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T cell receptor beta variable 16

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 A0A087WV62, Species HUMAN (Homo sapiens, Human), Gene TRBV16, Length 115 aa.

						>TVB16_HUMAN|A0A087WV62|TRBV16
MSPIFTCITILCLLAAGSPGEEVAQTPKHLVRGEGQKAKLYCAPIKGHSYVFWYQQVLKNEFKFLISFQNENVFDETGMPKERFSAKCLPNSPCSLEIQATKLEDSAVYFCASSQ
					

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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	52	Low	63.9	Low	239 Å²	239	114.5 Å²	114.5	100%	1.177	63%	0.626	S	S	*	*				0	112.9	0	-71.4	163	65.8	0	0	107.1
2	S	62.9	Low	64.1	Low	69 Å²	69	112.1 Å²	112.1	48%	0.483	62%	0.622	S	S	.	*			trans	-74	139.9	-166.5	-68.2	0	0	0	0	113.2	I4 F5	S2-I4 PolarHBondContact O-N 3.13Å; S2-I4 VanDerWaalsContact O-N 3.14Å; S2-F5 PolarHBondContact O-N 3.29Å
3	P	67.5	Low	64	Low	101 Å²	101	113.8 Å²	113.8	66%	0.656	63%	0.629	S	S	*	*	H	α-helix	trans	-65.5	-16.4	-176.5	25.8	-34.6	0	0	0	114.4	T6 C7	P3-T6 VanDerWaalsContact C-OG1 3.3Å; P3-T6 WeakPolarHBondContact CA-OG1 3.35Å; P3-T6 PolarHBondContact O-OG1 3.18Å; P3-C7 PolarHBondContact O-N 3.02Å
4	I	69.5	Low	63.9	Low	122 Å²	122	115.6 Å²	115.6	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-67.1	-40.6	176.1	-65.8	160.8	0	0	0	111	S2 T6 C7 I8	S2-I4 PolarHBondContact O-N 3.13Å; S2-I4 VanDerWaalsContact O-N 3.14Å; I4-T6 VanDerWaalsContact C-N 3.32Å; I4-T6 PolarHBondContact O-N 2.7Å; I4-C7 PolarHBondContact O-N 3.32Å; I4-I8 HydrophobicContact CG2-CD1 4.19Å; I4-I8 PolarHBondContact O-N 2.83Å
5	F	62.1	Low	64.1	Low	149 Å²	149	113.5 Å²	113.5	65%	0.654	64%	0.639	S	S	*	*	H	α-helix	trans	-65.3	-37.5	180	-71.1	-75.4	0	0	0	111.8	S2 C7 T9	S2-F5 PolarHBondContact O-N 3.29Å; F5-C7 VanDerWaalsContact C-N 3.34Å; F5-C7 PolarHBondContact O-N 3.37Å; F5-T9 PolarHBondContact O-N 2.82Å; F5-T9 PolarHBondContact O-OG1 2.78Å
6	T	60.5	Low	64	Low	81 Å²	81	111.2 Å²	111.2	50%	0.497	64%	0.639	S	S	.	*	H	α-helix	trans	-68.2	-30.6	177.8	43.2	0	0	0	0	113.1	P3 I4 T9 I10	P3-T6 VanDerWaalsContact C-OG1 3.3Å; P3-T6 WeakPolarHBondContact CA-OG1 3.35Å; P3-T6 PolarHBondContact O-OG1 3.18Å; I4-T6 VanDerWaalsContact C-N 3.32Å; I4-T6 PolarHBondContact O-N 2.7Å; T6-T9 WeakPolarHBondContact CA-OG1 3.4Å; T6-T9 PolarHBondContact O-OG1 3.42Å; T6-I10 WeakPolarHBondContact O-CD1 3.32Å; T6-I10 WeakPolarHBondContact O-CG1 3.47Å; T6-I10 PolarHBondContact O-N 2.68Å
7	C	66.5	Low	64	Low	88 Å²	88	108.4 Å²	108.4	60%	0.595	64%	0.64	S	S	*	*	H	α-helix	trans	-70.7	-42	178.7	-163.8	0	0	0	0	111.8	P3 I4 F5 T9 I10 L11	P3-C7 PolarHBondContact O-N 3.02Å; I4-C7 PolarHBondContact O-N 3.32Å; F5-C7 VanDerWaalsContact C-N 3.34Å; F5-C7 PolarHBondContact O-N 3.37Å; C7-T9 PolarHBondContact O-N 3.06Å; C7-I10 PolarHBondContact O-N 2.86Å; C7-L11 PolarHBondContact O-N 3.1Å; C7-L11 VanDerWaalsContact O-N 3.15Å
8	I	68.4	Low	64	Low	96 Å²	96	108.2 Å²	108.2	49%	0.492	65%	0.645	S	S	.	*	H	α-helix	trans	-64.3	-42.4	179.7	-61.4	166.3	0	0	0	110.7	I4 I10 L11 C12	I4-I8 HydrophobicContact CG2-CD1 4.19Å; I4-I8 PolarHBondContact O-N 2.83Å; I8-I10 VanDerWaalsContact C-N 3.33Å; I8-I10 PolarHBondContact O-N 3.05Å; I8-L11 PolarHBondContact O-N 2.97Å; I8-C12 PolarHBondContact O-N 3.42Å; I8-C12 PolarHBondContact O-SG 2.95Å; I8-C12 VanDerWaalsContact O-SG 3.33Å
9	T	65.9	Low	64	Low	81 Å²	81	109.4 Å²	109.4	50%	0.497	66%	0.656	S	S	.	*	H	α-helix	trans	-63.6	-36.6	179.3	49.3	0	0	0	0	113.1	F5 T6 C7 L13	F5-T9 PolarHBondContact O-N 2.82Å; F5-T9 PolarHBondContact O-OG1 2.78Å; T6-T9 WeakPolarHBondContact CA-OG1 3.4Å; T6-T9 PolarHBondContact O-OG1 3.42Å; C7-T9 PolarHBondContact O-N 3.06Å; T9-L13 WeakPolarHBondContact O-CG 3.47Å; T9-L13 PolarHBondContact O-N 2.78Å
10	I	63.2	Low	64.1	Low	106 Å²	106	106.9 Å²	106.9	54%	0.544	65%	0.654	S	S	.	*	H	α-helix	trans	-70.2	-41.7	178.2	-66.4	166.9	0	0	0	110.5	T6 C7 I8 C12 L13 L14	T6-I10 WeakPolarHBondContact O-CD1 3.32Å; T6-I10 WeakPolarHBondContact O-CG1 3.47Å; T6-I10 PolarHBondContact O-N 2.68Å; C7-I10 PolarHBondContact O-N 2.86Å; I8-I10 VanDerWaalsContact C-N 3.33Å; I8-I10 PolarHBondContact O-N 3.05Å; I10-C12 VanDerWaalsContact C-N 3.33Å; I10-C12 PolarHBondContact O-N 3.2Å; I10-L13 PolarHBondContact O-N 3.16Å; I10-L14 HydrophobicContact CG2-CD1 4.4Å; I10-L14 PolarHBondContact O-N 3.38Å
11	L	64	Low	65	Low	127 Å²	127	107.7 Å²	107.7	67%	0.665	65%	0.65	S	S	*	*	H	α-helix	trans	-64.6	-37	178.2	-167.5	68.6	0	0	0	112.2	C7 I8 L13 L14	C7-L11 PolarHBondContact O-N 3.1Å; C7-L11 VanDerWaalsContact O-N 3.15Å; I8-L11 PolarHBondContact O-N 2.97Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.89Å; L11-L14 PolarHBondContact O-N 2.84Å
12	C	67.2	Low	66.9	Low	86 Å²	86	104.2 Å²	104.2	58%	0.581	63%	0.631	S	S	*	*	H	α-helix	trans	-66.2	-32.8	176.1	-69.6	0	0	0	0	113.3	I8 I10	I8-C12 PolarHBondContact O-N 3.42Å; I8-C12 PolarHBondContact O-SG 2.95Å; I8-C12 VanDerWaalsContact O-SG 3.33Å; I10-C12 VanDerWaalsContact C-N 3.33Å; I10-C12 PolarHBondContact O-N 3.2Å
13	L	62.9	Low	68.4	Low	135 Å²	135	102.2 Å²	102.2	71%	0.707	62%	0.616	S	S	*	*	H	α-helix	trans	-74.1	-32.3	178	-73	165.5	0	0	0	112.5	T9 I10 L11 A15 A16	T9-L13 WeakPolarHBondContact O-CG 3.47Å; T9-L13 PolarHBondContact O-N 2.78Å; I10-L13 PolarHBondContact O-N 3.16Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.89Å; L13-A15 PolarHBondContact O-N 3.48Å; L13-A16 PolarHBondContact O-N 3.23Å
14	L	62.4	Low	69.8	Low	138 Å²	138	100 Å²	100	72%	0.723	61%	0.606	S	S	*	*	H	α-helix	trans	-71.1	-18.9	177	-69.2	171	0	0	0	113.4	I10 L11 A16	I10-L14 HydrophobicContact CG2-CD1 4.4Å; I10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 2.84Å; L14-A16 VanDerWaalsContact C-N 3.3Å
15	A	66.3	Low	71.2	Confident	84 Å²	84	96.9 Å²	96.9	69%	0.694	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-10.4	175.6	0	0	0	0	0	113.4	L13 G17	L13-A15 PolarHBondContact O-N 3.48Å; A15-G17 PolarHBondContact O-N 2.77Å
16	A	62.2	Low	72.9	Confident	77 Å²	77	94 Å²	94	64%	0.636	58%	0.583	S	S	*	*			trans	-77.9	77.7	171.1	0	0	0	0	0	108.7	L13 L14 S18	L13-A16 PolarHBondContact O-N 3.23Å; L14-A16 VanDerWaalsContact C-N 3.3Å; A16-S18 PolarHBondContact O-N 2.85Å
17	G	64.2	Low	74.7	Confident	63 Å²	63	92.3 Å²	92.3	65%	0.649	57%	0.574	S	S	*	*			trans	-50.4	129.6	164.4	0	0	0	0	0	108.4	A15	A15-G17 PolarHBondContact O-N 2.77Å
18	S	63.9	Low	76.1	Confident	106 Å²	106	97.3 Å²	97.3	74%	0.741	59%	0.586	S	S	*	*			trans	-49.8	136.3	169.5	32.2	0	0	0	0	108.3	A16 G20	A16-S18 PolarHBondContact O-N 2.85Å; S18-G20 PolarHBondContact O-N 2.77Å
19	P	63.9	Low	77.4	Confident	130 Å²	130	100.8 Å²	100.8	84%	0.844	60%	0.599	S	S	*	*			trans	-53.8	109	171.1	-17.8	28.6	0	0	0	106.4	E21	P19-E21 PolarHBondContact O-N 2.98Å
20	G	67.4	Low	78.9	Confident	60 Å²	60	99.5 Å²	99.5	62%	0.619	59%	0.589	S	S	*	*			trans	-55.9	143.3	172.9	0	0	0	0	0	107.6	S18 E22	S18-G20 PolarHBondContact O-N 2.77Å; G20-E22 PolarHBondContact O-N 2.78Å
21	E	82.3	Confident	80.6	Confident	124 Å²	124	100.6 Å²	100.6	58%	0.579	60%	0.601	S	S	*	*			trans	-64.2	113.7	170.9	-146.2	169.2	-177.4	0	0	106.8	P19 I45 K46	P19-E21 PolarHBondContact O-N 2.98Å; E21-I45 HydrophobicContact CB-CG1 4.45Å; E21-I45 HydrophobicContact CB-CG2 3.91Å; E21-I45 HydrophobicContact CG-CG2 3.87Å; E21-I45 WeakPolarHBondContact O-CD1 3.24Å; E21-I45 WeakPolarHBondContact O-CG1 3.27Å; E21-K46 WeakPolarHBondContact OE1-CB 3.49Å; E21-K46 PolarHBondContact OE1-N 3.31Å
22	E	90.9	Very high	82.2	Confident	166 Å²	166	100.5 Å²	100.5	78%	0.776	59%	0.591	S	S	*	*			trans	-111.8	150.4	-175.6	-169.2	-178.1	170.5	0	0	109.8	G20 A24	G20-E22 PolarHBondContact O-N 2.78Å; E22-A24 PolarHBondContact O-N 3.42Å
