A0A077Z0D5_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0D5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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	53.5	Low	55.3	Low	221 Å²	221	115.3 Å²	115.3	100%	1.089	64%	0.637	S	S	*	*				0	46.9	0	-142	170.1	96.3	0	0	111.3
2	Y	52.4	Low	55.7	Low	210 Å²	210	114.9 Å²	114.9	82%	0.824	63%	0.632	S	S	*	*			trans	-118.9	-4.6	-175.9	-77.9	-81.6	0	0	0	113.6
3	G	52	Low	56.3	Low	54 Å²	54	112.5 Å²	112.5	56%	0.557	62%	0.622	S	S	*	*	H	α-helix	trans	-75.7	-26.7	-178.3	0	0	0	0	0	114.7
4	Y	52.7	Low	56.9	Low	208 Å²	208	108.6 Å²	108.6	82%	0.816	61%	0.607	S	S	*	*	H	α-helix	trans	-75.9	-26.6	-176.1	-75.9	-80.4	0	0	0	113.8	A8	Y4-A8 PolarHBondContact O-N 2.95Å
5	L	48.7	Very low	57.3	Low	131 Å²	131	104.7 Å²	104.7	69%	0.686	59%	0.594	S	S	*	*	H	α-helix	trans	-74.5	-33.3	178.7	-85.7	153.3	0	0	0	112.7	S9	L5-S9 PolarHBondContact O-N 2.75Å; L5-S9 PolarHBondContact O-OG 3.01Å
6	A	53.1	Low	57.4	Low	53 Å²	53	108.4 Å²	108.4	44%	0.438	60%	0.596	S	S	.	*	H	α-helix	trans	-73.4	-27.3	178.9	0	0	0	0	0	113.2	S9 N10	A6-S9 PolarHBondContact O-OG 2.99Å; A6-S9 VanDerWaalsContact O-OG 3.06Å; A6-N10 PolarHBondContact O-N 3.15Å; A6-N10 PolarHBondContact O-ND2 2.98Å
7	V	56.5	Low	57.7	Low	101 Å²	101	107.6 Å²	107.6	61%	0.612	59%	0.591	S	S	*	*	H	α-helix	trans	-76.7	-36.3	176.9	-178.9	0	0	0	0	110.9	A11	V7-A11 PolarHBondContact O-N 2.99Å
8	A	56.9	Low	58	Low	52 Å²	52	109.2 Å²	109.2	43%	0.43	59%	0.591	S	S	.	*	H	α-helix	trans	-67.8	-39	177.7	0	0	0	0	0	112.9	Y4 A11 L12	Y4-A8 PolarHBondContact O-N 2.95Å; A8-A11 PolarHBondContact O-N 3.09Å; A8-L12 PolarHBondContact O-N 2.99Å; A8-L12 VanDerWaalsContact O-N 3.11Å
9	S	59.9	Low	58.1	Low	60 Å²	60	110.1 Å²	110.1	42%	0.42	59%	0.592	S	S	.	*	H	α-helix	trans	-67.1	-40.8	177.8	58.2	0	0	0	0	112.4	L5 A6 A11 L12 V13	L5-S9 PolarHBondContact O-N 2.75Å; L5-S9 PolarHBondContact O-OG 3.01Å; A6-S9 PolarHBondContact O-OG 2.99Å; A6-S9 VanDerWaalsContact O-OG 3.06Å; S9-A11 PolarHBondContact O-N 2.96Å; S9-L12 PolarHBondContact O-N 2.99Å; S9-V13 WeakPolarHBondContact O-CG2 3.45Å; S9-V13 PolarHBondContact O-N 2.98Å
10	N	61.5	Low	58.3	Low	116 Å²	116	108.2 Å²	108.2	62%	0.62	58%	0.581	S	S	*	*	H	α-helix	trans	-66.8	-35.3	176.9	-75.5	-23.3	0	0	0	112.7	A6 S14	A6-N10 PolarHBondContact O-N 3.15Å; A6-N10 PolarHBondContact O-ND2 2.98Å; N10-S14 WeakPolarHBondContact O-CB 3.44Å; N10-S14 PolarHBondContact O-N 2.7Å; N10-S14 VanDerWaalsContact O-N 3.09Å
11	A	61.5	Low	58.3	Low	62 Å²	62	111.5 Å²	111.5	51%	0.512	59%	0.586	S	S	.	*	H	α-helix	trans	-67.9	-40.9	175.1	0	0	0	0	0	112.3	V7 A8 S9 S14 A15	V7-A11 PolarHBondContact O-N 2.99Å; A8-A11 PolarHBondContact O-N 3.09Å; S9-A11 PolarHBondContact O-N 2.96Å; A11-S14 PolarHBondContact O-N 2.96Å; A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 3.13Å
12	L	59.5	Low	58.5	Low	111 Å²	111	108.2 Å²	108.2	58%	0.581	57%	0.566	S	S	*	*	H	α-helix	trans	-65.8	-42.8	177.2	-85.9	158.6	0	0	0	112.5	A8 S9 A15 W16	A8-L12 PolarHBondContact O-N 2.99Å; A8-L12 VanDerWaalsContact O-N 3.11Å; S9-L12 PolarHBondContact O-N 2.99Å; L12-A15 PolarHBondContact O-N 3.09Å; L12-W16 WeakPolarHBondContact O-CB 3.29Å; L12-W16 PolarHBondContact O-N 3.17Å
13	V	63.8	Low	58.8	Low	83 Å²	83	102.2 Å²	102.2	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-39.3	176.9	174.2	0	0	0	0	111.3	S9 W16 N17	S9-V13 WeakPolarHBondContact O-CG2 3.45Å; S9-V13 PolarHBondContact O-N 2.98Å; V13-W16 PolarHBondContact O-N 2.9Å; V13-N17 WeakPolarHBondContact O-CB 3.33Å; V13-N17 PolarHBondContact O-N 2.95Å
14	S	64.5	Low	58.9	Low	58 Å²	58	106.4 Å²	106.4	41%	0.406	55%	0.554	S	S	.	*	H	α-helix	trans	-64.2	-42.2	174.9	-177	0	0	0	0	112.3	N10 A11 N17 K18	N10-S14 WeakPolarHBondContact O-CB 3.44Å; N10-S14 PolarHBondContact O-N 2.7Å; N10-S14 VanDerWaalsContact O-N 3.09Å; A11-S14 PolarHBondContact O-N 2.96Å; S14-N17 PolarHBondContact O-N 2.78Å; S14-K18 WeakPolarHBondContact O-CG 3.31Å; S14-K18 PolarHBondContact O-N 3.15Å
15	A	63.4	Low	59.1	Low	50 Å²	50	101.7 Å²	101.7	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-65.3	-41.2	176.2	0	0	0	0	0	112.3	A11 L12 K18 M19	A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 3.13Å; L12-A15 PolarHBondContact O-N 3.09Å; A15-K18 PolarHBondContact O-N 3.06Å; A15-M19 WeakPolarHBondContact O-CB 3.38Å; A15-M19 PolarHBondContact O-N 2.95Å
16	W	59	Low	59.5	Low	165 Å²	165	98.1 Å²	98.1	63%	0.625	53%	0.532	S	S	*	.	H	α-helix	trans	-64.6	-45.2	175.6	-92.8	69	0	0	0	112.5	L12 V13 K18 M19 I20	L12-W16 WeakPolarHBondContact O-CB 3.29Å; L12-W16 PolarHBondContact O-N 3.17Å; V13-W16 PolarHBondContact O-N 2.9Å; W16-K18 VanDerWaalsContact C-N 3.32Å; W16-K18 PolarHBondContact O-N 2.79Å; W16-M19 PolarHBondContact O-N 2.88Å; W16-I20 HydrophobicContact CE3-CD1 4.38Å; W16-I20 VanDerWaalsContact O-CG1 3.31Å; W16-I20 WeakPolarHBondContact O-CG1 3.45Å; W16-I20 PolarHBondContact O-N 2.93Å
17	N	62.7	Low	59.5	Low	95 Å²	95	102.8 Å²	102.8	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-62.6	-38.5	176.5	-80	-19.2	0	0	0	112.1	V13 S14 Y21	V13-N17 WeakPolarHBondContact O-CB 3.33Å; V13-N17 PolarHBondContact O-N 2.95Å; S14-N17 PolarHBondContact O-N 2.78Å; N17-Y21 WeakPolarHBondContact O-CB 3.06Å; N17-Y21 PolarHBondContact O-N 2.93Å
18	K	62.7	Low	59.3	Low	136 Å²	136	102.9 Å²	102.9	59%	0.591	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-44.7	172.9	-75.6	179.5	-179.6	-176.4	0	111.8	S14 A15 W16 I20 Y21 F22	S14-K18 WeakPolarHBondContact O-CG 3.31Å; S14-K18 PolarHBondContact O-N 3.15Å; A15-K18 PolarHBondContact O-N 3.06Å; W16-K18 VanDerWaalsContact C-N 3.32Å; W16-K18 PolarHBondContact O-N 2.79Å; K18-I20 PolarHBondContact O-N 3.43Å; K18-Y21 PolarHBondContact O-N 3.27Å; K18-F22 WeakPolarHBondContact O-CD2 3.39Å; K18-F22 PolarHBondContact O-N 2.75Å
19	M	59.4	Low	59	Low	126 Å²	126	103.8 Å²	103.8	62%	0.621	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-39.9	179.7	-163.7	-173.5	-64.2	0	0	112.2	A15 W16 F22 T23	A15-M19 WeakPolarHBondContact O-CB 3.38Å; A15-M19 PolarHBondContact O-N 2.95Å; W16-M19 PolarHBondContact O-N 2.88Å; M19-F22 PolarHBondContact O-N 2.68Å; M19-T23 PolarHBondContact O-N 2.84Å; M19-T23 PolarHBondContact O-OG1 3.33Å
20	I	62.7	Low	58.5	Low	71 Å²	71	103.2 Å²	103.2	36%	0.364	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-40.2	174.7	-66.4	166.5	0	0	0	111	W16 K18 T23 K24	W16-I20 HydrophobicContact CE3-CD1 4.38Å; W16-I20 VanDerWaalsContact O-CG1 3.31Å; W16-I20 WeakPolarHBondContact O-CG1 3.45Å; W16-I20 PolarHBondContact O-N 2.93Å; K18-I20 PolarHBondContact O-N 3.43Å; I20-T23 WeakPolarHBondContact CA-OG1 3.49Å; I20-T23 PolarHBondContact O-OG1 3.4Å; I20-T23 VanDerWaalsContact O-OG1 3.1Å; I20-K24 HydrophobicContact CG2-CD 4.26Å; I20-K24 WeakPolarHBondContact O-CB 3.35Å; I20-K24 WeakPolarHBondContact O-CG 3.31Å; I20-K24 PolarHBondContact O-N 3.01Å
21	Y	57.2	Low	57.9	Low	178 Å²	178	102.1 Å²	102.1	70%	0.698	53%	0.532	S	S	*	.	H	α-helix	trans	-63.6	-45.2	175	-111.8	-88.2	0	0	0	111.8	N17 K18 K24 L25	N17-Y21 WeakPolarHBondContact O-CB 3.06Å; N17-Y21 PolarHBondContact O-N 2.93Å; K18-Y21 PolarHBondContact O-N 3.27Å; Y21-K24 PolarHBondContact O-N 3.05Å; Y21-L25 WeakPolarHBondContact O-CB 3.37Å; Y21-L25 PolarHBondContact O-N 2.84Å
22	F	57.8	Low	57	Low	153 Å²	153	102.9 Å²	102.9	67%	0.671	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-42.2	178	-94.7	-80.9	0	0	0	112.5	K18 M19 L25 A26	K18-F22 WeakPolarHBondContact O-CD2 3.39Å; K18-F22 PolarHBondContact O-N 2.75Å; M19-F22 PolarHBondContact O-N 2.68Å; F22-L25 PolarHBondContact O-N 2.91Å; F22-A26 VanDerWaalsContact O-CB 3.31Å; F22-A26 WeakPolarHBondContact O-CB 3.49Å; F22-A26 PolarHBondContact O-N 3.01Å
23	T	60.4	Low	56.3	Low	84 Å²	84	103.6 Å²	103.6	52%	0.515	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-40.3	176.5	35.4	0	0	0	0	112	M19 I20 F27	M19-T23 PolarHBondContact O-N 2.84Å; M19-T23 PolarHBondContact O-OG1 3.33Å; I20-T23 WeakPolarHBondContact CA-OG1 3.49Å; I20-T23 PolarHBondContact O-OG1 3.4Å; I20-T23 VanDerWaalsContact O-OG1 3.1Å; T23-F27 WeakPolarHBondContact O-CB 3.4Å; T23-F27 PolarHBondContact O-N 3.01Å
24	K	53.6	Low	55.2	Low	141 Å²	141	105.2 Å²	105.2	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-40.6	174	-76.3	-175.2	177.1	-173.6	0	112.7	I20 Y21 F27 L28	I20-K24 HydrophobicContact CG2-CD 4.26Å; I20-K24 WeakPolarHBondContact O-CB 3.35Å; I20-K24 WeakPolarHBondContact O-CG 3.31Å; I20-K24 PolarHBondContact O-N 3.01Å; Y21-K24 PolarHBondContact O-N 3.05Å; K24-F27 PolarHBondContact O-N 2.98Å; K24-L28 PolarHBondContact O-N 3.37Å
25	L	56.5	Low	54	Low	110 Å²	110	106.7 Å²	106.7	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-66.6	-41.8	178.5	-151.3	80.9	0	0	0	111.1	Y21 F22 F27 L28 T29	Y21-L25 WeakPolarHBondContact O-CB 3.37Å; Y21-L25 PolarHBondContact O-N 2.84Å; F22-L25 PolarHBondContact O-N 2.91Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 3.23Å; L25-T29 WeakPolarHBondContact O-CG2 3.45Å; L25-T29 PolarHBondContact O-N 3.33Å; L25-T29 PolarHBondContact O-OG1 3.28Å; L25-T29 VanDerWaalsContact O-OG1 3.07Å
26	A	56.8	Low	53	Low	56 Å²	56	109.3 Å²	109.3	46%	0.463	55%	0.549	S	S	.	.	H	α-helix	trans	-64.4	-36.8	174.5	0	0	0	0	0	112.5	F22 T29 A30	F22-A26 VanDerWaalsContact O-CB 3.31Å; F22-A26 WeakPolarHBondContact O-CB 3.49Å; F22-A26 PolarHBondContact O-N 3.01Å; A26-T29 WeakPolarHBondContact CA-OG1 3.3Å; A26-T29 PolarHBondContact O-OG1 3.47Å; A26-T29 VanDerWaalsContact O-OG1 3.05Å; A26-A30 VanDerWaalsContact O-CB 3.27Å; A26-A30 WeakPolarHBondContact O-CB 3.03Å; A26-A30 PolarHBondContact O-N 3.01Å
27	F	54.1	Low	52	Low	150 Å²	150	102.8 Å²	102.8	66%	0.658	53%	0.532	S	S	*	.	H	α-helix	trans	-68.5	-41.3	173.9	-125.2	-95.3	0	0	0	111.6	T23 K24 L25 A30 I31	T23-F27 WeakPolarHBondContact O-CB 3.4Å; T23-F27 PolarHBondContact O-N 3.01Å; K24-F27 PolarHBondContact O-N 2.98Å; L25-F27 VanDerWaalsContact C-N 3.34Å; F27-A30 PolarHBondContact O-N 3.1Å; F27-I31 HydrophobicContact CD1-CD1 3.89Å; F27-I31 WeakPolarHBondContact O-CB 3.48Å; F27-I31 VanDerWaalsContact O-CG1 3.22Å; F27-I31 WeakPolarHBondContact O-CG1 3.12Å; F27-I31 PolarHBondContact O-N 2.82Å
28	L	51.1	Low	51.3	Low	104 Å²	104	101.3 Å²	101.3	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-65	-44.2	176.4	-115.3	99.2	0	0	0	111.8	K24 L25 A30 I31 I32	K24-L28 PolarHBondContact O-N 3.37Å; L25-L28 PolarHBondContact O-N 3.23Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-I31 PolarHBondContact O-N 2.92Å; L28-I32 HydrophobicContact CD2-CD1 4.29Å; L28-I32 WeakPolarHBondContact O-CB 3.39Å; L28-I32 WeakPolarHBondContact O-CD1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.43Å
29	T	51.2	Low	51	Low	70 Å²	70	98.8 Å²	98.8	43%	0.429	51%	0.513	S	S	.	.	H	α-helix	trans	-65	-40.2	177.2	49.4	0	0	0	0	111.3	L25 A26 I31 I32 H33	L25-T29 WeakPolarHBondContact O-CG2 3.45Å; L25-T29 PolarHBondContact O-N 3.33Å; L25-T29 PolarHBondContact O-OG1 3.28Å; L25-T29 VanDerWaalsContact O-OG1 3.07Å; A26-T29 WeakPolarHBondContact CA-OG1 3.3Å; A26-T29 PolarHBondContact O-OG1 3.47Å; A26-T29 VanDerWaalsContact O-OG1 3.05Å; T29-I31 PolarHBondContact O-N 3.02Å; T29-I32 PolarHBondContact O-N 3.06Å; T29-H33 WeakPolarHBondContact O-CB 3.1Å; T29-H33 PolarHBondContact O-N 3.17Å; T29-H33 PolarHBondContact O-ND1 3.06Å
30	A	48.6	Very low	50.8	Low	49 Å²	49	92.9 Å²	92.9	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-41.8	173.8	0	0	0	0	0	112.4	A26 F27 L28 H33 L34	A26-A30 VanDerWaalsContact O-CB 3.27Å; A26-A30 WeakPolarHBondContact O-CB 3.03Å; A26-A30 PolarHBondContact O-N 3.01Å; F27-A30 PolarHBondContact O-N 3.1Å; L28-A30 VanDerWaalsContact C-N 3.35Å; A30-H33 PolarHBondContact O-N 2.97Å; A30-L34 WeakPolarHBondContact O-CB 3.24Å; A30-L34 WeakPolarHBondContact O-CD1 3.39Å; A30-L34 WeakPolarHBondContact O-CG 2.96Å; A30-L34 PolarHBondContact O-N 3.15Å
31	I	49.5	Very low	50.3	Low	93 Å²	93	89.7 Å²	89.7	48%	0.477	47%	0.468	S	S	.	.	H	α-helix	trans	-68.3	-38.3	176.1	-68.9	167.2	0	0	0	111.4	F27 L28 T29 L34 S35	F27-I31 HydrophobicContact CD1-CD1 3.89Å; F27-I31 WeakPolarHBondContact O-CB 3.48Å; F27-I31 VanDerWaalsContact O-CG1 3.22Å; F27-I31 WeakPolarHBondContact O-CG1 3.12Å; F27-I31 PolarHBondContact O-N 2.82Å; L28-I31 PolarHBondContact O-N 2.92Å; T29-I31 PolarHBondContact O-N 3.02Å; I31-L34 PolarHBondContact O-N 3.36Å; I31-S35 PolarHBondContact O-N 2.83Å; I31-S35 PolarHBondContact O-OG 2.77Å; I31-S35 VanDerWaalsContact O-OG 3.13Å
32	I	43.6	Very low	50.3	Low	77 Å²	77	82.6 Å²	82.6	40%	0.395	44%	0.443	S	S	.	.	H	α-helix	trans	-68.5	-36.7	177.1	-69.1	165.4	0	0	0	111.1	L28 T29 L34 S35 L36	L28-I32 HydrophobicContact CD2-CD1 4.29Å; L28-I32 WeakPolarHBondContact O-CB 3.39Å; L28-I32 WeakPolarHBondContact O-CD1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.43Å; T29-I32 PolarHBondContact O-N 3.06Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 3.4Å; I32-S35 WeakPolarHBondContact CA-OG 3.31Å; I32-S35 PolarHBondContact O-N 2.97Å; I32-S35 PolarHBondContact O-OG 2.98Å; I32-L36 HydrophobicContact CG2-CD1 3.76Å; I32-L36 HydrophobicContact CG2-CG 4.49Å; I32-L36 PolarHBondContact O-N 2.87Å
33	H	43	Very low	50.1	Low	127 Å²	127	80.9 Å²	80.9	59%	0.588	45%	0.447	S	S	*	.	H	α-helix	trans	-69.9	-25.2	173.1	-76.6	55.3	0	0	0	112.6	T29 A30 Q38	T29-H33 WeakPolarHBondContact O-CB 3.1Å; T29-H33 PolarHBondContact O-N 3.17Å; T29-H33 PolarHBondContact O-ND1 3.06Å; A30-H33 PolarHBondContact O-N 2.97Å; H33-Q38 WeakPolarHBondContact O-CG 3.44Å
34	L	42.2	Very low	50.3	Low	117 Å²	117	80.7 Å²	80.7	61%	0.613	44%	0.439	S	S	*	.	H	α-helix	trans	-79.8	-24.5	172.8	-78.5	159.8	0	0	0	112.8	A30 I31 I32	A30-L34 WeakPolarHBondContact O-CB 3.24Å; A30-L34 WeakPolarHBondContact O-CD1 3.39Å; A30-L34 WeakPolarHBondContact O-CG 2.96Å; A30-L34 PolarHBondContact O-N 3.15Å; I31-L34 PolarHBondContact O-N 3.36Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 3.4Å
35	S	37.7	Very low	51	Low	88 Å²	88	78.5 Å²	78.5	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-97.6	-20	-177.3	59.7	0	0	0	0	114.6	I31 I32 G37	I31-S35 PolarHBondContact O-N 2.83Å; I31-S35 PolarHBondContact O-OG 2.77Å; I31-S35 VanDerWaalsContact O-OG 3.13Å; I32-S35 WeakPolarHBondContact CA-OG 3.31Å; I32-S35 PolarHBondContact O-N 2.97Å; I32-S35 PolarHBondContact O-OG 2.98Å; S35-G37 PolarHBondContact O-N 2.85Å
36	L	42.8	Very low	51.7	Low	106 Å²	106	80.4 Å²	80.4	56%	0.555	44%	0.441	S	S	*	.	S	Bend	trans	-81.5	96.9	164.6	-70.8	162.2	0	0	0	107.6	I32 Q38	I32-L36 HydrophobicContact CG2-CD1 3.76Å; I32-L36 HydrophobicContact CG2-CG 4.49Å; I32-L36 PolarHBondContact O-N 2.87Å; L36-Q38 PolarHBondContact O-N 2.87Å
37	G	39.6	Very low	52.8	Low	27 Å²	27	80 Å²	80	28%	0.278	43%	0.433	S	S	.	.			trans	-33.8	109.1	-169.5	0	0	0	0	0	113.9	S35 E39	S35-G37 PolarHBondContact O-N 2.85Å; G37-E39 PolarHBondContact O-N 3.31Å
38	Q	47.9	Very low	54.2	Low	65 Å²	65	72.9 Å²	72.9	30%	0.304	40%	0.401	S	S	.	.			trans	-59.3	104.8	-173.1	-75.7	-178	-54.1	0	0	110.9	H33 L36	H33-Q38 WeakPolarHBondContact O-CG 3.44Å; L36-Q38 PolarHBondContact O-N 2.87Å
39	E	54.6	Low	55.9	Low	83 Å²	83	70.2 Å²	70.2	39%	0.388	39%	0.387	S	S	.	.			trans	-28.3	145.6	147	-63	156.6	-170.9	0	0	111.3	G37 G41 R224	G37-E39 PolarHBondContact O-N 3.31Å; E39-G41 WeakPolarHBondContact O-CA 3.17Å; E39-G41 PolarHBondContact O-N 2.89Å; E39-R224 HydrophobicContact CG-CB 4.1Å; E39-R224 HydrophobicContact CG-CG 3.67Å; E39-R224 IonicContact OE1-CZ 3.75Å; E39-R224 IonicContact OE1-NE 3.58Å; E39-R224 PolarHBondContact OE1-NE 3.01Å; E39-R224 IonicContact OE1-NH2 3.79Å; E39-R224 PolarHBondContact OE1-NH2 3.36Å
40	C	56.8	Low	57.7	Low	1 Å²	1	70 Å²	70	1%	0.007	39%	0.389	C	S	.	.	S	Bend	trans	-36	104.8	177	-64.6	0	0	0	0	110.7	L42 F67 C148 W225 Y226	C40-L42 VanDerWaalsContact C-N 3.26Å; C40-L42 HydrophobicContact CB-CD1 4.25Å; C40-L42 VanDerWaalsContact O-CB 3.22Å; C40-L42 WeakPolarHBondContact O-CB 3.33Å; C40-L42 WeakPolarHBondContact O-CD1 3.43Å; C40-L42 WeakPolarHBondContact O-CG 3.27Å; C40-L42 PolarHBondContact O-N 3.06Å; C40-F67 HydrophobicContact CB-CD1 4.39Å; C40-F67 HydrophobicContact CB-CE1 4.44Å; C40-C148 HydrophobicContact CB-CB 3.54Å; C40-C148 WeakPolarHBondContact CB-SG 3.47Å; C40-C148 WeakPolarHBondContact SG-CA 3.11Å; C40-C148 WeakPolarHBondContact SG-CB 3.02Å; C40-C148 CovalentContact SG-SG 2Å; C40-C148 PolarHBondContact SG-SG 3.45Å; C40-W225 HydrophobicContact CB-CB 4Å; C40-W225 PolarHBondContact SG-O 3.3Å; C40-Y226 VanDerWaalsContact SG-CA 3.58Å
41	G	52.3	Low	59.6	Low	4 Å²	4	68.9 Å²	68.9	4%	0.041	37%	0.374	C	S	.	.	S	Bend	trans	-51.2	70.1	-146.2	0	0	0	0	0	118.7	E39 P43 P66	E39-G41 WeakPolarHBondContact O-CA 3.17Å; E39-G41 PolarHBondContact O-N 2.89Å; G41-P43 WeakPolarHBondContact O-CD 3.15Å; G41-P66 WeakPolarHBondContact O-CD 3.33Å; G41-P66 WeakPolarHBondContact O-CG 3.22Å
42	L	56	Low	61.5	Low	30 Å²	30	65.8 Å²	65.8	16%	0.157	36%	0.359	C	S	.	.			trans	-112.6	98.5	-166.8	-76.3	153.9	0	0	0	110.6	C40 K44 L48 S64 M65 W225	C40-L42 VanDerWaalsContact C-N 3.26Å; C40-L42 HydrophobicContact CB-CD1 4.25Å; C40-L42 VanDerWaalsContact O-CB 3.22Å; C40-L42 WeakPolarHBondContact O-CB 3.33Å; C40-L42 WeakPolarHBondContact O-CD1 3.43Å; C40-L42 WeakPolarHBondContact O-CG 3.27Å; C40-L42 PolarHBondContact O-N 3.06Å; L42-K44 PolarHBondContact O-N 3.05Å; L42-L48 HydrophobicContact CD1-CD1 3.21Å; L42-L48 HydrophobicContact CD1-CG 4.2Å; L42-L48 HydrophobicContact CD2-CD1 3.68Å; L42-L48 HydrophobicContact CD2-CD2 4.19Å; L42-L48 HydrophobicContact CD2-CG 3.87Å; L42-L48 HydrophobicContact CG-CD1 4.06Å; L42-S64 WeakPolarHBondContact CD2-O 3.32Å; L42-M65 HydrophobicContact CD2-CE 4Å; L42-W225 HydrophobicContact CD1-CB 4Å; L42-W225 HydrophobicContact CD1-CG 3.93Å
