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T cell receptor beta variable 18

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 A0A087X0M5, Species HUMAN (Homo sapiens, Human), Gene TRBV18, Length 115 aa.

						>TVB18_HUMAN|A0A087X0M5|TRBV18
MDTRLLCCAVICLLGAGLSNAGVMQNPRHLVRRRGQEARLRCSPMKGHSHVYWYRQLPEEGLKFMVYLQKENIIDESGMPKERFSAEFPKEGPSILRIQQVVRGDSAAYFCASSP
					

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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	51.7	Low	68.5	Low	237 Å²	237	118.9 Å²	118.9	100%	1.167	64%	0.64	S	S	*	*				0	96	0	-90.6	154.9	62.8	0	0	107
2	D	62	Low	68.8	Low	105 Å²	105	116.9 Å²	116.9	56%	0.561	64%	0.64	S	S	*	*			trans	-67.1	130	-150.3	-73.6	-60.6	0	0	0	114.9	R4 L5	D2-R4 HydrophobicContact CB-CB 4.08Å; D2-R4 HydrophobicContact CB-CG 4.48Å; D2-R4 PolarHBondContact O-N 3.38Å; D2-L5 PolarHBondContact O-N 3.02Å
3	T	68.4	Low	68.7	Low	115 Å²	115	118.7 Å²	118.7	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-45.3	-21.7	162.1	25.6	0	0	0	0	113.6	L6 C7	T3-L6 PolarHBondContact O-N 2.91Å; T3-C7 PolarHBondContact O-N 3.04Å; T3-C7 VanDerWaalsContact O-N 3.11Å
4	R	70.2	Confident	68.7	Low	202 Å²	202	120 Å²	120	76%	0.762	65%	0.652	S	S	*	*	H	α-helix	trans	-61.5	-40.3	173.3	-67.5	-168.4	172.3	-162.8	-0.9	113.7	D2 C7 C8	D2-R4 HydrophobicContact CB-CB 4.08Å; D2-R4 HydrophobicContact CB-CG 4.48Å; D2-R4 PolarHBondContact O-N 3.38Å; R4-C7 PolarHBondContact O-N 3.04Å; R4-C8 PolarHBondContact O-N 2.94Å; R4-C8 VanDerWaalsContact O-N 3.1Å; R4-C8 PolarHBondContact O-SG 3.47Å; R4-C8 VanDerWaalsContact O-SG 3.41Å
5	L	68.2	Low	68.3	Low	135 Å²	135	116.3 Å²	116.3	71%	0.707	65%	0.653	S	S	*	*	H	α-helix	trans	-65.3	-41.8	178.8	-87.7	143.4	0	0	0	111.5	D2 C8 A9	D2-L5 PolarHBondContact O-N 3.02Å; L5-C8 PolarHBondContact O-N 3.21Å; L5-A9 PolarHBondContact O-N 2.81Å; L5-A9 VanDerWaalsContact O-N 3.11Å
6	L	66.8	Low	67.8	Low	124 Å²	124	114.1 Å²	114.1	65%	0.649	65%	0.654	S	S	*	*	H	α-helix	trans	-61.7	-43.2	175	-85.9	144.4	0	0	0	111.5	T3 A9 V10	T3-L6 PolarHBondContact O-N 2.91Å; L6-A9 PolarHBondContact O-N 3.39Å; L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 3.05Å; L6-V10 VanDerWaalsContact O-N 3.12Å
7	C	74.9	Confident	67.3	Low	72 Å²	72	110.6 Å²	110.6	49%	0.486	65%	0.649	S	S	.	*	H	α-helix	trans	-63.4	-44.3	179	-160.8	0	0	0	0	112.2	T3 R4 A9 V10 I11	T3-C7 PolarHBondContact O-N 3.04Å; T3-C7 VanDerWaalsContact O-N 3.11Å; R4-C7 PolarHBondContact O-N 3.04Å; C7-A9 PolarHBondContact O-N 3.5Å; C7-V10 PolarHBondContact O-N 2.97Å; C7-I11 WeakPolarHBondContact O-CG1 3.29Å; C7-I11 PolarHBondContact O-N 3.32Å
8	C	73.9	Confident	66.8	Low	78 Å²	78	114.1 Å²	114.1	53%	0.527	66%	0.663	S	S	.	*	H	α-helix	trans	-61.5	-42.6	176.2	-68	0	0	0	0	112.3	R4 L5 V10 I11 C12	R4-C8 PolarHBondContact O-N 2.94Å; R4-C8 VanDerWaalsContact O-N 3.1Å; R4-C8 PolarHBondContact O-SG 3.47Å; R4-C8 VanDerWaalsContact O-SG 3.41Å; L5-C8 PolarHBondContact O-N 3.21Å; C8-V10 VanDerWaalsContact C-N 3.34Å; C8-V10 PolarHBondContact O-N 3.16Å; C8-I11 PolarHBondContact O-N 3.28Å; C8-C12 WeakPolarHBondContact O-CB 3.28Å; C8-C12 PolarHBondContact O-N 2.77Å; C8-C12 PolarHBondContact O-SG 3.39Å
9	A	74.7	Confident	66.3	Low	53 Å²	53	113.8 Å²	113.8	44%	0.438	67%	0.668	S	S	.	*	H	α-helix	trans	-61.7	-41.2	178.1	0	0	0	0	0	112.1	L5 L6 C7 C12 L13	L5-A9 PolarHBondContact O-N 2.81Å; L5-A9 VanDerWaalsContact O-N 3.11Å; L6-A9 PolarHBondContact O-N 3.39Å; C7-A9 PolarHBondContact O-N 3.5Å; A9-C12 PolarHBondContact O-N 2.96Å; A9-L13 VanDerWaalsContact O-CG 3.32Å; A9-L13 WeakPolarHBondContact O-CG 3.14Å; A9-L13 PolarHBondContact O-N 2.7Å
10	V	73.2	Confident	66.2	Low	81 Å²	81	114.2 Å²	114.2	49%	0.491	67%	0.667	S	S	.	*	H	α-helix	trans	-65.6	-43.9	176.6	175.3	0	0	0	0	111.4	L6 C7 C8 C12 L13 L14	L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 3.05Å; L6-V10 VanDerWaalsContact O-N 3.12Å; C7-V10 PolarHBondContact O-N 2.97Å; C8-V10 VanDerWaalsContact C-N 3.34Å; C8-V10 PolarHBondContact O-N 3.16Å; V10-C12 PolarHBondContact O-N 3.24Å; V10-L13 PolarHBondContact O-N 3.35Å; V10-L14 HydrophobicContact CG1-CD1 3.83Å; V10-L14 HydrophobicContact CG1-CG 4.5Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 2.9Å
11	I	70.2	Confident	66.3	Low	106 Å²	106	112.2 Å²	112.2	54%	0.544	66%	0.664	S	S	.	*	H	α-helix	trans	-62.5	-42.4	177.3	-67.1	165.9	0	0	0	111.1	C7 C8 L13 L14 G15	C7-I11 WeakPolarHBondContact O-CG1 3.29Å; C7-I11 PolarHBondContact O-N 3.32Å; C8-I11 PolarHBondContact O-N 3.28Å; I11-L13 PolarHBondContact O-N 2.76Å; I11-L14 PolarHBondContact O-N 2.88Å; I11-G15 PolarHBondContact O-N 2.78Å
12	C	71.9	Confident	68.1	Low	95 Å²	95	101.2 Å²	101.2	64%	0.642	61%	0.612	S	S	*	*	H	α-helix	trans	-64.4	-39.2	177.3	-69.9	0	0	0	0	112.4	C8 A9 V10 G15 A16	C8-C12 WeakPolarHBondContact O-CB 3.28Å; C8-C12 PolarHBondContact O-N 2.77Å; C8-C12 PolarHBondContact O-SG 3.39Å; A9-C12 PolarHBondContact O-N 2.96Å; V10-C12 PolarHBondContact O-N 3.24Å; C12-G15 PolarHBondContact O-N 3.06Å; C12-A16 PolarHBondContact O-N 2.99Å
13	L	67.3	Low	69.7	Low	140 Å²	140	97.7 Å²	97.7	73%	0.733	59%	0.594	S	S	*	*	H	α-helix	trans	-70	-33.8	177.3	-72.7	166.9	0	0	0	112.4	A9 V10 I11	A9-L13 VanDerWaalsContact O-CG 3.32Å; A9-L13 WeakPolarHBondContact O-CG 3.14Å; A9-L13 PolarHBondContact O-N 2.7Å; V10-L13 PolarHBondContact O-N 3.35Å; I11-L13 PolarHBondContact O-N 2.76Å
14	L	67.9	Low	71	Confident	137 Å²	137	98.3 Å²	98.3	72%	0.717	59%	0.59	S	S	*	*	H	α-helix	trans	-73.4	-30.8	173.7	-71.9	165.1	0	0	0	112.6	V10 I11 A16	V10-L14 HydrophobicContact CG1-CD1 3.83Å; V10-L14 HydrophobicContact CG1-CG 4.5Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 2.9Å; I11-L14 PolarHBondContact O-N 2.88Å; L14-A16 VanDerWaalsContact C-N 3.33Å
15	G	63.9	Low	72.3	Confident	65 Å²	65	92.1 Å²	92.1	67%	0.67	57%	0.57	S	S	*	*	H	α-helix	trans	-75.9	-17.2	178.1	0	0	0	0	0	114.4	I11 C12 G17	I11-G15 PolarHBondContact O-N 2.78Å; C12-G15 PolarHBondContact O-N 3.06Å; G15-G17 PolarHBondContact O-N 2.85Å
16	A	60	Low	73.6	Confident	80 Å²	80	89.7 Å²	89.7	66%	0.661	56%	0.558	S	S	*	*	S	Bend	trans	-73.3	63.5	167.5	0	0	0	0	0	109.7	C12 L14	C12-A16 PolarHBondContact O-N 2.99Å; L14-A16 VanDerWaalsContact C-N 3.33Å
17	G	59	Low	75.1	Confident	55 Å²	55	85.8 Å²	85.8	57%	0.567	54%	0.54	S	S	*	.			trans	-53.2	148.8	171.5	0	0	0	0	0	109.7	G15 S19	G15-G17 PolarHBondContact O-N 2.85Å; G17-S19 PolarHBondContact O-N 2.94Å
18	L	57.6	Low	76.1	Confident	174 Å²	174	92.9 Å²	92.9	91%	0.911	56%	0.556	S	S	*	*			trans	-46.5	111.7	173.4	-77	82.1	0	0	0	107.5	N20	L18-N20 PolarHBondContact O-N 2.98Å
19	S	57.5	Low	77.2	Confident	108 Å²	108	96.6 Å²	96.6	76%	0.755	57%	0.566	S	S	*	*			trans	-52.1	122.2	171.2	44.3	0	0	0	0	106	G17 A21	G17-S19 PolarHBondContact O-N 2.94Å; S19-A21 PolarHBondContact O-N 3.15Å
20	N	64.9	Low	78.3	Confident	122 Å²	122	96.5 Å²	96.5	65%	0.652	56%	0.558	S	S	*	*			trans	-64	96	176.7	-178.6	2.8	0	0	0	106.3	L18 G22 M45	L18-N20 PolarHBondContact O-N 2.98Å; N20-G22 PolarHBondContact O-N 3Å; N20-G22 PolarHBondContact OD1-N 3.37Å; N20-M45 PolarHBondContact ND2-SD 3.44Å
21	A	69	Low	79.5	Confident	73 Å²	73	98.8 Å²	98.8	60%	0.603	57%	0.571	S	S	*	*			trans	-64.7	2.9	-175.8	0	0	0	0	0	112.8	S19 V23	S19-A21 PolarHBondContact O-N 3.15Å; A21-V23 PolarHBondContact O-N 3.3Å; A21-V23 VanDerWaalsContact O-N 3.11Å
22	G	88.3	Confident	80.8	Confident	6 Å²	6	99.4 Å²	99.4	6%	0.062	57%	0.567	C	S	.	*	S	Bend	trans	71.4	-1.3	-177.6	0	0	0	0	0	113.1	N20 P44 M45 S113	N20-G22 PolarHBondContact O-N 3Å; N20-G22 PolarHBondContact OD1-N 3.37Å; G22-P44 CarbonylContact O-C 3.55Å; G22-P44 WeakPolarHBondContact O-CA 3.41Å; G22-M45 WeakPolarHBondContact O-CB 3.46Å; G22-M45 PolarHBondContact O-N 3.35Å; G22-S113 PolarHBondContact O-OG 3.48Å
