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T cell receptor alpha variable 9-2

V region of the variable domain of T cell receptor (TR) alpha 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 A0A087WT02, Species HUMAN (Homo sapiens, Human), Gene TRAV9-2, Length 112 aa.

						>TVA92_HUMAN|A0A087WT02|TRAV9-2
MNYSPGLVSLILLLLGRTRGDSVTQMEGPVTLSEEAFLTINCTYTATGYPSLFWYVQYPGEGLQLLLKATKADDKGSNKGFEATYRKETTSFHLEKGSVQVSDSAVYFCALS
					

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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	50	Low	69.5	Low	199 Å²	199	105.1 Å²	105.1	98%	0.98	59%	0.587	S	S	*	*				0	108.9	0	-86.2	128.8	71.1	0	0	108	Y3	M1-Y3 PolarHBondContact O-N 2.76Å
2	N	66.1	Low	69.4	Low	174 Å²	174	106.4 Å²	106.4	93%	0.93	59%	0.591	S	S	*	*			trans	-85.7	108.2	178.8	-68.5	-15.6	0	0	0	108	S4	N2-S4 PolarHBondContact O-N 3.19Å
3	Y	70.7	Confident	69.3	Low	160 Å²	160	108.8 Å²	108.8	63%	0.627	60%	0.601	S	S	*	*			trans	-72.3	126.1	172	-66.4	-77.9	0	0	0	108.9	M1	M1-Y3 PolarHBondContact O-N 2.76Å
4	S	75.2	Confident	69.2	Low	72 Å²	72	110.1 Å²	110.1	50%	0.503	61%	0.606	S	S	.	*			trans	-67.4	133.1	172.9	176.4	0	0	0	0	109.2	N2 G6 L7 V8	N2-S4 PolarHBondContact O-N 3.19Å; S4-G6 PolarHBondContact O-N 3.09Å; S4-G6 VanDerWaalsContact O-N 3.15Å; S4-L7 WeakPolarHBondContact O-CA 3.27Å; S4-L7 WeakPolarHBondContact O-CB 3.37Å; S4-L7 PolarHBondContact O-N 2.85Å; S4-V8 PolarHBondContact O-N 3.01Å
5	P	70.9	Confident	68.9	Low	101 Å²	101	111.8 Å²	111.8	66%	0.656	61%	0.612	S	S	*	*	H	α-helix	trans	-56.2	-33.3	-179.9	19.7	-30.6	0	0	0	112.4	L7 V8 S9	P5-L7 VanDerWaalsContact C-N 3.31Å; P5-L7 PolarHBondContact O-N 3.08Å; P5-V8 PolarHBondContact O-N 3.22Å; P5-S9 PolarHBondContact O-N 2.92Å; P5-S9 PolarHBondContact O-OG 3.2Å
6	G	74.3	Confident	68.6	Low	47 Å²	47	108.1 Å²	108.1	49%	0.485	61%	0.608	S	S	.	*	H	α-helix	trans	-64.4	-33.5	174.9	0	0	0	0	0	113.6	S4 L10	S4-G6 PolarHBondContact O-N 3.09Å; S4-G6 VanDerWaalsContact O-N 3.15Å; G6-L10 WeakPolarHBondContact O-CB 3.48Å; G6-L10 PolarHBondContact O-N 2.88Å
7	L	71.6	Confident	68.3	Low	94 Å²	94	115.3 Å²	115.3	49%	0.492	62%	0.623	S	S	.	*	H	α-helix	trans	-72.9	-37.8	176.9	-153.4	118.7	0	0	0	110.8	S4 P5 L10 I11	S4-L7 WeakPolarHBondContact O-CA 3.27Å; S4-L7 WeakPolarHBondContact O-CB 3.37Å; S4-L7 PolarHBondContact O-N 2.85Å; P5-L7 VanDerWaalsContact C-N 3.31Å; P5-L7 PolarHBondContact O-N 3.08Å; L7-L10 PolarHBondContact O-N 3.29Å; L7-I11 HydrophobicContact CD2-CD1 3.8Å; L7-I11 HydrophobicContact CG-CD1 4.49Å; L7-I11 WeakPolarHBondContact O-CB 3.27Å; L7-I11 WeakPolarHBondContact O-CD1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 2.89Å
8	V	73.9	Confident	68.1	Low	65 Å²	65	116.3 Å²	116.3	39%	0.394	63%	0.634	S	S	.	*	H	α-helix	trans	-64.7	-45.8	173.8	-178.8	0	0	0	0	110.9	S4 P5 L10 I11 L12	S4-V8 PolarHBondContact O-N 3.01Å; P5-V8 PolarHBondContact O-N 3.22Å; V8-L10 PolarHBondContact O-N 2.98Å; V8-I11 PolarHBondContact O-N 2.83Å; V8-L12 HydrophobicContact CG1-CD1 4.27Å; V8-L12 WeakPolarHBondContact O-CG 3.49Å; V8-L12 PolarHBondContact O-N 3.02Å
9	S	69.2	Low	68.3	Low	68 Å²	68	122.3 Å²	122.3	48%	0.476	65%	0.647	S	S	.	*	H	α-helix	trans	-62.3	-40.7	175.9	-62.8	0	0	0	0	112.7	P5 L12 L13	P5-S9 PolarHBondContact O-N 2.92Å; P5-S9 PolarHBondContact O-OG 3.2Å; S9-L12 PolarHBondContact O-N 3.16Å; S9-L13 WeakPolarHBondContact O-CG 3.43Å; S9-L13 PolarHBondContact O-N 3.38Å; S9-L13 VanDerWaalsContact O-N 3.14Å
10	L	73.3	Confident	69.1	Low	100 Å²	100	118.8 Å²	118.8	52%	0.524	64%	0.641	S	S	.	*	H	α-helix	trans	-65.3	-41.7	175.5	-176.5	62.9	0	0	0	111.9	G6 L7 V8 L13 L14	G6-L10 WeakPolarHBondContact O-CB 3.48Å; G6-L10 PolarHBondContact O-N 2.88Å; L7-L10 PolarHBondContact O-N 3.29Å; V8-L10 PolarHBondContact O-N 2.98Å; L10-L13 PolarHBondContact O-N 3.01Å; L10-L14 HydrophobicContact CG-CD1 4.27Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.1Å; L10-L14 PolarHBondContact O-N 3.33Å; L10-L14 VanDerWaalsContact O-N 3.08Å
11	I	69.2	Low	70.3	Confident	76 Å²	76	116.3 Å²	116.3	39%	0.39	63%	0.627	S	S	.	*	H	α-helix	trans	-60.4	-46.9	175.3	-72.5	165.7	0	0	0	110.5	L7 V8 L13 L14 L15	L7-I11 HydrophobicContact CD2-CD1 3.8Å; L7-I11 HydrophobicContact CG-CD1 4.49Å; L7-I11 WeakPolarHBondContact O-CB 3.27Å; L7-I11 WeakPolarHBondContact O-CD1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 2.89Å; V8-I11 PolarHBondContact O-N 2.83Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.43Å; I11-L14 PolarHBondContact O-N 3.32Å; I11-L14 VanDerWaalsContact O-N 3.12Å; I11-L15 HydrophobicContact CG2-CD1 3.39Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 PolarHBondContact O-N 3.14Å
12	L	68.1	Low	72.5	Confident	121 Å²	121	109.5 Å²	109.5	63%	0.634	60%	0.599	S	S	*	*	H	α-helix	trans	-59.4	-39.5	177.9	-70.8	168.9	0	0	0	112.7	V8 S9 L15 G16	V8-L12 HydrophobicContact CG1-CD1 4.27Å; V8-L12 WeakPolarHBondContact O-CG 3.49Å; V8-L12 PolarHBondContact O-N 3.02Å; S9-L12 PolarHBondContact O-N 3.16Å; L12-L15 PolarHBondContact O-N 3.08Å; L12-G16 PolarHBondContact O-N 2.9Å
13	L	68.2	Low	74	Confident	138 Å²	138	103.3 Å²	103.3	72%	0.723	57%	0.567	S	S	*	*	H	α-helix	trans	-66.5	-35.1	176	-71.4	167.5	0	0	0	112.6	S9 L10 I11 G16	S9-L13 WeakPolarHBondContact O-CG 3.43Å; S9-L13 PolarHBondContact O-N 3.38Å; S9-L13 VanDerWaalsContact O-N 3.14Å; L10-L13 PolarHBondContact O-N 3.01Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.43Å; L13-G16 PolarHBondContact O-N 3.49Å
14	L	68.2	Low	75.3	Confident	127 Å²	127	99.8 Å²	99.8	67%	0.665	56%	0.563	S	S	*	*	H	α-helix	trans	-74.1	-34	178.3	-68.2	171.6	0	0	0	112.9	L10 I11 G16	L10-L14 HydrophobicContact CG-CD1 4.27Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.1Å; L10-L14 PolarHBondContact O-N 3.33Å; L10-L14 VanDerWaalsContact O-N 3.08Å; I11-L14 PolarHBondContact O-N 3.32Å; I11-L14 VanDerWaalsContact O-N 3.12Å; L14-G16 VanDerWaalsContact C-N 3.28Å; L14-G16 PolarHBondContact O-N 3.35Å
15	L	64.7	Low	76.3	Confident	135 Å²	135	99 Å²	99	71%	0.707	55%	0.551	S	S	*	*	H	α-helix	trans	-76.8	-11.7	174.7	-80.9	104.8	0	0	0	113.7	I11 L12 R17	I11-L15 HydrophobicContact CG2-CD1 3.39Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 PolarHBondContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 3.08Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 2.99Å
16	G	63.3	Low	77.3	Confident	53 Å²	53	98.1 Å²	98.1	55%	0.546	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.7	-173.9	0	0	0	0	0	116.5	L12 L13 L14 T18	L12-G16 PolarHBondContact O-N 2.9Å; L13-G16 PolarHBondContact O-N 3.49Å; L14-G16 VanDerWaalsContact C-N 3.28Å; L14-G16 PolarHBondContact O-N 3.35Å; G16-T18 PolarHBondContact O-N 3.41Å
17	R	63.9	Low	78.1	Confident	230 Å²	230	104.8 Å²	104.8	87%	0.868	56%	0.558	S	S	*	*			trans	-79.9	85.6	174.5	-79.5	-165.8	175.5	-180	-0.1	110.3	L15 R19	L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 2.99Å; R17-R19 PolarHBondContact O-N 3.49Å
18	T	65.5	Low	79.1	Confident	133 Å²	133	103.1 Å²	103.1	82%	0.816	56%	0.564	S	S	*	*			trans	-64.5	118.5	162	53.3	0	0	0	0	108.2	G16 G20	G16-T18 PolarHBondContact O-N 3.41Å; T18-G20 PolarHBondContact O-N 3.47Å
19	R	70.5	Confident	80.1	Confident	231 Å²	231	106 Å²	106	87%	0.872	58%	0.584	S	S	*	*			trans	-81.3	92.6	165.6	-73.4	-175.4	179	-162.7	-0.3	106.5	R17	R17-R19 PolarHBondContact O-N 3.49Å
20	G	85.5	Confident	81.3	Confident	51 Å²	51	105.8 Å²	105.8	53%	0.526	58%	0.579	S	S	.	*			trans	-71.1	151	172.6	0	0	0	0	0	110.9	T18	T18-G20 PolarHBondContact O-N 3.47Å
21	D	93.7	Very high	82.4	Confident	68 Å²	68	107.2 Å²	107.2	36%	0.364	59%	0.592	S	S	.	*			trans	-71.7	143.5	169.4	-60.7	-12.1	0	0	0	109.2	T45 A46 T47 L111	D21-T45 CarbonylContact C-O 3.5Å; D21-T45 WeakPolarHBondContact CA-O 3.41Å; D21-A46 HydrophobicContact CB-CB 4.19Å; D21-A46 VanDerWaalsContact OD1-CA 3.24Å; D21-A46 WeakPolarHBondContact OD1-CA 3.02Å; D21-T47 PolarHBondContact OD1-N 3.44Å; D21-L111 HydrophobicContact CB-CD1 3.58Å; D21-L111 HydrophobicContact CB-CD2 4.36Å