23	V	96.1	Very high	83.6	Confident	27 Å²	27	98.2 Å²	98.2	16%	0.164	58%	0.583	C	S	.	*			trans	-63.7	126.6	169.6	174.2	0	0	0	0	109.7	C42 I45 C111 S113	V23-C42 WeakPolarHBondContact CG1-SG 3.45Å; V23-I45 HydrophobicContact CG2-CD1 4.23Å; V23-I45 HydrophobicContact CG2-CG1 4.15Å; V23-C111 HydrophobicContact CG1-CB 4.18Å; V23-S113 WeakPolarHBondContact CG2-OG 3.39Å
24	A	96.4	Very high	85.3	Confident	54 Å²	54	98.5 Å²	98.5	45%	0.446	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	118.8	179	0	0	0	0	0	111	E22 C42 A43	E22-A24 PolarHBondContact O-N 3.42Å; A24-C42 CarbonylContact O-C 3.57Å; A24-C42 WeakPolarHBondContact O-CA 3.36Å; A24-A43 HydrophobicContact CB-CB 4.02Å; A24-A43 PolarHBondContact N-O 3.4Å; A24-A43 PolarHBondContact O-N 3.18Å
25	Q	97.9	Very high	87	Confident	56 Å²	56	94.3 Å²	94.3	26%	0.262	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.5	137.6	173.4	-96.9	-177.4	-83.1	0	0	112.6	Y41 C42 W53 Y109 C111	Q25-Y41 VanDerWaalsContact CA-O 3.29Å; Q25-Y41 WeakPolarHBondContact CA-O 3.47Å; Q25-C42 HydrophobicContact CG-CB 4.24Å; Q25-W53 HydrophobicContact CG-CH2 4.47Å; Q25-Y109 PolarHBondContact NE2-O 3.27Å; Q25-C111 VanDerWaalsContact CD-CB 3.48Å; Q25-C111 HydrophobicContact CG-CB 3.68Å
26	T	98.2	Very high	88.5	Confident	88 Å²	88	95.2 Å²	95.2	54%	0.54	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.5	138.9	179.4	-60.6	0	0	0	0	111.8	Y41	T26-Y41 PolarHBondContact N-O 3.21Å; T26-Y41 PolarHBondContact O-N 3.03Å
27	P	98.2	Very high	90.2	Very high	46 Å²	46	97.3 Å²	97.3	30%	0.299	56%	0.555	S	S	.	*			cis	-73.1	162	-12.7	32.5	-35.8	0	0	0	112	H29 L30	P27-H29 VanDerWaalsContact C-N 3.34Å; P27-L30 HydrophobicContact CG-CB 4.07Å; P27-L30 HydrophobicContact CG-CD1 3.98Å; P27-L30 HydrophobicContact CG-CG 4.48Å
28	K	96.3	Very high	91.8	Very high	193 Å²	193	94.8 Å²	94.8	84%	0.839	53%	0.528	S	S	*	.	S	Bend	trans	-67.5	-33.4	174.8	-67.3	-173.7	177.5	-174.4	0	113.1
29	H	96.9	Very high	93.5	Very high	169 Å²	169	93 Å²	93	78%	0.782	51%	0.508	S	S	*	.			trans	-134	136.4	177.2	-55.1	97.8	0	0	0	108.8	P27	P27-H29 VanDerWaalsContact C-N 3.34Å
30	L	97.4	Very high	95.1	Very high	54 Å²	54	87.8 Å²	87.8	28%	0.283	47%	0.472	S	S	.	.			trans	-136.3	112.3	-178.2	-174.9	61.9	0	0	0	109.8	P27 R32 A38 L40	P27-L30 HydrophobicContact CG-CB 4.07Å; P27-L30 HydrophobicContact CG-CD1 3.98Å; P27-L30 HydrophobicContact CG-CG 4.48Å; L30-R32 HydrophobicContact CD1-CG 4.42Å; L30-R32 VanDerWaalsContact CD1-NH1 3.32Å; L30-R32 HydrophobicContact CG-CG 4.22Å; L30-A38 HydrophobicContact CD2-CB 3.78Å; L30-L40 HydrophobicContact CB-CD2 4.35Å; L30-L40 HydrophobicContact CD2-CD2 3.87Å; L30-L40 HydrophobicContact CD2-CG 4.38Å
31	V	97.6	Very high	96.6	Very high	130 Å²	130	89.6 Å²	89.6	79%	0.788	46%	0.461	S	S	*	.			trans	-103.9	126.5	174.6	-175.3	0	0	0	0	108.9
32	R	97.5	Very high	97.4	Very high	124 Å²	124	83.7 Å²	83.7	47%	0.468	43%	0.434	S	S	.	.			trans	-138.8	138.9	177.1	-68.7	-63.9	-178.5	-97.2	5.4	109.3	L30 Q36 K37 A38 T101	L30-R32 HydrophobicContact CD1-CG 4.42Å; L30-R32 VanDerWaalsContact CD1-NH1 3.32Å; L30-R32 HydrophobicContact CG-CG 4.22Å; R32-Q36 HydrophobicContact CB-CB 4.33Å; R32-K37 VanDerWaalsContact CD-O 3.28Å; R32-K37 WeakPolarHBondContact CD-O 3.4Å; R32-K37 PolarHBondContact NE-O 2.96Å; R32-A38 HydrophobicContact CG-CB 4.03Å; R32-T101 HydrophobicContact CB-CG2 4.33Å
33	G	97.6	Very high	97.7	Very high	39 Å²	39	77.4 Å²	77.4	40%	0.402	41%	0.41	S	S	.	.			trans	-69.9	163.2	166.9	0	0	0	0	0	110.7	Q36 T101	G33-Q36 WeakPolarHBondContact O-CB 3.35Å; G33-Q36 PolarHBondContact O-N 3.3Å; G33-T101 PolarHBondContact O-OG1 2.93Å
34	E	97.4	Very high	97.7	Very high	140 Å²	140	78.3 Å²	78.3	65%	0.654	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	147.2	174.3	-64.4	-168.9	149.2	0	0	111.9	Q36 T101 L103	E34-Q36 PolarHBondContact O-N 3.03Å; E34-Q36 VanDerWaalsContact O-N 3.13Å; E34-T101 WeakPolarHBondContact CA-O 3.3Å; E34-L103 WeakPolarHBondContact OE1-CB 3.28Å; E34-L103 PolarHBondContact OE1-N 2.81Å
35	G	97.8	Very high	97.6	Very high	51 Å²	51	77.3 Å²	77.3	53%	0.526	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-8.2	-177.3	0	0	0	0	0	114.8	T101	G35-T101 PolarHBondContact N-O 2.83Å; G35-T101 PolarHBondContact N-OG1 2.79Å
36	Q	98.4	Very high	97.4	Very high	102 Å²	102	83 Å²	83	48%	0.477	43%	0.427	S	S	.	.	S	Bend	trans	-80.4	161.8	176.1	-60.5	-169.7	-46.8	0	0	111.6	R32 G33 E34 T101	R32-Q36 HydrophobicContact CB-CB 4.33Å; G33-Q36 WeakPolarHBondContact O-CB 3.35Å; G33-Q36 PolarHBondContact O-N 3.3Å; E34-Q36 PolarHBondContact O-N 3.03Å; E34-Q36 VanDerWaalsContact O-N 3.13Å; Q36-T101 PolarHBondContact N-OG1 2.79Å; Q36-T101 WeakPolarHBondContact O-CG2 3.31Å; Q36-T101 PolarHBondContact O-N 2.75Å; Q36-T101 PolarHBondContact O-OG1 2.86Å
37	K	98.4	Very high	97.1	Very high	121 Å²	121	81.9 Å²	81.9	53%	0.526	43%	0.433	S	S	.	.			trans	-79.5	132.3	172.2	-65.5	-173	179.9	-152.4	0	111.1	R32 I98 Q99	R32-K37 VanDerWaalsContact CD-O 3.28Å; R32-K37 WeakPolarHBondContact CD-O 3.4Å; R32-K37 PolarHBondContact NE-O 2.96Å; K37-I98 WeakPolarHBondContact CA-O 3.21Å; K37-Q99 WeakPolarHBondContact CG-O 3.1Å
38	A	98.4	Very high	97	Very high	10 Å²	10	81.9 Å²	81.9	8%	0.083	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133	168.5	0	0	0	0	0	109.2	L30 R32 E97 I98 T101	L30-A38 HydrophobicContact CD2-CB 3.78Å; R32-A38 HydrophobicContact CG-CB 4.03Å; A38-E97 CarbonylContact O-C 3.55Å; A38-E97 VanDerWaalsContact O-CA 3.3Å; A38-E97 WeakPolarHBondContact O-CA 3.21Å; A38-I98 HydrophobicContact CB-CB 4.26Å; A38-I98 HydrophobicContact CB-CD1 4.4Å; A38-I98 HydrophobicContact CB-CG1 4.47Å; A38-I98 PolarHBondContact N-O 2.85Å; A38-I98 PolarHBondContact O-N 2.87Å; A38-T101 HydrophobicContact CB-CG2 3.63Å
39	K	98.6	Very high	97	Very high	70 Å²	70	73.8 Å²	73.8	30%	0.304	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.2	-179.7	-167.9	164.3	-172.3	152.4	0	110.7	Y41 L96 E97	K39-Y41 HydrophobicContact CD-CE1 4.34Å; K39-Y41 WeakPolarHBondContact CD-OH 3.39Å; K39-Y41 WeakPolarHBondContact CE-OH 3.41Å; K39-Y41 HydrophobicContact CG-CE1 4.43Å; K39-Y41 HydrophobicContact CG-CE2 4.2Å; K39-L96 WeakPolarHBondContact CA-O 3.41Å; K39-E97 HydrophobicContact CB-CG 4.24Å; K39-E97 HydrophobicContact CD-CB 4.36Å; K39-E97 HydrophobicContact CD-CG 4.22Å; K39-E97 WeakPolarHBondContact CD-OE2 3.34Å; K39-E97 WeakPolarHBondContact CE-OE2 3.43Å; K39-E97 HydrophobicContact CG-CB 4.16Å; K39-E97 HydrophobicContact CG-CG 4.26Å; K39-E97 IonicContact NZ-OE2 3.58Å; K39-E97 PolarHBondContact NZ-OE2 2.03Å
40	L	98.7	Very high	97.1	Very high	20 Å²	20	68.1 Å²	68.1	11%	0.105	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.1	178.2	-60.4	171.1	0	0	0	108.8	L30 W53 S95 L96 Y109	L30-L40 HydrophobicContact CB-CD2 4.35Å; L30-L40 HydrophobicContact CD2-CD2 3.87Å; L30-L40 HydrophobicContact CD2-CG 4.38Å; L40-W53 HydrophobicContact CB-CH2 3.82Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.33Å; L40-S95 CarbonylContact O-C 3.58Å; L40-S95 VanDerWaalsContact O-CA 3.24Å; L40-S95 WeakPolarHBondContact O-CA 3.22Å; L40-L96 HydrophobicContact CD1-CD2 4.49Å; L40-L96 PolarHBondContact N-O 2.79Å; L40-L96 PolarHBondContact O-N 3.18Å; L40-Y109 VanDerWaalsContact CD1-CB 3.46Å; L40-Y109 HydrophobicContact CD1-CD1 4.33Å; L40-Y109 HydrophobicContact CD1-CD2 3.94Å; L40-Y109 HydrophobicContact CD1-CG 3.65Å
