A0A060XMJ2_ONCMY Loading...

Guanine nucleotide binding protein (G protein), beta polypeptide 3a

AlphaFold DB (A0A1S3P5Z8), UniProt , Accession A0A060XMJ2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gnb3a, Length 340 aa.

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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	59.7	Low	90.7	Very high	222 Å²	222	123.3 Å²	123.3	100%	1.094	61%	0.606	S	S	*	*				0	-19.5	0	-125	-178.3	-75.3	0	0	112.7
2	G	83.8	Confident	91.1	Very high	40 Å²	40	118.3 Å²	118.3	41%	0.412	58%	0.584	S	S	.	*	H	α-helix	trans	-77.4	-50.2	-178.6	0	0	0	0	0	116.3	M4 E5 E6	G2-M4 PolarHBondContact O-N 2.74Å; G2-E5 PolarHBondContact O-N 2.91Å; G2-E6 WeakPolarHBondContact O-CG 2.86Å; G2-E6 PolarHBondContact O-N 3.26Å
3	E	92.5	Very high	91.6	Very high	150 Å²	150	116.5 Å²	116.5	70%	0.701	58%	0.578	S	S	*	*	H	α-helix	trans	-63.6	-44.1	-168.5	-172	178.4	-175.8	0	0	114.6	E5 E6 L7	E3-E5 VanDerWaalsContact C-N 3.31Å; E3-E5 PolarHBondContact O-N 3.32Å; E3-E6 PolarHBondContact O-N 2.79Å; E3-L7 HydrophobicContact CG-CD1 4.43Å; E3-L7 WeakPolarHBondContact O-CG 3.32Å; E3-L7 PolarHBondContact O-N 3.16Å
4	M	92.9	Very high	92.1	Very high	162 Å²	162	114.1 Å²	114.1	80%	0.798	57%	0.568	S	S	*	*	H	α-helix	trans	-66.1	-34.6	178.5	-174.1	-178.9	-72.3	0	0	112.3	G2 R8	G2-M4 PolarHBondContact O-N 2.74Å; M4-R8 WeakPolarHBondContact O-CB 3.42Å; M4-R8 PolarHBondContact O-N 3.15Å; M4-R8 VanDerWaalsContact O-N 3.08Å
5	E	94.4	Very high	92.3	Very high	101 Å²	101	114.5 Å²	114.5	47%	0.472	57%	0.565	S	S	.	*	H	α-helix	trans	-75.6	-34.9	178.1	-163.3	179.5	146.4	0	0	111.5	G2 E3 R8 K9	G2-E5 PolarHBondContact O-N 2.91Å; E3-E5 VanDerWaalsContact C-N 3.31Å; E3-E5 PolarHBondContact O-N 3.32Å; E5-R8 PolarHBondContact O-N 3.49Å; E5-K9 WeakPolarHBondContact O-CG 3.09Å; E5-K9 PolarHBondContact O-N 3.41Å; E5-K9 WeakPolarHBondContact OE1-CE 3.35Å; E5-K9 IonicContact OE1-NZ 2.85Å; E5-K9 PolarHBondContact OE1-NZ 2.91Å
6	E	95.5	Very high	92.5	Very high	131 Å²	131	114.1 Å²	114.1	61%	0.612	57%	0.565	S	S	*	*	H	α-helix	trans	-61.1	-50.9	171.1	-75.6	168.8	-172	0	0	111.2	G2 E3 R8 K9 E10	G2-E6 WeakPolarHBondContact O-CG 2.86Å; G2-E6 PolarHBondContact O-N 3.26Å; E3-E6 PolarHBondContact O-N 2.79Å; E6-R8 VanDerWaalsContact C-N 3.29Å; E6-R8 PolarHBondContact O-N 3.19Å; E6-K9 PolarHBondContact O-N 3.05Å; E6-E10 WeakPolarHBondContact O-CB 3.31Å; E6-E10 PolarHBondContact O-N 2.73Å
7	L	96.4	Very high	92.8	Very high	99 Å²	99	114.8 Å²	114.8	52%	0.518	57%	0.567	S	S	.	*	H	α-helix	trans	-61.2	-37.2	177.2	-70.9	172.5	0	0	0	112.4	E3 E10 A11	E3-L7 HydrophobicContact CG-CD1 4.43Å; E3-L7 WeakPolarHBondContact O-CG 3.32Å; E3-L7 PolarHBondContact O-N 3.16Å; L7-E10 PolarHBondContact O-N 3.19Å; L7-A11 WeakPolarHBondContact O-CB 3.43Å; L7-A11 PolarHBondContact O-N 3.32Å
8	R	94.9	Very high	93	Very high	180 Å²	180	113 Å²	113	68%	0.679	56%	0.559	S	S	*	*	H	α-helix	trans	-64.5	-46.1	175.5	-174.7	177.1	178.5	174.8	2.5	111.5	M4 E5 E6 E10 A11 D12	M4-R8 WeakPolarHBondContact O-CB 3.42Å; M4-R8 PolarHBondContact O-N 3.15Å; M4-R8 VanDerWaalsContact O-N 3.08Å; E5-R8 PolarHBondContact O-N 3.49Å; E6-R8 VanDerWaalsContact C-N 3.29Å; E6-R8 PolarHBondContact O-N 3.19Å; R8-E10 VanDerWaalsContact C-N 3.32Å; R8-E10 PolarHBondContact O-N 3.06Å; R8-A11 PolarHBondContact O-N 2.78Å; R8-D12 PolarHBondContact O-N 3.04Å
9	K	95.7	Very high	93.1	Very high	117 Å²	117	110.3 Å²	110.3	51%	0.509	55%	0.55	S	S	.	.	H	α-helix	trans	-62.6	-40.7	176.2	-74.9	170.7	-174.7	161.3	0	111.5	E5 E6 D12 N13	E5-K9 WeakPolarHBondContact O-CG 3.09Å; E5-K9 PolarHBondContact O-N 3.41Å; E5-K9 WeakPolarHBondContact OE1-CE 3.35Å; E5-K9 IonicContact OE1-NZ 2.85Å; E5-K9 PolarHBondContact OE1-NZ 2.91Å; E6-K9 PolarHBondContact O-N 3.05Å; K9-D12 PolarHBondContact O-N 3.33Å; K9-N13 WeakPolarHBondContact O-CB 3.17Å; K9-N13 PolarHBondContact O-N 3.09Å; K9-N13 PolarHBondContact O-ND2 3.36Å
10	E	97.3	Very high	93.3	Very high	111 Å²	111	110.2 Å²	110.2	52%	0.519	55%	0.547	S	S	.	.	H	α-helix	trans	-61.3	-46.5	174.9	-174	178.6	-179.6	0	0	111.5	E6 L7 R8 D12 N13 L14	E6-E10 WeakPolarHBondContact O-CB 3.31Å; E6-E10 PolarHBondContact O-N 2.73Å; L7-E10 PolarHBondContact O-N 3.19Å; R8-E10 VanDerWaalsContact C-N 3.32Å; R8-E10 PolarHBondContact O-N 3.06Å; E10-D12 PolarHBondContact O-N 3.46Å; E10-N13 PolarHBondContact O-N 3.24Å; E10-L14 HydrophobicContact CG-CD1 4.27Å; E10-L14 WeakPolarHBondContact O-CG 3.37Å; E10-L14 PolarHBondContact O-N 3.28Å
11	A	95	Very high	93.5	Very high	43 Å²	43	107.7 Å²	107.7	36%	0.355	54%	0.544	S	S	.	.	H	α-helix	trans	-61.3	-42.8	177.6	0	0	0	0	0	112.5	L7 R8 L14 K15	L7-A11 WeakPolarHBondContact O-CB 3.43Å; L7-A11 PolarHBondContact O-N 3.32Å; R8-A11 PolarHBondContact O-N 2.78Å; A11-L14 PolarHBondContact O-N 3.3Å; A11-K15 WeakPolarHBondContact O-CG 2.99Å; A11-K15 PolarHBondContact O-N 2.89Å; A11-K15 VanDerWaalsContact O-N 3.07Å
12	D	95.5	Very high	95.2	Very high	64 Å²	64	99 Å²	99	34%	0.342	50%	0.499	S	S	.	.	H	α-helix	trans	-67.6	-40.9	177.7	-68.5	-24.5	0	0	0	111.2	R8 K9 E10 L14 K15 D16	R8-D12 PolarHBondContact O-N 3.04Å; K9-D12 PolarHBondContact O-N 3.33Å; E10-D12 PolarHBondContact O-N 3.46Å; D12-L14 VanDerWaalsContact C-N 3.34Å; D12-L14 PolarHBondContact O-N 2.84Å; D12-K15 WeakPolarHBondContact O-CB 3.32Å; D12-K15 PolarHBondContact O-N 2.71Å; D12-K15 IonicContact OD1-NZ 3.51Å; D12-K15 PolarHBondContact OD1-NZ 2.85Å; D12-D16 PolarHBondContact O-N 3.33Å
13	N	97.6	Very high	95.8	Very high	94 Å²	94	102.7 Å²	102.7	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-60.2	-40.9	173.1	-73.8	-19.8	0	0	0	112.5	K9 E10 D16 Q17	K9-N13 WeakPolarHBondContact O-CB 3.17Å; K9-N13 PolarHBondContact O-N 3.09Å; K9-N13 PolarHBondContact O-ND2 3.36Å; E10-N13 PolarHBondContact O-N 3.24Å; N13-D16 PolarHBondContact O-N 2.82Å; N13-Q17 WeakPolarHBondContact O-CG 3.09Å; N13-Q17 PolarHBondContact O-N 2.96Å
14	L	97.7	Very high	96	Very high	83 Å²	83	100.8 Å²	100.8	44%	0.435	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-38.3	177	-73.9	169.9	0	0	0	111.7	E10 A11 D12 D16 Q17 I18	E10-L14 HydrophobicContact CG-CD1 4.27Å; E10-L14 WeakPolarHBondContact O-CG 3.37Å; E10-L14 PolarHBondContact O-N 3.28Å; A11-L14 PolarHBondContact O-N 3.3Å; D12-L14 VanDerWaalsContact C-N 3.34Å; D12-L14 PolarHBondContact O-N 2.84Å; L14-D16 VanDerWaalsContact C-N 3.34Å; L14-Q17 PolarHBondContact O-N 3.45Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 2.87Å
15	K	95.2	Very high	96.1	Very high	121 Å²	121	97.2 Å²	97.2	53%	0.526	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-40.6	173.9	-70.3	170.1	-170.5	164.3	0	111.9	A11 D12 I18 T19	A11-K15 WeakPolarHBondContact O-CG 2.99Å; A11-K15 PolarHBondContact O-N 2.89Å; A11-K15 VanDerWaalsContact O-N 3.07Å; D12-K15 WeakPolarHBondContact O-CB 3.32Å; D12-K15 PolarHBondContact O-N 2.71Å; D12-K15 IonicContact OD1-NZ 3.51Å; D12-K15 PolarHBondContact OD1-NZ 2.85Å; K15-I18 PolarHBondContact O-N 3.25Å; K15-T19 WeakPolarHBondContact O-CB 3.4Å; K15-T19 PolarHBondContact O-N 3.29Å; K15-T19 PolarHBondContact O-OG1 3.3Å
16	D	96.3	Very high	96	Very high	107 Å²	107	97.4 Å²	97.4	57%	0.572	49%	0.49	S	S	*	.	H	α-helix	trans	-64.7	-42.3	176.5	-72	-18.5	0	0	0	111.2	D12 N13 L14 I18 T19 E20	D12-D16 PolarHBondContact O-N 3.33Å; N13-D16 PolarHBondContact O-N 2.82Å; L14-D16 VanDerWaalsContact C-N 3.34Å; D16-I18 PolarHBondContact O-N 3.23Å; D16-T19 PolarHBondContact O-N 3.22Å; D16-E20 PolarHBondContact O-N 3.47Å
17	Q	97.8	Very high	96	Very high	127 Å²	127	98.3 Å²	98.3	59%	0.593	50%	0.499	S	S	*	.	H	α-helix	trans	-60.3	-43.6	174.5	-72.7	174.6	18.4	0	0	112.3	N13 L14 E20 A21	N13-Q17 WeakPolarHBondContact O-CG 3.09Å; N13-Q17 PolarHBondContact O-N 2.96Å; L14-Q17 PolarHBondContact O-N 3.45Å; Q17-E20 PolarHBondContact O-N 3.11Å; Q17-A21 WeakPolarHBondContact O-CB 3.34Å; Q17-A21 PolarHBondContact O-N 3.04Å
18	I	96.6	Very high	95.9	Very high	82 Å²	82	96.6 Å²	96.6	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-62.9	-45.1	175.9	-69.2	164.7	0	0	0	110.5	L14 K15 D16 E20 A21 R22	L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 2.87Å; K15-I18 PolarHBondContact O-N 3.25Å; D16-I18 PolarHBondContact O-N 3.23Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.17Å; I18-A21 PolarHBondContact O-N 2.86Å; I18-R22 HydrophobicContact CG2-CG 4.5Å; I18-R22 WeakPolarHBondContact O-CG 3.36Å; I18-R22 PolarHBondContact O-N 3.41Å
19	T	95	Very high	96	Very high	62 Å²	62	90.4 Å²	90.4	38%	0.38	48%	0.475	S	S	.	.	H	α-helix	trans	-60.8	-42.8	179.4	-59.4	0	0	0	0	111.3	K15 D16 K23	K15-T19 WeakPolarHBondContact O-CB 3.4Å; K15-T19 PolarHBondContact O-N 3.29Å; K15-T19 PolarHBondContact O-OG1 3.3Å; D16-T19 PolarHBondContact O-N 3.22Å; T19-K23 WeakPolarHBondContact O-CG 3.45Å; T19-K23 PolarHBondContact O-N 3.15Å; T19-K23 VanDerWaalsContact O-N 3.15Å
20	E	96.6	Very high	95.9	Very high	107 Å²	107	86.5 Å²	86.5	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-68.3	-43.1	176.8	-168.7	58.3	-156.7	0	0	111.8	D16 Q17 I18 R22 K23 V24	D16-E20 PolarHBondContact O-N 3.47Å; Q17-E20 PolarHBondContact O-N 3.11Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.17Å; E20-R22 VanDerWaalsContact C-N 3.3Å; E20-R22 PolarHBondContact O-N 2.91Å; E20-K23 WeakPolarHBondContact O-CB 3.33Å; E20-K23 PolarHBondContact O-N 2.82Å; E20-K23 VanDerWaalsContact O-N 3.15Å; E20-V24 WeakPolarHBondContact O-CG2 3.33Å; E20-V24 PolarHBondContact O-N 3.3Å
21	A	97.3	Very high	95.7	Very high	58 Å²	58	85.5 Å²	85.5	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-58.9	-40.3	176.4	0	0	0	0	0	112.4	Q17 I18 V24 V25	Q17-A21 WeakPolarHBondContact O-CB 3.34Å; Q17-A21 PolarHBondContact O-N 3.04Å; I18-A21 PolarHBondContact O-N 2.86Å; A21-V24 PolarHBondContact O-N 2.98Å; A21-V25 PolarHBondContact O-N 3.01Å
22	R	96.3	Very high	95.6	Very high	39 Å²	39	89.3 Å²	89.3	15%	0.147	47%	0.466	C	S	.	.	H	α-helix	trans	-63.5	-43.3	174.9	-73.3	171.5	178.2	177	-7.1	112	I18 E20 V24 V25 Q26 T221 D258 Q259	I18-R22 HydrophobicContact CG2-CG 4.5Å; I18-R22 WeakPolarHBondContact O-CG 3.36Å; I18-R22 PolarHBondContact O-N 3.41Å; E20-R22 VanDerWaalsContact C-N 3.3Å; E20-R22 PolarHBondContact O-N 2.91Å; R22-V24 PolarHBondContact O-N 3.34Å; R22-V25 VanDerWaalsContact O-CG2 3.24Å; R22-V25 WeakPolarHBondContact O-CG2 3.42Å; R22-V25 PolarHBondContact O-N 2.98Å; R22-Q26 PolarHBondContact O-N 2.81Å; R22-T221 PolarHBondContact NH2-O 3.31Å; R22-D258 VanDerWaalsContact CZ-O 3.23Å; R22-D258 IonicContact CZ-OD2 3.94Å; R22-D258 VanDerWaalsContact CZ-OD2 3.24Å; R22-D258 PolarHBondContact NE-O 2.87Å; R22-D258 IonicContact NE-OD2 2.82Å; R22-D258 PolarHBondContact NE-OD2 2.88Å; R22-D258 PolarHBondContact NH2-O 2.89Å; R22-D258 IonicContact NH2-OD1 3.16Å; R22-D258 IonicContact NH2-OD2 3.63Å; R22-D258 PolarHBondContact NH2-OD2 3.47Å; R22-Q259 HydrophobicContact CG-CB 4.49Å; R22-Q259 PolarHBondContact O-NE2 3Å
23	K	94.8	Very high	95.6	Very high	118 Å²	118	89.7 Å²	89.7	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-40.4	175.8	-71.8	172.2	-175.3	169.7	0	112.4	T19 E20 V25 Q26	T19-K23 WeakPolarHBondContact O-CG 3.45Å; T19-K23 PolarHBondContact O-N 3.15Å; T19-K23 VanDerWaalsContact O-N 3.15Å; E20-K23 WeakPolarHBondContact O-CB 3.33Å; E20-K23 PolarHBondContact O-N 2.82Å; E20-K23 VanDerWaalsContact O-N 3.15Å; K23-V25 PolarHBondContact O-N 3.15Å; K23-Q26 PolarHBondContact O-N 2.82Å; K23-Q26 VanDerWaalsContact O-N 3.13Å
24	V	96.7	Very high	95.5	Very high	111 Å²	111	86 Å²	86	67%	0.673	46%	0.459	S	S	*	.	H	α-helix	trans	-59.6	-34.3	179.1	169.4	0	0	0	0	111.9	E20 A21 R22	E20-V24 WeakPolarHBondContact O-CG2 3.33Å; E20-V24 PolarHBondContact O-N 3.3Å; A21-V24 PolarHBondContact O-N 2.98Å; R22-V24 PolarHBondContact O-N 3.34Å
25	V	95.3	Very high	95.2	Very high	86 Å²	86	85.5 Å²	85.5	52%	0.521	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.1	-180	-58.4	0	0	0	0	113.7	A21 R22 K23 D27	A21-V25 PolarHBondContact O-N 3.01Å; R22-V25 VanDerWaalsContact O-CG2 3.24Å; R22-V25 WeakPolarHBondContact O-CG2 3.42Å; R22-V25 PolarHBondContact O-N 2.98Å; K23-V25 PolarHBondContact O-N 3.15Å; V25-D27 PolarHBondContact O-N 3.36Å; V25-D27 VanDerWaalsContact O-N 3.15Å
26	Q	93.3	Very high	95.1	Very high	105 Å²	105	83.6 Å²	83.6	49%	0.491	48%	0.481	S	S	.	.			trans	-86.1	75.8	177.4	-167.2	179.8	9.4	0	0	110.3	R22 K23	R22-Q26 PolarHBondContact O-N 2.81Å; K23-Q26 PolarHBondContact O-N 2.82Å; K23-Q26 VanDerWaalsContact O-N 3.13Å
27	D	94.8	Very high	95	Very high	150 Å²	150	81 Å²	81	80%	0.802	47%	0.469	S	S	*	.			trans	-81.5	-27.2	-174.8	64.9	-26.9	0	0	0	114.3	V25	V25-D27 PolarHBondContact O-N 3.36Å; V25-D27 VanDerWaalsContact O-N 3.15Å
28	T	95.3	Very high	94.8	Very high	63 Å²	63	80.4 Å²	80.4	39%	0.387	47%	0.474	S	S	.	.			trans	-149.8	172.7	176.6	-168.8	0	0	0	0	111.5	E32	T28-E32 PolarHBondContact OG1-OE2 2.93Å
29	T	95.1	Very high	94.7	Very high	51 Å²	51	80.2 Å²	80.2	31%	0.313	47%	0.474	S	S	.	.			trans	-105.4	156.2	171.9	64.7	0	0	0	0	111.1	Q31 E32 A33	T29-Q31 PolarHBondContact O-N 2.84Å; T29-E32 PolarHBondContact N-OE2 3.2Å; T29-E32 PolarHBondContact O-N 2.86Å; T29-E32 WeakPolarHBondContact OG1-CG 3.28Å; T29-E32 PolarHBondContact OG1-N 2.96Å; T29-A33 PolarHBondContact O-N 2.83Å; T29-A33 VanDerWaalsContact O-N 3.09Å
30	L	94.4	Very high	94.7	Very high	35 Å²	35	79.1 Å²	79.1	18%	0.183	47%	0.467	C	S	.	.	H	α-helix	trans	-59.8	-36.2	176.4	-176.9	62.2	0	0	0	111.5	E32 A33 V34 L252 L261 I262	L30-E32 PolarHBondContact O-N 3.11Å; L30-A33 PolarHBondContact O-N 3.07Å; L30-V34 HydrophobicContact CD1-CG1 3.94Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 2.95Å; L30-L252 HydrophobicContact CD2-CD2 4.3Å; L30-L261 HydrophobicContact CD2-CB 4.46Å; L30-I262 HydrophobicContact CB-CB 4.5Å; L30-I262 HydrophobicContact CD2-CB 4.02Å; L30-I262 HydrophobicContact CD2-CD1 4.18Å; L30-I262 HydrophobicContact CD2-CG2 3.69Å
31	Q	92.4	Very high	94.6	Very high	89 Å²	89	76.7 Å²	76.7	42%	0.416	47%	0.47	S	S	.	.	H	α-helix	trans	-61.6	-41.7	179.2	-64.8	89	-21.2	0	0	112.2	T29 A35 I262	T29-Q31 PolarHBondContact O-N 2.84Å; Q31-A35 PolarHBondContact O-N 3.27Å; Q31-I262 HydrophobicContact CG-CD1 4.12Å
32	E	94.4	Very high	94.5	Very high	124 Å²	124	83.7 Å²	83.7	58%	0.579	48%	0.484	S	S	*	.	H	α-helix	trans	-67.3	-47.8	175.3	-73.2	170.3	167.2	0	0	111.3	T28 T29 L30 V34 A35	T28-E32 PolarHBondContact OG1-OE2 2.93Å; T29-E32 PolarHBondContact N-OE2 3.2Å; T29-E32 PolarHBondContact O-N 2.86Å; T29-E32 WeakPolarHBondContact OG1-CG 3.28Å; T29-E32 PolarHBondContact OG1-N 2.96Å; L30-E32 PolarHBondContact O-N 3.11Å; E32-V34 PolarHBondContact O-N 3.12Å; E32-A35 VanDerWaalsContact O-CB 3.31Å; E32-A35 WeakPolarHBondContact O-CB 3.49Å; E32-A35 PolarHBondContact O-N 2.97Å; E32-A35 VanDerWaalsContact O-N 3.15Å
33	A	94.8	Very high	94.5	Very high	72 Å²	72	82.9 Å²	82.9	60%	0.595	48%	0.484	S	S	*	.	H	α-helix	trans	-59.3	-32.2	-179.2	0	0	0	0	0	112.9	T29 L30	T29-A33 PolarHBondContact O-N 2.83Å; T29-A33 VanDerWaalsContact O-N 3.09Å; L30-A33 PolarHBondContact O-N 3.07Å
34	V	94.9	Very high	94.4	Very high	17 Å²	17	83.2 Å²	83.2	10%	0.103	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	16.5	-178.8	-53.6	0	0	0	0	113.5	L30 E32 G36 T37 L300 K301	L30-V34 HydrophobicContact CD1-CG1 3.94Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 2.95Å; E32-V34 PolarHBondContact O-N 3.12Å; V34-G36 PolarHBondContact O-N 3.14Å; V34-G36 VanDerWaalsContact O-N 3.16Å; V34-T37 WeakPolarHBondContact O-CB 3.38Å; V34-T37 PolarHBondContact O-N 2.56Å; V34-T37 PolarHBondContact O-OG1 2.78Å; V34-L300 HydrophobicContact CB-CB 4.46Å; V34-L300 HydrophobicContact CG1-CD2 4.31Å; V34-L300 HydrophobicContact CG2-CB 4.12Å; V34-L300 WeakPolarHBondContact CG2-O 3.4Å; V34-K301 HydrophobicContact CG2-CD 4.4Å; V34-K301 PolarHBondContact O-NZ 2.62Å
35	A	91.9	Very high	94.4	Very high	71 Å²	71	80.3 Å²	80.3	59%	0.587	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-40.6	-177.8	0	0	0	0	0	112.6	Q31 E32 T37 K301	Q31-A35 PolarHBondContact O-N 3.27Å; E32-A35 VanDerWaalsContact O-CB 3.31Å; E32-A35 WeakPolarHBondContact O-CB 3.49Å; E32-A35 PolarHBondContact O-N 2.97Å; E32-A35 VanDerWaalsContact O-N 3.15Å; A35-T37 VanDerWaalsContact C-N 3.27Å; A35-T37 PolarHBondContact O-N 2.86Å; A35-K301 PolarHBondContact O-NZ 3.28Å
36	G	93.2	Very high	94.4	Very high	82 Å²	82	82.3 Å²	82.3	85%	0.845	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8	178.1	0	0	0	0	0	115.8	V34	V34-G36 PolarHBondContact O-N 3.14Å; V34-G36 VanDerWaalsContact O-N 3.16Å
37	T	94.1	Very high	94.6	Very high	52 Å²	52	79.9 Å²	79.9	32%	0.319	46%	0.461	S	S	.	.	S	Bend	trans	-81.1	136.5	179	-54.8	0	0	0	0	110.3	V34 A35 L300 K301	V34-T37 WeakPolarHBondContact O-CB 3.38Å; V34-T37 PolarHBondContact O-N 2.56Å; V34-T37 PolarHBondContact O-OG1 2.78Å; A35-T37 VanDerWaalsContact C-N 3.27Å; A35-T37 PolarHBondContact O-N 2.86Å; T37-L300 HydrophobicContact CG2-CD1 4.08Å; T37-K301 WeakPolarHBondContact O-CE 3.09Å; T37-K301 PolarHBondContact O-NZ 3.16Å
38	T	94.4	Very high	94.7	Very high	115 Å²	115	78.7 Å²	78.7	71%	0.706	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-73.8	139.9	175.3	55.8	0	0	0	0	111.1	R283	T38-R283 PolarHBondContact O-NH2 2.82Å
39	L	94.2	Very high	94.8	Very high	78 Å²	78	79.8 Å²	79.8	41%	0.408	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-57.9	141	170.2	-178.4	68.8	0	0	0	110.7	G41 D298 K301 E303 V305	L39-G41 PolarHBondContact O-N 2.82Å; L39-D298 HydrophobicContact CD1-CB 4.14Å; L39-K301 HydrophobicContact CD1-CB 3.79Å; L39-K301 HydrophobicContact CD1-CG 3.94Å; L39-E303 HydrophobicContact CD1-CB 3.74Å; L39-E303 HydrophobicContact CD1-CG 4.29Å; L39-E303 WeakPolarHBondContact CD1-OE2 3.29Å; L39-E303 WeakPolarHBondContact CD2-OE2 3.43Å; L39-V305 HydrophobicContact CD1-CG1 4Å; L39-V305 HydrophobicContact CG-CG1 4.38Å
40	V	94.5	Very high	94.9	Very high	38 Å²	38	79.1 Å²	79.1	23%	0.23	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-63.7	132.2	170.4	-175.5	0	0	0	0	109.3	V43 R283 L284 D298 V305	V40-V43 HydrophobicContact CG1-CG2 4.01Å; V40-R283 HydrophobicContact CG2-CG 3.7Å; V40-L284 HydrophobicContact CG1-CD2 4.3Å; V40-L284 HydrophobicContact CG2-CD2 4.31Å; V40-D298 WeakPolarHBondContact CG2-OD2 3.16Å; V40-D298 PolarHBondContact N-OD2 3.17Å; V40-V305 HydrophobicContact CB-CG1 4.34Å; V40-V305 WeakPolarHBondContact O-CG1 3.35Å
41	G	93.9	Very high	95.1	Very high	56 Å²	56	77.5 Å²	77.5	58%	0.577	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-58.3	163.4	173.6	0	0	0	0	0	112.3	L39 V43	L39-G41 PolarHBondContact O-N 2.82Å; G41-V43 PolarHBondContact O-N 3.08Å
42	R	95.3	Very high	95.3	Very high	205 Å²	205	81.3 Å²	81.3	77%	0.774	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-53.5	118.3	-177.8	-173.6	177.8	178	-179.3	4	111.5	Q44 V305	R42-Q44 HydrophobicContact CG-CG 4.16Å; R42-V305 CarbonylContact C-O 3.56Å; R42-V305 WeakPolarHBondContact CA-O 3.32Å
43	V	95.8	Very high	95.3	Very high	22 Å²	22	76.4 Å²	76.4	13%	0.133	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-86.8	118.4	179.4	-177.7	0	0	0	0	108.9	V40 G41 L45 L284 I296 V305 G306	V40-V43 HydrophobicContact CG1-CG2 4.01Å; G41-V43 PolarHBondContact O-N 3.08Å; V43-L45 HydrophobicContact CG1-CD2 4.01Å; V43-L45 HydrophobicContact CG1-CG 4.02Å; V43-L284 HydrophobicContact CG2-CD1 4.19Å; V43-L284 HydrophobicContact CG2-CD2 4.27Å; V43-I296 HydrophobicContact CB-CD1 4.3Å; V43-I296 HydrophobicContact CG1-CD1 3.82Å; V43-V305 HydrophobicContact CB-CG2 4.43Å; V43-V305 HydrophobicContact CG2-CB 4.34Å; V43-V305 HydrophobicContact CG2-CG2 3.81Å; V43-V305 PolarHBondContact N-O 3.34Å; V43-G306 WeakPolarHBondContact O-CA 3.38Å
44	Q	94.5	Very high	95.5	Very high	125 Å²	125	73.5 Å²	73.5	58%	0.584	40%	0.4	S	S	*	.			trans	-123.2	84.1	178.9	-65.1	-175.2	-2.1	0	0	110.1	R42	R42-Q44 HydrophobicContact CG-CG 4.16Å
45	L	95.6	Very high	95.5	Very high	50 Å²	50	79.3 Å²	79.3	26%	0.262	43%	0.43	S	S	.	.			trans	-77.7	147.7	172.4	-49.5	179.5	0	0	0	109.8	V43 I296 L308 W339	V43-L45 HydrophobicContact CG1-CD2 4.01Å; V43-L45 HydrophobicContact CG1-CG 4.02Å; L45-I296 HydrophobicContact CD1-CD1 4.14Å; L45-I296 HydrophobicContact CG-CD1 4.36Å; L45-L308 HydrophobicContact CB-CD2 3.7Å; L45-L308 HydrophobicContact CD1-CD1 4.33Å; L45-L308 HydrophobicContact CD1-CD2 4.12Å; L45-L308 HydrophobicContact CG-CD2 4.12Å; L45-W339 HydrophobicContact CB-CB 4.01Å; L45-W339 HydrophobicContact CD1-CB 4.25Å
46	K	96.4	Very high	95.8	Very high	129 Å²	129	77.3 Å²	77.3	56%	0.561	41%	0.413	S	S	*	.			trans	-113.5	144.5	176	-64.8	-178.4	-179.6	179.5	0	109.5	R48 W339 N340	K46-R48 PolarHBondContact O-N 2.55Å; K46-R48 VanDerWaalsContact O-N 3.15Å; K46-W339 WeakPolarHBondContact O-CA 3.41Å; K46-N340 PolarHBondContact N-O 2.99Å; K46-N340 PolarHBondContact O-N 3.41Å
47	T	97.4	Very high	96	Very high	53 Å²	53	77 Å²	77	33%	0.325	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	118.8	168.9	-48.8	0	0	0	0	108.9	K49 K337 W339	T47-K49 WeakPolarHBondContact CG2-O 3.34Å; T47-K337 HydrophobicContact CG2-CB 4.05Å; T47-K337 HydrophobicContact CG2-CD 4.17Å; T47-K337 HydrophobicContact CG2-CG 4.17Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.49Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.33Å
48	R	97	Very high	96.2	Very high	126 Å²	126	74.5 Å²	74.5	48%	0.475	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-38	174.4	-60	-52	175.3	-169.4	-5.3	112.3	K46 I338 N340	K46-R48 PolarHBondContact O-N 2.55Å; K46-R48 VanDerWaalsContact O-N 3.15Å; R48-I338 PolarHBondContact N-O 2.77Å; R48-N340 WeakPolarHBondContact CD-OD1 3.37Å; R48-N340 WeakPolarHBondContact CG-OD1 3.42Å; R48-N340 PolarHBondContact NE-O 2.84Å; R48-N340 PolarHBondContact NE-OD1 3.38Å; R48-N340 PolarHBondContact NH2-O 2.86Å
49	K	96.9	Very high	96.4	Very high	86 Å²	86	71.8 Å²	71.8	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.5	-176.6	-55	-67.7	-172.2	170.9	0	110.1	T47 L85 T87 K337 I338	T47-K49 WeakPolarHBondContact CG2-O 3.34Å; K49-L85 WeakPolarHBondContact CE-O 3.3Å; K49-L85 PolarHBondContact NZ-O 3.16Å; K49-T87 HydrophobicContact CB-CG2 3.91Å; K49-T87 HydrophobicContact CD-CG2 3.7Å; K49-T87 HydrophobicContact CG-CG2 4.05Å; K49-K337 WeakPolarHBondContact O-CA 3.43Å; K49-I338 HydrophobicContact CB-CB 4.04Å; K49-I338 HydrophobicContact CB-CG1 4.05Å; K49-I338 PolarHBondContact N-O 2.97Å; K49-I338 PolarHBondContact O-N 2.96Å
50	T	97.5	Very high	96.6	Very high	37 Å²	37	68.7 Å²	68.7	23%	0.227	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.7	170.2	-55.4	0	0	0	0	107.6	R52 F335 L336 K337	T50-R52 HydrophobicContact CG2-CG 4.14Å; T50-F335 HydrophobicContact CG2-CB 4.22Å; T50-F335 HydrophobicContact CG2-CD1 4.08Å; T50-F335 HydrophobicContact CG2-CG 4.32Å; T50-L336 CarbonylContact C-O 3.54Å; T50-L336 WeakPolarHBondContact CA-O 3.21Å; T50-K337 HydrophobicContact CG2-CG 4.43Å
51	L	97.5	Very high	96.7	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	119.3	178	-49.5	-179.2	0	0	0	108.1	W82 T87 L336 I338	L51-W82 HydrophobicContact CB-CD2 4.12Å; L51-W82 HydrophobicContact CB-CE3 3.88Å; L51-W82 HydrophobicContact CB-CH2 4.27Å; L51-W82 HydrophobicContact CB-CZ2 4.5Å; L51-W82 HydrophobicContact CB-CZ3 3.95Å; L51-W82 HydrophobicContact CD1-CB 3.94Å; L51-W82 HydrophobicContact CD1-CD2 4.01Å; L51-W82 HydrophobicContact CD1-CE3 4.37Å; L51-W82 HydrophobicContact CD1-CG 3.82Å; L51-W82 HydrophobicContact CD2-CE3 4.38Å; L51-W82 HydrophobicContact CG-CE3 4.44Å; L51-T87 HydrophobicContact CD2-CG2 3.83Å; L51-L336 HydrophobicContact CB-CB 4.06Å; L51-L336 HydrophobicContact CB-CD1 4.43Å; L51-L336 HydrophobicContact CD1-CB 4.03Å; L51-L336 HydrophobicContact CG-CB 4.25Å; L51-L336 PolarHBondContact N-O 3.22Å; L51-L336 PolarHBondContact O-N 3.35Å; L51-I338 HydrophobicContact CD1-CD1 4.44Å
52	R	96.9	Very high	96.9	Very high	168 Å²	168	67.1 Å²	67.1	63%	0.634	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.8	-176.4	-58.8	-171.2	177.7	108.8	-3.1	110.4	T50 W82 K89 F335	T50-R52 HydrophobicContact CG2-CG 4.14Å; R52-W82 WeakPolarHBondContact O-CH2 3.4Å; R52-K89 WeakPolarHBondContact O-CE 3.27Å; R52-K89 PolarHBondContact O-NZ 3.23Å; R52-F335 HydrophobicContact CB-CE1 4.45Å; R52-F335 HydrophobicContact CG-CD1 3.91Å; R52-F335 HydrophobicContact CG-CE1 3.85Å
53	G	95.2	Very high	97	Very high	21 Å²	21	58.1 Å²	58.1	22%	0.216	28%	0.277	C	S	.	.			trans	166.2	-18.5	174.6	0	0	0	0	0	117.1
54	H	97.8	Very high	97	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.056	27%	0.273	C	S	.	.			trans	-73.9	149.1	167.3	-72.8	-61.4	0	0	0	110.5	I58 S72 S74 D76 I80	H54-I58 HydrophobicContact CB-CG1 4.23Å; H54-S72 PolarHBondContact NE2-OG 2.97Å; H54-S74 VanDerWaalsContact CE1-CB 3.46Å; H54-S74 WeakPolarHBondContact CE1-CB 3.48Å; H54-S74 WeakPolarHBondContact ND1-CB 3.48Å; H54-S74 PolarHBondContact ND1-OG 3.35Å; H54-D76 WeakPolarHBondContact CA-OD2 3.02Å; H54-D76 IonicContact ND1-OD1 2.78Å; H54-D76 PolarHBondContact ND1-OD1 3.23Å; H54-D76 IonicContact ND1-OD2 2.89Å; H54-D76 PolarHBondContact ND1-OD2 2.85Å; H54-I80 VanDerWaalsContact CE1-CD1 3.45Å; H54-I80 WeakPolarHBondContact CE1-CD1 3.41Å
55	L	96.3	Very high	96.8	Very high	139 Å²	139	55.2 Å²	55.2	73%	0.728	27%	0.269	S	S	*	.	S	Bend	trans	-109.1	-1.3	179.5	-58	178.4	0	0	0	112.5	D76	L55-D76 HydrophobicContact CB-CB 4.19Å; L55-D76 PolarHBondContact N-OD2 3.13Å
56	A	97.5	Very high	96.4	Very high	29 Å²	29	56.4 Å²	56.4	24%	0.24	28%	0.276	C	S	.	.	S	Bend	trans	-147.6	-178.8	-179.6	0	0	0	0	0	110.4	I58 S74 Q75 D76 S334	A56-I58 PolarHBondContact O-N 3.15Å; A56-S74 PolarHBondContact O-OG 3.15Å; A56-Q75 HydrophobicContact CB-CB 4.28Å; A56-D76 HydrophobicContact CB-CB 3.89Å; A56-S334 WeakPolarHBondContact O-CA 3.38Å; A56-S334 VanDerWaalsContact O-CB 3.24Å; A56-S334 WeakPolarHBondContact O-CB 3.31Å; A56-S334 PolarHBondContact O-OG 2.99Å
