Y83-Y108 PolarHBondContact OH-OH 2.68Å
84	S	98.3	Very high	98	Very high	40 Å²	40	58 Å²	58	28%	0.28	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.1	167.7	62.4	0	0	0	0	109.4	L95 S96 E98	S84-L95 CarbonylContact O-C 3.34Å; S84-S96 PolarHBondContact N-O 2.91Å; S84-S96 PolarHBondContact O-N 2.88Å; S84-S96 WeakPolarHBondContact OG-CB 3.36Å; S84-E98 PolarHBondContact OG-OE1 3Å
85	V	98.7	Very high	98	Very high	26 Å²	26	54.9 Å²	54.9	16%	0.158	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	161.3	179.4	-67.6	0	0	0	0	112.3	Y66 I74 F93 S94 L95	Y66-V85 HydrophobicContact CD1-CG1 4.41Å; Y66-V85 HydrophobicContact CD1-CG2 3.47Å; Y66-V85 VanDerWaalsContact CD1-CG2 3.47Å; Y66-V85 HydrophobicContact CD2-CG1 3.76Å; Y66-V85 HydrophobicContact CD2-CG2 4.21Å; Y66-V85 HydrophobicContact CE1-CG2 3.98Å; Y66-V85 HydrophobicContact CG-CB 4.32Å; Y66-V85 HydrophobicContact CG-CG1 3.69Å; Y66-V85 HydrophobicContact CG-CG2 3.63Å; I74-V85 HydrophobicContact CB-CG2 4.43Å; I74-V85 HydrophobicContact CD1-CG2 3.67Å; I74-V85 HydrophobicContact CG1-CG2 4.29Å; I74-V85 HydrophobicContact CG2-CG2 3.39Å; V85-F93 HydrophobicContact CB-CD2 4.39Å; V85-F93 HydrophobicContact CB-CE2 3.55Å; V85-F93 HydrophobicContact CB-CZ 3.98Å; V85-F93 HydrophobicContact CG1-CE2 4.06Å; V85-F93 HydrophobicContact CG1-CZ 4.04Å; V85-F93 HydrophobicContact CG2-CE2 3.76Å; V85-F93 HydrophobicContact CG2-CZ 4.01Å; V85-S94 CarbonylContact C-O 3.5Å; V85-S94 WeakPolarHBondContact CA-O 3.24Å; V85-S94 VanDerWaalsContact CB-O 3.31Å; V85-S94 WeakPolarHBondContact CB-O 3.39Å; V85-L95 HydrophobicContact CG1-CB 4.42Å; V85-L95 HydrophobicContact CG1-CD1 3.67Å
86	S	98.5	Very high	98	Very high	47 Å²	47	53.1 Å²	53.1	33%	0.329	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126.2	173.4	-163.5	0	0	0	0	111	S94	S86-S94 PolarHBondContact N-O 3.08Å; S86-S94 PolarHBondContact O-N 2.86Å
87	R	98.2	Very high	98	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	82.3	174.9	-168.5	85.2	-173.1	-91.1	2.2	109.8	H48 D49 M51 S68 K72 I74 A89 Q90 K92 F93	H48-R87 PolarHBondContact O-NH2 3.4Å; D49-R87 VanDerWaalsContact O-CZ 3.32Å; D49-R87 PolarHBondContact O-NH1 3.19Å; D49-R87 PolarHBondContact O-NH2 3.08Å; M51-R87 VanDerWaalsContact SD-CZ 3.54Å; M51-R87 PolarHBondContact SD-NH2 2.92Å; M51-R87 VanDerWaalsContact SD-NH2 3.39Å; S68-R87 PolarHBondContact O-NH1 2.81Å; S68-R87 WeakPolarHBondContact OG-CD 3.37Å; S68-R87 VanDerWaalsContact OG-CG 3.32Å; S68-R87 WeakPolarHBondContact OG-CG 3.46Å; S68-R87 PolarHBondContact OG-NH1 2.94Å; K72-R87 PolarHBondContact N-O 2.82Å; I74-R87 HydrophobicContact CD1-CB 3.76Å; R87-A89 PolarHBondContact NE-O 2.89Å; R87-Q90 PolarHBondContact NH2-O 2.87Å; R87-K92 WeakPolarHBondContact CD-O 3.32Å; R87-K92 PolarHBondContact NE-O 3.22Å; R87-F93 HydrophobicContact CB-CD2 3.95Å; R87-F93 HydrophobicContact CB-CE2 4.26Å; R87-F93 HydrophobicContact CG-CD2 4.43Å