23	V	95.3	Very high	82	Confident	31 Å²	31	104.3 Å²	104.3	19%	0.188	57%	0.572	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-144.7	152.1	-177.8	-61.7	0	0	0	0	112.2	A21 S43 P44 S113	A21-V23 PolarHBondContact O-N 3.3Å; A21-V23 VanDerWaalsContact O-N 3.11Å; V23-S43 CarbonylContact C-O 3.33Å; V23-S43 WeakPolarHBondContact CA-O 3.38Å; V23-P44 HydrophobicContact CG1-CB 4.5Å; V23-S113 WeakPolarHBondContact CG1-OG 3.24Å
24	M	96.1	Very high	83.5	Confident	128 Å²	128	108.1 Å²	108.1	63%	0.631	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.4	118.7	165.8	178.7	-176.9	63.5	0	0	109.4	S43	M24-S43 PolarHBondContact N-O 3.13Å; M24-S43 PolarHBondContact O-N 3.48Å
25	Q	97	Very high	84.9	Confident	71 Å²	71	102.8 Å²	102.8	33%	0.332	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	138.6	179	-70	-170.7	-82.4	0	0	112.9	R41 C42 Y109 C111	Q25-R41 CarbonylContact C-O 3.54Å; Q25-R41 VanDerWaalsContact CA-O 3.26Å; Q25-R41 WeakPolarHBondContact CA-O 3.49Å; Q25-C42 HydrophobicContact CG-CB 4.44Å; Q25-Y109 PolarHBondContact NE2-O 2.66Å; Q25-C111 HydrophobicContact CG-CB 4.34Å; Q25-C111 WeakPolarHBondContact CG-SG 3.41Å
26	N	97.1	Very high	86.5	Confident	84 Å²	84	104 Å²	104	45%	0.449	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.7	178.9	-179.1	30	0	0	0	111.2	R41	N26-R41 PolarHBondContact N-O 2.69Å; N26-R41 WeakPolarHBondContact O-CB 3.42Å; N26-R41 PolarHBondContact O-N 3.27Å
27	P	97.7	Very high	88.3	Confident	42 Å²	42	104 Å²	104	27%	0.273	53%	0.529	S	S	.	.			cis	-77.6	158.8	-9.5	34.5	-36.1	0	0	0	113.1	H29 L30	P27-H29 VanDerWaalsContact C-N 3.3Å; P27-H29 WeakPolarHBondContact CB-O 3.41Å; P27-L30 HydrophobicContact CG-CB 3.97Å; P27-L30 HydrophobicContact CG-CD1 4.01Å; P27-L30 HydrophobicContact CG-CG 4.42Å
28	R	95.5	Very high	90.2	Very high	222 Å²	222	101.8 Å²	101.8	84%	0.838	51%	0.505	S	S	*	.	S	Bend	trans	-64.2	-37.5	173.3	-175.9	-177.4	-72.8	-162.6	-2.3	111.7
29	H	96.9	Very high	92.1	Very high	156 Å²	156	99 Å²	99	72%	0.722	48%	0.483	S	S	*	.	S	Bend	trans	-131.3	135.1	176.5	-53.6	101.8	0	0	0	108.9	P27	P27-H29 VanDerWaalsContact C-N 3.3Å; P27-H29 WeakPolarHBondContact CB-O 3.41Å
30	L	97.7	Very high	94.1	Very high	51 Å²	51	94.9 Å²	94.9	27%	0.267	45%	0.452	S	S	.	.			trans	-131	117.7	-179.8	-175.2	56.8	0	0	0	109.7	P27 R32 A38 L40	P27-L30 HydrophobicContact CG-CB 3.97Å; P27-L30 HydrophobicContact CG-CD1 4.01Å; P27-L30 HydrophobicContact CG-CG 4.42Å; L30-R32 HydrophobicContact CD1-CG 4.29Å; L30-R32 VanDerWaalsContact CD1-NH1 3.34Å; L30-R32 HydrophobicContact CG-CG 4.2Å; L30-A38 HydrophobicContact CD2-CB 3.66Å; L30-L40 HydrophobicContact CB-CD2 4.38Å; L30-L40 HydrophobicContact CD2-CD2 3.92Å; L30-L40 HydrophobicContact CD2-CG 4.38Å
31	V	97.8	Very high	95.7	Very high	128 Å²	128	94.7 Å²	94.7	78%	0.776	44%	0.442	S	S	*	.			trans	-110.3	128.8	173.2	-177	0	0	0	0	108.6
32	R	97.9	Very high	97.1	Very high	120 Å²	120	91.2 Å²	91.2	45%	0.453	41%	0.413	S	S	.	.			trans	-135.5	142.1	179.1	-72.8	-65.6	178.2	-98.7	7.2	110.2	L30 Q36 E37 A38 V101	L30-R32 HydrophobicContact CD1-CG 4.29Å; L30-R32 VanDerWaalsContact CD1-NH1 3.34Å; L30-R32 HydrophobicContact CG-CG 4.2Å; R32-Q36 HydrophobicContact CB-CB 4.34Å; R32-E37 VanDerWaalsContact CD-O 3.24Å; R32-E37 WeakPolarHBondContact CD-O 3.12Å; R32-E37 PolarHBondContact NE-O 2.93Å; R32-A38 HydrophobicContact CG-CB 4.17Å; R32-V101 HydrophobicContact CB-CG2 3.78Å
33	R	97.8	Very high	97.5	Very high	197 Å²	197	92.5 Å²	92.5	74%	0.743	42%	0.422	S	S	*	.			trans	-73.2	151.1	170.6	-63.5	-177.4	179.3	-179.3	-0	108.8	G35 Q36 V101	R33-G35 PolarHBondContact O-N 2.8Å; R33-Q36 HydrophobicContact CB-CG 4.13Å; R33-Q36 VanDerWaalsContact O-CB 3.28Å; R33-Q36 WeakPolarHBondContact O-CB 3.42Å; R33-Q36 WeakPolarHBondContact O-CG 3.38Å; R33-Q36 PolarHBondContact O-N 2.87Å; R33-V101 WeakPolarHBondContact O-CG2 3.47Å
34	R	97.7	Very high	97.6	Very high	220 Å²	220	92.3 Å²	92.3	83%	0.83	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	135.8	173.8	-178.2	-179.2	175.4	179.5	-1.4	110.4	Q36 V101	R34-Q36 VanDerWaalsContact C-N 3.25Å; R34-Q36 PolarHBondContact O-N 2.82Å; R34-V101 CarbonylContact C-O 3.57Å; R34-V101 VanDerWaalsContact CA-O 3.29Å; R34-V101 WeakPolarHBondContact CA-O 3.35Å
35	G	97.7	Very high	97.4	Very high	26 Å²	26	90 Å²	90	27%	0.268	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-8.8	-179.4	0	0	0	0	0	115	R33 Q100 V101	R33-G35 PolarHBondContact O-N 2.8Å; G35-Q100 PolarHBondContact O-NE2 2.89Å; G35-Q100 PolarHBondContact O-OE1 2.87Å; G35-V101 PolarHBondContact N-O 3.01Å
36	Q	98.3	Very high	97.2	Very high	89 Å²	89	96.4 Å²	96.4	42%	0.416	44%	0.436	S	S	.	.	S	Bend	trans	-77.9	164.2	171.1	-64.7	-174.4	-35	0	0	111.5	R32 R33 R34 V101	R32-Q36 HydrophobicContact CB-CB 4.34Å; R33-Q36 HydrophobicContact CB-CG 4.13Å; R33-Q36 VanDerWaalsContact O-CB 3.28Å; R33-Q36 WeakPolarHBondContact O-CB 3.42Å; R33-Q36 WeakPolarHBondContact O-CG 3.38Å; R33-Q36 PolarHBondContact O-N 2.87Å; R34-Q36 VanDerWaalsContact C-N 3.25Å; R34-Q36 PolarHBondContact O-N 2.82Å; Q36-V101 WeakPolarHBondContact O-CG1 3.44Å; Q36-V101 WeakPolarHBondContact O-CG2 3.47Å; Q36-V101 PolarHBondContact O-N 3.14Å
37	E	98.2	Very high	97	Very high	81 Å²	81	95.4 Å²	95.4	38%	0.379	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-84	136.2	170.4	-171.5	-176.1	77	0	0	111	R32 R39 I98	R32-E37 VanDerWaalsContact CD-O 3.24Å; R32-E37 WeakPolarHBondContact CD-O 3.12Å; R32-E37 PolarHBondContact NE-O 2.93Å; E37-R39 HydrophobicContact CG-CG 4.11Å; E37-R39 WeakPolarHBondContact OE1-CD 3.45Å; E37-R39 VanDerWaalsContact OE1-CG 3.24Å; E37-R39 WeakPolarHBondContact OE1-CG 3.49Å; E37-I98 WeakPolarHBondContact CA-O 3.38Å
38	A	98.3	Very high	96.9	Very high	8 Å²	8	94.5 Å²	94.5	7%	0.066	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.4	163.6	0	0	0	0	0	110.1	L30 R32 R97 I98 V101	L30-A38 HydrophobicContact CD2-CB 3.66Å; R32-A38 HydrophobicContact CG-CB 4.17Å; A38-R97 WeakPolarHBondContact O-CA 3.24Å; A38-I98 HydrophobicContact CB-CB 4.2Å; A38-I98 HydrophobicContact CB-CD1 4.41Å; A38-I98 HydrophobicContact CB-CG1 4.4Å; A38-I98 PolarHBondContact N-O 2.83Å; A38-I98 PolarHBondContact O-N 3.41Å; A38-V101 HydrophobicContact CB-CG1 3.64Å
39	R	98.4	Very high	96.9	Very high	117 Å²	117	85.3 Å²	85.3	44%	0.442	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.1	175.3	-61.4	179.6	73.7	164.9	-1.1	109.2	E37 L96 R97	E37-R39 HydrophobicContact CG-CG 4.11Å; E37-R39 WeakPolarHBondContact OE1-CD 3.45Å; E37-R39 VanDerWaalsContact OE1-CG 3.24Å; E37-R39 WeakPolarHBondContact OE1-CG 3.49Å; R39-L96 WeakPolarHBondContact CA-O 3.37Å; R39-R97 HydrophobicContact CG-CG 4.27Å
40	L	98.6	Very high	96.9	Very high	20 Å²	20	79.1 Å²	79.1	11%	0.105	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.5	174.4	-62.7	168.3	0	0	0	108.6	L30 W53 I95 L96 Y109	L30-L40 HydrophobicContact CB-CD2 4.38Å; L30-L40 HydrophobicContact CD2-CD2 3.92Å; L30-L40 HydrophobicContact CD2-CG 4.38Å; L40-W53 HydrophobicContact CB-CH2 3.81Å; L40-W53 HydrophobicContact CB-CZ3 4.01Å; L40-I95 WeakPolarHBondContact O-CA 3.22Å; L40-L96 HydrophobicContact CB-CB 4.37Å; L40-L96 HydrophobicContact CD1-CD2 4.21Å; L40-L96 PolarHBondContact N-O 2.93Å; L40-L96 PolarHBondContact O-N 3.11Å; L40-Y109 VanDerWaalsContact CD1-CB 3.45Å; L40-Y109 HydrophobicContact CD1-CD1 4.21Å; L40-Y109 HydrophobicContact CD1-CD2 3.86Å; L40-Y109 HydrophobicContact CD1-CG 3.58Å
41	R	98.5	Very high	97	Very high	118 Å²	118	76.7 Å²	76.7	45%	0.445	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.8	-178.4	-51	-178.6	65.9	-163.8	1.1	109.4	Q25 N26 P93 S94 I95	Q25-R41 CarbonylContact C-O 3.54Å; Q25-R41 VanDerWaalsContact CA-O 3.26Å; Q25-R41 WeakPolarHBondContact CA-O 3.49Å; N26-R41 PolarHBondContact N-O 2.69Å; N26-R41 WeakPolarHBondContact O-CB 3.42Å; N26-R41 PolarHBondContact O-N 3.27Å; R41-P93 HydrophobicContact CB-CB 4.49Å; R41-S94 WeakPolarHBondContact CA-O 3.4Å; R41-I95 HydrophobicContact CB-CD1 4.09Å; R41-I95 HydrophobicContact CG-CD1 3.63Å