43	P	53.7	Low	63.7	Low	117 Å²	117	69.5 Å²	69.5	76%	0.76	38%	0.379	S	S	*	.	S	Bend	trans	-70.1	18	163.2	26.9	-31.2	0	0	0	113.1	G41	G41-P43 WeakPolarHBondContact O-CD 3.15Å
44	K	65.3	Low	65.8	Low	79 Å²	79	68.4 Å²	68.4	34%	0.343	37%	0.373	S	S	.	.			trans	-148.4	52.3	-169.8	-55.7	-173.6	-169.9	170.5	0	113.5	L42 L46 V47 L48 D61	L42-K44 PolarHBondContact O-N 3.05Å; K44-L46 PolarHBondContact O-N 3.35Å; K44-V47 HydrophobicContact CB-CB 3.84Å; K44-V47 HydrophobicContact CB-CG2 3.78Å; K44-V47 HydrophobicContact CD-CG2 3.92Å; K44-V47 HydrophobicContact CG-CG2 4.35Å; K44-V47 WeakPolarHBondContact O-CB 3.47Å; K44-V47 PolarHBondContact O-N 3.16Å; K44-L48 PolarHBondContact O-N 3.11Å; K44-D61 IonicContact NZ-OD2 3.36Å; K44-D61 PolarHBondContact NZ-OD2 2.85Å
45	E	68.2	Low	67.9	Low	95 Å²	95	67.4 Å²	67.4	44%	0.444	38%	0.375	S	S	.	.	H	α-helix	trans	-49	-42.4	173.2	-166.5	-168.1	158	0	0	112.1	V47 L48 N49	E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 3.43Å; E45-L48 PolarHBondContact O-N 3.01Å; E45-L48 VanDerWaalsContact O-N 3.15Å; E45-N49 VanDerWaalsContact O-CG 3.28Å; E45-N49 PolarHBondContact O-N 2.99Å; E45-N49 PolarHBondContact O-OD1 3.07Å
46	L	70.6	Confident	70.2	Confident	151 Å²	151	68 Å²	68	79%	0.791	37%	0.368	S	S	*	.	H	α-helix	trans	-57.5	-35.3	175.8	-70.4	172.1	0	0	0	113.6	K44 S50	K44-L46 PolarHBondContact O-N 3.35Å; L46-S50 PolarHBondContact O-N 3.09Å
47	V	80.4	Confident	72.4	Confident	48 Å²	48	65 Å²	65	29%	0.291	36%	0.355	S	S	.	.	H	α-helix	trans	-69.1	-46.3	178.8	171.4	0	0	0	0	109.4	K44 E45 S50 Y51 L60	K44-V47 HydrophobicContact CB-CB 3.84Å; K44-V47 HydrophobicContact CB-CG2 3.78Å; K44-V47 HydrophobicContact CD-CG2 3.92Å; K44-V47 HydrophobicContact CG-CG2 4.35Å; K44-V47 WeakPolarHBondContact O-CB 3.47Å; K44-V47 PolarHBondContact O-N 3.16Å; E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 3.43Å; V47-S50 WeakPolarHBondContact O-CB 3.19Å; V47-S50 PolarHBondContact O-N 2.72Å; V47-S50 PolarHBondContact O-OG 2.93Å; V47-Y51 HydrophobicContact CG1-CE2 3.86Å; V47-Y51 WeakPolarHBondContact O-CD2 3.48Å; V47-Y51 WeakPolarHBondContact O-CE2 3.26Å; V47-L60 HydrophobicContact CG1-CD1 4.21Å
48	L	84	Confident	74.7	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.8	-42.4	179.5	-65.6	-157.6	0	0	0	113.5	L42 K44 E45 S50 Y51 L60 M65 L164 I218 W225	L42-L48 HydrophobicContact CD1-CD1 3.21Å; L42-L48 HydrophobicContact CD1-CG 4.2Å; L42-L48 HydrophobicContact CD2-CD1 3.68Å; L42-L48 HydrophobicContact CD2-CD2 4.19Å; L42-L48 HydrophobicContact CD2-CG 3.87Å; L42-L48 HydrophobicContact CG-CD1 4.06Å; K44-L48 PolarHBondContact O-N 3.11Å; E45-L48 PolarHBondContact O-N 3.01Å; E45-L48 VanDerWaalsContact O-N 3.15Å; L48-S50 PolarHBondContact O-N 3.3Å; L48-S50 VanDerWaalsContact O-N 3.07Å; L48-Y51 WeakPolarHBondContact O-CB 3.23Å; L48-Y51 PolarHBondContact O-N 2.59Å; L48-L60 HydrophobicContact CD2-CD1 4.12Å; L48-M65 HydrophobicContact CD1-CE 3.94Å; L48-M65 HydrophobicContact CD2-CE 3.38Å; L48-M65 HydrophobicContact CG-CE 4.28Å; L48-L164 HydrophobicContact CB-CD1 3.84Å; L48-L164 HydrophobicContact CD1-CD1 4.32Å; L48-L164 HydrophobicContact CD2-CD1 4.4Å; L48-L164 HydrophobicContact CG-CD1 4.42Å; L48-L164 WeakPolarHBondContact O-CD1 3.37Å; L48-I218 HydrophobicContact CD1-CD1 3.6Å; L48-W225 HydrophobicContact CB-CH2 4.42Å; L48-W225 HydrophobicContact CB-CZ2 3.73Å; L48-W225 HydrophobicContact CD1-CD2 3.98Å; L48-W225 HydrophobicContact CD1-CG 4.23Å; L48-W225 HydrophobicContact CD1-CZ2 4.25Å
49	N	85.5	Confident	76.7	Confident	48 Å²	48	70.9 Å²	70.9	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-58.3	-27.8	178.9	-69.1	-7.5	0	0	0	111.9	E45 Y51 L52 W225	E45-N49 VanDerWaalsContact O-CG 3.28Å; E45-N49 PolarHBondContact O-N 2.99Å; E45-N49 PolarHBondContact O-OD1 3.07Å; N49-Y51 PolarHBondContact O-N 3.23Å; N49-L52 HydrophobicContact CB-CD1 4.48Å; N49-L52 PolarHBondContact O-N 3.24Å; N49-W225 WeakPolarHBondContact OD1-CZ2 3.33Å
50	S	89	Confident	78.2	Confident	65 Å²	65	67.2 Å²	67.2	46%	0.455	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.2	175.7	81.4	0	0	0	0	114.4	L46 V47 L48	L46-S50 PolarHBondContact O-N 3.09Å; V47-S50 WeakPolarHBondContact O-CB 3.19Å; V47-S50 PolarHBondContact O-N 2.72Å; V47-S50 PolarHBondContact O-OG 2.93Å; L48-S50 PolarHBondContact O-N 3.3Å; L48-S50 VanDerWaalsContact O-N 3.07Å
51	Y	89.3	Confident	79.6	Confident	26 Å²	26	70.5 Å²	70.5	10%	0.102	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.5	178.7	-61.5	-89	0	0	0	113.5	V47 L48 N49 N53 K54 A58 K59 L60 A176 H178	V47-Y51 HydrophobicContact CG1-CE2 3.86Å; V47-Y51 WeakPolarHBondContact O-CD2 3.48Å; V47-Y51 WeakPolarHBondContact O-CE2 3.26Å; L48-Y51 WeakPolarHBondContact O-CB 3.23Å; L48-Y51 PolarHBondContact O-N 2.59Å; N49-Y51 PolarHBondContact O-N 3.23Å; Y51-N53 PolarHBondContact O-N 3Å; Y51-K54 HydrophobicContact CD1-CG 4.49Å; Y51-K54 WeakPolarHBondContact O-CB 3.48Å; Y51-K54 PolarHBondContact O-N 2.9Å; Y51-A58 HydrophobicContact CD1-CB 3.9Å; Y51-A58 HydrophobicContact CE1-CB 3.68Å; Y51-K59 PolarHBondContact OH-O 2.02Å; Y51-L60 HydrophobicContact CE2-CD1 3.74Å; Y51-A176 HydrophobicContact CD1-CB 3.66Å; Y51-A176 WeakPolarHBondContact CD1-O 3.43Å; Y51-A176 HydrophobicContact CD2-CB 4.21Å; Y51-A176 HydrophobicContact CE1-CB 4.07Å; Y51-A176 HydrophobicContact CG-CB 3.74Å; Y51-H178 PolarHBondContact O-N 3.07Å
52	L	88.7	Confident	81	Confident	28 Å²	28	73 Å²	73	15%	0.147	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24	178.8	-72.4	171.5	0	0	0	112.5	N49 L164 H178 W225	N49-L52 HydrophobicContact CB-CD1 4.48Å; N49-L52 PolarHBondContact O-N 3.24Å; L52-L164 HydrophobicContact CD2-CD2 3.73Å; L52-L164 HydrophobicContact CD2-CG 4.03Å; L52-L164 HydrophobicContact CG-CD2 4.09Å; L52-H178 WeakPolarHBondContact O-CB 3.37Å; L52-H178 PolarHBondContact O-CD2 2.71Å; L52-H178 VanDerWaalsContact O-CD2 3.22Å; L52-W225 HydrophobicContact CD1-CH2 4.37Å; L52-W225 HydrophobicContact CD2-CH2 4.05Å; L52-W225 HydrophobicContact CG-CH2 4.35Å
53	N	89.5	Confident	82.2	Confident	154 Å²	154	77.5 Å²	77.5	82%	0.824	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	13	176.5	-62.9	-23.6	0	0	0	113.2	Y51	Y51-N53 PolarHBondContact O-N 3Å
54	K	88.3	Confident	83.6	Confident	105 Å²	105	72 Å²	72	46%	0.457	38%	0.382	S	S	.	.			trans	-106.7	114.8	-177.7	-59.4	-66	-175.7	-177.4	0	110.3	Y51 H178	Y51-K54 HydrophobicContact CD1-CG 4.49Å; Y51-K54 WeakPolarHBondContact O-CB 3.48Å; Y51-K54 PolarHBondContact O-N 2.9Å; K54-H178 WeakPolarHBondContact O-CB 3.49Å; K54-H178 PolarHBondContact O-N 2.9Å
55	S	85.5	Confident	84.5	Confident	95 Å²	95	68.5 Å²	68.5	66%	0.664	37%	0.366	S	S	*	.	S	Bend	trans	-76.8	-27.9	170.5	57.7	0	0	0	0	112.7
56	E	86.4	Confident	85.3	Confident	101 Å²	101	64.7 Å²	64.7	47%	0.472	35%	0.35	S	S	.	.	S	Bend	trans	-100.1	145	-178.3	-65.2	-57.8	151.3	0	0	112	A58 N206	E56-A58 PolarHBondContact O-N 2.89Å; E56-A58 VanDerWaalsContact O-N 3.17Å; E56-N206 VanDerWaalsContact CD-ND2 3.27Å; E56-N206 PolarHBondContact OE1-ND2 2.95Å; E56-N206 VanDerWaalsContact OE1-ND2 3.08Å; E56-N206 PolarHBondContact OE2-ND2 3.37Å
57	P	88.1	Confident	86.2	Confident	43 Å²	43	57.5 Å²	57.5	28%	0.279	31%	0.312	S	S	.	.			trans	-56.1	119.6	175	-21.8	31.6	0	0	0	111.8	T175 K177	P57-T175 HydrophobicContact CB-CG2 4.3Å; P57-K177 HydrophobicContact CG-CD 3.97Å
58	A	89.1	Confident	86.6	Confident	28 Å²	28	56.8 Å²	56.8	23%	0.231	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144	173.9	0	0	0	0	0	110.2	Y51 E56 L60 T175 A176	Y51-A58 HydrophobicContact CD1-CB 3.9Å; Y51-A58 HydrophobicContact CE1-CB 3.68Å; E56-A58 PolarHBondContact O-N 2.89Å; E56-A58 VanDerWaalsContact O-N 3.17Å; A58-L60 PolarHBondContact O-N 2.83Å; A58-T175 CarbonylContact O-C 3.57Å; A58-T175 WeakPolarHBondContact O-CA 3.43Å; A58-T175 WeakPolarHBondContact O-CB 3.44Å; A58-A176 PolarHBondContact N-O 2.7Å; A58-A176 PolarHBondContact O-N 3.37Å
59	K	89.4	Confident	86.8	Confident	187 Å²	187	56.8 Å²	56.8	81%	0.813	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	136.7	-179.6	-69.4	-172.6	178.9	-175	0	110.9	Y51	Y51-K59 PolarHBondContact OH-O 2.02Å
60	L	86.2	Confident	87.1	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.9	177.1	178.2	69.5	0	0	0	108.7	V47 L48 Y51 A58 P62 M65 I166 M174 A176	V47-L60 HydrophobicContact CG1-CD1 4.21Å; L48-L60 HydrophobicContact CD2-CD1 4.12Å; Y51-L60 HydrophobicContact CE2-CD1 3.74Å; A58-L60 PolarHBondContact O-N 2.83Å; L60-P62 VanDerWaalsContact O-CD 3.29Å; L60-P62 WeakPolarHBondContact O-CD 3.4Å; L60-M65 HydrophobicContact CD2-CE 3.5Å; L60-M65 HydrophobicContact CD2-CG 3.46Å; L60-M65 VanDerWaalsContact CD2-CG 3.46Å; L60-M65 HydrophobicContact CD2-SD 4.04Å; L60-M65 HydrophobicContact CG-CG 4.5Å; L60-I166 HydrophobicContact CD2-CD1 4.19Å; L60-I166 HydrophobicContact CD2-CG2 4.4Å; L60-M174 HydrophobicContact CB-CB 4.21Å; L60-M174 HydrophobicContact CD2-CB 4.44Å; L60-M174 PolarHBondContact N-O 2.8Å; L60-A176 HydrophobicContact CB-CB 4.34Å; L60-A176 HydrophobicContact CD2-CB 4.18Å
61	D	85.4	Confident	87.3	Confident	70 Å²	70	56.1 Å²	56.1	37%	0.374	29%	0.292	S	S	.	.			trans	-63.1	118.6	171.5	172.7	8.5	0	0	0	109.2	K44 L63 S64	K44-D61 IonicContact NZ-OD2 3.36Å; K44-D61 PolarHBondContact NZ-OD2 2.85Å; D61-L63 PolarHBondContact O-N 3Å; D61-L63 WeakPolarHBondContact OD1-CB 3.42Å; D61-L63 PolarHBondContact OD1-N 2.84Å; D61-S64 WeakPolarHBondContact O-CA 3.4Å; D61-S64 WeakPolarHBondContact O-CB 3.32Å; D61-S64 PolarHBondContact O-N 2.84Å; D61-S64 PolarHBondContact O-OG 3.2Å
62	P	83.4	Confident	87.5	Confident	57 Å²	57	60.3 Å²	60.3	37%	0.37	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55	-27.2	179.8	-27.5	36.4	0	0	0	114	L60 S64 M65 M174	L60-P62 VanDerWaalsContact O-CD 3.29Å; L60-P62 WeakPolarHBondContact O-CD 3.4Å; P62-S64 PolarHBondContact O-N 2.77Å; P62-M65 PolarHBondContact O-N 3.08Å; P62-M174 HydrophobicContact CB-CE 4.1Å; P62-M174 HydrophobicContact CB-CG 4.42Å; P62-M174 HydrophobicContact CB-SD 4.32Å; P62-M174 HydrophobicContact CG-CG 4.4Å
63	L	81.4	Confident	87.7	Confident	124 Å²	124	60.2 Å²	60.2	65%	0.649	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-66.6	-15.3	175.3	-63.2	176.6	0	0	0	113.2	D61	D61-L63 PolarHBondContact O-N 3Å; D61-L63 WeakPolarHBondContact OD1-CB 3.42Å; D61-L63 PolarHBondContact OD1-N 2.84Å
64	S	82.1	Confident	87.6	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.014	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-79.9	-6.1	172.2	-48	0	0	0	0	111.9	L42 D61 P62 P66	L42-S64 WeakPolarHBondContact CD2-O 3.32Å; D61-S64 WeakPolarHBondContact O-CA 3.4Å; D61-S64 WeakPolarHBondContact O-CB 3.32Å; D61-S64 PolarHBondContact O-N 2.84Å; D61-S64 PolarHBondContact O-OG 3.2Å; P62-S64 PolarHBondContact O-N 2.77Å; S64-P66 VanDerWaalsContact O-CD 3.26Å; S64-P66 WeakPolarHBondContact O-CD 3.15Å
65	M	85.2	Confident	87.4	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.02	32%	0.317	C	S	.	.			trans	-121.2	64	-179	-66.4	-66.8	135.1	0	0	111	L42 L48 L60 P62 F67 H68 I166 M174 I218	L42-M65 HydrophobicContact CD2-CE 4Å; L48-M65 HydrophobicContact CD1-CE 3.94Å; L48-M65 HydrophobicContact CD2-CE 3.38Å; L48-M65 HydrophobicContact CG-CE 4.28Å; L60-M65 HydrophobicContact CD2-CE 3.5Å; L60-M65 HydrophobicContact CD2-CG 3.46Å; L60-M65 VanDerWaalsContact CD2-CG 3.46Å; L60-M65 HydrophobicContact CD2-SD 4.04Å; L60-M65 HydrophobicContact CG-CG 4.5Å; P62-M65 PolarHBondContact O-N 3.08Å; M65-F67 HydrophobicContact CB-CE1 4.48Å; M65-F67 HydrophobicContact CE-CE1 4.49Å; M65-F67 PolarHBondContact O-N 3.42Å; M65-F67 HydrophobicContact SD-CD1 4.46Å; M65-F67 HydrophobicContact SD-CE1 3.36Å; M65-F67 WeakPolarHBondContact SD-CE1 3.14Å; M65-F67 HydrophobicContact SD-CZ 3.4Å; M65-F67 WeakPolarHBondContact SD-CZ 3.48Å; M65-H68 HydrophobicContact CB-CB 4.26Å; M65-H68 VanDerWaalsContact O-CB 3.3Å; M65-H68 WeakPolarHBondContact O-CB 3.3Å; M65-H68 PolarHBondContact O-N 3.01Å; M65-I166 HydrophobicContact CE-CD1 4.04Å; M65-I166 HydrophobicContact CE-CG1 4.48Å; M65-I166 HydrophobicContact CG-CG2 4.06Å; M65-I166 HydrophobicContact SD-CD1 4.26Å; M65-I166 HydrophobicContact SD-CG1 4.12Å; M65-I166 HydrophobicContact SD-CG2 3.89Å; M65-M174 HydrophobicContact CB-CE 4.01Å; M65-M174 HydrophobicContact CB-SD 3.4Å; M65-M174 WeakPolarHBondContact CB-SD 3.2Å; M65-M174 HydrophobicContact CG-SD 3.53Å; M65-M174 VanDerWaalsContact CG-SD 3.53Å; M65-I218 HydrophobicContact CE-CD1 4.23Å
66	P	84.8	Confident	87.5	Confident	16 Å²	16	57.3 Å²	57.3	10%	0.104	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	1.8	-175.3	28.8	-32.9	0	0	0	114.1	G41 S64 R144 Q145 L146	G41-P66 WeakPolarHBondContact O-CD 3.33Å; G41-P66 WeakPolarHBondContact O-CG 3.22Å; S64-P66 VanDerWaalsContact O-CD 3.26Å; S64-P66 WeakPolarHBondContact O-CD 3.15Å; P66-R144 WeakPolarHBondContact CB-O 3.14Å; P66-Q145 CarbonylContact O-C 3.57Å; P66-Q145 VanDerWaalsContact O-CA 3.3Å; P66-Q145 WeakPolarHBondContact O-CA 3.48Å; P66-Q145 WeakPolarHBondContact O-CG 3.22Å; P66-Q145 PolarHBondContact O-NE2 2.75Å; P66-L146 CarbonylContact C-O 3.58Å; P66-L146 HydrophobicContact CB-CB 4.13Å; P66-L146 HydrophobicContact CB-CG 4.47Å; P66-L146 HydrophobicContact CG-CB 4.11Å; P66-L146 PolarHBondContact O-N 2.91Å
67	F	87.7	Confident	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.4	169.7	61.4	-88.9	0	0	0	112.3	C40 M65 Y81 F82 L146 C148 I218 L227	C40-F67 HydrophobicContact CB-CD1 4.39Å; C40-F67 HydrophobicContact CB-CE1 4.44Å; M65-F67 HydrophobicContact CB-CE1 4.48Å; M65-F67 HydrophobicContact CE-CE1 4.49Å; M65-F67 PolarHBondContact O-N 3.42Å; M65-F67 HydrophobicContact SD-CD1 4.46Å; M65-F67 HydrophobicContact SD-CE1 3.36Å; M65-F67 WeakPolarHBondContact SD-CE1 3.14Å; M65-F67 HydrophobicContact SD-CZ 3.4Å; M65-F67 WeakPolarHBondContact SD-CZ 3.48Å; F67-Y81 AromaticContact CD2-CD1 3.68Å; F67-Y81 HydrophobicContact CD2-CD1 3.68Å; F67-Y81 HydrophobicContact CD2-CG 4.38Å; F67-Y81 AromaticContact CE2-CD1 3.64Å; F67-Y81 HydrophobicContact CE2-CD1 3.64Å; F67-Y81 HydrophobicContact CE2-CE1 4.2Å; F67-Y81 CarbonylContact O-C 3.21Å; F67-Y81 VanDerWaalsContact O-CA 3.31Å; F67-Y81 WeakPolarHBondContact O-CA 3.43Å; F67-F82 PolarHBondContact O-N 2.86Å; F67-L146 WeakPolarHBondContact CA-O 3.38Å; F67-L146 VanDerWaalsContact CB-O 3.22Å; F67-L146 WeakPolarHBondContact CB-O 3.18Å; F67-L146 PolarHBondContact N-O 3.39Å; F67-C148 HydrophobicContact CB-CB 3.4Å; F67-C148 HydrophobicContact CD1-CB 3.64Å; F67-C148 HydrophobicContact CD2-CB 3.68Å; F67-C148 HydrophobicContact CE1-CB 4.3Å; F67-C148 HydrophobicContact CE2-CB 4.35Å; F67-C148 HydrophobicContact CG-CB 3.29Å; F67-I218 HydrophobicContact CE2-CG2 4.29Å; F67-I218 HydrophobicContact CZ-CG2 3.8Å; F67-L227 HydrophobicContact CE2-CD1 4.25Å
68	H	89.2	Confident	87.6	Confident	32 Å²	32	53.2 Å²	53.2	15%	0.148	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.4	177.3	175.7	-97.7	0	0	0	111.9	M65 H79 Q145 A168 M174	M65-H68 HydrophobicContact CB-CB 4.26Å; M65-H68 VanDerWaalsContact O-CB 3.3Å; M65-H68 WeakPolarHBondContact O-CB 3.3Å; M65-H68 PolarHBondContact O-N 3.01Å; H68-H79 AromaticContact CE1-ND1 3.31Å; H68-H79 PolarHBondContact CE1-ND1 3.36Å; H68-H79 VanDerWaalsContact CE1-ND1 3.31Å; H68-H79 WeakPolarHBondContact NE2-CB 3.5Å; H68-H79 AromaticContact NE2-CG 3.44Å; H68-H79 AromaticContact NE2-ND1 3.05Å; H68-H79 PolarHBondContact NE2-ND1 3.4Å; H68-Q145 PolarHBondContact O-NE2 2.75Å; H68-A168 WeakPolarHBondContact NE2-CB 3.18Å; H68-M174 HydrophobicContact CB-CE 3.44Å; H68-M174 VanDerWaalsContact CB-CE 3.44Å; H68-M174 VanDerWaalsContact ND1-CE 3.27Å; H68-M174 WeakPolarHBondContact ND1-CE 3.35Å
69	A	89.8	Confident	87.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.2	178.8	0	0	0	0	0	110.7	H79 G80 F82 V95 V113	A69-H79 CarbonylContact O-C 3.49Å; A69-H79 WeakPolarHBondContact O-CA 3.36Å; A69-H79 VanDerWaalsContact O-CB 3.28Å; A69-H79 WeakPolarHBondContact O-CB 3.44Å; A69-G80 PolarHBondContact N-O 3.36Å; A69-G80 PolarHBondContact O-N 2.92Å; A69-F82 HydrophobicContact CB-CD2 3.73Å; A69-F82 HydrophobicContact CB-CE2 3.44Å; A69-F82 VanDerWaalsContact CB-CE2 3.44Å; A69-F82 HydrophobicContact CB-CZ 4.4Å; A69-V95 HydrophobicContact CB-CG1 3.79Å; A69-V95 HydrophobicContact CB-CG2 4.11Å; A69-V113 HydrophobicContact CB-CG1 3.83Å
70	K	91.3	Very high	87.7	Confident	100 Å²	100	43.7 Å²	43.7	44%	0.435	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.4	167	-172.7	171.8	-174.2	167.5	0	109.4	S77 V113 N114	K70-S77 WeakPolarHBondContact CE-OG 3.31Å; K70-V113 CarbonylContact O-C 3.58Å; K70-V113 WeakPolarHBondContact O-CA 3.47Å; K70-N114 WeakPolarHBondContact CB-OD1 3.45Å; K70-N114 PolarHBondContact N-OD1 2.81Å; K70-N114 PolarHBondContact O-N 2.94Å
71	I	92.5	Very high	87.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132	-179.9	-56.2	175.4	0	0	0	108.4	V73 S77 C78 V95 T97 V102 V111 K112 V113 I133	I71-V73 HydrophobicContact CG2-CG2 4.11Å; I71-S77 CarbonylContact O-C 3.58Å; I71-S77 WeakPolarHBondContact O-CA 3.25Å; I71-C78 PolarHBondContact N-O 2.81Å; I71-C78 PolarHBondContact O-N 3.45Å; I71-C78 VanDerWaalsContact O-O 3.13Å; I71-V95 HydrophobicContact CD1-CG1 4.08Å; I71-T97 HydrophobicContact CD1-CG2 3.85Å; I71-V102 HydrophobicContact CG2-CG2 3.87Å; I71-V111 HydrophobicContact CG2-CG1 3.92Å; I71-K112 CarbonylContact C-O 3.52Å; I71-K112 WeakPolarHBondContact CA-O 3.32Å; I71-V113 HydrophobicContact CG1-CG2 4.34Å; I71-I133 HydrophobicContact CD1-CD1 3.82Å; I71-I133 HydrophobicContact CG2-CD1 4.4Å
72	R	93.4	Very high	88.1	Confident	114 Å²	114	40.6 Å²	40.6	43%	0.43	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.1	172.4	-65.1	-178.5	65.5	121.9	4.9	109.2	K76 V111 K112	R72-K76 CarbonylContact C-O 3.47Å; R72-K76 VanDerWaalsContact CA-O 3.31Å; R72-K76 WeakPolarHBondContact CA-O 3Å; R72-V111 WeakPolarHBondContact O-CA 3.22Å; R72-K112 HydrophobicContact CB-CB 4.44Å; R72-K112 PolarHBondContact N-O 3.11Å; R72-K112 PolarHBondContact O-N 2.76Å