22	S	96.4	Very high	83.8	Confident	55 Å²	55	107.3 Å²	107.3	39%	0.385	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.8	155.3	-176.4	54.8	0	0	0	0	112.6	Y44 T45 L111	S22-Y44 CarbonylContact O-C 3.58Å; S22-Y44 VanDerWaalsContact O-CA 3.26Å; S22-Y44 WeakPolarHBondContact O-CA 3.41Å; S22-T45 PolarHBondContact N-O 2.91Å; S22-T45 PolarHBondContact O-N 3.15Å; S22-L111 WeakPolarHBondContact O-CD2 3.48Å
23	V	97.7	Very high	85.2	Confident	44 Å²	44	106.1 Å²	106.1	27%	0.267	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	149.6	165.3	-67.6	0	0	0	0	110	T43 C109 L111	V23-T43 CarbonylContact C-O 3.58Å; V23-T43 VanDerWaalsContact CA-O 3.27Å; V23-T43 WeakPolarHBondContact CA-O 3.4Å; V23-C109 WeakPolarHBondContact CG2-O 3.38Å; V23-L111 HydrophobicContact CG1-CB 4.1Å; V23-L111 HydrophobicContact CG1-CD2 3.58Å; V23-L111 HydrophobicContact CG1-CG 4.3Å
24	T	97.8	Very high	86.6	Confident	87 Å²	87	105.3 Å²	105.3	53%	0.534	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	122.3	167	-58.8	0	0	0	0	108	C42 T43	T24-C42 WeakPolarHBondContact O-CA 3.1Å; T24-T43 PolarHBondContact N-O 2.94Å; T24-T43 PolarHBondContact O-N 3.22Å
25	Q	97.5	Very high	88	Confident	56 Å²	56	106.6 Å²	106.6	26%	0.262	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	156	179.5	-69.2	-175.4	-106	0	0	111.1	E27 N41 C42 Y107 C109	Q25-E27 PolarHBondContact O-N 3.01Å; Q25-N41 CarbonylContact C-O 3.51Å; Q25-N41 VanDerWaalsContact CA-O 3.29Å; Q25-N41 WeakPolarHBondContact CA-O 3.37Å; Q25-C42 HydrophobicContact CG-CB 4.26Å; Q25-Y107 PolarHBondContact NE2-O 3.14Å; Q25-C109 HydrophobicContact CG-CB 3.52Å; Q25-C109 PolarHBondContact OE1-O 3.16Å
26	M	91.8	Very high	89.6	Confident	82 Å²	82	101.7 Å²	101.7	40%	0.404	57%	0.569	S	S	.	*			trans	-52.2	127.1	166.6	-175.8	-179.1	-67.9	0	0	110.1	V30 I40 N41	M26-V30 HydrophobicContact SD-CG2 3.75Å; M26-I40 HydrophobicContact CB-CG2 4.38Å; M26-N41 HydrophobicContact CB-CB 4.38Å; M26-N41 HydrophobicContact CE-CB 4.32Å; M26-N41 PolarHBondContact N-O 2.93Å
27	E	90.3	Very high	91.2	Very high	187 Å²	187	104.9 Å²	104.9	87%	0.874	57%	0.568	S	S	*	*			trans	-85.7	148.8	-179	-63.9	-176.2	174.9	0	0	111.8	Q25	Q25-E27 PolarHBondContact O-N 3.01Å
28	G	92.7	Very high	92.8	Very high	59 Å²	59	94.6 Å²	94.6	61%	0.608	53%	0.53	S	S	*	.	S	Bend	trans	83	175.3	174.2	0	0	0	0	0	114.8
29	P	94.7	Very high	94.4	Very high	126 Å²	126	90.3 Å²	90.3	82%	0.818	50%	0.504	S	S	*	.			trans	-73.8	141.9	179.1	30.4	-33.8	0	0	0	111.3
30	V	95.1	Very high	95.7	Very high	63 Å²	63	80.2 Å²	80.2	38%	0.382	47%	0.467	S	S	.	.			trans	-103.9	123.6	169.9	179.4	0	0	0	0	108	M26 L32 L38	M26-V30 HydrophobicContact SD-CG2 3.75Å; V30-L32 HydrophobicContact CG1-CD1 4.16Å; V30-L32 HydrophobicContact CG1-CD2 4.35Å; V30-L32 HydrophobicContact CG1-CG 3.95Å; V30-L38 HydrophobicContact CG1-CD1 4.02Å
31	T	96.6	Very high	96.3	Very high	130 Å²	130	81.3 Å²	81.3	80%	0.798	46%	0.461	S	S	*	.			trans	-119.8	121.6	176.7	-54.2	0	0	0	0	109.1
32	L	96.8	Very high	96.6	Very high	77 Å²	77	78.1 Å²	78.1	40%	0.403	44%	0.443	S	S	.	.			trans	-128.4	156.6	-178	-62.1	175.9	0	0	0	109.8	V30 A36 L38 V99	V30-L32 HydrophobicContact CG1-CD1 4.16Å; V30-L32 HydrophobicContact CG1-CD2 4.35Å; V30-L32 HydrophobicContact CG1-CG 3.95Å; L32-A36 HydrophobicContact CB-CB 4.12Å; L32-L38 HydrophobicContact CD1-CB 3.86Å; L32-L38 HydrophobicContact CD1-CD1 3.6Å; L32-L38 HydrophobicContact CD1-CG 4.34Å; L32-V99 HydrophobicContact CB-CG2 4.18Å; L32-V99 HydrophobicContact CD1-CG1 4.41Å
33	S	97.7	Very high	96.6	Very high	96 Å²	96	78 Å²	78	67%	0.671	44%	0.44	S	S	*	.			trans	-75.9	153.6	166.6	-60.2	0	0	0	0	109.9	A36 V99	S33-A36 WeakPolarHBondContact O-CB 3.39Å; S33-A36 PolarHBondContact O-N 3.45Å; S33-V99 VanDerWaalsContact O-CG2 3.27Å; S33-V99 WeakPolarHBondContact O-CG2 3.33Å
34	E	97.4	Very high	96.6	Very high	122 Å²	122	76.3 Å²	76.3	57%	0.57	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	149.2	170.6	-166.1	166	-149.6	0	0	110.4	A36 V99	E34-A36 PolarHBondContact O-N 2.81Å; E34-A36 VanDerWaalsContact O-N 3.09Å; E34-V99 WeakPolarHBondContact CG-O 3.32Å
35	E	97.7	Very high	96.5	Very high	154 Å²	154	76.4 Å²	76.4	72%	0.72	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-5.1	-175.3	-48.4	-179.8	163.6	0	0	116.1	S98 V99	E35-S98 WeakPolarHBondContact CA-OG 3.43Å; E35-V99 PolarHBondContact N-O 3.43Å
36	A	98.4	Very high	96.4	Very high	31 Å²	31	75.1 Å²	75.1	26%	0.256	43%	0.429	S	S	.	.			trans	-66.6	153.5	175	0	0	0	0	0	112.1	L32 S33 E34 V99	L32-A36 HydrophobicContact CB-CB 4.12Å; S33-A36 WeakPolarHBondContact O-CB 3.39Å; S33-A36 PolarHBondContact O-N 3.45Å; E34-A36 PolarHBondContact O-N 2.81Å; E34-A36 VanDerWaalsContact O-N 3.09Å; A36-V99 HydrophobicContact CB-CG2 4.25Å; A36-V99 WeakPolarHBondContact O-CG2 3.21Å; A36-V99 PolarHBondContact O-N 2.66Å
37	F	98.3	Very high	96.2	Very high	120 Å²	120	77.1 Å²	77.1	53%	0.526	45%	0.446	S	S	.	.			trans	-76.2	131.3	169.9	-175.3	-103	0	0	0	110.2	T39 E95 K96	F37-T39 WeakPolarHBondContact CE1-OG1 3.5Å; F37-E95 HydrophobicContact CZ-CB 4.2Å; F37-E95 HydrophobicContact CZ-CG 4.27Å; F37-K96 WeakPolarHBondContact CD2-O 3.31Å
38	L	97.9	Very high	96.2	Very high	14 Å²	14	70.2 Å²	70.2	7%	0.073	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.4	176.1	171.7	70.1	0	0	0	110.8	V30 L32 I40 F81 E95 K96 V99	V30-L38 HydrophobicContact CG1-CD1 4.02Å; L32-L38 HydrophobicContact CD1-CB 3.86Å; L32-L38 HydrophobicContact CD1-CD1 3.6Å; L32-L38 HydrophobicContact CD1-CG 4.34Å; L38-I40 HydrophobicContact CD1-CD1 4.34Å; L38-I40 HydrophobicContact CD1-CG1 3.78Å; L38-I40 HydrophobicContact CD2-CD1 4.42Å; L38-I40 HydrophobicContact CD2-CG1 4.38Å; L38-I40 HydrophobicContact CG-CG1 4.17Å; L38-F81 HydrophobicContact CD2-CD1 4.46Å; L38-F81 HydrophobicContact CD2-CE1 3.7Å; L38-E95 VanDerWaalsContact O-CA 3.28Å; L38-E95 WeakPolarHBondContact O-CA 3.38Å; L38-K96 HydrophobicContact CB-CB 4.24Å; L38-K96 HydrophobicContact CD2-CB 4.37Å; L38-K96 PolarHBondContact N-O 3.05Å; L38-K96 PolarHBondContact O-N 2.84Å; L38-V99 HydrophobicContact CB-CG1 3.46Å; L38-V99 VanDerWaalsContact CB-CG1 3.46Å; L38-V99 HydrophobicContact CD2-CG1 4.06Å; L38-V99 HydrophobicContact CG-CG1 4.33Å
39	T	98.1	Very high	96.1	Very high	44 Å²	44	75.1 Å²	75.1	27%	0.27	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.6	162	-52.8	0	0	0	0	109.8	F37 H93 L94 E95	F37-T39 WeakPolarHBondContact CE1-OG1 3.5Å; T39-H93 HydrophobicContact CG2-CB 4.28Å; T39-L94 CarbonylContact C-O 3.57Å; T39-L94 VanDerWaalsContact CA-O 3.29Å; T39-L94 WeakPolarHBondContact CA-O 3.24Å; T39-E95 HydrophobicContact CG2-CG 4.23Å
40	I	98.1	Very high	96.1	Very high	19 Å²	19	69.4 Å²	69.4	10%	0.097	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116	169.1	-50.1	-177.3	0	0	0	108.1	M26 L38 C42 W54 H93 L94 Y107	M26-I40 HydrophobicContact CB-CG2 4.38Å; L38-I40 HydrophobicContact CD1-CD1 4.34Å; L38-I40 HydrophobicContact CD1-CG1 3.78Å; L38-I40 HydrophobicContact CD2-CD1 4.42Å; L38-I40 HydrophobicContact CD2-CG1 4.38Å; L38-I40 HydrophobicContact CG-CG1 4.17Å; I40-C42 PolarHBondContact O-N 2.93Å; I40-W54 HydrophobicContact CB-CH2 4.03Å; I40-W54 HydrophobicContact CG2-CH2 3.66Å; I40-W54 HydrophobicContact CG2-CZ3 4.31Å; I40-H93 WeakPolarHBondContact O-CA 3.05Å; I40-L94 HydrophobicContact CB-CB 4.22Å; I40-L94 HydrophobicContact CD1-CD2 4.27Å; I40-L94 PolarHBondContact N-O 2.94Å; I40-L94 PolarHBondContact O-N 2.76Å; I40-Y107 HydrophobicContact CD1-CD2 4.07Å; I40-Y107 HydrophobicContact CD1-CG 4.1Å
