G4M196_SCHMA Loading...

Transducin beta-like

AlphaFold DB , UniProt , Accession G4M196, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 689 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	50.5	Low	83.7	Confident	219 Å²	219	69.7 Å²	69.7	100%	1.079	38%	0.377	S	S	*	.				0	146.2	0	-57	174.5	-163.2	0	0	107.4
2	S	66.1	Low	84.7	Confident	71 Å²	71	68.4 Å²	68.4	50%	0.497	37%	0.369	S	S	.	.			trans	-119.4	128.1	165.2	64.7	0	0	0	0	108	K401	S2-K401 VanDerWaalsContact CB-CE 3.48Å; S2-K401 WeakPolarHBondContact OG-CE 3.28Å; S2-K401 PolarHBondContact OG-NZ 2.74Å
3	F	79.1	Confident	85.4	Confident	103 Å²	103	65.6 Å²	65.6	45%	0.452	35%	0.351	S	S	.	.			trans	-79.1	142.6	169.8	-47.7	-70.6	0	0	0	109.1	V8 L52	F3-V8 HydrophobicContact CB-CG2 3.76Å; F3-L52 HydrophobicContact CD1-CD2 4.27Å; F3-L52 HydrophobicContact CE1-CD1 3.81Å; F3-L52 HydrophobicContact CE1-CD2 3.81Å; F3-L52 HydrophobicContact CE1-CG 4.38Å; F3-L52 HydrophobicContact CZ-CD1 3.79Å; F3-L52 HydrophobicContact CZ-CD2 4.03Å; F3-L52 HydrophobicContact CZ-CG 4.3Å
4	T	85.9	Confident	86	Confident	38 Å²	38	64.5 Å²	64.5	23%	0.233	34%	0.34	C	S	.	.			trans	-85.3	158.9	167.2	56.9	0	0	0	0	110.5	D6 E7 V8	T4-D6 VanDerWaalsContact C-N 3.25Å; T4-D6 PolarHBondContact O-N 3.1Å; T4-E7 WeakPolarHBondContact CB-OE2 3.28Å; T4-E7 PolarHBondContact N-OE2 3.13Å; T4-E7 PolarHBondContact O-N 3.05Å; T4-E7 WeakPolarHBondContact OG1-CB 3.34Å; T4-E7 VanDerWaalsContact OG1-CD 3.31Å; T4-E7 VanDerWaalsContact OG1-CG 3.23Å; T4-E7 WeakPolarHBondContact OG1-CG 3.21Å; T4-E7 PolarHBondContact OG1-N 3.41Å; T4-E7 VanDerWaalsContact OG1-N 3.12Å; T4-E7 PolarHBondContact OG1-OE2 2.9Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.48Å
5	S	87.1	Confident	86.6	Confident	76 Å²	76	67.2 Å²	67.2	53%	0.531	35%	0.345	S	S	.	.	H	α-helix	trans	-55.6	-42.8	169.4	42.2	0	0	0	0	111.3	V8 N9	S5-V8 PolarHBondContact O-N 2.94Å; S5-N9 VanDerWaalsContact O-CB 3.24Å; S5-N9 WeakPolarHBondContact O-CB 3.39Å; S5-N9 PolarHBondContact O-N 2.9Å; S5-N9 PolarHBondContact O-ND2 2.83Å
6	D	88	Confident	87.2	Confident	53 Å²	53	64.9 Å²	64.9	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-51.4	-55.1	172	-101.3	45.7	0	0	0	112.8	T4 V8 N9 F10 S37 N38	T4-D6 VanDerWaalsContact C-N 3.25Å; T4-D6 PolarHBondContact O-N 3.1Å; D6-V8 PolarHBondContact O-N 3.41Å; D6-N9 PolarHBondContact O-N 2.79Å; D6-F10 VanDerWaalsContact O-CB 3.31Å; D6-F10 WeakPolarHBondContact O-CB 3.37Å; D6-F10 PolarHBondContact O-N 3.21Å; D6-S37 VanDerWaalsContact CG-OG 3.3Å; D6-S37 VanDerWaalsContact OD2-CA 3.23Å; D6-S37 WeakPolarHBondContact OD2-CA 3.49Å; D6-S37 WeakPolarHBondContact OD2-CB 3.23Å; D6-S37 PolarHBondContact OD2-OG 2.75Å; D6-N38 PolarHBondContact OD2-N 3.22Å; D6-N38 VanDerWaalsContact OD2-N 3.14Å