57	K	98	Very high	95.9	Very high	75 Å²	75	52.3 Å²	52.3	33%	0.326	26%	0.262	S	S	.	.			trans	-53.6	127.2	-178.2	-59.2	175.1	177.5	-174.8	0	111.4	Y59 S74 Q75 W332	K57-Y59 HydrophobicContact CB-CD2 4.33Å; K57-Y59 HydrophobicContact CB-CE2 4.03Å; K57-Y59 HydrophobicContact CD-CE2 4.47Å; K57-S74 VanDerWaalsContact O-CA 3.28Å; K57-S74 WeakPolarHBondContact O-CA 3.49Å; K57-S74 PolarHBondContact O-OG 3.03Å; K57-Q75 PolarHBondContact O-N 3.3Å; K57-W332 HydrophobicContact CB-CB 4.22Å; K57-W332 HydrophobicContact CB-CD2 4.48Å; K57-W332 HydrophobicContact CB-CG 3.93Å; K57-W332 HydrophobicContact CD-CB 4.33Å; K57-W332 HydrophobicContact CD-CD2 3.65Å; K57-W332 HydrophobicContact CD-CE3 3.91Å; K57-W332 HydrophobicContact CD-CG 3.89Å; K57-W332 HydrophobicContact CD-CZ3 4.47Å; K57-W332 HydrophobicContact CG-CB 3.91Å; K57-W332 HydrophobicContact CG-CD2 4.17Å; K57-W332 HydrophobicContact CG-CG 3.85Å
58	I	98.4	Very high	95.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.1	167.9	-63.6	156.1	0	0	0	107.6	H54 A56 S316 S331 W332 F335 L336	H54-I58 HydrophobicContact CB-CG1 4.23Å; A56-I58 PolarHBondContact O-N 3.15Å; I58-S316 WeakPolarHBondContact O-CB 3.39Å; I58-S316 PolarHBondContact O-OG 3.49Å; I58-S331 WeakPolarHBondContact CB-O 3.22Å; I58-S331 PolarHBondContact N-O 3.44Å; I58-W332 VanDerWaalsContact O-CD1 3.26Å; I58-F335 VanDerWaalsContact CD1-C 3.49Å; I58-F335 WeakPolarHBondContact CD1-O 3.39Å; I58-L336 HydrophobicContact CD1-CD1 3.45Å; I58-L336 VanDerWaalsContact CD1-CD1 3.45Å; I58-L336 HydrophobicContact CD1-CG 3.84Å; I58-L336 HydrophobicContact CG1-CD1 4.42Å
59	Y	98	Very high	95.6	Very high	58 Å²	58	49 Å²	49	23%	0.227	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-48.1	177.7	-94.9	-108.1	0	0	0	111.1	K57 A73 Q75 M101 S316 C317 W332	K57-Y59 HydrophobicContact CB-CD2 4.33Å; K57-Y59 HydrophobicContact CB-CE2 4.03Å; K57-Y59 HydrophobicContact CD-CE2 4.47Å; Y59-A73 PolarHBondContact N-O 3.48Å; Y59-Q75 HydrophobicContact CD2-CG 3.78Å; Y59-Q75 HydrophobicContact CE2-CG 3.66Å; Y59-Q75 PolarHBondContact OH-NE2 3.32Å; Y59-M101 HydrophobicContact CD1-CG 4.48Å; Y59-S316 PolarHBondContact O-OG 3.04Å; Y59-C317 WeakPolarHBondContact O-CB 3.3Å; Y59-W332 HydrophobicContact CE2-CZ2 4.31Å; Y59-W332 AromaticContact CE2-NE1 3.71Å; Y59-W332 AromaticContact CZ-CZ2 3.86Å; Y59-W332 AromaticContact CZ-NE1 3.98Å; Y59-W332 WeakPolarHBondContact OH-CZ2 3.46Å
60	A	97.9	Very high	95.6	Very high	13 Å²	13	45 Å²	45	11%	0.107	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.2	-176.6	0	0	0	0	0	111.6	S72 A73 M101 C103	A60-S72 WeakPolarHBondContact O-CA 3.39Å; A60-A73 HydrophobicContact CB-CB 4.47Å; A60-A73 PolarHBondContact O-N 3.48Å; A60-M101 WeakPolarHBondContact CB-O 3.32Å; A60-C103 VanDerWaalsContact C-SG 3.54Å
61	M	97.9	Very high	95.6	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.2	167.2	74.1	81	50.9	0	0	108.9	W63 C70 V71 C317 C328 L336	M61-W63 HydrophobicContact CE-CG 4.37Å; M61-C70 HydrophobicContact CE-CB 3.96Å; M61-V71 CarbonylContact C-O 3.56Å; M61-V71 WeakPolarHBondContact CA-O 3.23Å; M61-C317 HydrophobicContact CG-CB 4.02Å; M61-C317 WeakPolarHBondContact CG-SG 3.44Å; M61-C328 HydrophobicContact CE-CB 3.46Å; M61-C328 VanDerWaalsContact CE-CB 3.46Å; M61-C328 VanDerWaalsContact CE-SG 3.54Å; M61-C328 HydrophobicContact SD-CB 4.22Å; M61-L336 HydrophobicContact CB-CD2 3.89Å; M61-L336 HydrophobicContact CG-CD2 4.37Å
62	H	98.1	Very high	95.7	Very high	52 Å²	52	43.1 Å²	43.1	24%	0.241	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	131.7	173.8	-168.3	-162.9	0	0	0	109.7	C70 V71 Y105	H62-C70 CarbonylContact O-C 3.58Å; H62-C70 WeakPolarHBondContact O-CA 3.47Å; H62-V71 HydrophobicContact CB-CG1 4.06Å; H62-V71 PolarHBondContact N-O 3.42Å; H62-V71 PolarHBondContact O-N 3.28Å; H62-Y105 PolarHBondContact ND1-N 3.07Å
63	W	97.2	Very high	95.7	Very high	17 Å²	17	35.1 Å²	35.1	6%	0.064	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.1	172.3	-75.4	103	0	0	0	111.1	M61 T67 C70 T84 G319 C328 I338	M61-W63 HydrophobicContact CE-CG 4.37Å; W63-T67 WeakPolarHBondContact CZ3-O 3.24Å; W63-C70 HydrophobicContact CD2-CB 4.14Å; W63-C70 HydrophobicContact CE3-CB 3.9Å; W63-C70 HydrophobicContact CZ3-CB 4.39Å; W63-T84 HydrophobicContact CE3-CG2 4.29Å; W63-T84 HydrophobicContact CH2-CG2 3.53Å; W63-T84 HydrophobicContact CZ3-CG2 3.38Å; W63-T84 WeakPolarHBondContact CZ3-OG1 3.4Å; W63-G319 VanDerWaalsContact CD1-C 3.48Å; W63-G319 VanDerWaalsContact NE1-C 3.29Å; W63-G319 PolarHBondContact NE1-O 2.77Å; W63-C328 HydrophobicContact CZ2-CB 3.53Å; W63-I338 HydrophobicContact CH2-CD1 3.95Å; W63-I338 HydrophobicContact CZ2-CD1 3.95Å
64	G	94.4	Very high	95.9	Very high	4 Å²	4	34.1 Å²	34.1	4%	0.041	18%	0.178	C	C	.	.			trans	-73.7	162.6	161.5	0	0	0	0	0	110.9	D66 L69	G64-D66 PolarHBondContact O-N 2.75Å; G64-L69 PolarHBondContact N-O 3.06Å
65	T	90.7	Very high	95.8	Very high	82 Å²	82	35.2 Å²	35.2	50%	0.503	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.2	177	46.8	0	0	0	0	113.2	T67 P107 S322	T65-T67 PolarHBondContact O-N 3.4Å; T65-P107 HydrophobicContact CG2-CB 4.18Å; T65-P107 PolarHBondContact OG1-O 2.94Å; T65-S322 PolarHBondContact O-OG 2.98Å
66	D	87.8	Confident	95.7	Very high	74 Å²	74	30.4 Å²	30.4	40%	0.396	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	7	-177.2	71.7	-10	0	0	0	114.5	G64 K68 L69	G64-D66 PolarHBondContact O-N 2.75Å; D66-K68 PolarHBondContact O-N 2.94Å; D66-K68 PolarHBondContact OD1-N 2.63Å; D66-L69 PolarHBondContact OD1-N 3.35Å; D66-L69 WeakPolarHBondContact OD2-CD1 3.29Å; D66-L69 VanDerWaalsContact OD2-CG 3.23Å; D66-L69 WeakPolarHBondContact OD2-CG 3.36Å
67	T	86.5	Confident	95.6	Very high	44 Å²	44	29.4 Å²	29.4	27%	0.27	15%	0.151	S	C	.	.	S	Bend	trans	56.3	-0.6	-178.9	70.5	0	0	0	0	115.8	W63 T65 S322 D323	W63-T67 WeakPolarHBondContact CZ3-O 3.24Å; T65-T67 PolarHBondContact O-N 3.4Å; T67-S322 WeakPolarHBondContact CG2-OG 3.33Å; T67-D323 WeakPolarHBondContact CB-OD2 3.11Å; T67-D323 HydrophobicContact CG2-CB 3.74Å; T67-D323 WeakPolarHBondContact CG2-OD2 3.29Å; T67-D323 PolarHBondContact OG1-OD2 3.4Å
68	K	91.9	Very high	95.6	Very high	82 Å²	82	29.5 Å²	29.5	36%	0.357	15%	0.151	S	C	.	.	S	Bend	trans	-109.1	-45	-173.4	177.7	-179.4	175.7	-175.7	0	110.9	D66 D83 T84 L85	D66-K68 PolarHBondContact O-N 2.94Å; D66-K68 PolarHBondContact OD1-N 2.63Å; K68-D83 WeakPolarHBondContact CE-OD1 3.43Å; K68-D83 WeakPolarHBondContact CE-OD2 3.34Å; K68-D83 IonicContact NZ-OD2 3.4Å; K68-D83 PolarHBondContact NZ-OD2 2.81Å; K68-D83 VanDerWaalsContact NZ-OD2 3.1Å; K68-T84 WeakPolarHBondContact O-CB 3.43Å; K68-T84 WeakPolarHBondContact O-CG2 3.17Å; K68-T84 PolarHBondContact O-N 3.23Å; K68-T84 PolarHBondContact O-OG1 3.34Å; K68-L85 HydrophobicContact CD-CD1 4.16Å; K68-L85 HydrophobicContact CG-CD1 3.97Å; K68-L85 HydrophobicContact CG-CG 4.21Å
69	L	95.6	Very high	95.5	Very high	28 Å²	28	29.5 Å²	29.5	15%	0.147	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.1	-176.1	-61.3	179.8	0	0	0	110.6	G64 D66 W82 D83 V90 Y105	G64-L69 PolarHBondContact N-O 3.06Å; D66-L69 PolarHBondContact OD1-N 3.35Å; D66-L69 WeakPolarHBondContact OD2-CD1 3.29Å; D66-L69 VanDerWaalsContact OD2-CG 3.23Å; D66-L69 WeakPolarHBondContact OD2-CG 3.36Å; L69-W82 VanDerWaalsContact CA-O 3.27Å; L69-W82 WeakPolarHBondContact CA-O 3.5Å; L69-W82 WeakPolarHBondContact CD2-O 3.33Å; L69-D83 HydrophobicContact CD2-CB 4.25Å; L69-V90 HydrophobicContact CD2-CG2 3.85Å; L69-Y105 HydrophobicContact CB-CE2 4.21Å
70	C	96.5	Very high	95.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.3	166.3	74.6	0	0	0	0	109.8	M61 H62 W63 V81 W82 T84	M61-C70 HydrophobicContact CE-CB 3.96Å; H62-C70 CarbonylContact O-C 3.58Å; H62-C70 WeakPolarHBondContact O-CA 3.47Å; W63-C70 HydrophobicContact CD2-CB 4.14Å; W63-C70 HydrophobicContact CE3-CB 3.9Å; W63-C70 HydrophobicContact CZ3-CB 4.39Å; C70-V81 CarbonylContact O-C 3.52Å; C70-V81 WeakPolarHBondContact O-CA 3.37Å; C70-W82 PolarHBondContact N-O 3.05Å; C70-W82 VanDerWaalsContact N-O 3.11Å; C70-W82 PolarHBondContact O-N 2.89Å; C70-T84 HydrophobicContact CB-CG2 4.1Å; C70-T84 VanDerWaalsContact SG-CG2 3.51Å
71	V	98	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143.4	172.3	65.3	0	0	0	0	109.4	M61 H62 L79 I80 V81 C103 Y105 V112	M61-V71 CarbonylContact C-O 3.56Å; M61-V71 WeakPolarHBondContact CA-O 3.23Å; H62-V71 HydrophobicContact CB-CG1 4.06Å; H62-V71 PolarHBondContact N-O 3.42Å; H62-V71 PolarHBondContact O-N 3.28Å; V71-L79 HydrophobicContact CG2-CD1 3.59Å; V71-L79 HydrophobicContact CG2-CD2 4.01Å; V71-L79 HydrophobicContact CG2-CG 3.54Å; V71-I80 CarbonylContact C-O 3.47Å; V71-I80 WeakPolarHBondContact CA-O 3.1Å; V71-V81 HydrophobicContact CB-CG2 4.41Å; V71-V81 HydrophobicContact CG2-CG2 4.19Å; V71-C103 HydrophobicContact CG1-CB 4.31Å; V71-Y105 HydrophobicContact CB-CD2 3.92Å; V71-Y105 HydrophobicContact CG1-CD2 3.92Å; V71-Y105 HydrophobicContact CG1-CG 4.47Å; V71-V112 HydrophobicContact CB-CG1 4.25Å; V71-V112 HydrophobicContact CG1-CG1 4.45Å; V71-V112 HydrophobicContact CG2-CB 4.47Å; V71-V112 HydrophobicContact CG2-CG1 4.19Å
72	S	98.4	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.5	171.4	64.4	0	0	0	0	111.7	H54 A60 L79 I80 W82	H54-S72 PolarHBondContact NE2-OG 2.97Å; A60-S72 WeakPolarHBondContact O-CA 3.39Å; S72-L79 WeakPolarHBondContact O-CA 3.33Å; S72-I80 PolarHBondContact N-O 2.81Å; S72-I80 PolarHBondContact O-N 2.75Å; S72-W82 PolarHBondContact OG-NE1 2.6Å
73	A	98.1	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.1	-179.8	0	0	0	0	0	110.8	Y59 A60 L79 V100 C103	Y59-A73 PolarHBondContact N-O 3.48Å; A60-A73 HydrophobicContact CB-CB 4.47Å; A60-A73 PolarHBondContact O-N 3.48Å; A73-L79 HydrophobicContact CB-CD1 3.74Å; A73-V100 HydrophobicContact CB-CB 4.36Å; A73-V100 HydrophobicContact CB-CG1 3.75Å; A73-V100 HydrophobicContact CB-CG2 3.65Å; A73-C103 HydrophobicContact CB-CB 3.86Å
74	S	98	Very high	95.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.4	-175	149.6	0	0	0	0	112.2	H54 A56 K57 D76 G77 K78 V100	H54-S74 VanDerWaalsContact CE1-CB 3.46Å; H54-S74 WeakPolarHBondContact CE1-CB 3.48Å; H54-S74 WeakPolarHBondContact ND1-CB 3.48Å; H54-S74 PolarHBondContact ND1-OG 3.35Å; A56-S74 PolarHBondContact O-OG 3.15Å; K57-S74 VanDerWaalsContact O-CA 3.28Å; K57-S74 WeakPolarHBondContact O-CA 3.49Å; K57-S74 PolarHBondContact O-OG 3.03Å; S74-D76 WeakPolarHBondContact CB-OD1 3.24Å; S74-D76 PolarHBondContact O-N 2.81Å; S74-D76 VanDerWaalsContact O-N 3.09Å; S74-D76 PolarHBondContact OG-N 2.91Å; S74-D76 PolarHBondContact OG-OD1 3.27Å; S74-G77 PolarHBondContact O-N 2.94Å; S74-G77 VanDerWaalsContact O-N 3.13Å; S74-K78 PolarHBondContact N-O 3.15Å; S74-V100 VanDerWaalsContact C-CG1 3.5Å; S74-V100 WeakPolarHBondContact O-CG1 3.36Å
75	Q	96.4	Very high	95	Very high	35 Å²	35	28.9 Å²	28.9	16%	0.164	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-1.7	179.5	-73.9	-173.5	-21.8	0	0	115	A56 K57 Y59 G77 S98 W99	A56-Q75 HydrophobicContact CB-CB 4.28Å; K57-Q75 PolarHBondContact O-N 3.3Å; Y59-Q75 HydrophobicContact CD2-CG 3.78Å; Y59-Q75 HydrophobicContact CE2-CG 3.66Å; Y59-Q75 PolarHBondContact OH-NE2 3.32Å; Q75-G77 PolarHBondContact O-N 2.92Å; Q75-S98 CarbonylContact C-O 3.56Å; Q75-S98 VanDerWaalsContact CA-O 3.24Å; Q75-S98 WeakPolarHBondContact CA-O 3.43Å; Q75-W99 VanDerWaalsContact NE2-CE3 3.33Å
76	D	95.1	Very high	95.2	Very high	37 Å²	37	28 Å²	28	20%	0.198	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	5.7	167.3	67.4	-11.1	0	0	0	112.8	H54 L55 A56 S74 K78	H54-D76 WeakPolarHBondContact CA-OD2 3.02Å; H54-D76 IonicContact ND1-OD1 2.78Å; H54-D76 PolarHBondContact ND1-OD1 3.23Å; H54-D76 IonicContact ND1-OD2 2.89Å; H54-D76 PolarHBondContact ND1-OD2 2.85Å; L55-D76 HydrophobicContact CB-CB 4.19Å; L55-D76 PolarHBondContact N-OD2 3.13Å; A56-D76 HydrophobicContact CB-CB 3.89Å; S74-D76 WeakPolarHBondContact CB-OD1 3.24Å; S74-D76 PolarHBondContact O-N 2.81Å; S74-D76 VanDerWaalsContact O-N 3.09Å; S74-D76 PolarHBondContact OG-N 2.91Å; S74-D76 PolarHBondContact OG-OD1 3.27Å; D76-K78 VanDerWaalsContact C-N 3.34Å; D76-K78 WeakPolarHBondContact OD1-CB 3.34Å; D76-K78 PolarHBondContact OD1-N 3.15Å
77	G	95.2	Very high	95.6	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	30.4	-179	0	0	0	0	0	112.5	S74 Q75 L95	S74-G77 PolarHBondContact O-N 2.94Å; S74-G77 VanDerWaalsContact O-N 3.13Å; Q75-G77 PolarHBondContact O-N 2.92Å; G77-L95 WeakPolarHBondContact O-CB 3.49Å; G77-L95 PolarHBondContact O-N 2.88Å
78	K	96.5	Very high	96	Very high	76 Å²	76	29.8 Å²	29.8	33%	0.33	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.1	178.1	-62	-178.5	-175.2	169.6	0	111.9	S74 D76 I80 I93	S74-K78 PolarHBondContact N-O 3.15Å; D76-K78 VanDerWaalsContact C-N 3.34Å; D76-K78 WeakPolarHBondContact OD1-CB 3.34Å; D76-K78 PolarHBondContact OD1-N 3.15Å; K78-I80 HydrophobicContact CB-CG1 4.25Å; K78-I93 WeakPolarHBondContact CA-O 3.31Å
79	L	96.8	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.9	163.4	-168.1	77.1	0	0	0	107.8	V71 S72 A73 I93 L95 C103 V112 C114 Y124	V71-L79 HydrophobicContact CG2-CD1 3.59Å; V71-L79 HydrophobicContact CG2-CD2 4.01Å; V71-L79 HydrophobicContact CG2-CG 3.54Å; S72-L79 WeakPolarHBondContact O-CA 3.33Å; A73-L79 HydrophobicContact CB-CD1 3.74Å; L79-I93 HydrophobicContact CB-CB 4.2Å; L79-I93 HydrophobicContact CD2-CD1 4.05Å; L79-I93 PolarHBondContact N-O 2.8Å; L79-I93 PolarHBondContact O-N 3.02Å; L79-L95 HydrophobicContact CB-CD1 4.42Å; L79-L95 HydrophobicContact CB-CD2 3.95Å; L79-L95 HydrophobicContact CB-CG 4.34Å; L79-C103 HydrophobicContact CD1-CB 3.59Å; L79-V112 HydrophobicContact CD2-CB 4.1Å; L79-V112 HydrophobicContact CD2-CG2 3.59Å; L79-C114 HydrophobicContact CD1-CB 4.1Å; L79-C114 HydrophobicContact CD2-CB 4.36Å; L79-Y124 HydrophobicContact CD2-CD2 4.41Å
80	I	97.4	Very high	96.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.2	-177.3	-56.8	178.5	0	0	0	109.3	H54 V71 S72 K78 W82 K89 S91 A92	H54-I80 VanDerWaalsContact CE1-CD1 3.45Å; H54-I80 WeakPolarHBondContact CE1-CD1 3.41Å; V71-I80 CarbonylContact C-O 3.47Å; V71-I80 WeakPolarHBondContact CA-O 3.1Å; S72-I80 PolarHBondContact N-O 2.81Å; S72-I80 PolarHBondContact O-N 2.75Å; K78-I80 HydrophobicContact CB-CG1 4.25Å; I80-W82 HydrophobicContact CB-CZ2 3.83Å; I80-W82 HydrophobicContact CD1-CH2 4.18Å; I80-W82 HydrophobicContact CD1-CZ2 3.74Å; I80-W82 HydrophobicContact CG1-CZ2 4.38Å; I80-W82 HydrophobicContact CG2-CD2 3.7Å; I80-W82 HydrophobicContact CG2-CE3 4.24Å; I80-W82 HydrophobicContact CG2-CG 4.18Å; I80-W82 HydrophobicContact CG2-CH2 4.1Å; I80-W82 HydrophobicContact CG2-CZ2 3.52Å; I80-W82 HydrophobicContact CG2-CZ3 4.42Å; I80-W82 PolarHBondContact O-NE1 3.3Å; I80-K89 HydrophobicContact CG2-CB 4.21Å; I80-K89 HydrophobicContact CG2-CD 4.41Å; I80-K89 HydrophobicContact CG2-CG 3.9Å; I80-S91 WeakPolarHBondContact CA-O 3.21Å; I80-A92 HydrophobicContact CG1-CB 4.44Å
81	V	96.9	Very high	95.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.7	169.1	-178	0	0	0	0	108.3	C70 V71 V90 S91 Y105 V112 L126	C70-V81 CarbonylContact O-C 3.52Å; C70-V81 WeakPolarHBondContact O-CA 3.37Å; V71-V81 HydrophobicContact CB-CG2 4.41Å; V71-V81 HydrophobicContact CG2-CG2 4.19Å; V81-V90 HydrophobicContact CB-CB 4.45Å; V81-V90 HydrophobicContact CG1-CB 4.21Å; V81-V90 PolarHBondContact O-N 3.17Å; V81-S91 PolarHBondContact N-O 2.88Å; V81-S91 PolarHBondContact O-N 2.83Å; V81-Y105 HydrophobicContact CG1-CE2 4.02Å; V81-V112 HydrophobicContact CG2-CG1 4.36Å; V81-L126 HydrophobicContact CG2-CD1 4.25Å; V81-L126 HydrophobicContact CG2-CD2 4.09Å
82	W	97.5	Very high	95.7	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.5	-174.9	-52.3	85.7	0	0	0	110.9	L51 R52 L69 C70 S72 I80 N88 K89 L336	L51-W82 HydrophobicContact CB-CD2 4.12Å; L51-W82 HydrophobicContact CB-CE3 3.88Å; L51-W82 HydrophobicContact CB-CH2 4.27Å; L51-W82 HydrophobicContact CB-CZ2 4.5Å; L51-W82 HydrophobicContact CB-CZ3 3.95Å; L51-W82 HydrophobicContact CD1-CB 3.94Å; L51-W82 HydrophobicContact CD1-CD2 4.01Å; L51-W82 HydrophobicContact CD1-CE3 4.37Å; L51-W82 HydrophobicContact CD1-CG 3.82Å; L51-W82 HydrophobicContact CD2-CE3 4.38Å; L51-W82 HydrophobicContact CG-CE3 4.44Å; R52-W82 WeakPolarHBondContact O-CH2 3.4Å; L69-W82 VanDerWaalsContact CA-O 3.27Å; L69-W82 WeakPolarHBondContact CA-O 3.5Å; L69-W82 WeakPolarHBondContact CD2-O 3.33Å; C70-W82 PolarHBondContact N-O 3.05Å; C70-W82 VanDerWaalsContact N-O 3.11Å; C70-W82 PolarHBondContact O-N 2.89Å; S72-W82 PolarHBondContact OG-NE1 2.6Å; I80-W82 HydrophobicContact CB-CZ2 3.83Å; I80-W82 HydrophobicContact CD1-CH2 4.18Å; I80-W82 HydrophobicContact CD1-CZ2 3.74Å; I80-W82 HydrophobicContact CG1-CZ2 4.38Å; I80-W82 HydrophobicContact CG2-CD2 3.7Å; I80-W82 HydrophobicContact CG2-CE3 4.24Å; I80-W82 HydrophobicContact CG2-CG 4.18Å; I80-W82 HydrophobicContact CG2-CH2 4.1Å; I80-W82 HydrophobicContact CG2-CZ2 3.52Å; I80-W82 HydrophobicContact CG2-CZ3 4.42Å; I80-W82 PolarHBondContact O-NE1 3.3Å; W82-N88 WeakPolarHBondContact CA-O 3.18Å; W82-K89 HydrophobicContact CE3-CG 3.76Å; W82-K89 HydrophobicContact CH2-CD 4.36Å; W82-K89 HydrophobicContact CH2-CG 4.09Å; W82-K89 HydrophobicContact CZ3-CD 4.14Å; W82-K89 VanDerWaalsContact CZ3-CE 3.5Å; W82-K89 HydrophobicContact CZ3-CG 3.51Å; W82-L336 HydrophobicContact CZ2-CD1 4.32Å
83	D	96.3	Very high	95.5	Very high	14 Å²	14	38 Å²	38	8%	0.075	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	109.5	157	177.5	-13.1	0	0	0	108.1	K68 L69 L85 T86 T87 N88 V90	K68-D83 WeakPolarHBondContact CE-OD1 3.43Å; K68-D83 WeakPolarHBondContact CE-OD2 3.34Å; K68-D83 IonicContact NZ-OD2 3.4Å; K68-D83 PolarHBondContact NZ-OD2 2.81Å; K68-D83 VanDerWaalsContact NZ-OD2 3.1Å; L69-D83 HydrophobicContact CD2-CB 4.25Å; D83-L85 VanDerWaalsContact C-N 3.26Å; D83-L85 PolarHBondContact O-N 3.38Å; D83-L85 WeakPolarHBondContact OD1-CB 3.38Å; D83-L85 PolarHBondContact OD1-N 3.48Å; D83-T86 WeakPolarHBondContact CB-OG1 3.24Å; D83-T86 PolarHBondContact OD1-N 2.94Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.28Å; D83-T86 PolarHBondContact OD2-OG1 2.89Å; D83-T87 WeakPolarHBondContact O-CA 3.23Å; D83-T87 PolarHBondContact O-N 3.08Å; D83-N88 PolarHBondContact N-O 2.7Å; D83-V90 HydrophobicContact CB-CG2 4.06Å
84	T	93.8	Very high	95.3	Very high	8 Å²	8	43 Å²	43	5%	0.049	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.4	-174.4	62.1	0	0	0	0	113.5	W63 K68 C70 I338	W63-T84 HydrophobicContact CE3-CG2 4.29Å; W63-T84 HydrophobicContact CH2-CG2 3.53Å; W63-T84 HydrophobicContact CZ3-CG2 3.38Å; W63-T84 WeakPolarHBondContact CZ3-OG1 3.4Å; K68-T84 WeakPolarHBondContact O-CB 3.43Å; K68-T84 WeakPolarHBondContact O-CG2 3.17Å; K68-T84 PolarHBondContact O-N 3.23Å; K68-T84 PolarHBondContact O-OG1 3.34Å; C70-T84 HydrophobicContact CB-CG2 4.1Å; C70-T84 VanDerWaalsContact SG-CG2 3.51Å; T84-I338 HydrophobicContact CG2-CD1 4.05Å
85	L	92.4	Very high	95.1	Very high	113 Å²	113	44.2 Å²	44.2	59%	0.592	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-46.6	177.9	-59.4	177.5	0	0	0	110.9	K49 K68 D83	K49-L85 WeakPolarHBondContact CE-O 3.3Å; K49-L85 PolarHBondContact NZ-O 3.16Å; K68-L85 HydrophobicContact CD-CD1 4.16Å; K68-L85 HydrophobicContact CG-CD1 3.97Å; K68-L85 HydrophobicContact CG-CG 4.21Å; D83-L85 VanDerWaalsContact C-N 3.26Å; D83-L85 PolarHBondContact O-N 3.38Å; D83-L85 WeakPolarHBondContact OD1-CB 3.38Å; D83-L85 PolarHBondContact OD1-N 3.48Å
86	T	94.8	Very high	94.7	Very high	64 Å²	64	50 Å²	50	39%	0.393	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-13.4	-176	65.4	0	0	0	0	113.7	D83 N88	D83-T86 WeakPolarHBondContact CB-OG1 3.24Å; D83-T86 PolarHBondContact OD1-N 2.94Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.28Å; D83-T86 PolarHBondContact OD2-OG1 2.89Å; T86-N88 PolarHBondContact O-N 3.48Å; T86-N88 WeakPolarHBondContact OG1-CB 3.15Å; T86-N88 PolarHBondContact OG1-N 2.86Å; T86-N88 PolarHBondContact OG1-ND2 3.34Å
87	T	95.3	Very high	94.5	Very high	54 Å²	54	49.6 Å²	49.6	33%	0.331	28%	0.276	S	S	.	.			trans	64.6	10.1	-171.6	70	0	0	0	0	115	K49 L51 D83	K49-T87 HydrophobicContact CB-CG2 3.91Å; K49-T87 HydrophobicContact CD-CG2 3.7Å; K49-T87 HydrophobicContact CG-CG2 4.05Å; L51-T87 HydrophobicContact CD2-CG2 3.83Å; D83-T87 WeakPolarHBondContact O-CA 3.23Å; D83-T87 PolarHBondContact O-N 3.08Å
88	N	95.8	Very high	94.4	Very high	101 Å²	101	51.6 Å²	51.6	54%	0.54	29%	0.289	S	S	.	.			trans	-76	147.5	179.3	-70.1	-26.8	0	0	0	111.3	W82 D83 T86	W82-N88 WeakPolarHBondContact CA-O 3.18Å; D83-N88 PolarHBondContact N-O 2.7Å; T86-N88 PolarHBondContact O-N 3.48Å; T86-N88 WeakPolarHBondContact OG1-CB 3.15Å; T86-N88 PolarHBondContact OG1-N 2.86Å; T86-N88 PolarHBondContact OG1-ND2 3.34Å
89	K	95.3	Very high	94.2	Very high	107 Å²	107	54.3 Å²	54.3	47%	0.465	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	113.3	169.9	-61.6	168.9	-171.8	158.1	0	107.5	R52 I80 W82	R52-K89 WeakPolarHBondContact O-CE 3.27Å; R52-K89 PolarHBondContact O-NZ 3.23Å; I80-K89 HydrophobicContact CG2-CB 4.21Å; I80-K89 HydrophobicContact CG2-CD 4.41Å; I80-K89 HydrophobicContact CG2-CG 3.9Å; W82-K89 HydrophobicContact CE3-CG 3.76Å; W82-K89 HydrophobicContact CH2-CD 4.36Å; W82-K89 HydrophobicContact CH2-CG 4.09Å; W82-K89 HydrophobicContact CZ3-CD 4.14Å; W82-K89 VanDerWaalsContact CZ3-CE 3.5Å; W82-K89 HydrophobicContact CZ3-CG 3.51Å
90	V	93.4	Very high	94.2	Very high	82 Å²	82	54.4 Å²	54.4	50%	0.497	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-46.9	175.9	179.1	0	0	0	0	109.6	L69 V81 D83	L69-V90 HydrophobicContact CD2-CG2 3.85Å; V81-V90 HydrophobicContact CB-CB 4.45Å; V81-V90 HydrophobicContact CG1-CB 4.21Å; V81-V90 PolarHBondContact O-N 3.17Å; D83-V90 HydrophobicContact CB-CG2 4.06Å
91	S	92.4	Very high	94.2	Very high	24 Å²	24	56.3 Å²	56.3	17%	0.168	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.6	178.7	-60.1	0	0	0	0	110.1	I80 V81	I80-S91 WeakPolarHBondContact CA-O 3.21Å; V81-S91 PolarHBondContact N-O 2.88Å; V81-S91 PolarHBondContact O-N 2.83Å
92	A	93.8	Very high	94.2	Very high	63 Å²	63	56.5 Å²	56.5	52%	0.521	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	108.4	170.5	0	0	0	0	0	108.3	I80	I80-A92 HydrophobicContact CG1-CB 4.44Å
93	I	94.6	Very high	94.2	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.3	-171.5	-56.5	159.1	0	0	0	107.6	K78 L79 V112 Y124 L126 V133	K78-I93 WeakPolarHBondContact CA-O 3.31Å; L79-I93 HydrophobicContact CB-CB 4.2Å; L79-I93 HydrophobicContact CD2-CD1 4.05Å; L79-I93 PolarHBondContact N-O 2.8Å; L79-I93 PolarHBondContact O-N 3.02Å; I93-V112 HydrophobicContact CD1-CG2 3.85Å; I93-Y124 HydrophobicContact CD1-CG 4.46Å; I93-Y124 HydrophobicContact CG2-CD1 3.54Å; I93-Y124 HydrophobicContact CG2-CE1 3.4Å; I93-Y124 HydrophobicContact CG2-CG 4.2Å; I93-L126 HydrophobicContact CD1-CD2 4.04Å; I93-V133 HydrophobicContact CD1-CB 4.45Å; I93-V133 HydrophobicContact CD1-CG1 3.63Å; I93-V133 HydrophobicContact CG1-CB 4.06Å; I93-V133 HydrophobicContact CG1-CG1 3.69Å; I93-V133 HydrophobicContact CG1-CG2 4.36Å
94	P	94.3	Very high	94.3	Very high	106 Å²	106	55.9 Å²	55.9	69%	0.688	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.8	171.6	30.1	-32.1	0	0	0	109.6
95	L	93.8	Very high	94.4	Very high	24 Å²	24	56 Å²	56	13%	0.126	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-90	150.7	177.6	-57.7	-178.1	0	0	0	110.2	G77 L79 S97 V100 C114 Y124	G77-L95 WeakPolarHBondContact O-CB 3.49Å; G77-L95 PolarHBondContact O-N 2.88Å; L79-L95 HydrophobicContact CB-CD1 4.42Å; L79-L95 HydrophobicContact CB-CD2 3.95Å; L79-L95 HydrophobicContact CB-CG 4.34Å; L95-S97 VanDerWaalsContact CB-O 3.3Å; L95-S97 WeakPolarHBondContact CB-O 3.39Å; L95-V100 HydrophobicContact CD1-CB 3.92Å; L95-V100 HydrophobicContact CD1-CG1 4.19Å; L95-V100 HydrophobicContact CD1-CG2 4.08Å; L95-C114 WeakPolarHBondContact CD2-SG 3.44Å; L95-Y124 HydrophobicContact CD2-CE2 4.08Å; L95-Y124 VanDerWaalsContact CD2-OH 3.29Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.05Å
96	K	88.1	Confident	94.6	Very high	158 Å²	158	50.7 Å²	50.7	69%	0.687	28%	0.277	S	S	*	.	S	Bend	trans	-70	-41.6	173.3	-70	179.9	177.6	175.4	0	111.3	E138	K96-E138 VanDerWaalsContact CE-OE1 3.29Å; K96-E138 WeakPolarHBondContact CE-OE1 2.86Å; K96-E138 VanDerWaalsContact NZ-CD 3.33Å; K96-E138 IonicContact NZ-OE1 3.51Å; K96-E138 PolarHBondContact NZ-OE1 2.82Å; K96-E138 IonicContact NZ-OE2 2.77Å; K96-E138 PolarHBondContact NZ-OE2 2.84Å
97	S	90.9	Very high	94.5	Very high	27 Å²	27	49.9 Å²	49.9	19%	0.189	27%	0.273	C	S	.	.			trans	-101.2	133.8	174.6	-176.6	0	0	0	0	110.4	L95 W99 D118	L95-S97 VanDerWaalsContact CB-O 3.3Å; L95-S97 WeakPolarHBondContact CB-O 3.39Å; S97-W99 VanDerWaalsContact C-N 3.32Å; S97-W99 PolarHBondContact OG-N 3.36Å; S97-D118 VanDerWaalsContact CB-OD2 3.31Å; S97-D118 WeakPolarHBondContact CB-OD2 3.41Å
98	S	91.6	Very high	94.4	Very high	52 Å²	52	49.5 Å²	49.5	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-74.4	-25.7	173.9	55.4	0	0	0	0	112.3	Q75 V100	Q75-S98 CarbonylContact C-O 3.56Å; Q75-S98 VanDerWaalsContact CA-O 3.24Å; Q75-S98 WeakPolarHBondContact CA-O 3.43Å; S98-V100 VanDerWaalsContact C-N 3.31Å; S98-V100 PolarHBondContact O-N 3.47Å
99	W	93.5	Very high	94.2	Very high	132 Å²	132	45.7 Å²	45.7	50%	0.5	26%	0.257	S	S	.	.			trans	-88.6	67.3	-172.1	-66.2	96.1	0	0	0	111.9	Q75 S97 G116 L117	Q75-W99 VanDerWaalsContact NE2-CE3 3.33Å; S97-W99 VanDerWaalsContact C-N 3.32Å; S97-W99 PolarHBondContact OG-N 3.36Å; W99-G116 WeakPolarHBondContact O-CA 3.49Å; W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.69Å; W99-L117 HydrophobicContact CB-CG 3.83Å; W99-L117 HydrophobicContact CD2-CD1 3.86Å; W99-L117 HydrophobicContact CE3-CD1 3.92Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.46Å; W99-L117 PolarHBondContact O-N 3Å
100	V	96	Very high	93.9	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.9	175.4	67.3	0	0	0	0	110.9	A73 S74 L95 S98 T102 C114 G115	A73-V100 HydrophobicContact CB-CB 4.36Å; A73-V100 HydrophobicContact CB-CG1 3.75Å; A73-V100 HydrophobicContact CB-CG2 3.65Å; S74-V100 VanDerWaalsContact C-CG1 3.5Å; S74-V100 WeakPolarHBondContact O-CG1 3.36Å; L95-V100 HydrophobicContact CD1-CB 3.92Å; L95-V100 HydrophobicContact CD1-CG1 4.19Å; L95-V100 HydrophobicContact CD1-CG2 4.08Å; S98-V100 VanDerWaalsContact C-N 3.31Å; S98-V100 PolarHBondContact O-N 3.47Å; V100-T102 WeakPolarHBondContact CG2-O 3.31Å; V100-C114 HydrophobicContact CG2-CB 3.93Å; V100-G115 WeakPolarHBondContact CG2-O 3.45Å