41	N	98.3	Very high	96.2	Very high	74 Å²	74	67.7 Å²	67.7	40%	0.396	38%	0.38	S	S	.	.			trans	-72.6	126.3	-177.8	-66.7	-16.6	0	0	0	110.3	Q25 M26 H93	Q25-N41 CarbonylContact C-O 3.51Å; Q25-N41 VanDerWaalsContact CA-O 3.29Å; Q25-N41 WeakPolarHBondContact CA-O 3.37Å; M26-N41 HydrophobicContact CB-CB 4.38Å; M26-N41 HydrophobicContact CE-CB 4.32Å; M26-N41 PolarHBondContact N-O 2.93Å; N41-H93 WeakPolarHBondContact CA-ND1 3.41Å
42	C	98.5	Very high	96.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.9	161.4	178.4	0	0	0	0	110.8	T24 Q25 I40 W54 S91 F92 H93 C109	T24-C42 WeakPolarHBondContact O-CA 3.1Å; Q25-C42 HydrophobicContact CG-CB 4.26Å; I40-C42 PolarHBondContact O-N 2.93Å; C42-W54 HydrophobicContact CB-CH2 4.07Å; C42-W54 HydrophobicContact CB-CZ2 3.46Å; C42-W54 VanDerWaalsContact CB-CZ2 3.46Å; C42-S91 WeakPolarHBondContact O-CA 3.28Å; C42-S91 WeakPolarHBondContact O-CB 3.01Å; C42-F92 PolarHBondContact O-N 3.33Å; C42-H93 PolarHBondContact N-ND1 2.9Å; C42-H93 PolarHBondContact O-ND1 2.94Å; C42-C109 HydrophobicContact CB-CB 3.57Å; C42-C109 WeakPolarHBondContact CB-SG 3.29Å; C42-C109 WeakPolarHBondContact SG-CB 2.99Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 2.81Å
43	T	98.1	Very high	96.4	Very high	52 Å²	52	59 Å²	59	32%	0.319	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	162.1	168.4	58.6	0	0	0	0	109.9	V23 T24 T90	V23-T43 CarbonylContact C-O 3.58Å; V23-T43 VanDerWaalsContact CA-O 3.27Å; V23-T43 WeakPolarHBondContact CA-O 3.4Å; T24-T43 PolarHBondContact N-O 2.94Å; T24-T43 PolarHBondContact O-N 3.22Å; T43-T90 CarbonylContact C-O 3.51Å; T43-T90 WeakPolarHBondContact CA-O 3.44Å; T43-T90 WeakPolarHBondContact CB-O 3.32Å
44	Y	97.1	Very high	96.5	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.9	-179.9	71.3	-91.4	0	0	0	112.5	S22 A46 P50 L52 Y85 T90	S22-Y44 CarbonylContact O-C 3.58Å; S22-Y44 VanDerWaalsContact O-CA 3.26Å; S22-Y44 WeakPolarHBondContact O-CA 3.41Å; Y44-A46 HydrophobicContact CD2-CB 3.94Å; Y44-A46 HydrophobicContact CE2-CB 4.22Å; Y44-P50 HydrophobicContact CD2-CG 3.74Å; Y44-P50 HydrophobicContact CE2-CG 3.69Å; Y44-P50 HydrophobicContact CG-CG 4.39Å; Y44-L52 HydrophobicContact CD1-CD1 3.77Å; Y44-L52 HydrophobicContact CD1-CD2 3.85Å; Y44-L52 HydrophobicContact CD1-CG 4.49Å; Y44-L52 HydrophobicContact CE1-CD1 3.64Å; Y44-L52 HydrophobicContact CE1-CD2 4.38Å; Y44-L52 HydrophobicContact CG-CD2 4.07Å; Y44-Y85 HydrophobicContact CE1-CD2 4.49Å; Y44-Y85 AromaticContact CE1-CE2 3.97Å; Y44-Y85 HydrophobicContact CE1-CE2 3.97Å; Y44-Y85 AromaticContact CZ-CE2 3.91Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.44Å; Y44-T90 VanDerWaalsContact CD1-C 3.44Å; Y44-T90 VanDerWaalsContact CD1-O 3.27Å; Y44-T90 WeakPolarHBondContact CD1-O 3.27Å; Y44-T90 VanDerWaalsContact CE1-CA 3.48Å; Y44-T90 HydrophobicContact CE2-CG2 4.38Å; Y44-T90 PolarHBondContact N-O 3.11Å; Y44-T90 WeakPolarHBondContact O-CB 3.3Å
45	T	96.6	Very high	96.5	Very high	88 Å²	88	51.9 Å²	51.9	54%	0.54	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.7	166.3	-62.5	0	0	0	0	107.1	D21 S22	D21-T45 CarbonylContact C-O 3.5Å; D21-T45 WeakPolarHBondContact CA-O 3.41Å; S22-T45 PolarHBondContact N-O 2.91Å; S22-T45 PolarHBondContact O-N 3.15Å
46	A	94.1	Very high	96.6	Very high	29 Å²	29	44.6 Å²	44.6	24%	0.24	25%	0.248	C	C	.	.			trans	-146.7	152.5	178	0	0	0	0	0	111.8	D21 Y44 G48 P50	D21-A46 HydrophobicContact CB-CB 4.19Å; D21-A46 VanDerWaalsContact OD1-CA 3.24Å; D21-A46 WeakPolarHBondContact OD1-CA 3.02Å; Y44-A46 HydrophobicContact CD2-CB 3.94Å; Y44-A46 HydrophobicContact CE2-CB 4.22Å; A46-G48 PolarHBondContact O-N 3.38Å; A46-P50 HydrophobicContact CB-CB 4.31Å; A46-P50 HydrophobicContact CB-CG 3.8Å
47	T	88.7	Confident	96.6	Very high	124 Å²	124	46.7 Å²	46.7	76%	0.761	25%	0.252	S	S	*	.	S	Bend	trans	-74.8	-10.2	176.7	52.2	0	0	0	0	114.3	D21	D21-T47 PolarHBondContact OD1-N 3.44Å
48	G	89.3	Confident	96.6	Very high	42 Å²	42	42.2 Å²	42.2	43%	0.433	23%	0.232	S	C	.	.	S	Bend	trans	-146.5	-147	179.2	0	0	0	0	0	113.3	A46 P50	A46-G48 PolarHBondContact O-N 3.38Å; G48-P50 WeakPolarHBondContact O-CD 3.41Å
49	Y	90.7	Very high	96.6	Very high	162 Å²	162	46.8 Å²	46.8	64%	0.635	26%	0.263	S	S	*	.			trans	-100.5	91.5	174.1	-53.8	-55.7	0	0	0	109.2	K87	Y49-K87 HydrophobicContact CD1-CD 3.93Å; Y49-K87 HydrophobicContact CD1-CG 4.45Å; Y49-K87 HydrophobicContact CE1-CD 3.46Å; Y49-K87 VanDerWaalsContact CE1-CD 3.46Å; Y49-K87 HydrophobicContact CE1-CG 4.21Å; Y49-K87 VanDerWaalsContact CE1-NZ 3.3Å; Y49-K87 VanDerWaalsContact CZ-NZ 3.29Å; Y49-K87 PolarHBondContact OH-NZ 3.07Å
50	P	95.8	Very high	96.5	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.039	30%	0.295	C	S	.	.			trans	-68.6	158.7	179.9	30.7	-37.7	0	0	0	110.4	Y44 A46 G48 L52 Y85 L111 S112	Y44-P50 HydrophobicContact CD2-CG 3.74Å; Y44-P50 HydrophobicContact CE2-CG 3.69Å; Y44-P50 HydrophobicContact CG-CG 4.39Å; A46-P50 HydrophobicContact CB-CB 4.31Å; A46-P50 HydrophobicContact CB-CG 3.8Å; G48-P50 WeakPolarHBondContact O-CD 3.41Å; P50-L52 HydrophobicContact CB-CD2 4.44Å; P50-L52 HydrophobicContact CG-CD2 3.94Å; P50-L52 HydrophobicContact CG-CG 4.49Å; P50-Y85 VanDerWaalsContact CD-OH 3.29Å; P50-Y85 WeakPolarHBondContact CD-OH 3.17Å; P50-Y85 WeakPolarHBondContact O-CE1 3.49Å; P50-Y85 PolarHBondContact O-OH 2.86Å; P50-L111 HydrophobicContact CB-CB 4.09Å; P50-L111 HydrophobicContact CB-CD1 3.76Å; P50-L111 HydrophobicContact CG-CD1 4.42Å; P50-S112 CarbonylContact C-O 3.51Å; P50-S112 WeakPolarHBondContact CA-O 3.2Å
51	S	97	Very high	96.5	Very high	28 Å²	28	52.7 Å²	52.7	20%	0.196	31%	0.311	C	S	.	.			trans	-77	140.3	156.9	-62.8	0	0	0	0	108.9	F53 A69 L111 S112	S51-F53 WeakPolarHBondContact O-CE2 3.27Å; S51-A69 CarbonylContact C-O 3.6Å; S51-A69 WeakPolarHBondContact CA-O 3.45Å; S51-L111 CarbonylContact O-C 3.59Å; S51-L111 VanDerWaalsContact O-CA 3.23Å; S51-L111 WeakPolarHBondContact O-CA 3.36Å; S51-S112 PolarHBondContact N-O 3.26Å; S51-S112 PolarHBondContact O-N 2.81Å
52	L	98.4	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.6	-177.2	-60.2	173.8	0	0	0	110.1	Y44 P50 K68 A69 Y85 F92 L111	Y44-L52 HydrophobicContact CD1-CD1 3.77Å; Y44-L52 HydrophobicContact CD1-CD2 3.85Å; Y44-L52 HydrophobicContact CD1-CG 4.49Å; Y44-L52 HydrophobicContact CE1-CD1 3.64Å; Y44-L52 HydrophobicContact CE1-CD2 4.38Å; Y44-L52 HydrophobicContact CG-CD2 4.07Å; P50-L52 HydrophobicContact CB-CD2 4.44Å; P50-L52 HydrophobicContact CG-CD2 3.94Å; P50-L52 HydrophobicContact CG-CG 4.49Å; L52-K68 CarbonylContact O-C 3.58Å; L52-K68 WeakPolarHBondContact O-CA 3.29Å; L52-A69 PolarHBondContact N-O 3.49Å; L52-A69 PolarHBondContact O-N 3.22Å; L52-Y85 HydrophobicContact CD1-CD1 3.83Å; L52-Y85 HydrophobicContact CD1-CD2 3.56Å; L52-Y85 HydrophobicContact CD1-CE1 3.92Å; L52-Y85 HydrophobicContact CD1-CE2 3.7Å; L52-Y85 HydrophobicContact CD1-CG 3.66Å; L52-Y85 HydrophobicContact CG-CD1 4.26Å; L52-Y85 HydrophobicContact CG-CE1 4.13Å; L52-F92 HydrophobicContact CB-CB 4.23Å; L52-F92 HydrophobicContact CB-CD1 3.6Å; L52-F92 HydrophobicContact CB-CD2 4.3Å; L52-F92 HydrophobicContact CB-CE1 3.92Å; L52-F92 HydrophobicContact CB-CG 3.81Å; L52-F92 HydrophobicContact CB-CZ 4.42Å; L52-F92 HydrophobicContact CD1-CB 3.71Å; L52-F92 HydrophobicContact CD1-CD2 4.35Å; L52-F92 HydrophobicContact CD1-CG 4.04Å; L52-F92 HydrophobicContact CG-CB 4.49Å; L52-L111 HydrophobicContact CD2-CB 3.77Å
53	F	98.5	Very high	96.5	Very high	23 Å²	23	56.2 Å²	56.2	10%	0.101	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.1	-172.7	-51	-96	0	0	0	110.6	S51 Y55 L65 L67 K68 C109 A110 S112	S51-F53 WeakPolarHBondContact O-CE2 3.27Å; F53-Y55 HydrophobicContact CB-CD2 4.13Å; F53-Y55 HydrophobicContact CB-CE2 3.62Å; F53-Y55 HydrophobicContact CG-CE2 4.21Å; F53-L65 HydrophobicContact CB-CD1 4.3Å; F53-L65 HydrophobicContact CD1-CD1 3.91Å; F53-L67 WeakPolarHBondContact CA-O 3.38Å; F53-K68 HydrophobicContact CD1-CB 4.12Å; F53-K68 HydrophobicContact CD1-CD 4.24Å; F53-K68 HydrophobicContact CD1-CG 3.86Å; F53-K68 HydrophobicContact CE1-CB 4.41Å; F53-K68 HydrophobicContact CE1-CD 3.7Å; F53-K68 HydrophobicContact CE1-CG 3.68Å; F53-C109 WeakPolarHBondContact O-CA 3.13Å; F53-A110 HydrophobicContact CB-CB 4.38Å; F53-A110 PolarHBondContact N-O 2.95Å; F53-A110 PolarHBondContact O-N 3.24Å; F53-S112 WeakPolarHBondContact CE2-OG 3.44Å