41	Y	98.6	Very high	97.2	Very high	98 Å²	98	65.9 Å²	65.9	38%	0.384	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.6	177.4	-60.2	-82.9	0	0	0	110.1	Q25 T26 K39 C94	Q25-Y41 VanDerWaalsContact CA-O 3.29Å; Q25-Y41 WeakPolarHBondContact CA-O 3.47Å; T26-Y41 PolarHBondContact N-O 3.21Å; T26-Y41 PolarHBondContact O-N 3.03Å; K39-Y41 HydrophobicContact CD-CE1 4.34Å; K39-Y41 WeakPolarHBondContact CD-OH 3.39Å; K39-Y41 WeakPolarHBondContact CE-OH 3.41Å; K39-Y41 HydrophobicContact CG-CE1 4.43Å; K39-Y41 HydrophobicContact CG-CE2 4.2Å; Y41-C94 CarbonylContact C-O 3.49Å; Y41-C94 VanDerWaalsContact CA-O 3.27Å; Y41-C94 WeakPolarHBondContact CA-O 3.38Å
42	C	98.3	Very high	97.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.4	176.7	176.4	0	0	0	0	110.1	V23 A24 Q25 W53 P93 C94 C111	V23-C42 WeakPolarHBondContact CG1-SG 3.45Å; A24-C42 CarbonylContact O-C 3.57Å; A24-C42 WeakPolarHBondContact O-CA 3.36Å; Q25-C42 HydrophobicContact CG-CB 4.24Å; C42-W53 HydrophobicContact CB-CH2 3.63Å; C42-W53 HydrophobicContact CB-CZ2 3.29Å; C42-P93 CarbonylContact O-C 3.44Å; C42-P93 WeakPolarHBondContact O-CA 3.3Å; C42-C94 PolarHBondContact N-O 2.74Å; C42-C94 PolarHBondContact O-N 3.34Å; C42-C111 HydrophobicContact CB-CB 3.52Å; C42-C111 WeakPolarHBondContact CB-SG 3.5Å; C42-C111 WeakPolarHBondContact SG-CB 3.23Å; C42-C111 CovalentContact SG-SG 2Å; C42-C111 PolarHBondContact SG-SG 3.13Å
43	A	97.1	Very high	97.3	Very high	33 Å²	33	55.8 Å²	55.8	27%	0.273	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116	170.5	0	0	0	0	0	108.3	A24 P93	A24-A43 HydrophobicContact CB-CB 4.02Å; A24-A43 PolarHBondContact N-O 3.4Å; A24-A43 PolarHBondContact O-N 3.18Å; A43-P93 HydrophobicContact CB-CB 4.42Å; A43-P93 HydrophobicContact CB-CG 4.43Å
44	P	96.2	Very high	97.3	Very high	47 Å²	47	56.7 Å²	56.7	31%	0.305	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-67.7	163	175.9	28.9	-34	0	0	0	111.7	H48 V51 S113	P44-H48 HydrophobicContact CB-CB 4.27Å; P44-V51 HydrophobicContact CB-CG2 3.83Å; P44-V51 HydrophobicContact CG-CG2 4Å; P44-S113 VanDerWaalsContact CB-CB 3.48Å
45	I	95.2	Very high	97.2	Very high	32 Å²	32	50.8 Å²	50.8	16%	0.164	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-61.9	145.9	168.7	-68	161.8	0	0	0	109	E21 V23 G47 H48 S113	E21-I45 HydrophobicContact CB-CG1 4.45Å; E21-I45 HydrophobicContact CB-CG2 3.91Å; E21-I45 HydrophobicContact CG-CG2 3.87Å; E21-I45 WeakPolarHBondContact O-CD1 3.24Å; E21-I45 WeakPolarHBondContact O-CG1 3.27Å; V23-I45 HydrophobicContact CG2-CD1 4.23Å; V23-I45 HydrophobicContact CG2-CG1 4.15Å; I45-G47 PolarHBondContact O-N 3.35Å; I45-H48 VanDerWaalsContact O-CB 3.31Å; I45-H48 WeakPolarHBondContact O-CB 3.5Å; I45-H48 PolarHBondContact O-N 3Å; I45-S113 PolarHBondContact N-OG 3.5Å
46	K	92.4	Very high	97.1	Very high	175 Å²	175	51.4 Å²	51.4	76%	0.761	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	129.7	-179.2	-173.1	-179.8	176.7	-177	0	111	E21 H48	E21-K46 WeakPolarHBondContact OE1-CB 3.49Å; E21-K46 PolarHBondContact OE1-N 3.31Å; K46-H48 VanDerWaalsContact C-N 3.3Å
47	G	92.8	Very high	96.8	Very high	65 Å²	65	49 Å²	49	67%	0.67	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-5.3	-179.8	0	0	0	0	0	114.7	I45 S49	I45-G47 PolarHBondContact O-N 3.35Å; G47-S49 PolarHBondContact O-N 3.33Å
48	H	96.3	Very high	95.9	Very high	46 Å²	46	49.9 Å²	49.9	21%	0.213	26%	0.261	C	S	.	.			trans	-74.4	126.5	171.6	-73.9	-162.1	0	0	0	110.1	P44 I45 K46 S113 S114	P44-H48 HydrophobicContact CB-CB 4.27Å; I45-H48 VanDerWaalsContact O-CB 3.31Å; I45-H48 WeakPolarHBondContact O-CB 3.5Å; I45-H48 PolarHBondContact O-N 3Å; K46-H48 VanDerWaalsContact C-N 3.3Å; H48-S113 PolarHBondContact CE1-O 3.48Å; H48-S113 WeakPolarHBondContact ND1-CB 3.38Å; H48-S113 PolarHBondContact ND1-O 3.35Å; H48-S113 PolarHBondContact ND1-OG 2.58Å; H48-S114 CarbonylContact C-O 3.52Å; H48-S114 VanDerWaalsContact CA-O 3.27Å; H48-S114 WeakPolarHBondContact CA-O 3.27Å; H48-S114 VanDerWaalsContact CB-O 3.24Å; H48-S114 WeakPolarHBondContact CB-O 3.24Å; H48-S114 VanDerWaalsContact CG-C 3.43Å; H48-S114 VanDerWaalsContact ND1-CA 3.33Å; H48-S114 WeakPolarHBondContact ND1-CA 3.4Å; H48-S114 PolarHBondContact ND1-N 2.89Å
49	S	96.4	Very high	94.7	Very high	23 Å²	23	59.2 Å²	59.2	16%	0.161	30%	0.3	C	S	.	.			trans	-94	-17.7	179.4	78	0	0	0	0	112.7	G47 Q69 N70 S114 Q115	G47-S49 PolarHBondContact O-N 3.33Å; S49-Q69 CarbonylContact O-C 3.39Å; S49-Q69 WeakPolarHBondContact O-CA 3.29Å; S49-N70 WeakPolarHBondContact CB-OD1 2.99Å; S49-N70 PolarHBondContact O-N 3Å; S49-S114 PolarHBondContact N-O 2.88Å; S49-Q115 WeakPolarHBondContact CB-OXT 3.37Å; S49-Q115 PolarHBondContact OG-OXT 3.13Å
50	Y	98.4	Very high	93.5	Very high	51 Å²	51	62.6 Å²	62.6	20%	0.2	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.7	177.6	-63.6	-92.2	0	0	0	112.8	F52 F68 Q69 F74 S113 S114 Q115	Y50-F52 HydrophobicContact CD1-CZ 4.44Å; Y50-F52 HydrophobicContact CG-CZ 4.24Å; Y50-F68 VanDerWaalsContact CA-O 3.23Å; Y50-F68 WeakPolarHBondContact CA-O 2.92Å; Y50-Q69 HydrophobicContact CD1-CB 4.01Å; Y50-Q69 HydrophobicContact CD1-CG 4.23Å; Y50-Q69 HydrophobicContact CE1-CB 3.74Å; Y50-Q69 HydrophobicContact CE1-CG 3.73Å; Y50-Q69 HydrophobicContact CE2-CG 4.45Å; Y50-Q69 PolarHBondContact OH-NE2 3.43Å; Y50-Q69 VanDerWaalsContact OH-NE2 3.13Å; Y50-F74 HydrophobicContact CE1-CD2 4.21Å; Y50-F74 HydrophobicContact CE1-CE2 4.35Å; Y50-F74 HydrophobicContact CE1-CG 4.35Å; Y50-S113 CarbonylContact O-C 3.47Å; Y50-S113 WeakPolarHBondContact O-CA 3.32Å; Y50-S113 WeakPolarHBondContact O-CB 3.36Å; Y50-S114 PolarHBondContact N-O 2.95Å; Y50-S114 PolarHBondContact O-N 3.34Å; Y50-S114 VanDerWaalsContact O-N 3.08Å; Y50-Q115 WeakPolarHBondContact CD2-O 3.47Å
51	V	98.5	Very high	93	Very high	6 Å²	6	67.8 Å²	67.8	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137	172.3	179	0	0	0	0	109.5	P44 S67 F68 C94 A112	P44-V51 HydrophobicContact CB-CG2 3.83Å; P44-V51 HydrophobicContact CG-CG2 4Å; V51-S67 CarbonylContact O-C 3.51Å; V51-S67 WeakPolarHBondContact O-CA 3.49Å; V51-F68 PolarHBondContact N-O 3.27Å; V51-F68 VanDerWaalsContact N-O 3.13Å; V51-F68 PolarHBondContact O-N 2.96Å; V51-C94 HydrophobicContact CG1-CB 4Å; V51-A112 WeakPolarHBondContact CA-O 3.46Å
52	F	98.6	Very high	92.7	Very high	42 Å²	42	68.4 Å²	68.4	18%	0.184	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.8	-176.1	-51.4	-94.3	0	0	0	110.2	Y50 Y54 F64 C111 A112	Y50-F52 HydrophobicContact CD1-CZ 4.44Å; Y50-F52 HydrophobicContact CG-CZ 4.24Å; F52-Y54 HydrophobicContact CB-CD2 4.35Å; F52-Y54 HydrophobicContact CB-CE2 3.46Å; F52-Y54 VanDerWaalsContact CB-CE2 3.46Å; F52-Y54 HydrophobicContact CG-CE2 4.42Å; F52-F64 HydrophobicContact CD1-CE2 4.43Å; F52-C111 VanDerWaalsContact O-CA 3.27Å; F52-C111 WeakPolarHBondContact O-CA 3.44Å; F52-C111 PolarHBondContact O-SG 3.25Å; F52-C111 VanDerWaalsContact O-SG 3.4Å; F52-A112 HydrophobicContact CB-CB 4.43Å; F52-A112 HydrophobicContact CD2-CB 4.36Å; F52-A112 PolarHBondContact N-O 2.68Å; F52-A112 PolarHBondContact O-N 3.41Å
53	W	98.6	Very high	92.5	Very high	0 Å²	0	72 Å²	72	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.6	171.7	-74.1	99	0	0	0	110.9	Q25 L40 C42 L65 I66 L96 F110 C111	Q25-W53 HydrophobicContact CG-CH2 4.47Å; L40-W53 HydrophobicContact CB-CH2 3.82Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.33Å; C42-W53 HydrophobicContact CB-CH2 3.63Å; C42-W53 HydrophobicContact CB-CZ2 3.29Å; W53-L65 HydrophobicContact CB-CB 4.3Å; W53-L65 HydrophobicContact CB-CD1 4.47Å; W53-L65 WeakPolarHBondContact O-CB 3.01Å; W53-L65 PolarHBondContact O-N 3.03Å; W53-I66 HydrophobicContact CB-CG2 3.95Å; W53-I66 HydrophobicContact CG-CG2 4.31Å; W53-I66 PolarHBondContact N-O 2.94Å; W53-L96 HydrophobicContact CB-CD2 4.43Å; W53-L96 HydrophobicContact CD2-CB 3.82Å; W53-L96 HydrophobicContact CD2-CD2 3.98Å; W53-L96 HydrophobicContact CD2-CG 4.43Å; W53-L96 HydrophobicContact CE3-CB 4.05Å; W53-L96 HydrophobicContact CE3-CD2 3.72Å; W53-L96 HydrophobicContact CG-CB 4.35Å; W53-L96 HydrophobicContact CG-CD2 4.31Å; W53-L96 HydrophobicContact CH2-CB 4.12Å; W53-L96 HydrophobicContact CZ2-CB 3.89Å; W53-L96 HydrophobicContact CZ3-CB 4.19Å; W53-L96 HydrophobicContact CZ3-CD2 4.25Å; W53-F110 WeakPolarHBondContact CA-O 3.49Å; W53-C111 HydrophobicContact CD2-CB 4.4Å; W53-C111 HydrophobicContact CE3-CB 4.1Å; W53-C111 HydrophobicContact CH2-CB 4.22Å; W53-C111 HydrophobicContact CZ2-CB 4.49Å; W53-C111 HydrophobicContact CZ3-CB 4.01Å