101	M	96.9	Very high	94	Very high	43 Å²	43	39.1 Å²	39.1	21%	0.212	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-30.2	178.3	-65.5	179.9	67.5	0	0	111.9	Y59 A60 G115 L117 Y145 L146	Y59-M101 HydrophobicContact CD1-CG 4.48Å; A60-M101 WeakPolarHBondContact CB-O 3.32Å; M101-G115 PolarHBondContact N-O 3.19Å; M101-L117 HydrophobicContact SD-CD2 4.1Å; M101-L117 HydrophobicContact SD-CG 4.48Å; M101-Y145 HydrophobicContact CE-CD2 3.61Å; M101-Y145 HydrophobicContact CE-CE2 3.67Å; M101-Y145 HydrophobicContact SD-CD2 3.54Å; M101-Y145 VanDerWaalsContact SD-CD2 3.54Å; M101-Y145 HydrophobicContact SD-CE2 4.23Å; M101-Y145 HydrophobicContact SD-CG 4.06Å; M101-L146 WeakPolarHBondContact CB-O 3.46Å
102	T	97.7	Very high	94.2	Very high	5 Å²	5	38 Å²	38	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153	-178.3	-178.4	0	0	0	0	112.9	V100 C114 G115 L146 S147 C148 C149	V100-T102 WeakPolarHBondContact CG2-O 3.31Å; T102-C114 VanDerWaalsContact O-CA 3.24Å; T102-C114 WeakPolarHBondContact O-CA 3.29Å; T102-C114 WeakPolarHBondContact O-CB 3.46Å; T102-G115 PolarHBondContact N-O 2.88Å; T102-G115 PolarHBondContact O-N 3.36Å; T102-L146 HydrophobicContact CG2-CD2 3.76Å; T102-L146 HydrophobicContact CG2-CG 4.13Å; T102-S147 WeakPolarHBondContact CB-O 3.1Å; T102-C148 WeakPolarHBondContact OG1-CA 3.2Å; T102-C149 HydrophobicContact CG2-CB 4.35Å; T102-C149 PolarHBondContact OG1-N 2.89Å; T102-C149 VanDerWaalsContact OG1-N 3.12Å; T102-C149 PolarHBondContact OG1-SG 3.24Å; T102-C149 VanDerWaalsContact OG1-SG 3.41Å
103	C	97.7	Very high	94.4	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.9	159.9	60.8	0	0	0	0	111.6	A60 V71 A73 L79 A113 R150	A60-C103 VanDerWaalsContact C-SG 3.54Å; V71-C103 HydrophobicContact CG1-CB 4.31Å; A73-C103 HydrophobicContact CB-CB 3.86Å; L79-C103 HydrophobicContact CD1-CB 3.59Å; C103-A113 CarbonylContact C-O 3.59Å; C103-A113 WeakPolarHBondContact CA-O 3.36Å; C103-A113 WeakPolarHBondContact CB-O 3.37Å; C103-R150 PolarHBondContact O-NH1 2.55Å
104	A	97.9	Very high	94.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.1	173.7	0	0	0	0	0	111.4	V112 A113 C149 F151	A104-V112 CarbonylContact O-C 3.59Å; A104-V112 WeakPolarHBondContact O-CA 3.46Å; A104-A113 HydrophobicContact CB-CB 4.43Å; A104-A113 PolarHBondContact N-O 3.26Å; A104-A113 PolarHBondContact O-N 2.9Å; A104-C149 WeakPolarHBondContact CB-O 3.35Å; A104-F151 HydrophobicContact CB-CD2 3.77Å; A104-F151 HydrophobicContact CB-CE2 3.9Å
105	Y	96.7	Very high	94.6	Very high	11 Å²	11	30 Å²	30	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.2	168.6	-147.8	-60.7	0	0	0	108.6	H62 L69 V71 V81 G109 V112 L126	H62-Y105 PolarHBondContact ND1-N 3.07Å; L69-Y105 HydrophobicContact CB-CE2 4.21Å; V71-Y105 HydrophobicContact CB-CD2 3.92Å; V71-Y105 HydrophobicContact CG1-CD2 3.92Å; V71-Y105 HydrophobicContact CG1-CG 4.47Å; V81-Y105 HydrophobicContact CG1-CE2 4.02Å; Y105-G109 PolarHBondContact OH-O 2.78Å; Y105-V112 HydrophobicContact CD2-CG1 3.93Å; Y105-V112 HydrophobicContact CE2-CG1 4.07Å; Y105-V112 HydrophobicContact CG-CG1 4.18Å; Y105-L126 HydrophobicContact CE1-CD1 4.31Å; Y105-L126 HydrophobicContact CE2-CD1 4.31Å; Y105-L126 VanDerWaalsContact OH-CD1 3.26Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.4Å
106	A	96.3	Very high	94.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	15%	0.153	C	C	.	.			trans	-72.3	141.6	176.6	0	0	0	0	0	111.7	S108 G109 M111 F151	A106-S108 PolarHBondContact O-N 3.27Å; A106-G109 PolarHBondContact O-N 2.97Å; A106-M111 HydrophobicContact CB-CB 3.82Å; A106-M111 HydrophobicContact CB-CG 4.45Å; A106-M111 WeakPolarHBondContact CB-O 3.34Å; A106-M111 PolarHBondContact N-O 2.91Å; A106-F151 HydrophobicContact CB-CB 4.35Å; A106-F151 HydrophobicContact CB-CD1 4.08Å; A106-F151 HydrophobicContact CB-CD2 3.87Å; A106-F151 HydrophobicContact CB-CE1 4.28Å; A106-F151 HydrophobicContact CB-CE2 4.09Å; A106-F151 HydrophobicContact CB-CG 3.86Å; A106-F151 HydrophobicContact CB-CZ 4.28Å
107	P	93.2	Very high	95.1	Very high	47 Å²	47	25.5 Å²	25.5	31%	0.305	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.8	-178.4	-28.1	33.9	0	0	0	115	T65 G109	T65-P107 HydrophobicContact CG2-CB 4.18Å; T65-P107 PolarHBondContact OG1-O 2.94Å; P107-G109 VanDerWaalsContact C-N 3.29Å; P107-G109 PolarHBondContact O-N 2.95Å
108	S	92.6	Very high	95.3	Very high	47 Å²	47	26.7 Å²	26.7	33%	0.329	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.5	178.8	66.2	0	0	0	0	115	A106 N110 D154	A106-S108 PolarHBondContact O-N 3.27Å; S108-N110 VanDerWaalsContact C-N 3.3Å; S108-N110 WeakPolarHBondContact CB-ND2 3.25Å; S108-N110 WeakPolarHBondContact OG-CB 3.26Å; S108-N110 PolarHBondContact OG-N 3.29Å; S108-N110 PolarHBondContact OG-ND2 3.43Å; S108-D154 VanDerWaalsContact CB-CG 3.5Å; S108-D154 WeakPolarHBondContact CB-OD1 3.49Å; S108-D154 WeakPolarHBondContact CB-OD2 3.37Å; S108-D154 PolarHBondContact OG-OD1 3.34Å; S108-D154 PolarHBondContact OG-OD2 3.01Å
109	G	90.8	Very high	95.4	Very high	20 Å²	20	26.6 Å²	26.6	21%	0.206	14%	0.142	C	C	.	.	S	Bend	trans	87.3	-8.4	-170.1	0	0	0	0	0	114.5	Y105 A106 P107	Y105-G109 PolarHBondContact OH-O 2.78Å; A106-G109 PolarHBondContact O-N 2.97Å; P107-G109 VanDerWaalsContact C-N 3.29Å; P107-G109 PolarHBondContact O-N 2.95Å
110	N	90.9	Very high	95.5	Very high	43 Å²	43	22.8 Å²	22.8	23%	0.23	13%	0.131	C	C	.	.	S	Bend	trans	-92.2	-25.9	-164.7	-61.2	-32.2	0	0	0	114.5	S108 N125 L126 K127 D154	S108-N110 VanDerWaalsContact C-N 3.3Å; S108-N110 WeakPolarHBondContact CB-ND2 3.25Å; S108-N110 WeakPolarHBondContact OG-CB 3.26Å; S108-N110 PolarHBondContact OG-N 3.29Å; S108-N110 PolarHBondContact OG-ND2 3.43Å; N110-N125 PolarHBondContact O-OD1 3.3Å; N110-L126 WeakPolarHBondContact O-CB 3.39Å; N110-L126 PolarHBondContact O-N 3.45Å; N110-K127 VanDerWaalsContact OD1-CD 3.29Å; N110-K127 WeakPolarHBondContact OD1-CD 3.42Å; N110-K127 VanDerWaalsContact OD1-CE 3.24Å; N110-K127 WeakPolarHBondContact OD1-CE 3.41Å; N110-K127 PolarHBondContact OD1-NZ 2.85Å; N110-D154 PolarHBondContact ND2-OD2 2.76Å; N110-D154 VanDerWaalsContact ND2-OD2 3.09Å
111	M	94.6	Very high	95.5	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.039	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.5	-169.4	-45.3	177.2	95.3	0	0	111.4	A106 I123 Y124 M136 F151 D154 I171	A106-M111 HydrophobicContact CB-CB 3.82Å; A106-M111 HydrophobicContact CB-CG 4.45Å; A106-M111 WeakPolarHBondContact CB-O 3.34Å; A106-M111 PolarHBondContact N-O 2.91Å; M111-I123 HydrophobicContact CB-CG2 4.43Å; M111-I123 HydrophobicContact CE-CG2 3.62Å; M111-I123 HydrophobicContact SD-CG2 4.48Å; M111-Y124 VanDerWaalsContact CA-O 3.26Å; M111-Y124 WeakPolarHBondContact CA-O 3.15Å; M111-M136 HydrophobicContact CE-CE 3.6Å; M111-M136 HydrophobicContact CE-CG 4.3Å; M111-M136 HydrophobicContact CE-SD 3.21Å; M111-M136 WeakPolarHBondContact CE-SD 3.38Å; M111-F151 HydrophobicContact CB-CE1 4.41Å; M111-F151 HydrophobicContact CB-CZ 4.17Å; M111-D154 HydrophobicContact SD-CB 4.16Å; M111-I171 HydrophobicContact CE-CG2 4.19Å
112	V	96.9	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.5	167.5	-67.2	0	0	0	0	109.4	V71 L79 V81 I93 A104 Y105 Y124 L126	V71-V112 HydrophobicContact CB-CG1 4.25Å; V71-V112 HydrophobicContact CG1-CG1 4.45Å; V71-V112 HydrophobicContact CG2-CB 4.47Å; V71-V112 HydrophobicContact CG2-CG1 4.19Å; L79-V112 HydrophobicContact CD2-CB 4.1Å; L79-V112 HydrophobicContact CD2-CG2 3.59Å; V81-V112 HydrophobicContact CG2-CG1 4.36Å; I93-V112 HydrophobicContact CD1-CG2 3.85Å; A104-V112 CarbonylContact O-C 3.59Å; A104-V112 WeakPolarHBondContact O-CA 3.46Å; Y105-V112 HydrophobicContact CD2-CG1 3.93Å; Y105-V112 HydrophobicContact CE2-CG1 4.07Å; Y105-V112 HydrophobicContact CG-CG1 4.18Å; V112-Y124 HydrophobicContact CG2-CD2 4.49Å; V112-Y124 PolarHBondContact N-O 3.12Å; V112-Y124 PolarHBondContact O-N 3.44Å; V112-L126 HydrophobicContact CG1-CD1 3.8Å; V112-L126 HydrophobicContact CG1-CD2 4.47Å; V112-L126 HydrophobicContact CG1-CG 4.29Å; V112-L126 HydrophobicContact CG2-CD2 3.9Å; V112-L126 HydrophobicContact CG2-CG 4.28Å
113	A	97.6	Very high	95.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.7	174.8	0	0	0	0	0	110.4	C103 A104 S122 I123 F151 I157	C103-A113 CarbonylContact C-O 3.59Å; C103-A113 WeakPolarHBondContact CA-O 3.36Å; C103-A113 WeakPolarHBondContact CB-O 3.37Å; A104-A113 HydrophobicContact CB-CB 4.43Å; A104-A113 PolarHBondContact N-O 3.26Å; A104-A113 PolarHBondContact O-N 2.9Å; A113-S122 CarbonylContact C-O 3.58Å; A113-S122 VanDerWaalsContact CA-O 3.26Å; A113-S122 WeakPolarHBondContact CA-O 3.13Å; A113-I123 HydrophobicContact CB-CG1 4.23Å; A113-F151 HydrophobicContact CB-CE2 3.55Å; A113-F151 HydrophobicContact CB-CZ 3.53Å; A113-I157 HydrophobicContact CB-CD1 3.58Å
114	C	97.4	Very high	95.3	Very high	5 Å²	5	21 Å²	21	3%	0.034	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.6	167.8	69.5	0	0	0	0	111.3	L79 L95 V100 T102 C121 S122	L79-C114 HydrophobicContact CD1-CB 4.1Å; L79-C114 HydrophobicContact CD2-CB 4.36Å; L95-C114 WeakPolarHBondContact CD2-SG 3.44Å; V100-C114 HydrophobicContact CG2-CB 3.93Å; T102-C114 VanDerWaalsContact O-CA 3.24Å; T102-C114 WeakPolarHBondContact O-CA 3.29Å; T102-C114 WeakPolarHBondContact O-CB 3.46Å; C114-C121 CarbonylContact O-C 3.59Å; C114-C121 WeakPolarHBondContact O-CA 3.35Å; C114-S122 PolarHBondContact N-O 2.79Å; C114-S122 PolarHBondContact O-N 3.31Å
115	G	96.6	Very high	95.1	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	173.1	169.9	0	0	0	0	0	111.4	V100 M101 T102 M120	V100-G115 WeakPolarHBondContact CG2-O 3.45Å; M101-G115 PolarHBondContact N-O 3.19Å; T102-G115 PolarHBondContact N-O 2.88Å; T102-G115 PolarHBondContact O-N 3.36Å; G115-M120 VanDerWaalsContact CA-O 3.25Å; G115-M120 WeakPolarHBondContact CA-O 3.34Å
116	G	95.9	Very high	94.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-126.1	176.1	0	0	0	0	0	112.1	W99 D118 N119 Y145 L146	W99-G116 WeakPolarHBondContact O-CA 3.49Å; G116-D118 PolarHBondContact N-OD1 2.82Å; G116-D118 VanDerWaalsContact N-OD1 3.13Å; G116-D118 PolarHBondContact O-N 3.47Å; G116-D118 VanDerWaalsContact O-N 3.11Å; G116-N119 PolarHBondContact O-N 2.75Å; G116-N119 VanDerWaalsContact O-N 3.13Å; G116-Y145 WeakPolarHBondContact O-CA 3.3Å; G116-L146 PolarHBondContact O-N 3.1Å
117	L	95.7	Very high	93.9	Very high	88 Å²	88	31 Å²	31	46%	0.461	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.3	-175.9	-64.4	-176.4	0	0	0	114.5	W99 M101 N119 Y145	W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.69Å; W99-L117 HydrophobicContact CB-CG 3.83Å; W99-L117 HydrophobicContact CD2-CD1 3.86Å; W99-L117 HydrophobicContact CE3-CD1 3.92Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.46Å; W99-L117 PolarHBondContact O-N 3Å; M101-L117 HydrophobicContact SD-CD2 4.1Å; M101-L117 HydrophobicContact SD-CG 4.48Å; L117-N119 PolarHBondContact O-OD1 3.4Å; L117-Y145 HydrophobicContact CD2-CD1 4.41Å; L117-Y145 HydrophobicContact CD2-CG 4.14Å
118	D	94.3	Very high	92.6	Very high	52 Å²	52	30 Å²	30	28%	0.278	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.7	171.8	55.9	-1.9	0	0	0	113	S97 G116 M120	S97-D118 VanDerWaalsContact CB-OD2 3.31Å; S97-D118 WeakPolarHBondContact CB-OD2 3.41Å; G116-D118 PolarHBondContact N-OD1 2.82Å; G116-D118 VanDerWaalsContact N-OD1 3.13Å; G116-D118 PolarHBondContact O-N 3.47Å; G116-D118 VanDerWaalsContact O-N 3.11Å; D118-M120 WeakPolarHBondContact O-CG 3.36Å; D118-M120 PolarHBondContact O-N 2.81Å; D118-M120 VanDerWaalsContact O-N 3.08Å; D118-M120 PolarHBondContact OD1-N 3.38Å
119	N	95.3	Very high	91.1	Very high	50 Å²	50	37.9 Å²	37.9	27%	0.267	20%	0.196	S	C	.	.			trans	60	14.7	-178.7	-53.2	-4	0	0	0	113.5	G116 L117 T143 G144 Y145	G116-N119 PolarHBondContact O-N 2.75Å; G116-N119 VanDerWaalsContact O-N 3.13Å; L117-N119 PolarHBondContact O-OD1 3.4Å; N119-T143 PolarHBondContact ND2-O 3.36Å; N119-G144 VanDerWaalsContact CB-O 3.22Å; N119-G144 WeakPolarHBondContact CB-O 3.47Å; N119-G144 PolarHBondContact OD1-O 3.44Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.45Å; N119-Y145 PolarHBondContact OD1-N 3.11Å
120	M	94.6	Very high	89.7	Confident	53 Å²	53	42.3 Å²	42.3	26%	0.261	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142	-176.7	-65.1	-179.2	88.8	0	0	110.4	G115 D118 E138 L139 A140	G115-M120 VanDerWaalsContact CA-O 3.25Å; G115-M120 WeakPolarHBondContact CA-O 3.34Å; D118-M120 WeakPolarHBondContact O-CG 3.36Å; D118-M120 PolarHBondContact O-N 2.81Å; D118-M120 VanDerWaalsContact O-N 3.08Å; D118-M120 PolarHBondContact OD1-N 3.38Å; M120-E138 HydrophobicContact CE-CB 3.61Å; M120-E138 HydrophobicContact CE-CG 4.46Å; M120-L139 WeakPolarHBondContact CA-O 3.17Å; M120-A140 HydrophobicContact CE-CB 3.74Å; M120-A140 HydrophobicContact CG-CB 4.04Å
121	C	96.8	Very high	88.6	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108.4	165.4	-166.5	0	0	0	0	109.4	C114 L139 L146 T159	C114-C121 CarbonylContact O-C 3.59Å; C114-C121 WeakPolarHBondContact O-CA 3.35Å; C121-L139 HydrophobicContact CB-CB 4.1Å; C121-L139 HydrophobicContact CB-CD1 4.28Å; C121-L139 PolarHBondContact N-O 2.87Å; C121-L139 PolarHBondContact O-N 3.03Å; C121-L146 HydrophobicContact CB-CD2 3.63Å; C121-T159 HydrophobicContact CB-CG2 4.02Å
122	S	96.7	Very high	87.7	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.3	177.4	-65.4	0	0	0	0	110.3	A113 C114	A113-S122 CarbonylContact C-O 3.58Å; A113-S122 VanDerWaalsContact CA-O 3.26Å; A113-S122 WeakPolarHBondContact CA-O 3.13Å; C114-S122 PolarHBondContact N-O 2.79Å; C114-S122 PolarHBondContact O-N 3.31Å
123	I	96.5	Very high	87.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	-180	-58.8	174	0	0	0	109.1	M111 A113 M136 R137 L139 F151 I157 I171	M111-I123 HydrophobicContact CB-CG2 4.43Å; M111-I123 HydrophobicContact CE-CG2 3.62Å; M111-I123 HydrophobicContact SD-CG2 4.48Å; A113-I123 HydrophobicContact CB-CG1 4.23Å; I123-M136 PolarHBondContact O-N 3.25Å; I123-R137 HydrophobicContact CB-CB 4.33Å; I123-R137 HydrophobicContact CD1-CB 4.46Å; I123-R137 PolarHBondContact N-O 3.37Å; I123-R137 PolarHBondContact O-N 3.38Å; I123-L139 HydrophobicContact CD1-CD1 3.73Å; I123-L139 HydrophobicContact CD1-CG 4.24Å; I123-F151 HydrophobicContact CG2-CE1 4.42Å; I123-F151 HydrophobicContact CG2-CZ 4.28Å; I123-I157 HydrophobicContact CD1-CG2 4.24Å; I123-I171 HydrophobicContact CD1-CB 4.22Å; I123-I171 HydrophobicContact CD1-CD1 3.97Å; I123-I171 HydrophobicContact CD1-CG1 3.68Å; I123-I171 HydrophobicContact CD1-CG2 3.69Å; I123-I171 HydrophobicContact CG2-CG2 4.5Å
124	Y	95.1	Very high	86.4	Confident	7 Å²	7	55.7 Å²	55.7	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137	-178.2	-59.1	-96.7	0	0	0	110.4	L79 I93 L95 M111 V112 V133 V135	L79-Y124 HydrophobicContact CD2-CD2 4.41Å; I93-Y124 HydrophobicContact CD1-CG 4.46Å; I93-Y124 HydrophobicContact CG2-CD1 3.54Å; I93-Y124 HydrophobicContact CG2-CE1 3.4Å; I93-Y124 HydrophobicContact CG2-CG 4.2Å; L95-Y124 HydrophobicContact CD2-CE2 4.08Å; L95-Y124 VanDerWaalsContact CD2-OH 3.29Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.05Å; M111-Y124 VanDerWaalsContact CA-O 3.26Å; M111-Y124 WeakPolarHBondContact CA-O 3.15Å; V112-Y124 HydrophobicContact CG2-CD2 4.49Å; V112-Y124 PolarHBondContact N-O 3.12Å; V112-Y124 PolarHBondContact O-N 3.44Å; Y124-V133 HydrophobicContact CD1-CG1 4.27Å; Y124-V133 HydrophobicContact CG-CG1 4.5Å; Y124-V135 HydrophobicContact CD1-CG2 3.93Å; Y124-V135 HydrophobicContact CE1-CB 4.37Å; Y124-V135 HydrophobicContact CE1-CG2 3.37Å
125	N	92.6	Very high	86	Confident	52 Å²	52	58.3 Å²	58.3	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.4	173	-175.1	-9.6	0	0	0	109.9	N110 K127 K134 M136	N110-N125 PolarHBondContact O-OD1 3.3Å; N125-K127 PolarHBondContact OD1-N 3.31Å; N125-K134 PolarHBondContact N-O 2.86Å; N125-M136 HydrophobicContact CB-CB 4.35Å; N125-M136 HydrophobicContact CB-SD 4.27Å
126	L	88.1	Confident	85.7	Confident	28 Å²	28	61.8 Å²	61.8	15%	0.147	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-25.5	-179.9	-62.9	-179.3	0	0	0	113	V81 I93 Y105 N110 V112 V133	V81-L126 HydrophobicContact CG2-CD1 4.25Å; V81-L126 HydrophobicContact CG2-CD2 4.09Å; I93-L126 HydrophobicContact CD1-CD2 4.04Å; Y105-L126 HydrophobicContact CE1-CD1 4.31Å; Y105-L126 HydrophobicContact CE2-CD1 4.31Å; Y105-L126 VanDerWaalsContact OH-CD1 3.26Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.4Å; N110-L126 WeakPolarHBondContact O-CB 3.39Å; N110-L126 PolarHBondContact O-N 3.45Å; V112-L126 HydrophobicContact CG1-CD1 3.8Å; V112-L126 HydrophobicContact CG1-CD2 4.47Å; V112-L126 HydrophobicContact CG1-CG 4.29Å; V112-L126 HydrophobicContact CG2-CD2 3.9Å; V112-L126 HydrophobicContact CG2-CG 4.28Å; L126-V133 HydrophobicContact CD2-CG1 4.21Å; L126-V133 HydrophobicContact CD2-CG2 4.12Å
127	K	80	Confident	85.6	Confident	141 Å²	141	66 Å²	66	61%	0.613	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	43.2	-178.4	-64.5	-172.8	-173.8	160.1	0	112.2	N110 N125	N110-K127 VanDerWaalsContact OD1-CD 3.29Å; N110-K127 WeakPolarHBondContact OD1-CD 3.42Å; N110-K127 VanDerWaalsContact OD1-CE 3.24Å; N110-K127 WeakPolarHBondContact OD1-CE 3.41Å; N110-K127 PolarHBondContact OD1-NZ 2.85Å; N125-K127 PolarHBondContact OD1-N 3.31Å
128	G	65.7	Low	85.6	Confident	25 Å²	25	64.9 Å²	64.9	26%	0.258	34%	0.338	S	S	.	.			trans	-58.8	142.2	174.5	0	0	0	0	0	111.9	D130 G131	G128-D130 PolarHBondContact O-N 2.88Å; G128-G131 PolarHBondContact O-N 2.79Å
129	K	61.4	Low	85.6	Confident	214 Å²	214	62.5 Å²	62.5	93%	0.93	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.2	-179.3	-70.9	-179.3	177.7	178.3	0	114.1
130	D	61.8	Low	85.5	Confident	113 Å²	113	63.2 Å²	63.2	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	3.6	-175.4	-48.2	-34.1	0	0	0	113.4	G128 N132 K134	G128-D130 PolarHBondContact O-N 2.88Å; D130-N132 PolarHBondContact O-N 3.35Å; D130-N132 VanDerWaalsContact O-N 3.08Å; D130-K134 IonicContact OD2-NZ 2.75Å; D130-K134 PolarHBondContact OD2-NZ 3.26Å
131	G	67.1	Low	85.2	Confident	65 Å²	65	62.4 Å²	62.4	67%	0.67	34%	0.34	S	S	*	.	S	Bend	trans	72.9	-10.8	-173.6	0	0	0	0	0	115.3	G128	G128-G131 PolarHBondContact O-N 2.79Å
132	N	75.7	Confident	85.1	Confident	110 Å²	110	63 Å²	63	59%	0.588	34%	0.343	S	S	*	.			trans	-87.2	129.7	173.5	-77.5	-18	0	0	0	111.4	D130 K134	D130-N132 PolarHBondContact O-N 3.35Å; D130-N132 VanDerWaalsContact O-N 3.08Å; N132-K134 PolarHBondContact O-N 2.88Å
133	V	83.4	Confident	85	Confident	41 Å²	41	68.5 Å²	68.5	25%	0.248	38%	0.376	C	S	.	.			trans	-72.1	118.4	171.5	-175.6	0	0	0	0	109	I93 Y124 L126	I93-V133 HydrophobicContact CD1-CB 4.45Å; I93-V133 HydrophobicContact CD1-CG1 3.63Å; I93-V133 HydrophobicContact CG1-CB 4.06Å; I93-V133 HydrophobicContact CG1-CG1 3.69Å; I93-V133 HydrophobicContact CG1-CG2 4.36Å; Y124-V133 HydrophobicContact CD1-CG1 4.27Å; Y124-V133 HydrophobicContact CG-CG1 4.5Å; L126-V133 HydrophobicContact CD2-CG1 4.21Å; L126-V133 HydrophobicContact CD2-CG2 4.12Å
134	K	84	Confident	85	Confident	116 Å²	116	69.1 Å²	69.1	50%	0.504	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.7	178.3	-69	174.6	-179.9	166.4	0	109.6	N125 D130 N132 M136	N125-K134 PolarHBondContact N-O 2.86Å; D130-K134 IonicContact OD2-NZ 2.75Å; D130-K134 PolarHBondContact OD2-NZ 3.26Å; N132-K134 PolarHBondContact O-N 2.88Å; K134-M136 PolarHBondContact O-N 3.3Å
135	V	89.6	Confident	85	Confident	59 Å²	59	71.2 Å²	71.2	36%	0.358	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	122.8	166.5	-178.6	0	0	0	0	107.3	Y124 E138	Y124-V135 HydrophobicContact CD1-CG2 3.93Å; Y124-V135 HydrophobicContact CE1-CB 4.37Å; Y124-V135 HydrophobicContact CE1-CG2 3.37Å; V135-E138 HydrophobicContact CG1-CG 3.66Å
136	M	90	Very high	85.3	Confident	76 Å²	76	68.8 Å²	68.8	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-42.1	176.2	173.9	160.9	160.5	0	0	111.2	M111 I123 N125 K134 I171	M111-M136 HydrophobicContact CE-CE 3.6Å; M111-M136 HydrophobicContact CE-CG 4.3Å; M111-M136 HydrophobicContact CE-SD 3.21Å; M111-M136 WeakPolarHBondContact CE-SD 3.38Å; I123-M136 PolarHBondContact O-N 3.25Å; N125-M136 HydrophobicContact CB-CB 4.35Å; N125-M136 HydrophobicContact CB-SD 4.27Å; K134-M136 PolarHBondContact O-N 3.3Å; M136-I171 HydrophobicContact CE-CG2 4.37Å
137	R	93.5	Very high	85.7	Confident	88 Å²	88	68 Å²	68	33%	0.332	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	147.4	-177.8	-161.3	68.5	60.6	-155.6	-2.6	110.3	I123 L139 I171 E172	I123-R137 HydrophobicContact CB-CB 4.33Å; I123-R137 HydrophobicContact CD1-CB 4.46Å; I123-R137 PolarHBondContact N-O 3.37Å; I123-R137 PolarHBondContact O-N 3.38Å; R137-L139 HydrophobicContact CG-CD2 3.72Å; R137-L139 HydrophobicContact CG-CG 4.41Å; R137-I171 PolarHBondContact NE-O 2.87Å; R137-E172 PolarHBondContact NH2-O 3.16Å
138	E	94.8	Very high	86.6	Confident	65 Å²	65	61.9 Å²	61.9	30%	0.304	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.4	167.1	-58.5	-176.2	157.2	0	0	106.9	K96 M120 V135	K96-E138 VanDerWaalsContact CE-OE1 3.29Å; K96-E138 WeakPolarHBondContact CE-OE1 2.86Å; K96-E138 VanDerWaalsContact NZ-CD 3.33Å; K96-E138 IonicContact NZ-OE1 3.51Å; K96-E138 PolarHBondContact NZ-OE1 2.82Å; K96-E138 IonicContact NZ-OE2 2.77Å; K96-E138 PolarHBondContact NZ-OE2 2.84Å; M120-E138 HydrophobicContact CE-CB 3.61Å; M120-E138 HydrophobicContact CE-CG 4.46Å; V135-E138 HydrophobicContact CG1-CG 3.66Å
139	L	95.1	Very high	88.1	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.9	-179.8	-54.4	174.4	0	0	0	107.6	M120 C121 I123 R137 I157 W169	M120-L139 WeakPolarHBondContact CA-O 3.17Å; C121-L139 HydrophobicContact CB-CB 4.1Å; C121-L139 HydrophobicContact CB-CD1 4.28Å; C121-L139 PolarHBondContact N-O 2.87Å; C121-L139 PolarHBondContact O-N 3.03Å; I123-L139 HydrophobicContact CD1-CD1 3.73Å; I123-L139 HydrophobicContact CD1-CG 4.24Å; R137-L139 HydrophobicContact CG-CD2 3.72Å; R137-L139 HydrophobicContact CG-CG 4.41Å; L139-I157 HydrophobicContact CD1-CG2 3.62Å; L139-W169 HydrophobicContact CB-CD2 4.03Å; L139-W169 HydrophobicContact CB-CE3 3.87Å; L139-W169 HydrophobicContact CB-CH2 3.98Å; L139-W169 HydrophobicContact CB-CZ2 4.23Å; L139-W169 HydrophobicContact CB-CZ3 3.83Å; L139-W169 HydrophobicContact CD1-CB 3.78Å; L139-W169 HydrophobicContact CD1-CD2 3.89Å; L139-W169 HydrophobicContact CD1-CE3 4.21Å; L139-W169 HydrophobicContact CD1-CG 3.71Å; L139-W169 HydrophobicContact CD2-CD2 4.39Å; L139-W169 HydrophobicContact CD2-CE3 3.87Å; L139-W169 HydrophobicContact CD2-CZ3 4.34Å; L139-W169 HydrophobicContact CG-CD2 4.33Å; L139-W169 HydrophobicContact CG-CE3 4.2Å
140	A	92.6	Very high	89.8	Confident	64 Å²	64	53.3 Å²	53.3	53%	0.529	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	108.3	-173.5	0	0	0	0	0	109.8	M120	M120-A140 HydrophobicContact CE-CB 3.74Å; M120-A140 HydrophobicContact CG-CB 4.04Å
141	A	89.1	Confident	91.5	Very high	37 Å²	37	48.3 Å²	48.3	31%	0.306	28%	0.276	S	S	.	.			trans	-155.8	-30.4	174.1	0	0	0	0	0	113	T143 W169 E176	A141-T143 PolarHBondContact O-N 2.94Å; A141-W169 HydrophobicContact CB-CH2 3.29Å; A141-W169 HydrophobicContact CB-CZ2 3.9Å; A141-W169 HydrophobicContact CB-CZ3 4.21Å; A141-E176 HydrophobicContact CB-CG 3.79Å; A141-E176 WeakPolarHBondContact CB-OE1 3.17Å
142	H	94.4	Very high	93	Very high	15 Å²	15	46.2 Å²	46.2	7%	0.069	25%	0.249	C	C	.	.			trans	-57.7	138.3	175.6	-76.1	-58.7	0	0	0	111.3	T159 S161 D163 T165 V167	H142-T159 PolarHBondContact NE2-OG1 2.88Å; H142-S161 WeakPolarHBondContact CE1-CB 3.35Å; H142-S161 VanDerWaalsContact CG-CB 3.46Å; H142-S161 WeakPolarHBondContact ND1-CB 3.5Å; H142-S161 PolarHBondContact ND1-OG 3Å; H142-D163 WeakPolarHBondContact CA-OD2 3.1Å; H142-D163 VanDerWaalsContact CB-OD2 3.29Å; H142-D163 WeakPolarHBondContact CB-OD2 3.49Å; H142-D163 IonicContact CG-OD2 3.2Å; H142-D163 IonicContact ND1-OD1 3.43Å; H142-D163 PolarHBondContact ND1-OD1 3.32Å; H142-D163 IonicContact ND1-OD2 2.65Å; H142-D163 PolarHBondContact ND1-OD2 3Å; H142-T165 PolarHBondContact CE1-OG1 2.55Å; H142-V167 VanDerWaalsContact CE1-CG2 3.45Å; H142-V167 WeakPolarHBondContact CE1-CG2 3.41Å
143	T	95.1	Very high	93.9	Very high	121 Å²	121	42.7 Å²	42.7	74%	0.742	23%	0.233	S	C	*	.	S	Bend	trans	-94.9	-8.9	175.9	59.2	0	0	0	0	112	N119 A141 D163	N119-T143 PolarHBondContact ND2-O 3.36Å; A141-T143 PolarHBondContact O-N 2.94Å; T143-D163 PolarHBondContact N-OD2 3.06Å; T143-D163 VanDerWaalsContact OG1-CB 3.31Å; T143-D163 WeakPolarHBondContact OG1-CB 3.43Å
144	G	95.5	Very high	94.4	Very high	13 Å²	13	43.6 Å²	43.6	13%	0.134	24%	0.237	C	C	.	.	S	Bend	trans	-118.5	177.2	173.9	0	0	0	0	0	112.7	N119 S161	N119-G144 VanDerWaalsContact CB-O 3.22Å; N119-G144 WeakPolarHBondContact CB-O 3.47Å; N119-G144 PolarHBondContact OD1-O 3.44Å; G144-S161 PolarHBondContact O-OG 2.75Å
145	Y	96.5	Very high	94.9	Very high	51 Å²	51	40.4 Å²	40.4	20%	0.2	23%	0.229	C	C	.	.			trans	-66.9	147.3	-179.1	59.8	-94.6	0	0	0	111.6	M101 G116 L117 N119 S147 S161 G162 D186 M188	M101-Y145 HydrophobicContact CE-CD2 3.61Å; M101-Y145 HydrophobicContact CE-CE2 3.67Å; M101-Y145 HydrophobicContact SD-CD2 3.54Å; M101-Y145 VanDerWaalsContact SD-CD2 3.54Å; M101-Y145 HydrophobicContact SD-CE2 4.23Å; M101-Y145 HydrophobicContact SD-CG 4.06Å; G116-Y145 WeakPolarHBondContact O-CA 3.3Å; L117-Y145 HydrophobicContact CD2-CD1 4.41Å; L117-Y145 HydrophobicContact CD2-CG 4.14Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.45Å; N119-Y145 PolarHBondContact OD1-N 3.11Å; Y145-S147 PolarHBondContact O-N 2.92Å; Y145-S161 CarbonylContact O-C 3.58Å; Y145-S161 VanDerWaalsContact O-CA 3.23Å; Y145-S161 WeakPolarHBondContact O-CA 3.36Å; Y145-S161 PolarHBondContact O-OG 3.34Å; Y145-G162 PolarHBondContact O-N 3.2Å; Y145-D186 WeakPolarHBondContact CE1-OD2 3.43Å; Y145-D186 VanDerWaalsContact OH-CB 3.3Å; Y145-D186 WeakPolarHBondContact OH-CB 3.3Å; Y145-D186 PolarHBondContact OH-OD2 3.07Å; Y145-M188 HydrophobicContact CE2-SD 4.5Å
146	L	97.6	Very high	95.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.9	175.5	-155.5	75.2	0	0	0	110.2	M101 T102 G116 C121 T159	M101-L146 WeakPolarHBondContact CB-O 3.46Å; T102-L146 HydrophobicContact CG2-CD2 3.76Å; T102-L146 HydrophobicContact CG2-CG 4.13Å; G116-L146 PolarHBondContact O-N 3.1Å; C121-L146 HydrophobicContact CB-CD2 3.63Å; L146-T159 HydrophobicContact CD1-CG2 3.92Å; L146-T159 HydrophobicContact CD2-CG2 4.36Å