54	W	98.7	Very high	96.5	Very high	0 Å²	0	57 Å²	57	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.5	157.6	-81.3	101.1	0	0	0	108.9	I40 C42 L66 L67 F92 L94 F108 C109	I40-W54 HydrophobicContact CB-CH2 4.03Å; I40-W54 HydrophobicContact CG2-CH2 3.66Å; I40-W54 HydrophobicContact CG2-CZ3 4.31Å; C42-W54 HydrophobicContact CB-CH2 4.07Å; C42-W54 HydrophobicContact CB-CZ2 3.46Å; C42-W54 VanDerWaalsContact CB-CZ2 3.46Å; W54-L66 HydrophobicContact CB-CB 4.31Å; W54-L66 HydrophobicContact CB-CD2 4.45Å; W54-L66 WeakPolarHBondContact O-CA 3.2Å; W54-L66 WeakPolarHBondContact O-CB 3.46Å; W54-L66 PolarHBondContact O-N 2.9Å; W54-L67 HydrophobicContact CB-CB 4.14Å; W54-L67 HydrophobicContact CB-CG 4.42Å; W54-L67 PolarHBondContact N-O 2.81Å; W54-L67 PolarHBondContact O-N 3.42Å; W54-L67 VanDerWaalsContact O-N 3.08Å; W54-F92 AromaticContact CD1-CD1 3.45Å; W54-F92 VanDerWaalsContact CD1-CD1 3.45Å; W54-F92 AromaticContact CD1-CE1 3.38Å; W54-F92 HydrophobicContact CG-CE1 4.37Å; W54-F92 AromaticContact NE1-CD1 3.51Å; W54-F92 AromaticContact NE1-CE1 3.95Å; W54-F92 PolarHBondContact NE1-O 2.96Å; W54-L94 HydrophobicContact CB-CD1 4.3Å; W54-L94 HydrophobicContact CD2-CB 3.93Å; W54-L94 HydrophobicContact CD2-CD1 4.21Å; W54-L94 HydrophobicContact CD2-CD2 4.12Å; W54-L94 HydrophobicContact CD2-CG 4.32Å; W54-L94 HydrophobicContact CE3-CB 4.41Å; W54-L94 HydrophobicContact CE3-CD2 4.06Å; W54-L94 HydrophobicContact CG-CB 4.4Å; W54-L94 HydrophobicContact CG-CD1 3.87Å; W54-L94 HydrophobicContact CG-CG 4.5Å; W54-L94 HydrophobicContact CH2-CB 4.12Å; W54-L94 HydrophobicContact CZ2-CB 3.62Å; W54-L94 HydrophobicContact CZ3-CB 4.49Å; W54-L94 HydrophobicContact CZ3-CD2 4.39Å; W54-F108 CarbonylContact C-O 3.51Å; W54-F108 WeakPolarHBondContact CA-O 3.37Å; W54-F108 VanDerWaalsContact CE3-C 3.45Å; W54-C109 HydrophobicContact CD2-CB 4.26Å; W54-C109 HydrophobicContact CE3-CB 4.18Å; W54-C109 HydrophobicContact CH2-CB 3.82Å; W54-C109 HydrophobicContact CZ2-CB 3.87Å; W54-C109 HydrophobicContact CZ3-CB 3.97Å
55	Y	98.7	Very high	96.6	Very high	69 Å²	69	60.7 Å²	60.7	27%	0.271	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150.6	167.8	-66.2	-93.8	0	0	0	109.7	F53 L63 Q64 L65 Y107 F108 A110	F53-Y55 HydrophobicContact CB-CD2 4.13Å; F53-Y55 HydrophobicContact CB-CE2 3.62Å; F53-Y55 HydrophobicContact CG-CE2 4.21Å; Y55-L63 HydrophobicContact CD1-CD2 3.99Å; Y55-L63 HydrophobicContact CD1-CG 3.93Å; Y55-L63 HydrophobicContact CG-CD1 4.45Å; Y55-L63 HydrophobicContact CG-CD2 4.12Å; Y55-L63 HydrophobicContact CG-CG 4.15Å; Y55-Q64 CarbonylContact C-O 3.48Å; Y55-Q64 WeakPolarHBondContact CA-O 2.96Å; Y55-Q64 WeakPolarHBondContact CB-O 3.4Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.38Å; Y55-L65 HydrophobicContact CD1-CB 4.31Å; Y55-L65 HydrophobicContact CD1-CD1 4.39Å; Y55-L65 HydrophobicContact CE1-CB 4.1Å; Y55-L65 HydrophobicContact CE1-CD1 4Å; Y55-L65 HydrophobicContact CE2-CD1 4.46Å; Y55-Y107 CarbonylContact O-C 3.56Å; Y55-Y107 WeakPolarHBondContact O-CA 3.03Å; Y55-F108 PolarHBondContact N-O 3.49Å; Y55-F108 PolarHBondContact O-N 3.37Å; Y55-A110 HydrophobicContact CD2-CB 4.33Å; Y55-A110 HydrophobicContact CE2-CB 4.13Å
56	V	98.6	Very high	96.7	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.4	174.5	63.6	0	0	0	0	109.3	Y58 Q64 L66 A105 V106 Y107	V56-Y58 HydrophobicContact CG1-CD2 4.46Å; V56-Y58 HydrophobicContact CG1-CE2 3.81Å; V56-Y58 HydrophobicContact CG2-CD2 4.31Å; V56-Y58 HydrophobicContact CG2-CE1 4.21Å; V56-Y58 HydrophobicContact CG2-CE2 3.9Å; V56-Q64 HydrophobicContact CG1-CB 4.07Å; V56-Q64 PolarHBondContact N-O 2.02Å; V56-Q64 PolarHBondContact O-N 2.8Å; V56-L66 HydrophobicContact CB-CB 4.32Å; V56-L66 HydrophobicContact CB-CD2 4.47Å; V56-L66 HydrophobicContact CG1-CB 4.09Å; V56-L66 HydrophobicContact CG1-CD1 4.23Å; V56-A105 HydrophobicContact CG2-CB 3.55Å; V56-V106 CarbonylContact C-O 3.6Å; V56-V106 WeakPolarHBondContact CA-O 3.09Å; V56-Y107 HydrophobicContact CB-CD1 4.09Å; V56-Y107 HydrophobicContact CB-CE1 3.99Å; V56-Y107 HydrophobicContact CG2-CD1 3.97Å; V56-Y107 HydrophobicContact CG2-CE1 3.55Å; V56-Y107 HydrophobicContact CG2-CE2 4.46Å
57	Q	98.5	Very high	96.9	Very high	76 Å²	76	55.8 Å²	55.8	36%	0.355	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	104.3	172.7	-175.3	175.3	36.1	0	0	109.2	E61 L63 A105 V106 F108	Q57-E61 PolarHBondContact NE2-O 3.4Å; Q57-L63 HydrophobicContact CB-CD1 4.09Å; Q57-A105 WeakPolarHBondContact O-CB 3.29Å; Q57-V106 HydrophobicContact CB-CB 4.49Å; Q57-V106 PolarHBondContact N-O 3.12Å; Q57-V106 PolarHBondContact O-N 2.84Å; Q57-F108 HydrophobicContact CB-CE2 4.1Å
58	Y	98.1	Very high	97.3	Very high	26 Å²	26	55.2 Å²	55.2	10%	0.102	32%	0.315	C	S	.	.			trans	-74.2	154.5	173.7	-63.8	-77.4	0	0	0	111	V56 G60 E61 K79 A105	V56-Y58 HydrophobicContact CG1-CD2 4.46Å; V56-Y58 HydrophobicContact CG1-CE2 3.81Å; V56-Y58 HydrophobicContact CG2-CD2 4.31Å; V56-Y58 HydrophobicContact CG2-CE1 4.21Å; V56-Y58 HydrophobicContact CG2-CE2 3.9Å; Y58-G60 PolarHBondContact O-N 2.86Å; Y58-E61 PolarHBondContact O-N 3.36Å; Y58-K79 PolarHBondContact OH-NZ 2.87Å; Y58-A105 HydrophobicContact CD1-CB 3.7Å; Y58-A105 HydrophobicContact CE1-CB 4Å; Y58-A105 HydrophobicContact CG-CB 4.32Å
59	P	97.8	Very high	97.8	Very high	110 Å²	110	53.3 Å²	53.3	71%	0.714	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	123.1	176.9	-26.6	35.3	0	0	0	112.3	E61 S104	P59-E61 VanDerWaalsContact C-N 3.25Å; P59-E61 PolarHBondContact O-N 2.86Å; P59-S104 WeakPolarHBondContact CD-O 3.35Å
60	G	98	Very high	98	Very high	92 Å²	92	48.5 Å²	48.5	95%	0.948	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	0.3	179.7	0	0	0	0	0	115.4	Y58	Y58-G60 PolarHBondContact O-N 2.86Å
61	E	97.8	Very high	98	Very high	94 Å²	94	55 Å²	55	44%	0.439	31%	0.31	S	S	.	.	S	Bend	trans	-106.1	163.2	178.7	-63.6	-174.2	-149	0	0	112.6	Q57 Y58 P59 Q64	Q57-E61 PolarHBondContact NE2-O 3.4Å; Y58-E61 PolarHBondContact O-N 3.36Å; P59-E61 VanDerWaalsContact C-N 3.25Å; P59-E61 PolarHBondContact O-N 2.86Å; E61-Q64 PolarHBondContact OE2-NE2 2.85Å
62	G	97.9	Very high	97.9	Very high	51 Å²	51	55.5 Å²	55.5	53%	0.526	32%	0.316	S	S	.	.			trans	-74.3	166.7	171	0	0	0	0	0	112.7	Q64	G62-Q64 PolarHBondContact O-N 2.75Å
63	L	98.2	Very high	97.8	Very high	98 Å²	98	61.7 Å²	61.7	51%	0.513	35%	0.349	S	S	.	.			trans	-65.2	127.5	174.5	-167.4	70.8	0	0	0	110.5	Y55 Q57 F108	Y55-L63 HydrophobicContact CD1-CD2 3.99Å; Y55-L63 HydrophobicContact CD1-CG 3.93Å; Y55-L63 HydrophobicContact CG-CD1 4.45Å; Y55-L63 HydrophobicContact CG-CD2 4.12Å; Y55-L63 HydrophobicContact CG-CG 4.15Å; Q57-L63 HydrophobicContact CB-CD1 4.09Å; L63-F108 HydrophobicContact CD1-CD2 3.52Å; L63-F108 HydrophobicContact CD1-CE2 3.79Å; L63-F108 HydrophobicContact CD1-CG 4.48Å
64	Q	98.6	Very high	97.7	Very high	67 Å²	67	63.1 Å²	63.1	31%	0.313	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.5	-178.4	-65.9	172.1	9.3	0	0	110.6	Y55 V56 E61 G62 L66	Y55-Q64 CarbonylContact C-O 3.48Å; Y55-Q64 WeakPolarHBondContact CA-O 2.96Å; Y55-Q64 WeakPolarHBondContact CB-O 3.4Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.38Å; V56-Q64 HydrophobicContact CG1-CB 4.07Å; V56-Q64 PolarHBondContact N-O 2.02Å; V56-Q64 PolarHBondContact O-N 2.8Å; E61-Q64 PolarHBondContact OE2-NE2 2.85Å; G62-Q64 PolarHBondContact O-N 2.75Å; Q64-L66 PolarHBondContact O-N 2.79Å