42	C	98.1	Very high	97	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.9	172.7	179.7	0	0	0	0	109.1	Q25 P44 W53 P93 S94 C111	Q25-C42 HydrophobicContact CG-CB 4.44Å; C42-P44 WeakPolarHBondContact O-CD 3.41Å; C42-W53 HydrophobicContact CB-CH2 3.61Å; C42-W53 HydrophobicContact CB-CZ2 3.31Å; C42-P93 CarbonylContact O-C 2.75Å; C42-P93 VanDerWaalsContact O-CA 3.22Å; C42-P93 WeakPolarHBondContact O-CA 3.34Å; C42-P93 VanDerWaalsContact O-CB 3.24Å; C42-P93 WeakPolarHBondContact O-CB 3.43Å; C42-S94 PolarHBondContact N-O 2.92Å; C42-S94 PolarHBondContact O-N 3.13Å; C42-C111 HydrophobicContact CB-CB 3.56Å; C42-C111 WeakPolarHBondContact CB-SG 3.46Å; C42-C111 WeakPolarHBondContact SG-CB 3.4Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 3.12Å
43	S	97.3	Very high	97	Very high	34 Å²	34	67.5 Å²	67.5	24%	0.238	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	104.8	177.4	-45.6	0	0	0	0	108.3	V23 M24	V23-S43 CarbonylContact C-O 3.33Å; V23-S43 WeakPolarHBondContact CA-O 3.38Å; M24-S43 PolarHBondContact N-O 3.13Å; M24-S43 PolarHBondContact O-N 3.48Å
44	P	96.2	Very high	97	Very high	26 Å²	26	61.1 Å²	61.1	17%	0.169	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	157.1	178.9	33.7	-36.4	0	0	0	111	G22 V23 C42 H48 V51 F88 S113	G22-P44 CarbonylContact O-C 3.55Å; G22-P44 WeakPolarHBondContact O-CA 3.41Å; V23-P44 HydrophobicContact CG1-CB 4.5Å; C42-P44 WeakPolarHBondContact O-CD 3.41Å; P44-H48 HydrophobicContact CB-CB 3.9Å; P44-V51 HydrophobicContact CB-CG2 4.15Å; P44-V51 HydrophobicContact CG-CG2 4.02Å; P44-F88 HydrophobicContact CG-CE2 3.98Å; P44-F88 HydrophobicContact CG-CZ 3.64Å; P44-S113 VanDerWaalsContact CB-CB 3.45Å; P44-S113 WeakPolarHBondContact CB-OG 3.41Å
45	M	93.3	Very high	97	Very high	79 Å²	79	52.9 Å²	52.9	39%	0.389	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-60.8	153.7	175.2	178.4	170.7	61.7	0	0	110.5	N20 G22 G47 H48	N20-M45 PolarHBondContact ND2-SD 3.44Å; G22-M45 WeakPolarHBondContact O-CB 3.46Å; G22-M45 PolarHBondContact O-N 3.35Å; M45-G47 PolarHBondContact O-N 2.98Å; M45-H48 WeakPolarHBondContact CE-NE2 3.23Å; M45-H48 WeakPolarHBondContact O-CB 3.36Å; M45-H48 PolarHBondContact O-N 3.48Å; M45-H48 VanDerWaalsContact O-N 3.11Å
46	K	91.8	Very high	97	Very high	206 Å²	206	55.2 Å²	55.2	90%	0.896	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	133.9	175.6	-172.9	178.2	179.8	-179.2	0	110.6
47	G	92.5	Very high	96.9	Very high	63 Å²	63	52.4 Å²	52.4	65%	0.649	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-13.6	-179.1	0	0	0	0	0	114.3	M45	M45-G47 PolarHBondContact O-N 2.98Å
48	H	95.6	Very high	96.6	Very high	23 Å²	23	53.1 Å²	53.1	11%	0.106	27%	0.267	C	S	.	.			trans	-82.3	122.9	177.4	-70.7	-159.6	0	0	0	111.5	P44 M45 K70 S113 S114	P44-H48 HydrophobicContact CB-CB 3.9Å; M45-H48 WeakPolarHBondContact CE-NE2 3.23Å; M45-H48 WeakPolarHBondContact O-CB 3.36Å; M45-H48 PolarHBondContact O-N 3.48Å; M45-H48 VanDerWaalsContact O-N 3.11Å; H48-K70 PolarHBondContact O-NZ 2.82Å; H48-K70 VanDerWaalsContact O-NZ 3.14Å; H48-S113 VanDerWaalsContact ND1-C 3.34Å; H48-S113 PolarHBondContact ND1-O 3.12Å; H48-S113 PolarHBondContact ND1-OG 3.32Å; H48-S114 CarbonylContact C-O 3.51Å; H48-S114 WeakPolarHBondContact CA-O 3.19Å; H48-S114 WeakPolarHBondContact CB-O 3.22Å; H48-S114 VanDerWaalsContact CG-C 3.41Å; H48-S114 PolarHBondContact ND1-N 3.35Å
49	S	96.6	Very high	96.2	Very high	29 Å²	29	62.7 Å²	62.7	20%	0.203	31%	0.31	C	S	.	.			trans	-107.4	-6.5	178.2	72.3	0	0	0	0	114.1	Q69 K70 F88 S114 P115	S49-Q69 CarbonylContact O-C 3.5Å; S49-Q69 WeakPolarHBondContact O-CA 3.35Å; S49-K70 PolarHBondContact O-N 3Å; S49-F88 VanDerWaalsContact O-CE1 3.25Å; S49-F88 WeakPolarHBondContact O-CE1 3.33Å; S49-S114 PolarHBondContact N-O 2.59Å; S49-S114 VanDerWaalsContact N-O 3.11Å; S49-P115 VanDerWaalsContact CB-OXT 3.3Å; S49-P115 WeakPolarHBondContact CB-OXT 3.43Å; S49-P115 PolarHBondContact N-OXT 3.11Å; S49-P115 PolarHBondContact OG-OXT 3.27Å
50	H	97.7	Very high	95.9	Very high	26 Å²	26	60.8 Å²	60.8	12%	0.12	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.7	-179.6	-59.6	102.3	0	0	0	110.9	Y52 Y67 L68 Q69 S113 S114 P115	H50-Y52 HydrophobicContact CB-CE2 4.13Å; H50-Y67 HydrophobicContact CB-CE2 3.83Å; H50-Y67 AromaticContact CD2-CE2 3.53Å; H50-Y67 AromaticContact CD2-CZ 3.63Å; H50-Y67 PolarHBondContact CD2-OH 3.35Å; H50-Y67 AromaticContact CG-CE2 3.96Å; H50-Y67 PolarHBondContact NE2-OH 3.46Å; H50-L68 CarbonylContact C-O 3.58Å; H50-L68 WeakPolarHBondContact CA-O 3.27Å; H50-Q69 WeakPolarHBondContact NE2-CG 3.44Å; H50-Q69 PolarHBondContact NE2-NE2 3.33Å; H50-Q69 VanDerWaalsContact NE2-NE2 3.12Å; H50-S113 WeakPolarHBondContact O-CA 3.39Å; H50-S113 WeakPolarHBondContact O-CB 3.3Å; H50-S114 VanDerWaalsContact CB-OG 3.27Å; H50-S114 WeakPolarHBondContact CB-OG 3.49Å; H50-S114 PolarHBondContact N-O 2.86Å; H50-S114 VanDerWaalsContact N-O 3.14Å; H50-S114 PolarHBondContact O-N 3.47Å; H50-P115 PolarHBondContact CE1-O 3.14Å; H50-P115 VanDerWaalsContact ND1-C 3.28Å; H50-P115 PolarHBondContact ND1-O 3.19Å; H50-P115 PolarHBondContact ND1-OXT 3.44Å
51	V	98.2	Very high	95.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.2	172.3	171	0	0	0	0	110	P44 Y67 L68 F88 A112	P44-V51 HydrophobicContact CB-CG2 4.15Å; P44-V51 HydrophobicContact CG-CG2 4.02Å; V51-Y67 WeakPolarHBondContact O-CA 3.45Å; V51-L68 PolarHBondContact N-O 2.02Å; V51-L68 PolarHBondContact O-N 2.81Å; V51-F88 HydrophobicContact CB-CD1 4.03Å; V51-F88 HydrophobicContact CB-CE1 4.18Å; V51-F88 HydrophobicContact CG2-CD1 3.79Å; V51-F88 HydrophobicContact CG2-CE1 3.51Å; V51-F88 HydrophobicContact CG2-CE2 4.44Å; V51-F88 HydrophobicContact CG2-CG 4.36Å; V51-F88 HydrophobicContact CG2-CZ 3.88Å; V51-A112 WeakPolarHBondContact CA-O 3.47Å
52	Y	98.2	Very high	95.5	Very high	55 Å²	55	61.1 Å²	61.1	22%	0.216	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.7	177.2	-49.3	-92.9	0	0	0	108.7	H50 V66 Y67 C111 A112 S114	H50-Y52 HydrophobicContact CB-CE2 4.13Å; Y52-V66 CarbonylContact C-O 3.46Å; Y52-V66 WeakPolarHBondContact CA-O 3.34Å; Y52-Y67 AromaticContact CD1-CD2 3.6Å; Y52-Y67 HydrophobicContact CD1-CD2 3.6Å; Y52-Y67 HydrophobicContact CD1-CE2 4.39Å; Y52-Y67 AromaticContact CD1-CG 3.82Å; Y52-Y67 HydrophobicContact CD1-CG 3.82Å; Y52-Y67 HydrophobicContact CE1-CD1 4.11Å; Y52-Y67 AromaticContact CE1-CD2 3.21Å; Y52-Y67 HydrophobicContact CE1-CD2 3.21Å; Y52-Y67 HydrophobicContact CE1-CE1 4.39Å; Y52-Y67 AromaticContact CE1-CE2 3.6Å; Y52-Y67 HydrophobicContact CE1-CE2 3.6Å; Y52-Y67 AromaticContact CE1-CG 3.54Å; Y52-Y67 HydrophobicContact CE1-CG 3.54Å; Y52-Y67 HydrophobicContact CG-CD2 4.4Å; Y52-Y67 AromaticContact CZ-CD2 3.75Å; Y52-Y67 AromaticContact CZ-CE2 3.7Å; Y52-C111 CarbonylContact O-C 3.58Å; Y52-C111 WeakPolarHBondContact O-CA 3.15Å; Y52-C111 WeakPolarHBondContact O-CB 3.37Å; Y52-A112 HydrophobicContact CD2-CB 4.32Å; Y52-A112 PolarHBondContact N-O 2.87Å; Y52-A112 PolarHBondContact O-N 3.37Å; Y52-S114 WeakPolarHBondContact CE2-OG 3.27Å; Y52-S114 PolarHBondContact OH-OG 2.68Å