7	E	90.8	Very high	87.5	Confident	79 Å²	79	66.5 Å²	66.5	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-62.7	-42.9	179.8	-72.7	162.4	120.5	0	0	112.2	T4 F10 L11 V39	T4-E7 WeakPolarHBondContact CB-OE2 3.28Å; T4-E7 PolarHBondContact N-OE2 3.13Å; T4-E7 PolarHBondContact O-N 3.05Å; T4-E7 WeakPolarHBondContact OG1-CB 3.34Å; T4-E7 VanDerWaalsContact OG1-CD 3.31Å; T4-E7 VanDerWaalsContact OG1-CG 3.23Å; T4-E7 WeakPolarHBondContact OG1-CG 3.21Å; T4-E7 PolarHBondContact OG1-N 3.41Å; T4-E7 VanDerWaalsContact OG1-N 3.12Å; T4-E7 PolarHBondContact OG1-OE2 2.9Å; E7-F10 PolarHBondContact O-N 3.49Å; E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 WeakPolarHBondContact O-CG 3.17Å; E7-L11 PolarHBondContact O-N 3.46Å; E7-V39 HydrophobicContact CG-CG2 4.22Å
8	V	92.5	Very high	87.8	Confident	59 Å²	59	67 Å²	67	36%	0.358	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-46.6	179	173.1	0	0	0	0	110.8	F3 T4 S5 D6 F10 L11 I12	F3-V8 HydrophobicContact CB-CG2 3.76Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.48Å; S5-V8 PolarHBondContact O-N 2.94Å; D6-V8 PolarHBondContact O-N 3.41Å; V8-F10 PolarHBondContact O-N 2.59Å; V8-L11 PolarHBondContact O-N 3.22Å; V8-I12 HydrophobicContact CG1-CD1 3.79Å; V8-I12 VanDerWaalsContact O-CG1 3.3Å; V8-I12 WeakPolarHBondContact O-CG1 3.34Å; V8-I12 PolarHBondContact O-N 2.99Å
9	N	93.5	Very high	88.1	Confident	26 Å²	26	66.1 Å²	66.1	14%	0.139	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-44.6	176.1	-71.6	-18.8	0	0	0	110.8	S5 D6 L11 I12 F13 F28 I34	S5-N9 VanDerWaalsContact O-CB 3.24Å; S5-N9 WeakPolarHBondContact O-CB 3.39Å; S5-N9 PolarHBondContact O-N 2.9Å; S5-N9 PolarHBondContact O-ND2 2.83Å; D6-N9 PolarHBondContact O-N 2.79Å; N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 3.03Å; N9-I12 PolarHBondContact O-N 2.88Å; N9-F13 VanDerWaalsContact O-CB 3.32Å; N9-F13 WeakPolarHBondContact O-CB 3.35Å; N9-F13 PolarHBondContact O-N 3.11Å; N9-F28 HydrophobicContact CB-CE1 4.27Å; N9-F28 HydrophobicContact CB-CZ 4.26Å; N9-F28 WeakPolarHBondContact O-CE1 3.33Å; N9-I34 HydrophobicContact CB-CD1 3.88Å