54	Y	97.8	Very high	92.5	Very high	58 Å²	58	72.9 Å²	72.9	23%	0.227	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.5	176.6	-53.1	-91.8	0	0	0	110.6	F52 F62 K63 F64 Y109 F110 A112	F52-Y54 HydrophobicContact CB-CD2 4.35Å; F52-Y54 HydrophobicContact CB-CE2 3.46Å; F52-Y54 VanDerWaalsContact CB-CE2 3.46Å; F52-Y54 HydrophobicContact CG-CE2 4.42Å; Y54-F62 VanDerWaalsContact CB-CZ 3.41Å; Y54-F62 HydrophobicContact CD1-CD1 4.11Å; Y54-F62 AromaticContact CD1-CE1 3.26Å; Y54-F62 HydrophobicContact CD1-CE1 3.26Å; Y54-F62 AromaticContact CD1-CZ 3.81Å; Y54-F62 HydrophobicContact CD1-CZ 3.81Å; Y54-F62 HydrophobicContact CD2-CE1 4.28Å; Y54-F62 HydrophobicContact CD2-CZ 4.03Å; Y54-F62 AromaticContact CE1-CE1 3.91Å; Y54-F62 HydrophobicContact CE1-CE1 3.91Å; Y54-F62 AromaticContact CG-CE1 3.49Å; Y54-F62 HydrophobicContact CG-CE1 3.49Å; Y54-F62 VanDerWaalsContact CG-CE1 3.49Å; Y54-F62 AromaticContact CG-CZ 3.49Å; Y54-F62 HydrophobicContact CG-CZ 3.49Å; Y54-F62 VanDerWaalsContact CG-CZ 3.49Å; Y54-K63 CarbonylContact C-O 3.5Å; Y54-K63 VanDerWaalsContact CA-O 3.22Å; Y54-K63 WeakPolarHBondContact CA-O 3.07Å; Y54-K63 WeakPolarHBondContact CB-O 3.2Å; Y54-F64 HydrophobicContact CD1-CB 4.12Å; Y54-F64 HydrophobicContact CD1-CD2 4.19Å; Y54-F64 HydrophobicContact CE1-CB 4.14Å; Y54-F64 AromaticContact CE1-CD2 3.77Å; Y54-F64 HydrophobicContact CE1-CD2 3.77Å; Y54-F64 HydrophobicContact CE1-CG 4.45Å; Y54-Y109 CarbonylContact O-C 3.38Å; Y54-Y109 WeakPolarHBondContact O-CA 3.2Å; Y54-F110 PolarHBondContact N-O 2.74Å; Y54-F110 PolarHBondContact O-N 2.82Å; Y54-A112 HydrophobicContact CE2-CB 4.32Å
55	Q	96.9	Very high	92.6	Very high	16 Å²	16	70.7 Å²	70.7	8%	0.075	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	172.7	-174.5	-176.2	12	0	0	108.8	V57 K63 L65 A107 Y109	Q55-V57 HydrophobicContact CG-CG2 4.1Å; Q55-K63 PolarHBondContact N-O 3.14Å; Q55-K63 PolarHBondContact O-N 3.21Å; Q55-L65 HydrophobicContact CB-CD1 4.1Å; Q55-L65 HydrophobicContact CB-CD2 4.11Å; Q55-L65 HydrophobicContact CB-CG 4.18Å; Q55-A107 HydrophobicContact CG-CB 3.61Å; Q55-Y109 HydrophobicContact CB-CD1 4.25Å; Q55-Y109 HydrophobicContact CB-CE1 4.07Å; Q55-Y109 HydrophobicContact CG-CD1 4.29Å; Q55-Y109 HydrophobicContact CG-CE1 3.8Å; Q55-Y109 PolarHBondContact NE2-OH 2.92Å
56	Q	95.5	Very high	92.8	Very high	64 Å²	64	69.2 Å²	69.2	30%	0.299	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.3	171.6	-167.4	178.4	11	0	0	109.9	L58 E61 F62 A107 V108 F110	Q56-L58 PolarHBondContact O-N 3.48Å; Q56-E61 WeakPolarHBondContact CA-O 3.3Å; Q56-F62 HydrophobicContact CB-CD2 3.94Å; Q56-F62 HydrophobicContact CG-CD2 4.1Å; Q56-A107 WeakPolarHBondContact O-CB 3.13Å; Q56-V108 PolarHBondContact N-O 3.24Å; Q56-V108 PolarHBondContact O-N 3.03Å; Q56-F110 HydrophobicContact CB-CD2 4.22Å; Q56-F110 HydrophobicContact CB-CE2 3.72Å
57	V	90.4	Very high	93.1	Very high	52 Å²	52	61 Å²	61	32%	0.315	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	102.5	178.1	-175	0	0	0	0	108.3	Q55 N60 E61 A107	Q55-V57 HydrophobicContact CG-CG2 4.1Å; V57-N60 WeakPolarHBondContact O-CB 3.49Å; V57-N60 PolarHBondContact O-N 3.42Å; V57-E61 PolarHBondContact N-O 3.33Å; V57-A107 HydrophobicContact CG2-CB 4.15Å
58	L	80.6	Confident	93.4	Very high	139 Å²	139	58.1 Å²	58.1	73%	0.728	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	-157.7	-177.7	-63.1	175	0	0	0	112.4	Q56 N60	Q56-L58 PolarHBondContact O-N 3.48Å; L58-N60 PolarHBondContact O-N 3.4Å
59	K	73.7	Confident	93.5	Very high	207 Å²	207	59.4 Å²	59.4	90%	0.9	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	18.9	178.5	-64.8	-175.7	178.4	-179.6	0	113.3
60	N	72.7	Confident	93.4	Very high	141 Å²	141	62.6 Å²	62.6	75%	0.754	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-85.8	-169.3	-68.6	42.9	0	0	0	110.7	V57 L58	V57-N60 WeakPolarHBondContact O-CB 3.49Å; V57-N60 PolarHBondContact O-N 3.42Å; L58-N60 PolarHBondContact O-N 3.4Å
61	E	87.1	Confident	93.4	Very high	129 Å²	129	64.7 Å²	64.7	60%	0.603	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.5	-164.4	-171.4	176.5	-159.2	0	0	110.7	Q56 V57	Q56-E61 WeakPolarHBondContact CA-O 3.3Å; V57-E61 PolarHBondContact N-O 3.33Å
62	F	92.9	Very high	93.4	Very high	111 Å²	111	69.6 Å²	69.6	49%	0.487	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111.3	169.2	-169.5	-91.4	0	0	0	108.2	Y54 Q56 F110	Y54-F62 VanDerWaalsContact CB-CZ 3.41Å; Y54-F62 HydrophobicContact CD1-CD1 4.11Å; Y54-F62 AromaticContact CD1-CE1 3.26Å; Y54-F62 HydrophobicContact CD1-CE1 3.26Å; Y54-F62 AromaticContact CD1-CZ 3.81Å; Y54-F62 HydrophobicContact CD1-CZ 3.81Å; Y54-F62 HydrophobicContact CD2-CE1 4.28Å; Y54-F62 HydrophobicContact CD2-CZ 4.03Å; Y54-F62 AromaticContact CE1-CE1 3.91Å; Y54-F62 HydrophobicContact CE1-CE1 3.91Å; Y54-F62 AromaticContact CG-CE1 3.49Å; Y54-F62 HydrophobicContact CG-CE1 3.49Å; Y54-F62 VanDerWaalsContact CG-CE1 3.49Å; Y54-F62 AromaticContact CG-CZ 3.49Å; Y54-F62 HydrophobicContact CG-CZ 3.49Å; Y54-F62 VanDerWaalsContact CG-CZ 3.49Å; Q56-F62 HydrophobicContact CB-CD2 3.94Å; Q56-F62 HydrophobicContact CG-CD2 4.1Å; F62-F110 HydrophobicContact CD2-CD2 4.45Å; F62-F110 AromaticContact CE2-CD2 3.61Å; F62-F110 HydrophobicContact CE2-CD2 3.61Å; F62-F110 HydrophobicContact CE2-CE2 4.04Å; F62-F110 HydrophobicContact CE2-CG 4.22Å; F62-F110 HydrophobicContact CZ-CD2 4.42Å
63	K	95.3	Very high	93.3	Very high	76 Å²	76	70.9 Å²	70.9	33%	0.33	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.7	-170.6	178.4	176.4	176.4	-171.5	0	110.8	Y54 Q55 G78	Y54-K63 CarbonylContact C-O 3.5Å; Y54-K63 VanDerWaalsContact CA-O 3.22Å; Y54-K63 WeakPolarHBondContact CA-O 3.07Å; Y54-K63 WeakPolarHBondContact CB-O 3.2Å; Q55-K63 PolarHBondContact N-O 3.14Å; Q55-K63 PolarHBondContact O-N 3.21Å; K63-G78 WeakPolarHBondContact CE-O 3.38Å; K63-G78 PolarHBondContact NZ-O 3.27Å
64	F	97.2	Very high	93.3	Very high	51 Å²	51	76.9 Å²	76.9	22%	0.224	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.6	166.5	172.7	-107.3	0	0	0	110.7	F52 Y54 I66 D75 G78	F52-F64 HydrophobicContact CD1-CE2 4.43Å; Y54-F64 HydrophobicContact CD1-CB 4.12Å; Y54-F64 HydrophobicContact CD1-CD2 4.19Å; Y54-F64 HydrophobicContact CE1-CB 4.14Å; Y54-F64 AromaticContact CE1-CD2 3.77Å; Y54-F64 HydrophobicContact CE1-CD2 3.77Å; Y54-F64 HydrophobicContact CE1-CG 4.45Å; F64-I66 WeakPolarHBondContact CE2-O 3.45Å; F64-D75 HydrophobicContact CE1-CB 4.17Å; F64-D75 HydrophobicContact CZ-CB 4.08Å; F64-G78 WeakPolarHBondContact O-CA 3.39Å
65	L	98.1	Very high	93.3	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-64.7	175.1	-60.9	179.6	0	0	0	111	W53 Q55 G78 M79 L96 Y109	W53-L65 HydrophobicContact CB-CB 4.3Å; W53-L65 HydrophobicContact CB-CD1 4.47Å; W53-L65 WeakPolarHBondContact O-CB 3.01Å; W53-L65 PolarHBondContact O-N 3.03Å; Q55-L65 HydrophobicContact CB-CD1 4.1Å; Q55-L65 HydrophobicContact CB-CD2 4.11Å; Q55-L65 HydrophobicContact CB-CG 4.18Å; L65-G78 CarbonylContact O-C 3.57Å; L65-G78 PolarHBondContact O-N 2.81Å; L65-M79 WeakPolarHBondContact O-CB 3.13Å; L65-M79 PolarHBondContact O-N 3.39Å; L65-L96 HydrophobicContact CD1-CD1 4.43Å; L65-L96 HydrophobicContact CD1-CD2 3.84Å; L65-Y109 HydrophobicContact CD1-CD1 4.11Å; L65-Y109 HydrophobicContact CD1-CE1 4.11Å