73	V	92.5	Very high	88.1	Confident	25 Å²	25	38 Å²	38	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	97.1	174.5	-172.8	0	0	0	0	107.2	I71 T75 K76 V102 T106 V111	I71-V73 HydrophobicContact CG2-CG2 4.11Å; V73-T75 PolarHBondContact O-N 2.82Å; V73-K76 PolarHBondContact N-O 3.11Å; V73-K76 WeakPolarHBondContact O-CB 3.13Å; V73-K76 PolarHBondContact O-N 2.79Å; V73-V102 HydrophobicContact CG2-CG2 3.77Å; V73-T106 HydrophobicContact CG1-CG2 3.93Å; V73-V111 HydrophobicContact CG1-CG2 4.36Å; V73-V111 HydrophobicContact CG2-CG2 4.17Å
74	G	87	Confident	87.6	Confident	54 Å²	54	34.6 Å²	34.6	56%	0.557	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	-112.7	-167.7	0	0	0	0	0	112	T110	G74-T110 PolarHBondContact N-O 2.84Å
75	T	85.1	Confident	86.2	Confident	147 Å²	147	36.3 Å²	36.3	90%	0.902	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-14.9	177.3	56.3	0	0	0	0	113.8	V73	V73-T75 PolarHBondContact O-N 2.82Å
76	K	87.1	Confident	84.3	Confident	93 Å²	93	42.9 Å²	42.9	40%	0.404	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.3	178.6	-176.8	175	-178	169.2	0	110.1	R72 V73 D100	R72-K76 CarbonylContact C-O 3.47Å; R72-K76 VanDerWaalsContact CA-O 3.31Å; R72-K76 WeakPolarHBondContact CA-O 3Å; V73-K76 PolarHBondContact N-O 3.11Å; V73-K76 WeakPolarHBondContact O-CB 3.13Å; V73-K76 PolarHBondContact O-N 2.79Å; K76-D100 PolarHBondContact NZ-O 2.8Å
77	S	87.8	Confident	82.7	Confident	51 Å²	51	44.7 Å²	44.7	36%	0.357	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.5	166.6	-167.6	0	0	0	0	108.9	K70 I71	K70-S77 WeakPolarHBondContact CE-OG 3.31Å; I71-S77 CarbonylContact O-C 3.58Å; I71-S77 WeakPolarHBondContact O-CA 3.25Å
78	C	88.4	Confident	80.6	Confident	7 Å²	7	48.9 Å²	48.9	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	-169.5	173	48.1	0	0	0	0	108.6	I71 C101	I71-C78 PolarHBondContact N-O 2.81Å; I71-C78 PolarHBondContact O-N 3.45Å; I71-C78 VanDerWaalsContact O-O 3.13Å; C78-C101 HydrophobicContact CB-CB 3.6Å; C78-C101 WeakPolarHBondContact CB-SG 3.36Å; C78-C101 VanDerWaalsContact SG-CA 3.5Å; C78-C101 WeakPolarHBondContact SG-CB 3.49Å; C78-C101 CovalentContact SG-SG 2.02Å; C78-C101 PolarHBondContact SG-SG 3.36Å
79	H	89.9	Confident	78.7	Confident	15 Å²	15	56.6 Å²	56.6	7%	0.069	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	165.5	-179	-25.2	-108.5	0	0	0	113.2	H68 A69 T97 A168 S214	H68-H79 AromaticContact CE1-ND1 3.31Å; H68-H79 PolarHBondContact CE1-ND1 3.36Å; H68-H79 VanDerWaalsContact CE1-ND1 3.31Å; H68-H79 WeakPolarHBondContact NE2-CB 3.5Å; H68-H79 AromaticContact NE2-CG 3.44Å; H68-H79 AromaticContact NE2-ND1 3.05Å; H68-H79 PolarHBondContact NE2-ND1 3.4Å; A69-H79 CarbonylContact O-C 3.49Å; A69-H79 WeakPolarHBondContact O-CA 3.36Å; A69-H79 VanDerWaalsContact O-CB 3.28Å; A69-H79 WeakPolarHBondContact O-CB 3.44Å; H79-T97 PolarHBondContact O-OG1 2.96Å; H79-A168 VanDerWaalsContact CE1-CB 3.47Å; H79-A168 WeakPolarHBondContact CE1-CB 3.36Å; H79-S214 WeakPolarHBondContact CB-OG 3.3Å; H79-S214 PolarHBondContact CD2-OG 3.15Å
80	G	91	Very high	76.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-170.9	176.4	0	0	0	0	0	110.4	A69 L96	A69-G80 PolarHBondContact N-O 3.36Å; A69-G80 PolarHBondContact O-N 2.92Å; G80-L96 CarbonylContact C-O 3.58Å; G80-L96 WeakPolarHBondContact CA-O 3.44Å
81	Y	90.8	Very high	75.5	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	127.4	-171.2	-52.7	-77.9	0	0	0	110.9	F67 V95 L96 S215 S216 L227 M230	F67-Y81 AromaticContact CD2-CD1 3.68Å; F67-Y81 HydrophobicContact CD2-CD1 3.68Å; F67-Y81 HydrophobicContact CD2-CG 4.38Å; F67-Y81 AromaticContact CE2-CD1 3.64Å; F67-Y81 HydrophobicContact CE2-CD1 3.64Å; F67-Y81 HydrophobicContact CE2-CE1 4.2Å; F67-Y81 CarbonylContact O-C 3.21Å; F67-Y81 VanDerWaalsContact O-CA 3.31Å; F67-Y81 WeakPolarHBondContact O-CA 3.43Å; Y81-V95 CarbonylContact O-C 3.56Å; Y81-V95 VanDerWaalsContact O-CA 3.32Å; Y81-V95 WeakPolarHBondContact O-CA 3.42Å; Y81-L96 PolarHBondContact N-O 3.11Å; Y81-L96 PolarHBondContact O-N 2.65Å; Y81-S215 WeakPolarHBondContact OH-CA 3.19Å; Y81-S216 WeakPolarHBondContact CE1-OG 3.33Å; Y81-S216 VanDerWaalsContact CZ-OG 3.32Å; Y81-S216 PolarHBondContact OH-N 3.11Å; Y81-S216 VanDerWaalsContact OH-N 3.11Å; Y81-S216 PolarHBondContact OH-OG 2.85Å; Y81-L227 HydrophobicContact CG-CD1 4.33Å; Y81-L227 HydrophobicContact CG-CD2 4.28Å; Y81-M230 HydrophobicContact CD2-CE 3.88Å; Y81-M230 HydrophobicContact CD2-CG 4Å; Y81-M230 HydrophobicContact CD2-SD 3.93Å; Y81-M230 HydrophobicContact CE2-CE 4.19Å; Y81-M230 HydrophobicContact CE2-CG 4.17Å
82	F	89.3	Confident	74.3	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.035	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.8	172.1	-76.3	-92.6	0	0	0	109.6	F67 A69 E94 V95 V113 L135 V141 Q145 P147 C148	F67-F82 PolarHBondContact O-N 2.86Å; A69-F82 HydrophobicContact CB-CD2 3.73Å; A69-F82 HydrophobicContact CB-CE2 3.44Å; A69-F82 VanDerWaalsContact CB-CE2 3.44Å; A69-F82 HydrophobicContact CB-CZ 4.4Å; F82-E94 WeakPolarHBondContact CA-O 3.33Å; F82-V95 HydrophobicContact CD1-CG2 3.54Å; F82-V95 HydrophobicContact CD2-CG2 3.85Å; F82-V95 HydrophobicContact CE1-CG2 3.52Å; F82-V95 HydrophobicContact CE2-CG2 3.84Å; F82-V95 HydrophobicContact CG-CG2 3.72Å; F82-V95 HydrophobicContact CZ-CG2 3.68Å; F82-V113 HydrophobicContact CE2-CG1 4.2Å; F82-V113 HydrophobicContact CZ-CG1 3.86Å; F82-L135 HydrophobicContact CE1-CD1 3.7Å; F82-L135 HydrophobicContact CZ-CD1 4.02Å; F82-V141 HydrophobicContact CE1-CG1 4.28Å; F82-V141 HydrophobicContact CZ-CG1 4.46Å; F82-Q145 HydrophobicContact CD1-CG 4.29Å; F82-Q145 VanDerWaalsContact CD2-CD 3.44Å; F82-Q145 HydrophobicContact CD2-CG 3.58Å; F82-Q145 HydrophobicContact CE1-CG 4.22Å; F82-Q145 HydrophobicContact CE2-CG 3.49Å; F82-Q145 VanDerWaalsContact CE2-CG 3.49Å; F82-Q145 VanDerWaalsContact CE2-NE2 3.28Å; F82-Q145 HydrophobicContact CG-CG 3.98Å; F82-Q145 HydrophobicContact CZ-CG 3.84Å; F82-P147 HydrophobicContact CB-CB 4.35Å; F82-P147 CarbonylContact O-C 3.58Å; F82-P147 WeakPolarHBondContact O-CA 3.39Å; F82-C148 PolarHBondContact O-N 3.02Å
83	V	83.7	Confident	73.8	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.024	33%	0.325	C	S	.	.			trans	-119.6	-27.4	-173.8	-67.5	0	0	0	0	115.4	E94 L96 C148 Y150 L227	V83-E94 HydrophobicContact CG2-CB 4.32Å; V83-E94 HydrophobicContact CG2-CG 4.11Å; V83-E94 PolarHBondContact N-O 3.13Å; V83-E94 VanDerWaalsContact N-O 3.16Å; V83-L96 HydrophobicContact CB-CD1 4.28Å; V83-L96 HydrophobicContact CB-CG 4.31Å; V83-L96 HydrophobicContact CG1-CB 4.45Å; V83-L96 HydrophobicContact CG1-CD1 3.55Å; V83-L96 HydrophobicContact CG1-CG 3.72Å; V83-L96 HydrophobicContact CG2-CD1 3.97Å; V83-L96 HydrophobicContact CG2-CD2 4.08Å; V83-L96 HydrophobicContact CG2-CG 3.65Å; V83-C148 WeakPolarHBondContact CA-O 3.47Å; V83-Y150 HydrophobicContact CB-CD1 4.32Å; V83-L227 HydrophobicContact CG1-CD2 3.6Å
84	D	70.2	Confident	73.6	Confident	51 Å²	51	61.6 Å²	61.6	27%	0.273	32%	0.324	S	S	.	.			trans	-85.3	125.3	-174.5	-168.1	12.2	0	0	0	112	Y86 E94 P147	D84-Y86 PolarHBondContact O-N 3.28Å; D84-Y86 VanDerWaalsContact O-N 3.11Å; D84-E94 HydrophobicContact CB-CB 4.21Å; D84-P147 WeakPolarHBondContact O-CB 3.21Å; D84-P147 WeakPolarHBondContact O-CG 3.29Å
85	S	52.9	Low	73.8	Confident	39 Å²	39	59 Å²	59	27%	0.273	30%	0.297	S	S	.	.			trans	-74.6	96.5	168.2	60	0	0	0	0	108.9	N87 R149	S85-N87 PolarHBondContact O-N 3.28Å; S85-R149 PolarHBondContact OG-NE 3.03Å; S85-R149 PolarHBondContact OG-NH2 3.35Å
86	Y	46.5	Very low	74.2	Confident	141 Å²	141	52 Å²	52	55%	0.553	25%	0.254	S	S	*	.			trans	1.3	88.9	175.2	-177.9	-101.2	0	0	0	113	D84 P88	D84-Y86 PolarHBondContact O-N 3.28Å; D84-Y86 VanDerWaalsContact O-N 3.11Å; Y86-P88 HydrophobicContact CD1-CB 4.28Å; Y86-P88 HydrophobicContact CD1-CG 4.07Å; Y86-P88 HydrophobicContact CE1-CB 3.78Å; Y86-P88 HydrophobicContact CE1-CG 4.05Å; Y86-P88 WeakPolarHBondContact O-CD 3.12Å; Y86-P88 VanDerWaalsContact O-N 3.16Å
87	N	50.6	Low	74.4	Confident	54 Å²	54	47.7 Å²	47.7	29%	0.289	24%	0.235	S	C	.	.			trans	-69.9	110.7	167.8	-175.7	-23.8	0	0	0	107	S85 K89 L90 R91	S85-N87 PolarHBondContact O-N 3.28Å; N87-K89 PolarHBondContact O-N 3.05Å; N87-K89 VanDerWaalsContact OD1-CB 3.29Å; N87-K89 WeakPolarHBondContact OD1-CB 3.05Å; N87-K89 PolarHBondContact OD1-N 3.23Å; N87-L90 HydrophobicContact CB-CB 4.07Å; N87-L90 HydrophobicContact CB-CD1 4.05Å; N87-L90 HydrophobicContact CB-CG 4.12Å; N87-L90 VanDerWaalsContact ND2-CD1 3.33Å; N87-L90 WeakPolarHBondContact ND2-CD1 3.31Å; N87-L90 PolarHBondContact O-N 3.46Å; N87-R91 PolarHBondContact O-N 3.19Å
88	P	43.8	Very low	74.6	Confident	89 Å²	89	46.2 Å²	46.2	58%	0.578	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22	-175.3	-17	30.2	0	0	0	112.4	Y86	Y86-P88 HydrophobicContact CD1-CB 4.28Å; Y86-P88 HydrophobicContact CD1-CG 4.07Å; Y86-P88 HydrophobicContact CE1-CB 3.78Å; Y86-P88 HydrophobicContact CE1-CG 4.05Å; Y86-P88 WeakPolarHBondContact O-CD 3.12Å; Y86-P88 VanDerWaalsContact O-N 3.16Å
89	K	49.7	Very low	74.8	Confident	194 Å²	194	46.9 Å²	46.9	84%	0.843	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-34.5	177.8	-59.9	-176.7	176.3	179	0	112.5	N87	N87-K89 PolarHBondContact O-N 3.05Å; N87-K89 VanDerWaalsContact OD1-CB 3.29Å; N87-K89 WeakPolarHBondContact OD1-CB 3.05Å; N87-K89 PolarHBondContact OD1-N 3.23Å
90	L	52.4	Low	74.7	Confident	88 Å²	88	51.9 Å²	51.9	46%	0.461	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-30.6	-175.3	-61.5	174.9	0	0	0	112.2	N87 E92	N87-L90 HydrophobicContact CB-CB 4.07Å; N87-L90 HydrophobicContact CB-CD1 4.05Å; N87-L90 HydrophobicContact CB-CG 4.12Å; N87-L90 VanDerWaalsContact ND2-CD1 3.33Å; N87-L90 WeakPolarHBondContact ND2-CD1 3.31Å; N87-L90 PolarHBondContact O-N 3.46Å; L90-E92 HydrophobicContact CB-CB 4.4Å; L90-E92 PolarHBondContact O-N 3.02Å
91	R	61.1	Low	74.6	Confident	165 Å²	165	52.1 Å²	52.1	62%	0.623	26%	0.257	S	S	*	.			trans	50.3	19.9	-173	-60.9	-173.3	177.7	-170.9	0	113.6	N87 P137	N87-R91 PolarHBondContact O-N 3.19Å; R91-P137 HydrophobicContact CB-CB 4.42Å; R91-P137 WeakPolarHBondContact O-CA 3.22Å
92	E	67	Low	74.8	Confident	36 Å²	36	52 Å²	52	17%	0.168	26%	0.257	C	S	.	.			trans	-98.8	133.2	178.6	-77.2	178.1	168.3	0	0	108.1	L90 K134 P137	L90-E92 HydrophobicContact CB-CB 4.4Å; L90-E92 PolarHBondContact O-N 3.02Å; E92-K134 WeakPolarHBondContact OE2-CD 3.25Å; E92-K134 IonicContact OE2-NZ 2.75Å; E92-K134 PolarHBondContact OE2-NZ 3.2Å; E92-P137 HydrophobicContact CG-CB 4.45Å; E92-P137 HydrophobicContact CG-CG 3.82Å
93	S	83	Confident	74.9	Confident	30 Å²	30	54.7 Å²	54.7	21%	0.21	28%	0.275	C	S	.	.			trans	-98.2	137.2	164.7	-67.6	0	0	0	0	108.8	L135	S93-L135 PolarHBondContact O-N 2.91Å
94	E	87.9	Confident	75.1	Confident	25 Å²	25	61 Å²	61	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.4	179.4	-177.9	168.2	-133.3	0	0	110.7	F82 V83 D84 L96 H132 I133	F82-E94 WeakPolarHBondContact CA-O 3.33Å; V83-E94 HydrophobicContact CG2-CB 4.32Å; V83-E94 HydrophobicContact CG2-CG 4.11Å; V83-E94 PolarHBondContact N-O 3.13Å; V83-E94 VanDerWaalsContact N-O 3.16Å; D84-E94 HydrophobicContact CB-CB 4.21Å; E94-L96 HydrophobicContact CG-CD2 4.33Å; E94-H132 WeakPolarHBondContact OE1-CB 3.29Å; E94-H132 IonicContact OE1-CE1 3.81Å; E94-H132 IonicContact OE1-CG 3.39Å; E94-H132 IonicContact OE1-ND1 2.68Å; E94-H132 PolarHBondContact OE1-ND1 2.62Å; E94-I133 WeakPolarHBondContact CA-O 3.27Å
95	V	91.8	Very high	75.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.3	172.8	174.4	0	0	0	0	109.4	A69 I71 Y81 F82 V113 I133	A69-V95 HydrophobicContact CB-CG1 3.79Å; A69-V95 HydrophobicContact CB-CG2 4.11Å; I71-V95 HydrophobicContact CD1-CG1 4.08Å; Y81-V95 CarbonylContact O-C 3.56Å; Y81-V95 VanDerWaalsContact O-CA 3.32Å; Y81-V95 WeakPolarHBondContact O-CA 3.42Å; F82-V95 HydrophobicContact CD1-CG2 3.54Å; F82-V95 HydrophobicContact CD2-CG2 3.85Å; F82-V95 HydrophobicContact CE1-CG2 3.52Å; F82-V95 HydrophobicContact CE2-CG2 3.84Å; F82-V95 HydrophobicContact CG-CG2 3.72Å; F82-V95 HydrophobicContact CZ-CG2 3.68Å; V95-V113 HydrophobicContact CB-CG1 4.38Å; V95-V113 HydrophobicContact CG1-CG1 4.47Å; V95-V113 HydrophobicContact CG2-CG1 3.7Å; V95-I133 HydrophobicContact CB-CB 4.4Å; V95-I133 PolarHBondContact N-O 3.39Å; V95-I133 PolarHBondContact O-N 3.32Å
96	L	92.6	Very high	77.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.7	172	-57.6	-173.3	0	0	0	110.6	G80 Y81 V83 E94 L130 I131 M230 L244 L248	G80-L96 CarbonylContact C-O 3.58Å; G80-L96 WeakPolarHBondContact CA-O 3.44Å; Y81-L96 PolarHBondContact N-O 3.11Å; Y81-L96 PolarHBondContact O-N 2.65Å; V83-L96 HydrophobicContact CB-CD1 4.28Å; V83-L96 HydrophobicContact CB-CG 4.31Å; V83-L96 HydrophobicContact CG1-CB 4.45Å; V83-L96 HydrophobicContact CG1-CD1 3.55Å; V83-L96 HydrophobicContact CG1-CG 3.72Å; V83-L96 HydrophobicContact CG2-CD1 3.97Å; V83-L96 HydrophobicContact CG2-CD2 4.08Å; V83-L96 HydrophobicContact CG2-CG 3.65Å; E94-L96 HydrophobicContact CG-CD2 4.33Å; L96-L130 HydrophobicContact CB-CD1 4.12Å; L96-L130 HydrophobicContact CD1-CD1 4.35Å; L96-L130 HydrophobicContact CD1-CD2 4.45Å; L96-I131 WeakPolarHBondContact CA-O 3.5Å; L96-M230 HydrophobicContact CB-CE 4.07Å; L96-M230 HydrophobicContact CB-SD 3.64Å; L96-M230 HydrophobicContact CD1-SD 4.33Å; L96-L244 HydrophobicContact CD1-CD1 4.21Å; L96-L244 HydrophobicContact CD1-CD2 4.28Å; L96-L248 HydrophobicContact CD1-CD1 4.02Å
97	T	93.1	Very high	80	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	-172.8	170.8	-164.7	0	0	0	0	110.5	I71 H79 C101 V102 I131 I133 M230	I71-T97 HydrophobicContact CD1-CG2 3.85Å; H79-T97 PolarHBondContact O-OG1 2.96Å; T97-C101 HydrophobicContact CG2-CB 4.35Å; T97-C101 VanDerWaalsContact OG1-CB 3.25Å; T97-C101 WeakPolarHBondContact OG1-CB 3.22Å; T97-C101 PolarHBondContact OG1-SG 1.99Å; T97-V102 HydrophobicContact CG2-CB 4.12Å; T97-V102 HydrophobicContact CG2-CG2 3.83Å; T97-I131 HydrophobicContact CG2-CB 3.93Å; T97-I131 HydrophobicContact CG2-CG2 4.15Å; T97-I131 PolarHBondContact N-O 2.96Å; T97-I131 PolarHBondContact O-N 2Å; T97-I133 HydrophobicContact CG2-CD1 3.76Å; T97-I133 HydrophobicContact CG2-CG1 4.3Å; T97-M230 VanDerWaalsContact CA-CE 3.47Å
98	T	91.8	Very high	82.1	Confident	19 Å²	19	60.3 Å²	60.3	12%	0.117	31%	0.314	C	S	.	.			trans	-110	160.2	179.1	65.7	0	0	0	0	112.3	D100 C101 V102 M230 K231	T98-D100 PolarHBondContact O-N 2.94Å; T98-C101 WeakPolarHBondContact O-CB 3.37Å; T98-C101 PolarHBondContact O-N 2.87Å; T98-V102 PolarHBondContact O-N 2.88Å; T98-M230 HydrophobicContact CG2-CE 4.43Å; T98-K231 WeakPolarHBondContact CG2-O 3.18Å
99	P	91	Very high	84.3	Confident	22 Å²	22	59.6 Å²	59.6	14%	0.143	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.3	175	-27	32.8	0	0	0	114.4	C101 V102 P103 R104 P128 H129 I131	P99-C101 VanDerWaalsContact C-N 3.26Å; P99-C101 PolarHBondContact O-N 2.96Å; P99-V102 WeakPolarHBondContact CA-O 3.46Å; P99-V102 CarbonylContact O-C 3.56Å; P99-V102 VanDerWaalsContact O-C 3.25Å; P99-P103 WeakPolarHBondContact O-CA 3.33Å; P99-R104 HydrophobicContact CB-CG 4.46Å; P99-P128 VanDerWaalsContact CG-O 3.24Å; P99-P128 WeakPolarHBondContact CG-O 3.08Å; P99-H129 VanDerWaalsContact CD-C 3.46Å; P99-H129 WeakPolarHBondContact CD-O 3.41Å; P99-I131 HydrophobicContact CG-CD1 4.13Å; P99-I131 HydrophobicContact CG-CG1 4.08Å
100	D	88.4	Confident	86.4	Confident	119 Å²	119	53.5 Å²	53.5	64%	0.636	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.8	175	-81.8	3.8	0	0	0	111.1	K76 T98	K76-D100 PolarHBondContact NZ-O 2.8Å; T98-D100 PolarHBondContact O-N 2.94Å
101	C	90	Very high	88.4	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-54.6	173.9	172.5	0	0	0	0	111.3	C78 T97 T98 P99	C78-C101 HydrophobicContact CB-CB 3.6Å; C78-C101 WeakPolarHBondContact CB-SG 3.36Å; C78-C101 VanDerWaalsContact SG-CA 3.5Å; C78-C101 WeakPolarHBondContact SG-CB 3.49Å; C78-C101 CovalentContact SG-SG 2.02Å; C78-C101 PolarHBondContact SG-SG 3.36Å; T97-C101 HydrophobicContact CG2-CB 4.35Å; T97-C101 VanDerWaalsContact OG1-CB 3.25Å; T97-C101 WeakPolarHBondContact OG1-CB 3.22Å; T97-C101 PolarHBondContact OG1-SG 1.99Å; T98-C101 WeakPolarHBondContact O-CB 3.37Å; T98-C101 PolarHBondContact O-N 2.87Å; P99-C101 VanDerWaalsContact C-N 3.26Å; P99-C101 PolarHBondContact O-N 2.96Å
102	V	93.1	Very high	90	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-123.2	100.7	-178.1	-177.9	0	0	0	0	109.4	I71 V73 T97 T98 P99 T106 V111 I121 I131 I133	I71-V102 HydrophobicContact CG2-CG2 3.87Å; V73-V102 HydrophobicContact CG2-CG2 3.77Å; T97-V102 HydrophobicContact CG2-CB 4.12Å; T97-V102 HydrophobicContact CG2-CG2 3.83Å; T98-V102 PolarHBondContact O-N 2.88Å; P99-V102 WeakPolarHBondContact CA-O 3.46Å; P99-V102 CarbonylContact O-C 3.56Å; P99-V102 VanDerWaalsContact O-C 3.25Å; V102-T106 HydrophobicContact CG1-CG2 4.22Å; V102-V111 HydrophobicContact CG1-CG2 4.28Å; V102-V111 HydrophobicContact CG2-CG1 4.42Å; V102-I121 HydrophobicContact CG1-CD1 3.84Å; V102-I121 HydrophobicContact CG1-CG1 4.48Å; V102-I121 HydrophobicContact CG1-CG2 3.95Å; V102-I131 HydrophobicContact CB-CG2 4.36Å; V102-I131 HydrophobicContact CG1-CG2 4.44Å; V102-I133 HydrophobicContact CG2-CD1 3.89Å
103	P	91.7	Very high	91.3	Very high	64 Å²	64	44.6 Å²	44.6	42%	0.416	26%	0.256	S	S	.	.			trans	-53	147.2	176.5	-28.1	34	0	0	0	112.8	P99 S105 T106	P99-P103 WeakPolarHBondContact O-CA 3.33Å; P103-S105 PolarHBondContact O-N 2.92Å; P103-T106 VanDerWaalsContact CD-OG1 3.31Å; P103-T106 WeakPolarHBondContact CD-OG1 3.34Å; P103-T106 VanDerWaalsContact O-CB 3.31Å; P103-T106 WeakPolarHBondContact O-CB 3.49Å; P103-T106 PolarHBondContact O-N 2.88Å; P103-T106 PolarHBondContact O-OG1 3.26Å