53	W	98.5	Very high	95.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.3	170.6	-72.5	95.8	0	0	0	110.7	L40 C42 M65 V66 S94 L96 F110 C111	L40-W53 HydrophobicContact CB-CH2 3.81Å; L40-W53 HydrophobicContact CB-CZ3 4.01Å; C42-W53 HydrophobicContact CB-CH2 3.61Å; C42-W53 HydrophobicContact CB-CZ2 3.31Å; W53-M65 HydrophobicContact CB-CB 4.41Å; W53-M65 WeakPolarHBondContact O-CB 3.36Å; W53-M65 PolarHBondContact O-N 3.36Å; W53-V66 HydrophobicContact CB-CG1 3.74Å; W53-V66 HydrophobicContact CG-CG1 4.15Å; W53-V66 PolarHBondContact N-O 3.11Å; W53-V66 PolarHBondContact O-N 2.88Å; W53-S94 PolarHBondContact NE1-OG 3.04Å; W53-L96 HydrophobicContact CD2-CB 3.78Å; W53-L96 HydrophobicContact CD2-CD2 4.06Å; W53-L96 HydrophobicContact CD2-CG 4.44Å; W53-L96 HydrophobicContact CE3-CB 3.99Å; W53-L96 HydrophobicContact CE3-CD2 3.76Å; W53-L96 HydrophobicContact CE3-CG 4.5Å; W53-L96 HydrophobicContact CG-CB 4.33Å; W53-L96 HydrophobicContact CG-CD2 4.41Å; W53-L96 HydrophobicContact CH2-CB 4.03Å; W53-L96 HydrophobicContact CZ2-CB 3.83Å; W53-L96 HydrophobicContact CZ3-CB 4.1Å; W53-L96 HydrophobicContact CZ3-CD2 4.26Å; W53-F110 WeakPolarHBondContact CA-O 3.3Å; W53-C111 HydrophobicContact CD2-CB 3.98Å; W53-C111 HydrophobicContact CE3-CB 3.83Å; W53-C111 HydrophobicContact CH2-CB 4.21Å; W53-C111 HydrophobicContact CZ2-CB 4.33Å; W53-C111 HydrophobicContact CZ3-CB 3.95Å
54	Y	98	Very high	95.5	Very high	63 Å²	63	67.6 Å²	67.6	25%	0.247	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.6	179	-55.1	-93	0	0	0	110.1	L62 K63 F64 Y109 F110 A112	Y54-L62 HydrophobicContact CD1-CD2 4.19Å; Y54-L62 HydrophobicContact CD1-CG 4.18Å; Y54-L62 HydrophobicContact CG-CD1 4.37Å; Y54-L62 HydrophobicContact CG-CD2 4.21Å; Y54-L62 HydrophobicContact CG-CG 4.21Å; Y54-K63 CarbonylContact C-O 3.58Å; Y54-K63 WeakPolarHBondContact CA-O 3.26Å; Y54-K63 WeakPolarHBondContact CB-O 3.24Å; Y54-F64 HydrophobicContact CD1-CB 4.28Å; Y54-F64 HydrophobicContact CE1-CB 4.26Å; Y54-F64 HydrophobicContact CE1-CD2 4.08Å; Y54-Y109 WeakPolarHBondContact O-CA 3.34Å; Y54-F110 PolarHBondContact N-O 3.47Å; Y54-F110 PolarHBondContact O-N 2.92Å; Y54-A112 HydrophobicContact CE2-CB 4.23Å
55	R	97.6	Very high	95.6	Very high	47 Å²	47	66.4 Å²	66.4	18%	0.177	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.8	172.6	-177.9	-179.7	68.9	-176.8	1.3	109.7	K63 M65 A107 A108 Y109	R55-K63 PolarHBondContact N-O 2.8Å; R55-K63 PolarHBondContact O-N 2.96Å; R55-M65 HydrophobicContact CB-CG 4Å; R55-M65 HydrophobicContact CB-SD 3.63Å; R55-A107 HydrophobicContact CG-CB 3.67Å; R55-A108 WeakPolarHBondContact CA-O 3.49Å; R55-Y109 HydrophobicContact CB-CD1 4.2Å; R55-Y109 HydrophobicContact CB-CE1 4.09Å; R55-Y109 HydrophobicContact CG-CD1 4.24Å; R55-Y109 HydrophobicContact CG-CE1 3.81Å
56	Q	97.5	Very high	95.9	Very high	75 Å²	75	62.7 Å²	62.7	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	106.5	171.4	-172.1	175.7	28.5	0	0	108.8	L62 A107 A108 F110	Q56-L62 HydrophobicContact CB-CD1 4.09Å; Q56-A107 WeakPolarHBondContact O-CB 3.37Å; Q56-A108 HydrophobicContact CB-CB 4.36Å; Q56-A108 PolarHBondContact N-O 3.27Å; Q56-A108 PolarHBondContact O-N 3.16Å; Q56-F110 HydrophobicContact CB-CD2 4.46Å; Q56-F110 HydrophobicContact CB-CE2 3.91Å
57	L	94.9	Very high	96.2	Very high	30 Å²	30	55.2 Å²	55.2	16%	0.157	29%	0.292	C	S	.	.			trans	-74.1	155.1	171.9	-72.7	165.4	0	0	0	109.6	E59 E60 A107	L57-E59 PolarHBondContact O-N 2.85Å; L57-E60 HydrophobicContact CB-CB 3.99Å; L57-E60 HydrophobicContact CB-CG 3.96Å; L57-E60 VanDerWaalsContact CD1-OE1 3.3Å; L57-E60 WeakPolarHBondContact CD1-OE1 3.48Å; L57-E60 PolarHBondContact O-N 3.03Å; L57-E60 VanDerWaalsContact O-N 3.13Å; L57-A107 HydrophobicContact CD2-CB 3.9Å; L57-A107 HydrophobicContact CG-CB 4.47Å
58	P	92.4	Very high	96.5	Very high	96 Å²	96	52.3 Å²	52.3	62%	0.623	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	135.8	170.9	-23.6	34	0	0	0	110.4	E60	P58-E60 PolarHBondContact O-N 2.64Å
59	E	90.5	Very high	96.6	Very high	209 Å²	209	54.8 Å²	54.8	98%	0.977	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	-1.5	179.1	-52.2	174.6	178.5	0	0	115.5	L57	L57-E59 PolarHBondContact O-N 2.85Å
60	E	91.3	Very high	96.6	Very high	77 Å²	77	56.4 Å²	56.4	36%	0.36	28%	0.277	S	S	.	.	S	Bend	trans	-102	158.5	173.8	-62	-171.4	-155.7	0	0	112	L57 P58 K63	L57-E60 HydrophobicContact CB-CB 3.99Å; L57-E60 HydrophobicContact CB-CG 3.96Å; L57-E60 VanDerWaalsContact CD1-OE1 3.3Å; L57-E60 WeakPolarHBondContact CD1-OE1 3.48Å; L57-E60 PolarHBondContact O-N 3.03Å; L57-E60 VanDerWaalsContact O-N 3.13Å; P58-E60 PolarHBondContact O-N 2.64Å; E60-K63 VanDerWaalsContact OE2-CE 3.26Å; E60-K63 WeakPolarHBondContact OE2-CE 3.37Å; E60-K63 IonicContact OE2-NZ 2.64Å; E60-K63 PolarHBondContact OE2-NZ 2.83Å
61	G	93.5	Very high	96.6	Very high	49 Å²	49	60.8 Å²	60.8	51%	0.505	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-70.3	168.5	169.5	0	0	0	0	0	113	K63	G61-K63 PolarHBondContact O-N 2.93Å
62	L	96.8	Very high	96.6	Very high	96 Å²	96	65.4 Å²	65.4	50%	0.503	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.8	171.5	-170	70.6	0	0	0	109.8	Y54 Q56 F110	Y54-L62 HydrophobicContact CD1-CD2 4.19Å; Y54-L62 HydrophobicContact CD1-CG 4.18Å; Y54-L62 HydrophobicContact CG-CD1 4.37Å; Y54-L62 HydrophobicContact CG-CD2 4.21Å; Y54-L62 HydrophobicContact CG-CG 4.21Å; Q56-L62 HydrophobicContact CB-CD1 4.09Å; L62-F110 HydrophobicContact CD1-CD2 3.47Å; L62-F110 VanDerWaalsContact CD1-CD2 3.47Å; L62-F110 HydrophobicContact CD1-CE2 4.01Å; L62-F110 HydrophobicContact CD1-CG 4.31Å
63	K	97.3	Very high	96.6	Very high	106 Å²	106	66.6 Å²	66.6	46%	0.461	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.4	179	-70.3	-179.8	175.6	173.1	0	111	Y54 R55 E60 G61	Y54-K63 CarbonylContact C-O 3.58Å; Y54-K63 WeakPolarHBondContact CA-O 3.26Å; Y54-K63 WeakPolarHBondContact CB-O 3.24Å; R55-K63 PolarHBondContact N-O 2.8Å; R55-K63 PolarHBondContact O-N 2.96Å; E60-K63 VanDerWaalsContact OE2-CE 3.26Å; E60-K63 WeakPolarHBondContact OE2-CE 3.37Å; E60-K63 IonicContact OE2-NZ 2.64Å; E60-K63 PolarHBondContact OE2-NZ 2.83Å; G61-K63 PolarHBondContact O-N 2.93Å
64	F	97.9	Very high	96.6	Very high	64 Å²	64	70.7 Å²	70.7	28%	0.281	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	142.9	171.8	173.5	-107.1	0	0	0	111.1	Y54 V66 D75 G78	Y54-F64 HydrophobicContact CD1-CB 4.28Å; Y54-F64 HydrophobicContact CE1-CB 4.26Å; Y54-F64 HydrophobicContact CE1-CD2 4.08Å; F64-V66 WeakPolarHBondContact CE2-O 3.39Å; F64-D75 HydrophobicContact CE1-CB 4.27Å; F64-D75 WeakPolarHBondContact CE1-OD2 3.32Å; F64-D75 HydrophobicContact CZ-CB 4.08Å; F64-G78 WeakPolarHBondContact O-CA 3.26Å
65	M	98.1	Very high	96.6	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-58	172.7	-61.2	-177.2	72	0	0	111.6	W53 R55 G78 M79 F84 L96 Y109	W53-M65 HydrophobicContact CB-CB 4.41Å; W53-M65 WeakPolarHBondContact O-CB 3.36Å; W53-M65 PolarHBondContact O-N 3.36Å; R55-M65 HydrophobicContact CB-CG 4Å; R55-M65 HydrophobicContact CB-SD 3.63Å; M65-G78 CarbonylContact O-C 3.52Å; M65-G78 WeakPolarHBondContact O-CA 3.34Å; M65-G78 PolarHBondContact O-N 2.89Å; M65-M79 PolarHBondContact O-N 2.95Å; M65-F84 HydrophobicContact CE-CD1 3.43Å; M65-F84 VanDerWaalsContact CE-CD1 3.43Å; M65-F84 HydrophobicContact CE-CE1 3.76Å; M65-F84 HydrophobicContact CE-CG 4.26Å; M65-L96 HydrophobicContact CE-CD1 4.24Å; M65-L96 HydrophobicContact CE-CD2 4.35Å; M65-L96 HydrophobicContact SD-CD2 4.11Å; M65-Y109 HydrophobicContact CE-CE1 4.31Å; M65-Y109 HydrophobicContact SD-CD1 3.99Å; M65-Y109 HydrophobicContact SD-CE1 4.01Å
66	V	98.6	Very high	96.6	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	149.4	-173	60.4	0	0	0	0	111.8	Y52 W53 F64 L68 I73 D75 E76 M79 A86	Y52-V66 CarbonylContact C-O 3.46Å; Y52-V66 WeakPolarHBondContact CA-O 3.34Å; W53-V66 HydrophobicContact CB-CG1 3.74Å; W53-V66 HydrophobicContact CG-CG1 4.15Å; W53-V66 PolarHBondContact N-O 3.11Å; W53-V66 PolarHBondContact O-N 2.88Å; F64-V66 WeakPolarHBondContact CE2-O 3.39Å; V66-L68 HydrophobicContact CB-CD1 4.38Å; V66-L68 HydrophobicContact CG1-CD1 3.86Å; V66-L68 HydrophobicContact CG2-CD1 3.7Å; V66-L68 HydrophobicContact CG2-CG 3.95Å; V66-I73 HydrophobicContact CG2-CG2 4.16Å; V66-D75 CarbonylContact C-O 3.45Å; V66-D75 WeakPolarHBondContact CA-O 3.35Å; V66-D75 WeakPolarHBondContact CG2-O 3.38Å; V66-E76 HydrophobicContact CB-CB 4.43Å; V66-E76 HydrophobicContact CG2-CB 4.01Å; V66-M79 HydrophobicContact CB-CE 3.52Å; V66-M79 HydrophobicContact CG1-CE 3.31Å; V66-M79 HydrophobicContact CG2-CE 4.09Å; V66-A86 HydrophobicContact CG1-CB 3.71Å; V66-A86 HydrophobicContact CG2-CB 4.42Å