66	I	98.7	Very high	93.4	Very high	1 Å²	1	79.1 Å²	79.1	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.9	-171.6	-176.5	164.8	0	0	0	110.8	W53 F64 F68 V73 D75 E76 M79 A86	W53-I66 HydrophobicContact CB-CG2 3.95Å; W53-I66 HydrophobicContact CG-CG2 4.31Å; W53-I66 PolarHBondContact N-O 2.94Å; F64-I66 WeakPolarHBondContact CE2-O 3.45Å; I66-F68 HydrophobicContact CD1-CE1 4.4Å; I66-F68 HydrophobicContact CD1-CE2 3.74Å; I66-F68 HydrophobicContact CD1-CZ 3.57Å; I66-F68 HydrophobicContact CG1-CD2 4.36Å; I66-F68 HydrophobicContact CG1-CE2 3.79Å; I66-F68 HydrophobicContact CG1-CZ 4.13Å; I66-F68 HydrophobicContact CG2-CE2 4.1Å; I66-V73 HydrophobicContact CD1-CG1 4Å; I66-V73 HydrophobicContact CD1-CG2 4.21Å; I66-V73 HydrophobicContact CG1-CG1 4.31Å; I66-D75 CarbonylContact C-O 3.55Å; I66-D75 VanDerWaalsContact CA-O 3.24Å; I66-D75 WeakPolarHBondContact CA-O 3.38Å; I66-D75 WeakPolarHBondContact CG1-O 3.14Å; I66-E76 HydrophobicContact CB-CB 4.37Å; I66-E76 HydrophobicContact CD1-CB 3.76Å; I66-E76 HydrophobicContact CG1-CB 3.86Å; I66-M79 HydrophobicContact CB-SD 4.24Å; I66-M79 HydrophobicContact CD1-CE 3.83Å; I66-M79 HydrophobicContact CD1-SD 4Å; I66-M79 HydrophobicContact CG2-SD 4.2Å; I66-A86 HydrophobicContact CD1-CB 4.21Å; I66-A86 HydrophobicContact CG2-CB 3.92Å
67	S	98.6	Very high	93.5	Very high	3 Å²	3	81.9 Å²	81.9	2%	0.021	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.6	168.9	65.2	0	0	0	0	111.9	V51 F74 D75	V51-S67 CarbonylContact O-C 3.51Å; V51-S67 WeakPolarHBondContact O-CA 3.49Å; S67-F74 PolarHBondContact O-N 2.78Å; S67-D75 PolarHBondContact N-O 2.78Å; S67-D75 PolarHBondContact O-N 3.45Å; S67-D75 WeakPolarHBondContact OG-CB 3.27Å; S67-D75 PolarHBondContact OG-N 2Å
68	F	98.7	Very high	93.7	Very high	4 Å²	4	80.1 Å²	80.1	2%	0.018	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.2	176.1	-66.3	-96.3	0	0	0	109.7	Y50 V51 I66 N72 V73 A86 C88	Y50-F68 VanDerWaalsContact CA-O 3.23Å; Y50-F68 WeakPolarHBondContact CA-O 2.92Å; V51-F68 PolarHBondContact N-O 3.27Å; V51-F68 VanDerWaalsContact N-O 3.13Å; V51-F68 PolarHBondContact O-N 2.96Å; I66-F68 HydrophobicContact CD1-CE1 4.4Å; I66-F68 HydrophobicContact CD1-CE2 3.74Å; I66-F68 HydrophobicContact CD1-CZ 3.57Å; I66-F68 HydrophobicContact CG1-CD2 4.36Å; I66-F68 HydrophobicContact CG1-CE2 3.79Å; I66-F68 HydrophobicContact CG1-CZ 4.13Å; I66-F68 HydrophobicContact CG2-CE2 4.1Å; F68-N72 CarbonylContact C-O 3.47Å; F68-N72 WeakPolarHBondContact CA-O 3.36Å; F68-V73 HydrophobicContact CD1-CG2 4.18Å; F68-V73 HydrophobicContact CE1-CG2 3.64Å; F68-V73 HydrophobicContact CZ-CG2 4.26Å; F68-A86 HydrophobicContact CE2-CB 3.83Å; F68-A86 HydrophobicContact CZ-CB 3.74Å; F68-C88 HydrophobicContact CB-CB 4.26Å; F68-C88 VanDerWaalsContact CB-SG 3.6Å; F68-C88 HydrophobicContact CD1-CB 3.9Å; F68-C88 WeakPolarHBondContact CD2-SG 3.47Å; F68-C88 HydrophobicContact CE1-CB 4.44Å; F68-C88 HydrophobicContact CG-CB 4.01Å; F68-C88 WeakPolarHBondContact CG-SG 3.06Å
69	Q	98.1	Very high	94.5	Very high	74 Å²	74	74.3 Å²	74.3	35%	0.346	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	108.6	160.2	-172.7	-177.2	19.8	0	0	107.6	S49 Y50 E71 N72 F74	S49-Q69 CarbonylContact O-C 3.39Å; S49-Q69 WeakPolarHBondContact O-CA 3.29Å; Y50-Q69 HydrophobicContact CD1-CB 4.01Å; Y50-Q69 HydrophobicContact CD1-CG 4.23Å; Y50-Q69 HydrophobicContact CE1-CB 3.74Å; Y50-Q69 HydrophobicContact CE1-CG 3.73Å; Y50-Q69 HydrophobicContact CE2-CG 4.45Å; Y50-Q69 PolarHBondContact OH-NE2 3.43Å; Y50-Q69 VanDerWaalsContact OH-NE2 3.13Å; Q69-E71 PolarHBondContact O-N 3.23Å; Q69-N72 PolarHBondContact N-O 2.76Å; Q69-N72 PolarHBondContact O-N 3.41Å; Q69-F74 HydrophobicContact CB-CB 4.26Å; Q69-F74 HydrophobicContact CB-CD2 4.28Å
70	N	96.2	Very high	95.4	Very high	89 Å²	89	66.8 Å²	66.8	48%	0.476	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-116.7	-165.6	-53.2	-59.7	0	0	0	110.3	S49 C88	S49-N70 WeakPolarHBondContact CB-OD1 2.99Å; S49-N70 PolarHBondContact O-N 3Å; N70-C88 VanDerWaalsContact O-CB 3.3Å; N70-C88 WeakPolarHBondContact O-CB 3.38Å
71	E	96.8	Very high	96.4	Very high	96 Å²	96	66.1 Å²	66.1	45%	0.449	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.1	179.2	-51.3	86.1	167.9	0	0	113.3	Q69 P90	Q69-E71 PolarHBondContact O-N 3.23Å; E71-P90 HydrophobicContact CG-CG 3.83Å; E71-P90 WeakPolarHBondContact OE1-CG 3.32Å
72	N	98.1	Very high	96.7	Very high	108 Å²	108	69 Å²	69	58%	0.578	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.1	-171.7	-59.1	-63.7	0	0	0	111.1	F68 Q69 F74	F68-N72 CarbonylContact C-O 3.47Å; F68-N72 WeakPolarHBondContact CA-O 3.36Å; Q69-N72 PolarHBondContact N-O 2.76Å; Q69-N72 PolarHBondContact O-N 3.41Å; N72-F74 PolarHBondContact O-N 3.27Å
73	V	98.3	Very high	96.9	Very high	70 Å²	70	65.3 Å²	65.3	42%	0.424	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	120.6	169.1	177.8	0	0	0	0	108.1	I66 F68 E76	I66-V73 HydrophobicContact CD1-CG1 4Å; I66-V73 HydrophobicContact CD1-CG2 4.21Å; I66-V73 HydrophobicContact CG1-CG1 4.31Å; F68-V73 HydrophobicContact CD1-CG2 4.18Å; F68-V73 HydrophobicContact CE1-CG2 3.64Å; F68-V73 HydrophobicContact CZ-CG2 4.26Å; V73-E76 HydrophobicContact CG1-CB 3.78Å; V73-E76 HydrophobicContact CG1-CG 3.76Å
74	F	98.1	Very high	97	Very high	126 Å²	126	62 Å²	62	55%	0.553	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	-47.6	179.2	-178.6	-98.4	0	0	0	111	Y50 S67 Q69 N72	Y50-F74 HydrophobicContact CE1-CD2 4.21Å; Y50-F74 HydrophobicContact CE1-CE2 4.35Å; Y50-F74 HydrophobicContact CE1-CG 4.35Å; S67-F74 PolarHBondContact O-N 2.78Å; Q69-F74 HydrophobicContact CB-CB 4.26Å; Q69-F74 HydrophobicContact CB-CD2 4.28Å; N72-F74 PolarHBondContact O-N 3.27Å
75	D	98.4	Very high	97.1	Very high	56 Å²	56	61.3 Å²	61.3	30%	0.299	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	129.6	174.4	-178.3	-2.7	0	0	0	109.4	F64 I66 S67 T77	F64-D75 HydrophobicContact CE1-CB 4.17Å; F64-D75 HydrophobicContact CZ-CB 4.08Å; I66-D75 CarbonylContact C-O 3.55Å; I66-D75 VanDerWaalsContact CA-O 3.24Å; I66-D75 WeakPolarHBondContact CA-O 3.38Å; I66-D75 WeakPolarHBondContact CG1-O 3.14Å; S67-D75 PolarHBondContact N-O 2.78Å; S67-D75 PolarHBondContact O-N 3.45Å; S67-D75 WeakPolarHBondContact OG-CB 3.27Å; S67-D75 PolarHBondContact OG-N 2Å; D75-T77 VanDerWaalsContact OD1-CB 3.27Å; D75-T77 WeakPolarHBondContact OD1-CB 3.5Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.22Å; D75-T77 PolarHBondContact OD1-N 2.86Å; D75-T77 PolarHBondContact OD1-OG1 2.92Å; D75-T77 PolarHBondContact OD2-OG1 2.85Å
76	E	97.7	Very high	97.1	Very high	64 Å²	64	62 Å²	62	30%	0.299	32%	0.321	S	S	.	.			trans	-130.4	21.6	176.1	59	171	-176.3	0	0	112.5	I66 V73 G78 M79 K81	I66-E76 HydrophobicContact CB-CB 4.37Å; I66-E76 HydrophobicContact CD1-CB 3.76Å; I66-E76 HydrophobicContact CG1-CB 3.86Å; V73-E76 HydrophobicContact CG1-CB 3.78Å; V73-E76 HydrophobicContact CG1-CG 3.76Å; E76-G78 PolarHBondContact O-N 3Å; E76-M79 HydrophobicContact CB-CE 4.26Å; E76-M79 PolarHBondContact O-N 3.07Å; E76-M79 WeakPolarHBondContact OE2-CE 3.44Å; E76-K81 VanDerWaalsContact CD-CE 3.44Å; E76-K81 WeakPolarHBondContact OE1-CE 3.49Å; E76-K81 IonicContact OE1-NZ 3.77Å; E76-K81 PolarHBondContact OE1-NZ 3.4Å; E76-K81 IonicContact OE2-NZ 3.42Å
77	T	97	Very high	97.1	Very high	122 Å²	122	68.3 Å²	68.3	75%	0.748	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.4	-176.8	51.4	0	0	0	0	113.3	D75	D75-T77 VanDerWaalsContact OD1-CB 3.27Å; D75-T77 WeakPolarHBondContact OD1-CB 3.5Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.22Å; D75-T77 PolarHBondContact OD1-N 2.86Å; D75-T77 PolarHBondContact OD1-OG1 2.92Å; D75-T77 PolarHBondContact OD2-OG1 2.85Å