88	Q	97.9	Very high	97.9	Very high	162 Å²	162	50.8 Å²	50.8	76%	0.757	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	-19.4	-178.8	-65.1	-176.6	-2.7	0	0	113.5
89	A	98.2	Very high	97.9	Very high	40 Å²	40	46.8 Å²	46.8	33%	0.331	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.9	179.1	0	0	0	0	0	110	R87 A91 K92	R87-A89 PolarHBondContact NE-O 2.89Å; A89-A91 PolarHBondContact O-N 2.74Å; A89-K92 PolarHBondContact O-N 2.88Å
90	Q	97.4	Very high	97.9	Very high	73 Å²	73	45.2 Å²	45.2	34%	0.341	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.3	179.1	-171	-176.4	-11.5	0	0	111.2	Q44 G47 D49 V71 R87 K92	Q44-Q90 PolarHBondContact NE2-O 3.44Å; G47-Q90 PolarHBondContact O-NE2 3.5Å; D49-Q90 PolarHBondContact OD1-NE2 2.89Å; V71-Q90 HydrophobicContact CG2-CB 4.1Å; V71-Q90 VanDerWaalsContact CG2-N 3.25Å; R87-Q90 PolarHBondContact NH2-O 2.87Å; Q90-K92 VanDerWaalsContact C-N 3.3Å; Q90-K92 PolarHBondContact O-N 3.47Å
91	A	97.6	Very high	97.9	Very high	45 Å²	45	48.7 Å²	48.7	37%	0.372	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.8	177.7	0	0	0	0	0	114.9	S43 Q44 A89	S43-A91 CarbonylContact C-O 3.57Å; S43-A91 WeakPolarHBondContact CA-O 3.28Å; Q44-A91 PolarHBondContact N-O 3.33Å; A89-A91 PolarHBondContact O-N 2.74Å
92	K	98.4	Very high	97.9	Very high	88 Å²	88	46.2 Å²	46.2	38%	0.383	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133.6	-168.3	-68.6	-174.1	164.7	-143.3	0	113.7	E41 C42 R87 A89 Q90	E41-K92 IonicContact OE1-NZ 2.92Å; E41-K92 PolarHBondContact OE1-NZ 2.66Å; E41-K92 WeakPolarHBondContact OE2-CD 3.38Å; E41-K92 IonicContact OE2-NZ 3.93Å; E41-K92 PolarHBondContact OE2-NZ 2.9Å; C42-K92 CarbonylContact O-C 3.57Å; C42-K92 VanDerWaalsContact O-CA 3.31Å; C42-K92 WeakPolarHBondContact O-CA 3.2Å; R87-K92 WeakPolarHBondContact CD-O 3.32Å; R87-K92 PolarHBondContact NE-O 3.22Å; A89-K92 PolarHBondContact O-N 2.88Å; Q90-K92 VanDerWaalsContact C-N 3.3Å; Q90-K92 PolarHBondContact O-N 3.47Å
93	F	98.7	Very high	97.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	110.5	173	-169.6	-153.2	0	0	0	111.3	C42 M51 W53 I74 V85 R87	C42-F93 HydrophobicContact CB-CB 4.42Å; C42-F93 VanDerWaalsContact CB-O 3.24Å; C42-F93 WeakPolarHBondContact CB-O 3.27Å; C42-F93 PolarHBondContact N-O 2.62Å; C42-F93 PolarHBondContact O-N 2.99Å; M51-F93 HydrophobicContact CB-CB 3.88Å; M51-F93 HydrophobicContact CB-CD1 3.6Å; M51-F93 HydrophobicContact