147	S	97.1	Very high	95.7	Very high	12 Å²	12	36.4 Å²	36.4	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-40.9	-176	61.3	0	0	0	0	113.2	T102 Y145 S160 C187 M188	T102-S147 WeakPolarHBondContact CB-O 3.1Å; Y145-S147 PolarHBondContact O-N 2.92Å; S147-S160 PolarHBondContact N-O 3.11Å; S147-S160 WeakPolarHBondContact OG-CB 3.2Å; S147-S160 PolarHBondContact OG-O 2.96Å; S147-S160 VanDerWaalsContact OG-O 3.09Å; S147-S160 PolarHBondContact OG-OG 3.17Å; S147-C187 WeakPolarHBondContact CB-O 3.49Å; S147-C187 PolarHBondContact OG-O 2.9Å; S147-M188 WeakPolarHBondContact CB-O 3.41Å
148	C	97.9	Very high	95.9	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.5	178.3	-165.3	0	0	0	0	111.1	T102 T159 S160 L190	T102-C148 WeakPolarHBondContact OG1-CA 3.2Å; C148-T159 WeakPolarHBondContact O-CA 3.47Å; C148-S160 VanDerWaalsContact CB-OG 3.23Å; C148-S160 WeakPolarHBondContact CB-OG 3.32Å; C148-S160 PolarHBondContact N-OG 3.36Å; C148-S160 VanDerWaalsContact N-OG 3.12Å; C148-S160 PolarHBondContact O-N 3.36Å; C148-S160 PolarHBondContact O-OG 3.21Å; C148-L190 HydrophobicContact CB-CD2 4.31Å; C148-L190 HydrophobicContact CB-CG 4.06Å
149	C	97.8	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.8	170.5	63.9	0	0	0	0	111.2	T102 A104 I157 I158 T159	T102-C149 HydrophobicContact CG2-CB 4.35Å; T102-C149 PolarHBondContact OG1-N 2.89Å; T102-C149 VanDerWaalsContact OG1-N 3.12Å; T102-C149 PolarHBondContact OG1-SG 3.24Å; T102-C149 VanDerWaalsContact OG1-SG 3.41Å; A104-C149 WeakPolarHBondContact CB-O 3.35Å; C149-I157 HydrophobicContact CB-CD1 4.08Å; C149-I157 HydrophobicContact CB-CG1 4.45Å; C149-I158 CarbonylContact C-O 3.54Å; C149-I158 VanDerWaalsContact CA-O 3.23Å; C149-I158 WeakPolarHBondContact CA-O 3.49Å; C149-T159 HydrophobicContact CB-CG2 4.04Å
150	R	98.1	Very high	96.2	Very high	60 Å²	60	29 Å²	29	23%	0.226	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	132.1	175.2	-67.3	-66.4	176.6	-106.8	6.7	110.7	C103 I157 I158 L190 V192	C103-R150 PolarHBondContact O-NH1 2.55Å; R150-I157 WeakPolarHBondContact O-CG1 3.22Å; R150-I158 PolarHBondContact N-O 2.95Å; R150-I158 PolarHBondContact O-N 2.78Å; R150-L190 HydrophobicContact CB-CD1 3.74Å; R150-L190 HydrophobicContact CG-CD1 3.5Å; R150-V192 HydrophobicContact CB-CG2 3.7Å; R150-V192 HydrophobicContact CG-CG2 4.34Å
151	F	97.7	Very high	96.4	Very high	8 Å²	8	26 Å²	26	4%	0.035	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.1	173.4	-71.6	-86.1	0	0	0	110.4	A104 A106 M111 A113 I123 I157 I171	A104-F151 HydrophobicContact CB-CD2 3.77Å; A104-F151 HydrophobicContact CB-CE2 3.9Å; A106-F151 HydrophobicContact CB-CB 4.35Å; A106-F151 HydrophobicContact CB-CD1 4.08Å; A106-F151 HydrophobicContact CB-CD2 3.87Å; A106-F151 HydrophobicContact CB-CE1 4.28Å; A106-F151 HydrophobicContact CB-CE2 4.09Å; A106-F151 HydrophobicContact CB-CG 3.86Å; A106-F151 HydrophobicContact CB-CZ 4.28Å; M111-F151 HydrophobicContact CB-CE1 4.41Å; M111-F151 HydrophobicContact CB-CZ 4.17Å; A113-F151 HydrophobicContact CB-CE2 3.55Å; A113-F151 HydrophobicContact CB-CZ 3.53Å; I123-F151 HydrophobicContact CG2-CE1 4.42Å; I123-F151 HydrophobicContact CG2-CZ 4.28Å; F151-I157 HydrophobicContact CD1-CB 4.09Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; F151-I157 HydrophobicContact CD1-CG1 4.24Å; F151-I157 HydrophobicContact CD2-CD1 4.28Å; F151-I157 HydrophobicContact CE1-CB 4.41Å; F151-I157 HydrophobicContact CE1-CD1 3.96Å; F151-I157 HydrophobicContact CE2-CD1 4.12Å; F151-I157 HydrophobicContact CG-CD1 4.3Å; F151-I157 HydrophobicContact CG-CG1 4.36Å; F151-I157 HydrophobicContact CZ-CD1 3.96Å; F151-I171 HydrophobicContact CD1-CD1 3.82Å; F151-I171 HydrophobicContact CE1-CD1 3.66Å
152	L	96.6	Very high	96.8	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.105	14%	0.14	C	C	.	.	S	Bend	trans	-88.1	-38.2	162.9	-59.2	179.7	0	0	0	110.2	E156 I158 L168 V192 F196 I213	L152-E156 HydrophobicContact CB-CB 4.14Å; L152-E156 HydrophobicContact CD1-CB 4.32Å; L152-E156 PolarHBondContact N-O 2.89Å; L152-I158 HydrophobicContact CD1-CD1 3.99Å; L152-I158 HydrophobicContact CD1-CG1 4.09Å; L152-I158 HydrophobicContact CD2-CD1 3.87Å; L152-I158 HydrophobicContact CD2-CG1 4.37Å; L152-I158 HydrophobicContact CG-CD1 4.12Å; L152-I158 HydrophobicContact CG-CG1 4.14Å; L152-L168 HydrophobicContact CD1-CD1 3.61Å; L152-V192 HydrophobicContact CD2-CB 4.4Å; L152-V192 HydrophobicContact CD2-CG1 3.52Å; L152-V192 HydrophobicContact CD2-CG2 3.93Å; L152-F196 HydrophobicContact CB-CD1 4.37Å; L152-F196 HydrophobicContact CD2-CD1 3.89Å; L152-I213 HydrophobicContact CD1-CD1 4.05Å; L152-I213 HydrophobicContact CD1-CG2 4.09Å; L152-I213 HydrophobicContact CD2-CD1 3.87Å
153	S	95.3	Very high	96.9	Very high	37 Å²	37	25.6 Å²	25.6	26%	0.259	15%	0.145	S	C	.	.	S	Bend	trans	-158.2	-176.8	-179.2	66.6	0	0	0	0	109.7	S155 E156	S153-S155 PolarHBondContact O-N 2.87Å; S153-S155 PolarHBondContact OG-N 3.14Å; S153-S155 PolarHBondContact OG-OG 3.03Å; S153-E156 PolarHBondContact N-O 2.79Å; S153-E156 PolarHBondContact O-N 3.23Å; S153-E156 VanDerWaalsContact O-O 3.06Å; S153-E156 PolarHBondContact OG-N 2.91Å
154	D	94.4	Very high	97	Very high	59 Å²	59	21.4 Å²	21.4	32%	0.316	12%	0.121	S	C	.	.	S	Bend	trans	-68.9	-12.6	174	-76.8	4.9	0	0	0	113.1	S108 N110 M111	S108-D154 VanDerWaalsContact CB-CG 3.5Å; S108-D154 WeakPolarHBondContact CB-OD1 3.49Å; S108-D154 WeakPolarHBondContact CB-OD2 3.37Å; S108-D154 PolarHBondContact OG-OD1 3.34Å; S108-D154 PolarHBondContact OG-OD2 3.01Å; N110-D154 PolarHBondContact ND2-OD2 2.76Å; N110-D154 VanDerWaalsContact ND2-OD2 3.09Å; M111-D154 HydrophobicContact SD-CB 4.16Å
155	S	95.3	Very high	97.1	Very high	50 Å²	50	22.1 Å²	22.1	35%	0.35	12%	0.123	S	C	.	.	S	Bend	trans	-105.7	-15.5	178.7	59.3	0	0	0	0	113.7	S153 I171	S153-S155 PolarHBondContact O-N 2.87Å; S153-S155 PolarHBondContact OG-N 3.14Å; S153-S155 PolarHBondContact OG-OG 3.03Å; S155-I171 WeakPolarHBondContact O-CB 3.36Å; S155-I171 WeakPolarHBondContact O-CG1 3.43Å; S155-I171 PolarHBondContact O-N 2.89Å
156	E	96.9	Very high	97.2	Very high	51 Å²	51	19.8 Å²	19.8	24%	0.238	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.4	-171.5	-68	178.4	152.6	0	0	112.6	L152 S153 L168 W169 K177	L152-E156 HydrophobicContact CB-CB 4.14Å; L152-E156 HydrophobicContact CD1-CB 4.32Å; L152-E156 PolarHBondContact N-O 2.89Å; S153-E156 PolarHBondContact N-O 2.79Å; S153-E156 PolarHBondContact O-N 3.23Å; S153-E156 VanDerWaalsContact O-O 3.06Å; S153-E156 PolarHBondContact OG-N 2.91Å; E156-L168 HydrophobicContact CB-CD1 4.26Å; E156-W169 WeakPolarHBondContact CA-O 3.27Å; E156-K177 IonicContact OE1-NZ 3.24Å; E156-K177 PolarHBondContact OE1-NZ 3.27Å
157	I	98	Very high	97.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.5	177.3	-170.1	171.2	0	0	0	109.8	A113 I123 L139 C149 R150 F151 W169 I171	A113-I157 HydrophobicContact CB-CD1 3.58Å; I123-I157 HydrophobicContact CD1-CG2 4.24Å; L139-I157 HydrophobicContact CD1-CG2 3.62Å; C149-I157 HydrophobicContact CB-CD1 4.08Å; C149-I157 HydrophobicContact CB-CG1 4.45Å; R150-I157 WeakPolarHBondContact O-CG1 3.22Å; F151-I157 HydrophobicContact CD1-CB 4.09Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; F151-I157 HydrophobicContact CD1-CG1 4.24Å; F151-I157 HydrophobicContact CD2-CD1 4.28Å; F151-I157 HydrophobicContact CE1-CB 4.41Å; F151-I157 HydrophobicContact CE1-CD1 3.96Å; F151-I157 HydrophobicContact CE2-CD1 4.12Å; F151-I157 HydrophobicContact CG-CD1 4.3Å; F151-I157 HydrophobicContact CG-CG1 4.36Å; F151-I157 HydrophobicContact CZ-CD1 3.96Å; I157-W169 HydrophobicContact CG2-CB 3.77Å; I157-W169 HydrophobicContact CG2-CG 4.26Å; I157-W169 PolarHBondContact N-O 3.47Å; I157-W169 PolarHBondContact O-N 2.93Å; I157-I171 HydrophobicContact CB-CD1 4.11Å; I157-I171 HydrophobicContact CB-CG1 4.39Å; I157-I171 HydrophobicContact CG2-CD1 4.14Å; I157-I171 HydrophobicContact CG2-CG1 3.9Å
158	I	98.2	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.3	171.3	-58.7	178.2	0	0	0	108.6	C149 R150 L152 V167 L168 L190 F199 I213	C149-I158 CarbonylContact C-O 3.54Å; C149-I158 VanDerWaalsContact CA-O 3.23Å; C149-I158 WeakPolarHBondContact CA-O 3.49Å; R150-I158 PolarHBondContact N-O 2.95Å; R150-I158 PolarHBondContact O-N 2.78Å; L152-I158 HydrophobicContact CD1-CD1 3.99Å; L152-I158 HydrophobicContact CD1-CG1 4.09Å; L152-I158 HydrophobicContact CD2-CD1 3.87Å; L152-I158 HydrophobicContact CD2-CG1 4.37Å; L152-I158 HydrophobicContact CG-CD1 4.12Å; L152-I158 HydrophobicContact CG-CG1 4.14Å; I158-V167 CarbonylContact C-O 3.6Å; I158-V167 VanDerWaalsContact CA-O 3.32Å; I158-V167 WeakPolarHBondContact CA-O 3.37Å; I158-L168 HydrophobicContact CG1-CD1 3.76Å; I158-L190 HydrophobicContact CG2-CD1 4.41Å; I158-L190 HydrophobicContact CG2-CD2 3.93Å; I158-F199 HydrophobicContact CD1-CB 4.26Å; I158-F199 HydrophobicContact CD1-CD1 3.76Å; I158-F199 HydrophobicContact CD1-CE1 4.3Å; I158-F199 HydrophobicContact CD1-CG 4.08Å; I158-F199 HydrophobicContact CG2-CD2 4.44Å; I158-F199 HydrophobicContact CG2-CE2 4.4Å; I158-F199 HydrophobicContact CG2-CZ 4.46Å; I158-I213 HydrophobicContact CD1-CD1 3.75Å; I158-I213 HydrophobicContact CD1-CG1 4Å
159	T	98.3	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.5	174.7	56.8	0	0	0	0	111.4	C121 H142 L146 C148 C149 C166 V167 W169	C121-T159 HydrophobicContact CB-CG2 4.02Å; H142-T159 PolarHBondContact NE2-OG1 2.88Å; L146-T159 HydrophobicContact CD1-CG2 3.92Å; L146-T159 HydrophobicContact CD2-CG2 4.36Å; C148-T159 WeakPolarHBondContact O-CA 3.47Å; C149-T159 HydrophobicContact CB-CG2 4.04Å; T159-C166 CarbonylContact O-C 3.55Å; T159-C166 WeakPolarHBondContact O-CA 3.34Å; T159-C166 VanDerWaalsContact O-CB 3.3Å; T159-C166 WeakPolarHBondContact O-CB 3.35Å; T159-V167 PolarHBondContact N-O 3.35Å; T159-V167 PolarHBondContact O-N 3.43Å; T159-V167 PolarHBondContact OG1-O 2.98Å; T159-W169 PolarHBondContact OG1-NE1 2.77Å
160	S	97.8	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.3	166.4	57.2	0	0	0	0	110.1	S147 C148 C187	S147-S160 PolarHBondContact N-O 3.11Å; S147-S160 WeakPolarHBondContact OG-CB 3.2Å; S147-S160 PolarHBondContact OG-O 2.96Å; S147-S160 VanDerWaalsContact OG-O 3.09Å; S147-S160 PolarHBondContact OG-OG 3.17Å; C148-S160 VanDerWaalsContact CB-OG 3.23Å; C148-S160 WeakPolarHBondContact CB-OG 3.32Å; C148-S160 PolarHBondContact N-OG 3.36Å; C148-S160 VanDerWaalsContact N-OG 3.12Å; C148-S160 PolarHBondContact O-N 3.36Å; C148-S160 PolarHBondContact O-OG 3.21Å; S160-C187 WeakPolarHBondContact CB-SG 3.42Å
161	S	97.9	Very high	97.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.8	-173.4	173.3	0	0	0	0	113	H142 G144 Y145 D163 C164 T165 C187	H142-S161 WeakPolarHBondContact CE1-CB 3.35Å; H142-S161 VanDerWaalsContact CG-CB 3.46Å; H142-S161 WeakPolarHBondContact ND1-CB 3.5Å; H142-S161 PolarHBondContact ND1-OG 3Å; G144-S161 PolarHBondContact O-OG 2.75Å; Y145-S161 CarbonylContact O-C 3.58Å; Y145-S161 VanDerWaalsContact O-CA 3.23Å; Y145-S161 WeakPolarHBondContact O-CA 3.36Å; Y145-S161 PolarHBondContact O-OG 3.34Å; S161-D163 VanDerWaalsContact CB-OD1 3.29Å; S161-D163 WeakPolarHBondContact CB-OD1 3.21Å; S161-D163 PolarHBondContact O-N 2.78Å; S161-D163 PolarHBondContact OG-N 2.84Å; S161-D163 VanDerWaalsContact OG-N 3.15Å; S161-D163 PolarHBondContact OG-OD1 3.37Å; S161-D163 PolarHBondContact OG-OD2 2.91Å; S161-C164 PolarHBondContact O-N 3.25Å; S161-T165 PolarHBondContact N-O 2.87Å; S161-T165 VanDerWaalsContact N-O 3.09Å; S161-C187 WeakPolarHBondContact O-CB 3.43Å; S161-C187 PolarHBondContact O-N 2.93Å; S161-C187 VanDerWaalsContact O-N 3.14Å
162	G	97.1	Very high	96.9	Very high	10 Å²	10	24.4 Å²	24.4	10%	0.103	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.3	168.9	0	0	0	0	0	114.1	Y145 C164	Y145-G162 PolarHBondContact O-N 3.2Å; G162-C164 PolarHBondContact O-N 3.47Å
163	D	96.8	Very high	96.8	Very high	33 Å²	33	27.5 Å²	27.5	18%	0.176	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	15.2	171.5	61.7	29.1	0	0	0	114.2	H142 T143 S161 T165	H142-D163 WeakPolarHBondContact CA-OD2 3.1Å; H142-D163 VanDerWaalsContact CB-OD2 3.29Å; H142-D163 WeakPolarHBondContact CB-OD2 3.49Å; H142-D163 IonicContact CG-OD2 3.2Å; H142-D163 IonicContact ND1-OD1 3.43Å; H142-D163 PolarHBondContact ND1-OD1 3.32Å; H142-D163 IonicContact ND1-OD2 2.65Å; H142-D163 PolarHBondContact ND1-OD2 3Å; T143-D163 PolarHBondContact N-OD2 3.06Å; T143-D163 VanDerWaalsContact OG1-CB 3.31Å; T143-D163 WeakPolarHBondContact OG1-CB 3.43Å; S161-D163 VanDerWaalsContact CB-OD1 3.29Å; S161-D163 WeakPolarHBondContact CB-OD1 3.21Å; S161-D163 PolarHBondContact O-N 2.78Å; S161-D163 PolarHBondContact OG-N 2.84Å; S161-D163 VanDerWaalsContact OG-N 3.15Å; S161-D163 PolarHBondContact OG-OD1 3.37Å; S161-D163 PolarHBondContact OG-OD2 2.91Å; D163-T165 PolarHBondContact O-N 3.16Å; D163-T165 WeakPolarHBondContact OD1-CB 3.18Å; D163-T165 PolarHBondContact OD1-N 2.93Å; D163-T165 PolarHBondContact OD1-OG1 3.45Å
164	C	97.2	Very high	96.7	Very high	34 Å²	34	26.8 Å²	26.8	23%	0.23	16%	0.155	C	C	.	.	S	Bend	trans	67.2	13.8	-178.5	-49.6	0	0	0	0	114.6	S161 G162 H183 G185	S161-C164 PolarHBondContact O-N 3.25Å; G162-C164 PolarHBondContact O-N 3.47Å; C164-H183 HydrophobicContact CB-CB 4.48Å; C164-G185 VanDerWaalsContact SG-CA 3.59Å; C164-G185 PolarHBondContact SG-O 3.17Å; C164-G185 VanDerWaalsContact SG-O 3.36Å
165	T	97.2	Very high	96.7	Very high	28 Å²	28	27.8 Å²	27.8	17%	0.172	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154.9	178.9	74.4	0	0	0	0	113.2	H142 S161 D163 I179 A181	H142-T165 PolarHBondContact CE1-OG1 2.55Å; S161-T165 PolarHBondContact N-O 2.87Å; S161-T165 VanDerWaalsContact N-O 3.09Å; D163-T165 PolarHBondContact O-N 3.16Å; D163-T165 WeakPolarHBondContact OD1-CB 3.18Å; D163-T165 PolarHBondContact OD1-N 2.93Å; D163-T165 PolarHBondContact OD1-OG1 3.45Å; T165-I179 HydrophobicContact CG2-CG2 4.3Å; T165-A181 HydrophobicContact CG2-CB 4.43Å
166	C	97.9	Very high	96.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.2	160.7	-63.7	0	0	0	0	109.3	T159 F180 C187 F199	T159-C166 CarbonylContact O-C 3.55Å; T159-C166 WeakPolarHBondContact O-CA 3.34Å; T159-C166 VanDerWaalsContact O-CB 3.3Å; T159-C166 WeakPolarHBondContact O-CB 3.35Å; C166-F180 HydrophobicContact CB-CB 4.11Å; C166-F180 HydrophobicContact CB-CD2 4.32Å; C166-F180 PolarHBondContact N-O 3.46Å; C166-F180 PolarHBondContact O-N 2.98Å; C166-C187 VanDerWaalsContact SG-SG 3.6Å; C166-F199 HydrophobicContact CB-CE2 3.89Å; C166-F199 HydrophobicContact CB-CZ 3.92Å
167	V	98	Very high	96.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.9	-178.5	178.7	0	0	0	0	110.4	H142 I158 T159 W169 E176 T178 I179	H142-V167 VanDerWaalsContact CE1-CG2 3.45Å; H142-V167 WeakPolarHBondContact CE1-CG2 3.41Å; I158-V167 CarbonylContact C-O 3.6Å; I158-V167 VanDerWaalsContact CA-O 3.32Å; I158-V167 WeakPolarHBondContact CA-O 3.37Å; T159-V167 PolarHBondContact N-O 3.35Å; T159-V167 PolarHBondContact O-N 3.43Å; T159-V167 PolarHBondContact OG1-O 2.98Å; V167-W169 HydrophobicContact CB-CZ2 4.32Å; V167-W169 HydrophobicContact CG1-CD2 3.91Å; V167-W169 VanDerWaalsContact CG1-CE2 3.45Å; V167-W169 HydrophobicContact CG1-CG 4.18Å; V167-W169 HydrophobicContact CG1-CZ2 3.91Å; V167-W169 VanDerWaalsContact O-CD1 3.28Å; V167-E176 HydrophobicContact CG1-CB 3.92Å; V167-E176 HydrophobicContact CG1-CG 3.89Å; V167-T178 CarbonylContact C-O 3.6Å; V167-T178 WeakPolarHBondContact CA-O 3.23Å; V167-I179 HydrophobicContact CG2-CG1 4.26Å; V167-I179 HydrophobicContact CG2-CG2 4.39Å
168	L	98.1	Very high	96.6	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.2	165	174.5	68.9	0	0	0	108.8	L152 E156 I158 K177 T178 F180 I213	L152-L168 HydrophobicContact CD1-CD1 3.61Å; E156-L168 HydrophobicContact CB-CD1 4.26Å; I158-L168 HydrophobicContact CG1-CD1 3.76Å; L168-K177 HydrophobicContact CB-CB 4.49Å; L168-K177 HydrophobicContact CD2-CB 4.11Å; L168-K177 HydrophobicContact CD2-CD 4.33Å; L168-K177 HydrophobicContact CG-CB 4.09Å; L168-K177 HydrophobicContact CG-CD 4.42Å; L168-K177 WeakPolarHBondContact O-CB 3.33Å; L168-K177 PolarHBondContact O-N 2.88Å; L168-T178 PolarHBondContact N-O 3.35Å; L168-T178 PolarHBondContact O-N 3.01Å; L168-F180 HydrophobicContact CB-CE2 3.83Å; L168-F180 HydrophobicContact CB-CZ 4.41Å; L168-I213 HydrophobicContact CD2-CG2 3.95Å
169	W	97.9	Very high	96.5	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.1	-176.5	-61.8	87	0	0	0	112	L139 A141 E156 I157 T159 V167 E176	L139-W169 HydrophobicContact CB-CD2 4.03Å; L139-W169 HydrophobicContact CB-CE3 3.87Å; L139-W169 HydrophobicContact CB-CH2 3.98Å; L139-W169 HydrophobicContact CB-CZ2 4.23Å; L139-W169 HydrophobicContact CB-CZ3 3.83Å; L139-W169 HydrophobicContact CD1-CB 3.78Å; L139-W169 HydrophobicContact CD1-CD2 3.89Å; L139-W169 HydrophobicContact CD1-CE3 4.21Å; L139-W169 HydrophobicContact CD1-CG 3.71Å; L139-W169 HydrophobicContact CD2-CD2 4.39Å; L139-W169 HydrophobicContact CD2-CE3 3.87Å; L139-W169 HydrophobicContact CD2-CZ3 4.34Å; L139-W169 HydrophobicContact CG-CD2 4.33Å; L139-W169 HydrophobicContact CG-CE3 4.2Å; A141-W169 HydrophobicContact CB-CH2 3.29Å; A141-W169 HydrophobicContact CB-CZ2 3.9Å; A141-W169 HydrophobicContact CB-CZ3 4.21Å; E156-W169 WeakPolarHBondContact CA-O 3.27Å; I157-W169 HydrophobicContact CG2-CB 3.77Å; I157-W169 HydrophobicContact CG2-CG 4.26Å; I157-W169 PolarHBondContact N-O 3.47Å; I157-W169 PolarHBondContact O-N 2.93Å; T159-W169 PolarHBondContact OG1-NE1 2.77Å; V167-W169 HydrophobicContact CB-CZ2 4.32Å; V167-W169 HydrophobicContact CG1-CD2 3.91Å; V167-W169 VanDerWaalsContact CG1-CE2 3.45Å; V167-W169 HydrophobicContact CG1-CG 4.18Å; V167-W169 HydrophobicContact CG1-CZ2 3.91Å; V167-W169 VanDerWaalsContact O-CD1 3.28Å; W169-E176 HydrophobicContact CD2-CG 4.37Å; W169-E176 HydrophobicContact CE3-CB 4.42Å; W169-E176 HydrophobicContact CE3-CG 3.81Å; W169-E176 HydrophobicContact CH2-CG 3.55Å; W169-E176 HydrophobicContact CZ2-CG 4.07Å; W169-E176 HydrophobicContact CZ3-CB 4.41Å; W169-E176 HydrophobicContact CZ3-CG 3.37Å
170	D	96.9	Very high	96.5	Very high	24 Å²	24	37.4 Å²	37.4	13%	0.128	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.7	159.3	-166.7	-55.7	0	0	0	109.5	E172 T173 G174 T175 K177	D170-E172 WeakPolarHBondContact OD1-CA 3.45Å; D170-E172 WeakPolarHBondContact OD1-CB 3.33Å; D170-E172 PolarHBondContact OD1-N 2.88Å; D170-T173 WeakPolarHBondContact CB-OG1 3.44Å; D170-T173 PolarHBondContact OD1-N 2.76Å; D170-T173 VanDerWaalsContact OD1-N 3.16Å; D170-G174 VanDerWaalsContact O-CA 3.22Å; D170-G174 WeakPolarHBondContact O-CA 3.32Å; D170-G174 PolarHBondContact O-N 3.41Å; D170-T175 PolarHBondContact N-O 3.45Å; D170-T175 PolarHBondContact O-N 3.03Å; D170-K177 HydrophobicContact CB-CD 3.91Å; D170-K177 HydrophobicContact CB-CG 3.98Å; D170-K177 WeakPolarHBondContact OD2-CE 3.27Å; D170-K177 IonicContact OD2-NZ 3.69Å; D170-K177 PolarHBondContact OD2-NZ 3.17Å
171	I	95.6	Very high	96.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.9	-176.6	-60.5	173	0	0	0	111.3	M111 I123 M136 R137 F151 S155 I157	M111-I171 HydrophobicContact CE-CG2 4.19Å; I123-I171 HydrophobicContact CD1-CB 4.22Å; I123-I171 HydrophobicContact CD1-CD1 3.97Å; I123-I171 HydrophobicContact CD1-CG1 3.68Å; I123-I171 HydrophobicContact CD1-CG2 3.69Å; I123-I171 HydrophobicContact CG2-CG2 4.5Å; M136-I171 HydrophobicContact CE-CG2 4.37Å; R137-I171 PolarHBondContact NE-O 2.87Å; F151-I171 HydrophobicContact CD1-CD1 3.82Å; F151-I171 HydrophobicContact CE1-CD1 3.66Å; S155-I171 WeakPolarHBondContact O-CB 3.36Å; S155-I171 WeakPolarHBondContact O-CG1 3.43Å; S155-I171 PolarHBondContact O-N 2.89Å; I157-I171 HydrophobicContact CB-CD1 4.11Å; I157-I171 HydrophobicContact CB-CG1 4.39Å; I157-I171 HydrophobicContact CG2-CD1 4.14Å; I157-I171 HydrophobicContact CG2-CG1 3.9Å
172	E	93.3	Very high	96.3	Very high	149 Å²	149	42.6 Å²	42.6	70%	0.696	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-50.3	-177.3	-173.6	173.7	-178.1	0	0	110.1	R137 D170	R137-E172 PolarHBondContact NH2-O 3.16Å; D170-E172 WeakPolarHBondContact OD1-CA 3.45Å; D170-E172 WeakPolarHBondContact OD1-CB 3.33Å; D170-E172 PolarHBondContact OD1-N 2.88Å
173	T	93.9	Very high	96.3	Very high	86 Å²	86	42.7 Å²	42.7	53%	0.528	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-24.3	179.3	63.3	0	0	0	0	112.9	D170 T175	D170-T173 WeakPolarHBondContact CB-OG1 3.44Å; D170-T173 PolarHBondContact OD1-N 2.76Å; D170-T173 VanDerWaalsContact OD1-N 3.16Å; T173-T175 VanDerWaalsContact C-N 3.3Å; T173-T175 PolarHBondContact OG1-N 2.82Å; T173-T175 PolarHBondContact OG1-OG1 3.33Å
174	G	93.5	Very high	96.2	Very high	22 Å²	22	48.6 Å²	48.6	23%	0.227	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	19.2	-173.8	0	0	0	0	0	113.7	D170	D170-G174 VanDerWaalsContact O-CA 3.22Å; D170-G174 WeakPolarHBondContact O-CA 3.32Å; D170-G174 PolarHBondContact O-N 3.41Å
175	T	94.5	Very high	96.2	Very high	79 Å²	79	47.5 Å²	47.5	49%	0.485	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.8	-176.2	59.9	0	0	0	0	111.8	D170 T173 K177	D170-T175 PolarHBondContact N-O 3.45Å; D170-T175 PolarHBondContact O-N 3.03Å; T173-T175 VanDerWaalsContact C-N 3.3Å; T173-T175 PolarHBondContact OG1-N 2.82Å; T173-T175 PolarHBondContact OG1-OG1 3.33Å; T175-K177 PolarHBondContact O-N 3.26Å
176	E	95.9	Very high	96.3	Very high	88 Å²	88	49 Å²	49	41%	0.411	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.9	170.5	-54.9	163.8	-121.5	0	0	109.4	A141 V167 W169 I179	A141-E176 HydrophobicContact CB-CG 3.79Å; A141-E176 WeakPolarHBondContact CB-OE1 3.17Å; V167-E176 HydrophobicContact CG1-CB 3.92Å; V167-E176 HydrophobicContact CG1-CG 3.89Å; W169-E176 HydrophobicContact CD2-CG 4.37Å; W169-E176 HydrophobicContact CE3-CB 4.42Å; W169-E176 HydrophobicContact CE3-CG 3.81Å; W169-E176 HydrophobicContact CH2-CG 3.55Å; W169-E176 HydrophobicContact CZ2-CG 4.07Å; W169-E176 HydrophobicContact CZ3-CB 4.41Å; W169-E176 HydrophobicContact CZ3-CG 3.37Å; E176-I179 WeakPolarHBondContact OE2-CD1 3.33Å
177	K	95.8	Very high	96.2	Very high	86 Å²	86	48.9 Å²	48.9	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-42.7	173.8	-83.8	177.8	154.5	161.1	0	111.4	E156 L168 D170 T175	E156-K177 IonicContact OE1-NZ 3.24Å; E156-K177 PolarHBondContact OE1-NZ 3.27Å; L168-K177 HydrophobicContact CB-CB 4.49Å; L168-K177 HydrophobicContact CD2-CB 4.11Å; L168-K177 HydrophobicContact CD2-CD 4.33Å; L168-K177 HydrophobicContact CG-CB 4.09Å; L168-K177 HydrophobicContact CG-CD 4.42Å; L168-K177 WeakPolarHBondContact O-CB 3.33Å; L168-K177 PolarHBondContact O-N 2.88Å; D170-K177 HydrophobicContact CB-CD 3.91Å; D170-K177 HydrophobicContact CB-CG 3.98Å; D170-K177 WeakPolarHBondContact OD2-CE 3.27Å; D170-K177 IonicContact OD2-NZ 3.69Å; D170-K177 PolarHBondContact OD2-NZ 3.17Å; T175-K177 PolarHBondContact O-N 3.26Å
178	T	96.8	Very high	96.2	Very high	34 Å²	34	51 Å²	51	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	133.9	-171.9	-54.9	0	0	0	0	110	V167 L168 F180 A216	V167-T178 CarbonylContact C-O 3.6Å; V167-T178 WeakPolarHBondContact CA-O 3.23Å; L168-T178 PolarHBondContact N-O 3.35Å; L168-T178 PolarHBondContact O-N 3.01Å; T178-F180 HydrophobicContact CG2-CD1 4.46Å; T178-F180 HydrophobicContact CG2-CD2 4.44Å; T178-F180 HydrophobicContact CG2-CE1 4.01Å; T178-F180 HydrophobicContact CG2-CE2 3.96Å; T178-F180 HydrophobicContact CG2-CZ 3.72Å; T178-A216 HydrophobicContact CG2-CB 3.32Å
179	I	96.9	Very high	96.1	Very high	93 Å²	93	51.1 Å²	51.1	48%	0.477	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124	173.8	-55.1	174	0	0	0	107.9	T165 V167 E176	T165-I179 HydrophobicContact CG2-CG2 4.3Å; V167-I179 HydrophobicContact CG2-CG1 4.26Å; V167-I179 HydrophobicContact CG2-CG2 4.39Å; E176-I179 WeakPolarHBondContact OE2-CD1 3.33Å
180	F	97.8	Very high	96.1	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	97.9	174.7	-55	-90.3	0	0	0	108.2	C166 L168 T178 F199 W211	C166-F180 HydrophobicContact CB-CB 4.11Å; C166-F180 HydrophobicContact CB-CD2 4.32Å; C166-F180 PolarHBondContact N-O 3.46Å; C166-F180 PolarHBondContact O-N 2.98Å; L168-F180 HydrophobicContact CB-CE2 3.83Å; L168-F180 HydrophobicContact CB-CZ 4.41Å; T178-F180 HydrophobicContact CG2-CD1 4.46Å; T178-F180 HydrophobicContact CG2-CD2 4.44Å; T178-F180 HydrophobicContact CG2-CE1 4.01Å; T178-F180 HydrophobicContact CG2-CE2 3.96Å; T178-F180 HydrophobicContact CG2-CZ 3.72Å; F180-F199 HydrophobicContact CB-CZ 4.07Å; F180-F199 AromaticContact CD1-CE1 3.85Å; F180-F199 HydrophobicContact CD1-CE1 3.85Å; F180-F199 AromaticContact CD1-CZ 3.97Å; F180-F199 HydrophobicContact CD1-CZ 3.97Å; F180-F199 AromaticContact CD2-CE1 3.84Å; F180-F199 HydrophobicContact CD2-CE1 3.84Å; F180-F199 AromaticContact CD2-CZ 3.69Å; F180-F199 HydrophobicContact CD2-CZ 3.69Å; F180-F199 AromaticContact CE1-CE1 3.73Å; F180-F199 HydrophobicContact CE1-CE1 3.73Å; F180-F199 HydrophobicContact CE1-CZ 4.32Å; F180-F199 AromaticContact CE2-CE1 3.75Å; F180-F199 HydrophobicContact CE2-CE1 3.75Å; F180-F199 HydrophobicContact CE2-CZ 4.08Å; F180-F199 AromaticContact CG-CE1 3.9Å; F180-F199 HydrophobicContact CG-CE1 3.9Å; F180-F199 AromaticContact CG-CZ 3.64Å; F180-F199 HydrophobicContact CG-CZ 3.64Å; F180-F199 AromaticContact CZ-CE1 3.7Å; F180-F199 HydrophobicContact CZ-CE1 3.7Å; F180-F199 HydrophobicContact CZ-CZ 4.39Å; F180-W211 HydrophobicContact CB-CD2 4.08Å; F180-W211 HydrophobicContact CB-CE3 3.84Å; F180-W211 HydrophobicContact CB-CH2 4.38Å; F180-W211 HydrophobicContact CB-CZ3 3.98Å; F180-W211 HydrophobicContact CD1-CB 4.12Å; F180-W211 HydrophobicContact CD1-CD2 4.2Å; F180-W211 AromaticContact CD1-CE3 3.8Å; F180-W211 HydrophobicContact CD1-CE3 3.8Å; F180-W211 HydrophobicContact CD1-CG 4.36Å; F180-W211 HydrophobicContact CE1-CB 4.39Å; F180-W211 HydrophobicContact CG-CD2 4.49Å; F180-W211 HydrophobicContact CG-CE3 4.28Å
181	A	95.9	Very high	96.1	Very high	70 Å²	70	50.7 Å²	50.7	58%	0.579	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	136	178.2	0	0	0	0	0	110.2	T165	T165-A181 HydrophobicContact CG2-CB 4.43Å