78	G	96.3	Very high	97	Very high	15 Å²	15	68.6 Å²	68.6	16%	0.155	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.8	179.1	0	0	0	0	0	115.5	K63 F64 L65 E76	K63-G78 WeakPolarHBondContact CE-O 3.38Å; K63-G78 PolarHBondContact NZ-O 3.27Å; F64-G78 WeakPolarHBondContact O-CA 3.39Å; L65-G78 CarbonylContact O-C 3.57Å; L65-G78 PolarHBondContact O-N 2.81Å; E76-G78 PolarHBondContact O-N 3Å
79	M	96	Very high	96.8	Very high	18 Å²	18	73.5 Å²	73.5	9%	0.089	38%	0.376	C	S	.	.	S	Bend	trans	-86.7	126.8	-168.5	-172.2	169.9	66.1	0	0	112.9	L65 I66 E76 K81 F84 A86	L65-M79 WeakPolarHBondContact O-CB 3.13Å; L65-M79 PolarHBondContact O-N 3.39Å; I66-M79 HydrophobicContact CB-SD 4.24Å; I66-M79 HydrophobicContact CD1-CE 3.83Å; I66-M79 HydrophobicContact CD1-SD 4Å; I66-M79 HydrophobicContact CG2-SD 4.2Å; E76-M79 HydrophobicContact CB-CE 4.26Å; E76-M79 PolarHBondContact O-N 3.07Å; E76-M79 WeakPolarHBondContact OE2-CE 3.44Å; M79-K81 HydrophobicContact CE-CG 4.39Å; M79-K81 WeakPolarHBondContact O-CG 3.33Å; M79-K81 PolarHBondContact O-N 2.81Å; M79-F84 HydrophobicContact CG-CB 3.75Å; M79-F84 HydrophobicContact SD-CB 4.2Å; M79-A86 HydrophobicContact SD-CB 4.44Å
80	P	93.6	Very high	96.5	Very high	49 Å²	49	73.5 Å²	73.5	32%	0.318	38%	0.383	S	S	.	.			trans	-71.9	85.5	172.3	-16.4	31.3	0	0	0	112.8	E82 R83 F84	P80-E82 PolarHBondContact O-N 3.24Å; P80-R83 PolarHBondContact O-N 2.93Å; P80-F84 HydrophobicContact CB-CD2 3.98Å; P80-F84 HydrophobicContact CB-CE2 4.47Å; P80-F84 HydrophobicContact CG-CD2 4.18Å; P80-F84 HydrophobicContact CG-CE2 4.39Å; P80-F84 WeakPolarHBondContact O-CB 3.4Å; P80-F84 PolarHBondContact O-N 3.43Å
81	K	92.7	Very high	96.2	Very high	126 Å²	126	77.6 Å²	77.6	55%	0.548	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.3	-169.1	-56.2	-170.6	-174.6	-174.1	0	116.1	E76 M79 R83	E76-K81 VanDerWaalsContact CD-CE 3.44Å; E76-K81 WeakPolarHBondContact OE1-CE 3.49Å; E76-K81 IonicContact OE1-NZ 3.77Å; E76-K81 PolarHBondContact OE1-NZ 3.4Å; E76-K81 IonicContact OE2-NZ 3.42Å; M79-K81 HydrophobicContact CE-CG 4.39Å; M79-K81 WeakPolarHBondContact O-CG 3.33Å; M79-K81 PolarHBondContact O-N 2.81Å; K81-R83 VanDerWaalsContact C-N 3.32Å; K81-R83 PolarHBondContact O-N 3.29Å
82	E	94.8	Very high	96.1	Very high	191 Å²	191	75.9 Å²	75.9	89%	0.893	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-33.2	178.8	-65.5	-178.5	177.6	0	0	113	P80	P80-E82 PolarHBondContact O-N 3.24Å
83	R	96.3	Very high	96	Very high	33 Å²	33	73.9 Å²	73.9	13%	0.125	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-21.8	-175.1	-58.9	-172.3	-61.1	102.8	-2.5	113.5	P80 K81 I98 Q99 A100 E104 D105	P80-R83 PolarHBondContact O-N 2.93Å; K81-R83 VanDerWaalsContact C-N 3.32Å; K81-R83 PolarHBondContact O-N 3.29Å; R83-I98 WeakPolarHBondContact O-CA 3.36Å; R83-Q99 PolarHBondContact O-N 3.38Å; R83-A100 PolarHBondContact NH1-O 3.41Å; R83-E104 IonicContact NH2-OE1 2.64Å; R83-E104 PolarHBondContact NH2-OE1 2.9Å; R83-D105 IonicContact CZ-OD1 2.78Å; R83-D105 IonicContact CZ-OD2 2.68Å; R83-D105 IonicContact NH1-OD1 3.18Å; R83-D105 PolarHBondContact NH1-OD1 3.5Å; R83-D105 IonicContact NH1-OD2 2.77Å; R83-D105 PolarHBondContact NH1-OD2 2.85Å; R83-D105 IonicContact NH2-OD1 3.42Å; R83-D105 PolarHBondContact NH2-OD1 3.07Å; R83-D105 IonicContact NH2-OD2 3.52Å; R83-D105 PolarHBondContact NH2-OD2 3.22Å
84	F	98	Very high	96	Very high	7 Å²	7	70.8 Å²	70.8	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	143.2	-178.2	-72.9	-116.2	0	0	0	110.5	M79 P80 L96 E97 I98 D105 Y109	M79-F84 HydrophobicContact CG-CB 3.75Å; M79-F84 HydrophobicContact SD-CB 4.2Å; P80-F84 HydrophobicContact CB-CD2 3.98Å; P80-F84 HydrophobicContact CB-CE2 4.47Å; P80-F84 HydrophobicContact CG-CD2 4.18Å; P80-F84 HydrophobicContact CG-CE2 4.39Å; P80-F84 WeakPolarHBondContact O-CB 3.4Å; P80-F84 PolarHBondContact O-N 3.43Å; F84-L96 HydrophobicContact CD1-CD1 4.3Å; F84-E97 CarbonylContact C-O 3.59Å; F84-E97 WeakPolarHBondContact CA-O 3.24Å; F84-I98 HydrophobicContact CD1-CD1 4.45Å; F84-I98 HydrophobicContact CD1-CG1 3.91Å; F84-I98 HydrophobicContact CD2-CG2 4.39Å; F84-I98 HydrophobicContact CE1-CD1 3.6Å; F84-I98 HydrophobicContact CE1-CG1 3.54Å; F84-I98 HydrophobicContact CE2-CD1 4.42Å; F84-I98 HydrophobicContact CE2-CG1 4.3Å; F84-I98 HydrophobicContact CE2-CG2 4.01Å; F84-I98 HydrophobicContact CG-CG1 4.44Å; F84-I98 HydrophobicContact CZ-CD1 3.57Å; F84-I98 HydrophobicContact CZ-CG1 3.76Å; F84-I98 HydrophobicContact CZ-CG2 4.2Å; F84-D105 WeakPolarHBondContact CZ-OD1 3.45Å; F84-Y109 HydrophobicContact CE1-CE1 4.07Å
85	S	98.1	Very high	96	Very high	36 Å²	36	65.4 Å²	65.4	25%	0.252	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.7	172.1	57.3	0	0	0	0	108.9	E97	S85-E97 PolarHBondContact N-O 3.21Å; S85-E97 PolarHBondContact O-N 3.01Å; S85-E97 PolarHBondContact OG-O 3.26Å
86	A	98.4	Very high	96.1	Very high	15 Å²	15	62.8 Å²	62.8	12%	0.124	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.5	174.3	0	0	0	0	0	110.2	I66 F68 M79 S95 L96	I66-A86 HydrophobicContact CD1-CB 4.21Å; I66-A86 HydrophobicContact CG2-CB 3.92Å; F68-A86 HydrophobicContact CE2-CB 3.83Å; F68-A86 HydrophobicContact CZ-CB 3.74Å; M79-A86 HydrophobicContact SD-CB 4.44Å; A86-S95 CarbonylContact C-O 3.49Å; A86-S95 WeakPolarHBondContact CA-O 3.48Å; A86-S95 WeakPolarHBondContact CB-O 3.38Å; A86-L96 HydrophobicContact CB-CD1 3.98Å
87	K	98	Very high	96.1	Very high	132 Å²	132	61.2 Å²	61.2	57%	0.574	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.4	-178.6	-62.2	-175.8	-178.9	-178.5	0	110.6	C94 S95	K87-C94 CarbonylContact O-C 3.56Å; K87-C94 VanDerWaalsContact O-CA 3.3Å; K87-C94 WeakPolarHBondContact O-CA 3.39Å; K87-S95 PolarHBondContact N-O 3.48Å; K87-S95 PolarHBondContact O-N 3.26Å; K87-S95 PolarHBondContact O-OG 3.45Å
88	C	98	Very high	96.2	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.061	30%	0.301	C	S	.	.			trans	-112.1	125.7	163.9	-69.3	0	0	0	0	108.3	F68 N70 C94	F68-C88 HydrophobicContact CB-CB 4.26Å; F68-C88 VanDerWaalsContact CB-SG 3.6Å; F68-C88 HydrophobicContact CD1-CB 3.9Å; F68-C88 WeakPolarHBondContact CD2-SG 3.47Å; F68-C88 HydrophobicContact CE1-CB 4.44Å; F68-C88 HydrophobicContact CG-CB 4.01Å; F68-C88 WeakPolarHBondContact CG-SG 3.06Å; N70-C88 VanDerWaalsContact O-CB 3.3Å; N70-C88 WeakPolarHBondContact O-CB 3.38Å; C88-C94 HydrophobicContact CB-CB 4.16Å; C88-C94 WeakPolarHBondContact CB-SG 3.43Å; C88-C94 WeakPolarHBondContact SG-CB 3.15Å; C88-C94 CovalentContact SG-SG 2.03Å; C88-C94 PolarHBondContact SG-SG 2.64Å
89	L	94.8	Very high	96.2	Very high	107 Å²	107	58.4 Å²	58.4	56%	0.56	31%	0.309	S	S	*	.			trans	-115	151.3	177.9	-65.7	176.3	0	0	0	109.3	N91 S92	L89-N91 PolarHBondContact O-N 3.06Å; L89-S92 PolarHBondContact O-N 3.4Å
90	P	91.9	Very high	96.3	Very high	74 Å²	74	59.4 Å²	59.4	48%	0.481	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	138	176.9	-19	27.8	0	0	0	111.2	E71 S92	E71-P90 HydrophobicContact CG-CG 3.83Å; E71-P90 WeakPolarHBondContact OE1-CG 3.32Å; P90-S92 PolarHBondContact O-N 3.35Å; P90-S92 PolarHBondContact O-OG 3.37Å
91	N	89.1	Confident	96.5	Very high	176 Å²	176	57.8 Å²	57.8	94%	0.941	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	22.2	177.2	-53.1	-53	0	0	0	114.6	L89	L89-N91 PolarHBondContact O-N 3.06Å
92	S	93.9	Very high	96.7	Very high	60 Å²	60	56.7 Å²	56.7	42%	0.42	30%	0.304	S	S	.	.	S	Bend	trans	-133.3	148.5	-179.3	-58.5	0	0	0	0	110.2	L89 P90 C94	L89-S92 PolarHBondContact O-N 3.4Å; P90-S92 PolarHBondContact O-N 3.35Å; P90-S92 PolarHBondContact O-OG 3.37Å; S92-C94 PolarHBondContact O-N 3.15Å