10	F	93.1	Very high	88.4	Confident	18 Å²	18	65.3 Å²	65.3	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-41.6	177.9	-158.9	-83.3	0	0	0	112.1	D6 E7 V8 F13 R14 I34 V39 V44	D6-F10 VanDerWaalsContact O-CB 3.31Å; D6-F10 WeakPolarHBondContact O-CB 3.37Å; D6-F10 PolarHBondContact O-N 3.21Å; E7-F10 PolarHBondContact O-N 3.49Å; V8-F10 PolarHBondContact O-N 2.59Å; F10-F13 PolarHBondContact O-N 2.9Å; F10-R14 HydrophobicContact CD1-CG 3.69Å; F10-R14 HydrophobicContact CE1-CG 3.39Å; F10-R14 HydrophobicContact CZ-CG 4.23Å; F10-R14 WeakPolarHBondContact O-CB 3.31Å; F10-R14 VanDerWaalsContact O-CG 3.29Å; F10-R14 WeakPolarHBondContact O-CG 3.32Å; F10-R14 PolarHBondContact O-N 2.97Å; F10-I34 HydrophobicContact CD2-CD1 4.45Å; F10-I34 HydrophobicContact CD2-CG2 3.79Å; F10-I34 HydrophobicContact CE2-CG2 3.78Å; F10-V39 HydrophobicContact CB-CB 4.18Å; F10-V39 HydrophobicContact CB-CG1 4.12Å; F10-V39 HydrophobicContact CB-CG2 4.21Å; F10-V39 HydrophobicContact CD1-CB 4.39Å; F10-V39 HydrophobicContact CD1-CG1 3.66Å; F10-V39 HydrophobicContact CD2-CB 3.83Å; F10-V39 HydrophobicContact CD2-CG1 4Å; F10-V39 HydrophobicContact CE1-CG1 4.09Å; F10-V39 HydrophobicContact CE2-CB 4.38Å; F10-V39 HydrophobicContact CE2-CG1 4.41Å; F10-V39 HydrophobicContact CG-CB 3.86Å; F10-V39 HydrophobicContact CG-CG1 3.63Å; F10-V39 HydrophobicContact CG-CG2 4.43Å; F10-V39 HydrophobicContact CZ-CG1 4.47Å; F10-V44 HydrophobicContact CD1-CG2 4.03Å; F10-V44 HydrophobicContact CE1-CB 4.29Å; F10-V44 HydrophobicContact CE1-CG2 3.97Å
11	L	94.3	Very high	88.7	Confident	25 Å²	25	68.5 Å²	68.5	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-39.2	175.6	-73.4	169.9	0	0	0	112.6	E7 V8 N9 Y15 V44 S48 L49 L52	E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 WeakPolarHBondContact O-CG 3.17Å; E7-L11 PolarHBondContact O-N 3.46Å; V8-L11 PolarHBondContact O-N 3.22Å; N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 3.03Å; L11-Y15 VanDerWaalsContact O-CB 3.31Å; L11-Y15 WeakPolarHBondContact O-CB 3.29Å; L11-Y15 PolarHBondContact O-N 3.25Å; L11-V44 HydrophobicContact CD2-CG1 4.11Å; L11-S48 VanDerWaalsContact CD2-CB 3.46Å; L11-L49 HydrophobicContact CB-CB 4.23Å; L11-L49 HydrophobicContact CB-CD1 4.14Å; L11-L52 HydrophobicContact CD1-CD2 3.88Å
12	I	95.1	Very high	90.6	Very high	54 Å²	54	62.4 Å²	62.4	28%	0.277	34%	0.335	S	S	.	.	