104	R	88.4	Confident	91.6	Very high	136 Å²	136	45.8 Å²	45.8	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.4	-171.4	-59.7	-177.5	-178.8	156.2	8.9	114.6	P99 V123 P128 I131	P99-R104 HydrophobicContact CB-CG 4.46Å; R104-V123 HydrophobicContact CB-CG2 3.69Å; R104-V123 HydrophobicContact CG-CG2 3.62Å; R104-P128 PolarHBondContact NE-O 2.87Å; R104-P128 VanDerWaalsContact NE-O 3.15Å; R104-P128 PolarHBondContact NH2-O 3.21Å; R104-I131 HydrophobicContact CG-CD1 4.29Å
105	S	87.7	Confident	91.6	Very high	117 Å²	117	50.9 Å²	50.9	82%	0.818	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	17.9	-178.1	64.8	0	0	0	0	113.3	P103	P103-S105 PolarHBondContact O-N 2.92Å
106	T	92.5	Very high	91.6	Very high	24 Å²	24	52 Å²	52	15%	0.147	29%	0.293	C	S	.	.			trans	-66.5	133.5	178.5	-66.3	0	0	0	0	110.8	V73 V102 P103 P108 T110 V111 I121	V73-T106 HydrophobicContact CG1-CG2 3.93Å; V102-T106 HydrophobicContact CG1-CG2 4.22Å; P103-T106 VanDerWaalsContact CD-OG1 3.31Å; P103-T106 WeakPolarHBondContact CD-OG1 3.34Å; P103-T106 VanDerWaalsContact O-CB 3.31Å; P103-T106 WeakPolarHBondContact O-CB 3.49Å; P103-T106 PolarHBondContact O-N 2.88Å; P103-T106 PolarHBondContact O-OG1 3.26Å; T106-P108 WeakPolarHBondContact O-CD 3.5Å; T106-T110 WeakPolarHBondContact CG2-OG1 3.41Å; T106-V111 HydrophobicContact CG2-CG2 3.37Å; T106-I121 HydrophobicContact CG2-CD1 4.2Å
107	D	93.4	Very high	91.5	Very high	95 Å²	95	54.1 Å²	54.1	51%	0.508	31%	0.311	S	S	.	.			trans	-65.1	120.2	171.6	176.1	2.6	0	0	0	110.1	A109 T110	D107-A109 PolarHBondContact O-N 3.31Å; D107-A109 VanDerWaalsContact O-N 3.09Å; D107-A109 WeakPolarHBondContact OD1-CB 3.4Å; D107-A109 PolarHBondContact OD1-N 3.05Å; D107-T110 HydrophobicContact CB-CG2 4.09Å; D107-T110 PolarHBondContact O-N 3.23Å; D107-T110 PolarHBondContact O-OG1 2.86Å
108	P	93.6	Very high	91.5	Very high	36 Å²	36	54.4 Å²	54.4	23%	0.234	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-51	-32.8	177.5	-27.2	35.1	0	0	0	114.3	T106 T110 V111 A118 I121	T106-P108 WeakPolarHBondContact O-CD 3.5Å; P108-T110 PolarHBondContact O-N 2.77Å; P108-T110 VanDerWaalsContact O-N 3.13Å; P108-V111 PolarHBondContact O-N 3.45Å; P108-A118 HydrophobicContact CB-CB 4.24Å; P108-I121 HydrophobicContact CB-CD1 4.25Å; P108-I121 HydrophobicContact CB-CG1 4.38Å; P108-I121 HydrophobicContact CG-CB 4.49Å; P108-I121 HydrophobicContact CG-CD1 4.15Å; P108-I121 HydrophobicContact CG-CG1 4.19Å
109	A	91.1	Very high	91.5	Very high	73 Å²	73	58.5 Å²	58.5	60%	0.603	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.9	179.5	0	0	0	0	0	113.5	D107	D107-A109 PolarHBondContact O-N 3.31Å; D107-A109 VanDerWaalsContact O-N 3.09Å; D107-A109 WeakPolarHBondContact OD1-CB 3.4Å; D107-A109 PolarHBondContact OD1-N 3.05Å
110	T	93.2	Very high	91.6	Very high	66 Å²	66	58.6 Å²	58.6	41%	0.405	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-90.7	-7.7	179.2	69.5	0	0	0	0	113.6	G74 T106 D107 P108	G74-T110 PolarHBondContact N-O 2.84Å; T106-T110 WeakPolarHBondContact CG2-OG1 3.41Å; D107-T110 HydrophobicContact CB-CG2 4.09Å; D107-T110 PolarHBondContact O-N 3.23Å; D107-T110 PolarHBondContact O-OG1 2.86Å; P108-T110 PolarHBondContact O-N 2.77Å; P108-T110 VanDerWaalsContact O-N 3.13Å
111	V	95	Very high	91.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.7	-175.3	-177.3	0	0	0	0	110.3	I71 R72 V73 V102 T106 P108 A118 I121 I133	I71-V111 HydrophobicContact CG2-CG1 3.92Å; R72-V111 WeakPolarHBondContact O-CA 3.22Å; V73-V111 HydrophobicContact CG1-CG2 4.36Å; V73-V111 HydrophobicContact CG2-CG2 4.17Å; V102-V111 HydrophobicContact CG1-CG2 4.28Å; V102-V111 HydrophobicContact CG2-CG1 4.42Å; T106-V111 HydrophobicContact CG2-CG2 3.37Å; P108-V111 PolarHBondContact O-N 3.45Å; V111-A118 HydrophobicContact CB-CB 3.95Å; V111-A118 HydrophobicContact CG1-CB 4.16Å; V111-A118 PolarHBondContact O-N 3.26Å; V111-I121 HydrophobicContact CB-CD1 4.1Å; V111-I121 HydrophobicContact CG2-CD1 3.57Å; V111-I133 HydrophobicContact CG1-CD1 4.31Å
112	K	94.5	Very high	92.1	Very high	103 Å²	103	59.3 Å²	59.3	45%	0.448	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.2	173.9	-63.4	-173.7	-179.9	-174.9	0	111.1	I71 R72 I116	I71-K112 CarbonylContact C-O 3.52Å; I71-K112 WeakPolarHBondContact CA-O 3.32Å; R72-K112 HydrophobicContact CB-CB 4.44Å; R72-K112 PolarHBondContact N-O 3.11Å; R72-K112 PolarHBondContact O-N 2.76Å; K112-I116 CarbonylContact C-O 3.58Å; K112-I116 VanDerWaalsContact CA-O 3.23Å; K112-I116 WeakPolarHBondContact CA-O 3.46Å
113	V	92.8	Very high	92	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.4	175.5	-179.9	0	0	0	0	107.9	A69 K70 I71 F82 V95 N115 I116 I133 L135	A69-V113 HydrophobicContact CB-CG1 3.83Å; K70-V113 CarbonylContact O-C 3.58Å; K70-V113 WeakPolarHBondContact O-CA 3.47Å; I71-V113 HydrophobicContact CG1-CG2 4.34Å; F82-V113 HydrophobicContact CE2-CG1 4.2Å; F82-V113 HydrophobicContact CZ-CG1 3.86Å; V95-V113 HydrophobicContact CB-CG1 4.38Å; V95-V113 HydrophobicContact CG1-CG1 4.47Å; V95-V113 HydrophobicContact CG2-CG1 3.7Å; V113-N115 PolarHBondContact O-N 2.81Å; V113-N115 VanDerWaalsContact O-N 3.08Å; V113-I116 PolarHBondContact N-O 3.23Å; V113-I116 WeakPolarHBondContact O-CA 3.09Å; V113-I116 VanDerWaalsContact O-CB 3.32Å; V113-I116 WeakPolarHBondContact O-CB 3.02Å; V113-I116 PolarHBondContact O-N 2.82Å; V113-I133 HydrophobicContact CG2-CD1 4.37Å; V113-I133 HydrophobicContact CG2-CG2 3.98Å; V113-L135 HydrophobicContact CB-CD1 4.42Å; V113-L135 HydrophobicContact CB-CD2 3.57Å; V113-L135 HydrophobicContact CG1-CD1 4.31Å; V113-L135 HydrophobicContact CG1-CD2 4.1Å; V113-L135 HydrophobicContact CG2-CD2 3.59Å
114	N	90.4	Very high	92	Very high	54 Å²	54	59.3 Å²	59.3	29%	0.289	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	38.8	-174.4	-67.6	-12.7	0	0	0	113	K70 I116 Q145	K70-N114 WeakPolarHBondContact CB-OD1 3.45Å; K70-N114 PolarHBondContact N-OD1 2.81Å; K70-N114 PolarHBondContact O-N 2.94Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 3.26Å; N114-Q145 PolarHBondContact ND2-OE1 2.76Å
115	N	88.6	Confident	92	Very high	132 Å²	132	57.8 Å²	57.8	71%	0.706	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	3.9	-175	-50.9	-53	0	0	0	116.7	V113	V113-N115 PolarHBondContact O-N 2.81Å; V113-N115 VanDerWaalsContact O-N 3.08Å
116	I	90.3	Very high	91.9	Very high	24 Å²	24	54.6 Å²	54.6	12%	0.123	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.3	172.5	-61.6	171	0	0	0	109.2	K112 V113 N114 L135 S139 V141	K112-I116 CarbonylContact C-O 3.58Å; K112-I116 VanDerWaalsContact CA-O 3.23Å; K112-I116 WeakPolarHBondContact CA-O 3.46Å; V113-I116 PolarHBondContact N-O 3.23Å; V113-I116 WeakPolarHBondContact O-CA 3.09Å; V113-I116 VanDerWaalsContact O-CB 3.32Å; V113-I116 WeakPolarHBondContact O-CB 3.02Å; V113-I116 PolarHBondContact O-N 2.82Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 3.26Å; I116-L135 HydrophobicContact CB-CD1 4.4Å; I116-L135 HydrophobicContact CD1-CD1 4.35Å; I116-L135 HydrophobicContact CG2-CB 4.05Å; I116-L135 HydrophobicContact CG2-CD1 4.14Å; I116-L135 HydrophobicContact CG2-CD2 4.47Å; I116-L135 HydrophobicContact CG2-CG 4.45Å; I116-S139 VanDerWaalsContact CG2-CB 3.4Å; I116-S139 WeakPolarHBondContact CG2-OG 3.3Å; I116-V141 HydrophobicContact CD1-CB 4.36Å; I116-V141 HydrophobicContact CD1-CG2 3.79Å
117	A	91.5	Very high	91.6	Very high	44 Å²	44	53.5 Å²	53.5	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.7	178.4	0	0	0	0	0	111.5	D136	A117-D136 PolarHBondContact O-N 2.73Å
118	A	93	Very high	91.5	Very high	8 Å²	8	50.7 Å²	50.7	7%	0.066	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.8	169.1	0	0	0	0	0	110	P108 V111 I121 I133	P108-A118 HydrophobicContact CB-CB 4.24Å; V111-A118 HydrophobicContact CB-CB 3.95Å; V111-A118 HydrophobicContact CG1-CB 4.16Å; V111-A118 PolarHBondContact O-N 3.26Å; A118-I121 HydrophobicContact CB-CG1 4.4Å; A118-I133 HydrophobicContact CB-CG2 3.59Å
119	H	92.3	Very high	91.3	Very high	105 Å²	105	50.3 Å²	50.3	49%	0.486	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-43.1	171.5	177	57.6	0	0	0	111.4	K134	H119-K134 WeakPolarHBondContact CB-O 3.3Å; H119-K134 PolarHBondContact N-O 2.8Å
120	S	92.9	Very high	91.3	Very high	25 Å²	25	46.9 Å²	46.9	18%	0.175	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.4	176.2	68.6	0	0	0	0	111.5	K134	S120-K134 PolarHBondContact N-O 2.94Å; S120-K134 PolarHBondContact O-N 2.88Å
121	I	94	Very high	91.4	Very high	25 Å²	25	43.7 Å²	43.7	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.8	175.8	-62.5	165.1	0	0	0	106.4	V102 T106 P108 V111 A118 I131 H132	V102-I121 HydrophobicContact CG1-CD1 3.84Å; V102-I121 HydrophobicContact CG1-CG1 4.48Å; V102-I121 HydrophobicContact CG1-CG2 3.95Å; T106-I121 HydrophobicContact CG2-CD1 4.2Å; P108-I121 HydrophobicContact CB-CD1 4.25Å; P108-I121 HydrophobicContact CB-CG1 4.38Å; P108-I121 HydrophobicContact CG-CB 4.49Å; P108-I121 HydrophobicContact CG-CD1 4.15Å; P108-I121 HydrophobicContact CG-CG1 4.19Å; V111-I121 HydrophobicContact CB-CD1 4.1Å; V111-I121 HydrophobicContact CG2-CD1 3.57Å; A118-I121 HydrophobicContact CB-CG1 4.4Å; I121-I131 HydrophobicContact CG2-CG2 3.6Å; I121-H132 CarbonylContact C-O 3.54Å; I121-H132 WeakPolarHBondContact CA-O 3.43Å
122	K	93.6	Very high	91.3	Very high	114 Å²	114	44.5 Å²	44.5	50%	0.496	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.2	178.3	-65.7	-173.5	-179.5	-176.8	0	110	I131 H132	K122-I131 WeakPolarHBondContact O-CA 2.89Å; K122-H132 HydrophobicContact CB-CB 4.42Å; K122-H132 PolarHBondContact N-O 2.9Å; K122-H132 PolarHBondContact O-N 3.29Å
123	V	92.4	Very high	91.2	Very high	54 Å²	54	39.6 Å²	39.6	33%	0.327	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	140.2	165.8	-172.6	0	0	0	0	107.9	R104 P128 I131	R104-V123 HydrophobicContact CB-CG2 3.69Å; R104-V123 HydrophobicContact CG-CG2 3.62Å; V123-P128 HydrophobicContact CG1-CB 4.17Å; V123-I131 HydrophobicContact CB-CD1 4.33Å; V123-I131 HydrophobicContact CG1-CD1 4.46Å; V123-I131 HydrophobicContact CG2-CD1 3.79Å
124	N	90.4	Very high	91.1	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.053	24%	0.235	C	C	.	.			trans	-61.1	146.8	174.7	176.7	-82.5	0	0	0	111	I126 T127 L130 H132 A247	N124-I126 WeakPolarHBondContact OD1-CA 3.41Å; N124-I126 VanDerWaalsContact OD1-CB 3.31Å; N124-I126 WeakPolarHBondContact OD1-CB 3.21Å; N124-I126 PolarHBondContact OD1-N 2.84Å; N124-T127 WeakPolarHBondContact CB-O 3.43Å; N124-T127 PolarHBondContact OD1-N 2.64Å; N124-L130 HydrophobicContact CB-CB 3.7Å; N124-L130 HydrophobicContact CB-CD2 4.13Å; N124-L130 HydrophobicContact CB-CG 4.17Å; N124-L130 WeakPolarHBondContact CB-O 3.42Å; N124-L130 PolarHBondContact N-O 2.97Å; N124-H132 WeakPolarHBondContact CB-NE2 3.13Å; N124-H132 PolarHBondContact ND2-NE2 2.81Å; N124-A247 PolarHBondContact ND2-O 3.03Å; N124-A247 PolarHBondContact OD1-O 3.19Å
125	A	87.8	Confident	91.1	Very high	104 Å²	104	38.9 Å²	38.9	86%	0.86	22%	0.222	S	C	*	.	S	Bend	trans	-78.7	-21.4	-174.6	0	0	0	0	0	113.8
126	I	86.1	Confident	90.9	Very high	51 Å²	51	35.4 Å²	35.4	26%	0.262	20%	0.203	S	C	.	.	S	Bend	trans	-92.4	-44.4	-177	-60.7	176.6	0	0	0	110.1	N124 F197 A247 H249	N124-I126 WeakPolarHBondContact OD1-CA 3.41Å; N124-I126 VanDerWaalsContact OD1-CB 3.31Å; N124-I126 WeakPolarHBondContact OD1-CB 3.21Å; N124-I126 PolarHBondContact OD1-N 2.84Å; I126-F197 HydrophobicContact CG2-CE2 4.11Å; I126-F197 HydrophobicContact CG2-CZ 3.74Å; I126-A247 WeakPolarHBondContact CD1-O 3.49Å; I126-H249 WeakPolarHBondContact CD1-O 3.44Å
127	T	87.7	Confident	90.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.213	C	C	.	.			trans	-134.1	133.3	-179	178.2	0	0	0	0	111.5	N124 H129 L130 V198 M242 A247	N124-T127 WeakPolarHBondContact CB-O 3.43Å; N124-T127 PolarHBondContact OD1-N 2.64Å; T127-H129 PolarHBondContact O-N 3.43Å; T127-H129 VanDerWaalsContact O-N 3.17Å; T127-H129 PolarHBondContact OG1-CD2 2.96Å; T127-H129 PolarHBondContact OG1-N 3.37Å; T127-L130 HydrophobicContact CG2-CB 4.04Å; T127-V198 HydrophobicContact CG2-CG2 4.28Å; T127-M242 HydrophobicContact CG2-CG 4.5Å; T127-M242 HydrophobicContact CG2-SD 3.48Å; T127-M242 WeakPolarHBondContact CG2-SD 3.35Å; T127-A247 HydrophobicContact CG2-CB 3.6Å
128	P	90.1	Very high	89.8	Confident	36 Å²	36	45.2 Å²	45.2	23%	0.234	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5.2	-179.1	41.2	-41.8	0	0	0	112.5	P99 R104 V123 D195	P99-P128 VanDerWaalsContact CG-O 3.24Å; P99-P128 WeakPolarHBondContact CG-O 3.08Å; R104-P128 PolarHBondContact NE-O 2.87Å; R104-P128 VanDerWaalsContact NE-O 3.15Å; R104-P128 PolarHBondContact NH2-O 3.21Å; V123-P128 HydrophobicContact CG1-CB 4.17Å; P128-D195 VanDerWaalsContact CD-CG 3.44Å; P128-D195 WeakPolarHBondContact CD-OD2 3.39Å; P128-D195 WeakPolarHBondContact CG-OD2 3.28Å
129	H	90	Very high	89.2	Confident	28 Å²	28	47 Å²	47	13%	0.13	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.5	178	-65.8	-87.7	0	0	0	113.3	P99 T127 D195 M199 D232 M242	P99-H129 VanDerWaalsContact CD-C 3.46Å; P99-H129 WeakPolarHBondContact CD-O 3.41Å; T127-H129 PolarHBondContact O-N 3.43Å; T127-H129 VanDerWaalsContact O-N 3.17Å; T127-H129 PolarHBondContact OG1-CD2 2.96Å; T127-H129 PolarHBondContact OG1-N 3.37Å; H129-D195 IonicContact CD2-OD2 3.49Å; H129-D195 IonicContact NE2-OD2 3.75Å; H129-M199 HydrophobicContact CB-CE 4.11Å; H129-D232 IonicContact CE1-OD1 3.76Å; H129-D232 IonicContact CG-OD1 2.73Å; H129-D232 IonicContact ND1-OD1 2.82Å; H129-D232 PolarHBondContact ND1-OD1 2.89Å; H129-D232 IonicContact ND1-OD2 3.88Å; H129-M242 HydrophobicContact CB-CE 3.45Å; H129-M242 VanDerWaalsContact CB-CE 3.45Å; H129-M242 HydrophobicContact CB-SD 4.41Å; H129-M242 WeakPolarHBondContact O-CE 3.16Å
130	L	91.6	Very high	88.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.			trans	-114.6	134.1	-179.5	-171.9	65.2	0	0	0	111.1	L96 N124 T127 M230 M242 L244 A247 L248	L96-L130 HydrophobicContact CB-CD1 4.12Å; L96-L130 HydrophobicContact CD1-CD1 4.35Å; L96-L130 HydrophobicContact CD1-CD2 4.45Å; N124-L130 HydrophobicContact CB-CB 3.7Å; N124-L130 HydrophobicContact CB-CD2 4.13Å; N124-L130 HydrophobicContact CB-CG 4.17Å; N124-L130 WeakPolarHBondContact CB-O 3.42Å; N124-L130 PolarHBondContact N-O 2.97Å; T127-L130 HydrophobicContact CG2-CB 4.04Å; L130-M230 HydrophobicContact CD1-CE 4.2Å; L130-M230 HydrophobicContact CD1-SD 3.99Å; L130-M242 HydrophobicContact CB-CE 3.93Å; L130-M242 HydrophobicContact CB-SD 3.74Å; L130-M242 HydrophobicContact CD1-CE 4.34Å; L130-M242 HydrophobicContact CD1-SD 4.36Å; L130-M242 HydrophobicContact CD2-SD 4.45Å; L130-M242 HydrophobicContact CG-SD 4.42Å; L130-L244 HydrophobicContact CD1-CD2 4.03Å; L130-L244 HydrophobicContact CD2-CD2 4.12Å; L130-A247 HydrophobicContact CD2-CB 4.21Å; L130-L248 HydrophobicContact CD2-CD2 3.8Å; L130-L248 HydrophobicContact CD2-CG 4.24Å
131	I	93.7	Very high	87.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.9	177.7	-58.5	-61.7	0	0	0	109.5	L96 T97 P99 V102 R104 I121 K122 V123 I133	L96-I131 WeakPolarHBondContact CA-O 3.5Å; T97-I131 HydrophobicContact CG2-CB 3.93Å; T97-I131 HydrophobicContact CG2-CG2 4.15Å; T97-I131 PolarHBondContact N-O 2.96Å; T97-I131 PolarHBondContact O-N 2Å; P99-I131 HydrophobicContact CG-CD1 4.13Å; P99-I131 HydrophobicContact CG-CG1 4.08Å; V102-I131 HydrophobicContact CB-CG2 4.36Å; V102-I131 HydrophobicContact CG1-CG2 4.44Å; R104-I131 HydrophobicContact CG-CD1 4.29Å; I121-I131 HydrophobicContact CG2-CG2 3.6Å; K122-I131 WeakPolarHBondContact O-CA 2.89Å; V123-I131 HydrophobicContact CB-CD1 4.33Å; V123-I131 HydrophobicContact CG1-CD1 4.46Å; V123-I131 HydrophobicContact CG2-CD1 3.79Å; I131-I133 HydrophobicContact CG2-CG1 4.13Å
132	H	92.8	Very high	86.7	Confident	16 Å²	16	53.2 Å²	53.2	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.7	171.9	-66.1	-104.3	0	0	0	109.2	E94 I121 K122 N124	E94-H132 WeakPolarHBondContact OE1-CB 3.29Å; E94-H132 IonicContact OE1-CE1 3.81Å; E94-H132 IonicContact OE1-CG 3.39Å; E94-H132 IonicContact OE1-ND1 2.68Å; E94-H132 PolarHBondContact OE1-ND1 2.62Å; I121-H132 CarbonylContact C-O 3.54Å; I121-H132 WeakPolarHBondContact CA-O 3.43Å; K122-H132 HydrophobicContact CB-CB 4.42Å; K122-H132 PolarHBondContact N-O 2.9Å; K122-H132 PolarHBondContact O-N 3.29Å; N124-H132 WeakPolarHBondContact CB-NE2 3.13Å; N124-H132 PolarHBondContact ND2-NE2 2.81Å
133	I	93.2	Very high	85.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.5	173.2	-51.8	176.4	0	0	0	108	I71 E94 V95 T97 V102 V111 V113 A118 I131 L135	I71-I133 HydrophobicContact CD1-CD1 3.82Å; I71-I133 HydrophobicContact CG2-CD1 4.4Å; E94-I133 WeakPolarHBondContact CA-O 3.27Å; V95-I133 HydrophobicContact CB-CB 4.4Å; V95-I133 PolarHBondContact N-O 3.39Å; V95-I133 PolarHBondContact O-N 3.32Å; T97-I133 HydrophobicContact CG2-CD1 3.76Å; T97-I133 HydrophobicContact CG2-CG1 4.3Å; V102-I133 HydrophobicContact CG2-CD1 3.89Å; V111-I133 HydrophobicContact CG1-CD1 4.31Å; V113-I133 HydrophobicContact CG2-CD1 4.37Å; V113-I133 HydrophobicContact CG2-CG2 3.98Å; A118-I133 HydrophobicContact CB-CG2 3.59Å; I131-I133 HydrophobicContact CG2-CG1 4.13Å; I133-L135 HydrophobicContact CG2-CD2 4.26Å
134	K	91.6	Very high	85.1	Confident	38 Å²	38	63.4 Å²	63.4	17%	0.165	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.3	170.8	-64.4	-174.2	160.8	-150.8	0	109.5	E92 H119 S120	E92-K134 WeakPolarHBondContact OE2-CD 3.25Å; E92-K134 IonicContact OE2-NZ 2.75Å; E92-K134 PolarHBondContact OE2-NZ 3.2Å; H119-K134 WeakPolarHBondContact CB-O 3.3Å; H119-K134 PolarHBondContact N-O 2.8Å; S120-K134 PolarHBondContact N-O 2.94Å; S120-K134 PolarHBondContact O-N 2.88Å