67	Y	98.4	Very high	96.6	Very high	50 Å²	50	73.3 Å²	73.3	20%	0.196	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.1	173.6	167.7	-147.4	0	0	0	108.7	H50 V51 Y52 I74 D75	H50-Y67 HydrophobicContact CB-CE2 3.83Å; H50-Y67 AromaticContact CD2-CE2 3.53Å; H50-Y67 AromaticContact CD2-CZ 3.63Å; H50-Y67 PolarHBondContact CD2-OH 3.35Å; H50-Y67 AromaticContact CG-CE2 3.96Å; H50-Y67 PolarHBondContact NE2-OH 3.46Å; V51-Y67 WeakPolarHBondContact O-CA 3.45Å; Y52-Y67 AromaticContact CD1-CD2 3.6Å; Y52-Y67 HydrophobicContact CD1-CD2 3.6Å; Y52-Y67 HydrophobicContact CD1-CE2 4.39Å; Y52-Y67 AromaticContact CD1-CG 3.82Å; Y52-Y67 HydrophobicContact CD1-CG 3.82Å; Y52-Y67 HydrophobicContact CE1-CD1 4.11Å; Y52-Y67 AromaticContact CE1-CD2 3.21Å; Y52-Y67 HydrophobicContact CE1-CD2 3.21Å; Y52-Y67 HydrophobicContact CE1-CE1 4.39Å; Y52-Y67 AromaticContact CE1-CE2 3.6Å; Y52-Y67 HydrophobicContact CE1-CE2 3.6Å; Y52-Y67 AromaticContact CE1-CG 3.54Å; Y52-Y67 HydrophobicContact CE1-CG 3.54Å; Y52-Y67 HydrophobicContact CG-CD2 4.4Å; Y52-Y67 AromaticContact CZ-CD2 3.75Å; Y52-Y67 AromaticContact CZ-CE2 3.7Å; Y67-I74 HydrophobicContact CD1-CB 3.53Å; Y67-I74 HydrophobicContact CD1-CG1 4.24Å; Y67-I74 HydrophobicContact CD1-CG2 3.57Å; Y67-I74 HydrophobicContact CE1-CB 3.62Å; Y67-I74 HydrophobicContact CE1-CG1 3.96Å; Y67-I74 HydrophobicContact CE1-CG2 3.39Å; Y67-I74 HydrophobicContact CE2-CG1 4.45Å; Y67-I74 HydrophobicContact CG-CB 4.08Å; Y67-I74 PolarHBondContact O-N 2.87Å; Y67-D75 PolarHBondContact N-O 3.27Å; Y67-D75 PolarHBondContact O-N 2.85Å
68	L	98.6	Very high	96.7	Very high	2 Å²	2	73.3 Å²	73.3	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.4	178.5	-53.6	97.8	0	0	0	110.5	H50 V51 V66 N72 I73 A86 F88	H50-L68 CarbonylContact C-O 3.58Å; H50-L68 WeakPolarHBondContact CA-O 3.27Å; V51-L68 PolarHBondContact N-O 2.02Å; V51-L68 PolarHBondContact O-N 2.81Å; V66-L68 HydrophobicContact CB-CD1 4.38Å; V66-L68 HydrophobicContact CG1-CD1 3.86Å; V66-L68 HydrophobicContact CG2-CD1 3.7Å; V66-L68 HydrophobicContact CG2-CG 3.95Å; L68-N72 CarbonylContact C-O 3.49Å; L68-N72 VanDerWaalsContact CA-O 3.3Å; L68-N72 WeakPolarHBondContact CA-O 3.22Å; L68-I73 HydrophobicContact CD2-CG1 4.03Å; L68-A86 HydrophobicContact CD1-CB 3.98Å; L68-A86 HydrophobicContact CD2-CB 4.22Å; L68-F88 HydrophobicContact CB-CB 4.09Å; L68-F88 HydrophobicContact CB-CD1 4.47Å; L68-F88 HydrophobicContact CD2-CB 4.2Å
69	Q	98.1	Very high	96.9	Very high	75 Å²	75	69.3 Å²	69.3	35%	0.35	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	97	164.8	-177.1	-176.9	39.9	0	0	108.2	S49 H50 E71 N72 I74	S49-Q69 CarbonylContact O-C 3.5Å; S49-Q69 WeakPolarHBondContact O-CA 3.35Å; H50-Q69 WeakPolarHBondContact NE2-CG 3.44Å; H50-Q69 PolarHBondContact NE2-NE2 3.33Å; H50-Q69 VanDerWaalsContact NE2-NE2 3.12Å; Q69-E71 PolarHBondContact O-N 3.11Å; Q69-N72 PolarHBondContact N-O 2.85Å; Q69-N72 WeakPolarHBondContact O-CB 3.42Å; Q69-N72 PolarHBondContact O-N 2.76Å; Q69-I74 HydrophobicContact CB-CD1 3.89Å; Q69-I74 HydrophobicContact CB-CG1 3.74Å
70	K	96.5	Very high	97	Very high	62 Å²	62	61.5 Å²	61.5	27%	0.27	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	-127.9	-167.1	-58.5	-59.8	-172	-171.6	0	109.5	H48 S49 N72 F88	H48-K70 PolarHBondContact O-NZ 2.82Å; H48-K70 VanDerWaalsContact O-NZ 3.14Å; S49-K70 PolarHBondContact O-N 3Å; K70-N72 PolarHBondContact O-N 3.03Å; K70-N72 VanDerWaalsContact O-N 3.11Å; K70-F88 CarbonylContact C-O 3.54Å; K70-F88 VanDerWaalsContact CA-O 3.32Å; K70-F88 WeakPolarHBondContact CA-O 3.49Å; K70-F88 HydrophobicContact CD-CD1 4.25Å; K70-F88 HydrophobicContact CD-CE1 3.78Å; K70-F88 HydrophobicContact CD-CE2 4.14Å; K70-F88 HydrophobicContact CD-CZ 3.72Å; K70-F88 VanDerWaalsContact NZ-CZ 3.35Å; K70-F88 WeakPolarHBondContact O-CB 3.16Å
71	E	97.8	Very high	96.8	Very high	118 Å²	118	66.5 Å²	66.5	55%	0.551	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.6	-173	-63.8	173.4	141	0	0	113.5	Q69 F88 K90	Q69-E71 PolarHBondContact O-N 3.11Å; E71-F88 WeakPolarHBondContact CA-O 3.47Å; E71-F88 PolarHBondContact N-O 3.33Å; E71-K90 VanDerWaalsContact CD-CG 3.45Å; E71-K90 HydrophobicContact CG-CG 4.1Å; E71-K90 WeakPolarHBondContact OE2-CE 3.1Å; E71-K90 WeakPolarHBondContact OE2-CG 3.18Å; E71-K90 IonicContact OE2-NZ 3.94Å
72	N	98.4	Very high	96.7	Very high	98 Å²	98	72.5 Å²	72.5	52%	0.524	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.7	-179.1	-55.9	-56.8	0	0	0	110.7	L68 Q69 K70 I74	L68-N72 CarbonylContact C-O 3.49Å; L68-N72 VanDerWaalsContact CA-O 3.3Å; L68-N72 WeakPolarHBondContact CA-O 3.22Å; Q69-N72 PolarHBondContact N-O 2.85Å; Q69-N72 WeakPolarHBondContact O-CB 3.42Å; Q69-N72 PolarHBondContact O-N 2.76Å; K70-N72 PolarHBondContact O-N 3.03Å; K70-N72 VanDerWaalsContact O-N 3.11Å; N72-I74 HydrophobicContact CB-CD1 4.1Å; N72-I74 PolarHBondContact O-N 2.81Å
73	I	98.1	Very high	96.7	Very high	80 Å²	80	70.9 Å²	70.9	41%	0.41	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.1	165.5	-60.6	174.8	0	0	0	107.1	V66 L68 E76	V66-I73 HydrophobicContact CG2-CG2 4.16Å; L68-I73 HydrophobicContact CD2-CG1 4.03Å; I73-E76 HydrophobicContact CG2-CB 3.79Å; I73-E76 HydrophobicContact CG2-CG 3.9Å
74	I	98.4	Very high	96.7	Very high	86 Å²	86	66.5 Å²	66.5	44%	0.441	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-42.2	-179.1	-55.2	-58.1	0	0	0	110.5	Y67 Q69 N72	Y67-I74 HydrophobicContact CD1-CB 3.53Å; Y67-I74 HydrophobicContact CD1-CG1 4.24Å; Y67-I74 HydrophobicContact CD1-CG2 3.57Å; Y67-I74 HydrophobicContact CE1-CB 3.62Å; Y67-I74 HydrophobicContact CE1-CG1 3.96Å; Y67-I74 HydrophobicContact CE1-CG2 3.39Å; Y67-I74 HydrophobicContact CE2-CG1 4.45Å; Y67-I74 HydrophobicContact CG-CB 4.08Å; Y67-I74 PolarHBondContact O-N 2.87Å; Q69-I74 HydrophobicContact CB-CD1 3.89Å; Q69-I74 HydrophobicContact CB-CG1 3.74Å; N72-I74 HydrophobicContact CB-CD1 4.1Å; N72-I74 PolarHBondContact O-N 2.81Å
75	D	98.4	Very high	96.7	Very high	63 Å²	63	65.4 Å²	65.4	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	126.3	175.8	-177.3	2.1	0	0	0	109.6	F64 V66 Y67 S77	F64-D75 HydrophobicContact CE1-CB 4.27Å; F64-D75 WeakPolarHBondContact CE1-OD2 3.32Å; F64-D75 HydrophobicContact CZ-CB 4.08Å; V66-D75 CarbonylContact C-O 3.45Å; V66-D75 WeakPolarHBondContact CA-O 3.35Å; V66-D75 WeakPolarHBondContact CG2-O 3.38Å; Y67-D75 PolarHBondContact N-O 3.27Å; Y67-D75 PolarHBondContact O-N 2.85Å; D75-S77 WeakPolarHBondContact OD1-CB 2.97Å; D75-S77 PolarHBondContact OD1-N 3.49Å; D75-S77 PolarHBondContact OD1-OG 3.31Å; D75-S77 PolarHBondContact OD2-OG 3.06Å
76	E	97.7	Very high	96.7	Very high	81 Å²	81	65.9 Å²	65.9	38%	0.379	34%	0.338	S	S	.	.			trans	-127	21.2	173.6	60.6	174.3	-175.3	0	0	111.9	V66 I73 G78 M79	V66-E76 HydrophobicContact CB-CB 4.43Å; V66-E76 HydrophobicContact CG2-CB 4.01Å; I73-E76 HydrophobicContact CG2-CB 3.79Å; I73-E76 HydrophobicContact CG2-CG 3.9Å; E76-G78 PolarHBondContact O-N 3.39Å; E76-G78 VanDerWaalsContact O-N 3.13Å; E76-M79 HydrophobicContact CB-CB 4.22Å; E76-M79 WeakPolarHBondContact O-CB 3.18Å; E76-M79 PolarHBondContact O-N 2.93Å
77	S	97.3	Very high	96.7	Very high	95 Å²	95	69.4 Å²	69.4	66%	0.664	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.8	-177.7	59.2	0	0	0	0	113.7	D75	D75-S77 WeakPolarHBondContact OD1-CB 2.97Å; D75-S77 PolarHBondContact OD1-N 3.49Å; D75-S77 PolarHBondContact OD1-OG 3.31Å; D75-S77 PolarHBondContact OD2-OG 3.06Å