CB-CE1 4.44Å; M51-F93 HydrophobicContact CB-CG 4.07Å; M51-F93 HydrophobicContact CE-CB 3.84Å; M51-F93 HydrophobicContact CG-CB 4.42Å; M51-F93 WeakPolarHBondContact O-CE1 2.91Å; M51-F93 HydrophobicContact SD-CB 3.7Å; W53-F93 AromaticContact CD1-CD1 3.41Å; W53-F93 VanDerWaalsContact CD1-CD1 3.41Å; W53-F93 AromaticContact CD1-CE1 3.53Å; W53-F93 AromaticContact CD1-CG 3.94Å; W53-F93 HydrophobicContact CG-CD1 4.44Å; W53-F93 HydrophobicContact CG-CE1 4.43Å; W53-F93 AromaticContact NE1-CD1 3.78Å; W53-F93 AromaticContact NE1-CG 3.92Å; W53-F93 PolarHBondContact NE1-O 2.75Å; I74-F93 HydrophobicContact CD1-CE2 3.78Å; V85-F93 HydrophobicContact CB-CD2 4.39Å; V85-F93 HydrophobicContact CB-CE2 3.55Å; V85-F93 HydrophobicContact CB-CZ 3.98Å; V85-F93 HydrophobicContact CG1-CE2 4.06Å; V85-F93 HydrophobicContact CG1-CZ 4.04Å; V85-F93 HydrophobicContact CG2-CE2 3.76Å; V85-F93 HydrophobicContact CG2-CZ 4.01Å; R87-F93 HydrophobicContact CB-CD2 3.95Å; R87-F93 HydrophobicContact CB-CE2 4.26Å; R87-F93 HydrophobicContact CG-CD2 4.43Å
94	S	98.7	Very high	97.8	Very high	17 Å²	17	49.8 Å²	49.8	12%	0.119	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.6	-175.3	-58.3	0	0	0	0	111.7	L40 V85 S86	L40-S94 CarbonylContact O-C 3.58Å; L40-S94 VanDerWaalsContact O-CA 3.26Å; L40-S94 WeakPolarHBondContact O-CA 3.26Å; V85-S94 CarbonylContact C-O 3.5Å; V85-S94 WeakPolarHBondContact CA-O 3.24Å; V85-S94 VanDerWaalsContact CB-O 3.31Å; V85-S94 WeakPolarHBondContact CB-O 3.39Å; S86-S94 PolarHBondContact N-O 3.08Å; S86-S94 PolarHBondContact O-N 2.86Å
95	L	98.8	Very high	97.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.2	172.1	177.8	69.1	0	0	0	109.3	M39 L40 W53 I65 Y83 S84 V85 L97 Y108	M39-L95 CarbonylContact C-O 3.58Å; M39-L95 WeakPolarHBondContact CA-O 3.31Å; L40-L95 HydrophobicContact CB-CB 4.47Å; L40-L95 HydrophobicContact CD1-CD2 4.38Å; L40-L95 PolarHBondContact N-O 2.89Å; L40-L95 PolarHBondContact O-N 2.91Å; W53-L95 HydrophobicContact CB-CD2 4.37Å; W53-L95 HydrophobicContact CD2-CB 3.74Å; W53-L95 HydrophobicContact CD2-CD2 3.91Å; W53-L95 HydrophobicContact CD2-CG 4.4Å; W53-L95 HydrophobicContact CE3-CB 4.37Å; W53-L95 HydrophobicContact CE3-CD2 3.89Å; W53-L95 HydrophobicContact CG-CB 3.91Å; W53-L95 HydrophobicContact CG-CD2 4.14Å; W53-L95 HydrophobicContact CG-CG 4.43Å; W53-L95 HydrophobicContact CZ2-CB 4.02Å; W53-L95 HydrophobicContact CZ3-CD2 4.49Å; I65-L95 HydrophobicContact CD1-CD2 3.95Å; I65-L95 HydrophobicContact CG2-CD1 4.01Å; Y83-L95 HydrophobicContact CD1-CD1 4.12Å; Y83-L95 HydrophobicContact CG-CD1 4.33Å; S84-L95 CarbonylContact O-C 3.34Å; V85-L95 HydrophobicContact CG1-CB 4.42Å; V85-L95 HydrophobicContact CG1-CD1 3.67Å; L95-L97 HydrophobicContact CG-CD1 4.41Å; L95-Y108 HydrophobicContact CD2-CD1 3.75Å; L95-Y108 HydrophobicContact CD2-CE1 4.03Å