182	G	94.4	Very high	96.2	Very high	39 Å²	39	51.9 Å²	51.9	40%	0.402	30%	0.3	S	S	.	.			trans	163.2	-11.2	176.8	0	0	0	0	0	115.2	K209	G182-K209 WeakPolarHBondContact O-CE 3.29Å
183	H	97.1	Very high	96.4	Very high	12 Å²	12	45 Å²	45	6%	0.056	27%	0.268	C	S	.	.			trans	-73.7	153.6	165	-79.9	-65.4	0	0	0	111.2	C164 S201 A203 D205 T207	C164-H183 HydrophobicContact CB-CB 4.48Å; H183-S201 PolarHBondContact CD2-OG 3.03Å; H183-S201 PolarHBondContact NE2-OG 2.73Å; H183-A203 HydrophobicContact CB-CB 4.23Å; H183-A203 VanDerWaalsContact ND1-CB 3.32Å; H183-A203 WeakPolarHBondContact ND1-CB 3.39Å; H183-D205 VanDerWaalsContact CA-OD2 3.28Å; H183-D205 WeakPolarHBondContact CA-OD2 3.37Å; H183-D205 WeakPolarHBondContact CB-OD2 3.29Å; H183-D205 IonicContact CE1-OD1 3.48Å; H183-D205 IonicContact CG-OD2 3.43Å; H183-D205 IonicContact ND1-OD1 2.77Å; H183-D205 PolarHBondContact ND1-OD1 3.39Å; H183-D205 IonicContact ND1-OD2 2.9Å; H183-D205 PolarHBondContact ND1-OD2 3.27Å; H183-T207 PolarHBondContact CE1-O 3.32Å
184	L	96.4	Very high	96.3	Very high	158 Å²	158	44.2 Å²	44.2	83%	0.827	27%	0.265	S	S	*	.	S	Bend	trans	-111.2	1.2	179.4	-60.6	178.4	0	0	0	113	D205	L184-D205 HydrophobicContact CB-CB 4.09Å; L184-D205 PolarHBondContact N-OD2 3.26Å
185	G	96.8	Very high	96.3	Very high	10 Å²	10	46.7 Å²	46.7	10%	0.103	27%	0.273	C	S	.	.	S	Bend	trans	-145.5	173	175.9	0	0	0	0	0	110.6	C164 C187	C164-G185 VanDerWaalsContact SG-CA 3.59Å; C164-G185 PolarHBondContact SG-O 3.17Å; C164-G185 VanDerWaalsContact SG-O 3.36Å; G185-C187 PolarHBondContact O-N 3.34Å
186	D	97.7	Very high	96.4	Very high	59 Å²	59	47.6 Å²	47.6	32%	0.316	27%	0.27	S	S	.	.			trans	-51.1	124.6	-177.5	-62	16.7	0	0	0	110.8	Y145 M188 A203 C204	Y145-D186 WeakPolarHBondContact CE1-OD2 3.43Å; Y145-D186 VanDerWaalsContact OH-CB 3.3Å; Y145-D186 WeakPolarHBondContact OH-CB 3.3Å; Y145-D186 PolarHBondContact OH-OD2 3.07Å; D186-M188 HydrophobicContact CB-SD 4.38Å; D186-M188 PolarHBondContact O-N 3.37Å; D186-A203 CarbonylContact O-C 3.57Å; D186-A203 WeakPolarHBondContact O-CA 3.26Å; D186-A203 VanDerWaalsContact O-CB 3.31Å; D186-A203 WeakPolarHBondContact O-CB 3.18Å; D186-C204 HydrophobicContact CB-CB 4.39Å; D186-C204 PolarHBondContact O-N 3.19Å
187	C	97.3	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.1	175.6	-171	0	0	0	0	107.7	S147 S160 S161 C166 G185	S147-C187 WeakPolarHBondContact CB-O 3.49Å; S147-C187 PolarHBondContact OG-O 2.9Å; S160-C187 WeakPolarHBondContact CB-SG 3.42Å; S161-C187 WeakPolarHBondContact O-CB 3.43Å; S161-C187 PolarHBondContact O-N 2.93Å; S161-C187 VanDerWaalsContact O-N 3.14Å; C166-C187 VanDerWaalsContact SG-SG 3.6Å; G185-C187 PolarHBondContact O-N 3.34Å
188	M	97.7	Very high	96.4	Very high	47 Å²	47	48 Å²	48	23%	0.232	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-34.6	-170.9	-68.3	-59.2	-73.7	0	0	113.2	Y145 S147 D186 G202 I229	Y145-M188 HydrophobicContact CE2-SD 4.5Å; S147-M188 WeakPolarHBondContact CB-O 3.41Å; D186-M188 HydrophobicContact CB-SD 4.38Å; D186-M188 PolarHBondContact O-N 3.37Å; M188-G202 PolarHBondContact N-O 2.77Å; M188-I229 WeakPolarHBondContact CB-O 3.19Å
189	S	96.3	Very high	96.5	Very high	12 Å²	12	46.3 Å²	46.3	8%	0.084	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.8	-178.9	62.8	0	0	0	0	112.4	S201 G202 N230 A231 I232	S189-S201 WeakPolarHBondContact O-CA 3.19Å; S189-G202 PolarHBondContact N-O 3.39Å; S189-G202 PolarHBondContact O-N 2.74Å; S189-N230 VanDerWaalsContact CB-O 3.31Å; S189-N230 WeakPolarHBondContact CB-O 3.37Å; S189-N230 PolarHBondContact OG-O 2.96Å; S189-A231 WeakPolarHBondContact OG-CA 3.33Å; S189-I232 WeakPolarHBondContact OG-CG2 3.45Å; S189-I232 PolarHBondContact OG-N 3Å
190	L	97.7	Very high	96.6	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.6	172.1	75.9	88	0	0	0	110.8	C148 R150 I158 V192 I200	C148-L190 HydrophobicContact CB-CD2 4.31Å; C148-L190 HydrophobicContact CB-CG 4.06Å; R150-L190 HydrophobicContact CB-CD1 3.74Å; R150-L190 HydrophobicContact CG-CD1 3.5Å; I158-L190 HydrophobicContact CG2-CD1 4.41Å; I158-L190 HydrophobicContact CG2-CD2 3.93Å; L190-V192 HydrophobicContact CD1-CG2 4.37Å; L190-I200 CarbonylContact C-O 3.46Å; L190-I200 WeakPolarHBondContact CA-O 3.3Å
191	A	97.6	Very high	96.6	Very high	14 Å²	14	41.8 Å²	41.8	12%	0.116	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.5	169.8	0	0	0	0	0	110.1	F199 I200 I232 F234	A191-F199 CarbonylContact O-C 3.56Å; A191-F199 VanDerWaalsContact O-CA 3.26Å; A191-F199 WeakPolarHBondContact O-CA 3.37Å; A191-F199 VanDerWaalsContact O-CB 3.3Å; A191-F199 WeakPolarHBondContact O-CB 3.39Å; A191-I200 HydrophobicContact CB-CG2 3.97Å; A191-I200 PolarHBondContact N-O 2.84Å; A191-I200 PolarHBondContact O-N 3.42Å; A191-I232 HydrophobicContact CB-CG2 4.17Å; A191-F234 HydrophobicContact CB-CD2 4.06Å; A191-F234 WeakPolarHBondContact O-CE2 3.5Å
192	V	97.6	Very high	96.7	Very high	27 Å²	27	38.5 Å²	38.5	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.7	178.5	179.6	0	0	0	0	109.2	R150 L152 L190 F196 F199 F234	R150-V192 HydrophobicContact CB-CG2 3.7Å; R150-V192 HydrophobicContact CG-CG2 4.34Å; L152-V192 HydrophobicContact CD2-CB 4.4Å; L152-V192 HydrophobicContact CD2-CG1 3.52Å; L152-V192 HydrophobicContact CD2-CG2 3.93Å; L190-V192 HydrophobicContact CD1-CG2 4.37Å; V192-F196 HydrophobicContact CG1-CB 4.48Å; V192-F196 HydrophobicContact CG1-CD1 3.69Å; V192-F196 HydrophobicContact CG1-CE1 4.26Å; V192-F196 HydrophobicContact CG1-CG 4.29Å; V192-F199 HydrophobicContact CG2-CB 4.42Å; V192-F234 VanDerWaalsContact C-CD2 3.43Å; V192-F234 VanDerWaalsContact C-CE2 3.5Å; V192-F234 VanDerWaalsContact O-CD2 3.27Å; V192-F234 WeakPolarHBondContact O-CD2 3.27Å
193	S	96.3	Very high	96.9	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	19%	0.192	C	C	.	.			trans	-64.9	151.9	176.6	64.2	0	0	0	0	111.2	D195 F196 K197 M198 F234	S193-D195 WeakPolarHBondContact CB-OD1 3.31Å; S193-D195 PolarHBondContact O-N 3.4Å; S193-D195 PolarHBondContact OG-OD1 2.72Å; S193-F196 PolarHBondContact O-N 3.33Å; S193-F196 PolarHBondContact OG-N 2.79Å; S193-K197 PolarHBondContact OG-N 2.82Å; S193-M198 WeakPolarHBondContact CB-O 3.48Å; S193-M198 PolarHBondContact N-O 2.71Å; S193-M198 PolarHBondContact OG-N 2.9Å; S193-M198 PolarHBondContact OG-O 2.89Å; S193-F234 VanDerWaalsContact N-CE2 3.29Å
194	P	92.9	Very high	96.9	Very high	70 Å²	70	37.5 Å²	37.5	46%	0.455	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.4	178.2	-26.8	35.3	0	0	0	114.7
195	D	93.5	Very high	97	Very high	75 Å²	75	31.6 Å²	31.6	40%	0.401	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	2.2	177.4	75.6	-18.1	0	0	0	114.1	S193 K197	S193-D195 WeakPolarHBondContact CB-OD1 3.31Å; S193-D195 PolarHBondContact O-N 3.4Å; S193-D195 PolarHBondContact OG-OD1 2.72Å; D195-K197 PolarHBondContact O-N 2.87Å; D195-K197 VanDerWaalsContact O-N 3.16Å; D195-K197 PolarHBondContact OD1-N 2.82Å; D195-K197 VanDerWaalsContact OD2-CD 3.3Å; D195-K197 WeakPolarHBondContact OD2-CD 3.2Å; D195-K197 IonicContact OD2-NZ 3.55Å
196	F	95.2	Very high	97	Very high	97 Å²	97	35.1 Å²	35.1	43%	0.425	18%	0.181	S	C	.	.	S	Bend	trans	57.8	20.3	179.6	-63.3	-92.1	0	0	0	115.3	L152 V192 S193 I213	L152-F196 HydrophobicContact CB-CD1 4.37Å; L152-F196 HydrophobicContact CD2-CD1 3.89Å; V192-F196 HydrophobicContact CG1-CB 4.48Å; V192-F196 HydrophobicContact CG1-CD1 3.69Å; V192-F196 HydrophobicContact CG1-CE1 4.26Å; V192-F196 HydrophobicContact CG1-CG 4.29Å; S193-F196 PolarHBondContact O-N 3.33Å; S193-F196 PolarHBondContact OG-N 2.79Å; F196-I213 WeakPolarHBondContact O-CD1 3.5Å
197	K	95.7	Very high	97	Very high	136 Å²	136	33.5 Å²	33.5	59%	0.591	17%	0.173	S	C	*	.	S	Bend	trans	-97	-25.8	178.6	-63.6	-176.4	-164.8	153.1	0	113.6	S193 D195 I213	S193-K197 PolarHBondContact OG-N 2.82Å; D195-K197 PolarHBondContact O-N 2.87Å; D195-K197 VanDerWaalsContact O-N 3.16Å; D195-K197 PolarHBondContact OD1-N 2.82Å; D195-K197 VanDerWaalsContact OD2-CD 3.3Å; D195-K197 WeakPolarHBondContact OD2-CD 3.2Å; D195-K197 IonicContact OD2-NZ 3.55Å; K197-I213 WeakPolarHBondContact O-CB 3.42Å; K197-I213 WeakPolarHBondContact O-CG1 3.42Å; K197-I213 PolarHBondContact O-N 2.89Å
198	M	97.2	Very high	97.1	Very high	46 Å²	46	33.5 Å²	33.5	23%	0.227	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.7	-177.8	-66.2	-176.9	-78	0	0	110	S193 L210 W211	S193-M198 WeakPolarHBondContact CB-O 3.48Å; S193-M198 PolarHBondContact N-O 2.71Å; S193-M198 PolarHBondContact OG-N 2.9Å; S193-M198 PolarHBondContact OG-O 2.89Å; M198-L210 HydrophobicContact CB-CD1 4.16Å; M198-L210 HydrophobicContact SD-CD1 4.33Å; M198-L210 HydrophobicContact SD-CD2 3.91Å; M198-L210 HydrophobicContact SD-CG 4.24Å; M198-W211 WeakPolarHBondContact CA-O 3.49Å; M198-W211 WeakPolarHBondContact CB-O 3.32Å
199	F	98.3	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.4	165	75.3	-84.2	0	0	0	109.6	I158 C166 F180 A191 V192 W211 I213	I158-F199 HydrophobicContact CD1-CB 4.26Å; I158-F199 HydrophobicContact CD1-CD1 3.76Å; I158-F199 HydrophobicContact CD1-CE1 4.3Å; I158-F199 HydrophobicContact CD1-CG 4.08Å; I158-F199 HydrophobicContact CG2-CD2 4.44Å; I158-F199 HydrophobicContact CG2-CE2 4.4Å; I158-F199 HydrophobicContact CG2-CZ 4.46Å; C166-F199 HydrophobicContact CB-CE2 3.89Å; C166-F199 HydrophobicContact CB-CZ 3.92Å; F180-F199 HydrophobicContact CB-CZ 4.07Å; F180-F199 AromaticContact CD1-CE1 3.85Å; F180-F199 HydrophobicContact CD1-CE1 3.85Å; F180-F199 AromaticContact CD1-CZ 3.97Å; F180-F199 HydrophobicContact CD1-CZ 3.97Å; F180-F199 AromaticContact CD2-CE1 3.84Å; F180-F199 HydrophobicContact CD2-CE1 3.84Å; F180-F199 AromaticContact CD2-CZ 3.69Å; F180-F199 HydrophobicContact CD2-CZ 3.69Å; F180-F199 AromaticContact CE1-CE1 3.73Å; F180-F199 HydrophobicContact CE1-CE1 3.73Å; F180-F199 HydrophobicContact CE1-CZ 4.32Å; F180-F199 AromaticContact CE2-CE1 3.75Å; F180-F199 HydrophobicContact CE2-CE1 3.75Å; F180-F199 HydrophobicContact CE2-CZ 4.08Å; F180-F199 AromaticContact CG-CE1 3.9Å; F180-F199 HydrophobicContact CG-CE1 3.9Å; F180-F199 AromaticContact CG-CZ 3.64Å; F180-F199 HydrophobicContact CG-CZ 3.64Å; F180-F199 AromaticContact CZ-CE1 3.7Å; F180-F199 HydrophobicContact CZ-CE1 3.7Å; F180-F199 HydrophobicContact CZ-CZ 4.39Å; A191-F199 CarbonylContact O-C 3.56Å; A191-F199 VanDerWaalsContact O-CA 3.26Å; A191-F199 WeakPolarHBondContact O-CA 3.37Å; A191-F199 VanDerWaalsContact O-CB 3.3Å; A191-F199 WeakPolarHBondContact O-CB 3.39Å; V192-F199 HydrophobicContact CG2-CB 4.42Å; F199-W211 HydrophobicContact CD1-CB 3.68Å; F199-W211 HydrophobicContact CD1-CG 4.4Å; F199-W211 HydrophobicContact CD2-CB 4.46Å; F199-W211 AromaticContact CD2-CD1 3.81Å; F199-W211 HydrophobicContact CD2-CG 4.42Å; F199-W211 HydrophobicContact CE1-CB 3.26Å; F199-W211 AromaticContact CE1-CG 3.78Å; F199-W211 HydrophobicContact CE1-CG 3.78Å; F199-W211 HydrophobicContact CE2-CB 4.1Å; F199-W211 AromaticContact CE2-CD1 3.26Å; F199-W211 AromaticContact CE2-CG 3.78Å; F199-W211 HydrophobicContact CE2-CG 3.78Å; F199-W211 AromaticContact CE2-NE1 3.89Å; F199-W211 HydrophobicContact CG-CB 4.28Å; F199-W211 HydrophobicContact CZ-CB 3.49Å; F199-W211 VanDerWaalsContact CZ-CB 3.49Å; F199-W211 AromaticContact CZ-CD1 3.42Å; F199-W211 VanDerWaalsContact CZ-CD1 3.42Å; F199-W211 HydrophobicContact CZ-CD2 4.18Å; F199-W211 AromaticContact CZ-CG 3.41Å; F199-W211 HydrophobicContact CZ-CG 3.41Å; F199-W211 VanDerWaalsContact CZ-CG 3.41Å; F199-W211 PolarHBondContact N-O 2.94Å; F199-W211 PolarHBondContact O-N 3.32Å; F199-I213 HydrophobicContact CD1-CD1 4.38Å; F199-I213 HydrophobicContact CD1-CG1 3.74Å; F199-I213 HydrophobicContact CE1-CG1 4.4Å
200	I	98.4	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.9	174.6	-167.3	86.7	0	0	0	108.5	L190 A191 A208 K209 L210 F222 I232 F234 V241	L190-I200 CarbonylContact C-O 3.46Å; L190-I200 WeakPolarHBondContact CA-O 3.3Å; A191-I200 HydrophobicContact CB-CG2 3.97Å; A191-I200 PolarHBondContact N-O 2.84Å; A191-I200 PolarHBondContact O-N 3.42Å; I200-A208 HydrophobicContact CD1-CB 4.46Å; I200-A208 HydrophobicContact CG1-CB 4.42Å; I200-K209 VanDerWaalsContact CA-O 3.31Å; I200-K209 WeakPolarHBondContact CA-O 3.47Å; I200-K209 WeakPolarHBondContact CD1-O 3.36Å; I200-L210 HydrophobicContact CD1-CB 3.82Å; I200-L210 HydrophobicContact CD1-CD1 4.12Å; I200-F222 HydrophobicContact CD1-CD2 4Å; I200-F222 HydrophobicContact CD1-CE2 3.87Å; I200-I232 HydrophobicContact CB-CD1 4.12Å; I200-I232 HydrophobicContact CG1-CD1 3.3Å; I200-I232 HydrophobicContact CG1-CG1 4.13Å; I200-I232 HydrophobicContact CG2-CD1 3.8Å; I200-I232 HydrophobicContact CG2-CG1 3.75Å; I200-I232 HydrophobicContact CG2-CG2 4.09Å; I200-F234 HydrophobicContact CB-CE2 4.01Å; I200-F234 HydrophobicContact CB-CZ 4.1Å; I200-F234 HydrophobicContact CG2-CD2 4.02Å; I200-F234 HydrophobicContact CG2-CE2 3.61Å; I200-F234 HydrophobicContact CG2-CZ 4.13Å; I200-V241 HydrophobicContact CB-CG2 4.49Å; I200-V241 HydrophobicContact CD1-CG1 4.3Å; I200-V241 HydrophobicContact CD1-CG2 4.21Å; I200-V241 HydrophobicContact CG1-CG1 3.86Å; I200-V241 HydrophobicContact CG1-CG2 4.3Å; I200-V241 HydrophobicContact CG2-CG1 4.21Å
201	S	98.4	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.2	173.1	56.2	0	0	0	0	111.1	H183 S189 A208 K209 W211	H183-S201 PolarHBondContact CD2-OG 3.03Å; H183-S201 PolarHBondContact NE2-OG 2.73Å; S189-S201 WeakPolarHBondContact O-CA 3.19Å; S201-A208 CarbonylContact O-C 3.52Å; S201-A208 WeakPolarHBondContact O-CA 3.29Å; S201-K209 PolarHBondContact N-O 2.99Å; S201-K209 PolarHBondContact O-N 3.02Å; S201-W211 PolarHBondContact OG-NE1 2.87Å
202	G	98.2	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.9	171.8	0	0	0	0	0	110.6	M188 S189	M188-G202 PolarHBondContact N-O 2.77Å; S189-G202 PolarHBondContact N-O 3.39Å; S189-G202 PolarHBondContact O-N 2.74Å
203	A	98.3	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	171.4	-171.9	0	0	0	0	0	113.7	H183 D186 D205 F206 T207 I229	H183-A203 HydrophobicContact CB-CB 4.23Å; H183-A203 VanDerWaalsContact ND1-CB 3.32Å; H183-A203 WeakPolarHBondContact ND1-CB 3.39Å; D186-A203 CarbonylContact O-C 3.57Å; D186-A203 WeakPolarHBondContact O-CA 3.26Å; D186-A203 VanDerWaalsContact O-CB 3.31Å; D186-A203 WeakPolarHBondContact O-CB 3.18Å; A203-D205 PolarHBondContact O-N 3.1Å; A203-F206 PolarHBondContact O-N 3.46Å; A203-T207 PolarHBondContact N-O 3.06Å; A203-I229 PolarHBondContact O-N 2.86Å; A203-I229 VanDerWaalsContact O-N 3.14Å
204	C	98.3	Very high	97.1	Very high	31 Å²	31	43.2 Å²	43.2	21%	0.209	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	4.3	172.8	-62.4	0	0	0	0	113.8	D186 F206 D228	D186-C204 HydrophobicContact CB-CB 4.39Å; D186-C204 PolarHBondContact O-N 3.19Å; C204-F206 WeakPolarHBondContact O-CD1 2.98Å; C204-F206 WeakPolarHBondContact O-CE1 3.41Å; C204-D228 WeakPolarHBondContact CA-OD1 3.29Å; C204-D228 HydrophobicContact CB-CB 4.45Å; C204-D228 WeakPolarHBondContact CB-OD1 3.37Å; C204-D228 PolarHBondContact SG-OD2 3.47Å
205	D	97.4	Very high	97.2	Very high	33 Å²	33	44.9 Å²	44.9	18%	0.176	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	9	167.4	65.1	17.2	0	0	0	112.9	H183 L184 A203 T207	H183-D205 VanDerWaalsContact CA-OD2 3.28Å; H183-D205 WeakPolarHBondContact CA-OD2 3.37Å; H183-D205 WeakPolarHBondContact CB-OD2 3.29Å; H183-D205 IonicContact CE1-OD1 3.48Å; H183-D205 IonicContact CG-OD2 3.43Å; H183-D205 IonicContact ND1-OD1 2.77Å; H183-D205 PolarHBondContact ND1-OD1 3.39Å; H183-D205 IonicContact ND1-OD2 2.9Å; H183-D205 PolarHBondContact ND1-OD2 3.27Å; L184-D205 HydrophobicContact CB-CB 4.09Å; L184-D205 PolarHBondContact N-OD2 3.26Å; A203-D205 PolarHBondContact O-N 3.1Å; D205-T207 VanDerWaalsContact CG-OG1 3.26Å; D205-T207 PolarHBondContact O-N 3.14Å; D205-T207 WeakPolarHBondContact OD1-CA 3.35Å; D205-T207 WeakPolarHBondContact OD1-CB 3.38Å; D205-T207 PolarHBondContact OD1-N 3.26Å; D205-T207 PolarHBondContact OD1-OG1 2.91Å; D205-T207 PolarHBondContact OD2-OG1 3.03Å
206	F	97.7	Very high	97.3	Very high	85 Å²	85	43.4 Å²	43.4	37%	0.373	20%	0.202	S	C	.	.	S	Bend	trans	64.7	15.1	-179.4	-39.8	-27.9	0	0	0	113.6	A203 C204 S227 D228	A203-F206 PolarHBondContact O-N 3.46Å; C204-F206 WeakPolarHBondContact O-CD1 2.98Å; C204-F206 WeakPolarHBondContact O-CE1 3.41Å; F206-S227 WeakPolarHBondContact CD1-O 3.24Å; F206-D228 VanDerWaalsContact CE1-OD1 3.28Å; F206-D228 WeakPolarHBondContact CE1-OD1 3.37Å
207	T	97.8	Very high	97.2	Very high	24 Å²	24	41.7 Å²	41.7	15%	0.147	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149	179.2	73.7	0	0	0	0	112.5	H183 A203 D205 T221 F222 I229	H183-T207 PolarHBondContact CE1-O 3.32Å; A203-T207 PolarHBondContact N-O 3.06Å; D205-T207 VanDerWaalsContact CG-OG1 3.26Å; D205-T207 PolarHBondContact O-N 3.14Å; D205-T207 WeakPolarHBondContact OD1-CA 3.35Å; D205-T207 WeakPolarHBondContact OD1-CB 3.38Å; D205-T207 PolarHBondContact OD1-N 3.26Å; D205-T207 PolarHBondContact OD1-OG1 2.91Å; D205-T207 PolarHBondContact OD2-OG1 3.03Å; T207-T221 HydrophobicContact CG2-CG2 4.02Å; T207-F222 WeakPolarHBondContact CA-O 3.5Å; T207-I229 VanDerWaalsContact C-CD1 3.46Å
208	A	98.3	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.4	165.3	0	0	0	0	0	109.9	I200 S201 T221 F222 I229 I232 T243	I200-A208 HydrophobicContact CD1-CB 4.46Å; I200-A208 HydrophobicContact CG1-CB 4.42Å; S201-A208 CarbonylContact O-C 3.52Å; S201-A208 WeakPolarHBondContact O-CA 3.29Å; A208-T221 CarbonylContact O-C 3.52Å; A208-T221 WeakPolarHBondContact O-CA 3.17Å; A208-F222 HydrophobicContact CB-CB 4.29Å; A208-F222 HydrophobicContact CB-CD2 4.42Å; A208-F222 PolarHBondContact N-O 2.97Å; A208-F222 PolarHBondContact O-N 2.94Å; A208-I229 HydrophobicContact CB-CD1 4.13Å; A208-I232 HydrophobicContact CB-CD1 3.67Å; A208-T243 HydrophobicContact CB-CG2 4.02Å
209	K	98.4	Very high	97.3	Very high	27 Å²	27	40.9 Å²	40.9	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133	-177.5	-69.5	180	-174.1	-76.9	0	111.5	G182 I200 S201 W211 Q220 T221	G182-K209 WeakPolarHBondContact O-CE 3.29Å; I200-K209 VanDerWaalsContact CA-O 3.31Å; I200-K209 WeakPolarHBondContact CA-O 3.47Å; I200-K209 WeakPolarHBondContact CD1-O 3.36Å; S201-K209 PolarHBondContact N-O 2.99Å; S201-K209 PolarHBondContact O-N 3.02Å; K209-W211 HydrophobicContact CB-CZ2 3.77Å; K209-W211 HydrophobicContact CD-CH2 4.22Å; K209-W211 HydrophobicContact CD-CZ2 3.64Å; K209-W211 HydrophobicContact CG-CZ2 4.34Å; K209-W211 PolarHBondContact O-NE1 3.43Å; K209-Q220 WeakPolarHBondContact CA-O 3.17Å; K209-T221 HydrophobicContact CG-CG2 4.15Å; K209-T221 PolarHBondContact NZ-OG1 2.8Å
210	L	98.5	Very high	97.3	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.3	174.6	-175	74.2	0	0	0	109.6	M198 I200 C218 R219 Q220 F222 F234 L255	M198-L210 HydrophobicContact CB-CD1 4.16Å; M198-L210 HydrophobicContact SD-CD1 4.33Å; M198-L210 HydrophobicContact SD-CD2 3.91Å; M198-L210 HydrophobicContact SD-CG 4.24Å; I200-L210 HydrophobicContact CD1-CB 3.82Å; I200-L210 HydrophobicContact CD1-CD1 4.12Å; L210-C218 CarbonylContact O-C 3.6Å; L210-C218 WeakPolarHBondContact O-CA 3.26Å; L210-R219 HydrophobicContact CD2-CB 4.24Å; L210-R219 PolarHBondContact O-N 2.92Å; L210-Q220 HydrophobicContact CB-CB 4.16Å; L210-Q220 PolarHBondContact N-O 3.08Å; L210-F222 HydrophobicContact CB-CE2 4.25Å; L210-F234 HydrophobicContact CD1-CE1 4.39Å; L210-F234 HydrophobicContact CD1-CZ 3.95Å; L210-L255 HydrophobicContact CD1-CD2 4.36Å; L210-L255 HydrophobicContact CD2-CD1 4.26Å; L210-L255 HydrophobicContact CD2-CD2 4.02Å
211	W	98.4	Very high	97.2	Very high	4 Å²	4	45 Å²	45	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.6	-175.4	-54.7	92.6	0	0	0	110.7	F180 M198 F199 S201 K209 T217 C218	F180-W211 HydrophobicContact CB-CD2 4.08Å; F180-W211 HydrophobicContact CB-CE3 3.84Å; F180-W211 HydrophobicContact CB-CH2 4.38Å; F180-W211 HydrophobicContact CB-CZ3 3.98Å; F180-W211 HydrophobicContact CD1-CB 4.12Å; F180-W211 HydrophobicContact CD1-CD2 4.2Å; F180-W211 AromaticContact CD1-CE3 3.8Å; F180-W211 HydrophobicContact CD1-CE3 3.8Å; F180-W211 HydrophobicContact CD1-CG 4.36Å; F180-W211 HydrophobicContact CE1-CB 4.39Å; F180-W211 HydrophobicContact CG-CD2 4.49Å; F180-W211 HydrophobicContact CG-CE3 4.28Å; M198-W211 WeakPolarHBondContact CA-O 3.49Å; M198-W211 WeakPolarHBondContact CB-O 3.32Å; F199-W211 HydrophobicContact CD1-CB 3.68Å; F199-W211 HydrophobicContact CD1-CG 4.4Å; F199-W211 HydrophobicContact CD2-CB 4.46Å; F199-W211 AromaticContact CD2-CD1 3.81Å; F199-W211 HydrophobicContact CD2-CG 4.42Å; F199-W211 HydrophobicContact CE1-CB 3.26Å; F199-W211 AromaticContact CE1-CG 3.78Å; F199-W211 HydrophobicContact CE1-CG 3.78Å; F199-W211 HydrophobicContact CE2-CB 4.1Å; F199-W211 AromaticContact CE2-CD1 3.26Å; F199-W211 AromaticContact CE2-CG 3.78Å; F199-W211 HydrophobicContact CE2-CG 3.78Å; F199-W211 AromaticContact CE2-NE1 3.89Å; F199-W211 HydrophobicContact CG-CB 4.28Å; F199-W211 HydrophobicContact CZ-CB 3.49Å; F199-W211 VanDerWaalsContact CZ-CB 3.49Å; F199-W211 AromaticContact CZ-CD1 3.42Å; F199-W211 VanDerWaalsContact CZ-CD1 3.42Å; F199-W211 HydrophobicContact CZ-CD2 4.18Å; F199-W211 AromaticContact CZ-CG 3.41Å; F199-W211 HydrophobicContact CZ-CG 3.41Å; F199-W211 VanDerWaalsContact CZ-CG 3.41Å; F199-W211 PolarHBondContact N-O 2.94Å; F199-W211 PolarHBondContact O-N 3.32Å; S201-W211 PolarHBondContact OG-NE1 2.87Å; K209-W211 HydrophobicContact CB-CZ2 3.77Å; K209-W211 HydrophobicContact CD-CH2 4.22Å; K209-W211 HydrophobicContact CD-CZ2 3.64Å; K209-W211 HydrophobicContact CG-CZ2 4.34Å; K209-W211 PolarHBondContact O-NE1 3.43Å; W211-T217 WeakPolarHBondContact CA-O 3.31Å; W211-C218 HydrophobicContact CD2-CB 4.33Å; W211-C218 HydrophobicContact CE3-CB 3.69Å; W211-C218 HydrophobicContact CH2-CB 3.95Å; W211-C218 HydrophobicContact CZ3-CB 3.5Å; W211-C218 VanDerWaalsContact CZ3-CB 3.5Å
212	D	97.6	Very high	97.2	Very high	22 Å²	22	45 Å²	45	12%	0.118	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.2	168.1	-169.9	-55	0	0	0	109.3	R214 E215 A216 T217 R219	D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 3.22Å; D212-R214 PolarHBondContact OD1-N 2.78Å; D212-E215 HydrophobicContact CB-CB 4.06Å; D212-E215 PolarHBondContact OD1-N 3.09Å; D212-A216 PolarHBondContact O-N 3.33Å; D212-T217 PolarHBondContact N-O 2.62Å; D212-R219 HydrophobicContact CB-CG 4.07Å; D212-R219 IonicContact OD2-CZ 3.23Å; D212-R219 IonicContact OD2-NE 2.7Å; D212-R219 PolarHBondContact OD2-NE 3.47Å; D212-R219 IonicContact OD2-NH2 3.38Å; D212-R219 PolarHBondContact OD2-NH2 2.96Å
213	I	96.3	Very high	97.1	Very high	18 Å²	18	48.2 Å²	48.2	9%	0.092	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.6	-174.6	-65.7	168.9	0	0	0	110.8	L152 I158 L168 F196 K197 F199	L152-I213 HydrophobicContact CD1-CD1 4.05Å; L152-I213 HydrophobicContact CD1-CG2 4.09Å; L152-I213 HydrophobicContact CD2-CD1 3.87Å; I158-I213 HydrophobicContact CD1-CD1 3.75Å; I158-I213 HydrophobicContact CD1-CG1 4Å; L168-I213 HydrophobicContact CD2-CG2 3.95Å; F196-I213 WeakPolarHBondContact O-CD1 3.5Å; K197-I213 WeakPolarHBondContact O-CB 3.42Å; K197-I213 WeakPolarHBondContact O-CG1 3.42Å; K197-I213 PolarHBondContact O-N 2.89Å; F199-I213 HydrophobicContact CD1-CD1 4.38Å; F199-I213 HydrophobicContact CD1-CG1 3.74Å; F199-I213 HydrophobicContact CE1-CG1 4.4Å
214	R	95.3	Very high	96.9	Very high	235 Å²	235	50 Å²	50	89%	0.887	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-41.2	-175.5	-177.4	-180	177.5	-174.9	-0.9	111.8	D212 A216	D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 3.22Å; D212-R214 PolarHBondContact OD1-N 2.78Å; R214-A216 VanDerWaalsContact C-N 3.32Å
215	E	95.1	Very high	96.9	Very high	106 Å²	106	49.2 Å²	49.2	50%	0.495	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.8	-179.3	-68.7	-173.4	-162.4	0	0	113.2	D212 T217 R219	D212-E215 HydrophobicContact CB-CB 4.06Å; D212-E215 PolarHBondContact OD1-N 3.09Å; E215-T217 PolarHBondContact O-N 2.95Å; E215-R219 IonicContact OE1-CZ 2.89Å; E215-R219 IonicContact OE1-NH1 3.98Å; E215-R219 IonicContact OE1-NH2 3.5Å; E215-R219 PolarHBondContact OE1-NH2 3.27Å; E215-R219 IonicContact OE2-CZ 2.7Å; E215-R219 IonicContact OE2-NE 3.63Å; E215-R219 IonicContact OE2-NH1 3.92Å; E215-R219 PolarHBondContact OE2-NH1 2.52Å; E215-R219 IonicContact OE2-NH2 2.79Å; E215-R219 PolarHBondContact OE2-NH2 3.47Å
216	A	93.9	Very high	96.9	Very high	43 Å²	43	55.6 Å²	55.6	36%	0.355	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	29.5	-178.3	0	0	0	0	0	113.7	T178 D212 R214	T178-A216 HydrophobicContact CG2-CB 3.32Å; D212-A216 PolarHBondContact O-N 3.33Å; R214-A216 VanDerWaalsContact C-N 3.32Å
217	T	94.2	Very high	96.9	Very high	61 Å²	61	53.2 Å²	53.2	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147	-175.1	55.8	0	0	0	0	112.6	W211 D212 E215 R219	W211-T217 WeakPolarHBondContact CA-O 3.31Å; D212-T217 PolarHBondContact N-O 2.62Å; E215-T217 PolarHBondContact O-N 2.95Å; T217-R219 PolarHBondContact O-N 3.31Å
218	C	97.4	Very high	96.9	Very high	51 Å²	51	54.2 Å²	54.2	35%	0.345	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	116.7	166.6	-176.6	0	0	0	0	108.6	L210 W211 Q220	L210-C218 CarbonylContact O-C 3.6Å; L210-C218 WeakPolarHBondContact O-CA 3.26Å; W211-C218 HydrophobicContact CD2-CB 4.33Å; W211-C218 HydrophobicContact CE3-CB 3.69Å; W211-C218 HydrophobicContact CH2-CB 3.95Å; W211-C218 HydrophobicContact CZ3-CB 3.5Å; W211-C218 VanDerWaalsContact CZ3-CB 3.5Å; C218-Q220 PolarHBondContact SG-O 2.89Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å
219	R	97.4	Very high	96.9	Very high	115 Å²	115	54.3 Å²	54.3	43%	0.434	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-42.9	177.3	-65.1	-65.5	-157.1	177.8	4.1	112.1	L210 D212 E215 T217	L210-R219 HydrophobicContact CD2-CB 4.24Å; L210-R219 PolarHBondContact O-N 2.92Å; D212-R219 HydrophobicContact CB-CG 4.07Å; D212-R219 IonicContact OD2-CZ 3.23Å; D212-R219 IonicContact OD2-NE 2.7Å; D212-R219 PolarHBondContact OD2-NE 3.47Å; D212-R219 IonicContact OD2-NH2 3.38Å; D212-R219 PolarHBondContact OD2-NH2 2.96Å; E215-R219 IonicContact OE1-CZ 2.89Å; E215-R219 IonicContact OE1-NH1 3.98Å; E215-R219 IonicContact OE1-NH2 3.5Å; E215-R219 PolarHBondContact OE1-NH2 3.27Å; E215-R219 IonicContact OE2-CZ 2.7Å; E215-R219 IonicContact OE2-NE 3.63Å; E215-R219 IonicContact OE2-NH1 3.92Å; E215-R219 PolarHBondContact OE2-NH1 2.52Å; E215-R219 IonicContact OE2-NH2 2.79Å; E215-R219 PolarHBondContact OE2-NH2 3.47Å; T217-R219 PolarHBondContact O-N 3.31Å