78	G	97.1	Very high	96.7	Very high	31 Å²	31	67.1 Å²	67.1	32%	0.32	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.7	175.1	0	0	0	0	0	115	F64 M65 E76	F64-G78 WeakPolarHBondContact O-CA 3.26Å; M65-G78 CarbonylContact O-C 3.52Å; M65-G78 WeakPolarHBondContact O-CA 3.34Å; M65-G78 PolarHBondContact O-N 2.89Å; E76-G78 PolarHBondContact O-N 3.39Å; E76-G78 VanDerWaalsContact O-N 3.13Å
79	M	96.2	Very high	96.6	Very high	11 Å²	11	69.1 Å²	69.1	5%	0.054	36%	0.358	C	S	.	.	S	Bend	trans	-89.6	129.3	-173.9	-172.1	174.3	-75.7	0	0	111.9	M65 V66 E76 K81 F84 A86 L96	M65-M79 PolarHBondContact O-N 2.95Å; V66-M79 HydrophobicContact CB-CE 3.52Å; V66-M79 HydrophobicContact CG1-CE 3.31Å; V66-M79 HydrophobicContact CG2-CE 4.09Å; E76-M79 HydrophobicContact CB-CB 4.22Å; E76-M79 WeakPolarHBondContact O-CB 3.18Å; E76-M79 PolarHBondContact O-N 2.93Å; M79-K81 PolarHBondContact O-N 3.02Å; M79-F84 HydrophobicContact CG-CB 3.63Å; M79-F84 HydrophobicContact SD-CB 3.96Å; M79-A86 HydrophobicContact CE-CB 3.62Å; M79-L96 HydrophobicContact CE-CD1 3.92Å
80	P	93	Very high	96.5	Very high	46 Å²	46	72.4 Å²	72.4	30%	0.299	37%	0.371	S	S	.	.			trans	-66.5	118.4	171.9	-18.9	31.6	0	0	0	112.3	E82 F84	P80-E82 VanDerWaalsContact C-N 3.35Å; P80-E82 PolarHBondContact O-N 3.33Å; P80-E82 VanDerWaalsContact O-N 3.15Å; P80-F84 HydrophobicContact CB-CD2 3.77Å; P80-F84 HydrophobicContact CB-CE2 4.22Å; P80-F84 HydrophobicContact CB-CG 4.48Å; P80-F84 HydrophobicContact CG-CD2 3.88Å; P80-F84 HydrophobicContact CG-CE2 4.08Å; P80-F84 HydrophobicContact CG-CG 4.36Å; P80-F84 WeakPolarHBondContact O-CB 3.14Å; P80-F84 PolarHBondContact O-N 3.46Å
81	K	86.7	Confident	96.3	Very high	181 Å²	181	77.9 Å²	77.9	79%	0.787	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-2.5	-161.6	-64.4	-167.5	173.5	-169.5	0	118.3	M79	M79-K81 PolarHBondContact O-N 3.02Å
82	E	90.5	Very high	96.1	Very high	176 Å²	176	74.5 Å²	74.5	82%	0.822	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-37.2	-172.9	-66.8	178	-179.2	0	0	114.4	P80	P80-E82 VanDerWaalsContact C-N 3.35Å; P80-E82 PolarHBondContact O-N 3.33Å; P80-E82 VanDerWaalsContact O-N 3.15Å
83	R	96.6	Very high	96.1	Very high	62 Å²	62	70.8 Å²	70.8	23%	0.234	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-17.2	-170.3	-67.2	-171.9	-55	100.7	3	112.9	I98 Q99 Q100 D105	R83-I98 CarbonylContact O-C 3.58Å; R83-I98 WeakPolarHBondContact O-CA 2.99Å; R83-Q99 WeakPolarHBondContact CB-O 3.32Å; R83-Q99 PolarHBondContact NH1-O 2.68Å; R83-Q99 PolarHBondContact O-N 3.32Å; R83-Q100 PolarHBondContact NH1-O 3.16Å; R83-D105 IonicContact CZ-OD1 3.59Å; R83-D105 IonicContact CZ-OD2 3.45Å; R83-D105 IonicContact NH1-OD1 3.51Å; R83-D105 IonicContact NH1-OD2 2.7Å; R83-D105 PolarHBondContact NH1-OD2 3.28Å; R83-D105 IonicContact NH2-OD1 2.76Å; R83-D105 PolarHBondContact NH2-OD1 3.11Å; R83-D105 IonicContact NH2-OD2 3.35Å; R83-D105 PolarHBondContact NH2-OD2 3.41Å
84	F	98.1	Very high	96.1	Very high	14 Å²	14	67 Å²	67	6%	0.061	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.1	-178.7	-68.8	-106.8	0	0	0	109.4	M65 M79 P80 R97 I98 D105 Y109	M65-F84 HydrophobicContact CE-CD1 3.43Å; M65-F84 VanDerWaalsContact CE-CD1 3.43Å; M65-F84 HydrophobicContact CE-CE1 3.76Å; M65-F84 HydrophobicContact CE-CG 4.26Å; M79-F84 HydrophobicContact CG-CB 3.63Å; M79-F84 HydrophobicContact SD-CB 3.96Å; P80-F84 HydrophobicContact CB-CD2 3.77Å; P80-F84 HydrophobicContact CB-CE2 4.22Å; P80-F84 HydrophobicContact CB-CG 4.48Å; P80-F84 HydrophobicContact CG-CD2 3.88Å; P80-F84 HydrophobicContact CG-CE2 4.08Å; P80-F84 HydrophobicContact CG-CG 4.36Å; P80-F84 WeakPolarHBondContact O-CB 3.14Å; P80-F84 PolarHBondContact O-N 3.46Å; F84-R97 WeakPolarHBondContact CA-O 3.43Å; F84-I98 HydrophobicContact CD1-CB 4.49Å; F84-I98 HydrophobicContact CD1-CD1 4.2Å; F84-I98 HydrophobicContact CD1-CG1 3.74Å; F84-I98 HydrophobicContact CD1-CG2 4.36Å; F84-I98 HydrophobicContact CD2-CG2 4.31Å; F84-I98 HydrophobicContact CE1-CB 4.29Å; F84-I98 HydrophobicContact CE1-CD1 3.42Å; F84-I98 VanDerWaalsContact CE1-CD1 3.42Å; F84-I98 HydrophobicContact CE1-CG1 3.47Å; F84-I98 VanDerWaalsContact CE1-CG1 3.47Å; F84-I98 HydrophobicContact CE1-CG2 3.97Å; F84-I98 HydrophobicContact CE2-CG2 3.88Å; F84-I98 HydrophobicContact CZ-CD1 3.89Å; F84-I98 HydrophobicContact CZ-CG1 4.08Å; F84-I98 HydrophobicContact CZ-CG2 3.7Å; F84-D105 WeakPolarHBondContact CZ-OD1 3.37Å; F84-Y109 HydrophobicContact CE1-CE1 4.08Å
85	S	98	Very high	96.1	Very high	40 Å²	40	63.3 Å²	63.3	28%	0.28	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.4	168.4	51.9	0	0	0	0	109.1	R97	S85-R97 PolarHBondContact N-O 3.1Å; S85-R97 PolarHBondContact O-N 3.01Å
86	A	98.3	Very high	96.1	Very high	12 Å²	12	60.3 Å²	60.3	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.7	170.3	0	0	0	0	0	110.8	V66 L68 M79 I95 L96	V66-A86 HydrophobicContact CG1-CB 3.71Å; V66-A86 HydrophobicContact CG2-CB 4.42Å; L68-A86 HydrophobicContact CD1-CB 3.98Å; L68-A86 HydrophobicContact CD2-CB 4.22Å; M79-A86 HydrophobicContact CE-CB 3.62Å; A86-I95 VanDerWaalsContact CA-O 3.23Å; A86-I95 WeakPolarHBondContact CA-O 3.49Å; A86-L96 HydrophobicContact CB-CD1 4.19Å
87	E	98.2	Very high	96.2	Very high	75 Å²	75	58.7 Å²	58.7	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.3	173.8	64.9	-175.6	-166.4	0	0	109.4	S94 I95 R97	E87-S94 CarbonylContact O-C 3.54Å; E87-S94 WeakPolarHBondContact O-CA 3.3Å; E87-S94 WeakPolarHBondContact O-CB 3.36Å; E87-S94 PolarHBondContact O-OG 3.21Å; E87-I95 HydrophobicContact CG-CB 3.87Å; E87-I95 HydrophobicContact CG-CG1 4.21Å; E87-I95 PolarHBondContact N-O 3.48Å; E87-I95 PolarHBondContact O-N 2.84Å; E87-R97 VanDerWaalsContact CD-NH2 3.29Å; E87-R97 IonicContact OE1-CZ 3.28Å; E87-R97 VanDerWaalsContact OE1-CZ 3.28Å; E87-R97 IonicContact OE1-NH1 3.27Å; E87-R97 PolarHBondContact OE1-NH1 2.89Å; E87-R97 IonicContact OE1-NH2 2.66Å; E87-R97 PolarHBondContact OE1-NH2 2.76Å; E87-R97 IonicContact OE2-CZ 3.44Å; E87-R97 IonicContact OE2-NH1 2.69Å; E87-R97 PolarHBondContact OE2-NH1 3.25Å; E87-R97 IonicContact OE2-NH2 3.3Å; E87-R97 PolarHBondContact OE2-NH2 3.42Å
88	F	98.4	Very high	96.2	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	28%	0.282	C	S	.	.			trans	-144	93.4	170.7	178.3	-159.7	0	0	0	108.7	P44 S49 V51 L68 K70 E71 G92	P44-F88 HydrophobicContact CG-CE2 3.98Å; P44-F88 HydrophobicContact CG-CZ 3.64Å; S49-F88 VanDerWaalsContact O-CE1 3.25Å; S49-F88 WeakPolarHBondContact O-CE1 3.33Å; V51-F88 HydrophobicContact CB-CD1 4.03Å; V51-F88 HydrophobicContact CB-CE1 4.18Å; V51-F88 HydrophobicContact CG2-CD1 3.79Å; V51-F88 HydrophobicContact CG2-CE1 3.51Å; V51-F88 HydrophobicContact CG2-CE2 4.44Å; V51-F88 HydrophobicContact CG2-CG 4.36Å; V51-F88 HydrophobicContact CG2-CZ 3.88Å; L68-F88 HydrophobicContact CB-CB 4.09Å; L68-F88 HydrophobicContact CB-CD1 4.47Å; L68-F88 HydrophobicContact CD2-CB 4.2Å; K70-F88 CarbonylContact C-O 3.54Å; K70-F88 VanDerWaalsContact CA-O 3.32Å; K70-F88 WeakPolarHBondContact CA-O 3.49Å; K70-F88 HydrophobicContact CD-CD1 4.25Å; K70-F88 HydrophobicContact CD-CE1 3.78Å; K70-F88 HydrophobicContact CD-CE2 4.14Å; K70-F88 HydrophobicContact CD-CZ 3.72Å; K70-F88 VanDerWaalsContact NZ-CZ 3.35Å; K70-F88 WeakPolarHBondContact O-CB 3.16Å; E71-F88 WeakPolarHBondContact CA-O 3.47Å; E71-F88 PolarHBondContact N-O 3.33Å; F88-G92 WeakPolarHBondContact CE2-O 3.11Å
89	P	97.4	Very high	96.3	Very high	44 Å²	44	57.4 Å²	57.4	29%	0.286	29%	0.287	S	S	.	.			trans	-61.1	162.1	-178.7	26.3	-35	0	0	0	111.8	E91 P93	P89-E91 VanDerWaalsContact CG-O 3.27Å; P89-E91 WeakPolarHBondContact CG-O 2.8Å; P89-E91 PolarHBondContact O-N 2.78Å; P89-E91 VanDerWaalsContact O-N 3.16Å; P89-P93 WeakPolarHBondContact CD-O 3.5Å