96	S	98.5	Very high	97.7	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.2	-179.4	-72	0	0	0	0	111.3	R37 I38 Y83 S84	R37-S96 VanDerWaalsContact NH2-CB 3.34Å; R37-S96 PolarHBondContact NH2-OG 3.38Å; I38-S96 VanDerWaalsContact O-CA 3.31Å; I38-S96 WeakPolarHBondContact O-CA 3.38Å; Y83-S96 WeakPolarHBondContact CA-O 3.31Å; S84-S96 PolarHBondContact N-O 2.91Å; S84-S96 PolarHBondContact O-N 2.88Å; S84-S96 WeakPolarHBondContact OG-CB 3.36Å
97	L	97.9	Very high	97.6	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	106.3	167.1	-68.2	65.9	0	0	0	105.3	R37 I38 Y83 L95 S99 Q104	R37-L97 CarbonylContact C-O 3.55Å; R37-L97 VanDerWaalsContact CA-O 3.29Å; R37-L97 WeakPolarHBondContact CA-O 3.44Å; I38-L97 HydrophobicContact CB-CB 4.28Å; I38-L97 HydrophobicContact CD1-CD2 4.37Å; I38-L97 PolarHBondContact N-O 3.34Å; I38-L97 PolarHBondContact O-N 2.97Å; Y83-L97 HydrophobicContact CD1-CD1 3.66Å; Y83-L97 HydrophobicContact CD1-CD2 4.49Å; Y83-L97 HydrophobicContact CD1-CG 3.74Å; Y83-L97 HydrophobicContact CE1-CD1 3.81Å; Y83-L97 HydrophobicContact CE1-CD2 3.98Å; Y83-L97 HydrophobicContact CE1-CG 3.73Å; L95-L97 HydrophobicContact CG-CD1 4.41Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.32Å; L97-Q104 HydrophobicContact CD2-CB 3.75Å; L97-Q104 HydrophobicContact CD2-CG 4.24Å
98	E	96.4	Very high	97.6	Very high	100 Å²	100	57.9 Å²	57.9	47%	0.467	32%	0.324	S	S	.	.	S	Bend	trans	-62.1	-39.8	-174.2	-67.6	-59	153.9	0	0	112.4	R37 S84	R37-E98 WeakPolarHBondContact CA-O 3.3Å; R37-E98 IonicContact CZ-OE1 2.62Å; R37-E98 IonicContact CZ-OE2 2.79Å; R37-E98 IonicContact NE-OE2 3.16Å; R37-E98 IonicContact NH1-OE1 2.88Å; R37-E98 PolarHBondContact NH1-OE1 2.95Å; R37-E98 IonicContact NH1-OE2 2.8Å; R37-E98 PolarHBondContact NH1-OE2 3.18Å; R37-E98 IonicContact NH2-OE1 2.89Å; R37-E98 PolarHBondContact NH2-OE1 3.38Å; S84-E98 PolarHBondContact OG-OE1 3Å
99	S	97.1	Very high	97.6	Very high	69 Å²	69	53.9 Å²	53.9	48%	0.483	30%	0.304	S	S	.	.	S	Bend	trans	-136.9	98	177.2	-177.7	0	0	0	0	108.1	G35 L97 I101	G35-S99 WeakPolarHBondContact CA-OG 3.37Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.32Å; S99-I101 PolarHBondContact O-N 2.77Å
100	A	97.2	Very high	97.6	Very high	7 Å²	7	52.7 Å²	52.7	6%	0.058	29%	0.293	C	S	.	.			trans	-63.8	131.7	-177.1	0	0	0	0	0	111.6	T32 T34 G35 K36 I38	T32-A100 HydrophobicContact CG2-CB 3.97Å; T34-A100 CarbonylContact C-O 3.57Å; T34-A100 WeakPolarHBondContact CA-O 3.34Å; G35-A100 PolarHBondContact N-O 3.2Å; K36-A100 VanDerWaalsContact O-CB 3.23Å; K36-A100 WeakPolarHBondContact O-CB 3.22Å; K36-A100 PolarHBondContact O-N 2.82Å; K36-A100 VanDerWaalsContact O-N 3.09Å; I38-A100 HydrophobicContact CD1-CB 3.79Å; I38-A100 HydrophobicContact CG1-CB 4.12Å