H	α-helix	trans	-67.4	-48.1	174.9	-68.8	165.5	0	0	0	110.8	V8 N9 R14 Y15 L16 F28 L49	V8-I12 HydrophobicContact CG1-CD1 3.79Å; V8-I12 VanDerWaalsContact O-CG1 3.3Å; V8-I12 WeakPolarHBondContact O-CG1 3.34Å; V8-I12 PolarHBondContact O-N 2.99Å; N9-I12 PolarHBondContact O-N 2.88Å; I12-R14 VanDerWaalsContact C-N 3.34Å; I12-R14 PolarHBondContact O-N 2.83Å; I12-Y15 PolarHBondContact O-N 2.97Å; I12-L16 HydrophobicContact CG2-CD1 4.07Å; I12-L16 HydrophobicContact CG2-CG 4.44Å; I12-L16 WeakPolarHBondContact O-CG 3.27Å; I12-L16 PolarHBondContact O-N 3.28Å; I12-F28 HydrophobicContact CB-CE1 4.03Å; I12-F28 HydrophobicContact CB-CZ 3.89Å; I12-F28 HydrophobicContact CD1-CZ 4.41Å; I12-F28 HydrophobicContact CG2-CD1 4.29Å; I12-F28 HydrophobicContact CG2-CD2 4.35Å; I12-F28 HydrophobicContact CG2-CE1 3.8Å; I12-F28 HydrophobicContact CG2-CE2 3.86Å; I12-F28 HydrophobicContact CG2-CZ 3.57Å; I12-L49 HydrophobicContact CG1-CD2 4.36Å
13	F	94.5	Very high	91.9	Very high	32 Å²	32	66.1 Å²	66.1	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-55.5	-48.2	176.2	171.2	-101.7	0	0	0	111.6	N9 F10 L16 Q17 A25 F28 I34	N9-F13 VanDerWaalsContact O-CB 3.32Å; N9-F13 WeakPolarHBondContact O-CB 3.35Å; N9-F13 PolarHBondContact O-N 3.11Å; F10-F13 PolarHBondContact O-N 2.9Å; F13-L16 PolarHBondContact O-N 2.88Å; F13-Q17 HydrophobicContact CE1-CG 4.32Å; F13-Q17 HydrophobicContact CE2-CG 4.46Å; F13-Q17 HydrophobicContact CZ-CG 4.24Å; F13-Q17 WeakPolarHBondContact O-CG 3.43Å; F13-Q17 PolarHBondContact O-N 3.19Å; F13-A25 VanDerWaalsContact CD2-O 3.26Å; F13-A25 WeakPolarHBondContact CD2-O 3.47Å; F13-A25 VanDerWaalsContact CE2-O 3.23Å; F13-A25 WeakPolarHBondContact CE2-O 3.27Å; F13-F28 HydrophobicContact CB-CD1 3.97Å; F13-F28 HydrophobicContact CB-CE1 4.08Å; F13-I34 HydrophobicContact CB-CD1 4.08Å; F13-I34 HydrophobicContact CB-CG1 3.96Å; F13-I34 HydrophobicContact CD1-CG1 4.42Å; F13-I34 HydrophobicContact CD1-CG2 3.84Å; F13-I34 HydrophobicContact CD2-CG1 4.09Å; F13-I34 HydrophobicContact CE1-CG2 3.93Å; F13-I34 HydrophobicContact CG-CD1 4.48Å; F13-I34 HydrophobicContact CG-CG1 3.91Å; F13-I34 HydrophobicContact CG-CG2 4.17Å; F13-I34 HydrophobicContact CZ-CG2 4.34Å
14	R	93.1	Very high	92.6	Very high	50 Å²	50	64 Å²	64	19%	0.189	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-43.5	175.9	-74.6	-61.3	-59	-114.9	-15.6	112.4	F10 I12 L16 Q17 E18 G41	F10-R14 HydrophobicContact CD1-CG 3.69Å; F10-R14 HydrophobicContact CE1-CG 3.39Å; F10-R14 HydrophobicContact CZ-CG 4.23Å; F10-R14 WeakPolarHBondContact O-CB 3.31Å; F10-R14 VanDerWaalsContact O-CG 3.29Å; F10-R14 WeakPolarHBondContact O-CG 3.32Å; F10-R14 PolarHBondContact O-N 2.97Å; I12-R14 VanDerWaalsContact C-N 3.34Å; I12-R14 PolarHBondContact O-N 2.83Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-L16 PolarHBondContact O-N 2.75Å; R14-Q17 PolarHBondContact O-N 