220	Q	97.6	Very high	96.9	Very high	40 Å²	40	54.3 Å²	54.3	19%	0.187	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.7	-173.1	-68.1	177.7	-51.7	0	0	111	K209 L210 C218 F222 L255 D258	K209-Q220 WeakPolarHBondContact CA-O 3.17Å; L210-Q220 HydrophobicContact CB-CB 4.16Å; L210-Q220 PolarHBondContact N-O 3.08Å; C218-Q220 PolarHBondContact SG-O 2.89Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å; Q220-F222 HydrophobicContact CB-CE2 4.14Å; Q220-F222 HydrophobicContact CB-CZ 3.94Å; Q220-L255 PolarHBondContact NE2-O 2.73Å; Q220-L255 PolarHBondContact OE1-O 2.51Å; Q220-D258 WeakPolarHBondContact CG-OD1 3.42Å; Q220-D258 PolarHBondContact NE2-OD1 2.85Å
221	T	97.9	Very high	96.9	Very high	45 Å²	45	54.3 Å²	54.3	28%	0.276	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.4	170.5	-62.2	0	0	0	0	108.8	R22 T207 A208 K209	R22-T221 PolarHBondContact NH2-O 3.31Å; T207-T221 HydrophobicContact CG2-CG2 4.02Å; A208-T221 CarbonylContact O-C 3.52Å; A208-T221 WeakPolarHBondContact O-CA 3.17Å; K209-T221 HydrophobicContact CG-CG2 4.15Å; K209-T221 PolarHBondContact NZ-OG1 2.8Å
222	F	97.8	Very high	96.8	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.6	175.3	-54.1	-74.5	0	0	0	109	I200 T207 A208 L210 Q220 Y253 L255	I200-F222 HydrophobicContact CD1-CD2 4Å; I200-F222 HydrophobicContact CD1-CE2 3.87Å; T207-F222 WeakPolarHBondContact CA-O 3.5Å; A208-F222 HydrophobicContact CB-CB 4.29Å; A208-F222 HydrophobicContact CB-CD2 4.42Å; A208-F222 PolarHBondContact N-O 2.97Å; A208-F222 PolarHBondContact O-N 2.94Å; L210-F222 HydrophobicContact CB-CE2 4.25Å; Q220-F222 HydrophobicContact CB-CE2 4.14Å; Q220-F222 HydrophobicContact CB-CZ 3.94Å; F222-Y253 HydrophobicContact CB-CD1 3.88Å; F222-Y253 HydrophobicContact CB-CD2 4.48Å; F222-Y253 HydrophobicContact CB-CE1 3.96Å; F222-Y253 HydrophobicContact CB-CG 4.17Å; F222-Y253 AromaticContact CD1-CD1 3.77Å; F222-Y253 HydrophobicContact CD1-CD1 3.77Å; F222-Y253 HydrophobicContact CD1-CG 4.06Å; F222-Y253 HydrophobicContact CG-CD1 4.08Å; F222-Y253 HydrophobicContact CG-CG 4.15Å; F222-L255 HydrophobicContact CE2-CD2 3.88Å; F222-L255 HydrophobicContact CZ-CD2 3.52Å
223	S	95.6	Very high	96.8	Very high	67 Å²	67	54.3 Å²	54.3	47%	0.469	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.9	174.7	56.9	0	0	0	0	108.9	Y253	S223-Y253 PolarHBondContact O-OH 3.29Å
224	G	94.7	Very high	96.8	Very high	39 Å²	39	54.3 Å²	54.3	40%	0.402	29%	0.286	S	S	.	.			trans	149.8	-16.6	176.4	0	0	0	0	0	114.2	K251	G224-K251 VanDerWaalsContact O-CE 3.25Å; G224-K251 WeakPolarHBondContact O-CE 3.43Å
225	H	97.7	Very high	96.9	Very high	13 Å²	13	45 Å²	45	6%	0.06	25%	0.252	C	S	.	.			trans	-74.5	151.7	168	-81.2	-64.5	0	0	0	111.6	I229 T243 S245 D247 T249	H225-I229 HydrophobicContact CB-CD1 4.49Å; H225-I229 HydrophobicContact CB-CG1 4.25Å; H225-T243 WeakPolarHBondContact NE2-CB 3.36Å; H225-T243 PolarHBondContact NE2-OG1 2.92Å; H225-S245 VanDerWaalsContact CE1-CB 3.43Å; H225-S245 WeakPolarHBondContact CE1-CB 3.45Å; H225-S245 WeakPolarHBondContact ND1-CB 3.44Å; H225-D247 WeakPolarHBondContact CA-OD2 3.4Å; H225-D247 WeakPolarHBondContact CB-OD2 3.24Å; H225-D247 IonicContact CE1-OD1 2.72Å; H225-D247 IonicContact CE1-OD2 2.86Å; H225-D247 IonicContact CG-OD2 3.96Å; H225-D247 IonicContact ND1-OD1 3.35Å; H225-D247 PolarHBondContact ND1-OD1 3.34Å; H225-D247 IonicContact ND1-OD2 3.54Å; H225-D247 PolarHBondContact ND1-OD2 3.35Å; H225-T249 PolarHBondContact CE1-OG1 2.96Å; H225-T249 VanDerWaalsContact CE1-OG1 3.3Å; H225-T249 PolarHBondContact ND1-OG1 2.93Å
226	E	97.4	Very high	96.9	Very high	167 Å²	167	42.4 Å²	42.4	78%	0.78	24%	0.244	S	C	*	.	S	Bend	trans	-101.3	-4.9	178.7	-61.6	-174.8	175.9	0	0	112.6	D247	E226-D247 HydrophobicContact CB-CB 4.15Å; E226-D247 PolarHBondContact N-OD2 3.44Å
227	S	97.9	Very high	96.9	Very high	35 Å²	35	44.8 Å²	44.8	25%	0.245	25%	0.251	C	S	.	.	S	Bend	trans	-149.8	-173.1	179.8	-158	0	0	0	0	111.8	F206 S245	F206-S227 WeakPolarHBondContact CD1-O 3.24Å; S227-S245 VanDerWaalsContact C-OG 3.3Å; S227-S245 PolarHBondContact O-OG 2.92Å; S227-S245 VanDerWaalsContact O-OG 3.1Å
228	D	98.2	Very high	96.9	Very high	46 Å²	46	42.4 Å²	42.4	25%	0.246	24%	0.239	C	C	.	.			trans	-57.7	137.7	-173	-66.7	-8.7	0	0	0	111.8	C204 F206 N230 S245 D246	C204-D228 WeakPolarHBondContact CA-OD1 3.29Å; C204-D228 HydrophobicContact CB-CB 4.45Å; C204-D228 WeakPolarHBondContact CB-OD1 3.37Å; C204-D228 PolarHBondContact SG-OD2 3.47Å; F206-D228 VanDerWaalsContact CE1-OD1 3.28Å; F206-D228 WeakPolarHBondContact CE1-OD1 3.37Å; D228-N230 PolarHBondContact O-N 2.73Å; D228-S245 CarbonylContact O-C 3.5Å; D228-S245 WeakPolarHBondContact O-CA 3.44Å; D228-S245 WeakPolarHBondContact O-CB 3.34Å; D228-S245 PolarHBondContact O-OG 2.96Å; D228-D246 PolarHBondContact O-N 3.39Å
229	I	98.6	Very high	96.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	98.1	174.4	-57	-178	0	0	0	109	M188 A203 T207 A208 H225 T243	M188-I229 WeakPolarHBondContact CB-O 3.19Å; A203-I229 PolarHBondContact O-N 2.86Å; A203-I229 VanDerWaalsContact O-N 3.14Å; T207-I229 VanDerWaalsContact C-CD1 3.46Å; A208-I229 HydrophobicContact CB-CD1 4.13Å; H225-I229 HydrophobicContact CB-CD1 4.49Å; H225-I229 HydrophobicContact CB-CG1 4.25Å; I229-T243 HydrophobicContact CG2-CG2 4.18Å
230	N	98.1	Very high	96.9	Very high	27 Å²	27	38.3 Å²	38.3	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-32.1	-177.3	-69.6	-43.6	0	0	0	113.7	S189 D228 G244 D246 V273	S189-N230 VanDerWaalsContact CB-O 3.31Å; S189-N230 WeakPolarHBondContact CB-O 3.37Å; S189-N230 PolarHBondContact OG-O 2.96Å; D228-N230 PolarHBondContact O-N 2.73Å; N230-G244 PolarHBondContact N-O 2.92Å; N230-D246 PolarHBondContact ND2-OD1 3Å; N230-D246 PolarHBondContact ND2-OD2 3.29Å; N230-V273 VanDerWaalsContact CB-O 3.29Å; N230-V273 WeakPolarHBondContact CB-O 3.37Å; N230-V273 PolarHBondContact ND2-O 3.38Å
231	A	97.4	Very high	96.9	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.4	-173.4	0	0	0	0	0	111.8	S189 T243 G244 L276	S189-A231 WeakPolarHBondContact OG-CA 3.33Å; A231-T243 CarbonylContact O-C 3.56Å; A231-T243 WeakPolarHBondContact O-CA 3.43Å; A231-G244 PolarHBondContact N-O 3.33Å; A231-G244 VanDerWaalsContact N-O 3.14Å; A231-G244 PolarHBondContact O-N 3.31Å; A231-L276 HydrophobicContact CB-CB 4.33Å; A231-L276 HydrophobicContact CB-CD1 3.9Å; A231-L276 HydrophobicContact CB-CG 3.8Å
232	I	97.8	Very high	96.9	Very high	16 Å²	16	34.2 Å²	34.2	8%	0.082	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	148.4	177.8	-153.9	159.1	0	0	0	111.3	S189 A191 I200 A208 V241 I242 T243	S189-I232 WeakPolarHBondContact OG-CG2 3.45Å; S189-I232 PolarHBondContact OG-N 3Å; A191-I232 HydrophobicContact CB-CG2 4.17Å; I200-I232 HydrophobicContact CB-CD1 4.12Å; I200-I232 HydrophobicContact CG1-CD1 3.3Å; I200-I232 HydrophobicContact CG1-CG1 4.13Å; I200-I232 HydrophobicContact CG2-CD1 3.8Å; I200-I232 HydrophobicContact CG2-CG1 3.75Å; I200-I232 HydrophobicContact CG2-CG2 4.09Å; A208-I232 HydrophobicContact CB-CD1 3.67Å; I232-V241 HydrophobicContact CD1-CG1 4.05Å; I232-V241 HydrophobicContact CG1-CG1 3.82Å; I232-I242 CarbonylContact C-O 3.51Å; I232-I242 WeakPolarHBondContact CA-O 3.16Å; I232-I242 WeakPolarHBondContact CG1-O 3.45Å; I232-T243 HydrophobicContact CD1-CG2 3.78Å; I232-T243 HydrophobicContact CG1-CG2 3.82Å
233	G	96.6	Very high	97	Very high	9 Å²	9	34.2 Å²	34.2	9%	0.093	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.1	178	0	0	0	0	0	112.3	I242	G233-I242 PolarHBondContact N-O 3.27Å; G233-I242 PolarHBondContact O-N 3.25Å
234	F	97.6	Very high	97.1	Very high	18 Å²	18	31 Å²	31	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.1	168.7	-85.4	-84.7	0	0	0	110.7	A191 V192 S193 I200 L210 V241 L255	A191-F234 HydrophobicContact CB-CD2 4.06Å; A191-F234 WeakPolarHBondContact O-CE2 3.5Å; V192-F234 VanDerWaalsContact C-CD2 3.43Å; V192-F234 VanDerWaalsContact C-CE2 3.5Å; V192-F234 VanDerWaalsContact O-CD2 3.27Å; V192-F234 WeakPolarHBondContact O-CD2 3.27Å; S193-F234 VanDerWaalsContact N-CE2 3.29Å; I200-F234 HydrophobicContact CB-CE2 4.01Å; I200-F234 HydrophobicContact CB-CZ 4.1Å; I200-F234 HydrophobicContact CG2-CD2 4.02Å; I200-F234 HydrophobicContact CG2-CE2 3.61Å; I200-F234 HydrophobicContact CG2-CZ 4.13Å; L210-F234 HydrophobicContact CD1-CE1 4.39Å; L210-F234 HydrophobicContact CD1-CZ 3.95Å; F234-V241 HydrophobicContact CD1-CG2 4.15Å; F234-V241 HydrophobicContact CE1-CG2 4.01Å; F234-L255 HydrophobicContact CE1-CD1 4.32Å
235	F	96.7	Very high	97.3	Very high	41 Å²	41	29.1 Å²	29.1	18%	0.18	16%	0.159	C	C	.	.			trans	-64.9	146.7	161.3	-169.5	-92.1	0	0	0	109.4	N237 G238 A240 G282 M299	F235-N237 HydrophobicContact CD1-CB 4.14Å; F235-N237 VanDerWaalsContact CD1-CG 3.46Å; F235-N237 VanDerWaalsContact CD1-OD1 3.29Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.19Å; F235-N237 HydrophobicContact CE1-CB 4.38Å; F235-N237 PolarHBondContact O-N 3Å; F235-G238 PolarHBondContact O-N 2.77Å; F235-A240 HydrophobicContact CB-CB 3.76Å; F235-A240 WeakPolarHBondContact CB-O 3.4Å; F235-A240 HydrophobicContact CG-CB 4.32Å; F235-A240 PolarHBondContact N-O 3.06Å; F235-G282 WeakPolarHBondContact CE2-O 3.44Å; F235-M299 HydrophobicContact CD2-CE 4.33Å
236	P	94.1	Very high	97.3	Very high	51 Å²	51	31.4 Å²	31.4	33%	0.331	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.2	-172	-31	36.5	0	0	0	116.3	S279 L280	P236-S279 WeakPolarHBondContact CG-O 3.1Å; P236-L280 WeakPolarHBondContact CG-O 3.18Å
237	N	94.3	Very high	97.3	Very high	93 Å²	93	25 Å²	25	50%	0.497	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.4	177.6	74.1	6.6	0	0	0	114.6	F235 N239	F235-N237 HydrophobicContact CD1-CB 4.14Å; F235-N237 VanDerWaalsContact CD1-CG 3.46Å; F235-N237 VanDerWaalsContact CD1-OD1 3.29Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.19Å; F235-N237 HydrophobicContact CE1-CB 4.38Å; F235-N237 PolarHBondContact O-N 3Å; N237-N239 VanDerWaalsContact C-N 3.3Å; N237-N239 PolarHBondContact O-N 3.35Å; N237-N239 WeakPolarHBondContact OD1-CB 3.46Å; N237-N239 PolarHBondContact OD1-N 3.43Å
238	G	95.4	Very high	97.3	Very high	11 Å²	11	23.9 Å²	23.9	11%	0.113	14%	0.135	C	C	.	.	S	Bend	trans	78.4	-2.3	-179.4	0	0	0	0	0	116.4	F235 L255	F235-G238 PolarHBondContact O-N 2.77Å; G238-L255 WeakPolarHBondContact O-CD1 3.36Å
239	N	96.8	Very high	97.3	Very high	72 Å²	72	22.3 Å²	22.3	39%	0.385	13%	0.127	S	C	.	.	S	Bend	trans	-97.3	-3.6	-176	-65.1	-40.2	0	0	0	114.1	N237 L255	N237-N239 VanDerWaalsContact C-N 3.3Å; N237-N239 PolarHBondContact O-N 3.35Å; N237-N239 WeakPolarHBondContact OD1-CB 3.46Å; N237-N239 PolarHBondContact OD1-N 3.43Å; N239-L255 WeakPolarHBondContact O-CG 3.08Å; N239-L255 PolarHBondContact O-N 3.2Å
240	A	97.3	Very high	97.3	Very high	7 Å²	7	22.2 Å²	22.2	6%	0.058	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.7	179.6	0	0	0	0	0	110.9	F235 L252 Y253	F235-A240 HydrophobicContact CB-CB 3.76Å; F235-A240 WeakPolarHBondContact CB-O 3.4Å; F235-A240 HydrophobicContact CG-CB 4.32Å; F235-A240 PolarHBondContact N-O 3.06Å; A240-L252 HydrophobicContact CB-CD1 3.82Å; A240-Y253 CarbonylContact C-O 3.51Å; A240-Y253 WeakPolarHBondContact CA-O 3.47Å; A240-Y253 VanDerWaalsContact CB-O 3.23Å; A240-Y253 WeakPolarHBondContact CB-O 3.36Å
241	V	97.8	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.5	-174.7	173.1	0	0	0	0	109	I200 I232 F234 T243 L252 Y253 L255	I200-V241 HydrophobicContact CB-CG2 4.49Å; I200-V241 HydrophobicContact CD1-CG1 4.3Å; I200-V241 HydrophobicContact CD1-CG2 4.21Å; I200-V241 HydrophobicContact CG1-CG1 3.86Å; I200-V241 HydrophobicContact CG1-CG2 4.3Å; I200-V241 HydrophobicContact CG2-CG1 4.21Å; I232-V241 HydrophobicContact CD1-CG1 4.05Å; I232-V241 HydrophobicContact CG1-CG1 3.82Å; F234-V241 HydrophobicContact CD1-CG2 4.15Å; F234-V241 HydrophobicContact CE1-CG2 4.01Å; V241-T243 HydrophobicContact CG1-CG2 4.28Å; V241-L252 CarbonylContact O-C 3.6Å; V241-L252 WeakPolarHBondContact O-CA 3.31Å; V241-Y253 PolarHBondContact N-O 2.89Å; V241-Y253 PolarHBondContact O-N 3.07Å; V241-L255 HydrophobicContact CG2-CD2 3.76Å
242	I	98.1	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.5	179.2	-50.6	168.8	0	0	0	107.3	I232 G233 K251 L252 L276 P278 L285 M299	I232-I242 CarbonylContact C-O 3.51Å; I232-I242 WeakPolarHBondContact CA-O 3.16Å; I232-I242 WeakPolarHBondContact CG1-O 3.45Å; G233-I242 PolarHBondContact N-O 3.27Å; G233-I242 PolarHBondContact O-N 3.25Å; I242-K251 CarbonylContact C-O 3.59Å; I242-K251 WeakPolarHBondContact CA-O 3.28Å; I242-L252 HydrophobicContact CG1-CD1 3.8Å; I242-L276 HydrophobicContact CG2-CD1 3.95Å; I242-P278 HydrophobicContact CD1-CB 3.88Å; I242-P278 HydrophobicContact CD1-CG 4.17Å; I242-L285 HydrophobicContact CD1-CD1 4.23Å; I242-L285 HydrophobicContact CG2-CD1 3.79Å; I242-L285 HydrophobicContact CG2-CD2 3.74Å; I242-L285 HydrophobicContact CG2-CG 4.41Å; I242-M299 HydrophobicContact CD1-CE 3.5Å; I242-M299 HydrophobicContact CD1-SD 4.48Å; I242-M299 HydrophobicContact CG1-CE 3.83Å
243	T	98.6	Very high	97.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.7	-177.7	46.2	0	0	0	0	109.7	A208 H225 I229 A231 I232 V241 C250 K251 Y253	A208-T243 HydrophobicContact CB-CG2 4.02Å; H225-T243 WeakPolarHBondContact NE2-CB 3.36Å; H225-T243 PolarHBondContact NE2-OG1 2.92Å; I229-T243 HydrophobicContact CG2-CG2 4.18Å; A231-T243 CarbonylContact O-C 3.56Å; A231-T243 WeakPolarHBondContact O-CA 3.43Å; I232-T243 HydrophobicContact CD1-CG2 3.78Å; I232-T243 HydrophobicContact CG1-CG2 3.82Å; V241-T243 HydrophobicContact CG1-CG2 4.28Å; T243-C250 CarbonylContact O-C 3.54Å; T243-C250 WeakPolarHBondContact O-CA 3.15Å; T243-C250 VanDerWaalsContact O-CB 3.32Å; T243-C250 WeakPolarHBondContact O-CB 3.2Å; T243-K251 PolarHBondContact N-O 3.39Å; T243-K251 PolarHBondContact O-N 3.39Å; T243-K251 PolarHBondContact OG1-O 3.26Å; T243-K251 VanDerWaalsContact OG1-O 3.08Å; T243-Y253 HydrophobicContact CG2-CD2 4.38Å; T243-Y253 HydrophobicContact CG2-CE2 4.24Å; T243-Y253 VanDerWaalsContact OG1-CE2 3.32Å; T243-Y253 WeakPolarHBondContact OG1-CE2 3.47Å
244	G	98.4	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.7	-178.8	0	0	0	0	0	108.9	N230 A231 L276	N230-G244 PolarHBondContact N-O 2.92Å; A231-G244 PolarHBondContact N-O 3.33Å; A231-G244 VanDerWaalsContact N-O 3.14Å; A231-G244 PolarHBondContact O-N 3.31Å; G244-L276 VanDerWaalsContact N-CD1 3.32Å
245	S	98.4	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	164.5	-166.9	175.5	0	0	0	0	113.1	H225 S227 D228 D247 A248 T249 V273	H225-S245 VanDerWaalsContact CE1-CB 3.43Å; H225-S245 WeakPolarHBondContact CE1-CB 3.45Å; H225-S245 WeakPolarHBondContact ND1-CB 3.44Å; S227-S245 VanDerWaalsContact C-OG 3.3Å; S227-S245 PolarHBondContact O-OG 2.92Å; S227-S245 VanDerWaalsContact O-OG 3.1Å; D228-S245 CarbonylContact O-C 3.5Å; D228-S245 WeakPolarHBondContact O-CA 3.44Å; D228-S245 WeakPolarHBondContact O-CB 3.34Å; D228-S245 PolarHBondContact O-OG 2.96Å; S245-D247 WeakPolarHBondContact CB-OD1 3.36Å; S245-D247 PolarHBondContact O-N 2.95Å; S245-D247 PolarHBondContact OG-N 3.01Å; S245-A248 PolarHBondContact O-N 3.45Å; S245-T249 PolarHBondContact N-O 3.24Å; S245-V273 PolarHBondContact O-N 2.88Å
246	D	98.1	Very high	97.4	Very high	60 Å²	60	29.3 Å²	29.3	32%	0.321	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-10.2	167.5	-80.4	-29.6	0	0	0	114.1	D228 N230 A248	D228-D246 PolarHBondContact O-N 3.39Å; N230-D246 PolarHBondContact ND2-OD1 3Å; N230-D246 PolarHBondContact ND2-OD2 3.29Å; D246-A248 PolarHBondContact O-N 3.21Å; D246-A248 VanDerWaalsContact O-N 3.11Å
247	D	97.4	Very high	97.5	Very high	33 Å²	33	28.2 Å²	28.2	18%	0.176	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	9.4	168.9	69.8	17.9	0	0	0	113.9	H225 E226 S245 T249	H225-D247 WeakPolarHBondContact CA-OD2 3.4Å; H225-D247 WeakPolarHBondContact CB-OD2 3.24Å; H225-D247 IonicContact CE1-OD1 2.72Å; H225-D247 IonicContact CE1-OD2 2.86Å; H225-D247 IonicContact CG-OD2 3.96Å; H225-D247 IonicContact ND1-OD1 3.35Å; H225-D247 PolarHBondContact ND1-OD1 3.34Å; H225-D247 IonicContact ND1-OD2 3.54Å; H225-D247 PolarHBondContact ND1-OD2 3.35Å; E226-D247 HydrophobicContact CB-CB 4.15Å; E226-D247 PolarHBondContact N-OD2 3.44Å; S245-D247 WeakPolarHBondContact CB-OD1 3.36Å; S245-D247 PolarHBondContact O-N 2.95Å; S245-D247 PolarHBondContact OG-N 3.01Å; D247-T249 PolarHBondContact O-N 3.32Å; D247-T249 WeakPolarHBondContact OD1-CA 3.45Å; D247-T249 VanDerWaalsContact OD1-CB 3.29Å; D247-T249 WeakPolarHBondContact OD1-CB 3.46Å; D247-T249 PolarHBondContact OD1-N 2.62Å; D247-T249 PolarHBondContact OD1-OG1 2.81Å; D247-T249 PolarHBondContact OD2-OG1 2.92Å
248	A	97.4	Very high	97.6	Very high	11 Å²	11	25.7 Å²	25.7	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	65	7.8	-177.6	0	0	0	0	0	115.3	S245 D246 C271	S245-A248 PolarHBondContact O-N 3.45Å; D246-A248 PolarHBondContact O-N 3.21Å; D246-A248 VanDerWaalsContact O-N 3.11Å; A248-C271 WeakPolarHBondContact CA-O 3.43Å; A248-C271 WeakPolarHBondContact CB-O 3.45Å
249	T	97.9	Very high	97.6	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.08	13%	0.131	C	C	.	.			trans	-103.9	153.8	178.3	77.4	0	0	0	0	112.4	H225 S245 D247 T263 Q265	H225-T249 PolarHBondContact CE1-OG1 2.96Å; H225-T249 VanDerWaalsContact CE1-OG1 3.3Å; H225-T249 PolarHBondContact ND1-OG1 2.93Å; S245-T249 PolarHBondContact N-O 3.24Å; D247-T249 PolarHBondContact O-N 3.32Å; D247-T249 WeakPolarHBondContact OD1-CA 3.45Å; D247-T249 VanDerWaalsContact OD1-CB 3.29Å; D247-T249 WeakPolarHBondContact OD1-CB 3.46Å; D247-T249 PolarHBondContact OD1-N 2.62Å; D247-T249 PolarHBondContact OD1-OG1 2.81Å; D247-T249 PolarHBondContact OD2-OG1 2.92Å; T249-T263 HydrophobicContact CG2-CG2 4.14Å; T249-Q265 HydrophobicContact CG2-CB 4.17Å
250	C	98.4	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146	157.8	-50.8	0	0	0	0	109.1	T243 Y264 L276 L285	T243-C250 CarbonylContact O-C 3.54Å; T243-C250 WeakPolarHBondContact O-CA 3.15Å; T243-C250 VanDerWaalsContact O-CB 3.32Å; T243-C250 WeakPolarHBondContact O-CB 3.2Å; C250-Y264 HydrophobicContact CB-CD2 3.85Å; C250-Y264 HydrophobicContact CB-CG 4.39Å; C250-Y264 PolarHBondContact N-O 2.95Å; C250-Y264 WeakPolarHBondContact O-CD2 3.37Å; C250-Y264 PolarHBondContact O-N 3.47Å; C250-L276 HydrophobicContact CB-CD2 4.43Å; C250-L285 HydrophobicContact CB-CD2 4.07Å
251	K	98.4	Very high	97.6	Very high	21 Å²	21	28.2 Å²	28.2	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.7	178.4	-68.7	174.3	-178.9	-74.5	0	111.1	G224 I242 T243 Y253 E260 T263	G224-K251 VanDerWaalsContact O-CE 3.25Å; G224-K251 WeakPolarHBondContact O-CE 3.43Å; I242-K251 CarbonylContact C-O 3.59Å; I242-K251 WeakPolarHBondContact CA-O 3.28Å; T243-K251 PolarHBondContact N-O 3.39Å; T243-K251 PolarHBondContact O-N 3.39Å; T243-K251 PolarHBondContact OG1-O 3.26Å; T243-K251 VanDerWaalsContact OG1-O 3.08Å; K251-Y253 HydrophobicContact CB-CD2 4.28Å; K251-Y253 HydrophobicContact CB-CE2 3.58Å; K251-Y253 HydrophobicContact CD-CE2 4.39Å; K251-Y253 WeakPolarHBondContact CD-OH 3.44Å; K251-E260 HydrophobicContact CB-CG 4.33Å; K251-E260 VanDerWaalsContact CD-OE2 3.26Å; K251-E260 WeakPolarHBondContact CD-OE2 3.5Å; K251-E260 WeakPolarHBondContact CE-OE2 3.15Å; K251-E260 HydrophobicContact CG-CG 4.48Å; K251-E260 IonicContact NZ-OE1 3.9Å; K251-E260 IonicContact NZ-OE2 3.77Å; K251-E260 PolarHBondContact NZ-OE2 3.35Å; K251-T263 HydrophobicContact CG-CG2 4.48Å; K251-T263 PolarHBondContact NZ-OG1 2.79Å
252	L	98.3	Very high	97.5	Very high	10 Å²	10	28.3 Å²	28.3	5%	0.052	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.5	171.4	175.9	70.7	0	0	0	109	L30 A240 V241 I242 L261 I262 Y264 M299	L30-L252 HydrophobicContact CD2-CD2 4.3Å; A240-L252 HydrophobicContact CB-CD1 3.82Å; V241-L252 CarbonylContact O-C 3.6Å; V241-L252 WeakPolarHBondContact O-CA 3.31Å; I242-L252 HydrophobicContact CG1-CD1 3.8Å; L252-L261 HydrophobicContact CD2-CB 4.38Å; L252-L261 HydrophobicContact CD2-CD1 4.18Å; L252-L261 HydrophobicContact CG-CB 4.45Å; L252-L261 HydrophobicContact CG-CD1 4.45Å; L252-L261 PolarHBondContact O-N 2.85Å; L252-I262 HydrophobicContact CB-CG2 3.79Å; L252-I262 HydrophobicContact CD2-CG2 3.97Å; L252-I262 HydrophobicContact CG-CG2 4.48Å; L252-I262 PolarHBondContact N-O 3.01Å; L252-Y264 HydrophobicContact CB-CE2 4.03Å; L252-M299 HydrophobicContact CB-CE 4.43Å; L252-M299 HydrophobicContact CD1-CE 3.83Å; L252-M299 HydrophobicContact CD2-CE 4.06Å; L252-M299 HydrophobicContact CG-CE 4.34Å
253	Y	98.1	Very high	97.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.9	176.2	-64.2	-89.2	0	0	0	110	F222 S223 A240 V241 T243 K251 Q259 E260	F222-Y253 HydrophobicContact CB-CD1 3.88Å; F222-Y253 HydrophobicContact CB-CD2 4.48Å; F222-Y253 HydrophobicContact CB-CE1 3.96Å; F222-Y253 HydrophobicContact CB-CG 4.17Å; F222-Y253 AromaticContact CD1-CD1 3.77Å; F222-Y253 HydrophobicContact CD1-CD1 3.77Å; F222-Y253 HydrophobicContact CD1-CG 4.06Å; F222-Y253 HydrophobicContact CG-CD1 4.08Å; F222-Y253 HydrophobicContact CG-CG 4.15Å; S223-Y253 PolarHBondContact O-OH 3.29Å; A240-Y253 CarbonylContact C-O 3.51Å; A240-Y253 WeakPolarHBondContact CA-O 3.47Å; A240-Y253 VanDerWaalsContact CB-O 3.23Å; A240-Y253 WeakPolarHBondContact CB-O 3.36Å; V241-Y253 PolarHBondContact N-O 2.89Å; V241-Y253 PolarHBondContact O-N 3.07Å; T243-Y253 HydrophobicContact CG2-CD2 4.38Å; T243-Y253 HydrophobicContact CG2-CE2 4.24Å; T243-Y253 VanDerWaalsContact OG1-CE2 3.32Å; T243-Y253 WeakPolarHBondContact OG1-CE2 3.47Å; K251-Y253 HydrophobicContact CB-CD2 4.28Å; K251-Y253 HydrophobicContact CB-CE2 3.58Å; K251-Y253 HydrophobicContact CD-CE2 4.39Å; K251-Y253 WeakPolarHBondContact CD-OH 3.44Å; Y253-Q259 WeakPolarHBondContact CA-O 3.38Å; Y253-E260 HydrophobicContact CD1-CB 3.95Å; Y253-E260 HydrophobicContact CE1-CB 3.67Å; Y253-E260 HydrophobicContact CE1-CG 4.3Å
254	D	97.7	Very high	97.5	Very high	18 Å²	18	29.6 Å²	29.6	10%	0.096	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.5	170	178.9	-70.9	0	0	0	110	R256 A257 D258 Q259 L261	D254-R256 VanDerWaalsContact C-N 3.28Å; D254-R256 PolarHBondContact O-N 3.41Å; D254-R256 WeakPolarHBondContact OD1-CA 3.39Å; D254-R256 VanDerWaalsContact OD1-CB 3.31Å; D254-R256 WeakPolarHBondContact OD1-CB 3.33Å; D254-R256 PolarHBondContact OD1-N 3.29Å; D254-R256 IonicContact OD1-NE 3.37Å; D254-R256 IonicContact OD2-CZ 2.76Å; D254-R256 IonicContact OD2-NE 2.88Å; D254-R256 IonicContact OD2-NH2 2.82Å; D254-R256 PolarHBondContact OD2-NH2 3.09Å; D254-R256 VanDerWaalsContact OD2-NH2 3.16Å; D254-A257 HydrophobicContact CB-CB 4.01Å; D254-A257 PolarHBondContact O-N 3.07Å; D254-A257 PolarHBondContact OD1-N 3.37Å; D254-D258 PolarHBondContact O-N 3.12Å; D254-Q259 PolarHBondContact N-O 3.12Å; D254-L261 HydrophobicContact CB-CD1 3.7Å; D254-L261 HydrophobicContact CB-CD2 4.01Å; D254-L261 HydrophobicContact CB-CG 3.83Å
255	L	97.3	Very high	97.3	Very high	16 Å²	16	35.7 Å²	35.7	8%	0.084	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.8	-175	-60.8	-175.4	0	0	0	112.6	L210 Q220 F222 F234 G238 N239 V241	L210-L255 HydrophobicContact CD1-CD2 4.36Å; L210-L255 HydrophobicContact CD2-CD1 4.26Å; L210-L255 HydrophobicContact CD2-CD2 4.02Å; Q220-L255 PolarHBondContact NE2-O 2.73Å; Q220-L255 PolarHBondContact OE1-O 2.51Å; F222-L255 HydrophobicContact CE2-CD2 3.88Å; F222-L255 HydrophobicContact CZ-CD2 3.52Å; F234-L255 HydrophobicContact CE1-CD1 4.32Å; G238-L255 WeakPolarHBondContact O-CD1 3.36Å; N239-L255 WeakPolarHBondContact O-CG 3.08Å; N239-L255 PolarHBondContact O-N 3.2Å; V241-L255 HydrophobicContact CG2-CD2 3.76Å
256	R	96.9	Very high	97.1	Very high	195 Å²	195	38.1 Å²	38.1	74%	0.736	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-33.6	-178.5	-56.2	167.9	-63.8	159.7	5.5	111.4	D254 D258	D254-R256 VanDerWaalsContact C-N 3.28Å; D254-R256 PolarHBondContact O-N 3.41Å; D254-R256 WeakPolarHBondContact OD1-CA 3.39Å; D254-R256 VanDerWaalsContact OD1-CB 3.31Å; D254-R256 WeakPolarHBondContact OD1-CB 3.33Å; D254-R256 PolarHBondContact OD1-N 3.29Å; D254-R256 IonicContact OD1-NE 3.37Å; D254-R256 IonicContact OD2-CZ 2.76Å; D254-R256 IonicContact OD2-NE 2.88Å; D254-R256 IonicContact OD2-NH2 2.82Å; D254-R256 PolarHBondContact OD2-NH2 3.09Å; D254-R256 VanDerWaalsContact OD2-NH2 3.16Å; R256-D258 VanDerWaalsContact C-N 3.28Å
257	A	96.1	Very high	96.7	Very high	29 Å²	29	41.1 Å²	41.1	24%	0.24	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-20	173.9	0	0	0	0	0	112.5	D254 Q259	D254-A257 HydrophobicContact CB-CB 4.01Å; D254-A257 PolarHBondContact O-N 3.07Å; D254-A257 PolarHBondContact OD1-N 3.37Å; A257-Q259 HydrophobicContact CB-CG 4.02Å; A257-Q259 WeakPolarHBondContact O-CG 3.28Å; A257-Q259 PolarHBondContact O-N 3.06Å
258	D	97.3	Very high	96.3	Very high	39 Å²	39	42.7 Å²	42.7	21%	0.209	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	26.2	-177	-166.1	61.6	0	0	0	113.6	R22 Q220 D254 R256	R22-D258 VanDerWaalsContact CZ-O 3.23Å; R22-D258 IonicContact CZ-OD2 3.94Å; R22-D258 VanDerWaalsContact CZ-OD2 3.24Å; R22-D258 PolarHBondContact NE-O 2.87Å; R22-D258 IonicContact NE-OD2 2.82Å; R22-D258 PolarHBondContact NE-OD2 2.88Å; R22-D258 PolarHBondContact NH2-O 2.89Å; R22-D258 IonicContact NH2-OD1 3.16Å; R22-D258 IonicContact NH2-OD2 3.63Å; R22-D258 PolarHBondContact NH2-OD2 3.47Å; Q220-D258 WeakPolarHBondContact CG-OD1 3.42Å; Q220-D258 PolarHBondContact NE2-OD1 2.85Å; D254-D258 PolarHBondContact O-N 3.12Å; R256-D258 VanDerWaalsContact C-N 3.28Å
259	Q	95.1	Very high	96	Very high	26 Å²	26	42.6 Å²	42.6	12%	0.121	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	168.6	-175.5	66.8	-173.9	-45.3	0	0	112.5	R22 Y253 D254 A257	R22-Q259 HydrophobicContact CG-CB 4.49Å; R22-Q259 PolarHBondContact O-NE2 3Å; Y253-Q259 WeakPolarHBondContact CA-O 3.38Å; D254-Q259 PolarHBondContact N-O 3.12Å; A257-Q259 HydrophobicContact CB-CG 4.02Å; A257-Q259 WeakPolarHBondContact O-CG 3.28Å; A257-Q259 PolarHBondContact O-N 3.06Å