101	I	97.5	Very high	97.6	Very high	83 Å²	83	49.8 Å²	49.8	43%	0.426	28%	0.281	S	S	.	.			trans	-117.1	155.1	173.9	61.2	172.1	0	0	0	111.2	S99 N103 Q104	S99-I101 PolarHBondContact O-N 2.77Å; I101-N103 HydrophobicContact CD1-CB 4.29Å; I101-N103 PolarHBondContact O-N 3.29Å; I101-N103 VanDerWaalsContact O-N 3.15Å; I101-Q104 HydrophobicContact CD1-CG 4.31Å; I101-Q104 HydrophobicContact CG1-CB 4.4Å; I101-Q104 HydrophobicContact CG1-CG 3.68Å; I101-Q104 PolarHBondContact O-N 2.89Å
102	P	97.1	Very high	97.5	Very high	83 Å²	83	48.3 Å²	48.3	54%	0.539	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-53.8	-36.1	-178.6	-29.5	36.8	0	0	0	114.6	Q104 T105	P102-Q104 PolarHBondContact O-N 3.31Å; P102-Q104 VanDerWaalsContact O-N 3.12Å; P102-T105 VanDerWaalsContact O-CB 3.28Å; P102-T105 WeakPolarHBondContact O-CB 3.4Å; P102-T105 PolarHBondContact O-N 3.42Å; P102-T105 PolarHBondContact O-OG1 2.87Å
103	N	95.8	Very high	97.3	Very high	131 Å²	131	46.8 Å²	46.8	70%	0.701	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-67.6	-8.1	179.5	-67.6	11.7	0	0	0	114.5	I101	I101-N103 HydrophobicContact CD1-CB 4.29Å; I101-N103 PolarHBondContact O-N 3.29Å; I101-N103 VanDerWaalsContact O-N 3.15Å
104	Q	96.9	Very high	96.8	Very high	20 Å²	20	51.7 Å²	51.7	9%	0.093	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-97.3	10.8	173.1	-62.9	176.3	-52.5	0	0	111.8	G82 Y83 L97 I101 P102 A106 Y108	G82-Q104 PolarHBondContact O-NE2 2.84Å; G82-Q104 VanDerWaalsContact O-NE2 3.12Å; Y83-Q104 HydrophobicContact CE1-CG 4.43Å; L97-Q104 HydrophobicContact CD2-CB 3.75Å; L97-Q104 HydrophobicContact CD2-CG 4.24Å; I101-Q104 HydrophobicContact CD1-CG 4.31Å; I101-Q104 HydrophobicContact CG1-CB 4.4Å; I101-Q104 HydrophobicContact CG1-CG 3.68Å; I101-Q104 PolarHBondContact O-N 2.89Å; P102-Q104 PolarHBondContact O-N 3.31Å; P102-Q104 VanDerWaalsContact O-N 3.12Å; Q104-A106 PolarHBondContact O-N 3.39Å; Q104-Y108 WeakPolarHBondContact O-CE2 3.1Å; Q104-Y108 PolarHBondContact O-OH 2.86Å
105	T	97	Very high	96	Very high	118 Å²	118	58.4 Å²	58.4	72%	0.724	33%	0.328	S	S	*	.			trans	-75.8	102.8	172	-53.1	0	0	0	0	109.1	P102	P102-T105 VanDerWaalsContact O-CB 3.28Å; P102-T105 WeakPolarHBondContact O-CB 3.4Å; P102-T105 PolarHBondContact O-N 3.42Å; P102-T105 PolarHBondContact O-OG1 2.87Å