65	L	98.5	Very high	97.7	Very high	89 Å²	89	68.6 Å²	68.6	47%	0.466	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	121.6	170.4	179.9	66.4	0	0	0	109.3	F53 Y55 L67	F53-L65 HydrophobicContact CB-CD1 4.3Å; F53-L65 HydrophobicContact CD1-CD1 3.91Å; Y55-L65 HydrophobicContact CD1-CB 4.31Å; Y55-L65 HydrophobicContact CD1-CD1 4.39Å; Y55-L65 HydrophobicContact CE1-CB 4.1Å; Y55-L65 HydrophobicContact CE1-CD1 4Å; Y55-L65 HydrophobicContact CE2-CD1 4.46Å; L65-L67 WeakPolarHBondContact CD1-O 3.17Å
66	L	98.7	Very high	97.5	Very high	8 Å²	8	65.7 Å²	65.7	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-59.4	176.5	-175.9	67.4	0	0	0	110.8	W54 V56 Q64 N78 F81 L94 Y107	W54-L66 HydrophobicContact CB-CB 4.31Å; W54-L66 HydrophobicContact CB-CD2 4.45Å; W54-L66 WeakPolarHBondContact O-CA 3.2Å; W54-L66 WeakPolarHBondContact O-CB 3.46Å; W54-L66 PolarHBondContact O-N 2.9Å; V56-L66 HydrophobicContact CB-CB 4.32Å; V56-L66 HydrophobicContact CB-CD2 4.47Å; V56-L66 HydrophobicContact CG1-CB 4.09Å; V56-L66 HydrophobicContact CG1-CD1 4.23Å; Q64-L66 PolarHBondContact O-N 2.79Å; L66-N78 HydrophobicContact CD1-CB 4.37Å; L66-N78 VanDerWaalsContact O-CB 3.3Å; L66-N78 WeakPolarHBondContact O-CB 3.08Å; L66-N78 PolarHBondContact O-ND2 3.28Å; L66-F81 HydrophobicContact CD1-CD2 4.28Å; L66-F81 HydrophobicContact CD2-CB 4.14Å; L66-F81 HydrophobicContact CD2-CD1 4.48Å; L66-F81 HydrophobicContact CD2-CD2 4.22Å; L66-F81 HydrophobicContact CD2-CG 4.03Å; L66-L94 HydrophobicContact CD2-CD1 4.04Å; L66-L94 HydrophobicContact CD2-CD2 4.16Å; L66-Y107 HydrophobicContact CD2-CD1 3.97Å; L66-Y107 HydrophobicContact CD2-CE1 3.78Å
67	L	98.6	Very high	97.5	Very high	5 Å²	5	69.3 Å²	69.3	3%	0.026	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153	-178	-53.4	179.9	0	0	0	111.1	F53 W54 L65 N78 A83 F92 L94	F53-L67 WeakPolarHBondContact CA-O 3.38Å; W54-L67 HydrophobicContact CB-CB 4.14Å; W54-L67 HydrophobicContact CB-CG 4.42Å; W54-L67 PolarHBondContact N-O 2.81Å; W54-L67 PolarHBondContact O-N 3.42Å; W54-L67 VanDerWaalsContact O-N 3.08Å; L65-L67 WeakPolarHBondContact CD1-O 3.17Å; L67-N78 HydrophobicContact CD2-CB 3.58Å; L67-A83 HydrophobicContact CD1-CB 3.53Å; L67-F92 HydrophobicContact CB-CZ 4.4Å; L67-L94 HydrophobicContact CD1-CD1 3.44Å; L67-L94 VanDerWaalsContact CD1-CD1 3.44Å; L67-L94 HydrophobicContact CG-CD1 4.32Å
68	K	98.1	Very high	97.5	Very high	113 Å²	113	69 Å²	69	49%	0.491	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	139.1	172.9	177.9	-179.9	180	179.4	0	110	L52 F53 T70	L52-K68 CarbonylContact O-C 3.58Å; L52-K68 WeakPolarHBondContact O-CA 3.29Å; F53-K68 HydrophobicContact CD1-CB 4.12Å; F53-K68 HydrophobicContact CD1-CD 4.24Å; F53-K68 HydrophobicContact CD1-CG 3.86Å; F53-K68 HydrophobicContact CE1-CB 4.41Å; F53-K68 HydrophobicContact CE1-CD 3.7Å; F53-K68 HydrophobicContact CE1-CG 3.68Å; K68-T70 HydrophobicContact CD-CG2 4.42Å; K68-T70 VanDerWaalsContact CE-CG2 3.43Å; K68-T70 HydrophobicContact CG-CG2 4.33Å
69	A	98.1	Very high	97.4	Very high	2 Å²	2	72.7 Å²	72.7	2%	0.017	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.1	170.5	0	0	0	0	0	109.4	S51 L52 D74 Y85 F92	S51-A69 CarbonylContact C-O 3.6Å; S51-A69 WeakPolarHBondContact CA-O 3.45Å; L52-A69 PolarHBondContact N-O 3.49Å; L52-A69 PolarHBondContact O-N 3.22Å; A69-D74 HydrophobicContact CB-CB 3.73Å; A69-Y85 HydrophobicContact CB-CD1 4Å; A69-Y85 HydrophobicContact CB-CG 4.43Å; A69-F92 HydrophobicContact CB-CD2 4.41Å; A69-F92 HydrophobicContact CB-CE2 3.51Å; A69-F92 HydrophobicContact CB-CZ 3.68Å
70	T	96.3	Very high	97.4	Very high	60 Å²	60	69.8 Å²	69.8	37%	0.368	41%	0.406	S	S	.	.			trans	-119.5	-16.1	-174	57.5	0	0	0	0	113.7	K68 D74	K68-T70 HydrophobicContact CD-CG2 4.42Å; K68-T70 VanDerWaalsContact CE-CG2 3.43Å; K68-T70 HydrophobicContact CG-CG2 4.33Å; T70-D74 PolarHBondContact N-OD2 3.27Å; T70-D74 PolarHBondContact OG1-OD2 3.27Å
71	K	95.8	Very high	97.4	Very high	143 Å²	143	65.4 Å²	65.4	62%	0.622	36%	0.361	S	S	*	.	S	Bend	trans	-132.3	157.1	-179	-57.8	176.7	-173.4	175.1	0	110	D73 D74 Y85	K71-D73 PolarHBondContact O-N 3.03Å; K71-D74 PolarHBondContact N-OD2 3.24Å; K71-D74 WeakPolarHBondContact O-CB 3.19Å; K71-D74 PolarHBondContact O-N 3.5Å; K71-D74 VanDerWaalsContact O-N 3.14Å; K71-Y85 VanDerWaalsContact C-CD1 3.48Å; K71-Y85 WeakPolarHBondContact O-CB 3.27Å; K71-Y85 WeakPolarHBondContact O-CD1 3.36Å
72	A	94.3	Very high	97.5	Very high	39 Å²	39	64.2 Å²	64.2	32%	0.322	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141	170.1	0	0	0	0	0	110.3	D74 K87	A72-D74 PolarHBondContact O-N 3.12Å; A72-D74 VanDerWaalsContact O-N 3.12Å; A72-K87 HydrophobicContact CB-CB 3.81Å; A72-K87 HydrophobicContact CB-CD 4.09Å
73	D	95.6	Very high	97.5	Very high	129 Å²	129	61.8 Å²	61.8	69%	0.69	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	1.4	-178.4	-49.6	-51.2	0	0	0	115.3	K71 K75 Y85	K71-D73 PolarHBondContact O-N 3.03Å; D73-K75 PolarHBondContact O-N 3.02Å; D73-Y85 WeakPolarHBondContact CA-O 3.24Å; D73-Y85 PolarHBondContact N-O 2.94Å
74	D	97.6	Very high	97.5	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.283	32%	0.315	S	S	.	.			trans	-57.6	134.1	166.3	-80	-8	0	0	0	109	A69 T70 K71 A72 Y85	A69-D74 HydrophobicContact CB-CB 3.73Å; T70-D74 PolarHBondContact N-OD2 3.27Å; T70-D74 PolarHBondContact OG1-OD2 3.27Å; K71-D74 PolarHBondContact N-OD2 3.24Å; K71-D74 WeakPolarHBondContact O-CB 3.19Å; K71-D74 PolarHBondContact O-N 3.5Å; K71-D74 VanDerWaalsContact O-N 3.14Å; A72-D74 PolarHBondContact O-N 3.12Å; A72-D74 VanDerWaalsContact O-N 3.12Å; D74-Y85 PolarHBondContact O-N 2.82Å
75	K	97.6	Very high	97.5	Very high	115 Å²	115	55.4 Å²	55.4	50%	0.5	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.9	172.8	-169.7	-179.8	-174.1	-167.7	0	109.4	D73 E82 A83	D73-K75 PolarHBondContact O-N 3.02Å; K75-E82 WeakPolarHBondContact CE-OE1 3.48Å; K75-E82 WeakPolarHBondContact CE-OE2 3.25Å; K75-E82 IonicContact NZ-OE1 2.84Å; K75-E82 PolarHBondContact NZ-OE1 3.19Å; K75-E82 IonicContact NZ-OE2 2.91Å; K75-E82 PolarHBondContact NZ-OE2 3.48Å; K75-A83 WeakPolarHBondContact CA-O 3.27Å
76	G	95.6	Very high	97.5	Very high	8 Å²	8	57.1 Å²	57.1	8%	0.082	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140	166.8	0	0	0	0	0	110.1	E82 A83	G76-E82 CarbonylContact O-C 3.57Å; G76-E82 VanDerWaalsContact O-CA 3.27Å; G76-E82 WeakPolarHBondContact O-CA 3.36Å; G76-A83 PolarHBondContact N-O 2.79Å; G76-A83 PolarHBondContact O-N 3.11Å
77	S	97.9	Very high	97.4	Very high	78 Å²	78	60.2 Å²	60.2	55%	0.545	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	131.8	169.4	-176.1	0	0	0	0	110.9	F81	S77-F81 CarbonylContact C-O 3.56Å; S77-F81 VanDerWaalsContact CA-O 3.24Å; S77-F81 WeakPolarHBondContact CA-O 3.43Å
78	N	98.3	Very high	97.2	Very high	69 Å²	69	68.3 Å²	68.3	37%	0.369	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	138.4	178.4	-169.3	6.7	0	0	0	110.6	L66 L67 G80 F81	L66-N78 HydrophobicContact CD1-CB 4.37Å; L66-N78 VanDerWaalsContact O-CB 3.3Å; L66-N78 WeakPolarHBondContact O-CB 3.08Å; L66-N78 PolarHBondContact O-ND2 3.28Å; L67-N78 HydrophobicContact CD2-CB 3.58Å; N78-G80 PolarHBondContact O-N 2.97Å; N78-F81 PolarHBondContact N-O 3.46Å; N78-F81 WeakPolarHBondContact O-CA 3.39Å; N78-F81 WeakPolarHBondContact O-CB 3.17Å; N78-F81 PolarHBondContact O-N 2.98Å
79	K	96.6	Very high	97.1	Very high	104 Å²	104	66.7 Å²	66.7	45%	0.452	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	31.5	-178.9	-58.1	-174.3	-175.8	-176.8	0	114.4	Y58 F81 K96	Y58-K79 PolarHBondContact OH-NZ 2.87Å; K79-F81 HydrophobicContact CB-CD2 4.23Å; K79-F81 PolarHBondContact O-N 3.32Å; K79-K96 PolarHBondContact O-NZ 3Å
80	G	97.7	Very high	97.1	Very high	49 Å²	49	69.6 Å²	69.6	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	0.1	-176.2	0	0	0	0	0	115.1	N78	N78-G80 PolarHBondContact O-N 2.97Å