260	E	96.9	Very high	95.7	Very high	62 Å²	62	50 Å²	50	29%	0.29	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132	174.4	-171.5	-167.2	125.8	0	0	110.1	K251 Y253 T263	K251-E260 HydrophobicContact CB-CG 4.33Å; K251-E260 VanDerWaalsContact CD-OE2 3.26Å; K251-E260 WeakPolarHBondContact CD-OE2 3.5Å; K251-E260 WeakPolarHBondContact CE-OE2 3.15Å; K251-E260 HydrophobicContact CG-CG 4.48Å; K251-E260 IonicContact NZ-OE1 3.9Å; K251-E260 IonicContact NZ-OE2 3.77Å; K251-E260 PolarHBondContact NZ-OE2 3.35Å; Y253-E260 HydrophobicContact CD1-CB 3.95Å; Y253-E260 HydrophobicContact CE1-CB 3.67Å; Y253-E260 HydrophobicContact CE1-CG 4.3Å; E260-T263 VanDerWaalsContact CD-OG1 3.25Å; E260-T263 PolarHBondContact OE1-N 2.87Å; E260-T263 PolarHBondContact OE1-OG1 2.93Å; E260-T263 PolarHBondContact OE2-OG1 2.88Å
261	L	96.6	Very high	95.5	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.288	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-41.3	172.2	-66.7	-170.8	0	0	0	112.6	L30 L252 D254	L30-L261 HydrophobicContact CD2-CB 4.46Å; L252-L261 HydrophobicContact CD2-CB 4.38Å; L252-L261 HydrophobicContact CD2-CD1 4.18Å; L252-L261 HydrophobicContact CG-CB 4.45Å; L252-L261 HydrophobicContact CG-CD1 4.45Å; L252-L261 PolarHBondContact O-N 2.85Å; D254-L261 HydrophobicContact CB-CD1 3.7Å; D254-L261 HydrophobicContact CB-CD2 4.01Å; D254-L261 HydrophobicContact CB-CG 3.83Å
262	I	97.1	Very high	95.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	145	-175	-167.2	160.6	0	0	0	111.5	L30 Q31 L252 Y264 A302	L30-I262 HydrophobicContact CB-CB 4.5Å; L30-I262 HydrophobicContact CD2-CB 4.02Å; L30-I262 HydrophobicContact CD2-CD1 4.18Å; L30-I262 HydrophobicContact CD2-CG2 3.69Å; Q31-I262 HydrophobicContact CG-CD1 4.12Å; L252-I262 HydrophobicContact CB-CG2 3.79Å; L252-I262 HydrophobicContact CD2-CG2 3.97Å; L252-I262 HydrophobicContact CG-CG2 4.48Å; L252-I262 PolarHBondContact N-O 3.01Å; I262-Y264 HydrophobicContact CG2-CE1 4.28Å; I262-Y264 HydrophobicContact CG2-CE2 3.97Å; I262-Y264 WeakPolarHBondContact CG2-OH 3.24Å; I262-A302 HydrophobicContact CD1-CB 3.47Å; I262-A302 VanDerWaalsContact CD1-CB 3.47Å; I262-A302 HydrophobicContact CG1-CB 3.74Å
263	T	97.7	Very high	95.4	Very high	27 Å²	27	50 Å²	50	17%	0.166	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.7	171.3	-71.2	0	0	0	0	110.4	T249 K251 E260 Q265	T249-T263 HydrophobicContact CG2-CG2 4.14Å; K251-T263 HydrophobicContact CG-CG2 4.48Å; K251-T263 PolarHBondContact NZ-OG1 2.79Å; E260-T263 VanDerWaalsContact CD-OG1 3.25Å; E260-T263 PolarHBondContact OE1-N 2.87Å; E260-T263 PolarHBondContact OE1-OG1 2.93Å; E260-T263 PolarHBondContact OE2-OG1 2.88Å; T263-Q265 HydrophobicContact CG2-CB 4.22Å; T263-Q265 HydrophobicContact CG2-CG 4.09Å
264	Y	97.6	Very high	95.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.8	171.4	-50.1	-83.3	0	0	0	109.1	C250 L252 I262 L285 W297 M299 A302	C250-Y264 HydrophobicContact CB-CD2 3.85Å; C250-Y264 HydrophobicContact CB-CG 4.39Å; C250-Y264 PolarHBondContact N-O 2.95Å; C250-Y264 WeakPolarHBondContact O-CD2 3.37Å; C250-Y264 PolarHBondContact O-N 3.47Å; L252-Y264 HydrophobicContact CB-CE2 4.03Å; I262-Y264 HydrophobicContact CG2-CE1 4.28Å; I262-Y264 HydrophobicContact CG2-CE2 3.97Å; I262-Y264 WeakPolarHBondContact CG2-OH 3.24Å; Y264-L285 HydrophobicContact CD2-CD2 4.05Å; Y264-L285 HydrophobicContact CE2-CD2 4.21Å; Y264-L285 HydrophobicContact CG-CD2 4.47Å; Y264-W297 HydrophobicContact CD1-CB 3.98Å; Y264-W297 HydrophobicContact CD1-CE3 4.46Å; Y264-W297 HydrophobicContact CD1-CG 4.34Å; Y264-M299 HydrophobicContact CE1-SD 3.93Å; Y264-M299 HydrophobicContact CE2-CE 4.3Å; Y264-M299 HydrophobicContact CE2-SD 3.79Å; Y264-M299 WeakPolarHBondContact OH-CA 3.24Å; Y264-M299 WeakPolarHBondContact OH-CE 3.2Å; Y264-M299 PolarHBondContact OH-O 2.88Å; Y264-M299 PolarHBondContact OH-SD 3.31Å; Y264-A302 HydrophobicContact CD1-CB 3.73Å; Y264-A302 HydrophobicContact CE1-CB 3.95Å
265	Q	95.4	Very high	95.4	Very high	129 Å²	129	50.3 Å²	50.3	60%	0.603	28%	0.278	S	S	*	.			trans	-151.5	152	-178.9	61.7	-178.1	-2	0	0	110.4	T249 T263	T249-Q265 HydrophobicContact CG2-CB 4.17Å; T263-Q265 HydrophobicContact CG2-CB 4.22Å; T263-Q265 HydrophobicContact CG2-CG 4.09Å
266	D	93.8	Very high	95.4	Very high	51 Å²	51	50.5 Å²	50.5	27%	0.273	28%	0.279	S	S	.	.			trans	-140.1	132.5	172.9	177.9	-42.8	0	0	0	106.7	G268 I269 W297 R304	D266-G268 PolarHBondContact O-N 3.24Å; D266-G268 VanDerWaalsContact O-N 3.11Å; D266-G268 PolarHBondContact OD1-N 3.14Å; D266-I269 HydrophobicContact CB-CD1 3.88Å; D266-I269 HydrophobicContact CB-CG1 4.07Å; D266-I269 PolarHBondContact O-N 2.86Å; D266-W297 HydrophobicContact CB-CH2 3.76Å; D266-R304 IonicContact OD2-CZ 3.6Å; D266-R304 IonicContact OD2-NE 3.53Å; D266-R304 IonicContact OD2-NH2 2.78Å; D266-R304 PolarHBondContact OD2-NH2 2.83Å
267	S	89.9	Confident	95.4	Very high	122 Å²	122	41.5 Å²	41.5	85%	0.853	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.5	-175.6	54.8	0	0	0	0	113.9	I269	S267-I269 VanDerWaalsContact C-N 3.33Å
268	G	88.6	Confident	95.4	Very high	66 Å²	66	41.5 Å²	41.5	68%	0.68	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.4	171.2	0	0	0	0	0	114.3	D266	D266-G268 PolarHBondContact O-N 3.24Å; D266-G268 VanDerWaalsContact O-N 3.11Å; D266-G268 PolarHBondContact OD1-N 3.14Å
269	I	90.9	Very high	95.4	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.051	24%	0.24	C	C	.	.			trans	-107.2	110	-178	-55	175.5	0	0	0	108.8	D266 S267 Y289 N295 W297	D266-I269 HydrophobicContact CB-CD1 3.88Å; D266-I269 HydrophobicContact CB-CG1 4.07Å; D266-I269 PolarHBondContact O-N 2.86Å; S267-I269 VanDerWaalsContact C-N 3.33Å; I269-Y289 HydrophobicContact CG2-CD1 3.64Å; I269-Y289 HydrophobicContact CG2-CE1 3.53Å; I269-N295 WeakPolarHBondContact CD1-ND2 3.45Å; I269-W297 HydrophobicContact CD1-CH2 4.2Å; I269-W297 HydrophobicContact CD1-CZ2 3.83Å
270	M	91.7	Very high	95.4	Very high	167 Å²	167	43.9 Å²	43.9	82%	0.823	26%	0.259	S	S	*	.			trans	-117	13.8	179.6	-60.1	-63.9	-64.4	0	0	112.2
271	C	94.8	Very high	95.3	Very high	25 Å²	25	45.1 Å²	45.1	17%	0.169	27%	0.274	C	S	.	.	S	Bend	trans	-111.1	150.1	-174.9	60.8	0	0	0	0	111.1	A248 D290 D291	A248-C271 WeakPolarHBondContact CA-O 3.43Å; A248-C271 WeakPolarHBondContact CB-O 3.45Å; C271-D290 HydrophobicContact CB-CB 4.05Å; C271-D291 HydrophobicContact CB-CB 4.47Å; C271-D291 VanDerWaalsContact SG-CB 3.55Å
272	G	96.1	Very high	95.2	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	26%	0.262	C	S	.	.			trans	-65.4	148.9	-177.4	0	0	0	0	0	113.3	Y289 D290	G272-Y289 WeakPolarHBondContact O-CA 3.28Å; G272-D290 PolarHBondContact O-N 3.43Å; G272-D290 VanDerWaalsContact O-N 3.12Å
273	V	98.1	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.4	173	-177	0	0	0	0	108.6	N230 S245 L276 A287 Y289	N230-V273 VanDerWaalsContact CB-O 3.29Å; N230-V273 WeakPolarHBondContact CB-O 3.37Å; N230-V273 PolarHBondContact ND2-O 3.38Å; S245-V273 PolarHBondContact O-N 2.88Å; V273-L276 HydrophobicContact CG1-CD2 3.94Å; V273-L276 HydrophobicContact CG1-CG 4.28Å; V273-A287 HydrophobicContact CG1-CB 4.34Å; V273-Y289 HydrophobicContact CG2-CD1 4.04Å; V273-Y289 HydrophobicContact CG2-CE1 3.49Å; V273-Y289 VanDerWaalsContact CG2-CE1 3.49Å
274	T	98.1	Very high	95.2	Very high	18 Å²	18	45.8 Å²	45.8	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-30.4	-177.4	63.2	0	0	0	0	113.3	G288 D290 R314 V315	T274-G288 PolarHBondContact N-O 3Å; T274-G288 PolarHBondContact OG1-O 2.7Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.45Å; T274-R314 VanDerWaalsContact CG2-NH2 3.33Å; T274-V315 VanDerWaalsContact CB-O 3.29Å; T274-V315 WeakPolarHBondContact CB-O 3.25Å; T274-V315 WeakPolarHBondContact CG2-O 3.47Å; T274-V315 PolarHBondContact OG1-O 2.9Å
275	S	97.3	Very high	95.2	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	149.7	-167.7	59.8	0	0	0	0	111.5	A287 G288	S275-A287 WeakPolarHBondContact O-CA 3.49Å; S275-G288 PolarHBondContact O-N 3.19Å
276	L	97.1	Very high	95.4	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.9	-174.9	-66	169.3	0	0	0	110.8	A231 I242 G244 C250 V273 L285 L286 A287 I318	A231-L276 HydrophobicContact CB-CB 4.33Å; A231-L276 HydrophobicContact CB-CD1 3.9Å; A231-L276 HydrophobicContact CB-CG 3.8Å; I242-L276 HydrophobicContact CG2-CD1 3.95Å; G244-L276 VanDerWaalsContact N-CD1 3.32Å; C250-L276 HydrophobicContact CB-CD2 4.43Å; V273-L276 HydrophobicContact CG1-CD2 3.94Å; V273-L276 HydrophobicContact CG1-CG 4.28Å; L276-L285 HydrophobicContact CB-CD1 4.31Å; L276-L285 HydrophobicContact CD2-CD1 3.89Å; L276-L285 HydrophobicContact CD2-CD2 4.29Å; L276-L285 HydrophobicContact CD2-CG 4.37Å; L276-L286 WeakPolarHBondContact CA-O 3.46Å; L276-A287 HydrophobicContact CD2-CB 3.66Å; L276-I318 VanDerWaalsContact C-CG2 3.45Å
277	A	96.7	Very high	95.6	Very high	7 Å²	7	37.7 Å²	37.7	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	116.9	166.8	0	0	0	0	0	110.8	L286 I318 V320	A277-L286 PolarHBondContact N-O 2.85Å; A277-L286 WeakPolarHBondContact O-CD1 3.23Å; A277-L286 PolarHBondContact O-N 3.44Å; A277-I318 HydrophobicContact CB-CG1 4.15Å; A277-I318 HydrophobicContact CB-CG2 3.87Å; A277-V320 HydrophobicContact CB-CB 4.47Å; A277-V320 HydrophobicContact CB-CG2 3.77Å
278	P	96.7	Very high	96	Very high	28 Å²	28	31.9 Å²	31.9	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.1	167.8	29.1	-31.5	0	0	0	110.4	I242	I242-P278 HydrophobicContact CD1-CB 3.88Å; I242-P278 HydrophobicContact CD1-CG 4.17Å
279	S	96.7	Very high	96.4	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.119	16%	0.161	C	C	.	.			trans	-64.1	160.4	165.4	60.7	0	0	0	0	111.3	P236 S281 G282 R283 L284	P236-S279 WeakPolarHBondContact CG-O 3.1Å; S279-S281 PolarHBondContact O-N 2.87Å; S279-S281 PolarHBondContact OG-OG 3.45Å; S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 2.91Å; S279-R283 PolarHBondContact OG-N 3.23Å; S279-L284 PolarHBondContact N-O 3.41Å; S279-L284 PolarHBondContact OG-N 3.4Å; S279-L284 PolarHBondContact OG-O 2.83Å
280	L	95	Very high	96.7	Very high	99 Å²	99	30.6 Å²	30.6	52%	0.518	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.9	-179.8	-177.3	63.8	0	0	0	113.4	P236 G282	P236-L280 WeakPolarHBondContact CG-O 3.18Å; L280-G282 VanDerWaalsContact C-N 3.27Å; L280-G282 PolarHBondContact O-N 3.45Å
281	S	95.9	Very high	96.9	Very high	87 Å²	87	25.5 Å²	25.5	61%	0.608	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.1	176.4	68.1	0	0	0	0	113.9	S279 R283	S279-S281 PolarHBondContact O-N 2.87Å; S279-S281 PolarHBondContact OG-OG 3.45Å; S281-R283 PolarHBondContact O-N 3.31Å; S281-R283 WeakPolarHBondContact OG-CB 3.46Å; S281-R283 PolarHBondContact OG-N 2.98Å; S281-R283 VanDerWaalsContact OG-N 3.11Å
282	G	95.2	Very high	97	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	73.3	1.6	-168.8	0	0	0	0	0	114.3	F235 S279 L280 M299	F235-G282 WeakPolarHBondContact CE2-O 3.44Å; S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 2.91Å; L280-G282 VanDerWaalsContact C-N 3.27Å; L280-G282 PolarHBondContact O-N 3.45Å; G282-M299 WeakPolarHBondContact O-CB 3.26Å; G282-M299 VanDerWaalsContact O-CG 3.28Å; G282-M299 WeakPolarHBondContact O-CG 3.26Å
283	R	96.4	Very high	97.1	Very high	60 Å²	60	30.1 Å²	30.1	23%	0.226	16%	0.164	C	C	.	.	S	Bend	trans	-73.4	-35.1	-179.3	-176.8	57.5	-175.4	-86.1	0.3	113.2	T38 V40 S279 S281 D298 M299	T38-R283 PolarHBondContact O-NH2 2.82Å; V40-R283 HydrophobicContact CG2-CG 3.7Å; S279-R283 PolarHBondContact OG-N 3.23Å; S281-R283 PolarHBondContact O-N 3.31Å; S281-R283 WeakPolarHBondContact OG-CB 3.46Å; S281-R283 PolarHBondContact OG-N 2.98Å; S281-R283 VanDerWaalsContact OG-N 3.11Å; R283-D298 IonicContact CZ-OD1 2.73Å; R283-D298 IonicContact CZ-OD2 2.98Å; R283-D298 IonicContact NE-OD1 3.46Å; R283-D298 PolarHBondContact NE-OD1 3.5Å; R283-D298 IonicContact NE-OD2 3.64Å; R283-D298 PolarHBondContact NE-OD2 3.44Å; R283-D298 IonicContact NH2-OD1 3.32Å; R283-D298 IonicContact NH2-OD2 3.41Å; R283-D298 PolarHBondContact NH2-OD2 2.94Å; R283-M299 WeakPolarHBondContact O-CB 3.22Å; R283-M299 PolarHBondContact O-N 2.91Å
284	L	97.8	Very high	97.1	Very high	35 Å²	35	30.1 Å²	30.1	18%	0.183	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.1	177.1	-55.6	178	0	0	0	110.5	V40 V43 S279 I296 W297 V305	V40-L284 HydrophobicContact CG1-CD2 4.3Å; V40-L284 HydrophobicContact CG2-CD2 4.31Å; V43-L284 HydrophobicContact CG2-CD1 4.19Å; V43-L284 HydrophobicContact CG2-CD2 4.27Å; S279-L284 PolarHBondContact N-O 3.41Å; S279-L284 PolarHBondContact OG-N 3.4Å; S279-L284 PolarHBondContact OG-O 2.83Å; L284-I296 HydrophobicContact CB-CG2 4.13Å; L284-I296 HydrophobicContact CD1-CG2 4.22Å; L284-I296 HydrophobicContact CD2-CG2 4.07Å; L284-I296 HydrophobicContact CG-CG2 4.37Å; L284-W297 WeakPolarHBondContact CA-O 3.41Å; L284-V305 HydrophobicContact CD2-CG2 3.95Å
285	L	98.1	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.2	164.4	167.7	68.2	0	0	0	109.4	I242 C250 Y264 L276 I296 W297 M299	I242-L285 HydrophobicContact CD1-CD1 4.23Å; I242-L285 HydrophobicContact CG2-CD1 3.79Å; I242-L285 HydrophobicContact CG2-CD2 3.74Å; I242-L285 HydrophobicContact CG2-CG 4.41Å; C250-L285 HydrophobicContact CB-CD2 4.07Å; Y264-L285 HydrophobicContact CD2-CD2 4.05Å; Y264-L285 HydrophobicContact CE2-CD2 4.21Å; Y264-L285 HydrophobicContact CG-CD2 4.47Å; L276-L285 HydrophobicContact CB-CD1 4.31Å; L276-L285 HydrophobicContact CD2-CD1 3.89Å; L276-L285 HydrophobicContact CD2-CD2 4.29Å; L276-L285 HydrophobicContact CD2-CG 4.37Å; L285-I296 WeakPolarHBondContact O-CA 3.35Å; L285-W297 HydrophobicContact CB-CB 4.34Å; L285-W297 PolarHBondContact N-O 3.08Å; L285-W297 PolarHBondContact O-N 3.03Å; L285-M299 HydrophobicContact CB-CG 3.76Å; L285-M299 HydrophobicContact CB-SD 3.24Å; L285-M299 WeakPolarHBondContact CB-SD 3.23Å; L285-M299 HydrophobicContact CD2-SD 3.76Å; L285-M299 HydrophobicContact CG-SD 4.06Å
286	L	98.3	Very high	97.1	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.052	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.8	171.1	-59.4	87.4	0	0	0	107.8	L276 A277 V294 I296 L308 I318 V320 C327	L276-L286 WeakPolarHBondContact CA-O 3.46Å; A277-L286 PolarHBondContact N-O 2.85Å; A277-L286 WeakPolarHBondContact O-CD1 3.23Å; A277-L286 PolarHBondContact O-N 3.44Å; L286-V294 HydrophobicContact CB-CG1 4.04Å; L286-I296 HydrophobicContact CD2-CG1 4.5Å; L286-I296 HydrophobicContact CG-CG1 4.31Å; L286-L308 HydrophobicContact CD2-CD1 4.18Å; L286-I318 HydrophobicContact CB-CD1 3.38Å; L286-I318 HydrophobicContact CD2-CD1 3.99Å; L286-I318 HydrophobicContact CG-CD1 4.33Å; L286-V320 HydrophobicContact CD1-CG2 4.02Å; L286-C327 HydrophobicContact CD2-CB 3.97Å; L286-C327 VanDerWaalsContact CD2-SG 3.58Å
287	A	98.3	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.7	179.3	0	0	0	0	0	109.4	V273 S275 L276 Y289 V294 N295	V273-A287 HydrophobicContact CG1-CB 4.34Å; S275-A287 WeakPolarHBondContact O-CA 3.49Å; L276-A287 HydrophobicContact CD2-CB 3.66Å; A287-Y289 HydrophobicContact CB-CD2 4.4Å; A287-Y289 HydrophobicContact CB-CE2 3.54Å; A287-Y289 WeakPolarHBondContact O-CD2 3.35Å; A287-Y289 VanDerWaalsContact O-CE2 3.23Å; A287-Y289 WeakPolarHBondContact O-CE2 3.47Å; A287-V294 CarbonylContact O-C 3.53Å; A287-V294 VanDerWaalsContact O-CA 3.24Å; A287-V294 WeakPolarHBondContact O-CA 3.2Å; A287-V294 VanDerWaalsContact O-CG1 3.28Å; A287-V294 WeakPolarHBondContact O-CG1 3.37Å; A287-N295 PolarHBondContact N-O 2.87Å; A287-N295 PolarHBondContact O-N 2.95Å
288	G	98.1	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.9	174.7	0	0	0	0	0	110.9	T274 S275	T274-G288 PolarHBondContact N-O 3Å; T274-G288 PolarHBondContact OG1-O 2.7Å; S275-G288 PolarHBondContact O-N 3.19Å
289	Y	98.1	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	162.1	-173.3	-71.3	-96.4	0	0	0	112	I269 G272 V273 A287 D291 F292 N293 N295 W297 V315	I269-Y289 HydrophobicContact CG2-CD1 3.64Å; I269-Y289 HydrophobicContact CG2-CE1 3.53Å; G272-Y289 WeakPolarHBondContact O-CA 3.28Å; V273-Y289 HydrophobicContact CG2-CD1 4.04Å; V273-Y289 HydrophobicContact CG2-CE1 3.49Å; V273-Y289 VanDerWaalsContact CG2-CE1 3.49Å; A287-Y289 HydrophobicContact CB-CD2 4.4Å; A287-Y289 HydrophobicContact CB-CE2 3.54Å; A287-Y289 WeakPolarHBondContact O-CD2 3.35Å; A287-Y289 VanDerWaalsContact O-CE2 3.23Å; A287-Y289 WeakPolarHBondContact O-CE2 3.47Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.32Å; Y289-D291 PolarHBondContact O-N 2.9Å; Y289-F292 PolarHBondContact O-N 2.81Å; Y289-N293 PolarHBondContact N-O 3.13Å; Y289-N295 HydrophobicContact CD2-CB 4.31Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.39Å; Y289-N295 HydrophobicContact CE2-CB 3.72Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.37Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.47Å; Y289-W297 PolarHBondContact OH-NE1 3.32Å; Y289-W297 VanDerWaalsContact OH-NE1 3.15Å; Y289-V315 PolarHBondContact O-N 2.77Å
290	D	96.7	Very high	97.1	Very high	50 Å²	50	28.2 Å²	28.2	27%	0.267	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.1	175.3	-82.8	-7.8	0	0	0	114.3	C271 G272 T274 F292 R314	C271-D290 HydrophobicContact CB-CB 4.05Å; G272-D290 PolarHBondContact O-N 3.43Å; G272-D290 VanDerWaalsContact O-N 3.12Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.45Å; D290-F292 WeakPolarHBondContact O-CD1 3.32Å; D290-F292 VanDerWaalsContact O-CE1 3.31Å; D290-F292 WeakPolarHBondContact O-CE1 3.3Å; D290-F292 PolarHBondContact O-N 3.03Å; D290-R314 IonicContact OD1-CZ 3.1Å; D290-R314 IonicContact OD1-NE 3.86Å; D290-R314 PolarHBondContact OD1-NE 3.36Å; D290-R314 IonicContact OD1-NH2 3.9Å; D290-R314 PolarHBondContact OD1-NH2 2.82Å; D290-R314 IonicContact OD2-CZ 3.36Å; D290-R314 IonicContact OD2-NH2 3.36Å; D290-R314 PolarHBondContact OD2-NH2 2.8Å
291	D	96.1	Very high	97.1	Very high	59 Å²	59	25.6 Å²	25.6	32%	0.316	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	11.2	172.4	77.2	-18.1	0	0	0	114.3	C271 Y289 N293	C271-D291 HydrophobicContact CB-CB 4.47Å; C271-D291 VanDerWaalsContact SG-CB 3.55Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.32Å; Y289-D291 PolarHBondContact O-N 2.9Å; D291-N293 PolarHBondContact O-N 3.25Å; D291-N293 PolarHBondContact O-ND2 3.09Å; D291-N293 WeakPolarHBondContact OD1-CB 3.1Å; D291-N293 PolarHBondContact OD1-N 3.28Å; D291-N293 PolarHBondContact OD2-ND2 3.06Å
292	F	97.5	Very high	97.1	Very high	88 Å²	88	22.3 Å²	22.3	39%	0.386	11%	0.111	S	C	.	.	S	Bend	trans	77.6	-0.8	176.7	-38.6	-22.3	0	0	0	114	Y289 D290 N313 R314 V315	Y289-F292 PolarHBondContact O-N 2.81Å; D290-F292 WeakPolarHBondContact O-CD1 3.32Å; D290-F292 VanDerWaalsContact O-CE1 3.31Å; D290-F292 WeakPolarHBondContact O-CE1 3.3Å; D290-F292 PolarHBondContact O-N 3.03Å; F292-N313 WeakPolarHBondContact CB-O 3.21Å; F292-N313 VanDerWaalsContact CG-C 3.47Å; F292-R314 HydrophobicContact CD1-CB 4.29Å; F292-V315 WeakPolarHBondContact O-CG2 3.23Å
293	N	97.2	Very high	97.2	Very high	41 Å²	41	27 Å²	27	22%	0.219	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	160.7	-179.4	-59.8	-55.8	0	0	0	111.9	Y289 D291 V307 A309	Y289-N293 PolarHBondContact N-O 3.13Å; D291-N293 PolarHBondContact O-N 3.25Å; D291-N293 PolarHBondContact O-ND2 3.09Å; D291-N293 WeakPolarHBondContact OD1-CB 3.1Å; D291-N293 PolarHBondContact OD1-N 3.28Å; D291-N293 PolarHBondContact OD2-ND2 3.06Å; N293-V307 HydrophobicContact CB-CG1 4.05Å; N293-A309 WeakPolarHBondContact OD1-CB 3.46Å
294	V	98.1	Very high	97.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.7	162.6	-177.1	0	0	0	0	108.2	L286 A287 V307 L308 V315 I318 T329	L286-V294 HydrophobicContact CB-CG1 4.04Å; A287-V294 CarbonylContact O-C 3.53Å; A287-V294 VanDerWaalsContact O-CA 3.24Å; A287-V294 WeakPolarHBondContact O-CA 3.2Å; A287-V294 VanDerWaalsContact O-CG1 3.28Å; A287-V294 WeakPolarHBondContact O-CG1 3.37Å; V294-V307 CarbonylContact O-C 3.51Å; V294-V307 WeakPolarHBondContact O-CA 3.34Å; V294-L308 HydrophobicContact CB-CB 4Å; V294-L308 HydrophobicContact CB-CD1 4.23Å; V294-L308 HydrophobicContact CB-CG 4.27Å; V294-L308 HydrophobicContact CG1-CD1 4.27Å; V294-L308 PolarHBondContact N-O 3.09Å; V294-L308 VanDerWaalsContact N-O 3.15Å; V294-L308 PolarHBondContact O-N 3.21Å; V294-V315 HydrophobicContact CG2-CB 4.31Å; V294-V315 HydrophobicContact CG2-CG1 3.89Å; V294-V315 HydrophobicContact CG2-CG2 3.89Å; V294-I318 HydrophobicContact CG1-CD1 3.65Å; V294-I318 HydrophobicContact CG2-CD1 4.47Å; V294-T329 HydrophobicContact CG2-CG2 3.79Å
295	N	97.9	Very high	97.1	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.7	172.5	-63.5	-69.3	0	0	0	109.7	I269 A287 Y289 W297 R304	I269-N295 WeakPolarHBondContact CD1-ND2 3.45Å; A287-N295 PolarHBondContact N-O 2.87Å; A287-N295 PolarHBondContact O-N 2.95Å; Y289-N295 HydrophobicContact CD2-CB 4.31Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.39Å; Y289-N295 HydrophobicContact CE2-CB 3.72Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.37Å; N295-W297 HydrophobicContact CB-CZ2 4.27Å; N295-R304 HydrophobicContact CB-CG 4.45Å; N295-R304 WeakPolarHBondContact OD1-CD 3.44Å; N295-R304 PolarHBondContact OD1-NH1 2.77Å
296	I	98.1	Very high	97.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.3	175.3	-53	178.5	0	0	0	107.7	V43 L45 L284 L285 L286 V305 G306 L308	V43-I296 HydrophobicContact CB-CD1 4.3Å; V43-I296 HydrophobicContact CG1-CD1 3.82Å; L45-I296 HydrophobicContact CD1-CD1 4.14Å; L45-I296 HydrophobicContact CG-CD1 4.36Å; L284-I296 HydrophobicContact CB-CG2 4.13Å; L284-I296 HydrophobicContact CD1-CG2 4.22Å; L284-I296 HydrophobicContact CD2-CG2 4.07Å; L284-I296 HydrophobicContact CG-CG2 4.37Å; L285-I296 WeakPolarHBondContact O-CA 3.35Å; L286-I296 HydrophobicContact CD2-CG1 4.5Å; L286-I296 HydrophobicContact CG-CG1 4.31Å; I296-V305 HydrophobicContact CB-CG2 4.35Å; I296-V305 HydrophobicContact CG2-CG2 3.87Å; I296-V305 WeakPolarHBondContact O-CG2 3.3Å; I296-V305 PolarHBondContact O-N 2.85Å; I296-G306 PolarHBondContact N-O 3.15Å; I296-G306 PolarHBondContact O-N 3.43Å; I296-L308 HydrophobicContact CD1-CD1 4.49Å; I296-L308 HydrophobicContact CD1-CD2 3.91Å; I296-L308 HydrophobicContact CD1-CG 4.08Å; I296-L308 HydrophobicContact CG1-CG 4.42Å
297	W	98.1	Very high	97	Very high	3 Å²	3	31 Å²	31	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.6	-177.9	-59.1	97.3	0	0	0	110.9	Y264 D266 I269 L284 L285 Y289 N295 M299 R304	Y264-W297 HydrophobicContact CD1-CB 3.98Å; Y264-W297 HydrophobicContact CD1-CE3 4.46Å; Y264-W297 HydrophobicContact CD1-CG 4.34Å; D266-W297 HydrophobicContact CB-CH2 3.76Å; I269-W297 HydrophobicContact CD1-CH2 4.2Å; I269-W297 HydrophobicContact CD1-CZ2 3.83Å; L284-W297 WeakPolarHBondContact CA-O 3.41Å; L285-W297 HydrophobicContact CB-CB 4.34Å; L285-W297 PolarHBondContact N-O 3.08Å; L285-W297 PolarHBondContact O-N 3.03Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.47Å; Y289-W297 PolarHBondContact OH-NE1 3.32Å; Y289-W297 VanDerWaalsContact OH-NE1 3.15Å; N295-W297 HydrophobicContact CB-CZ2 4.27Å; W297-M299 PolarHBondContact O-N 3.34Å; W297-R304 HydrophobicContact CE3-CB 3.97Å; W297-R304 HydrophobicContact CH2-CB 4.3Å; W297-R304 HydrophobicContact CZ3-CB 3.86Å
298	D	97.5	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	112.3	162.7	-175	-24	0	0	0	108.9	L39 V40 R283 L300 K301 A302 E303 V305	L39-D298 HydrophobicContact CD1-CB 4.14Å; V40-D298 WeakPolarHBondContact CG2-OD2 3.16Å; V40-D298 PolarHBondContact N-OD2 3.17Å; R283-D298 IonicContact CZ-OD1 2.73Å; R283-D298 IonicContact CZ-OD2 2.98Å; R283-D298 IonicContact NE-OD1 3.46Å; R283-D298 PolarHBondContact NE-OD1 3.5Å; R283-D298 IonicContact NE-OD2 3.64Å; R283-D298 PolarHBondContact NE-OD2 3.44Å; R283-D298 IonicContact NH2-OD1 3.32Å; R283-D298 IonicContact NH2-OD2 3.41Å; R283-D298 PolarHBondContact NH2-OD2 2.94Å; D298-L300 PolarHBondContact O-N 2.83Å; D298-L300 VanDerWaalsContact O-N 3.17Å; D298-L300 PolarHBondContact OD1-N 2.89Å; D298-K301 HydrophobicContact CB-CB 4.26Å; D298-K301 PolarHBondContact O-N 2.94Å; D298-A302 WeakPolarHBondContact O-CA 3.45Å; D298-A302 PolarHBondContact O-N 3.13Å; D298-E303 PolarHBondContact N-O 3.29Å; D298-V305 HydrophobicContact CB-CG1 3.86Å
299	M	95.9	Very high	96.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.8	-175.8	-73.7	-69.8	-74.9	0	0	114	F235 I242 L252 Y264 G282 R283 L285 W297	F235-M299 HydrophobicContact CD2-CE 4.33Å; I242-M299 HydrophobicContact CD1-CE 3.5Å; I242-M299 HydrophobicContact CD1-SD 4.48Å; I242-M299 HydrophobicContact CG1-CE 3.83Å; L252-M299 HydrophobicContact CB-CE 4.43Å; L252-M299 HydrophobicContact CD1-CE 3.83Å; L252-M299 HydrophobicContact CD2-CE 4.06Å; L252-M299 HydrophobicContact CG-CE 4.34Å; Y264-M299 HydrophobicContact CE1-SD 3.93Å; Y264-M299 HydrophobicContact CE2-CE 4.3Å; Y264-M299 HydrophobicContact CE2-SD 3.79Å; Y264-M299 WeakPolarHBondContact OH-CA 3.24Å; Y264-M299 WeakPolarHBondContact OH-CE 3.2Å; Y264-M299 PolarHBondContact OH-O 2.88Å; Y264-M299 PolarHBondContact OH-SD 3.31Å; G282-M299 WeakPolarHBondContact O-CB 3.26Å; G282-M299 VanDerWaalsContact O-CG 3.28Å; G282-M299 WeakPolarHBondContact O-CG 3.26Å; R283-M299 WeakPolarHBondContact O-CB 3.22Å; R283-M299 PolarHBondContact O-N 2.91Å; L285-M299 HydrophobicContact CB-CG 3.76Å; L285-M299 HydrophobicContact CB-SD 3.24Å; L285-M299 WeakPolarHBondContact CB-SD 3.23Å; L285-M299 HydrophobicContact CD2-SD 3.76Å; L285-M299 HydrophobicContact CG-SD 4.06Å; W297-M299 PolarHBondContact O-N 3.34Å
300	L	96.1	Very high	96.8	Very high	52 Å²	52	35.6 Å²	35.6	27%	0.272	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-30.4	179.1	-59.4	-178.8	0	0	0	112	V34 T37 D298	V34-L300 HydrophobicContact CB-CB 4.46Å; V34-L300 HydrophobicContact CG1-CD2 4.31Å; V34-L300 HydrophobicContact CG2-CB 4.12Å; V34-L300 WeakPolarHBondContact CG2-O 3.4Å; T37-L300 HydrophobicContact CG2-CD1 4.08Å; D298-L300 PolarHBondContact O-N 2.83Å; D298-L300 VanDerWaalsContact O-N 3.17Å; D298-L300 PolarHBondContact OD1-N 2.89Å