135	L	89.8	Confident	84.6	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	158.4	176.5	-54.1	-170	0	0	0	111.4	F82 S93 V113 I116 I133 P137 V141	F82-L135 HydrophobicContact CE1-CD1 3.7Å; F82-L135 HydrophobicContact CZ-CD1 4.02Å; S93-L135 PolarHBondContact O-N 2.91Å; V113-L135 HydrophobicContact CB-CD1 4.42Å; V113-L135 HydrophobicContact CB-CD2 3.57Å; V113-L135 HydrophobicContact CG1-CD1 4.31Å; V113-L135 HydrophobicContact CG1-CD2 4.1Å; V113-L135 HydrophobicContact CG2-CD2 3.59Å; I116-L135 HydrophobicContact CB-CD1 4.4Å; I116-L135 HydrophobicContact CD1-CD1 4.35Å; I116-L135 HydrophobicContact CG2-CB 4.05Å; I116-L135 HydrophobicContact CG2-CD1 4.14Å; I116-L135 HydrophobicContact CG2-CD2 4.47Å; I116-L135 HydrophobicContact CG2-CG 4.45Å; I133-L135 HydrophobicContact CG2-CD2 4.26Å; L135-P137 WeakPolarHBondContact O-CD 3.11Å; L135-V141 HydrophobicContact CD1-CG2 4.1Å
136	D	83.8	Confident	84.2	Confident	58 Å²	58	61.2 Å²	61.2	31%	0.31	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-58.4	121.6	173.8	-174.7	-30.2	0	0	0	110.6	A117 R138 S139	A117-D136 PolarHBondContact O-N 2.73Å; D136-R138 PolarHBondContact O-N 2.82Å; D136-R138 VanDerWaalsContact OD1-CB 3.3Å; D136-R138 WeakPolarHBondContact OD1-CB 3.36Å; D136-R138 PolarHBondContact OD1-N 3.46Å; D136-S139 VanDerWaalsContact O-CB 3.32Å; D136-S139 WeakPolarHBondContact O-CB 3.4Å; D136-S139 PolarHBondContact O-N 3.46Å
137	P	79.8	Confident	84	Confident	50 Å²	50	59.9 Å²	59.9	33%	0.325	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.9	-179.4	-19.8	27.3	0	0	0	114.9	R91 E92 L135	R91-P137 HydrophobicContact CB-CB 4.42Å; R91-P137 WeakPolarHBondContact O-CA 3.22Å; E92-P137 HydrophobicContact CG-CB 4.45Å; E92-P137 HydrophobicContact CG-CG 3.82Å; L135-P137 WeakPolarHBondContact O-CD 3.11Å
138	R	80.4	Confident	83.8	Confident	225 Å²	225	59.8 Å²	59.8	85%	0.849	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-12.8	177.6	-57.7	178.2	-177.1	178.5	2.4	112.6	D136	D136-R138 PolarHBondContact O-N 2.82Å; D136-R138 VanDerWaalsContact OD1-CB 3.3Å; D136-R138 WeakPolarHBondContact OD1-CB 3.36Å; D136-R138 PolarHBondContact OD1-N 3.46Å
139	S	78.9	Confident	83.3	Confident	45 Å²	45	62.4 Å²	62.4	32%	0.315	29%	0.289	S	S	.	.	S	Bend	trans	-77.8	140.3	-179.3	-65.6	0	0	0	0	111.1	I116 D136 V141	I116-S139 VanDerWaalsContact CG2-CB 3.4Å; I116-S139 WeakPolarHBondContact CG2-OG 3.3Å; D136-S139 VanDerWaalsContact O-CB 3.32Å; D136-S139 WeakPolarHBondContact O-CB 3.4Å; D136-S139 PolarHBondContact O-N 3.46Å; S139-V141 PolarHBondContact O-N 2.85Å
140	I	75.3	Confident	82.8	Confident	154 Å²	154	64.6 Å²	64.6	79%	0.79	30%	0.297	S	S	*	.			trans	-89.1	105.7	174.5	-58	173.8	0	0	0	107.3
141	V	76.4	Confident	82	Confident	33 Å²	33	65 Å²	65	20%	0.2	30%	0.299	C	S	.	.			trans	-68.6	139	166.2	-179.7	0	0	0	0	108.4	F82 I116 L135 S139 K143 Q145	F82-V141 HydrophobicContact CE1-CG1 4.28Å; F82-V141 HydrophobicContact CZ-CG1 4.46Å; I116-V141 HydrophobicContact CD1-CB 4.36Å; I116-V141 HydrophobicContact CD1-CG2 3.79Å; L135-V141 HydrophobicContact CD1-CG2 4.1Å; S139-V141 PolarHBondContact O-N 2.85Å; V141-K143 PolarHBondContact O-N 3.5Å; V141-Q145 HydrophobicContact CG1-CB 3.65Å; V141-Q145 HydrophobicContact CG1-CG 3.9Å
142	D	76.3	Confident	80.5	Confident	98 Å²	98	68.2 Å²	68.2	52%	0.524	32%	0.32	S	S	.	.			trans	-53.9	133.6	176.4	-171.9	-24	0	0	0	109.6	R144 Q145	D142-R144 PolarHBondContact O-N 3.3Å; D142-R144 VanDerWaalsContact O-N 3.11Å; D142-R144 WeakPolarHBondContact OD1-CB 3.03Å; D142-R144 PolarHBondContact OD1-N 3.29Å; D142-Q145 HydrophobicContact CB-CB 4.48Å; D142-Q145 WeakPolarHBondContact O-CA 2.97Å; D142-Q145 WeakPolarHBondContact O-CB 3.05Å; D142-Q145 PolarHBondContact O-N 2.83Å
143	K	75	Confident	79.3	Confident	192 Å²	192	71.7 Å²	71.7	84%	0.835	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	177.8	-63.3	-177.9	179.9	-179.5	0	113.1	V141 Q145	V141-K143 PolarHBondContact O-N 3.5Å; K143-Q145 VanDerWaalsContact C-N 3.32Å
144	R	76.5	Confident	78	Confident	190 Å²	190	78.2 Å²	78.2	72%	0.717	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-16.6	173.8	-62.1	178.4	-178.8	-175.8	1.6	112.5	P66 D142 L146	P66-R144 WeakPolarHBondContact CB-O 3.14Å; D142-R144 PolarHBondContact O-N 3.3Å; D142-R144 VanDerWaalsContact O-N 3.11Å; D142-R144 WeakPolarHBondContact OD1-CB 3.03Å; D142-R144 PolarHBondContact OD1-N 3.29Å; R144-L146 PolarHBondContact O-N 2.93Å
145	Q	80.2	Confident	76.8	Confident	34 Å²	34	79.8 Å²	79.8	16%	0.159	37%	0.374	C	S	.	.			trans	-80.3	110.9	173.7	-167.3	81.3	48.8	0	0	108.3	P66 H68 F82 N114 V141 D142 K143	P66-Q145 CarbonylContact O-C 3.57Å; P66-Q145 VanDerWaalsContact O-CA 3.3Å; P66-Q145 WeakPolarHBondContact O-CA 3.48Å; P66-Q145 WeakPolarHBondContact O-CG 3.22Å; P66-Q145 PolarHBondContact O-NE2 2.75Å; H68-Q145 PolarHBondContact O-NE2 2.75Å; F82-Q145 HydrophobicContact CD1-CG 4.29Å; F82-Q145 VanDerWaalsContact CD2-CD 3.44Å; F82-Q145 HydrophobicContact CD2-CG 3.58Å; F82-Q145 HydrophobicContact CE1-CG 4.22Å; F82-Q145 HydrophobicContact CE2-CG 3.49Å; F82-Q145 VanDerWaalsContact CE2-CG 3.49Å; F82-Q145 VanDerWaalsContact CE2-NE2 3.28Å; F82-Q145 HydrophobicContact CG-CG 3.98Å; F82-Q145 HydrophobicContact CZ-CG 3.84Å; N114-Q145 PolarHBondContact ND2-OE1 2.76Å; V141-Q145 HydrophobicContact CG1-CB 3.65Å; V141-Q145 HydrophobicContact CG1-CG 3.9Å; D142-Q145 HydrophobicContact CB-CB 4.48Å; D142-Q145 WeakPolarHBondContact O-CA 2.97Å; D142-Q145 WeakPolarHBondContact O-CB 3.05Å; D142-Q145 PolarHBondContact O-N 2.83Å; K143-Q145 VanDerWaalsContact C-N 3.32Å
146	L	78.5	Confident	75.6	Confident	34 Å²	34	86.5 Å²	86.5	18%	0.178	41%	0.408	C	S	.	.			trans	-117.4	130.1	-178.3	-63.2	179.3	0	0	0	108.2	P66 F67 R144	P66-L146 CarbonylContact C-O 3.58Å; P66-L146 HydrophobicContact CB-CB 4.13Å; P66-L146 HydrophobicContact CB-CG 4.47Å; P66-L146 HydrophobicContact CG-CB 4.11Å; P66-L146 PolarHBondContact O-N 2.91Å; F67-L146 WeakPolarHBondContact CA-O 3.38Å; F67-L146 VanDerWaalsContact CB-O 3.22Å; F67-L146 WeakPolarHBondContact CB-O 3.18Å; F67-L146 PolarHBondContact N-O 3.39Å; R144-L146 PolarHBondContact O-N 2.93Å
147	P	82.1	Confident	74.9	Confident	23 Å²	23	84.8 Å²	84.8	15%	0.149	40%	0.398	C	S	.	.			trans	-65.7	159.4	179.6	29.7	-35.2	0	0	0	111.3	F82 D84	F82-P147 HydrophobicContact CB-CB 4.35Å; F82-P147 CarbonylContact O-C 3.58Å; F82-P147 WeakPolarHBondContact O-CA 3.39Å; D84-P147 WeakPolarHBondContact O-CB 3.21Å; D84-P147 WeakPolarHBondContact O-CG 3.29Å
148	C	83.1	Confident	74.3	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	40%	0.403	C	S	.	.			trans	-118.6	106.7	171.9	179.1	0	0	0	0	108.2	C40 F67 F82 V83 Y150 L227	C40-C148 HydrophobicContact CB-CB 3.54Å; C40-C148 WeakPolarHBondContact CB-SG 3.47Å; C40-C148 WeakPolarHBondContact SG-CA 3.11Å; C40-C148 WeakPolarHBondContact SG-CB 3.02Å; C40-C148 CovalentContact SG-SG 2Å; C40-C148 PolarHBondContact SG-SG 3.45Å; F67-C148 HydrophobicContact CB-CB 3.4Å; F67-C148 HydrophobicContact CD1-CB 3.64Å; F67-C148 HydrophobicContact CD2-CB 3.68Å; F67-C148 HydrophobicContact CE1-CB 4.3Å; F67-C148 HydrophobicContact CE2-CB 4.35Å; F67-C148 HydrophobicContact CG-CB 3.29Å; F82-C148 PolarHBondContact O-N 3.02Å; V83-C148 WeakPolarHBondContact CA-O 3.47Å; C148-Y150 PolarHBondContact O-N 2.98Å; C148-L227 HydrophobicContact CB-CB 4.42Å; C148-L227 VanDerWaalsContact SG-CB 3.6Å; C148-L227 PolarHBondContact SG-N 2.89Å; C148-L227 VanDerWaalsContact SG-N 3.37Å
149	R	79.6	Confident	73.5	Confident	91 Å²	91	78.4 Å²	78.4	34%	0.343	38%	0.381	S	S	.	.			trans	-58	135.9	-180	-72.3	-177.9	170.4	175.9	-1.3	109.2	S85 Y226 L227	S85-R149 PolarHBondContact OG-NE 3.03Å; S85-R149 PolarHBondContact OG-NH2 3.35Å; R149-Y226 HydrophobicContact CB-CD1 4.27Å; R149-Y226 WeakPolarHBondContact O-CA 3.45Å; R149-L227 PolarHBondContact O-N 3.02Å
150	Y	80.2	Confident	73.1	Confident	73 Å²	73	84.9 Å²	84.9	29%	0.286	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-76.5	156.6	167.1	62.9	-88.4	0	0	0	110.2	V83 C148 P152 L227 L248	V83-Y150 HydrophobicContact CB-CD1 4.32Å; C148-Y150 PolarHBondContact O-N 2.98Å; Y150-P152 HydrophobicContact CE2-CB 4.39Å; Y150-P152 WeakPolarHBondContact O-CD 3.4Å; Y150-L227 WeakPolarHBondContact CA-O 3.47Å; Y150-L227 WeakPolarHBondContact CB-O 3.45Å; Y150-L248 HydrophobicContact CD1-CD1 3.61Å; Y150-L248 HydrophobicContact CD2-CB 4.16Å; Y150-L248 HydrophobicContact CD2-CD1 3.62Å; Y150-L248 HydrophobicContact CE1-CD1 3.83Å; Y150-L248 HydrophobicContact CE2-CB 3.79Å; Y150-L248 HydrophobicContact CE2-CD1 3.84Å; Y150-L248 HydrophobicContact CE2-CG 4.46Å; Y150-L248 HydrophobicContact CG-CD1 3.5Å; Y150-L248 VanDerWaalsContact CG-CD1 3.5Å
151	M	76	Confident	73.3	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.039	37%	0.374	C	S	.	.			trans	-77.3	115.4	173.8	-169.7	170.6	64.5	0	0	108.3	D153 N155 I157 E221 Y226 T228 G245	M151-D153 VanDerWaalsContact C-N 3.26Å; M151-D153 PolarHBondContact O-N 2.88Å; M151-N155 HydrophobicContact CE-CB 3.59Å; M151-N155 HydrophobicContact SD-CB 3.86Å; M151-N155 PolarHBondContact SD-ND2 3.05Å; M151-N155 VanDerWaalsContact SD-ND2 3.43Å; M151-I157 HydrophobicContact CE-CD1 3.7Å; M151-I157 HydrophobicContact CE-CG1 3.92Å; M151-E221 HydrophobicContact SD-CG 4.16Å; M151-Y226 HydrophobicContact CB-CG 4.46Å; M151-T228 HydrophobicContact CB-CG2 4.34Å; M151-T228 HydrophobicContact CE-CG2 4.33Å; M151-G245 WeakPolarHBondContact O-CA 3.33Å
152	P	62.1	Low	73.9	Confident	68 Å²	68	79 Å²	79	44%	0.442	38%	0.38	S	S	.	.			trans	-75.5	-15.2	-169.9	29.4	-35.2	0	0	0	113.9	Y150	Y150-P152 HydrophobicContact CE2-CB 4.39Å; Y150-P152 WeakPolarHBondContact O-CD 3.4Å
153	D	66.7	Low	74.6	Confident	89 Å²	89	74.3 Å²	74.3	48%	0.476	36%	0.355	S	S	.	.	S	Bend	trans	-104.5	153.6	-173.5	-63.4	-42.3	0	0	0	111.5	M151 N155	M151-D153 VanDerWaalsContact C-N 3.26Å; M151-D153 PolarHBondContact O-N 2.88Å; D153-N155 PolarHBondContact O-N 3.37Å
154	R	65.9	Low	75.4	Confident	138 Å²	138	65.2 Å²	65.2	52%	0.521	32%	0.316	S	S	.	.			trans	-72.9	49.3	172.2	-58.7	176.1	-176.6	-159.2	-2	110.8	I156 Y246 H249	R154-I156 PolarHBondContact O-N 2.89Å; R154-Y246 HydrophobicContact CB-CE1 4.13Å; R154-Y246 HydrophobicContact CB-CE2 4.4Å; R154-Y246 HydrophobicContact CG-CD1 3.99Å; R154-Y246 HydrophobicContact CG-CE1 3.75Å; R154-H249 PolarHBondContact NE-CD2 3.45Å; R154-H249 PolarHBondContact NH2-CD2 3.29Å; R154-H249 VanDerWaalsContact NH2-CD2 3.33Å
155	N	66.2	Low	76.1	Confident	71 Å²	71	56.3 Å²	56.3	38%	0.38	28%	0.282	S	S	.	.			trans	-71.2	125.4	175.3	-63.3	-25.7	0	0	0	107.5	M151 D153 I157	M151-N155 HydrophobicContact CE-CB 3.59Å; M151-N155 HydrophobicContact SD-CB 3.86Å; M151-N155 PolarHBondContact SD-ND2 3.05Å; M151-N155 VanDerWaalsContact SD-ND2 3.43Å; D153-N155 PolarHBondContact O-N 3.37Å; N155-I157 PolarHBondContact O-N 2.97Å; N155-I157 VanDerWaalsContact O-N 3.11Å
156	I	64.2	Low	76.6	Confident	142 Å²	142	54.9 Å²	54.9	73%	0.728	28%	0.276	S	S	*	.			trans	-70.3	109.2	176.8	-59.5	172.9	0	0	0	107	R154 T158	R154-I156 PolarHBondContact O-N 2.89Å; I156-T158 HydrophobicContact CG2-CG2 4.34Å
157	I	70.6	Confident	77.1	Confident	22 Å²	22	53.5 Å²	53.5	11%	0.113	27%	0.269	C	S	.	.			trans	-80.4	123	172.4	-66.5	164.6	0	0	0	106.9	M151 N155 F181 T228	M151-I157 HydrophobicContact CE-CD1 3.7Å; M151-I157 HydrophobicContact CE-CG1 3.92Å; N155-I157 PolarHBondContact O-N 2.97Å; N155-I157 VanDerWaalsContact O-N 3.11Å; I157-F181 HydrophobicContact CG2-CD2 4.22Å; I157-F181 HydrophobicContact CG2-CE1 4.28Å; I157-F181 HydrophobicContact CG2-CE2 3.56Å; I157-F181 HydrophobicContact CG2-CZ 3.58Å; I157-T228 VanDerWaalsContact CD1-CB 3.47Å; I157-T228 HydrophobicContact CD1-CG2 3.6Å
158	T	65.7	Low	77.3	Confident	67 Å²	67	52.5 Å²	52.5	41%	0.411	26%	0.262	S	S	.	.			trans	-103.3	170	-178.2	67.2	0	0	0	0	110.3	I156 E160 S161	I156-T158 HydrophobicContact CG2-CG2 4.34Å; T158-E160 PolarHBondContact O-N 3.22Å; T158-E160 VanDerWaalsContact O-N 3.1Å; T158-E160 PolarHBondContact OG1-N 2.81Å; T158-S161 PolarHBondContact N-OG 2.8Å; T158-S161 WeakPolarHBondContact O-CB 3.41Å; T158-S161 PolarHBondContact O-N 3.17Å; T158-S161 PolarHBondContact O-OG 3.15Å
159	N	64.7	Low	77.1	Confident	75 Å²	75	54 Å²	54	40%	0.401	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.6	173.4	-69.9	18.7	0	0	0	113.7	S161 F181	N159-S161 VanDerWaalsContact C-N 3.35Å; N159-F181 PolarHBondContact ND2-O 2.94Å; N159-F181 WeakPolarHBondContact OD1-CB 3.3Å; N159-F181 PolarHBondContact OD1-O 3.31Å
160	E	69.8	Low	76.8	Confident	181 Å²	181	54.9 Å²	54.9	85%	0.846	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.5	178.4	-58.3	-175	174.3	0	0	112.6	T158	T158-E160 PolarHBondContact O-N 3.22Å; T158-E160 VanDerWaalsContact O-N 3.1Å; T158-E160 PolarHBondContact OG1-N 2.81Å
161	S	79.9	Confident	76.5	Confident	15 Å²	15	57.7 Å²	57.7	11%	0.105	31%	0.312	C	S	.	.	S	Bend	trans	-65.5	135.9	178.2	-65.4	0	0	0	0	110.4	T158 N159 C163	T158-S161 PolarHBondContact N-OG 2.8Å; T158-S161 WeakPolarHBondContact O-CB 3.41Å; T158-S161 PolarHBondContact O-N 3.17Å; T158-S161 PolarHBondContact O-OG 3.15Å; N159-S161 VanDerWaalsContact C-N 3.35Å; S161-C163 VanDerWaalsContact C-N 3.28Å; S161-C163 VanDerWaalsContact CB-SG 3.57Å; S161-C163 PolarHBondContact O-N 2.7Å
162	S	88.8	Confident	76.5	Confident	48 Å²	48	59.5 Å²	59.5	34%	0.336	33%	0.332	S	S	.	.			trans	-74.3	81.5	179.6	-72	0	0	0	0	110.7	C219 L220 W225	S162-C219 WeakPolarHBondContact O-CA 3.04Å; S162-L220 PolarHBondContact O-N 3.41Å; S162-W225 WeakPolarHBondContact O-CZ3 3.43Å
163	C	91.7	Very high	77.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.6	-173.4	-61.6	0	0	0	0	112.2	S161 A179 F181 I217 I218 C219	S161-C163 VanDerWaalsContact C-N 3.28Å; S161-C163 VanDerWaalsContact CB-SG 3.57Å; S161-C163 PolarHBondContact O-N 2.7Å; C163-A179 HydrophobicContact CB-CB 3.79Å; C163-A179 PolarHBondContact O-N 3.2Å; C163-F181 HydrophobicContact CB-CE2 3.68Å; C163-F181 HydrophobicContact CB-CZ 4.09Å; C163-I217 HydrophobicContact CB-CG2 3.92Å; C163-I218 CarbonylContact C-O 3.51Å; C163-I218 VanDerWaalsContact CA-O 3.25Å; C163-I218 WeakPolarHBondContact CA-O 2.88Å; C163-C219 HydrophobicContact CB-CB 4.13Å; C163-C219 WeakPolarHBondContact CB-SG 3.42Å; C163-C219 WeakPolarHBondContact SG-CB 3.39Å; C163-C219 CovalentContact SG-SG 2.04Å; C163-C219 PolarHBondContact SG-SG 2.83Å
164	L	91.4	Very high	78.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.8	178.8	-61.5	175.3	0	0	0	110.6	L48 L52 I166 K177 I217 I218 W225	L48-L164 HydrophobicContact CB-CD1 3.84Å; L48-L164 HydrophobicContact CD1-CD1 4.32Å; L48-L164 HydrophobicContact CD2-CD1 4.4Å; L48-L164 HydrophobicContact CG-CD1 4.42Å; L48-L164 WeakPolarHBondContact O-CD1 3.37Å; L52-L164 HydrophobicContact CD2-CD2 3.73Å; L52-L164 HydrophobicContact CD2-CG 4.03Å; L52-L164 HydrophobicContact CG-CD2 4.09Å; L164-I166 HydrophobicContact CB-CD1 4.06Å; L164-K177 CarbonylContact C-O 3.51Å; L164-K177 WeakPolarHBondContact CA-O 3.38Å; L164-I217 VanDerWaalsContact O-CA 3.3Å; L164-I217 WeakPolarHBondContact O-CA 3.26Å; L164-I218 HydrophobicContact CB-CG1 4.01Å; L164-I218 PolarHBondContact N-O 3.22Å; L164-I218 PolarHBondContact O-N 2.95Å; L164-W225 HydrophobicContact CB-CZ3 4.44Å; L164-W225 HydrophobicContact CD1-CH2 3.57Å; L164-W225 HydrophobicContact CD1-CZ2 4.23Å; L164-W225 HydrophobicContact CD1-CZ3 3.92Å; L164-W225 HydrophobicContact CG-CH2 3.77Å; L164-W225 HydrophobicContact CG-CZ3 3.91Å
165	V	91.5	Very high	79.7	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.3	161.6	-179.8	0	0	0	0	107.9	A176 K177 A179 V202 S216 I217 Y241	V165-A176 VanDerWaalsContact O-CA 3.29Å; V165-A176 WeakPolarHBondContact O-CA 3.27Å; V165-K177 HydrophobicContact CB-CG 4Å; V165-K177 PolarHBondContact N-O 2.99Å; V165-K177 PolarHBondContact O-N 2.82Å; V165-K177 VanDerWaalsContact O-N 3.15Å; V165-A179 HydrophobicContact CG2-CB 3.88Å; V165-V202 HydrophobicContact CG2-CG1 4.31Å; V165-S216 WeakPolarHBondContact CA-O 3.46Å; V165-I217 HydrophobicContact CG2-CG1 4.25Å; V165-Y241 WeakPolarHBondContact CG1-OH 3.36Å
166	I	90.2	Very high	80.8	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.3	172.8	-51.3	-58.8	0	0	0	107.9	L60 M65 L164 T175 A176 S215 S216 I218	L60-I166 HydrophobicContact CD2-CD1 4.19Å; L60-I166 HydrophobicContact CD2-CG2 4.4Å; M65-I166 HydrophobicContact CE-CD1 4.04Å; M65-I166 HydrophobicContact CE-CG1 4.48Å; M65-I166 HydrophobicContact CG-CG2 4.06Å; M65-I166 HydrophobicContact SD-CD1 4.26Å; M65-I166 HydrophobicContact SD-CG1 4.12Å; M65-I166 HydrophobicContact SD-CG2 3.89Å; L164-I166 HydrophobicContact CB-CD1 4.06Å; I166-T175 WeakPolarHBondContact CA-O 3.45Å; I166-A176 HydrophobicContact CD1-CB 3.67Å; I166-S215 CarbonylContact O-C 3.57Å; I166-S215 WeakPolarHBondContact O-CA 3.04Å; I166-S215 WeakPolarHBondContact O-CB 3.47Å; I166-S216 PolarHBondContact N-O 2.91Å; I166-S216 PolarHBondContact O-N 2.87Å; I166-I218 HydrophobicContact CD1-CD1 4.06Å; I166-I218 HydrophobicContact CD1-CG1 4.37Å; I166-I218 HydrophobicContact CG1-CD1 3.92Å; I166-I218 HydrophobicContact CG1-CG1 3.98Å
167	E	89.5	Confident	82.1	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.7	-179.4	-175.1	178.1	-177.1	0	0	110.3	M174 T175 S208 T213	E167-M174 CarbonylContact O-C 3.53Å; E167-M174 VanDerWaalsContact O-CA 3.29Å; E167-M174 WeakPolarHBondContact O-CA 3.47Å; E167-T175 PolarHBondContact N-O 3.16Å; E167-T175 PolarHBondContact O-N 3.08Å; E167-S208 PolarHBondContact OE1-OG 3.14Å; E167-T213 HydrophobicContact CG-CG2 4.48Å; E167-T213 WeakPolarHBondContact OE1-CB 3.4Å; E167-T213 PolarHBondContact OE1-OG1 3.09Å