2.95Å; R14-E18 IonicContact CZ-OE1 3.26Å; R14-E18 VanDerWaalsContact CZ-OE1 3.26Å; R14-E18 IonicContact NE-OE1 2.9Å; R14-E18 PolarHBondContact NE-OE1 3Å; R14-E18 IonicContact NH2-OE1 2.74Å; R14-E18 PolarHBondContact NH2-OE1 2.93Å; R14-E18 VanDerWaalsContact O-CB 3.28Å; R14-E18 WeakPolarHBondContact O-CB 3.32Å; R14-E18 WeakPolarHBondContact O-CG 3.31Å; R14-E18 PolarHBondContact O-N 3.41Å; R14-G41 PolarHBondContact NH1-O 3.08Å; R14-G41 VanDerWaalsContact NH1-O 3.13Å
15	Y	95.6	Very high	93	Very high	105 Å²	105	62.3 Å²	62.3	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-39.8	175.1	174.4	-104.6	0	0	0	112.7	L11 I12 S19 L49	L11-Y15 VanDerWaalsContact O-CB 3.31Å; L11-Y15 WeakPolarHBondContact O-CB 3.29Å; L11-Y15 PolarHBondContact O-N 3.25Å; I12-Y15 PolarHBondContact O-N 2.97Å; Y15-S19 WeakPolarHBondContact CE2-OG 3.35Å; Y15-S19 WeakPolarHBondContact O-CB 3.44Å; Y15-S19 PolarHBondContact O-N 3.47Å; Y15-S19 PolarHBondContact O-OG 3.42Å; Y15-L49 HydrophobicContact CD1-CD2 4.15Å; Y15-L49 HydrophobicContact CD2-CD2 4.46Å; Y15-L49 HydrophobicContact CG-CD2 3.82Å
16	L	96.2	Very high	93.2	Very high	31 Å²	31	66.1 Å²	66.1	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-66.6	-40	175.4	-69.1	171.6	0	0	0	112.1	I12 F13 R14 G20 Y21 A25 F28	I12-L16 HydrophobicContact CG2-CD1 4.07Å; I12-L16 HydrophobicContact CG2-CG 4.44Å; I12-L16 WeakPolarHBondContact O-CG 3.27Å; I12-L16 PolarHBondContact O-N 3.28Å; F13-L16 PolarHBondContact O-N 2.88Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-L16 PolarHBondContact O-N 2.75Å; L16-G20 PolarHBondContact O-N 3.39Å; L16-Y21 HydrophobicContact CD2-CD2 4.1Å; L16-Y21 HydrophobicContact CD2-CG 4.49Å; L16-Y21 PolarHBondContact O-N 2.92Å; L16-A25 HydrophobicContact CB-CB 3.71Å; L16-F28 HydrophobicContact CD1-CB 3.94Å; L16-F28 HydrophobicContact CD1-CD1 4.35Å; L16-F28 HydrophobicContact CD1-CG 4.02Å
17	Q	92.4	Very high	93.5	Very high	92 Å²	92	67.3 Å²	67.3	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-50.4	172.9	-71.8	-169.8	-36.6	0	0	111.8	F13 R14 S19 G20 A25	F13-Q17 HydrophobicContact CE1-CG 4.32Å; F13-Q17 HydrophobicContact CE2-CG 4.46Å; F13-Q17 HydrophobicContact CZ-CG 4.24Å; F13-Q17 WeakPolarHBondContact O-CG 3.43Å; F13-Q17 PolarHBondContact O-N 3.19Å; R14-Q17 PolarHBondContact O-N 2.95Å; Q17-S19 VanDerWaalsContact C-N 3.3Å; Q17-S19 PolarHBondContact O-N 3.33Å; Q17-G20 PolarHBondContact O-N 3.01Å; Q17-A25 HydrophobicContact CG-CB 3.76Å