90	K	95	Very high	96.3	Very high	143 Å²	143	62.7 Å²	62.7	62%	0.622	31%	0.312	S	S	*	.	S	Bend	trans	-48.9	-44.4	174.9	-66.5	-176.8	-171.9	-178.1	0	111.8	E71	E71-K90 VanDerWaalsContact CD-CG 3.45Å; E71-K90 HydrophobicContact CG-CG 4.1Å; E71-K90 WeakPolarHBondContact OE2-CE 3.1Å; E71-K90 WeakPolarHBondContact OE2-CG 3.18Å; E71-K90 IonicContact OE2-NZ 3.94Å
91	E	92.7	Very high	96.5	Very high	178 Å²	178	61.1 Å²	61.1	83%	0.832	30%	0.302	S	S	*	.	S	Bend	trans	-122.1	133.8	178	-63.1	-176	-172.9	0	0	110.6	P89	P89-E91 VanDerWaalsContact CG-O 3.27Å; P89-E91 WeakPolarHBondContact CG-O 2.8Å; P89-E91 PolarHBondContact O-N 2.78Å; P89-E91 VanDerWaalsContact O-N 3.16Å
92	G	94.4	Very high	97	Very high	47 Å²	47	55.2 Å²	55.2	49%	0.485	28%	0.281	S	S	.	.	S	Bend	trans	107.8	-169.5	178.1	0	0	0	0	0	113.9	F88	F88-G92 WeakPolarHBondContact CE2-O 3.11Å
93	P	97.7	Very high	97.3	Very high	19 Å²	19	58 Å²	58	12%	0.123	28%	0.284	C	S	.	.			trans	-83	152.2	-175.2	33	-34.5	0	0	0	112.1	R41 C42 P89 I95	R41-P93 HydrophobicContact CB-CB 4.49Å; C42-P93 CarbonylContact O-C 2.75Å; C42-P93 VanDerWaalsContact O-CA 3.22Å; C42-P93 WeakPolarHBondContact O-CA 3.34Å; C42-P93 VanDerWaalsContact O-CB 3.24Å; C42-P93 WeakPolarHBondContact O-CB 3.43Å; P89-P93 WeakPolarHBondContact CD-O 3.5Å; P93-I95 HydrophobicContact CG-CD1 3.99Å
94	S	98.5	Very high	97.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	141.9	160.4	179.3	0	0	0	0	110.3	R41 C42 W53 E87	R41-S94 WeakPolarHBondContact CA-O 3.4Å; C42-S94 PolarHBondContact N-O 2.92Å; C42-S94 PolarHBondContact O-N 3.13Å; W53-S94 PolarHBondContact NE1-OG 3.04Å; E87-S94 CarbonylContact O-C 3.54Å; E87-S94 WeakPolarHBondContact O-CA 3.3Å; E87-S94 WeakPolarHBondContact O-CB 3.36Å; E87-S94 PolarHBondContact O-OG 3.21Å
95	I	98.6	Very high	97	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.046	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.6	179.4	-50.5	-66.7	0	0	0	108.4	L40 R41 A86 E87 P93 R97	L40-I95 WeakPolarHBondContact O-CA 3.22Å; R41-I95 HydrophobicContact CB-CD1 4.09Å; R41-I95 HydrophobicContact CG-CD1 3.63Å; A86-I95 VanDerWaalsContact CA-O 3.23Å; A86-I95 WeakPolarHBondContact CA-O 3.49Å; E87-I95 HydrophobicContact CG-CB 3.87Å; E87-I95 HydrophobicContact CG-CG1 4.21Å; E87-I95 PolarHBondContact N-O 3.48Å; E87-I95 PolarHBondContact O-N 2.84Å; P93-I95 HydrophobicContact CG-CD1 3.99Å; I95-R97 HydrophobicContact CG2-CG 3.71Å
96	L	98.7	Very high	97	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.6	163.9	179.5	68.1	0	0	0	108.2	R39 L40 W53 M65 M79 A86 Y109	R39-L96 WeakPolarHBondContact CA-O 3.37Å; L40-L96 HydrophobicContact CB-CB 4.37Å; L40-L96 HydrophobicContact CD1-CD2 4.21Å; L40-L96 PolarHBondContact N-O 2.93Å; L40-L96 PolarHBondContact O-N 3.11Å; W53-L96 HydrophobicContact CD2-CB 3.78Å; W53-L96 HydrophobicContact CD2-CD2 4.06Å; W53-L96 HydrophobicContact CD2-CG 4.44Å; W53-L96 HydrophobicContact CE3-CB 3.99Å; W53-L96 HydrophobicContact CE3-CD2 3.76Å; W53-L96 HydrophobicContact CE3-CG 4.5Å; W53-L96 HydrophobicContact CG-CB 4.33Å; W53-L96 HydrophobicContact CG-CD2 4.41Å; W53-L96 HydrophobicContact CH2-CB 4.03Å; W53-L96 HydrophobicContact CZ2-CB 3.83Å; W53-L96 HydrophobicContact CZ3-CB 4.1Å; W53-L96 HydrophobicContact CZ3-CD2 4.26Å; M65-L96 HydrophobicContact CE-CD1 4.24Å; M65-L96 HydrophobicContact CE-CD2 4.35Å; M65-L96 HydrophobicContact SD-CD2 4.11Å; M79-L96 HydrophobicContact CE-CD1 3.92Å; A86-L96 HydrophobicContact CB-CD1 4.19Å; L96-Y109 HydrophobicContact CD2-CD1 3.65Å; L96-Y109 HydrophobicContact CD2-CE1 4.19Å; L96-Y109 HydrophobicContact CD2-CG 4.43Å
97	R	98.5	Very high	96.9	Very high	46 Å²	46	60.6 Å²	60.6	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.6	177.8	-56.9	-167.5	-179.4	92.8	-1.1	110.8	A38 R39 F84 S85 E87 I95	A38-R97 WeakPolarHBondContact O-CA 3.24Å; R39-R97 HydrophobicContact CG-CG 4.27Å; F84-R97 WeakPolarHBondContact CA-O 3.43Å; S85-R97 PolarHBondContact N-O 3.1Å; S85-R97 PolarHBondContact O-N 3.01Å; E87-R97 VanDerWaalsContact CD-NH2 3.29Å; E87-R97 IonicContact OE1-CZ 3.28Å; E87-R97 VanDerWaalsContact OE1-CZ 3.28Å; E87-R97 IonicContact OE1-NH1 3.27Å; E87-R97 PolarHBondContact OE1-NH1 2.89Å; E87-R97 IonicContact OE1-NH2 2.66Å; E87-R97 PolarHBondContact OE1-NH2 2.76Å; E87-R97 IonicContact OE2-CZ 3.44Å; E87-R97 IonicContact OE2-NH1 2.69Å; E87-R97 PolarHBondContact OE2-NH1 3.25Å; E87-R97 IonicContact OE2-NH2 3.3Å; E87-R97 PolarHBondContact OE2-NH2 3.42Å; I95-R97 HydrophobicContact CG2-CG 3.71Å
98	I	98.4	Very high	96.9	Very high	5 Å²	5	59 Å²	59	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.8	170.2	-42.1	177.5	0	0	0	107.1	E37 A38 R83 F84 V101 D105 Y109	E37-I98 WeakPolarHBondContact CA-O 3.38Å; A38-I98 HydrophobicContact CB-CB 4.2Å; A38-I98 HydrophobicContact CB-CD1 4.41Å; A38-I98 HydrophobicContact CB-CG1 4.4Å; A38-I98 PolarHBondContact N-O 2.83Å; A38-I98 PolarHBondContact O-N 3.41Å; R83-I98 CarbonylContact O-C 3.58Å; R83-I98 WeakPolarHBondContact O-CA 2.99Å; F84-I98 HydrophobicContact CD1-CB 4.49Å; F84-I98 HydrophobicContact CD1-CD1 4.2Å; F84-I98 HydrophobicContact CD1-CG1 3.74Å; F84-I98 HydrophobicContact CD1-CG2 4.36Å; F84-I98 HydrophobicContact CD2-CG2 4.31Å; F84-I98 HydrophobicContact CE1-CB 4.29Å; F84-I98 HydrophobicContact CE1-CD1 3.42Å; F84-I98 VanDerWaalsContact CE1-CD1 3.42Å; F84-I98 HydrophobicContact CE1-CG1 3.47Å; F84-I98 VanDerWaalsContact CE1-CG1 3.47Å; F84-I98 HydrophobicContact CE1-CG2 3.97Å; F84-I98 HydrophobicContact CE2-CG2 3.88Å; F84-I98 HydrophobicContact CZ-CD1 3.89Å; F84-I98 HydrophobicContact CZ-CG1 4.08Å; F84-I98 HydrophobicContact CZ-CG2 3.7Å; I98-V101 HydrophobicContact CB-CG1 4.03Å; I98-V101 HydrophobicContact CG2-CG1 4Å; I98-D105 HydrophobicContact CD1-CB 4.42Å; I98-Y109 HydrophobicContact CD1-CE1 4.18Å; I98-Y109 HydrophobicContact CD1-CE2 4.28Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.47Å
99	Q	97.8	Very high	96.9	Very high	95 Å²	95	60.5 Å²	60.5	44%	0.444	33%	0.327	S	S	.	.	S	Bend	trans	-77.5	140.8	173.1	-63.2	-179.4	-7.2	0	0	109.4	R83 V101	R83-Q99 WeakPolarHBondContact CB-O 3.32Å; R83-Q99 PolarHBondContact NH1-O 2.68Å; R83-Q99 PolarHBondContact O-N 3.32Å; Q99-V101 PolarHBondContact O-N 2.95Å
100	Q	97	Very high	96.8	Very high	122 Å²	122	62.5 Å²	62.5	57%	0.57	33%	0.331	S	S	*	.	S	Bend	trans	50.4	64	175.9	-58.5	-60.5	-48.1	0	0	112.7	G35 R83 V102	G35-Q100 PolarHBondContact O-NE2 2.89Å; G35-Q100 PolarHBondContact O-OE1 2.87Å; R83-Q100 PolarHBondContact NH1-O 3.16Å; Q100-V102 PolarHBondContact O-N 2.95Å
101	V	97.9	Very high	97	Very high	13 Å²	13	56.2 Å²	56.2	8%	0.079	31%	0.305	C	S	.	.			trans	-57.1	141.9	-176.5	-62.6	0	0	0	0	112.1	R32 R33 R34 G35 Q36 A38 I98 Q99 D105	R32-V101 HydrophobicContact CB-CG2 3.78Å; R33-V101 WeakPolarHBondContact O-CG2 3.47Å; R34-V101 CarbonylContact C-O 3.57Å; R34-V101 VanDerWaalsContact CA-O 3.29Å; R34-V101 WeakPolarHBondContact CA-O 3.35Å; G35-V101 PolarHBondContact N-O 3.01Å; Q36-V101 WeakPolarHBondContact O-CG1 3.44Å; Q36-V101 WeakPolarHBondContact O-CG2 3.47Å; Q36-V101 PolarHBondContact O-N 3.14Å; A38-V101 HydrophobicContact CB-CG1 3.64Å; I98-V101 HydrophobicContact CB-CG1 4.03Å; I98-V101 HydrophobicContact CG2-CG1 4Å; Q99-V101 PolarHBondContact O-N 2.95Å; V101-D105 WeakPolarHBondContact CA-OD2 3.44Å
102	V	96.9	Very high	97.2	Very high	57 Å²	57	49.5 Å²	49.5	35%	0.345	28%	0.28	S	S	.	.			trans	-120.4	165.6	173.3	-60.6	0	0	0	0	110.1	Q100 G104 D105	Q100-V102 PolarHBondContact O-N 2.95Å; V102-G104 PolarHBondContact O-N 2.79Å; V102-G104 VanDerWaalsContact O-N 3.16Å; V102-D105 WeakPolarHBondContact CG2-OD2 3.34Å; V102-D105 PolarHBondContact N-OD2 3.19Å; V102-D105 WeakPolarHBondContact O-CB 3.25Å; V102-D105 PolarHBondContact O-N 3.37Å
103	R	95.4	Very high	97.3	Very high	235 Å²	235	48.1 Å²	48.1	89%	0.887	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-56.3	-33	179.7	-171.3	178.9	-177.7	-175.1	0.6	112.8	D105 S106	R103-D105 PolarHBondContact O-N 3.11Å; R103-S106 WeakPolarHBondContact O-CB 3.47Å; R103-S106 PolarHBondContact O-N 3.33Å; R103-S106 PolarHBondContact O-OG 2.76Å