81	F	98.7	Very high	97.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	146.4	167.1	-67	-89.2	0	0	0	110.5	L38 L66 S77 N78 K79 L94 E95 K96 D103 Y107	L38-F81 HydrophobicContact CD2-CD1 4.46Å; L38-F81 HydrophobicContact CD2-CE1 3.7Å; L66-F81 HydrophobicContact CD1-CD2 4.28Å; L66-F81 HydrophobicContact CD2-CB 4.14Å; L66-F81 HydrophobicContact CD2-CD1 4.48Å; L66-F81 HydrophobicContact CD2-CD2 4.22Å; L66-F81 HydrophobicContact CD2-CG 4.03Å; S77-F81 CarbonylContact C-O 3.56Å; S77-F81 VanDerWaalsContact CA-O 3.24Å; S77-F81 WeakPolarHBondContact CA-O 3.43Å; N78-F81 PolarHBondContact N-O 3.46Å; N78-F81 WeakPolarHBondContact O-CA 3.39Å; N78-F81 WeakPolarHBondContact O-CB 3.17Å; N78-F81 PolarHBondContact O-N 2.98Å; K79-F81 HydrophobicContact CB-CD2 4.23Å; K79-F81 PolarHBondContact O-N 3.32Å; F81-L94 HydrophobicContact CB-CD1 3.93Å; F81-L94 HydrophobicContact CD1-CD1 4.09Å; F81-L94 HydrophobicContact CD1-CD2 3.85Å; F81-L94 HydrophobicContact CD1-CG 3.84Å; F81-L94 HydrophobicContact CE1-CD2 4.23Å; F81-L94 HydrophobicContact CG-CD1 4.38Å; F81-E95 CarbonylContact C-O 3.5Å; F81-E95 VanDerWaalsContact CA-O 3.27Å; F81-E95 WeakPolarHBondContact CA-O 3.18Å; F81-K96 HydrophobicContact CD1-CB 3.77Å; F81-K96 HydrophobicContact CD1-CD 4Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 4Å; F81-K96 HydrophobicContact CE1-CB 3.89Å; F81-K96 HydrophobicContact CE1-CD 3.7Å; F81-K96 HydrophobicContact CE1-CG 4.44Å; F81-K96 HydrophobicContact CE2-CD 3.68Å; F81-K96 HydrophobicContact CG-CB 4.39Å; F81-K96 HydrophobicContact CG-CD 4.14Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; F81-D103 VanDerWaalsContact CE2-OD1 3.32Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.48Å; F81-D103 HydrophobicContact CZ-CB 3.96Å; F81-Y107 HydrophobicContact CD1-CE1 4.46Å; F81-Y107 AromaticContact CE1-CE1 3.91Å; F81-Y107 HydrophobicContact CE1-CE1 3.91Å; F81-Y107 AromaticContact CE1-CZ 3.94Å; F81-Y107 HydrophobicContact CE2-CE1 4.38Å; F81-Y107 AromaticContact CZ-CE1 3.89Å; F81-Y107 HydrophobicContact CZ-CE1 3.89Å; F81-Y107 AromaticContact CZ-CZ 3.68Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.37Å
82	E	98.7	Very high	97.3	Very high	68 Å²	68	60 Å²	60	32%	0.318	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.9	177.2	-57	-168.1	130.1	0	0	110.8	K75 G76 E95	K75-E82 WeakPolarHBondContact CE-OE1 3.48Å; K75-E82 WeakPolarHBondContact CE-OE2 3.25Å; K75-E82 IonicContact NZ-OE1 2.84Å; K75-E82 PolarHBondContact NZ-OE1 3.19Å; K75-E82 IonicContact NZ-OE2 2.91Å; K75-E82 PolarHBondContact NZ-OE2 3.48Å; G76-E82 CarbonylContact O-C 3.57Å; G76-E82 VanDerWaalsContact O-CA 3.27Å; G76-E82 WeakPolarHBondContact O-CA 3.36Å; E82-E95 PolarHBondContact N-O 2.79Å; E82-E95 PolarHBondContact O-N 3.08Å
83	A	98.7	Very high	97.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	132.4	169.3	0	0	0	0	0	109.4	L67 K75 G76 F92 H93	L67-A83 HydrophobicContact CD1-CB 3.53Å; K75-A83 WeakPolarHBondContact CA-O 3.27Å; G76-A83 PolarHBondContact N-O 2.79Å; G76-A83 PolarHBondContact O-N 3.11Å; A83-F92 HydrophobicContact CB-CD1 4.25Å; A83-F92 HydrophobicContact CB-CD2 3.78Å; A83-F92 HydrophobicContact CB-CE1 4.01Å; A83-F92 HydrophobicContact CB-CE2 3.48Å; A83-F92 VanDerWaalsContact CB-CE2 3.48Å; A83-F92 HydrophobicContact CB-CG 4.15Å; A83-F92 HydrophobicContact CB-CZ 3.61Å; A83-F92 WeakPolarHBondContact O-CE2 3.41Å; A83-H93 WeakPolarHBondContact CA-O 3.26Å; A83-H93 WeakPolarHBondContact CB-O 3.36Å
84	T	98.6	Very high	97.6	Very high	32 Å²	32	54.1 Å²	54.1	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.5	176.2	-60.9	0	0	0	0	109.8	R86	T84-R86 HydrophobicContact CG2-CG 4Å; T84-R86 PolarHBondContact O-N 3.33Å
85	Y	98.4	Very high	97.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.			trans	-72.8	96.1	172	-174.4	162.4	0	0	0	109.2	Y44 P50 L52 A69 K71 D73 D74 K87	Y44-Y85 HydrophobicContact CE1-CD2 4.49Å; Y44-Y85 AromaticContact CE1-CE2 3.97Å; Y44-Y85 HydrophobicContact CE1-CE2 3.97Å; Y44-Y85 AromaticContact CZ-CE2 3.91Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.44Å; P50-Y85 VanDerWaalsContact CD-OH 3.29Å; P50-Y85 WeakPolarHBondContact CD-OH 3.17Å; P50-Y85 WeakPolarHBondContact O-CE1 3.49Å; P50-Y85 PolarHBondContact O-OH 2.86Å; L52-Y85 HydrophobicContact CD1-CD1 3.83Å; L52-Y85 HydrophobicContact CD1-CD2 3.56Å; L52-Y85 HydrophobicContact CD1-CE1 3.92Å; L52-Y85 HydrophobicContact CD1-CE2 3.7Å; L52-Y85 HydrophobicContact CD1-CG 3.66Å; L52-Y85 HydrophobicContact CG-CD1 4.26Å; L52-Y85 HydrophobicContact CG-CE1 4.13Å; A69-Y85 HydrophobicContact CB-CD1 4Å; A69-Y85 HydrophobicContact CB-CG 4.43Å; K71-Y85 VanDerWaalsContact C-CD1 3.48Å; K71-Y85 WeakPolarHBondContact O-CB 3.27Å; K71-Y85 WeakPolarHBondContact O-CD1 3.36Å; D73-Y85 WeakPolarHBondContact CA-O 3.24Å; D73-Y85 PolarHBondContact N-O 2.94Å; D74-Y85 PolarHBondContact O-N 2.82Å; Y85-K87 HydrophobicContact CE2-CB 4.37Å
86	R	98.1	Very high	97.7	Very high	125 Å²	125	49.9 Å²	49.9	47%	0.472	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-95	99.3	176.5	-63.1	-176.2	-179.4	-85.7	0.8	110.4	T84 T89 T90 S91	T84-R86 HydrophobicContact CG2-CG 4Å; T84-R86 PolarHBondContact O-N 3.33Å; R86-T89 WeakPolarHBondContact CB-OG1 3.32Å; R86-T90 WeakPolarHBondContact O-CA 3.2Å; R86-T90 PolarHBondContact O-N 3.3Å; R86-S91 PolarHBondContact N-O 2.89Å; R86-S91 PolarHBondContact O-N 3.04Å
87	K	95.7	Very high	97.9	Very high	72 Å²	72	52.1 Å²	52.1	31%	0.313	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-43.1	179.4	175.2	-178.6	150.3	177.4	0	112.7	Y49 A72 Y85 T89 T90	Y49-K87 HydrophobicContact CD1-CD 3.93Å; Y49-K87 HydrophobicContact CD1-CG 4.45Å; Y49-K87 HydrophobicContact CE1-CD 3.46Å; Y49-K87 VanDerWaalsContact CE1-CD 3.46Å; Y49-K87 HydrophobicContact CE1-CG 4.21Å; Y49-K87 VanDerWaalsContact CE1-NZ 3.3Å; Y49-K87 VanDerWaalsContact CZ-NZ 3.29Å; Y49-K87 PolarHBondContact OH-NZ 3.07Å; A72-K87 HydrophobicContact CB-CB 3.81Å; A72-K87 HydrophobicContact CB-CD 4.09Å; Y85-K87 HydrophobicContact CE2-CB 4.37Å; K87-T89 VanDerWaalsContact C-N 3.31Å; K87-T89 PolarHBondContact O-N 2.87Å; K87-T90 PolarHBondContact O-N 2.95Å; K87-T90 VanDerWaalsContact O-N 3.11Å
88	E	95.1	Very high	97.9	Very high	175 Å²	175	51 Å²	51	82%	0.818	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-36.7	-176	-60.7	-57.7	157	0	0	112.9
89	T	96.6	Very high	97.9	Very high	79 Å²	79	48.3 Å²	48.3	49%	0.485	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.5	177.4	54.1	0	0	0	0	112.8	R86 K87 S91	R86-T89 WeakPolarHBondContact CB-OG1 3.32Å; K87-T89 VanDerWaalsContact C-N 3.31Å; K87-T89 PolarHBondContact O-N 2.87Å; T89-S91 VanDerWaalsContact C-N 3.28Å; T89-S91 PolarHBondContact O-N 2.78Å; T89-S91 PolarHBondContact OG1-OG 3Å
90	T	97	Very high	97.9	Very high	63 Å²	63	48.3 Å²	48.3	39%	0.387	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	48.8	-175.1	55.5	0	0	0	0	112.5	T43 Y44 R86 K87	T43-T90 CarbonylContact C-O 3.51Å; T43-T90 WeakPolarHBondContact CA-O 3.44Å; T43-T90 WeakPolarHBondContact CB-O 3.32Å; Y44-T90 VanDerWaalsContact CD1-C 3.44Å; Y44-T90 VanDerWaalsContact CD1-O 3.27Å; Y44-T90 WeakPolarHBondContact CD1-O 3.27Å; Y44-T90 VanDerWaalsContact CE1-CA 3.48Å; Y44-T90 HydrophobicContact CE2-CG2 4.38Å; Y44-T90 PolarHBondContact N-O 3.11Å; Y44-T90 WeakPolarHBondContact O-CB 3.3Å; R86-T90 WeakPolarHBondContact O-CA 3.2Å; R86-T90 PolarHBondContact O-N 3.3Å; K87-T90 PolarHBondContact O-N 2.95Å; K87-T90 VanDerWaalsContact O-N 3.11Å