168	A	85.7	Confident	83.1	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.4	170.1	0	0	0	0	0	109.5	H68 H79 T213 S214	H68-A168 WeakPolarHBondContact NE2-CB 3.18Å; H79-A168 VanDerWaalsContact CE1-CB 3.47Å; H79-A168 WeakPolarHBondContact CE1-CB 3.36Å; A168-T213 VanDerWaalsContact O-CB 3.27Å; A168-T213 WeakPolarHBondContact O-CB 3.14Å; A168-T213 WeakPolarHBondContact O-CG2 3.25Å; A168-S214 PolarHBondContact N-O 2.9Å
169	T	79.5	Confident	84.2	Confident	31 Å²	31	36.6 Å²	36.6	19%	0.19	22%	0.219	C	C	.	.			trans	-91.1	158.7	-179.2	54	0	0	0	0	111.2	D171 G172 G173 T175	T169-D171 VanDerWaalsContact CB-OD1 3.26Å; T169-D171 WeakPolarHBondContact CB-OD1 3.39Å; T169-D171 PolarHBondContact O-N 2.76Å; T169-D171 VanDerWaalsContact O-N 3.16Å; T169-D171 PolarHBondContact OG1-OD1 2.92Å; T169-G172 PolarHBondContact O-N 3.42Å; T169-G173 PolarHBondContact N-O 3.42Å; T169-G173 WeakPolarHBondContact OG1-CA 3.36Å; T169-G173 PolarHBondContact OG1-N 3.33Å; T169-G173 VanDerWaalsContact OG1-N 3.12Å; T169-G173 PolarHBondContact OG1-O 3.25Å; T169-G173 VanDerWaalsContact OG1-O 3.07Å; T169-T175 HydrophobicContact CG2-CG2 4.1Å
170	S	72.2	Confident	85.4	Confident	110 Å²	110	36.3 Å²	36.3	77%	0.769	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.2	-176.6	56.1	0	0	0	0	114.4	G172	S170-G172 VanDerWaalsContact C-N 3.27Å
171	D	74.7	Confident	86.3	Confident	132 Å²	132	27.9 Å²	27.9	71%	0.706	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	0.4	175.8	65.1	-12.7	0	0	0	113.4	T169 G173	T169-D171 VanDerWaalsContact CB-OD1 3.26Å; T169-D171 WeakPolarHBondContact CB-OD1 3.39Å; T169-D171 PolarHBondContact O-N 2.76Å; T169-D171 VanDerWaalsContact O-N 3.16Å; T169-D171 PolarHBondContact OG1-OD1 2.92Å; D171-G173 VanDerWaalsContact C-N 3.35Å; D171-G173 PolarHBondContact OD1-N 2.78Å; D171-G173 VanDerWaalsContact OD1-N 3.09Å
172	G	75.6	Confident	86.4	Confident	45 Å²	45	28.3 Å²	28.3	46%	0.464	18%	0.178	S	C	.	.	S	Bend	trans	84.8	6.2	-177.1	0	0	0	0	0	114.3	T169 S170	T169-G172 PolarHBondContact O-N 3.42Å; S170-G172 VanDerWaalsContact C-N 3.27Å
173	G	84.3	Confident	85.7	Confident	22 Å²	22	33.3 Å²	33.3	23%	0.227	20%	0.201	C	C	.	.			trans	-72.9	178.2	167.4	0	0	0	0	0	112.9	T169 D171	T169-G173 PolarHBondContact N-O 3.42Å; T169-G173 WeakPolarHBondContact OG1-CA 3.36Å; T169-G173 PolarHBondContact OG1-N 3.33Å; T169-G173 VanDerWaalsContact OG1-N 3.12Å; T169-G173 PolarHBondContact OG1-O 3.25Å; T169-G173 VanDerWaalsContact OG1-O 3.07Å; D171-G173 VanDerWaalsContact C-N 3.35Å; D171-G173 PolarHBondContact OD1-N 2.78Å; D171-G173 VanDerWaalsContact OD1-N 3.09Å
174	M	87.9	Confident	84.5	Confident	9 Å²	9	40 Å²	40	4%	0.044	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.3	172.3	-65.4	-172	-169.9	0	0	110.9	L60 P62 M65 H68 E167	L60-M174 HydrophobicContact CB-CB 4.21Å; L60-M174 HydrophobicContact CD2-CB 4.44Å; L60-M174 PolarHBondContact N-O 2.8Å; P62-M174 HydrophobicContact CB-CE 4.1Å; P62-M174 HydrophobicContact CB-CG 4.42Å; P62-M174 HydrophobicContact CB-SD 4.32Å; P62-M174 HydrophobicContact CG-CG 4.4Å; M65-M174 HydrophobicContact CB-CE 4.01Å; M65-M174 HydrophobicContact CB-SD 3.4Å; M65-M174 WeakPolarHBondContact CB-SD 3.2Å; M65-M174 HydrophobicContact CG-SD 3.53Å; M65-M174 VanDerWaalsContact CG-SD 3.53Å; H68-M174 HydrophobicContact CB-CE 3.44Å; H68-M174 VanDerWaalsContact CB-CE 3.44Å; H68-M174 VanDerWaalsContact ND1-CE 3.27Å; H68-M174 WeakPolarHBondContact ND1-CE 3.35Å; E167-M174 CarbonylContact O-C 3.53Å; E167-M174 VanDerWaalsContact O-CA 3.29Å; E167-M174 WeakPolarHBondContact O-CA 3.47Å
175	T	89.9	Confident	83.5	Confident	21 Å²	21	40.7 Å²	40.7	13%	0.129	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.1	170.8	60.5	0	0	0	0	110.6	P57 A58 I166 E167 T169	P57-T175 HydrophobicContact CB-CG2 4.3Å; A58-T175 CarbonylContact O-C 3.57Å; A58-T175 WeakPolarHBondContact O-CA 3.43Å; A58-T175 WeakPolarHBondContact O-CB 3.44Å; I166-T175 WeakPolarHBondContact CA-O 3.45Å; E167-T175 PolarHBondContact N-O 3.16Å; E167-T175 PolarHBondContact O-N 3.08Å; T169-T175 HydrophobicContact CG2-CG2 4.1Å
176	A	89.9	Confident	82.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.1	172.9	0	0	0	0	0	110.8	Y51 A58 L60 V165 I166	Y51-A176 HydrophobicContact CD1-CB 3.66Å; Y51-A176 WeakPolarHBondContact CD1-O 3.43Å; Y51-A176 HydrophobicContact CD2-CB 4.21Å; Y51-A176 HydrophobicContact CE1-CB 4.07Å; Y51-A176 HydrophobicContact CG-CB 3.74Å; A58-A176 PolarHBondContact N-O 2.7Å; A58-A176 PolarHBondContact O-N 3.37Å; L60-A176 HydrophobicContact CB-CB 4.34Å; L60-A176 HydrophobicContact CD2-CB 4.18Å; V165-A176 VanDerWaalsContact O-CA 3.29Å; V165-A176 WeakPolarHBondContact O-CA 3.27Å; I166-A176 HydrophobicContact CD1-CB 3.67Å
177	K	90.2	Very high	80.7	Confident	11 Å²	11	49.9 Å²	49.9	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	165.6	171.8	59	170.6	173.7	-179.7	0	110.2	P57 L164 V165 D204	P57-K177 HydrophobicContact CG-CD 3.97Å; L164-K177 CarbonylContact C-O 3.51Å; L164-K177 WeakPolarHBondContact CA-O 3.38Å; V165-K177 HydrophobicContact CB-CG 4Å; V165-K177 PolarHBondContact N-O 2.99Å; V165-K177 PolarHBondContact O-N 2.82Å; V165-K177 VanDerWaalsContact O-N 3.15Å; K177-D204 IonicContact NZ-OD1 2.63Å; K177-D204 PolarHBondContact NZ-OD1 3.5Å
178	H	91.1	Very high	79.3	Confident	53 Å²	53	53 Å²	53	25%	0.245	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	140	170.7	-172.6	-105.9	0	0	0	111.6	Y51 L52 K54	Y51-H178 PolarHBondContact O-N 3.07Å; L52-H178 WeakPolarHBondContact O-CB 3.37Å; L52-H178 PolarHBondContact O-CD2 2.71Å; L52-H178 VanDerWaalsContact O-CD2 3.22Å; K54-H178 WeakPolarHBondContact O-CB 3.49Å; K54-H178 PolarHBondContact O-N 2.9Å
179	A	90.3	Very high	78.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.328	C	S	.	.			trans	-85.6	117	172.2	0	0	0	0	0	110.1	C163 V165 F181 I217	C163-A179 HydrophobicContact CB-CB 3.79Å; C163-A179 PolarHBondContact O-N 3.2Å; V165-A179 HydrophobicContact CG2-CB 3.88Å; A179-F181 HydrophobicContact CB-CD2 4.28Å; A179-F181 HydrophobicContact CB-CE2 3.71Å; A179-F181 HydrophobicContact CB-CZ 3.96Å; A179-I217 HydrophobicContact CB-CD1 4.4Å; A179-I217 HydrophobicContact CB-CG2 4.1Å
180	D	88.9	Confident	77.4	Confident	70 Å²	70	56.9 Å²	56.9	37%	0.374	33%	0.328	S	S	.	.			trans	-100.5	84.9	179.2	-175.5	17.4	0	0	0	109.5	V202 R203	D180-V202 CarbonylContact O-C 3.47Å; D180-V202 WeakPolarHBondContact O-CA 3.47Å; D180-R203 HydrophobicContact CB-CB 4.15Å; D180-R203 PolarHBondContact O-N 3.2Å; D180-R203 WeakPolarHBondContact OD2-CD 3.45Å
181	F	88	Confident	76.7	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.018	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-67.2	155.7	177.2	-59.6	-84.2	0	0	0	110.7	I157 N159 C163 A179 T200 V202 I217 H229	I157-F181 HydrophobicContact CG2-CD2 4.22Å; I157-F181 HydrophobicContact CG2-CE1 4.28Å; I157-F181 HydrophobicContact CG2-CE2 3.56Å; I157-F181 HydrophobicContact CG2-CZ 3.58Å; N159-F181 PolarHBondContact ND2-O 2.94Å; N159-F181 WeakPolarHBondContact OD1-CB 3.3Å; N159-F181 PolarHBondContact OD1-O 3.31Å; C163-F181 HydrophobicContact CB-CE2 3.68Å; C163-F181 HydrophobicContact CB-CZ 4.09Å; A179-F181 HydrophobicContact CB-CD2 4.28Å; A179-F181 HydrophobicContact CB-CE2 3.71Å; A179-F181 HydrophobicContact CB-CZ 3.96Å; F181-T200 HydrophobicContact CD1-CG2 3.66Å; F181-T200 HydrophobicContact CE1-CG2 4.1Å; F181-V202 HydrophobicContact CD1-CG2 3.57Å; F181-V202 HydrophobicContact CE1-CG2 3.79Å; F181-V202 HydrophobicContact CG-CG2 4.4Å; F181-I217 HydrophobicContact CE1-CD1 3.87Å; F181-I217 HydrophobicContact CZ-CD1 4.08Å; F181-I217 HydrophobicContact CZ-CG2 4Å; F181-H229 AromaticContact CE1-CE1 3.78Å
182	F	84	Confident	76.2	Confident	23 Å²	23	56.3 Å²	56.3	10%	0.101	33%	0.332	C	S	.	.			trans	-158.3	147.6	171.2	68.5	-73	0	0	0	111	D184 C201 R203 F238	F182-D184 HydrophobicContact CD2-CB 4.2Å; F182-D184 VanDerWaalsContact CE2-O 3.24Å; F182-D184 WeakPolarHBondContact CE2-O 3.19Å; F182-C201 HydrophobicContact CD1-CB 3.97Å; F182-C201 HydrophobicContact CE1-CB 3.43Å; F182-C201 VanDerWaalsContact CE1-CB 3.43Å; F182-C201 HydrophobicContact CE2-CB 4.17Å; F182-C201 HydrophobicContact CZ-CB 3.54Å; F182-C201 PolarHBondContact N-O 2.81Å; F182-R203 HydrophobicContact CD1-CB 4.44Å; F182-R203 HydrophobicContact CD1-CG 3.41Å; F182-R203 VanDerWaalsContact CD1-CG 3.41Å; F182-R203 HydrophobicContact CE1-CB 4.5Å; F182-R203 HydrophobicContact CE1-CG 3.67Å; F182-R203 HydrophobicContact CG-CG 4.09Å; F182-F238 HydrophobicContact CE1-CB 3.66Å; F182-F238 HydrophobicContact CE1-CG 4.34Å; F182-F238 HydrophobicContact CZ-CB 3.56Å; F182-F238 HydrophobicContact CZ-CD1 4.15Å; F182-F238 HydrophobicContact CZ-CD2 4.4Å; F182-F238 AromaticContact CZ-CG 3.81Å; F182-F238 HydrophobicContact CZ-CG 3.81Å
183	D	72.5	Confident	76.1	Confident	154 Å²	154	56.1 Å²	56.1	82%	0.824	32%	0.32	S	S	*	.	S	Bend	trans	-81.4	-28	-173.1	-61.1	-32.9	0	0	0	113.4	C185	D183-C185 PolarHBondContact O-N 2.94Å
184	D	67.6	Low	75.8	Confident	140 Å²	140	64 Å²	64	75%	0.749	35%	0.348	S	S	*	.			trans	-76.4	51	-177.2	-71.6	-23	0	0	0	113	F182 D186	F182-D184 HydrophobicContact CD2-CB 4.2Å; F182-D184 VanDerWaalsContact CE2-O 3.24Å; F182-D184 WeakPolarHBondContact CE2-O 3.19Å; D184-D186 PolarHBondContact O-N 3.01Å; D184-D186 VanDerWaalsContact O-N 3.17Å
185	C	70.4	Confident	75.5	Confident	15 Å²	15	64.8 Å²	64.8	10%	0.101	35%	0.353	C	S	.	.			trans	-56.8	120.1	159	-66.9	0	0	0	0	107.3	D183 D187 L190 C201	D183-C185 PolarHBondContact O-N 2.94Å; C185-D187 PolarHBondContact O-N 2.8Å; C185-L190 HydrophobicContact CB-CD1 3.82Å; C185-L190 HydrophobicContact CB-CG 4.47Å; C185-C201 VanDerWaalsContact CA-SG 3.51Å; C185-C201 HydrophobicContact CB-CB 4.24Å; C185-C201 WeakPolarHBondContact CB-SG 3.37Å; C185-C201 WeakPolarHBondContact SG-CB 3.11Å; C185-C201 CovalentContact SG-SG 1.99Å; C185-C201 PolarHBondContact SG-SG 3.25Å
186	D	62.8	Low	75.1	Confident	90 Å²	90	64.8 Å²	64.8	48%	0.481	36%	0.355	S	S	.	.			trans	-52.7	115.2	173.1	175.4	-12.6	0	0	0	108.5	D184 S188 F189	D184-D186 PolarHBondContact O-N 3.01Å; D184-D186 VanDerWaalsContact O-N 3.17Å; D186-S188 PolarHBondContact O-N 3.41Å; D186-S188 VanDerWaalsContact OD1-CB 3.32Å; D186-S188 WeakPolarHBondContact OD1-CB 3.18Å; D186-S188 PolarHBondContact OD1-N 3.29Å; D186-S188 VanDerWaalsContact OD1-N 3.11Å; D186-S188 PolarHBondContact OD1-OG 3.07Å; D186-S188 PolarHBondContact OD2-OG 2.97Å; D186-F189 HydrophobicContact CB-CD2 3.82Å; D186-F189 HydrophobicContact CB-CE2 4.03Å; D186-F189 PolarHBondContact O-N 3.1Å
187	D	59.5	Low	74.7	Confident	110 Å²	110	70.1 Å²	70.1	59%	0.588	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-51	-29.7	-173.1	-77.6	-36.6	0	0	0	111	C185 F189 L190 E191	C185-D187 PolarHBondContact O-N 2.8Å; D187-F189 PolarHBondContact O-N 2.98Å; D187-F189 VanDerWaalsContact O-N 3.09Å; D187-L190 CarbonylContact O-C 3.25Å; D187-L190 PolarHBondContact O-N 2.96Å; D187-E191 HydrophobicContact CB-CG 4.32Å; D187-E191 WeakPolarHBondContact O-CB 3.27Å; D187-E191 VanDerWaalsContact O-CG 3.3Å; D187-E191 WeakPolarHBondContact O-CG 3.24Å; D187-E191 PolarHBondContact O-N 3.2Å
188	S	60	Low	74.5	Confident	70 Å²	70	69.6 Å²	69.6	49%	0.49	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-58.1	-25.3	178	65.9	0	0	0	0	114.7	D186	D186-S188 PolarHBondContact O-N 3.41Å; D186-S188 VanDerWaalsContact OD1-CB 3.32Å; D186-S188 WeakPolarHBondContact OD1-CB 3.18Å; D186-S188 PolarHBondContact OD1-N 3.29Å; D186-S188 VanDerWaalsContact OD1-N 3.11Å; D186-S188 PolarHBondContact OD1-OG 3.07Å; D186-S188 PolarHBondContact OD2-OG 2.97Å
189	F	61.4	Low	74.4	Confident	77 Å²	77	67.9 Å²	67.9	34%	0.338	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-80.3	-23.2	175.8	-70.4	-88.2	0	0	0	113.2	D186 D187 T235 F238	D186-F189 HydrophobicContact CB-CD2 3.82Å; D186-F189 HydrophobicContact CB-CE2 4.03Å; D186-F189 PolarHBondContact O-N 3.1Å; D187-F189 PolarHBondContact O-N 2.98Å; D187-F189 VanDerWaalsContact O-N 3.09Å; F189-T235 HydrophobicContact CD1-CG2 4.49Å; F189-T235 HydrophobicContact CE1-CG2 3.96Å; F189-T235 HydrophobicContact CZ-CG2 4.34Å; F189-F238 AromaticContact CD2-CZ 3.87Å; F189-F238 HydrophobicContact CD2-CZ 3.87Å; F189-F238 HydrophobicContact CE2-CE1 4.24Å; F189-F238 AromaticContact CE2-CZ 3.93Å; F189-F238 HydrophobicContact CE2-CZ 3.93Å; F189-F238 HydrophobicContact CG-CZ 4.17Å; F189-F238 HydrophobicContact CZ-CZ 4.28Å
190	L	63.9	Low	74.2	Confident	38 Å²	38	69.6 Å²	69.6	20%	0.199	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-26	-178	-60.6	-178.5	0	0	0	111.6	C185 D187 G192 N193 A196 M199	C185-L190 HydrophobicContact CB-CD1 3.82Å; C185-L190 HydrophobicContact CB-CG 4.47Å; D187-L190 CarbonylContact O-C 3.25Å; D187-L190 PolarHBondContact O-N 2.96Å; L190-G192 PolarHBondContact O-N 2.86Å; L190-N193 PolarHBondContact O-N 2.04Å; L190-A196 HydrophobicContact CB-CB 3.8Å; L190-A196 HydrophobicContact CD2-CB 3.78Å; L190-A196 HydrophobicContact CG-CB 4.28Å; L190-M199 HydrophobicContact CD2-CB 4.18Å
191	E	58.7	Low	74.2	Confident	147 Å²	147	66.3 Å²	66.3	69%	0.687	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	119.2	179.7	-85.9	-176	-177.4	0	0	111.1	D187 N193	D187-E191 HydrophobicContact CB-CG 4.32Å; D187-E191 WeakPolarHBondContact O-CB 3.27Å; D187-E191 VanDerWaalsContact O-CG 3.3Å; D187-E191 WeakPolarHBondContact O-CG 3.24Å; D187-E191 PolarHBondContact O-N 3.2Å; E191-N193 PolarHBondContact O-N 3.41Å
192	G	64.3	Low	74.2	Confident	84 Å²	84	66.1 Å²	66.1	87%	0.866	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-8.4	-178.6	0	0	0	0	0	115.1	L190 K194	L190-G192 PolarHBondContact O-N 2.86Å; G192-K194 PolarHBondContact O-N 2.86Å
193	N	73.2	Confident	74.3	Confident	40 Å²	40	69.7 Å²	69.7	21%	0.214	37%	0.373	C	S	.	.			trans	-81.7	107	172.7	-171.2	-2.9	0	0	0	109.8	L190 E191 D195 A196	L190-N193 PolarHBondContact O-N 2.04Å; E191-N193 PolarHBondContact O-N 3.41Å; N193-D195 PolarHBondContact O-N 2.98Å; N193-D195 PolarHBondContact OD1-N 2.93Å; N193-D195 VanDerWaalsContact OD1-N 3.1Å; N193-A196 HydrophobicContact CB-CB 4.35Å; N193-A196 WeakPolarHBondContact O-CB 3.39Å; N193-A196 PolarHBondContact O-N 3.07Å
194	K	77.3	Confident	74.4	Confident	187 Å²	187	62.4 Å²	62.4	81%	0.813	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.9	178.8	-67	-176.8	179.8	-179.7	0	113.3	G192 F197	G192-K194 PolarHBondContact O-N 2.86Å; K194-F197 VanDerWaalsContact O-CD1 3.27Å; K194-F197 WeakPolarHBondContact O-CD1 3.4Å; K194-F197 WeakPolarHBondContact O-CE1 3.35Å
195	D	80.8	Confident	74.1	Confident	26 Å²	26	64.6 Å²	64.6	14%	0.139	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.9	-179.8	-54.8	-51.9	0	0	0	112.3	P128 H129 N193 F197 V198	P128-D195 VanDerWaalsContact CD-CG 3.44Å; P128-D195 WeakPolarHBondContact CD-OD2 3.39Å; P128-D195 WeakPolarHBondContact CG-OD2 3.28Å; H129-D195 IonicContact CD2-OD2 3.49Å; H129-D195 IonicContact NE2-OD2 3.75Å; N193-D195 PolarHBondContact O-N 2.98Å; N193-D195 PolarHBondContact OD1-N 2.93Å; N193-D195 VanDerWaalsContact OD1-N 3.1Å; D195-F197 PolarHBondContact O-N 2.98Å; D195-V198 HydrophobicContact CB-CG2 4.39Å; D195-V198 WeakPolarHBondContact O-CG2 3.26Å; D195-V198 PolarHBondContact O-N 3.42Å; D195-V198 VanDerWaalsContact O-N 3.15Å
196	A	81.7	Confident	73.7	Confident	21 Å²	21	68.1 Å²	68.1	17%	0.174	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-56.3	-31	176.9	0	0	0	0	0	113.1	L190 N193 V198 M199	L190-A196 HydrophobicContact CB-CB 3.8Å; L190-A196 HydrophobicContact CD2-CB 3.78Å; L190-A196 HydrophobicContact CG-CB 4.28Å; N193-A196 HydrophobicContact CB-CB 4.35Å; N193-A196 WeakPolarHBondContact O-CB 3.39Å; N193-A196 PolarHBondContact O-N 3.07Å; A196-V198 PolarHBondContact O-N 2.73Å; A196-M199 WeakPolarHBondContact O-CB 3.2Å; A196-M199 PolarHBondContact O-N 3.1Å
197	F	82	Confident	73.3	Confident	112 Å²	112	64.2 Å²	64.2	49%	0.491	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-66	-17.7	-179.1	76.3	-85.2	0	0	0	114.1	I126 K194 D195 Y246	I126-F197 HydrophobicContact CG2-CE2 4.11Å; I126-F197 HydrophobicContact CG2-CZ 3.74Å; K194-F197 VanDerWaalsContact O-CD1 3.27Å; K194-F197 WeakPolarHBondContact O-CD1 3.4Å; K194-F197 WeakPolarHBondContact O-CE1 3.35Å; D195-F197 PolarHBondContact O-N 2.98Å; F197-Y246 HydrophobicContact CD2-CD1 4.47Å
198	V	86.7	Confident	73	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-96.9	5.7	173.8	-54.8	0	0	0	0	112.4	T127 D195 A196 M242 D243 A247	T127-V198 HydrophobicContact CG2-CG2 4.28Å; D195-V198 HydrophobicContact CB-CG2 4.39Å; D195-V198 WeakPolarHBondContact O-CG2 3.26Å; D195-V198 PolarHBondContact O-N 3.42Å; D195-V198 VanDerWaalsContact O-N 3.15Å; A196-V198 PolarHBondContact O-N 2.73Å; V198-M242 HydrophobicContact CB-CG 4.14Å; V198-M242 HydrophobicContact CG2-CG 3.79Å; V198-M242 CarbonylContact O-C 3.56Å; V198-M242 WeakPolarHBondContact O-CA 3.36Å; V198-D243 PolarHBondContact O-N 3.44Å; V198-A247 HydrophobicContact CG1-CB 4.46Å
199	M	87.5	Confident	72.3	Confident	16 Å²	16	64.5 Å²	64.5	8%	0.079	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.8	-173.2	-60.1	-64	179.3	0	0	111.5	H129 L190 A196 D232 Y241 M242	H129-M199 HydrophobicContact CB-CE 4.11Å; L190-M199 HydrophobicContact CD2-CB 4.18Å; A196-M199 WeakPolarHBondContact O-CB 3.2Å; A196-M199 PolarHBondContact O-N 3.1Å; M199-D232 HydrophobicContact CE-CB 4.18Å; M199-D232 HydrophobicContact SD-CB 4.12Å; M199-Y241 CarbonylContact C-O 3.47Å; M199-Y241 WeakPolarHBondContact CA-O 3.16Å; M199-M242 HydrophobicContact SD-CB 4.17Å; M199-M242 HydrophobicContact SD-CG 4.5Å
200	T	87.5	Confident	71.6	Confident	36 Å²	36	63.3 Å²	63.3	22%	0.221	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135	178.2	-52.5	0	0	0	0	109	F181 H229 Y241	F181-T200 HydrophobicContact CD1-CG2 3.66Å; F181-T200 HydrophobicContact CE1-CG2 4.1Å; T200-H229 PolarHBondContact OG1-NE2 2.99Å; T200-Y241 PolarHBondContact N-O 2.9Å; T200-Y241 PolarHBondContact O-N 3.06Å