106	A	97.1	Very high	95.9	Very high	31 Å²	31	61.3 Å²	61.3	26%	0.256	34%	0.344	S	S	.	.	S	Bend	trans	-152.8	175.6	-176.7	0	0	0	0	0	111.2	R55 Q104 Y108	R55-A106 HydrophobicContact CB-CB 4.43Å; Q104-A106 PolarHBondContact O-N 3.39Å; A106-Y108 HydrophobicContact CB-CE2 4.13Å; A106-Y108 WeakPolarHBondContact O-CD2 3.31Å
107	L	97.8	Very high	95.7	Very high	103 Å²	103	64.2 Å²	64.2	54%	0.539	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139	163.4	-66.7	175.2	0	0	0	109.3	R55 Q56 F109	R55-L107 CarbonylContact C-O 3.56Å; R55-L107 VanDerWaalsContact CA-O 3.27Å; R55-L107 WeakPolarHBondContact CA-O 3.1Å; Q56-L107 HydrophobicContact CB-CB 4.23Å; Q56-L107 PolarHBondContact N-O 2.76Å; Q56-L107 PolarHBondContact O-N 2.73Å; L107-F109 HydrophobicContact CB-CE2 3.8Å; L107-F109 HydrophobicContact CB-CZ 4.18Å; L107-F109 HydrophobicContact CD1-CE2 4.48Å; L107-F109 HydrophobicContact CD1-CZ 4.31Å
108	Y	98.1	Very high	95.6	Very high	35 Å²	35	67.5 Å²	67.5	14%	0.137	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.7	-179.7	-72.3	-88.8	0	0	0	109.6	Q25 L40 Y54 R55 I65 Y83 L95 Q104 A106	Q25-Y108 PolarHBondContact NE2-O 3.49Å; L40-Y108 HydrophobicContact CD1-CD1 4.35Å; L40-Y108 HydrophobicContact CD1-CD2 4.32Å; L40-Y108 HydrophobicContact CD1-CG 3.92Å; Y54-Y108 WeakPolarHBondContact O-CA 3.36Å; R55-Y108 HydrophobicContact CB-CD1 4.21Å; R55-Y108 HydrophobicContact CB-CE1 4.04Å; I65-Y108 HydrophobicContact CD1-CD1 3.84Å; I65-Y108 HydrophobicContact CD1-CE1 3.7Å; Y83-Y108 AromaticContact CE1-CE1 3.84Å; Y83-Y108 HydrophobicContact CE1-CE1 3.84Å; Y83-Y108 WeakPolarHBondContact CE1-OH 3.48Å; Y83-Y108 PolarHBondContact OH-OH 2.68Å; L95-Y108 HydrophobicContact CD2-CD1 3.75Å; L95-Y108 HydrophobicContact CD2-CE1 4.03Å; Q104-Y108 WeakPolarHBondContact O-CE2 3.1Å; Q104-Y108 PolarHBondContact O-OH 2.86Å; A106-Y108 HydrophobicContact CB-CE2 4.13Å; A106-Y108 WeakPolarHBondContact O-CD2 3.31Å
109	F	97.7	Very high	95.6	Very high	78 Å²	78	65.6 Å²	65.6	34%	0.342	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.4	-179.8	-63.2	-79.1	0	0	0	109.9	Y54 Q56 L62 L107	Y54-F109 PolarHBondContact N-O 3.12Å; Y54-F109 PolarHBondContact O-N 3.06Å; Q56-F109 HydrophobicContact CB-CD2 4.19Å; Q56-F109 HydrophobicContact CB-CE2 3.75Å; L62-F109 HydrophobicContact CD2-CD2 3.63Å; L62-F109 HydrophobicContact CD2-CE2 4.17Å; L62-F109 HydrophobicContact CD2-CG 4.39Å; L107-F109 HydrophobicContact CB-CE2 3.8Å; L107-F109 HydrophobicContact CB-CZ 4.18Å; L107-F109 HydrophobicContact CD1-CE2 4.48Å; L107-F109 HydrophobicContact CD1-CZ 4.31Å