91	S	98	Very high	97.9	Very high	1 Å²	1	51 Å²	51	1%	0.007	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-135.9	155.8	-171.2	73.4	0	0	0	0	115.6	C42 R86 T89 H93	C42-S91 WeakPolarHBondContact O-CA 3.28Å; C42-S91 WeakPolarHBondContact O-CB 3.01Å; R86-S91 PolarHBondContact N-O 2.89Å; R86-S91 PolarHBondContact O-N 3.04Å; T89-S91 VanDerWaalsContact C-N 3.28Å; T89-S91 PolarHBondContact O-N 2.78Å; T89-S91 PolarHBondContact OG1-OG 3Å; S91-H93 VanDerWaalsContact CB-CE1 3.4Å; S91-H93 WeakPolarHBondContact CB-CE1 3.34Å; S91-H93 VanDerWaalsContact CB-NE2 3.25Å; S91-H93 WeakPolarHBondContact CB-NE2 3.4Å; S91-H93 PolarHBondContact OG-NE2 2.95Å; S91-H93 VanDerWaalsContact OG-NE2 3.11Å
92	F	98.3	Very high	97.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.			trans	-148.5	58.6	178.6	-166.1	-127.1	0	0	0	109.5	C42 L52 W54 L67 A69 A83	C42-F92 PolarHBondContact O-N 3.33Å; L52-F92 HydrophobicContact CB-CB 4.23Å; L52-F92 HydrophobicContact CB-CD1 3.6Å; L52-F92 HydrophobicContact CB-CD2 4.3Å; L52-F92 HydrophobicContact CB-CE1 3.92Å; L52-F92 HydrophobicContact CB-CG 3.81Å; L52-F92 HydrophobicContact CB-CZ 4.42Å; L52-F92 HydrophobicContact CD1-CB 3.71Å; L52-F92 HydrophobicContact CD1-CD2 4.35Å; L52-F92 HydrophobicContact CD1-CG 4.04Å; L52-F92 HydrophobicContact CG-CB 4.49Å; W54-F92 AromaticContact CD1-CD1 3.45Å; W54-F92 VanDerWaalsContact CD1-CD1 3.45Å; W54-F92 AromaticContact CD1-CE1 3.38Å; W54-F92 HydrophobicContact CG-CE1 4.37Å; W54-F92 AromaticContact NE1-CD1 3.51Å; W54-F92 AromaticContact NE1-CE1 3.95Å; W54-F92 PolarHBondContact NE1-O 2.96Å; L67-F92 HydrophobicContact CB-CZ 4.4Å; A69-F92 HydrophobicContact CB-CD2 4.41Å; A69-F92 HydrophobicContact CB-CE2 3.51Å; A69-F92 HydrophobicContact CB-CZ 3.68Å; A83-F92 HydrophobicContact CB-CD1 4.25Å; A83-F92 HydrophobicContact CB-CD2 3.78Å; A83-F92 HydrophobicContact CB-CE1 4.01Å; A83-F92 HydrophobicContact CB-CE2 3.48Å; A83-F92 VanDerWaalsContact CB-CE2 3.48Å; A83-F92 HydrophobicContact CB-CG 4.15Å; A83-F92 HydrophobicContact CB-CZ 3.61Å; A83-F92 WeakPolarHBondContact O-CE2 3.41Å
93	H	98.6	Very high	97.8	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.208	29%	0.287	C	S	.	.			trans	-63.6	137.7	-178.2	-48.5	-54.6	0	0	0	110.8	T39 I40 N41 C42 A83 S91	T39-H93 HydrophobicContact CG2-CB 4.28Å; I40-H93 WeakPolarHBondContact O-CA 3.05Å; N41-H93 WeakPolarHBondContact CA-ND1 3.41Å; C42-H93 PolarHBondContact N-ND1 2.9Å; C42-H93 PolarHBondContact O-ND1 2.94Å; A83-H93 WeakPolarHBondContact CA-O 3.26Å; A83-H93 WeakPolarHBondContact CB-O 3.36Å; S91-H93 VanDerWaalsContact CB-CE1 3.4Å; S91-H93 WeakPolarHBondContact CB-CE1 3.34Å; S91-H93 VanDerWaalsContact CB-NE2 3.25Å; S91-H93 WeakPolarHBondContact CB-NE2 3.4Å; S91-H93 PolarHBondContact OG-NE2 2.95Å; S91-H93 VanDerWaalsContact OG-NE2 3.11Å
94	L	98.7	Very high	97.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126	174.1	-170.1	67.3	0	0	0	109	T39 I40 W54 L66 L67 F81 Y107	T39-L94 CarbonylContact C-O 3.57Å; T39-L94 VanDerWaalsContact CA-O 3.29Å; T39-L94 WeakPolarHBondContact CA-O 3.24Å; I40-L94 HydrophobicContact CB-CB 4.22Å; I40-L94 HydrophobicContact CD1-CD2 4.27Å; I40-L94 PolarHBondContact N-O 2.94Å; I40-L94 PolarHBondContact O-N 2.76Å; W54-L94 HydrophobicContact CB-CD1 4.3Å; W54-L94 HydrophobicContact CD2-CB 3.93Å; W54-L94 HydrophobicContact CD2-CD1 4.21Å; W54-L94 HydrophobicContact CD2-CD2 4.12Å; W54-L94 HydrophobicContact CD2-CG 4.32Å; W54-L94 HydrophobicContact CE3-CB 4.41Å; W54-L94 HydrophobicContact CE3-CD2 4.06Å; W54-L94 HydrophobicContact CG-CB 4.4Å; W54-L94 HydrophobicContact CG-CD1 3.87Å; W54-L94 HydrophobicContact CG-CG 4.5Å; W54-L94 HydrophobicContact CH2-CB 4.12Å; W54-L94 HydrophobicContact CZ2-CB 3.62Å; W54-L94 HydrophobicContact CZ3-CB 4.49Å; W54-L94 HydrophobicContact CZ3-CD2 4.39Å; L66-L94 HydrophobicContact CD2-CD1 4.04Å; L66-L94 HydrophobicContact CD2-CD2 4.16Å; L67-L94 HydrophobicContact CD1-CD1 3.44Å; L67-L94 VanDerWaalsContact CD1-CD1 3.44Å; L67-L94 HydrophobicContact CG-CD1 4.32Å; F81-L94 HydrophobicContact CB-CD1 3.93Å; F81-L94 HydrophobicContact CD1-CD1 4.09Å; F81-L94 HydrophobicContact CD1-CD2 3.85Å; F81-L94 HydrophobicContact CD1-CG 3.84Å; F81-L94 HydrophobicContact CE1-CD2 4.23Å; F81-L94 HydrophobicContact CG-CD1 4.38Å; L94-Y107 HydrophobicContact CD2-CD1 3.43Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.43Å; L94-Y107 HydrophobicContact CD2-CE1 3.93Å; L94-Y107 HydrophobicContact CD2-CG 4.01Å
95	E	98.6	Very high	97.7	Very high	62 Å²	62	55.8 Å²	55.8	29%	0.29	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.3	-178.3	-65.6	174.4	162.6	0	0	110.4	F37 L38 T39 F81 E82	F37-E95 HydrophobicContact CZ-CB 4.2Å; F37-E95 HydrophobicContact CZ-CG 4.27Å; L38-E95 VanDerWaalsContact O-CA 3.28Å; L38-E95 WeakPolarHBondContact O-CA 3.38Å; T39-E95 HydrophobicContact CG2-CG 4.23Å; F81-E95 CarbonylContact C-O 3.5Å; F81-E95 VanDerWaalsContact CA-O 3.27Å; F81-E95 WeakPolarHBondContact CA-O 3.18Å; E82-E95 PolarHBondContact N-O 2.79Å; E82-E95 PolarHBondContact O-N 3.08Å
96	K	98.6	Very high	97.7	Very high	18 Å²	18	59.5 Å²	59.5	8%	0.078	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	129.8	168.2	177.8	159.4	-176.9	158.5	0	109.9	F37 L38 K79 F81 S98 V99 D103	F37-K96 WeakPolarHBondContact CD2-O 3.31Å; L38-K96 HydrophobicContact CB-CB 4.24Å; L38-K96 HydrophobicContact CD2-CB 4.37Å; L38-K96 PolarHBondContact N-O 3.05Å; L38-K96 PolarHBondContact O-N 2.84Å; K79-K96 PolarHBondContact O-NZ 3Å; F81-K96 HydrophobicContact CD1-CB 3.77Å; F81-K96 HydrophobicContact CD1-CD 4Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 4Å; F81-K96 HydrophobicContact CE1-CB 3.89Å; F81-K96 HydrophobicContact CE1-CD 3.7Å; F81-K96 HydrophobicContact CE1-CG 4.44Å; F81-K96 HydrophobicContact CE2-CD 3.68Å; F81-K96 HydrophobicContact CG-CB 4.39Å; F81-K96 HydrophobicContact CG-CD 4.14Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; K96-S98 WeakPolarHBondContact CE-O 3.23Å; K96-S98 PolarHBondContact O-N 3.01Å; K96-V99 HydrophobicContact CG-CG1 4.46Å; K96-D103 WeakPolarHBondContact CD-OD2 3.5Å; K96-D103 WeakPolarHBondContact CE-OD2 3.42Å; K96-D103 IonicContact NZ-OD1 2.66Å; K96-D103 PolarHBondContact NZ-OD1 2.87Å; K96-D103 IonicContact NZ-OD2 2.76Å; K96-D103 PolarHBondContact NZ-OD2 2.84Å
97	G	98.4	Very high	97.7	Very high	55 Å²	55	54.8 Å²	54.8	57%	0.567	32%	0.32	S	S	*	.	S	Bend	trans	-60.5	-41.8	-174.4	0	0	0	0	0	114.3
98	S	98	Very high	97.8	Very high	53 Å²	53	55.3 Å²	55.3	37%	0.371	32%	0.322	S	S	.	.	S	Bend	trans	-148.1	113	-177.1	164.8	0	0	0	0	107.6	E35 K96	E35-S98 WeakPolarHBondContact CA-OG 3.43Å; K96-S98 WeakPolarHBondContact CE-O 3.23Å; K96-S98 PolarHBondContact O-N 3.01Å
99	V	98.2	Very high	98	Very high	14 Å²	14	47.3 Å²	47.3	9%	0.085	29%	0.286	C	S	.	.			trans	-79.9	147	178.3	-64.7	0	0	0	0	111.8	L32 S33 E34 E35 A36 L38 K96	L32-V99 HydrophobicContact CB-CG2 4.18Å; L32-V99 HydrophobicContact CD1-CG1 4.41Å; S33-V99 VanDerWaalsContact O-CG2 3.27Å; S33-V99 WeakPolarHBondContact O-CG2 3.33Å; E34-V99 WeakPolarHBondContact CG-O 3.32Å; E35-V99 PolarHBondContact N-O 3.43Å; A36-V99 HydrophobicContact CB-CG2 4.25Å; A36-V99 WeakPolarHBondContact O-CG2 3.21Å; A36-V99 PolarHBondContact O-N 2.66Å; L38-V99 HydrophobicContact CB-CG1 3.46Å; L38-V99 VanDerWaalsContact CB-CG1 3.46Å; L38-V99 HydrophobicContact CD2-CG1 4.06Å; L38-V99 HydrophobicContact CG-CG1 4.33Å; K96-V99 HydrophobicContact CG-CG1 4.46Å
100	Q	98.1	Very high	98	Very high	103 Å²	103	45 Å²	45	48%	0.481	28%	0.275	S	S	.	.			trans	-116.6	160.1	172.8	-64.2	178.1	11.5	0	0	110.1	S102 D103	Q100-S102 WeakPolarHBondContact CB-OG 3.43Å; Q100-S102 PolarHBondContact O-N 3.37Å; Q100-S102 VanDerWaalsContact O-N 3.16Å; Q100-S102 PolarHBondContact OE1-OG 3.03Å; Q100-D103 PolarHBondContact N-OD2 2.91Å; Q100-D103 VanDerWaalsContact O-CB 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.45Å; Q100-D103 PolarHBondContact O-N 2.84Å