201	C	87.4	Confident	70.7	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.007	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.1	174	-69.2	0	0	0	0	112.2	F182 C185 F238 L240	F182-C201 HydrophobicContact CD1-CB 3.97Å; F182-C201 HydrophobicContact CE1-CB 3.43Å; F182-C201 VanDerWaalsContact CE1-CB 3.43Å; F182-C201 HydrophobicContact CE2-CB 4.17Å; F182-C201 HydrophobicContact CZ-CB 3.54Å; F182-C201 PolarHBondContact N-O 2.81Å; C185-C201 VanDerWaalsContact CA-SG 3.51Å; C185-C201 HydrophobicContact CB-CB 4.24Å; C185-C201 WeakPolarHBondContact CB-SG 3.37Å; C185-C201 WeakPolarHBondContact SG-CB 3.11Å; C185-C201 CovalentContact SG-SG 1.99Å; C185-C201 PolarHBondContact SG-SG 3.25Å; C201-F238 HydrophobicContact CB-CD2 4.24Å; C201-L240 WeakPolarHBondContact SG-CD2 3.47Å
202	V	88.4	Confident	70.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.2	173.9	-178.2	0	0	0	0	109.1	V165 D180 F181 D204 I217 F238 A239 Y241	V165-V202 HydrophobicContact CG2-CG1 4.31Å; D180-V202 CarbonylContact O-C 3.47Å; D180-V202 WeakPolarHBondContact O-CA 3.47Å; F181-V202 HydrophobicContact CD1-CG2 3.57Å; F181-V202 HydrophobicContact CE1-CG2 3.79Å; F181-V202 HydrophobicContact CG-CG2 4.4Å; V202-D204 PolarHBondContact O-N 2.93Å; V202-I217 HydrophobicContact CG2-CD1 3.67Å; V202-F238 WeakPolarHBondContact O-CA 3.29Å; V202-F238 WeakPolarHBondContact O-CB 3.29Å; V202-A239 PolarHBondContact N-O 3.48Å; V202-A239 PolarHBondContact O-N 3.48Å; V202-Y241 HydrophobicContact CB-CD2 3.8Å; V202-Y241 HydrophobicContact CB-CE2 3.89Å; V202-Y241 HydrophobicContact CG1-CE2 4.42Å; V202-Y241 HydrophobicContact CG2-CD2 3.7Å; V202-Y241 HydrophobicContact CG2-CE2 4.2Å; V202-Y241 HydrophobicContact CG2-CG 4.36Å
203	R	86	Confident	70.2	Confident	98 Å²	98	57.9 Å²	57.9	37%	0.37	32%	0.316	S	S	.	.			trans	-65.4	113.1	175.7	-62.1	-164.2	-172.6	-86.2	2.8	108.4	D180 F182	D180-R203 HydrophobicContact CB-CB 4.15Å; D180-R203 PolarHBondContact O-N 3.2Å; D180-R203 WeakPolarHBondContact OD2-CD 3.45Å; F182-R203 HydrophobicContact CD1-CB 4.44Å; F182-R203 HydrophobicContact CD1-CG 3.41Å; F182-R203 VanDerWaalsContact CD1-CG 3.41Å; F182-R203 HydrophobicContact CE1-CB 4.5Å; F182-R203 HydrophobicContact CE1-CG 3.67Å; F182-R203 HydrophobicContact CG-CG 4.09Å
204	D	74.9	Confident	70.3	Confident	1 Å²	1	57 Å²	57	1%	0.005	31%	0.313	C	S	.	.			trans	-137.9	65.2	-176.3	-160.3	-5.5	0	0	0	109.7	K177 V202 N206 S207 Q234 A239	K177-D204 IonicContact NZ-OD1 2.63Å; K177-D204 PolarHBondContact NZ-OD1 3.5Å; V202-D204 PolarHBondContact O-N 2.93Å; D204-N206 PolarHBondContact O-N 3.41Å; D204-S207 VanDerWaalsContact CG-CB 3.41Å; D204-S207 WeakPolarHBondContact OD1-CB 3.49Å; D204-S207 PolarHBondContact OD1-N 3.04Å; D204-S207 VanDerWaalsContact OD1-N 3.14Å; D204-S207 PolarHBondContact OD1-OG 3.42Å; D204-S207 WeakPolarHBondContact OD2-CB 3.43Å; D204-S207 PolarHBondContact OD2-OG 3.43Å; D204-Q234 PolarHBondContact O-NE2 3.44Å; D204-A239 HydrophobicContact CB-CB 4.08Å
205	R	62.7	Low	70.9	Confident	186 Å²	186	48.2 Å²	48.2	70%	0.702	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.9	-175.9	-67.3	-177.2	177.2	174.3	0.1	113.5
206	N	60.7	Low	71.3	Confident	89 Å²	89	47 Å²	47	48%	0.476	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	10.7	-168.8	-64.9	-18.5	0	0	0	113.6	E56 D204 S208	E56-N206 VanDerWaalsContact CD-ND2 3.27Å; E56-N206 PolarHBondContact OE1-ND2 2.95Å; E56-N206 VanDerWaalsContact OE1-ND2 3.08Å; E56-N206 PolarHBondContact OE2-ND2 3.37Å; D204-N206 PolarHBondContact O-N 3.41Å; N206-S208 PolarHBondContact O-N 3.41Å
207	S	55.2	Low	71.8	Confident	9 Å²	9	46 Å²	46	6%	0.063	26%	0.26	C	S	.	.	S	Bend	trans	-65.9	134.4	170.3	56	0	0	0	0	108.9	D204 T209 Q234	D204-S207 VanDerWaalsContact CG-CB 3.41Å; D204-S207 WeakPolarHBondContact OD1-CB 3.49Å; D204-S207 PolarHBondContact OD1-N 3.04Å; D204-S207 VanDerWaalsContact OD1-N 3.14Å; D204-S207 PolarHBondContact OD1-OG 3.42Å; D204-S207 WeakPolarHBondContact OD2-CB 3.43Å; D204-S207 PolarHBondContact OD2-OG 3.43Å; S207-T209 PolarHBondContact O-N 3.29Å; S207-Q234 PolarHBondContact OG-OE1 2.95Å
208	S	52.2	Low	72.2	Confident	54 Å²	54	40.7 Å²	40.7	38%	0.378	24%	0.237	S	C	.	.			trans	-60.5	118.2	176	63.2	0	0	0	0	108.3	E167 N206 S210 T213	E167-S208 PolarHBondContact OE1-OG 3.14Å; N206-S208 PolarHBondContact O-N 3.41Å; S208-S210 PolarHBondContact O-N 2.8Å; S208-T213 PolarHBondContact O-OG1 3.12Å; S208-T213 WeakPolarHBondContact OG-CG2 3.48Å
209	T	45	Very low	72.4	Confident	132 Å²	132	40.6 Å²	40.6	81%	0.81	24%	0.237	S	C	*	.			trans	-64	10.3	-178.8	47.2	0	0	0	0	114	S207 A211	S207-T209 PolarHBondContact O-N 3.29Å; T209-A211 PolarHBondContact O-N 3.16Å
210	S	47.2	Very low	72.3	Confident	52 Å²	52	41.5 Å²	41.5	36%	0.364	24%	0.242	S	C	.	.			trans	-70	121.4	-179.7	68.5	0	0	0	0	109.2	S208 G212 T213	S208-S210 PolarHBondContact O-N 2.8Å; S210-G212 PolarHBondContact O-N 2.63Å; S210-T213 PolarHBondContact O-N 2.96Å; S210-T213 VanDerWaalsContact O-N 3.08Å; S210-T213 WeakPolarHBondContact OG-CG2 3.09Å
211	A	45.9	Very low	71.9	Confident	111 Å²	111	42.4 Å²	42.4	92%	0.917	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	18.7	-177.8	0	0	0	0	0	115.4	T209	T209-A211 PolarHBondContact O-N 3.16Å
212	G	53.2	Low	71.4	Confident	33 Å²	33	49.8 Å²	49.8	34%	0.34	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-6.2	176.7	0	0	0	0	0	114.5	S210 S214	S210-G212 PolarHBondContact O-N 2.63Å; G212-S214 PolarHBondContact O-N 3.07Å
213	T	59.7	Low	70.9	Confident	10 Å²	10	51.9 Å²	51.9	6%	0.061	30%	0.304	C	S	.	.			trans	-82.9	111.8	175.4	66.5	0	0	0	0	109.7	E167 A168 S208 S210 K231	E167-T213 HydrophobicContact CG-CG2 4.48Å; E167-T213 WeakPolarHBondContact OE1-CB 3.4Å; E167-T213 PolarHBondContact OE1-OG1 3.09Å; A168-T213 VanDerWaalsContact O-CB 3.27Å; A168-T213 WeakPolarHBondContact O-CB 3.14Å; A168-T213 WeakPolarHBondContact O-CG2 3.25Å; S208-T213 PolarHBondContact O-OG1 3.12Å; S208-T213 WeakPolarHBondContact OG-CG2 3.48Å; S210-T213 PolarHBondContact O-N 2.96Å; S210-T213 VanDerWaalsContact O-N 3.08Å; S210-T213 WeakPolarHBondContact OG-CG2 3.09Å; T213-K231 WeakPolarHBondContact O-CE 3.1Å; T213-K231 PolarHBondContact O-NZ 2.51Å; T213-K231 PolarHBondContact OG1-NZ 2.76Å
214	S	74.6	Confident	70.5	Confident	23 Å²	23	51.5 Å²	51.5	16%	0.161	30%	0.303	C	S	.	.			trans	-85.2	140	162.5	61	0	0	0	0	108.3	H79 A168 G212	H79-S214 WeakPolarHBondContact CB-OG 3.3Å; H79-S214 PolarHBondContact CD2-OG 3.15Å; A168-S214 PolarHBondContact N-O 2.9Å; G212-S214 PolarHBondContact O-N 3.07Å
215	S	88.5	Confident	70.9	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.9	170.1	49.3	0	0	0	0	110.4	Y81 I166 K231 Y241	Y81-S215 WeakPolarHBondContact OH-CA 3.19Å; I166-S215 CarbonylContact O-C 3.57Å; I166-S215 WeakPolarHBondContact O-CA 3.04Å; I166-S215 WeakPolarHBondContact O-CB 3.47Å; S215-K231 WeakPolarHBondContact O-CB 3.13Å; S215-K231 PolarHBondContact O-N 2.9Å; S215-K231 WeakPolarHBondContact OG-CB 3.26Å; S215-K231 WeakPolarHBondContact OG-CD 3.29Å; S215-K231 VanDerWaalsContact OG-CE 3.26Å; S215-K231 WeakPolarHBondContact OG-CE 3.47Å; S215-Y241 WeakPolarHBondContact CB-OH 3.46Å; S215-Y241 PolarHBondContact OG-OH 3.47Å
216	S	91.2	Very high	72	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159.2	174.6	52	0	0	0	0	109.3	Y81 V165 I166 H229	Y81-S216 WeakPolarHBondContact CE1-OG 3.33Å; Y81-S216 VanDerWaalsContact CZ-OG 3.32Å; Y81-S216 PolarHBondContact OH-N 3.11Å; Y81-S216 VanDerWaalsContact OH-N 3.11Å; Y81-S216 PolarHBondContact OH-OG 2.85Å; V165-S216 WeakPolarHBondContact CA-O 3.46Å; I166-S216 PolarHBondContact N-O 2.91Å; I166-S216 PolarHBondContact O-N 2.87Å; S216-H229 CarbonylContact C-O 3.43Å; S216-H229 VanDerWaalsContact CA-O 3.29Å; S216-H229 WeakPolarHBondContact CA-O 3.32Å; S216-H229 WeakPolarHBondContact CB-O 3.19Å
217	I	91.7	Very high	73.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.1	167.6	-55.3	177.8	0	0	0	108.2	C163 L164 V165 A179 F181 V202 T228 H229 Y241	C163-I217 HydrophobicContact CB-CG2 3.92Å; L164-I217 VanDerWaalsContact O-CA 3.3Å; L164-I217 WeakPolarHBondContact O-CA 3.26Å; V165-I217 HydrophobicContact CG2-CG1 4.25Å; A179-I217 HydrophobicContact CB-CD1 4.4Å; A179-I217 HydrophobicContact CB-CG2 4.1Å; F181-I217 HydrophobicContact CE1-CD1 3.87Å; F181-I217 HydrophobicContact CZ-CD1 4.08Å; F181-I217 HydrophobicContact CZ-CG2 4Å; V202-I217 HydrophobicContact CG2-CD1 3.67Å; I217-T228 PolarHBondContact O-N 3.07Å; I217-T228 PolarHBondContact O-OG1 3.33Å; I217-H229 HydrophobicContact CB-CB 3.9Å; I217-H229 HydrophobicContact CD1-CB 4.02Å; I217-H229 HydrophobicContact CG1-CB 4.08Å; I217-H229 PolarHBondContact N-O 3.24Å; I217-H229 PolarHBondContact O-N 3.19Å; I217-Y241 HydrophobicContact CD1-CD1 3.65Å; I217-Y241 HydrophobicContact CD1-CD2 4.05Å; I217-Y241 HydrophobicContact CD1-CE1 3.98Å; I217-Y241 HydrophobicContact CD1-CE2 4.32Å; I217-Y241 HydrophobicContact CD1-CG 3.7Å; I217-Y241 HydrophobicContact CG1-CD1 3.67Å; I217-Y241 HydrophobicContact CG1-CE1 3.7Å; I217-Y241 HydrophobicContact CG1-CG 4.26Å
218	I	90.4	Very high	75	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.4	167.2	59.7	176.1	0	0	0	109.3	L48 M65 F67 C163 L164 I166 W225 Y226 L227	L48-I218 HydrophobicContact CD1-CD1 3.6Å; M65-I218 HydrophobicContact CE-CD1 4.23Å; F67-I218 HydrophobicContact CE2-CG2 4.29Å; F67-I218 HydrophobicContact CZ-CG2 3.8Å; C163-I218 CarbonylContact C-O 3.51Å; C163-I218 VanDerWaalsContact CA-O 3.25Å; C163-I218 WeakPolarHBondContact CA-O 2.88Å; L164-I218 HydrophobicContact CB-CG1 4.01Å; L164-I218 PolarHBondContact N-O 3.22Å; L164-I218 PolarHBondContact O-N 2.95Å; I166-I218 HydrophobicContact CD1-CD1 4.06Å; I166-I218 HydrophobicContact CD1-CG1 4.37Å; I166-I218 HydrophobicContact CG1-CD1 3.92Å; I166-I218 HydrophobicContact CG1-CG1 3.98Å; I218-W225 HydrophobicContact CB-CE3 4.04Å; I218-W225 HydrophobicContact CD1-CD2 4.31Å; I218-W225 HydrophobicContact CD1-CE3 3.85Å; I218-W225 HydrophobicContact CD1-CZ3 4.33Å; I218-W225 HydrophobicContact CG1-CE3 3.7Å; I218-W225 HydrophobicContact CG1-CZ3 4Å; I218-Y226 CarbonylContact C-O 3.48Å; I218-Y226 WeakPolarHBondContact CA-O 3.49Å; I218-Y226 WeakPolarHBondContact CB-O 2.89Å; I218-L227 HydrophobicContact CG2-CD1 4.13Å
219	C	89.6	Confident	76.9	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.4	178.1	-61.9	0	0	0	0	111.1	S162 C163 W225 Y226 T228	S162-C219 WeakPolarHBondContact O-CA 3.04Å; C163-C219 HydrophobicContact CB-CB 4.13Å; C163-C219 WeakPolarHBondContact CB-SG 3.42Å; C163-C219 WeakPolarHBondContact SG-CB 3.39Å; C163-C219 CovalentContact SG-SG 2.04Å; C163-C219 PolarHBondContact SG-SG 2.83Å; C219-W225 CarbonylContact O-C 3.51Å; C219-W225 WeakPolarHBondContact O-CA 3.31Å; C219-Y226 PolarHBondContact N-O 2.93Å; C219-Y226 PolarHBondContact O-N 2.82Å; C219-T228 HydrophobicContact CB-CG2 3.66Å; C219-T228 PolarHBondContact SG-OG1 3.49Å
220	L	85.7	Confident	79.1	Confident	35 Å²	35	31.8 Å²	31.8	18%	0.183	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.5	176.1	-179.5	66.2	0	0	0	109.7	S162 R224 W225	S162-L220 PolarHBondContact O-N 3.41Å; L220-R224 CarbonylContact C-O 3.59Å; L220-R224 WeakPolarHBondContact CA-O 3.5Å; L220-W225 HydrophobicContact CB-CD2 4.12Å; L220-W225 HydrophobicContact CB-CE3 4.1Å; L220-W225 HydrophobicContact CB-CH2 3.98Å; L220-W225 HydrophobicContact CB-CZ2 3.98Å; L220-W225 HydrophobicContact CB-CZ3 4.03Å; L220-W225 HydrophobicContact CD1-CD2 4.32Å; L220-W225 HydrophobicContact CD1-CG 4.38Å; L220-W225 HydrophobicContact CD2-CZ2 4.43Å
221	E	80.6	Confident	81.2	Confident	55 Å²	55	30.5 Å²	30.5	26%	0.257	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	178.7	-71.7	-64.3	161.1	0	0	109.4	M151 G223 R224 Y226	M151-E221 HydrophobicContact SD-CG 4.16Å; E221-G223 PolarHBondContact O-N 2.82Å; E221-R224 PolarHBondContact N-O 3.07Å; E221-R224 PolarHBondContact O-N 2.83Å; E221-R224 VanDerWaalsContact O-O 3.14Å; E221-Y226 HydrophobicContact CB-CD2 3.91Å; E221-Y226 HydrophobicContact CB-CE2 3.86Å
222	N	76.9	Confident	83.1	Confident	156 Å²	156	26.2 Å²	26.2	83%	0.834	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	40.6	-178	-60.4	-55.1	0	0	0	113.9	R224	N222-R224 VanDerWaalsContact C-N 3.26Å; N222-R224 PolarHBondContact O-N 3.18Å
223	G	76.6	Confident	84.5	Confident	44 Å²	44	29 Å²	29	45%	0.454	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	10.7	-179	0	0	0	0	0	114.4	E221	E221-G223 PolarHBondContact O-N 2.82Å
224	R	78	Confident	85.5	Confident	90 Å²	90	31 Å²	31	34%	0.34	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.5	-177.1	-61.9	-175.4	163.3	158.8	2	111.5	E39 L220 E221 N222 Y226	E39-R224 HydrophobicContact CG-CB 4.1Å; E39-R224 HydrophobicContact CG-CG 3.67Å; E39-R224 IonicContact OE1-CZ 3.75Å; E39-R224 IonicContact OE1-NE 3.58Å; E39-R224 PolarHBondContact OE1-NE 3.01Å; E39-R224 IonicContact OE1-NH2 3.79Å; E39-R224 PolarHBondContact OE1-NH2 3.36Å; L220-R224 CarbonylContact C-O 3.59Å; L220-R224 WeakPolarHBondContact CA-O 3.5Å; E221-R224 PolarHBondContact N-O 3.07Å; E221-R224 PolarHBondContact O-N 2.83Å; E221-R224 VanDerWaalsContact O-O 3.14Å; N222-R224 VanDerWaalsContact C-N 3.26Å; N222-R224 PolarHBondContact O-N 3.18Å; R224-Y226 HydrophobicContact CB-CD2 4.39Å; R224-Y226 HydrophobicContact CB-CE2 3.58Å; R224-Y226 WeakPolarHBondContact CD-OH 3.31Å; R224-Y226 VanDerWaalsContact O-CD2 3.3Å; R224-Y226 WeakPolarHBondContact O-CD2 3.33Å; R224-Y226 WeakPolarHBondContact O-CE2 3.44Å
225	W	83.8	Confident	85.6	Confident	9 Å²	9	31.2 Å²	31.2	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.8	171.9	-67.8	92.4	0	0	0	110.2	C40 L42 L48 N49 L52 S162 L164 I218 C219 L220	C40-W225 HydrophobicContact CB-CB 4Å; C40-W225 PolarHBondContact SG-O 3.3Å; L42-W225 HydrophobicContact CD1-CB 4Å; L42-W225 HydrophobicContact CD1-CG 3.93Å; L48-W225 HydrophobicContact CB-CH2 4.42Å; L48-W225 HydrophobicContact CB-CZ2 3.73Å; L48-W225 HydrophobicContact CD1-CD2 3.98Å; L48-W225 HydrophobicContact CD1-CG 4.23Å; L48-W225 HydrophobicContact CD1-CZ2 4.25Å; N49-W225 WeakPolarHBondContact OD1-CZ2 3.33Å; L52-W225 HydrophobicContact CD1-CH2 4.37Å; L52-W225 HydrophobicContact CD2-CH2 4.05Å; L52-W225 HydrophobicContact CG-CH2 4.35Å; S162-W225 WeakPolarHBondContact O-CZ3 3.43Å; L164-W225 HydrophobicContact CB-CZ3 4.44Å; L164-W225 HydrophobicContact CD1-CH2 3.57Å; L164-W225 HydrophobicContact CD1-CZ2 4.23Å; L164-W225 HydrophobicContact CD1-CZ3 3.92Å; L164-W225 HydrophobicContact CG-CH2 3.77Å; L164-W225 HydrophobicContact CG-CZ3 3.91Å; I218-W225 HydrophobicContact CB-CE3 4.04Å; I218-W225 HydrophobicContact CD1-CD2 4.31Å; I218-W225 HydrophobicContact CD1-CE3 3.85Å; I218-W225 HydrophobicContact CD1-CZ3 4.33Å; I218-W225 HydrophobicContact CG1-CE3 3.7Å; I218-W225 HydrophobicContact CG1-CZ3 4Å; C219-W225 CarbonylContact O-C 3.51Å; C219-W225 WeakPolarHBondContact O-CA 3.31Å; L220-W225 HydrophobicContact CB-CD2 4.12Å; L220-W225 HydrophobicContact CB-CE3 4.1Å; L220-W225 HydrophobicContact CB-CH2 3.98Å; L220-W225 HydrophobicContact CB-CZ2 3.98Å; L220-W225 HydrophobicContact CB-CZ3 4.03Å; L220-W225 HydrophobicContact CD1-CD2 4.32Å; L220-W225 HydrophobicContact CD1-CG 4.38Å; L220-W225 HydrophobicContact CD2-CZ2 4.43Å
226	Y	86	Confident	85	Confident	42 Å²	42	37.4 Å²	37.4	17%	0.165	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.4	174.9	-64.5	-88	0	0	0	110.7	C40 R149 M151 I218 C219 E221 R224 T228	C40-Y226 VanDerWaalsContact SG-CA 3.58Å; R149-Y226 HydrophobicContact CB-CD1 4.27Å; R149-Y226 WeakPolarHBondContact O-CA 3.45Å; M151-Y226 HydrophobicContact CB-CG 4.46Å; I218-Y226 CarbonylContact C-O 3.48Å; I218-Y226 WeakPolarHBondContact CA-O 3.49Å; I218-Y226 WeakPolarHBondContact CB-O 2.89Å; C219-Y226 PolarHBondContact N-O 2.93Å; C219-Y226 PolarHBondContact O-N 2.82Å; E221-Y226 HydrophobicContact CB-CD2 3.91Å; E221-Y226 HydrophobicContact CB-CE2 3.86Å; R224-Y226 HydrophobicContact CB-CD2 4.39Å; R224-Y226 HydrophobicContact CB-CE2 3.58Å; R224-Y226 WeakPolarHBondContact CD-OH 3.31Å; R224-Y226 VanDerWaalsContact O-CD2 3.3Å; R224-Y226 WeakPolarHBondContact O-CD2 3.33Å; R224-Y226 WeakPolarHBondContact O-CE2 3.44Å; Y226-T228 PolarHBondContact O-N 3.15Å
227	L	89	Confident	84.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	109.3	167.4	-169.5	69.1	0	0	0	108.6	F67 Y81 V83 C148 R149 Y150 I218 L244	F67-L227 HydrophobicContact CE2-CD1 4.25Å; Y81-L227 HydrophobicContact CG-CD1 4.33Å; Y81-L227 HydrophobicContact CG-CD2 4.28Å; V83-L227 HydrophobicContact CG1-CD2 3.6Å; C148-L227 HydrophobicContact CB-CB 4.42Å; C148-L227 VanDerWaalsContact SG-CB 3.6Å; C148-L227 PolarHBondContact SG-N 2.89Å; C148-L227 VanDerWaalsContact SG-N 3.37Å; R149-L227 PolarHBondContact O-N 3.02Å; Y150-L227 WeakPolarHBondContact CA-O 3.47Å; Y150-L227 WeakPolarHBondContact CB-O 3.45Å; I218-L227 HydrophobicContact CG2-CD1 4.13Å; L227-L244 HydrophobicContact CB-CD1 4.3Å; L227-L244 HydrophobicContact CD2-CD1 3.47Å; L227-L244 VanDerWaalsContact CD2-CD1 3.47Å; L227-L244 HydrophobicContact CG-CD1 3.53Å
228	T	90	Very high	83.9	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-36	-175.1	57.6	0	0	0	0	112.2	M151 I157 I217 C219 Y226 L244	M151-T228 HydrophobicContact CB-CG2 4.34Å; M151-T228 HydrophobicContact CE-CG2 4.33Å; I157-T228 VanDerWaalsContact CD1-CB 3.47Å; I157-T228 HydrophobicContact CD1-CG2 3.6Å; I217-T228 PolarHBondContact O-N 3.07Å; I217-T228 PolarHBondContact O-OG1 3.33Å; C219-T228 HydrophobicContact CB-CG2 3.66Å; C219-T228 PolarHBondContact SG-OG1 3.49Å; Y226-T228 PolarHBondContact O-N 3.15Å; T228-L244 WeakPolarHBondContact O-CB 3.36Å; T228-L244 PolarHBondContact O-N 2.99Å