93	P	97	Very high	96.6	Very high	65 Å²	65	53.8 Å²	53.8	42%	0.422	29%	0.294	S	S	.	.			trans	-56.8	138.3	171.4	-24	34.2	0	0	0	111	C42 A43	C42-P93 CarbonylContact O-C 3.44Å; C42-P93 WeakPolarHBondContact O-CA 3.3Å; A43-P93 HydrophobicContact CB-CB 4.42Å; A43-P93 HydrophobicContact CB-CG 4.43Å
94	C	98.4	Very high	96.5	Very high	5 Å²	5	58 Å²	58	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	148.3	166.7	-64.8	0	0	0	0	109.8	Y41 C42 V51 K87 C88 S92	Y41-C94 CarbonylContact C-O 3.49Å; Y41-C94 VanDerWaalsContact CA-O 3.27Å; Y41-C94 WeakPolarHBondContact CA-O 3.38Å; C42-C94 PolarHBondContact N-O 2.74Å; C42-C94 PolarHBondContact O-N 3.34Å; V51-C94 HydrophobicContact CG1-CB 4Å; K87-C94 CarbonylContact O-C 3.56Å; K87-C94 VanDerWaalsContact O-CA 3.3Å; K87-C94 WeakPolarHBondContact O-CA 3.39Å; C88-C94 HydrophobicContact CB-CB 4.16Å; C88-C94 WeakPolarHBondContact CB-SG 3.43Å; C88-C94 WeakPolarHBondContact SG-CB 3.15Å; C88-C94 CovalentContact SG-SG 2.03Å; C88-C94 PolarHBondContact SG-SG 2.64Å; S92-C94 PolarHBondContact O-N 3.15Å
95	S	98.5	Very high	96.3	Very high	13 Å²	13	58.2 Å²	58.2	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.5	-179	61	0	0	0	0	111.7	L40 A86 K87	L40-S95 CarbonylContact O-C 3.58Å; L40-S95 VanDerWaalsContact O-CA 3.24Å; L40-S95 WeakPolarHBondContact O-CA 3.22Å; A86-S95 CarbonylContact C-O 3.49Å; A86-S95 WeakPolarHBondContact CA-O 3.48Å; A86-S95 WeakPolarHBondContact CB-O 3.38Å; K87-S95 PolarHBondContact N-O 3.48Å; K87-S95 PolarHBondContact O-N 3.26Å; K87-S95 PolarHBondContact O-OG 3.45Å
96	L	98.7	Very high	96.2	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.8	168.1	178.8	68.5	0	0	0	107.5	K39 L40 W53 L65 F84 A86 Y109	K39-L96 WeakPolarHBondContact CA-O 3.41Å; L40-L96 HydrophobicContact CD1-CD2 4.49Å; L40-L96 PolarHBondContact N-O 2.79Å; L40-L96 PolarHBondContact O-N 3.18Å; W53-L96 HydrophobicContact CB-CD2 4.43Å; W53-L96 HydrophobicContact CD2-CB 3.82Å; W53-L96 HydrophobicContact CD2-CD2 3.98Å; W53-L96 HydrophobicContact CD2-CG 4.43Å; W53-L96 HydrophobicContact CE3-CB 4.05Å; W53-L96 HydrophobicContact CE3-CD2 3.72Å; W53-L96 HydrophobicContact CG-CB 4.35Å; W53-L96 HydrophobicContact CG-CD2 4.31Å; W53-L96 HydrophobicContact CH2-CB 4.12Å; W53-L96 HydrophobicContact CZ2-CB 3.89Å; W53-L96 HydrophobicContact CZ3-CB 4.19Å; W53-L96 HydrophobicContact CZ3-CD2 4.25Å; L65-L96 HydrophobicContact CD1-CD1 4.43Å; L65-L96 HydrophobicContact CD1-CD2 3.84Å; F84-L96 HydrophobicContact CD1-CD1 4.3Å; A86-L96 HydrophobicContact CB-CD1 3.98Å; L96-Y109 HydrophobicContact CD2-CD1 3.65Å; L96-Y109 HydrophobicContact CD2-CE1 4.13Å; L96-Y109 HydrophobicContact CD2-CG 4.49Å
97	E	98.5	Very high	96.1	Very high	30 Å²	30	61.1 Å²	61.1	14%	0.14	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.5	-174.8	-171.4	175.7	159.7	0	0	111.2	A38 K39 F84 S85 Q99	A38-E97 CarbonylContact O-C 3.55Å; A38-E97 VanDerWaalsContact O-CA 3.3Å; A38-E97 WeakPolarHBondContact O-CA 3.21Å; K39-E97 HydrophobicContact CB-CG 4.24Å; K39-E97 HydrophobicContact CD-CB 4.36Å; K39-E97 HydrophobicContact CD-CG 4.22Å; K39-E97 WeakPolarHBondContact CD-OE2 3.34Å; K39-E97 WeakPolarHBondContact CE-OE2 3.43Å; K39-E97 HydrophobicContact CG-CB 4.16Å; K39-E97 HydrophobicContact CG-CG 4.26Å; K39-E97 IonicContact NZ-OE2 3.58Å; K39-E97 PolarHBondContact NZ-OE2 2.03Å; F84-E97 CarbonylContact C-O 3.59Å; F84-E97 WeakPolarHBondContact CA-O 3.24Å; S85-E97 PolarHBondContact N-O 3.21Å; S85-E97 PolarHBondContact O-N 3.01Å; S85-E97 PolarHBondContact OG-O 3.26Å; E97-Q99 PolarHBondContact OE1-NE2 3.45Å
98	I	98.3	Very high	96	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.046	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.8	172.2	-47	177.7	0	0	0	106.8	K37 A38 R83 F84 T101 D105 Y109	K37-I98 WeakPolarHBondContact CA-O 3.21Å; A38-I98 HydrophobicContact CB-CB 4.26Å; A38-I98 HydrophobicContact CB-CD1 4.4Å; A38-I98 HydrophobicContact CB-CG1 4.47Å; A38-I98 PolarHBondContact N-O 2.85Å; A38-I98 PolarHBondContact O-N 2.87Å; R83-I98 WeakPolarHBondContact O-CA 3.36Å; F84-I98 HydrophobicContact CD1-CD1 4.45Å; F84-I98 HydrophobicContact CD1-CG1 3.91Å; F84-I98 HydrophobicContact CD2-CG2 4.39Å; F84-I98 HydrophobicContact CE1-CD1 3.6Å; F84-I98 HydrophobicContact CE1-CG1 3.54Å; F84-I98 HydrophobicContact CE2-CD1 4.42Å; F84-I98 HydrophobicContact CE2-CG1 4.3Å; F84-I98 HydrophobicContact CE2-CG2 4.01Å; F84-I98 HydrophobicContact CG-CG1 4.44Å; F84-I98 HydrophobicContact CZ-CD1 3.57Å; F84-I98 HydrophobicContact CZ-CG1 3.76Å; F84-I98 HydrophobicContact CZ-CG2 4.2Å; I98-T101 HydrophobicContact CB-CG2 4.3Å; I98-T101 HydrophobicContact CG2-CG2 4.15Å; I98-D105 HydrophobicContact CD1-CB 4.06Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.27Å
99	Q	97.6	Very high	95.9	Very high	70 Å²	70	59.7 Å²	59.7	33%	0.327	34%	0.337	S	S	.	.	S	Bend	trans	-72.2	-37.3	-174.2	-66.1	-59.3	-36.6	0	0	112.9	K37 R83 E97	K37-Q99 WeakPolarHBondContact CG-O 3.1Å; R83-Q99 PolarHBondContact O-N 3.38Å; E97-Q99 PolarHBondContact OE1-NE2 3.45Å
100	A	97.2	Very high	96.1	Very high	39 Å²	39	58.4 Å²	58.4	32%	0.322	33%	0.327	S	S	.	.	S	Bend	trans	-139.2	104.1	175.5	0	0	0	0	0	108.5	R83	R83-A100 PolarHBondContact NH1-O 3.41Å
101	T	97.7	Very high	96.3	Very high	15 Å²	15	55.7 Å²	55.7	9%	0.092	31%	0.309	C	S	.	.			trans	-66.4	146.4	179.3	45.3	0	0	0	0	112.2	R32 G33 E34 G35 Q36 A38 I98 D105	R32-T101 HydrophobicContact CB-CG2 4.33Å; G33-T101 PolarHBondContact O-OG1 2.93Å; E34-T101 WeakPolarHBondContact CA-O 3.3Å; G35-T101 PolarHBondContact N-O 2.83Å; G35-T101 PolarHBondContact N-OG1 2.79Å; Q36-T101 PolarHBondContact N-OG1 2.79Å; Q36-T101 WeakPolarHBondContact O-CG2 3.31Å; Q36-T101 PolarHBondContact O-N 2.75Å; Q36-T101 PolarHBondContact O-OG1 2.86Å; A38-T101 HydrophobicContact CB-CG2 3.63Å; I98-T101 HydrophobicContact CB-CG2 4.3Å; I98-T101 HydrophobicContact CG2-CG2 4.15Å; T101-D105 WeakPolarHBondContact CA-OD2 3.08Å
102	K	96.7	Very high	96.8	Very high	103 Å²	103	49 Å²	49	45%	0.448	28%	0.279	S	S	.	.			trans	-125.4	161	169.6	-66.8	179.6	-178.1	-179.8	0	109.3	E104 D105	K102-E104 HydrophobicContact CB-CG 3.81Å; K102-E104 HydrophobicContact CD-CG 4.24Å; K102-E104 WeakPolarHBondContact CD-OE1 3.48Å; K102-E104 IonicContact NZ-OE1 3.5Å; K102-E104 PolarHBondContact O-N 2.92Å; K102-E104 VanDerWaalsContact O-N 3.16Å; K102-D105 PolarHBondContact N-OD2 3.4Å; K102-D105 WeakPolarHBondContact O-CB 3.33Å; K102-D105 PolarHBondContact O-N 3.04Å
103	L	94.2	Very high	96.9	Very high	129 Å²	129	47 Å²	47	68%	0.675	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-51.7	-38.7	175.2	-172.4	61.3	0	0	0	113.2	E34 D105 S106	E34-L103 WeakPolarHBondContact OE1-CB 3.28Å; E34-L103 PolarHBondContact OE1-N 2.81Å; L103-D105 PolarHBondContact O-N 3.08Å; L103-S106 WeakPolarHBondContact O-CB 3.41Å; L103-S106 PolarHBondContact O-N 3.22Å; L103-S106 VanDerWaalsContact O-N 3.1Å; L103-S106 PolarHBondContact O-OG 3.49Å
104	E	92.7	Very high	97	Very high	122 Å²	122	46.1 Å²	46.1	57%	0.57	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-61.3	-20.6	177.5	67.6	-174.1	-172.9	0	0	114.4	R83 K102 S106	R83-E104 IonicContact NH2-OE1 2.64Å; R83-E104 PolarHBondContact NH2-OE1 2.9Å; K102-E104 HydrophobicContact CB-CG 3.81Å; K102-E104 HydrophobicContact CD-CG 4.24Å; K102-E104 WeakPolarHBondContact CD-OE1 3.48Å; K102-E104 IonicContact NZ-OE1 3.5Å; K102-E104 PolarHBondContact O-N 2.92Å; K102-E104 VanDerWaalsContact O-N 3.16Å; E104-S106 PolarHBondContact O-N 3.06Å