101	V	97.4	Very high	98	Very high	107 Å²	107	43.9 Å²	43.9	65%	0.648	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-56.7	-33.6	174.9	178.7	0	0	0	0	111.8	D103 S104	V101-D103 PolarHBondContact O-N 2.86Å; V101-S104 VanDerWaalsContact O-CB 3.27Å; V101-S104 WeakPolarHBondContact O-CB 3.41Å; V101-S104 PolarHBondContact O-N 2.9Å; V101-S104 VanDerWaalsContact O-N 3.08Å; V101-S104 PolarHBondContact O-OG 3.42Å
102	S	96.9	Very high	97.8	Very high	77 Å²	77	48.9 Å²	48.9	54%	0.538	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-65.4	-13.4	175.9	57.6	0	0	0	0	114.5	Q100	Q100-S102 WeakPolarHBondContact CB-OG 3.43Å; Q100-S102 PolarHBondContact O-N 3.37Å; Q100-S102 VanDerWaalsContact O-N 3.16Å; Q100-S102 PolarHBondContact OE1-OG 3.03Å
103	D	98	Very high	97.8	Very high	16 Å²	16	51.3 Å²	51.3	9%	0.086	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-82.1	-0.5	172.7	-64.5	-46.1	0	0	0	112.7	F81 K96 Q100 V101 A105 Y107	F81-D103 VanDerWaalsContact CE2-OD1 3.32Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.48Å; F81-D103 HydrophobicContact CZ-CB 3.96Å; K96-D103 WeakPolarHBondContact CD-OD2 3.5Å; K96-D103 WeakPolarHBondContact CE-OD2 3.42Å; K96-D103 IonicContact NZ-OD1 2.66Å; K96-D103 PolarHBondContact NZ-OD1 2.87Å; K96-D103 IonicContact NZ-OD2 2.76Å; K96-D103 PolarHBondContact NZ-OD2 2.84Å; Q100-D103 PolarHBondContact N-OD2 2.91Å; Q100-D103 VanDerWaalsContact O-CB 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.45Å; Q100-D103 PolarHBondContact O-N 2.84Å; V101-D103 PolarHBondContact O-N 2.86Å; D103-A105 PolarHBondContact O-N 2.87Å; D103-Y107 PolarHBondContact O-OH 2.89Å
104	S	97.6	Very high	97.8	Very high	76 Å²	76	51.6 Å²	51.6	53%	0.531	32%	0.322	S	S	.	.			trans	-66.8	104.5	177.9	-58.8	0	0	0	0	110.9	P59 V101	P59-S104 WeakPolarHBondContact CD-O 3.35Å; V101-S104 VanDerWaalsContact O-CB 3.27Å; V101-S104 WeakPolarHBondContact O-CB 3.41Å; V101-S104 PolarHBondContact O-N 2.9Å; V101-S104 VanDerWaalsContact O-N 3.08Å; V101-S104 PolarHBondContact O-OG 3.42Å
105	A	97.8	Very high	97.7	Very high	30 Å²	30	54.5 Å²	54.5	25%	0.248	34%	0.339	C	S	.	.	S	Bend	trans	-158.5	173.7	-176.6	0	0	0	0	0	111.3	V56 Q57 Y58 D103 Y107	V56-A105 HydrophobicContact CG2-CB 3.55Å; Q57-A105 WeakPolarHBondContact O-CB 3.29Å; Y58-A105 HydrophobicContact CD1-CB 3.7Å; Y58-A105 HydrophobicContact CE1-CB 4Å; Y58-A105 HydrophobicContact CG-CB 4.32Å; D103-A105 PolarHBondContact O-N 2.87Å; A105-Y107 HydrophobicContact CB-CD2 4.45Å; A105-Y107 HydrophobicContact CB-CE2 3.8Å; A105-Y107 WeakPolarHBondContact O-CD2 3.42Å
106	V	97.7	Very high	97.7	Very high	78 Å²	78	54.1 Å²	54.1	47%	0.473	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.7	167.3	-171.1	0	0	0	0	109.1	V56 Q57 F108	V56-V106 CarbonylContact C-O 3.6Å; V56-V106 WeakPolarHBondContact CA-O 3.09Å; Q57-V106 HydrophobicContact CB-CB 4.49Å; Q57-V106 PolarHBondContact N-O 3.12Å; Q57-V106 PolarHBondContact O-N 2.84Å; V106-F108 HydrophobicContact CB-CE2 3.92Å; V106-F108 HydrophobicContact CB-CZ 4.15Å; V106-F108 HydrophobicContact CG1-CD2 4.21Å; V106-F108 HydrophobicContact CG1-CE1 3.95Å; V106-F108 HydrophobicContact CG1-CE2 3.48Å; V106-F108 VanDerWaalsContact CG1-CE2 3.48Å; V106-F108 HydrophobicContact CG1-CZ 3.34Å
107	Y	98.2	Very high	97.6	Very high	26 Å²	26	56.3 Å²	56.3	10%	0.102	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126	-178.1	-66.4	-94.2	0	0	0	110.7	Q25 I40 Y55 V56 L66 F81 L94 D103 A105	Q25-Y107 PolarHBondContact NE2-O 3.14Å; I40-Y107 HydrophobicContact CD1-CD2 4.07Å; I40-Y107 HydrophobicContact CD1-CG 4.1Å; Y55-Y107 CarbonylContact O-C 3.56Å; Y55-Y107 WeakPolarHBondContact O-CA 3.03Å; V56-Y107 HydrophobicContact CB-CD1 4.09Å; V56-Y107 HydrophobicContact CB-CE1 3.99Å; V56-Y107 HydrophobicContact CG2-CD1 3.97Å; V56-Y107 HydrophobicContact CG2-CE1 3.55Å; V56-Y107 HydrophobicContact CG2-CE2 4.46Å; L66-Y107 HydrophobicContact CD2-CD1 3.97Å; L66-Y107 HydrophobicContact CD2-CE1 3.78Å; F81-Y107 HydrophobicContact CD1-CE1 4.46Å; F81-Y107 AromaticContact CE1-CE1 3.91Å; F81-Y107 HydrophobicContact CE1-CE1 3.91Å; F81-Y107 AromaticContact CE1-CZ 3.94Å; F81-Y107 HydrophobicContact CE2-CE1 4.38Å; F81-Y107 AromaticContact CZ-CE1 3.89Å; F81-Y107 HydrophobicContact CZ-CE1 3.89Å; F81-Y107 AromaticContact CZ-CZ 3.68Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.37Å; L94-Y107 HydrophobicContact CD2-CD1 3.43Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.43Å; L94-Y107 HydrophobicContact CD2-CE1 3.93Å; L94-Y107 HydrophobicContact CD2-CG 4.01Å; D103-Y107 PolarHBondContact O-OH 2.89Å; A105-Y107 HydrophobicContact CB-CD2 4.45Å; A105-Y107 HydrophobicContact CB-CE2 3.8Å; A105-Y107 WeakPolarHBondContact O-CD2 3.42Å
108	F	98.1	Very high	97.6	Very high	83 Å²	83	56.4 Å²	56.4	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.2	-177.8	-57.5	-89.2	0	0	0	110.4	W54 Y55 Q57 L63 V106	W54-F108 CarbonylContact C-O 3.51Å; W54-F108 WeakPolarHBondContact CA-O 3.37Å; W54-F108 VanDerWaalsContact CE3-C 3.45Å; Y55-F108 PolarHBondContact N-O 3.49Å; Y55-F108 PolarHBondContact O-N 3.37Å; Q57-F108 HydrophobicContact CB-CE2 4.1Å; L63-F108 HydrophobicContact CD1-CD2 3.52Å; L63-F108 HydrophobicContact CD1-CE2 3.79Å; L63-F108 HydrophobicContact CD1-CG 4.48Å; V106-F108 HydrophobicContact CB-CE2 3.92Å; V106-F108 HydrophobicContact CB-CZ 4.15Å; V106-F108 HydrophobicContact CG1-CD2 4.21Å; V106-F108 HydrophobicContact CG1-CE1 3.95Å; V106-F108 HydrophobicContact CG1-CE2 3.48Å; V106-F108 VanDerWaalsContact CG1-CE2 3.48Å; V106-F108 HydrophobicContact CG1-CZ 3.34Å
109	C	98.3	Very high	97.5	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.054	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	142	168.7	-167.4	0	0	0	0	108.3	V23 Q25 C42 F53 W54	V23-C109 WeakPolarHBondContact CG2-O 3.38Å; Q25-C109 HydrophobicContact CG-CB 3.52Å; Q25-C109 PolarHBondContact OE1-O 3.16Å; C42-C109 HydrophobicContact CB-CB 3.57Å; C42-C109 WeakPolarHBondContact CB-SG 3.29Å; C42-C109 WeakPolarHBondContact SG-CB 2.99Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 2.81Å; F53-C109 WeakPolarHBondContact O-CA 3.13Å; W54-C109 HydrophobicContact CD2-CB 4.26Å; W54-C109 HydrophobicContact CE3-CB 4.18Å; W54-C109 HydrophobicContact CH2-CB 3.82Å; W54-C109 HydrophobicContact CZ2-CB 3.87Å; W54-C109 HydrophobicContact CZ3-CB 3.97Å
110	A	97.9	Very high	97.5	Very high	30 Å²	30	59.9 Å²	59.9	25%	0.248	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.2	177.5	0	0	0	0	0	110.9	F53 Y55	F53-A110 HydrophobicContact CB-CB 4.38Å; F53-A110 PolarHBondContact N-O 2.95Å; F53-A110 PolarHBondContact O-N 3.24Å; Y55-A110 HydrophobicContact CD2-CB 4.33Å; Y55-A110 HydrophobicContact CE2-CB 4.13Å
111	L	97.2	Very high	97.5	Very high	39 Å²	39	56.3 Å²	56.3	20%	0.204	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.3	176.4	81.1	99	0	0	0	110.4	D21 S22 V23 P50 S51 L52	D21-L111 HydrophobicContact CB-CD1 3.58Å; D21-L111 HydrophobicContact CB-CD2 4.36Å; S22-L111 WeakPolarHBondContact O-CD2 3.48Å; V23-L111 HydrophobicContact CG1-CB 4.1Å; V23-L111 HydrophobicContact CG1-CD2 3.58Å; V23-L111 HydrophobicContact CG1-CG 4.3Å; P50-L111 HydrophobicContact CB-CB 4.09Å; P50-L111 HydrophobicContact CB-CD1 3.76Å; P50-L111 HydrophobicContact CG-CD1 4.42Å; S51-L111 CarbonylContact O-C 3.59Å; S51-L111 VanDerWaalsContact O-CA 3.23Å; S51-L111 WeakPolarHBondContact O-CA 3.36Å; L52-L111 HydrophobicContact CD2-CB 3.77Å
112	S	94.4	Very high	97.5	Very high	106 Å²	106	51.7 Å²	51.7	74%	0.741	33%	0.326	S	S	*	.			trans	-142.2	0	172.1	73.7	0	0	0	0	112.4	P50 S51 F53	P50-S112 CarbonylContact C-O 3.51Å; P50-S112 WeakPolarHBondContact CA-O 3.2Å; S51-S112 PolarHBondContact N-O 3.26Å; S51-S112 PolarHBondContact O-N 2.81Å; F53-S112 WeakPolarHBondContact CE2-OG 3.44Å

Retrieved 112 of 112 residues in 55.2 ms (Link to these results)

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