104	G	94.1	Very high	97.2	Very high	53 Å²	53	48.9 Å²	48.9	55%	0.546	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-68.6	-9	177	0	0	0	0	0	115.1	V102 S106	V102-G104 PolarHBondContact O-N 2.79Å; V102-G104 VanDerWaalsContact O-N 3.16Å; G104-S106 VanDerWaalsContact C-N 3.34Å
105	D	96.1	Very high	96.9	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.07	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-86.7	-7.1	175.9	-57.4	-37.5	0	0	0	112.8	R83 F84 I98 V101 V102 R103 A107 Y109	R83-D105 IonicContact CZ-OD1 3.59Å; R83-D105 IonicContact CZ-OD2 3.45Å; R83-D105 IonicContact NH1-OD1 3.51Å; R83-D105 IonicContact NH1-OD2 2.7Å; R83-D105 PolarHBondContact NH1-OD2 3.28Å; R83-D105 IonicContact NH2-OD1 2.76Å; R83-D105 PolarHBondContact NH2-OD1 3.11Å; R83-D105 IonicContact NH2-OD2 3.35Å; R83-D105 PolarHBondContact NH2-OD2 3.41Å; F84-D105 WeakPolarHBondContact CZ-OD1 3.37Å; I98-D105 HydrophobicContact CD1-CB 4.42Å; V101-D105 WeakPolarHBondContact CA-OD2 3.44Å; V102-D105 WeakPolarHBondContact CG2-OD2 3.34Å; V102-D105 PolarHBondContact N-OD2 3.19Å; V102-D105 WeakPolarHBondContact O-CB 3.25Å; V102-D105 PolarHBondContact O-N 3.37Å; R103-D105 PolarHBondContact O-N 3.11Å; D105-A107 PolarHBondContact O-N 2.87Å; D105-Y109 WeakPolarHBondContact O-CE2 3.14Å; D105-Y109 PolarHBondContact O-OH 2.86Å
106	S	96.6	Very high	96.9	Very high	85 Å²	85	56 Å²	56	59%	0.594	31%	0.313	S	S	*	.			trans	-65.2	105.6	176	-65.8	0	0	0	0	110.4	R103 G104	R103-S106 WeakPolarHBondContact O-CB 3.47Å; R103-S106 PolarHBondContact O-N 3.33Å; R103-S106 PolarHBondContact O-OG 2.76Å; G104-S106 VanDerWaalsContact C-N 3.34Å
107	A	97	Very high	96.8	Very high	31 Å²	31	58.9 Å²	58.9	26%	0.256	33%	0.329	S	S	.	.	S	Bend	trans	-156.7	166.8	-174.5	0	0	0	0	0	109.9	R55 Q56 L57 D105 Y109	R55-A107 HydrophobicContact CG-CB 3.67Å; Q56-A107 WeakPolarHBondContact O-CB 3.37Å; L57-A107 HydrophobicContact CD2-CB 3.9Å; L57-A107 HydrophobicContact CG-CB 4.47Å; D105-A107 PolarHBondContact O-N 2.87Å; A107-Y109 HydrophobicContact CB-CD2 4.35Å; A107-Y109 HydrophobicContact CB-CE2 3.78Å; A107-Y109 WeakPolarHBondContact O-CD2 3.42Å
108	A	97.7	Very high	96.7	Very high	42 Å²	42	59.6 Å²	59.6	35%	0.347	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.8	160.8	0	0	0	0	0	109.3	R55 Q56 F110	R55-A108 WeakPolarHBondContact CA-O 3.49Å; Q56-A108 HydrophobicContact CB-CB 4.36Å; Q56-A108 PolarHBondContact N-O 3.27Å; Q56-A108 PolarHBondContact O-N 3.16Å; A108-F110 HydrophobicContact CB-CD2 4.39Å; A108-F110 HydrophobicContact CB-CE2 3.52Å; A108-F110 HydrophobicContact CB-CZ 3.72Å
109	Y	97.9	Very high	96.6	Very high	33 Å²	33	62.8 Å²	62.8	13%	0.129	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.4	178.1	-68.5	-92.3	0	0	0	108.9	Q25 L40 Y54 R55 M65 F84 L96 I98 D105 A107	Q25-Y109 PolarHBondContact NE2-O 2.66Å; L40-Y109 VanDerWaalsContact CD1-CB 3.45Å; L40-Y109 HydrophobicContact CD1-CD1 4.21Å; L40-Y109 HydrophobicContact CD1-CD2 3.86Å; L40-Y109 HydrophobicContact CD1-CG 3.58Å; Y54-Y109 WeakPolarHBondContact O-CA 3.34Å; R55-Y109 HydrophobicContact CB-CD1 4.2Å; R55-Y109 HydrophobicContact CB-CE1 4.09Å; R55-Y109 HydrophobicContact CG-CD1 4.24Å; R55-Y109 HydrophobicContact CG-CE1 3.81Å; M65-Y109 HydrophobicContact CE-CE1 4.31Å; M65-Y109 HydrophobicContact SD-CD1 3.99Å; M65-Y109 HydrophobicContact SD-CE1 4.01Å; F84-Y109 HydrophobicContact CE1-CE1 4.08Å; L96-Y109 HydrophobicContact CD2-CD1 3.65Å; L96-Y109 HydrophobicContact CD2-CE1 4.19Å; L96-Y109 HydrophobicContact CD2-CG 4.43Å; I98-Y109 HydrophobicContact CD1-CE1 4.18Å; I98-Y109 HydrophobicContact CD1-CE2 4.28Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.47Å; D105-Y109 WeakPolarHBondContact O-CE2 3.14Å; D105-Y109 PolarHBondContact O-OH 2.86Å; A107-Y109 HydrophobicContact CB-CD2 4.35Å; A107-Y109 HydrophobicContact CB-CE2 3.78Å; A107-Y109 WeakPolarHBondContact O-CD2 3.42Å
110	F	97.2	Very high	96.5	Very high	85 Å²	85	60.8 Å²	60.8	37%	0.373	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.1	-177.1	-59	-83.4	0	0	0	109.6	W53 Y54 Q56 L62 A108	W53-F110 WeakPolarHBondContact CA-O 3.3Å; Y54-F110 PolarHBondContact N-O 3.47Å; Y54-F110 PolarHBondContact O-N 2.92Å; Q56-F110 HydrophobicContact CB-CD2 4.46Å; Q56-F110 HydrophobicContact CB-CE2 3.91Å; L62-F110 HydrophobicContact CD1-CD2 3.47Å; L62-F110 VanDerWaalsContact CD1-CD2 3.47Å; L62-F110 HydrophobicContact CD1-CE2 4.01Å; L62-F110 HydrophobicContact CD1-CG 4.31Å; A108-F110 HydrophobicContact CB-CD2 4.39Å; A108-F110 HydrophobicContact CB-CE2 3.52Å; A108-F110 HydrophobicContact CB-CZ 3.72Å
111	C	97.4	Very high	96.5	Very high	12 Å²	12	56.7 Å²	56.7	8%	0.081	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.2	165.5	80.4	0	0	0	0	110.6	Q25 C42 Y52 W53	Q25-C111 HydrophobicContact CG-CB 4.34Å; Q25-C111 WeakPolarHBondContact CG-SG 3.41Å; C42-C111 HydrophobicContact CB-CB 3.56Å; C42-C111 WeakPolarHBondContact CB-SG 3.46Å; C42-C111 WeakPolarHBondContact SG-CB 3.4Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 3.12Å; Y52-C111 CarbonylContact O-C 3.58Å; Y52-C111 WeakPolarHBondContact O-CA 3.15Å; Y52-C111 WeakPolarHBondContact O-CB 3.37Å; W53-C111 HydrophobicContact CD2-CB 3.98Å; W53-C111 HydrophobicContact CE3-CB 3.83Å; W53-C111 HydrophobicContact CH2-CB 4.21Å; W53-C111 HydrophobicContact CZ2-CB 4.33Å; W53-C111 HydrophobicContact CZ3-CB 3.95Å
112	A	97.2	Very high	96.4	Very high	36 Å²	36	59.9 Å²	59.9	30%	0.298	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	165.5	169.7	0	0	0	0	0	108.9	V51 Y52 Y54	V51-A112 WeakPolarHBondContact CA-O 3.47Å; Y52-A112 HydrophobicContact CD2-CB 4.32Å; Y52-A112 PolarHBondContact N-O 2.87Å; Y52-A112 PolarHBondContact O-N 3.37Å; Y54-A112 HydrophobicContact CE2-CB 4.23Å
113	S	96.3	Very high	96.3	Very high	19 Å²	19	60.1 Å²	60.1	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.6	174.7	65.2	0	0	0	0	112	G22 V23 P44 H48 H50	G22-S113 PolarHBondContact O-OG 3.48Å; V23-S113 WeakPolarHBondContact CG1-OG 3.24Å; P44-S113 VanDerWaalsContact CB-CB 3.45Å; P44-S113 WeakPolarHBondContact CB-OG 3.41Å; H48-S113 VanDerWaalsContact ND1-C 3.34Å; H48-S113 PolarHBondContact ND1-O 3.12Å; H48-S113 PolarHBondContact ND1-OG 3.32Å; H50-S113 WeakPolarHBondContact O-CA 3.39Å; H50-S113 WeakPolarHBondContact O-CB 3.3Å
114	S	95.9	Very high	96.4	Very high	34 Å²	34	45.5 Å²	45.5	24%	0.238	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.8	174.6	51.7	0	0	0	0	110.8	H48 S49 H50 Y52	H48-S114 CarbonylContact C-O 3.51Å; H48-S114 WeakPolarHBondContact CA-O 3.19Å; H48-S114 WeakPolarHBondContact CB-O 3.22Å; H48-S114 VanDerWaalsContact CG-C 3.41Å; H48-S114 PolarHBondContact ND1-N 3.35Å; S49-S114 PolarHBondContact N-O 2.59Å; S49-S114 VanDerWaalsContact N-O 3.11Å; H50-S114 VanDerWaalsContact CB-OG 3.27Å; H50-S114 WeakPolarHBondContact CB-OG 3.49Å; H50-S114 PolarHBondContact N-O 2.86Å; H50-S114 VanDerWaalsContact N-O 3.14Å; H50-S114 PolarHBondContact O-N 3.47Å; Y52-S114 WeakPolarHBondContact CE2-OG 3.27Å; Y52-S114 PolarHBondContact OH-OG 2.68Å
115	P	93.5	Very high	96.6	Very high	103 Å²	103	44.8 Å²	44.8	67%	0.669	29%	0.29	S	S	*	.			trans	-44	0	169.5	-30.2	38.5	0	0	0	112	S49 H50	S49-P115 VanDerWaalsContact CB-OXT 3.3Å; S49-P115 WeakPolarHBondContact CB-OXT 3.43Å; S49-P115 PolarHBondContact N-OXT 3.11Å; S49-P115 PolarHBondContact OG-OXT 3.27Å; H50-P115 PolarHBondContact CE1-O 3.14Å; H50-P115 VanDerWaalsContact ND1-C 3.28Å; H50-P115 PolarHBondContact ND1-O 3.19Å; H50-P115 PolarHBondContact ND1-OXT 3.44Å

Retrieved 115 of 115 residues in 411.8 ms (Link to these results)

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