229	H	91.8	Very high	83.7	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	161	-179	-52.3	71.1	0	0	0	114.3	F181 T200 S216 I217 Y241 M242 D243	F181-H229 AromaticContact CE1-CE1 3.78Å; T200-H229 PolarHBondContact OG1-NE2 2.99Å; S216-H229 CarbonylContact C-O 3.43Å; S216-H229 VanDerWaalsContact CA-O 3.29Å; S216-H229 WeakPolarHBondContact CA-O 3.32Å; S216-H229 WeakPolarHBondContact CB-O 3.19Å; I217-H229 HydrophobicContact CB-CB 3.9Å; I217-H229 HydrophobicContact CD1-CB 4.02Å; I217-H229 HydrophobicContact CG1-CB 4.08Å; I217-H229 PolarHBondContact N-O 3.24Å; I217-H229 PolarHBondContact O-N 3.19Å; H229-Y241 HydrophobicContact CB-CD1 4.11Å; H229-Y241 HydrophobicContact CB-CG 4.39Å; H229-M242 CarbonylContact C-O 3.52Å; H229-M242 WeakPolarHBondContact CA-O 3.42Å; H229-M242 VanDerWaalsContact CB-O 3.29Å; H229-M242 WeakPolarHBondContact CB-O 3.38Å; H229-D243 IonicContact NE2-OD2 3.46Å
230	M	91.3	Very high	83.6	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.4	171.4	-71.6	176.3	54.7	0	0	110.8	Y81 L96 T97 T98 L130 D232 Y241 M242 L244	Y81-M230 HydrophobicContact CD2-CE 3.88Å; Y81-M230 HydrophobicContact CD2-CG 4Å; Y81-M230 HydrophobicContact CD2-SD 3.93Å; Y81-M230 HydrophobicContact CE2-CE 4.19Å; Y81-M230 HydrophobicContact CE2-CG 4.17Å; L96-M230 HydrophobicContact CB-CE 4.07Å; L96-M230 HydrophobicContact CB-SD 3.64Å; L96-M230 HydrophobicContact CD1-SD 4.33Å; T97-M230 VanDerWaalsContact CA-CE 3.47Å; T98-M230 HydrophobicContact CG2-CE 4.43Å; L130-M230 HydrophobicContact CD1-CE 4.2Å; L130-M230 HydrophobicContact CD1-SD 3.99Å; M230-D232 PolarHBondContact O-N 2.95Å; M230-Y241 CarbonylContact O-C 3.55Å; M230-Y241 WeakPolarHBondContact O-CA 3.48Å; M230-M242 PolarHBondContact N-O 2.74Å; M230-M242 PolarHBondContact O-N 3.08Å; M230-L244 HydrophobicContact CG-CD1 4.07Å; M230-L244 HydrophobicContact CG-CD2 4.15Å; M230-L244 HydrophobicContact CG-CG 4.36Å; M230-L244 HydrophobicContact SD-CD1 4.09Å; M230-L244 HydrophobicContact SD-CD2 3.91Å
231	K	89.9	Confident	83.8	Confident	25 Å²	25	38.2 Å²	38.2	11%	0.109	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	123.5	180	-175.3	173.5	62.6	-178.2	0	110.4	T98 T213 S215 A239 Y241	T98-K231 WeakPolarHBondContact CG2-O 3.18Å; T213-K231 WeakPolarHBondContact O-CE 3.1Å; T213-K231 PolarHBondContact O-NZ 2.51Å; T213-K231 PolarHBondContact OG1-NZ 2.76Å; S215-K231 WeakPolarHBondContact O-CB 3.13Å; S215-K231 PolarHBondContact O-N 2.9Å; S215-K231 WeakPolarHBondContact OG-CB 3.26Å; S215-K231 WeakPolarHBondContact OG-CD 3.29Å; S215-K231 VanDerWaalsContact OG-CE 3.26Å; S215-K231 WeakPolarHBondContact OG-CE 3.47Å; K231-A239 HydrophobicContact CD-CB 4.25Å; K231-A239 HydrophobicContact CG-CB 4.4Å; K231-Y241 HydrophobicContact CB-CD1 3.96Å; K231-Y241 HydrophobicContact CB-CE1 3.61Å; K231-Y241 HydrophobicContact CG-CE1 4.42Å; K231-Y241 VanDerWaalsContact N-CD1 3.32Å
232	D	86	Confident	84.3	Confident	21 Å²	21	35.6 Å²	35.6	11%	0.112	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-59.4	169.4	176.1	62.2	0	0	0	109.3	H129 M199 M230 L240	H129-D232 IonicContact CE1-OD1 3.76Å; H129-D232 IonicContact CG-OD1 2.73Å; H129-D232 IonicContact ND1-OD1 2.82Å; H129-D232 PolarHBondContact ND1-OD1 2.89Å; H129-D232 IonicContact ND1-OD2 3.88Å; M199-D232 HydrophobicContact CE-CB 4.18Å; M199-D232 HydrophobicContact SD-CB 4.12Å; M230-D232 PolarHBondContact O-N 2.95Å; D232-L240 PolarHBondContact N-O 3.48Å
233	R	82.7	Confident	84.9	Confident	92 Å²	92	28.7 Å²	28.7	35%	0.347	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	162	-177.6	73.3	-173.8	92.8	161.5	9.3	112.5	A239 L240	R233-A239 WeakPolarHBondContact O-CA 3.17Å; R233-L240 HydrophobicContact CG-CB 4.07Å; R233-L240 HydrophobicContact CG-CD1 3.9Å; R233-L240 HydrophobicContact CG-CG 4.32Å; R233-L240 PolarHBondContact N-O 3.41Å; R233-L240 PolarHBondContact O-N 3.03Å
234	Q	81.3	Confident	85.5	Confident	52 Å²	52	26.6 Å²	26.6	24%	0.243	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.2	176.9	-179.6	67.9	46.2	0	0	110.2	D204 S207 F238	D204-Q234 PolarHBondContact O-NE2 3.44Å; S207-Q234 PolarHBondContact OG-OE1 2.95Å; Q234-F238 PolarHBondContact NE2-O 3.09Å; Q234-F238 VanDerWaalsContact NE2-O 3.15Å
235	T	77.8	Confident	85.9	Confident	27 Å²	27	22.3 Å²	22.3	17%	0.166	12%	0.123	C	C	.	.			trans	-114.5	-179.6	170.2	76.1	0	0	0	0	110.4	F189 G237 F238	F189-T235 HydrophobicContact CD1-CG2 4.49Å; F189-T235 HydrophobicContact CE1-CG2 3.96Å; F189-T235 HydrophobicContact CZ-CG2 4.34Å; T235-G237 PolarHBondContact O-N 2.97Å; T235-G237 PolarHBondContact OG1-N 3.36Å; T235-F238 WeakPolarHBondContact CA-O 3.19Å; T235-F238 WeakPolarHBondContact CB-O 3.2Å; T235-F238 HydrophobicContact CG2-CD2 4.34Å; T235-F238 HydrophobicContact CG2-CE1 4.22Å; T235-F238 HydrophobicContact CG2-CE2 3.85Å; T235-F238 HydrophobicContact CG2-CZ 3.77Å; T235-F238 PolarHBondContact N-O 3.05Å; T235-F238 WeakPolarHBondContact OG1-CD1 3.39Å; T235-F238 WeakPolarHBondContact OG1-CE1 3.43Å; T235-F238 WeakPolarHBondContact OG1-CG 3.49Å; T235-F238 PolarHBondContact OG1-N 3.45Å; T235-F238 VanDerWaalsContact OG1-N 3.16Å; T235-F238 PolarHBondContact OG1-O 3.37Å
236	S	74	Confident	86	Confident	132 Å²	132	25 Å²	25	92%	0.923	13%	0.134	S	C	*	.	S	Bend	trans	-67.9	-18.8	178.6	53.1	0	0	0	0	114.4
237	G	77.1	Confident	86	Confident	29 Å²	29	23 Å²	23	30%	0.299	13%	0.126	S	C	.	.	S	Bend	trans	-121.9	-22.8	-176.6	0	0	0	0	0	115.4	T235	T235-G237 PolarHBondContact O-N 2.97Å; T235-G237 PolarHBondContact OG1-N 3.36Å
238	F	83.7	Confident	85.8	Confident	22 Å²	22	23.4 Å²	23.4	10%	0.096	13%	0.128	C	C	.	.			trans	-154.6	164.4	-173.8	64.2	-88.8	0	0	0	111.5	F182 F189 C201 V202 Q234 T235 L240	F182-F238 HydrophobicContact CE1-CB 3.66Å; F182-F238 HydrophobicContact CE1-CG 4.34Å; F182-F238 HydrophobicContact CZ-CB 3.56Å; F182-F238 HydrophobicContact CZ-CD1 4.15Å; F182-F238 HydrophobicContact CZ-CD2 4.4Å; F182-F238 AromaticContact CZ-CG 3.81Å; F182-F238 HydrophobicContact CZ-CG 3.81Å; F189-F238 AromaticContact CD2-CZ 3.87Å; F189-F238 HydrophobicContact CD2-CZ 3.87Å; F189-F238 HydrophobicContact CE2-CE1 4.24Å; F189-F238 AromaticContact CE2-CZ 3.93Å; F189-F238 HydrophobicContact CE2-CZ 3.93Å; F189-F238 HydrophobicContact CG-CZ 4.17Å; F189-F238 HydrophobicContact CZ-CZ 4.28Å; C201-F238 HydrophobicContact CB-CD2 4.24Å; V202-F238 WeakPolarHBondContact O-CA 3.29Å; V202-F238 WeakPolarHBondContact O-CB 3.29Å; Q234-F238 PolarHBondContact NE2-O 3.09Å; Q234-F238 VanDerWaalsContact NE2-O 3.15Å; T235-F238 WeakPolarHBondContact CA-O 3.19Å; T235-F238 WeakPolarHBondContact CB-O 3.2Å; T235-F238 HydrophobicContact CG2-CD2 4.34Å; T235-F238 HydrophobicContact CG2-CE1 4.22Å; T235-F238 HydrophobicContact CG2-CE2 3.85Å; T235-F238 HydrophobicContact CG2-CZ 3.77Å; T235-F238 PolarHBondContact N-O 3.05Å; T235-F238 WeakPolarHBondContact OG1-CD1 3.39Å; T235-F238 WeakPolarHBondContact OG1-CE1 3.43Å; T235-F238 WeakPolarHBondContact OG1-CG 3.49Å; T235-F238 PolarHBondContact OG1-N 3.45Å; T235-F238 VanDerWaalsContact OG1-N 3.16Å; T235-F238 PolarHBondContact OG1-O 3.37Å; F238-L240 HydrophobicContact CD2-CD2 4.26Å; F238-L240 HydrophobicContact CD2-CG 4.38Å; F238-L240 HydrophobicContact CE2-CD2 3.76Å; F238-L240 HydrophobicContact CE2-CG 3.87Å
239	A	87.1	Confident	84.9	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.8	165.5	0	0	0	0	0	110.9	V202 D204 K231 R233 Y241	V202-A239 PolarHBondContact N-O 3.48Å; V202-A239 PolarHBondContact O-N 3.48Å; D204-A239 HydrophobicContact CB-CB 4.08Å; K231-A239 HydrophobicContact CD-CB 4.25Å; K231-A239 HydrophobicContact CG-CB 4.4Å; R233-A239 WeakPolarHBondContact O-CA 3.17Å; A239-Y241 HydrophobicContact CB-CD2 3.94Å; A239-Y241 HydrophobicContact CB-CE2 3.48Å; A239-Y241 VanDerWaalsContact CB-CE2 3.48Å
240	L	87.1	Confident	83.3	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.7	166.6	-67.3	174.7	0	0	0	108.5	C201 D232 R233 F238	C201-L240 WeakPolarHBondContact SG-CD2 3.47Å; D232-L240 PolarHBondContact N-O 3.48Å; R233-L240 HydrophobicContact CG-CB 4.07Å; R233-L240 HydrophobicContact CG-CD1 3.9Å; R233-L240 HydrophobicContact CG-CG 4.32Å; R233-L240 PolarHBondContact N-O 3.41Å; R233-L240 PolarHBondContact O-N 3.03Å; F238-L240 HydrophobicContact CD2-CD2 4.26Å; F238-L240 HydrophobicContact CD2-CG 4.38Å; F238-L240 HydrophobicContact CE2-CD2 3.76Å; F238-L240 HydrophobicContact CE2-CG 3.87Å
241	Y	90.4	Very high	81.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.7	176	-79.9	-95.6	0	0	0	108.8	V165 M199 T200 V202 S215 I217 H229 M230 K231 A239	V165-Y241 WeakPolarHBondContact CG1-OH 3.36Å; M199-Y241 CarbonylContact C-O 3.47Å; M199-Y241 WeakPolarHBondContact CA-O 3.16Å; T200-Y241 PolarHBondContact N-O 2.9Å; T200-Y241 PolarHBondContact O-N 3.06Å; V202-Y241 HydrophobicContact CB-CD2 3.8Å; V202-Y241 HydrophobicContact CB-CE2 3.89Å; V202-Y241 HydrophobicContact CG1-CE2 4.42Å; V202-Y241 HydrophobicContact CG2-CD2 3.7Å; V202-Y241 HydrophobicContact CG2-CE2 4.2Å; V202-Y241 HydrophobicContact CG2-CG 4.36Å; S215-Y241 WeakPolarHBondContact CB-OH 3.46Å; S215-Y241 PolarHBondContact OG-OH 3.47Å; I217-Y241 HydrophobicContact CD1-CD1 3.65Å; I217-Y241 HydrophobicContact CD1-CD2 4.05Å; I217-Y241 HydrophobicContact CD1-CE1 3.98Å; I217-Y241 HydrophobicContact CD1-CE2 4.32Å; I217-Y241 HydrophobicContact CD1-CG 3.7Å; I217-Y241 HydrophobicContact CG1-CD1 3.67Å; I217-Y241 HydrophobicContact CG1-CE1 3.7Å; I217-Y241 HydrophobicContact CG1-CG 4.26Å; H229-Y241 HydrophobicContact CB-CD1 4.11Å; H229-Y241 HydrophobicContact CB-CG 4.39Å; M230-Y241 CarbonylContact O-C 3.55Å; M230-Y241 WeakPolarHBondContact O-CA 3.48Å; K231-Y241 HydrophobicContact CB-CD1 3.96Å; K231-Y241 HydrophobicContact CB-CE1 3.61Å; K231-Y241 HydrophobicContact CG-CE1 4.42Å; K231-Y241 VanDerWaalsContact N-CD1 3.32Å; A239-Y241 HydrophobicContact CB-CD2 3.94Å; A239-Y241 HydrophobicContact CB-CE2 3.48Å; A239-Y241 VanDerWaalsContact CB-CE2 3.48Å
242	M	89.4	Confident	78.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.2	172.3	-169.5	-164.9	-33.1	0	0	109.9	T127 H129 L130 V198 M199 H229 M230 L244 A247	T127-M242 HydrophobicContact CG2-CG 4.5Å; T127-M242 HydrophobicContact CG2-SD 3.48Å; T127-M242 WeakPolarHBondContact CG2-SD 3.35Å; H129-M242 HydrophobicContact CB-CE 3.45Å; H129-M242 VanDerWaalsContact CB-CE 3.45Å; H129-M242 HydrophobicContact CB-SD 4.41Å; H129-M242 WeakPolarHBondContact O-CE 3.16Å; L130-M242 HydrophobicContact CB-CE 3.93Å; L130-M242 HydrophobicContact CB-SD 3.74Å; L130-M242 HydrophobicContact CD1-CE 4.34Å; L130-M242 HydrophobicContact CD1-SD 4.36Å; L130-M242 HydrophobicContact CD2-SD 4.45Å; L130-M242 HydrophobicContact CG-SD 4.42Å; V198-M242 HydrophobicContact CB-CG 4.14Å; V198-M242 HydrophobicContact CG2-CG 3.79Å; V198-M242 CarbonylContact O-C 3.56Å; V198-M242 WeakPolarHBondContact O-CA 3.36Å; M199-M242 HydrophobicContact SD-CB 4.17Å; M199-M242 HydrophobicContact SD-CG 4.5Å; H229-M242 CarbonylContact C-O 3.52Å; H229-M242 WeakPolarHBondContact CA-O 3.42Å; H229-M242 VanDerWaalsContact CB-O 3.29Å; H229-M242 WeakPolarHBondContact CB-O 3.38Å; M230-M242 PolarHBondContact N-O 2.74Å; M230-M242 PolarHBondContact O-N 3.08Å; M242-L244 PolarHBondContact O-N 2.95Å; M242-A247 HydrophobicContact CG-CB 4.1Å; M242-A247 HydrophobicContact SD-CB 3.69Å
243	D	90	Very high	76.6	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	113.8	171.6	-173.1	-46.3	0	0	0	109.8	V198 H229 G245 Y246 A247	V198-D243 PolarHBondContact O-N 3.44Å; H229-D243 IonicContact NE2-OD2 3.46Å; D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 VanDerWaalsContact OD1-CA 3.25Å; D243-G245 WeakPolarHBondContact OD1-CA 3.44Å; D243-G245 PolarHBondContact OD1-N 3.18Å; D243-Y246 HydrophobicContact CB-CD2 4.03Å; D243-Y246 PolarHBondContact O-N 3.17Å; D243-Y246 PolarHBondContact OD1-N 2.72Å; D243-A247 VanDerWaalsContact O-CB 3.26Å; D243-A247 WeakPolarHBondContact O-CB 3.37Å; D243-A247 PolarHBondContact O-N 3.42Å
244	L	89.6	Confident	76.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72	-27.3	-179.5	-64.6	-175.3	0	0	0	112.7	L96 L130 L227 T228 M230 M242 Y246 L248	L96-L244 HydrophobicContact CD1-CD1 4.21Å; L96-L244 HydrophobicContact CD1-CD2 4.28Å; L130-L244 HydrophobicContact CD1-CD2 4.03Å; L130-L244 HydrophobicContact CD2-CD2 4.12Å; L227-L244 HydrophobicContact CB-CD1 4.3Å; L227-L244 HydrophobicContact CD2-CD1 3.47Å; L227-L244 VanDerWaalsContact CD2-CD1 3.47Å; L227-L244 HydrophobicContact CG-CD1 3.53Å; T228-L244 WeakPolarHBondContact O-CB 3.36Å; T228-L244 PolarHBondContact O-N 2.99Å; M230-L244 HydrophobicContact CG-CD1 4.07Å; M230-L244 HydrophobicContact CG-CD2 4.15Å; M230-L244 HydrophobicContact CG-CG 4.36Å; M230-L244 HydrophobicContact SD-CD1 4.09Å; M230-L244 HydrophobicContact SD-CD2 3.91Å; M242-L244 PolarHBondContact O-N 2.95Å; L244-Y246 VanDerWaalsContact C-N 3.34Å; L244-L248 HydrophobicContact CB-CD1 4.13Å; L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.3Å
245	G	86.4	Confident	76	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-46.9	173.1	0	0	0	0	0	110.2	M151 D243 H249	M151-G245 WeakPolarHBondContact O-CA 3.33Å; D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 VanDerWaalsContact OD1-CA 3.25Å; D243-G245 WeakPolarHBondContact OD1-CA 3.44Å; D243-G245 PolarHBondContact OD1-N 3.18Å; G245-H249 WeakPolarHBondContact O-CA 3.14Å; G245-H249 WeakPolarHBondContact O-CB 3.03Å; G245-H249 PolarHBondContact O-N 2.65Å
246	Y	84.9	Confident	75.9	Confident	66 Å²	66	45.2 Å²	45.2	26%	0.259	25%	0.253	S	S	.	.	H	α-helix	trans	-72.1	-43.8	174.2	-76.7	-82.6	0	0	0	113.5	R154 F197 D243 L244 L248 H249	R154-Y246 HydrophobicContact CB-CE1 4.13Å; R154-Y246 HydrophobicContact CB-CE2 4.4Å; R154-Y246 HydrophobicContact CG-CD1 3.99Å; R154-Y246 HydrophobicContact CG-CE1 3.75Å; F197-Y246 HydrophobicContact CD2-CD1 4.47Å; D243-Y246 HydrophobicContact CB-CD2 4.03Å; D243-Y246 PolarHBondContact O-N 3.17Å; D243-Y246 PolarHBondContact OD1-N 2.72Å; L244-Y246 VanDerWaalsContact C-N 3.34Å; Y246-L248 PolarHBondContact O-N 3.28Å; Y246-H249 PolarHBondContact O-N 3.11Å
247	A	86.9	Confident	76	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.9	-19.4	-177.7	0	0	0	0	0	113.9	N124 I126 T127 L130 V198 M242 D243	N124-A247 PolarHBondContact ND2-O 3.03Å; N124-A247 PolarHBondContact OD1-O 3.19Å; I126-A247 WeakPolarHBondContact CD1-O 3.49Å; T127-A247 HydrophobicContact CG2-CB 3.6Å; L130-A247 HydrophobicContact CD2-CB 4.21Å; V198-A247 HydrophobicContact CG1-CB 4.46Å; M242-A247 HydrophobicContact CG-CB 4.1Å; M242-A247 HydrophobicContact SD-CB 3.69Å; D243-A247 VanDerWaalsContact O-CB 3.26Å; D243-A247 WeakPolarHBondContact O-CB 3.37Å; D243-A247 PolarHBondContact O-N 3.42Å
248	L	84.1	Confident	75.9	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.042	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-0.6	177.1	-58.3	168.8	0	0	0	112.9	L96 L130 Y150 L244 Y246 G250 S251	L96-L248 HydrophobicContact CD1-CD1 4.02Å; L130-L248 HydrophobicContact CD2-CD2 3.8Å; L130-L248 HydrophobicContact CD2-CG 4.24Å; Y150-L248 HydrophobicContact CD1-CD1 3.61Å; Y150-L248 HydrophobicContact CD2-CB 4.16Å; Y150-L248 HydrophobicContact CD2-CD1 3.62Å; Y150-L248 HydrophobicContact CE1-CD1 3.83Å; Y150-L248 HydrophobicContact CE2-CB 3.79Å; Y150-L248 HydrophobicContact CE2-CD1 3.84Å; Y150-L248 HydrophobicContact CE2-CG 4.46Å; Y150-L248 HydrophobicContact CG-CD1 3.5Å; Y150-L248 VanDerWaalsContact CG-CD1 3.5Å; L244-L248 HydrophobicContact CB-CD1 4.13Å; L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.3Å; Y246-L248 PolarHBondContact O-N 3.28Å; L248-G250 PolarHBondContact O-N 3.44Å; L248-S251 VanDerWaalsContact C-OG 3.27Å; L248-S251 WeakPolarHBondContact CA-OG 3.42Å; L248-S251 PolarHBondContact O-N 3.31Å; L248-S251 PolarHBondContact O-OG 3.31Å
249	H	72.2	Confident	75.4	Confident	77 Å²	77	42 Å²	42	36%	0.356	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	112.6	-178.7	-169.7	74.5	0	0	0	111.3	I126 R154 G245 Y246 S251	I126-H249 WeakPolarHBondContact CD1-O 3.44Å; R154-H249 PolarHBondContact NE-CD2 3.45Å; R154-H249 PolarHBondContact NH2-CD2 3.29Å; R154-H249 VanDerWaalsContact NH2-CD2 3.33Å; G245-H249 WeakPolarHBondContact O-CA 3.14Å; G245-H249 WeakPolarHBondContact O-CB 3.03Å; G245-H249 PolarHBondContact O-N 2.65Å; Y246-H249 PolarHBondContact O-N 3.11Å; H249-S251 PolarHBondContact O-N 3.45Å
250	G	56.6	Low	74.6	Confident	59 Å²	59	45 Å²	45	61%	0.608	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	1.7	-177.8	0	0	0	0	0	113.9	L248 Y252	L248-G250 PolarHBondContact O-N 3.44Å; G250-Y252 PolarHBondContact O-N 3.18Å
251	S	51.3	Low	73.6	Confident	27 Å²	27	48.4 Å²	48.4	19%	0.189	25%	0.248	C	C	.	.			trans	-78.1	62	159.3	69.3	0	0	0	0	109.2	L248 H249 L253	L248-S251 VanDerWaalsContact C-OG 3.27Å; L248-S251 WeakPolarHBondContact CA-OG 3.42Å; L248-S251 PolarHBondContact O-N 3.31Å; L248-S251 PolarHBondContact O-OG 3.31Å; H249-S251 PolarHBondContact O-N 3.45Å; S251-L253 VanDerWaalsContact C-N 3.28Å; S251-L253 PolarHBondContact O-N 3.31Å; S251-L253 VanDerWaalsContact O-N 3.09Å
252	Y	36.3	Very low	72.2	Confident	221 Å²	221	52.4 Å²	52.4	87%	0.867	27%	0.269	S	S	*	.			trans	-69	98.4	153.5	-82.5	-83.1	0	0	0	106.3	G250	G250-Y252 PolarHBondContact O-N 3.18Å
253	L	39.4	Very low	70.7	Confident	160 Å²	160	57.2 Å²	57.2	84%	0.838	29%	0.293	S	S	*	.			trans	-60.4	0	149.3	-75.9	173.2	0	0	0	109.5	S251	S251-L253 VanDerWaalsContact C-N 3.28Å; S251-L253 PolarHBondContact O-N 3.31Å; S251-L253 VanDerWaalsContact O-N 3.09Å

Retrieved 253 of 253 residues in 504.6 ms (Link to these results)

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