18	E	92.6	Very high	93.8	Very high	75 Å²	75	65.1 Å²	65.1	35%	0.35	33%	0.331	S	S	.	.	H	α-helix	trans	-69	-27.8	-175.5	-70.6	163.8	-162.8	0	0	112.4	R14 G20 P46 G47	R14-E18 IonicContact CZ-OE1 3.26Å; R14-E18 VanDerWaalsContact CZ-OE1 3.26Å; R14-E18 IonicContact NE-OE1 2.9Å; R14-E18 PolarHBondContact NE-OE1 3Å; R14-E18 IonicContact NH2-OE1 2.74Å; R14-E18 PolarHBondContact NH2-OE1 2.93Å; R14-E18 VanDerWaalsContact O-CB 3.28Å; R14-E18 WeakPolarHBondContact O-CB 3.32Å; R14-E18 WeakPolarHBondContact O-CG 3.31Å; R14-E18 PolarHBondContact O-N 3.41Å; E18-G20 VanDerWaalsContact C-N 3.3Å; E18-P46 WeakPolarHBondContact OE2-CA 3.37Å; E18-G47 PolarHBondContact OE2-N 2.91Å
19	S	94	Very high	93.7	Very high	49 Å²	49	62.7 Å²	62.7	34%	0.343	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	0.6	172.2	-54.8	0	0	0	0	113.8	Y15 Q17 Y21	Y15-S19 WeakPolarHBondContact CE2-OG 3.35Å; Y15-S19 WeakPolarHBondContact O-CB 3.44Å; Y15-S19 PolarHBondContact O-N 3.47Å; Y15-S19 PolarHBondContact O-OG 3.42Å; Q17-S19 VanDerWaalsContact C-N 3.3Å; Q17-S19 PolarHBondContact O-N 3.33Å; S19-Y21 PolarHBondContact O-N 2.93Å
20	G	93.7	Very high	93.6	Very high	50 Å²	50	66 Å²	66	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	9.6	177.3	0	0	0	0	0	115.8	L16 Q17 E18 C22	L16-G20 PolarHBondContact O-N 3.39Å; Q17-G20 PolarHBondContact O-N 3.01Å; E18-G20 VanDerWaalsContact C-N 3.3Å; G20-C22 PolarHBondContact O-N 2.95Å
21	Y	94	Very high	93.5	Very high	133 Å²	133	70.2 Å²	70.2	52%	0.522	36%	0.355	S	S	.	.			trans	-79.4	53.3	177.2	-62.5	-64.4	0	0	0	111.8	L16 S19 H23 S24 A25	L16-Y21 HydrophobicContact CD2-CD2 4.1Å; L16-Y21 HydrophobicContact CD2-CG 4.49Å; L16-Y21 PolarHBondContact O-N 2.92Å; S19-Y21 PolarHBondContact O-N 2.93Å; Y21-H23 VanDerWaalsContact C-N 3.3Å; Y21-H23 PolarHBondContact O-N 3.04Å; Y21-H23 VanDerWaalsContact O-N 3.11Å; Y21-S24 PolarHBondContact O-N 3.47Å; Y21-A25 PolarHBondContact O-N 3.31Å
22	C	91.2	Very high	93.4	Very high	91 Å²	91	70 Å²	70	62%	0.615	36%	0.356	S	S	*	.	H	α-helix	trans	-55.5	-36.7	-165.3	-57.9	0	0	0	0	114.8	G20 Y26	G20-C22 PolarHBondContact O-N 2.95Å; C22-Y26 WeakPolarHBondContact O-CB 3.38Å; C22-Y26 PolarHBondContact O-N 3.31Å
23	H	92.1	Very high	93.2	Very high	149 Å²	149	72.7 Å²	72.7	69%	0.69	37%	0.367	S	S	*	.	H	α-helix	trans	-70.3	-43.4	176.6	-171.1	-75.7	0	0	0	112	Y21 Y26 L27	Y21-H23 VanDerWaalsContact C-N 3.3Å; Y21-H23 PolarHBondContact O-N 3.04Å; Y21-H23 VanDerWaalsContact O-N 3.11Å; H23-Y26 PolarHBondContact O-N 2.99Å; H23-L27 PolarHBondContact O-N 3.17Å