105	D	94.9	Very high	96.8	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.064	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-80.3	-6.4	178	-56.7	-39.2	0	0	0	112.5	R83 F84 I98 T101 K102 L103 A107 Y109	R83-D105 IonicContact CZ-OD1 2.78Å; R83-D105 IonicContact CZ-OD2 2.68Å; R83-D105 IonicContact NH1-OD1 3.18Å; R83-D105 PolarHBondContact NH1-OD1 3.5Å; R83-D105 IonicContact NH1-OD2 2.77Å; R83-D105 PolarHBondContact NH1-OD2 2.85Å; R83-D105 IonicContact NH2-OD1 3.42Å; R83-D105 PolarHBondContact NH2-OD1 3.07Å; R83-D105 IonicContact NH2-OD2 3.52Å; R83-D105 PolarHBondContact NH2-OD2 3.22Å; F84-D105 WeakPolarHBondContact CZ-OD1 3.45Å; I98-D105 HydrophobicContact CD1-CB 4.06Å; T101-D105 WeakPolarHBondContact CA-OD2 3.08Å; K102-D105 PolarHBondContact N-OD2 3.4Å; K102-D105 WeakPolarHBondContact O-CB 3.33Å; K102-D105 PolarHBondContact O-N 3.04Å; L103-D105 PolarHBondContact O-N 3.08Å; D105-A107 PolarHBondContact O-N 3.28Å; D105-Y109 WeakPolarHBondContact O-CE2 3.19Å; D105-Y109 PolarHBondContact O-OH 2.85Å
106	S	95.2	Very high	96.7	Very high	80 Å²	80	56.5 Å²	56.5	56%	0.559	31%	0.309	S	S	*	.			trans	-67.2	101.5	178.5	-57.4	0	0	0	0	110.1	L103 E104	L103-S106 WeakPolarHBondContact O-CB 3.41Å; L103-S106 PolarHBondContact O-N 3.22Å; L103-S106 VanDerWaalsContact O-N 3.1Å; L103-S106 PolarHBondContact O-OG 3.49Å; E104-S106 PolarHBondContact O-N 3.06Å
107	A	95.8	Very high	96.6	Very high	32 Å²	32	59.4 Å²	59.4	26%	0.264	33%	0.325	S	S	.	.	S	Bend	trans	-156.4	168.6	-171.4	0	0	0	0	0	111.1	Q55 Q56 V57 D105 Y109	Q55-A107 HydrophobicContact CG-CB 3.61Å; Q56-A107 WeakPolarHBondContact O-CB 3.13Å; V57-A107 HydrophobicContact CG2-CB 4.15Å; D105-A107 PolarHBondContact O-N 3.28Å; A107-Y109 HydrophobicContact CB-CD2 4.45Å; A107-Y109 HydrophobicContact CB-CE2 3.94Å
108	V	96.3	Very high	96.5	Very high	82 Å²	82	61 Å²	61	50%	0.497	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.2	161.9	-174.8	0	0	0	0	107.9	Q56 F110	Q56-V108 PolarHBondContact N-O 3.24Å; Q56-V108 PolarHBondContact O-N 3.03Å; V108-F110 HydrophobicContact CB-CE2 3.83Å; V108-F110 HydrophobicContact CB-CZ 4.17Å; V108-F110 HydrophobicContact CG1-CD1 4.49Å; V108-F110 HydrophobicContact CG1-CD2 4Å; V108-F110 HydrophobicContact CG1-CE1 3.98Å; V108-F110 HydrophobicContact CG1-CE2 3.41Å; V108-F110 VanDerWaalsContact CG1-CE2 3.41Å; V108-F110 HydrophobicContact CG1-CZ 3.41Å; V108-F110 VanDerWaalsContact CG1-CZ 3.41Å
109	Y	97.4	Very high	96.4	Very high	29 Å²	29	64.1 Å²	64.1	11%	0.114	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.8	176.2	-70	-94.4	0	0	0	108.9	Q25 L40 Y54 Q55 L65 F84 L96 I98 D105 A107	Q25-Y109 PolarHBondContact NE2-O 3.27Å; L40-Y109 VanDerWaalsContact CD1-CB 3.46Å; L40-Y109 HydrophobicContact CD1-CD1 4.33Å; L40-Y109 HydrophobicContact CD1-CD2 3.94Å; L40-Y109 HydrophobicContact CD1-CG 3.65Å; Y54-Y109 CarbonylContact O-C 3.38Å; Y54-Y109 WeakPolarHBondContact O-CA 3.2Å; Q55-Y109 HydrophobicContact CB-CD1 4.25Å; Q55-Y109 HydrophobicContact CB-CE1 4.07Å; Q55-Y109 HydrophobicContact CG-CD1 4.29Å; Q55-Y109 HydrophobicContact CG-CE1 3.8Å; Q55-Y109 PolarHBondContact NE2-OH 2.92Å; L65-Y109 HydrophobicContact CD1-CD1 4.11Å; L65-Y109 HydrophobicContact CD1-CE1 4.11Å; F84-Y109 HydrophobicContact CE1-CE1 4.07Å; L96-Y109 HydrophobicContact CD2-CD1 3.65Å; L96-Y109 HydrophobicContact CD2-CE1 4.13Å; L96-Y109 HydrophobicContact CD2-CG 4.49Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.27Å; D105-Y109 WeakPolarHBondContact O-CE2 3.19Å; D105-Y109 PolarHBondContact O-OH 2.85Å; A107-Y109 HydrophobicContact CB-CD2 4.45Å; A107-Y109 HydrophobicContact CB-CE2 3.94Å
110	F	97.1	Very high	96.3	Very high	80 Å²	80	63.7 Å²	63.7	35%	0.351	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.3	179.9	-64.5	-87.4	0	0	0	110.3	W53 Y54 Q56 F62 V108	W53-F110 WeakPolarHBondContact CA-O 3.49Å; Y54-F110 PolarHBondContact N-O 2.74Å; Y54-F110 PolarHBondContact O-N 2.82Å; Q56-F110 HydrophobicContact CB-CD2 4.22Å; Q56-F110 HydrophobicContact CB-CE2 3.72Å; F62-F110 HydrophobicContact CD2-CD2 4.45Å; F62-F110 AromaticContact CE2-CD2 3.61Å; F62-F110 HydrophobicContact CE2-CD2 3.61Å; F62-F110 HydrophobicContact CE2-CE2 4.04Å; F62-F110 HydrophobicContact CE2-CG 4.22Å; F62-F110 HydrophobicContact CZ-CD2 4.42Å; V108-F110 HydrophobicContact CB-CE2 3.83Å; V108-F110 HydrophobicContact CB-CZ 4.17Å; V108-F110 HydrophobicContact CG1-CD1 4.49Å; V108-F110 HydrophobicContact CG1-CD2 4Å; V108-F110 HydrophobicContact CG1-CE1 3.98Å; V108-F110 HydrophobicContact CG1-CE2 3.41Å; V108-F110 VanDerWaalsContact CG1-CE2 3.41Å; V108-F110 HydrophobicContact CG1-CZ 3.41Å; V108-F110 VanDerWaalsContact CG1-CZ 3.41Å
111	C	98.1	Very high	96.3	Very high	16 Å²	16	65.3 Å²	65.3	11%	0.108	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.5	165.3	-170	0	0	0	0	110.9	V23 Q25 C42 F52 W53	V23-C111 HydrophobicContact CG1-CB 4.18Å; Q25-C111 VanDerWaalsContact CD-CB 3.48Å; Q25-C111 HydrophobicContact CG-CB 3.68Å; C42-C111 HydrophobicContact CB-CB 3.52Å; C42-C111 WeakPolarHBondContact CB-SG 3.5Å; C42-C111 WeakPolarHBondContact SG-CB 3.23Å; C42-C111 CovalentContact SG-SG 2Å; C42-C111 PolarHBondContact SG-SG 3.13Å; F52-C111 VanDerWaalsContact O-CA 3.27Å; F52-C111 WeakPolarHBondContact O-CA 3.44Å; F52-C111 PolarHBondContact O-SG 3.25Å; F52-C111 VanDerWaalsContact O-SG 3.4Å; W53-C111 HydrophobicContact CD2-CB 4.4Å; W53-C111 HydrophobicContact CE3-CB 4.1Å; W53-C111 HydrophobicContact CH2-CB 4.22Å; W53-C111 HydrophobicContact CZ2-CB 4.49Å; W53-C111 HydrophobicContact CZ3-CB 4.01Å
112	A	98	Very high	96.2	Very high	37 Å²	37	68.9 Å²	68.9	31%	0.306	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.5	170.7	0	0	0	0	0	110.4	V51 F52 Y54	V51-A112 WeakPolarHBondContact CA-O 3.46Å; F52-A112 HydrophobicContact CB-CB 4.43Å; F52-A112 HydrophobicContact CD2-CB 4.36Å; F52-A112 PolarHBondContact N-O 2.68Å; F52-A112 PolarHBondContact O-N 3.41Å; Y54-A112 HydrophobicContact CE2-CB 4.32Å
113	S	97.7	Very high	96.1	Very high	18 Å²	18	66.3 Å²	66.3	13%	0.126	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.3	173.5	64.6	0	0	0	0	111.7	V23 P44 I45 H48 Y50	V23-S113 WeakPolarHBondContact CG2-OG 3.39Å; P44-S113 VanDerWaalsContact CB-CB 3.48Å; I45-S113 PolarHBondContact N-OG 3.5Å; H48-S113 PolarHBondContact CE1-O 3.48Å; H48-S113 WeakPolarHBondContact ND1-CB 3.38Å; H48-S113 PolarHBondContact ND1-O 3.35Å; H48-S113 PolarHBondContact ND1-OG 2.58Å; Y50-S113 CarbonylContact O-C 3.47Å; Y50-S113 WeakPolarHBondContact O-CA 3.32Å; Y50-S113 WeakPolarHBondContact O-CB 3.36Å
114	S	97.5	Very high	96.3	Very high	45 Å²	45	61.1 Å²	61.1	32%	0.315	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.2	174.2	66.5	0	0	0	0	112	H48 S49 Y50	H48-S114 CarbonylContact C-O 3.52Å; H48-S114 VanDerWaalsContact CA-O 3.27Å; H48-S114 WeakPolarHBondContact CA-O 3.27Å; H48-S114 VanDerWaalsContact CB-O 3.24Å; H48-S114 WeakPolarHBondContact CB-O 3.24Å; H48-S114 VanDerWaalsContact CG-C 3.43Å; H48-S114 VanDerWaalsContact ND1-CA 3.33Å; H48-S114 WeakPolarHBondContact ND1-CA 3.4Å; H48-S114 PolarHBondContact ND1-N 2.89Å; S49-S114 PolarHBondContact N-O 2.88Å; Y50-S114 PolarHBondContact N-O 2.95Å; Y50-S114 PolarHBondContact O-N 3.34Å; Y50-S114 VanDerWaalsContact O-N 3.08Å
115	Q	94.8	Very high	96.6	Very high	180 Å²	180	55.5 Å²	55.5	84%	0.841	32%	0.322	S	S	*	.			trans	-59.5	0	169.2	-71.5	178.2	78.5	0	0	111.8	S49 Y50	S49-Q115 WeakPolarHBondContact CB-OXT 3.37Å; S49-Q115 PolarHBondContact OG-OXT 3.13Å; Y50-Q115 WeakPolarHBondContact CD2-O 3.47Å

Retrieved 115 of 115 residues in 83.3 ms (Link to these results)

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