301	K	94.9	Very high	96.8	Very high	44 Å²	44	33.8 Å²	33.8	19%	0.191	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-12.3	-173.6	-64.2	-60.5	-170	177.7	0	114	V34 A35 T37 L39 D298 E303	V34-K301 HydrophobicContact CG2-CD 4.4Å; V34-K301 PolarHBondContact O-NZ 2.62Å; A35-K301 PolarHBondContact O-NZ 3.28Å; T37-K301 WeakPolarHBondContact O-CE 3.09Å; T37-K301 PolarHBondContact O-NZ 3.16Å; L39-K301 HydrophobicContact CD1-CB 3.79Å; L39-K301 HydrophobicContact CD1-CG 3.94Å; D298-K301 HydrophobicContact CB-CB 4.26Å; D298-K301 PolarHBondContact O-N 2.94Å; K301-E303 HydrophobicContact CB-CB 4.36Å; K301-E303 HydrophobicContact CB-CG 4.28Å; K301-E303 PolarHBondContact O-N 3.28Å
302	A	95.9	Very high	96.9	Very high	19 Å²	19	37.1 Å²	37.1	16%	0.157	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	31.4	-169.2	0	0	0	0	0	114.2	I262 Y264 D298	I262-A302 HydrophobicContact CD1-CB 3.47Å; I262-A302 VanDerWaalsContact CD1-CB 3.47Å; I262-A302 HydrophobicContact CG1-CB 3.74Å; Y264-A302 HydrophobicContact CD1-CB 3.73Å; Y264-A302 HydrophobicContact CE1-CB 3.95Å; D298-A302 WeakPolarHBondContact O-CA 3.45Å; D298-A302 PolarHBondContact O-N 3.13Å
303	E	95.4	Very high	96.9	Very high	100 Å²	100	35.5 Å²	35.5	47%	0.467	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.4	176.8	-72.4	-172	-163.9	0	0	110.6	L39 D298 K301 V305	L39-E303 HydrophobicContact CD1-CB 3.74Å; L39-E303 HydrophobicContact CD1-CG 4.29Å; L39-E303 WeakPolarHBondContact CD1-OE2 3.29Å; L39-E303 WeakPolarHBondContact CD2-OE2 3.43Å; D298-E303 PolarHBondContact N-O 3.29Å; K301-E303 HydrophobicContact CB-CB 4.36Å; K301-E303 HydrophobicContact CB-CG 4.28Å; K301-E303 PolarHBondContact O-N 3.28Å; E303-V305 PolarHBondContact O-N 2.9Å
304	R	96.6	Very high	96.9	Very high	108 Å²	108	36.4 Å²	36.4	41%	0.408	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.1	174.3	-177.9	173.9	57	172.1	-11.6	109.8	D266 N295 W297	D266-R304 IonicContact OD2-CZ 3.6Å; D266-R304 IonicContact OD2-NE 3.53Å; D266-R304 IonicContact OD2-NH2 2.78Å; D266-R304 PolarHBondContact OD2-NH2 2.83Å; N295-R304 HydrophobicContact CB-CG 4.45Å; N295-R304 WeakPolarHBondContact OD1-CD 3.44Å; N295-R304 PolarHBondContact OD1-NH1 2.77Å; W297-R304 HydrophobicContact CE3-CB 3.97Å; W297-R304 HydrophobicContact CH2-CB 4.3Å; W297-R304 HydrophobicContact CZ3-CB 3.86Å
305	V	97.2	Very high	97	Very high	12 Å²	12	36.3 Å²	36.3	7%	0.073	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-12.4	-177.3	-64	0	0	0	0	113.5	L39 V40 R42 V43 L284 I296 D298 E303	L39-V305 HydrophobicContact CD1-CG1 4Å; L39-V305 HydrophobicContact CG-CG1 4.38Å; V40-V305 HydrophobicContact CB-CG1 4.34Å; V40-V305 WeakPolarHBondContact O-CG1 3.35Å; R42-V305 CarbonylContact C-O 3.56Å; R42-V305 WeakPolarHBondContact CA-O 3.32Å; V43-V305 HydrophobicContact CB-CG2 4.43Å; V43-V305 HydrophobicContact CG2-CB 4.34Å; V43-V305 HydrophobicContact CG2-CG2 3.81Å; V43-V305 PolarHBondContact N-O 3.34Å; L284-V305 HydrophobicContact CD2-CG2 3.95Å; I296-V305 HydrophobicContact CB-CG2 4.35Å; I296-V305 HydrophobicContact CG2-CG2 3.87Å; I296-V305 WeakPolarHBondContact O-CG2 3.3Å; I296-V305 PolarHBondContact O-N 2.85Å; D298-V305 HydrophobicContact CB-CG1 3.86Å; E303-V305 PolarHBondContact O-N 2.9Å
306	G	96.7	Very high	97	Very high	7 Å²	7	37.1 Å²	37.1	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	164.4	179.8	0	0	0	0	0	113.2	V43 I296	V43-G306 WeakPolarHBondContact O-CA 3.38Å; I296-G306 PolarHBondContact N-O 3.15Å; I296-G306 PolarHBondContact O-N 3.43Å
307	V	97.1	Very high	96.9	Very high	64 Å²	64	37.5 Å²	37.5	39%	0.388	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.1	175.3	-177.7	0	0	0	0	108.4	N293 V294 A309	N293-V307 HydrophobicContact CB-CG1 4.05Å; V294-V307 CarbonylContact O-C 3.51Å; V294-V307 WeakPolarHBondContact O-CA 3.34Å; V307-A309 HydrophobicContact CG1-CB 4.43Å
308	L	97.5	Very high	96.9	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	94.7	169.1	-45	178.3	0	0	0	108.1	L45 L286 V294 I296 W339	L45-L308 HydrophobicContact CB-CD2 3.7Å; L45-L308 HydrophobicContact CD1-CD1 4.33Å; L45-L308 HydrophobicContact CD1-CD2 4.12Å; L45-L308 HydrophobicContact CG-CD2 4.12Å; L286-L308 HydrophobicContact CD2-CD1 4.18Å; V294-L308 HydrophobicContact CB-CB 4Å; V294-L308 HydrophobicContact CB-CD1 4.23Å; V294-L308 HydrophobicContact CB-CG 4.27Å; V294-L308 HydrophobicContact CG1-CD1 4.27Å; V294-L308 PolarHBondContact N-O 3.09Å; V294-L308 VanDerWaalsContact N-O 3.15Å; V294-L308 PolarHBondContact O-N 3.21Å; I296-L308 HydrophobicContact CD1-CD1 4.49Å; I296-L308 HydrophobicContact CD1-CD2 3.91Å; I296-L308 HydrophobicContact CD1-CG 4.08Å; I296-L308 HydrophobicContact CG1-CG 4.42Å; L308-W339 HydrophobicContact CB-CD2 4.31Å; L308-W339 HydrophobicContact CB-CE3 4.19Å; L308-W339 HydrophobicContact CB-CH2 3.98Å; L308-W339 HydrophobicContact CB-CZ2 4.11Å; L308-W339 HydrophobicContact CB-CZ3 4.02Å; L308-W339 HydrophobicContact CD1-CB 4.49Å; L308-W339 HydrophobicContact CD1-CD2 4.01Å; L308-W339 HydrophobicContact CD1-CE3 4.44Å; L308-W339 HydrophobicContact CD1-CG 4.01Å; L308-W339 HydrophobicContact CD2-CD2 4.36Å; L308-W339 HydrophobicContact CD2-CE3 3.97Å; L308-W339 HydrophobicContact CD2-CZ3 4.36Å; L308-W339 HydrophobicContact CG-CD2 4.47Å; L308-W339 HydrophobicContact CG-CE3 4.44Å
309	A	96.5	Very high	96.9	Very high	71 Å²	71	38.7 Å²	38.7	59%	0.587	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	112	173.5	0	0	0	0	0	108.5	N293 V307	N293-A309 WeakPolarHBondContact OD1-CB 3.46Å; V307-A309 HydrophobicContact CG1-CB 4.43Å
310	G	95.4	Very high	97	Very high	22 Å²	22	40.1 Å²	40.1	23%	0.227	22%	0.224	C	C	.	.			trans	-170.7	0.3	176.6	0	0	0	0	0	115.3	K337	G310-K337 WeakPolarHBondContact O-CE 3.44Å; G310-K337 PolarHBondContact O-NZ 2.73Å
311	H	98	Very high	96.9	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.051	21%	0.212	C	C	.	.			trans	-98.7	150	171.1	-74.6	-71.5	0	0	0	110.1	V315 T329 S331 D333 F335	H311-V315 HydrophobicContact CB-CG2 4.39Å; H311-T329 PolarHBondContact NE2-OG1 2.59Å; H311-S331 VanDerWaalsContact CG-CB 3.46Å; H311-S331 WeakPolarHBondContact ND1-CB 3.32Å; H311-D333 WeakPolarHBondContact CA-OD2 3.16Å; H311-D333 WeakPolarHBondContact CB-OD2 3.35Å; H311-D333 IonicContact CE1-OD1 3.75Å; H311-D333 IonicContact CE1-OD2 2.71Å; H311-D333 IonicContact CG-OD2 3.07Å; H311-D333 IonicContact ND1-OD1 3.78Å; H311-D333 PolarHBondContact ND1-OD1 3.24Å; H311-D333 IonicContact ND1-OD2 3.96Å; H311-D333 PolarHBondContact ND1-OD2 2.97Å; H311-F335 PolarHBondContact CE1-O 3.4Å
312	D	97.4	Very high	96.8	Very high	130 Å²	130	39 Å²	39	70%	0.695	23%	0.226	S	C	*	.	S	Bend	trans	-97.8	6.2	179.9	-60.9	-42.6	0	0	0	112.1	D333	D312-D333 HydrophobicContact CB-CB 4.4Å; D312-D333 PolarHBondContact N-OD2 2.85Å
313	N	98	Very high	96.7	Very high	53 Å²	53	41 Å²	41	28%	0.283	23%	0.234	S	C	.	.	S	Bend	trans	-156.6	173	179.7	-150.7	-35.2	0	0	0	109.9	F292 V315 S331 W332 D333	F292-N313 WeakPolarHBondContact CB-O 3.21Å; F292-N313 VanDerWaalsContact CG-C 3.47Å; N313-V315 PolarHBondContact O-N 3.02Å; N313-S331 PolarHBondContact O-OG 3.48Å; N313-W332 HydrophobicContact CB-CB 3.89Å; N313-D333 HydrophobicContact CB-CB 4.12Å
314	R	97.5	Very high	96.6	Very high	60 Å²	60	38 Å²	38	23%	0.226	23%	0.229	C	C	.	.			trans	-51.8	134.5	-174.5	68.7	-176.8	-68.4	-156.2	14.6	112.1	T274 D290 F292 S316 S331 W332	T274-R314 VanDerWaalsContact CG2-NH2 3.33Å; D290-R314 IonicContact OD1-CZ 3.1Å; D290-R314 IonicContact OD1-NE 3.86Å; D290-R314 PolarHBondContact OD1-NE 3.36Å; D290-R314 IonicContact OD1-NH2 3.9Å; D290-R314 PolarHBondContact OD1-NH2 2.82Å; D290-R314 IonicContact OD2-CZ 3.36Å; D290-R314 IonicContact OD2-NH2 3.36Å; D290-R314 PolarHBondContact OD2-NH2 2.8Å; F292-R314 HydrophobicContact CD1-CB 4.29Å; R314-S316 PolarHBondContact O-N 3.24Å; R314-S331 VanDerWaalsContact O-CA 3.29Å; R314-S331 WeakPolarHBondContact O-CA 3.36Å; R314-S331 WeakPolarHBondContact O-CB 3.48Å; R314-S331 PolarHBondContact O-OG 3.11Å; R314-W332 VanDerWaalsContact CD-CE2 3.44Å; R314-W332 VanDerWaalsContact CD-CZ3 3.41Å; R314-W332 HydrophobicContact CG-CB 3.99Å; R314-W332 HydrophobicContact CG-CD2 3.33Å; R314-W332 HydrophobicContact CG-CE3 3.56Å; R314-W332 HydrophobicContact CG-CG 3.5Å; R314-W332 VanDerWaalsContact CG-CG 3.5Å; R314-W332 HydrophobicContact CG-CZ2 4.44Å; R314-W332 HydrophobicContact CG-CZ3 4.2Å; R314-W332 PolarHBondContact O-N 3.41Å; R314-W332 VanDerWaalsContact O-N 3.07Å
315	V	98.4	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	118.7	172.2	-179.1	0	0	0	0	105.8	T274 Y289 F292 V294 H311 N313 G330	T274-V315 VanDerWaalsContact CB-O 3.29Å; T274-V315 WeakPolarHBondContact CB-O 3.25Å; T274-V315 WeakPolarHBondContact CG2-O 3.47Å; T274-V315 PolarHBondContact OG1-O 2.9Å; Y289-V315 PolarHBondContact O-N 2.77Å; F292-V315 WeakPolarHBondContact O-CG2 3.23Å; V294-V315 HydrophobicContact CG2-CB 4.31Å; V294-V315 HydrophobicContact CG2-CG1 3.89Å; V294-V315 HydrophobicContact CG2-CG2 3.89Å; H311-V315 HydrophobicContact CB-CG2 4.39Å; N313-V315 PolarHBondContact O-N 3.02Å; V315-G330 CarbonylContact C-O 3.48Å
316	S	98	Very high	96.4	Very high	17 Å²	17	39.5 Å²	39.5	12%	0.119	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-27	-175	62	0	0	0	0	112.4	I58 Y59 R314 G330	I58-S316 WeakPolarHBondContact O-CB 3.39Å; I58-S316 PolarHBondContact O-OG 3.49Å; Y59-S316 PolarHBondContact O-OG 3.04Å; R314-S316 PolarHBondContact O-N 3.24Å; S316-G330 PolarHBondContact N-O 3.34Å; S316-G330 PolarHBondContact OG-O 3.37Å
317	C	97.8	Very high	96.4	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.068	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150	-176.3	56.1	0	0	0	0	111.7	Y59 M61 T329 G330	Y59-C317 WeakPolarHBondContact O-CB 3.3Å; M61-C317 HydrophobicContact CG-CB 4.02Å; M61-C317 WeakPolarHBondContact CG-SG 3.44Å; C317-T329 WeakPolarHBondContact O-CA 3.39Å; C317-G330 PolarHBondContact N-O 3.13Å; C317-G330 PolarHBondContact O-N 2.92Å
318	I	98	Very high	96.4	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.7	176.7	-169.4	165.9	0	0	0	109.7	L276 A277 L286 V294 C328 T329	L276-I318 VanDerWaalsContact C-CG2 3.45Å; A277-I318 HydrophobicContact CB-CG1 4.15Å; A277-I318 HydrophobicContact CB-CG2 3.87Å; L286-I318 HydrophobicContact CB-CD1 3.38Å; L286-I318 HydrophobicContact CD2-CD1 3.99Å; L286-I318 HydrophobicContact CG-CD1 4.33Å; V294-I318 HydrophobicContact CG1-CD1 3.65Å; V294-I318 HydrophobicContact CG2-CD1 4.47Å; I318-C328 CarbonylContact C-O 3.59Å; I318-C328 VanDerWaalsContact CA-O 3.32Å; I318-C328 WeakPolarHBondContact CA-O 3.41Å; I318-T329 HydrophobicContact CD1-CG2 3.96Å; I318-T329 HydrophobicContact CG1-CG2 4.03Å
319	G	96.9	Very high	96.5	Very high	12 Å²	12	36.2 Å²	36.2	12%	0.124	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	142.8	171.1	0	0	0	0	0	111.2	W63 C327 C328	W63-G319 VanDerWaalsContact CD1-C 3.48Å; W63-G319 VanDerWaalsContact NE1-C 3.29Å; W63-G319 PolarHBondContact NE1-O 2.77Å; G319-C327 CarbonylContact O-C 3.47Å; G319-C327 VanDerWaalsContact O-CA 3.31Å; G319-C327 WeakPolarHBondContact O-CA 3.37Å; G319-C328 PolarHBondContact N-O 2.95Å; G319-C328 PolarHBondContact O-N 3.45Å
320	V	96.9	Very high	96.6	Very high	32 Å²	32	32.8 Å²	32.8	19%	0.194	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.1	170.8	175	0	0	0	0	108.2	A277 L286 C327	A277-V320 HydrophobicContact CB-CB 4.47Å; A277-V320 HydrophobicContact CB-CG2 3.77Å; L286-V320 HydrophobicContact CD1-CG2 4.02Å; V320-C327 HydrophobicContact CG2-CB 3.96Å
321	S	95.5	Very high	96.7	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.028	19%	0.185	C	C	.	.			trans	-63.3	152.1	176.1	59.9	0	0	0	0	111	D323 G324 M325 A326	S321-D323 VanDerWaalsContact CB-OD1 3.27Å; S321-D323 WeakPolarHBondContact CB-OD1 3.36Å; S321-D323 PolarHBondContact O-N 2.9Å; S321-D323 VanDerWaalsContact O-N 3.16Å; S321-D323 PolarHBondContact OG-OD1 3.4Å; S321-G324 WeakPolarHBondContact O-CA 3.38Å; S321-G324 PolarHBondContact O-N 2.86Å; S321-M325 PolarHBondContact OG-N 2.78Å; S321-M325 VanDerWaalsContact OG-N 3.14Å; S321-A326 PolarHBondContact N-O 3.08Å; S321-A326 PolarHBondContact OG-N 2.87Å; S321-A326 VanDerWaalsContact OG-N 3.12Å; S321-A326 PolarHBondContact OG-O 3.35Å
322	S	91.7	Very high	96.8	Very high	68 Å²	68	33.5 Å²	33.5	48%	0.476	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	-176.9	49.1	0	0	0	0	114.1	T65 T67	T65-S322 PolarHBondContact O-OG 2.98Å; T67-S322 WeakPolarHBondContact CG2-OG 3.33Å
323	D	93.7	Very high	96.8	Very high	62 Å²	62	28.3 Å²	28.3	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.3	171.7	61.4	5.3	0	0	0	113.8	T67 S321 M325	T67-D323 WeakPolarHBondContact CB-OD2 3.11Å; T67-D323 HydrophobicContact CG2-CB 3.74Å; T67-D323 WeakPolarHBondContact CG2-OD2 3.29Å; T67-D323 PolarHBondContact OG1-OD2 3.4Å; S321-D323 VanDerWaalsContact CB-OD1 3.27Å; S321-D323 WeakPolarHBondContact CB-OD1 3.36Å; S321-D323 PolarHBondContact O-N 2.9Å; S321-D323 VanDerWaalsContact O-N 3.16Å; S321-D323 PolarHBondContact OG-OD1 3.4Å; D323-M325 HydrophobicContact CB-CG 4.16Å; D323-M325 VanDerWaalsContact CG-CG 3.42Å; D323-M325 PolarHBondContact O-N 3.39Å; D323-M325 WeakPolarHBondContact OD1-CB 3.43Å; D323-M325 PolarHBondContact OD1-N 3.29Å; D323-M325 WeakPolarHBondContact OD2-CG 3.45Å
324	G	94.1	Very high	96.8	Very high	35 Å²	35	26.9 Å²	26.9	36%	0.361	16%	0.157	S	C	.	.	S	Bend	trans	70	8.5	-177	0	0	0	0	0	115.2	S321	S321-G324 WeakPolarHBondContact O-CA 3.38Å; S321-G324 PolarHBondContact O-N 2.86Å
325	M	94.3	Very high	96.8	Very high	135 Å²	135	27.3 Å²	27.3	67%	0.665	16%	0.161	S	C	*	.	S	Bend	trans	-73.5	-25.8	-175.3	-72.7	-70.7	175.7	0	0	114.3	S321 D323 N340	S321-M325 PolarHBondContact OG-N 2.78Å; S321-M325 VanDerWaalsContact OG-N 3.14Å; D323-M325 HydrophobicContact CB-CG 4.16Å; D323-M325 VanDerWaalsContact CG-CG 3.42Å; D323-M325 PolarHBondContact O-N 3.39Å; D323-M325 WeakPolarHBondContact OD1-CB 3.43Å; D323-M325 PolarHBondContact OD1-N 3.29Å; D323-M325 WeakPolarHBondContact OD2-CG 3.45Å; M325-N340 WeakPolarHBondContact O-CB 3.29Å
326	A	95.4	Very high	96.8	Very high	17 Å²	17	27.3 Å²	27.3	14%	0.14	16%	0.161	C	C	.	.			trans	-148	155.5	-180	0	0	0	0	0	111.7	S321 I338 W339	S321-A326 PolarHBondContact N-O 3.08Å; S321-A326 PolarHBondContact OG-N 2.87Å; S321-A326 VanDerWaalsContact OG-N 3.12Å; S321-A326 PolarHBondContact OG-O 3.35Å; A326-I338 HydrophobicContact CB-CG2 3.8Å; A326-W339 WeakPolarHBondContact CA-O 3.42Å
327	C	96.5	Very high	96.8	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.034	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.2	161.8	71.7	0	0	0	0	110.5	L286 G319 V320 I338 W339	L286-C327 HydrophobicContact CD2-CB 3.97Å; L286-C327 VanDerWaalsContact CD2-SG 3.58Å; G319-C327 CarbonylContact O-C 3.47Å; G319-C327 VanDerWaalsContact O-CA 3.31Å; G319-C327 WeakPolarHBondContact O-CA 3.37Å; V320-C327 HydrophobicContact CG2-CB 3.96Å; C327-I338 CarbonylContact O-C 3.59Å; C327-I338 WeakPolarHBondContact O-CA 2.86Å; C327-W339 PolarHBondContact N-O 2.65Å; C327-W339 PolarHBondContact O-N 3.2Å
328	C	97.9	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133	174	-174.7	0	0	0	0	109	M61 W63 I318 G319 K337 I338	M61-C328 HydrophobicContact CE-CB 3.46Å; M61-C328 VanDerWaalsContact CE-CB 3.46Å; M61-C328 VanDerWaalsContact CE-SG 3.54Å; M61-C328 HydrophobicContact SD-CB 4.22Å; W63-C328 HydrophobicContact CZ2-CB 3.53Å; I318-C328 CarbonylContact C-O 3.59Å; I318-C328 VanDerWaalsContact CA-O 3.32Å; I318-C328 WeakPolarHBondContact CA-O 3.41Å; G319-C328 PolarHBondContact N-O 2.95Å; G319-C328 PolarHBondContact O-N 3.45Å; C328-K337 CarbonylContact C-O 3.53Å; C328-K337 VanDerWaalsContact CA-O 3.3Å; C328-K337 WeakPolarHBondContact CA-O 3.31Å; C328-I338 HydrophobicContact CB-CD1 3.57Å; C328-I338 VanDerWaalsContact SG-CD1 3.52Å
329	T	98.5	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.4	172.7	58.4	0	0	0	0	108.9	V294 H311 C317 I318 L336 K337 W339	V294-T329 HydrophobicContact CG2-CG2 3.79Å; H311-T329 PolarHBondContact NE2-OG1 2.59Å; C317-T329 WeakPolarHBondContact O-CA 3.39Å; I318-T329 HydrophobicContact CD1-CG2 3.96Å; I318-T329 HydrophobicContact CG1-CG2 4.03Å; T329-L336 CarbonylContact O-C 3.54Å; T329-L336 WeakPolarHBondContact O-CA 3.29Å; T329-K337 PolarHBondContact N-O 3.42Å; T329-K337 PolarHBondContact O-N 3.41Å; T329-W339 PolarHBondContact OG1-NE1 3.08Å
330	G	98.4	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145	171.2	0	0	0	0	0	110.3	V315 S316 C317	V315-G330 CarbonylContact C-O 3.48Å; S316-G330 PolarHBondContact N-O 3.34Å; S316-G330 PolarHBondContact OG-O 3.37Å; C317-G330 PolarHBondContact N-O 3.13Å; C317-G330 PolarHBondContact O-N 2.92Å
331	S	98.6	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.5	-174.8	167.5	0	0	0	0	112.1	I58 H311 N313 R314 D333 S334 F335	I58-S331 WeakPolarHBondContact CB-O 3.22Å; I58-S331 PolarHBondContact N-O 3.44Å; H311-S331 VanDerWaalsContact CG-CB 3.46Å; H311-S331 WeakPolarHBondContact ND1-CB 3.32Å; N313-S331 PolarHBondContact O-OG 3.48Å; R314-S331 VanDerWaalsContact O-CA 3.29Å; R314-S331 WeakPolarHBondContact O-CA 3.36Å; R314-S331 WeakPolarHBondContact O-CB 3.48Å; R314-S331 PolarHBondContact O-OG 3.11Å; S331-D333 WeakPolarHBondContact CB-OD1 3.48Å; S331-D333 PolarHBondContact O-N 3.25Å; S331-D333 PolarHBondContact OG-N 3.01Å; S331-D333 VanDerWaalsContact OG-N 3.17Å; S331-D333 PolarHBondContact OG-OD1 2.92Å; S331-S334 PolarHBondContact O-N 3.47Å; S331-F335 PolarHBondContact N-O 3.16Å
332	W	98.4	Very high	96.6	Very high	48 Å²	48	33.3 Å²	33.3	18%	0.182	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.1	170	-76.7	16.8	0	0	0	114.2	K57 I58 Y59 N313 R314 S334	K57-W332 HydrophobicContact CB-CB 4.22Å; K57-W332 HydrophobicContact CB-CD2 4.48Å; K57-W332 HydrophobicContact CB-CG 3.93Å; K57-W332 HydrophobicContact CD-CB 4.33Å; K57-W332 HydrophobicContact CD-CD2 3.65Å; K57-W332 HydrophobicContact CD-CE3 3.91Å; K57-W332 HydrophobicContact CD-CG 3.89Å; K57-W332 HydrophobicContact CD-CZ3 4.47Å; K57-W332 HydrophobicContact CG-CB 3.91Å; K57-W332 HydrophobicContact CG-CD2 4.17Å; K57-W332 HydrophobicContact CG-CG 3.85Å; I58-W332 VanDerWaalsContact O-CD1 3.26Å; Y59-W332 HydrophobicContact CE2-CZ2 4.31Å; Y59-W332 AromaticContact CE2-NE1 3.71Å; Y59-W332 AromaticContact CZ-CZ2 3.86Å; Y59-W332 AromaticContact CZ-NE1 3.98Å; Y59-W332 WeakPolarHBondContact OH-CZ2 3.46Å; N313-W332 HydrophobicContact CB-CB 3.89Å; R314-W332 VanDerWaalsContact CD-CE2 3.44Å; R314-W332 VanDerWaalsContact CD-CZ3 3.41Å; R314-W332 HydrophobicContact CG-CB 3.99Å; R314-W332 HydrophobicContact CG-CD2 3.33Å; R314-W332 HydrophobicContact CG-CE3 3.56Å; R314-W332 HydrophobicContact CG-CG 3.5Å; R314-W332 VanDerWaalsContact CG-CG 3.5Å; R314-W332 HydrophobicContact CG-CZ2 4.44Å; R314-W332 HydrophobicContact CG-CZ3 4.2Å; R314-W332 PolarHBondContact O-N 3.41Å; R314-W332 VanDerWaalsContact O-N 3.07Å; W332-S334 PolarHBondContact O-N 3.32Å
333	D	97.8	Very high	96.8	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.107	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.9	169.4	70.9	7.4	0	0	0	113.8	H311 D312 N313 S331 F335	H311-D333 WeakPolarHBondContact CA-OD2 3.16Å; H311-D333 WeakPolarHBondContact CB-OD2 3.35Å; H311-D333 IonicContact CE1-OD1 3.75Å; H311-D333 IonicContact CE1-OD2 2.71Å; H311-D333 IonicContact CG-OD2 3.07Å; H311-D333 IonicContact ND1-OD1 3.78Å; H311-D333 PolarHBondContact ND1-OD1 3.24Å; H311-D333 IonicContact ND1-OD2 3.96Å; H311-D333 PolarHBondContact ND1-OD2 2.97Å; D312-D333 HydrophobicContact CB-CB 4.4Å; D312-D333 PolarHBondContact N-OD2 2.85Å; N313-D333 HydrophobicContact CB-CB 4.12Å; S331-D333 WeakPolarHBondContact CB-OD1 3.48Å; S331-D333 PolarHBondContact O-N 3.25Å; S331-D333 PolarHBondContact OG-N 3.01Å; S331-D333 VanDerWaalsContact OG-N 3.17Å; S331-D333 PolarHBondContact OG-OD1 2.92Å; D333-F335 VanDerWaalsContact C-N 3.27Å; D333-F335 HydrophobicContact CB-CD2 4.16Å; D333-F335 VanDerWaalsContact O-CD2 3.27Å; D333-F335 WeakPolarHBondContact O-CD2 3.34Å; D333-F335 WeakPolarHBondContact O-CE2 3.36Å; D333-F335 PolarHBondContact O-N 2.89Å; D333-F335 WeakPolarHBondContact OD1-CB 3.22Å; D333-F335 PolarHBondContact OD1-N 3.03Å
334	S	97.9	Very high	97	Very high	23 Å²	23	29.5 Å²	29.5	16%	0.161	16%	0.159	C	C	.	.	S	Bend	trans	72.8	10.4	-179.7	-38	0	0	0	0	114.9	A56 S331 W332	A56-S334 WeakPolarHBondContact O-CA 3.38Å; A56-S334 VanDerWaalsContact O-CB 3.24Å; A56-S334 WeakPolarHBondContact O-CB 3.31Å; A56-S334 PolarHBondContact O-OG 2.99Å; S331-S334 PolarHBondContact O-N 3.47Å; W332-S334 PolarHBondContact O-N 3.32Å
335	F	98.1	Very high	97.2	Very high	70 Å²	70	29.2 Å²	29.2	31%	0.307	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.4	177.3	-59.1	-67.2	0	0	0	112.3	T50 R52 I58 H311 S331 D333	T50-F335 HydrophobicContact CG2-CB 4.22Å; T50-F335 HydrophobicContact CG2-CD1 4.08Å; T50-F335 HydrophobicContact CG2-CG 4.32Å; R52-F335 HydrophobicContact CB-CE1 4.45Å; R52-F335 HydrophobicContact CG-CD1 3.91Å; R52-F335 HydrophobicContact CG-CE1 3.85Å; I58-F335 VanDerWaalsContact CD1-C 3.49Å; I58-F335 WeakPolarHBondContact CD1-O 3.39Å; H311-F335 PolarHBondContact CE1-O 3.4Å; S331-F335 PolarHBondContact N-O 3.16Å; D333-F335 VanDerWaalsContact C-N 3.27Å; D333-F335 HydrophobicContact CB-CD2 4.16Å; D333-F335 VanDerWaalsContact O-CD2 3.27Å; D333-F335 WeakPolarHBondContact O-CD2 3.34Å; D333-F335 WeakPolarHBondContact O-CE2 3.36Å; D333-F335 PolarHBondContact O-N 2.89Å; D333-F335 WeakPolarHBondContact OD1-CB 3.22Å; D333-F335 PolarHBondContact OD1-N 3.03Å
336	L	98.3	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140	158.9	-58.5	94.6	0	0	0	109.9	T50 L51 I58 M61 W82 T329	T50-L336 CarbonylContact C-O 3.54Å; T50-L336 WeakPolarHBondContact CA-O 3.21Å; L51-L336 HydrophobicContact CB-CB 4.06Å; L51-L336 HydrophobicContact CB-CD1 4.43Å; L51-L336 HydrophobicContact CD1-CB 4.03Å; L51-L336 HydrophobicContact CG-CB 4.25Å; L51-L336 PolarHBondContact N-O 3.22Å; L51-L336 PolarHBondContact O-N 3.35Å; I58-L336 HydrophobicContact CD1-CD1 3.45Å; I58-L336 VanDerWaalsContact CD1-CD1 3.45Å; I58-L336 HydrophobicContact CD1-CG 3.84Å; I58-L336 HydrophobicContact CG1-CD1 4.42Å; M61-L336 HydrophobicContact CB-CD2 3.89Å; M61-L336 HydrophobicContact CG-CD2 4.37Å; W82-L336 HydrophobicContact CZ2-CD1 4.32Å; T329-L336 CarbonylContact O-C 3.54Å; T329-L336 WeakPolarHBondContact O-CA 3.29Å
337	K	98.3	Very high	97.5	Very high	36 Å²	36	22.5 Å²	22.5	16%	0.157	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132	178.2	-66.8	-172.8	-177.1	-144.2	0	110.1	T47 K49 T50 G310 C328 T329 W339	T47-K337 HydrophobicContact CG2-CB 4.05Å; T47-K337 HydrophobicContact CG2-CD 4.17Å; T47-K337 HydrophobicContact CG2-CG 4.17Å; K49-K337 WeakPolarHBondContact O-CA 3.43Å; T50-K337 HydrophobicContact CG2-CG 4.43Å; G310-K337 WeakPolarHBondContact O-CE 3.44Å; G310-K337 PolarHBondContact O-NZ 2.73Å; C328-K337 CarbonylContact C-O 3.53Å; C328-K337 VanDerWaalsContact CA-O 3.3Å; C328-K337 WeakPolarHBondContact CA-O 3.31Å; T329-K337 PolarHBondContact N-O 3.42Å; T329-K337 PolarHBondContact O-N 3.41Å; K337-W339 HydrophobicContact CB-CZ2 3.92Å; K337-W339 HydrophobicContact CD-CH2 4.44Å; K337-W339 HydrophobicContact CD-CZ2 3.95Å; K337-W339 PolarHBondContact O-NE1 3.26Å
338	I	97.9	Very high	97.6	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.046	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.1	174.2	-51.5	-62.1	0	0	0	108.4	R48 K49 L51 W63 T84 A326 C327 C328	R48-I338 PolarHBondContact N-O 2.77Å; K49-I338 HydrophobicContact CB-CB 4.04Å; K49-I338 HydrophobicContact CB-CG1 4.05Å; K49-I338 PolarHBondContact N-O 2.97Å; K49-I338 PolarHBondContact O-N 2.96Å; L51-I338 HydrophobicContact CD1-CD1 4.44Å; W63-I338 HydrophobicContact CH2-CD1 3.95Å; W63-I338 HydrophobicContact CZ2-CD1 3.95Å; T84-I338 HydrophobicContact CG2-CD1 4.05Å; A326-I338 HydrophobicContact CB-CG2 3.8Å; C327-I338 CarbonylContact O-C 3.59Å; C327-I338 WeakPolarHBondContact O-CA 2.86Å; C328-I338 HydrophobicContact CB-CD1 3.57Å; C328-I338 VanDerWaalsContact SG-CD1 3.52Å
339	W	97.6	Very high	97.6	Very high	9 Å²	9	25.8 Å²	25.8	3%	0.034	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.4	-177.3	-43.1	78.1	0	0	0	111.1	L45 K46 T47 L308 A326 C327 T329 K337	L45-W339 HydrophobicContact CB-CB 4.01Å; L45-W339 HydrophobicContact CD1-CB 4.25Å; K46-W339 WeakPolarHBondContact O-CA 3.41Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.49Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.33Å; L308-W339 HydrophobicContact CB-CD2 4.31Å; L308-W339 HydrophobicContact CB-CE3 4.19Å; L308-W339 HydrophobicContact CB-CH2 3.98Å; L308-W339 HydrophobicContact CB-CZ2 4.11Å; L308-W339 HydrophobicContact CB-CZ3 4.02Å; L308-W339 HydrophobicContact CD1-CB 4.49Å; L308-W339 HydrophobicContact CD1-CD2 4.01Å; L308-W339 HydrophobicContact CD1-CE3 4.44Å; L308-W339 HydrophobicContact CD1-CG 4.01Å; L308-W339 HydrophobicContact CD2-CD2 4.36Å; L308-W339 HydrophobicContact CD2-CE3 3.97Å; L308-W339 HydrophobicContact CD2-CZ3 4.36Å; L308-W339 HydrophobicContact CG-CD2 4.47Å; L308-W339 HydrophobicContact CG-CE3 4.44Å; A326-W339 WeakPolarHBondContact CA-O 3.42Å; C327-W339 PolarHBondContact N-O 2.65Å; C327-W339 PolarHBondContact O-N 3.2Å; T329-W339 PolarHBondContact OG1-NE1 3.08Å; K337-W339 HydrophobicContact CB-CZ2 3.92Å; K337-W339 HydrophobicContact CD-CH2 4.44Å; K337-W339 HydrophobicContact CD-CZ2 3.95Å; K337-W339 PolarHBondContact O-NE1 3.26Å
340	N	91.6	Very high	97.5	Very high	95 Å²	95	28.2 Å²	28.2	51%	0.508	14%	0.136	S	C	.	.			trans	-160.8	0	162.8	72.1	14.7	0	0	0	111.4	K46 R48 M325	K46-N340 PolarHBondContact N-O 2.99Å; K46-N340 PolarHBondContact O-N 3.41Å; R48-N340 WeakPolarHBondContact CD-OD1 3.37Å; R48-N340 WeakPolarHBondContact CG-OD1 3.42Å; R48-N340 PolarHBondContact NE-O 2.84Å; R48-N340 PolarHBondContact NE-OD1 3.38Å; R48-N340 PolarHBondContact NH2-O 2.86Å; M325-N340 WeakPolarHBondContact O-CB 3.29Å

Retrieved 340 of 340 residues in 1319.3 ms (Link to these results)

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