110	C	97.7	Very high	95.5	Very high	14 Å²	14	65.4 Å²	65.4	10%	0.095	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.9	163.7	80.7	0	0	0	0	111.4	V23 Q25 C42 Y52 W53	V23-C110 WeakPolarHBondContact CG1-SG 3.27Å; Q25-C110 HydrophobicContact CG-CB 4.19Å; Q25-C110 WeakPolarHBondContact CG-SG 3.23Å; C42-C110 HydrophobicContact CB-CB 3.39Å; C42-C110 WeakPolarHBondContact CB-SG 3.26Å; C42-C110 WeakPolarHBondContact SG-CB 3.46Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 2.92Å; Y52-C110 WeakPolarHBondContact O-CA 3.12Å; Y52-C110 WeakPolarHBondContact O-CB 3.15Å; W53-C110 HydrophobicContact CD2-CB 3.97Å; W53-C110 HydrophobicContact CE3-CB 3.85Å; W53-C110 HydrophobicContact CH2-CB 3.95Å; W53-C110 HydrophobicContact CZ2-CB 4.08Å; W53-C110 HydrophobicContact CZ3-CB 3.83Å
111	A	97.7	Very high	95.3	Very high	12 Å²	12	69.3 Å²	69.3	10%	0.099	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	162.2	-177.3	0	0	0	0	0	111.2	M51 Y52 Y54 S113 L115	M51-A111 CarbonylContact C-O 3.59Å; M51-A111 VanDerWaalsContact CA-O 3.27Å; M51-A111 WeakPolarHBondContact CA-O 3.32Å; Y52-A111 PolarHBondContact N-O 2.84Å; Y52-A111 PolarHBondContact O-N 3.36Å; Y52-A111 VanDerWaalsContact O-N 3.11Å; Y54-A111 HydrophobicContact CE2-CB 4.15Å; A111-S113 WeakPolarHBondContact CB-O 3.48Å; A111-L115 HydrophobicContact CB-CD1 4.38Å
112	T	96.5	Very high	95.2	Very high	14 Å²	14	68.3 Å²	68.3	9%	0.086	38%	0.384	C	S	.	.	S	Bend	trans	-107.3	-6.5	175.8	46	0	0	0	0	113.2	D22 V23 Q44 H48 R50 M51	D22-T112 PolarHBondContact OD2-OG1 3.48Å; V23-T112 HydrophobicContact CG2-CG2 3.48Å; V23-T112 VanDerWaalsContact CG2-CG2 3.48Å; Q44-T112 HydrophobicContact CB-CG2 3.73Å; Q44-T112 HydrophobicContact CG-CG2 3.93Å; H48-T112 HydrophobicContact CB-CG2 3.66Å; R50-T112 VanDerWaalsContact O-CA 3.32Å; R50-T112 WeakPolarHBondContact O-CA 3.4Å; M51-T112 HydrophobicContact CG-CG2 4.29Å
113	S	93.8	Very high	95	Very high	57 Å²	57	67.2 Å²	67.2	40%	0.399	37%	0.373	S	S	.	.	S	Bend	trans	-126.5	152.9	169.9	61.9	0	0	0	0	109.5	Y52 A111	Y52-S113 VanDerWaalsContact CE2-C 3.5Å; A111-S113 WeakPolarHBondContact CB-O 3.48Å
114	D	88.4	Confident	95	Very high	103 Å²	103	61.8 Å²	61.8	55%	0.551	35%	0.345	S	S	*	.			trans	-63.7	147.8	165.9	-157.7	14.9	0	0	0	109.7	Y52 Y54	Y52-D114 HydrophobicContact CE1-CB 4.13Å; Y54-D114 PolarHBondContact OH-OD1 2.92Å
115	L	81.1	Confident	94.8	Very high	157 Å²	157	65.6 Å²	65.6	82%	0.822	37%	0.368	S	S	*	.			trans	-113.6	0	-174.7	-70.8	177.5	0	0	0	112	Y54 L62 A111	Y54-L115 HydrophobicContact CE2-CD1 4.34Å; L62-L115 HydrophobicContact CD1-CB 4.12Å; L62-L115 HydrophobicContact CD1-CD1 3.51Å; L62-L115 HydrophobicContact CD1-CG 4.48Å; A111-L115 HydrophobicContact CB-CD1 4.38Å

Retrieved 115 of 115 residues in 83.5 ms (Link to these results)

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