24	S	95	Very high	92.9	Very high	60 Å²	60	72 Å²	72	42%	0.42	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-40.8	175.7	-45.9	0	0	0	0	111.2	Y21 L27 F28	Y21-S24 PolarHBondContact O-N 3.47Å; S24-L27 PolarHBondContact O-N 3.07Å; S24-F28 WeakPolarHBondContact O-CB 3.14Å; S24-F28 PolarHBondContact O-N 3.47Å
25	A	93.9	Very high	92.4	Very high	2 Å²	2	75 Å²	75	2%	0.017	39%	0.394	C	S	.	.	H	α-helix	trans	-61.7	-42.3	174.1	0	0	0	0	0	111.9	F13 L16 Q17 Y21 G29	F13-A25 VanDerWaalsContact CD2-O 3.26Å; F13-A25 WeakPolarHBondContact CD2-O 3.47Å; F13-A25 VanDerWaalsContact CE2-O 3.23Å; F13-A25 WeakPolarHBondContact CE2-O 3.27Å; L16-A25 HydrophobicContact CB-CB 3.71Å; Q17-A25 HydrophobicContact CG-CB 3.76Å; Y21-A25 PolarHBondContact O-N 3.31Å; A25-G29 WeakPolarHBondContact O-CA 3.41Å; A25-G29 PolarHBondContact O-N 3.43Å
26	Y	92.4	Very high	91.9	Very high	156 Å²	156	76.5 Å²	76.5	61%	0.612	40%	0.404	S	S	*	.	H	α-helix	trans	-64.6	-48.8	176.7	178.6	-102.3	0	0	0	112.1	C22 H23 G29 L30	C22-Y26 WeakPolarHBondContact O-CB 3.38Å; C22-Y26 PolarHBondContact O-N 3.31Å; H23-Y26 PolarHBondContact O-N 2.99Å; Y26-G29 PolarHBondContact O-N 2.96Å; Y26-L30 HydrophobicContact CD1-CD1 4.28Å; Y26-L30 HydrophobicContact CE1-CD1 3.67Å; Y26-L30 HydrophobicContact CE2-CD1 4.45Å; Y26-L30 PolarHBondContact O-N 3.34Å; Y26-L30 VanDerWaalsContact O-N 3.15Å
27	L	94.2	Very high	91.2	Very high	78 Å²	78	76.2 Å²	76.2	41%	0.408	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-51	178.8	-177.9	62.5	0	0	0	111.4	H23 S24 G29 L30 E31	H23-L27 PolarHBondContact O-N 3.17Å; S24-L27 PolarHBondContact O-N 3.07Å; L27-G29 VanDerWaalsContact C-N 3.26Å; L27-G29 PolarHBondContact O-N 2.57Å; L27-L30 WeakPolarHBondContact O-CB 3.23Å; L27-L30 PolarHBondContact O-N 3.09Å; L27-E31 HydrophobicContact CD1-CG 4.3Å; L27-E31 WeakPolarHBondContact CD1-OE1 3.36Å; L27-E31 HydrophobicContact CG-CG 4.43Å; L27-E31 WeakPolarHBondContact CG-OE1 3.48Å; L27-E31 WeakPolarHBondContact O-CG 3.11Å; L27-E31 PolarHBondContact O-N 3.25Å
28	F	95.4	Very high	90.8	Very high	32 Å²	32	79.3 Å²	79.3	14%	0.14	42%	0.424	C	S	.	.	H	α-helix	trans	-58	-39	175.9	-177.5	-87.6	0	0	0	111.7	N9 I12 F13 L16 S24 L30 E31 S32	N9-F28 HydrophobicContact CB-CE1 4.27Å; N9-F28 HydrophobicContact CB-CZ 4.26Å; N9-F28 WeakPolarHBondContact O-CE1 3.33Å; I12-F28 HydrophobicContact CB-CE1 4.03Å; I12-F28 HydrophobicContact CB-CZ 3.89Å; I12-F28 HydrophobicContact CD1-CZ 4.41Å; I12-F28 HydrophobicContact CG2-CD1 4.29Å; I12-F28 HydrophobicContact CG2-CD2 4.35Å; I12-F28 HydrophobicContact CG2-CE1 3.8Å; I12-F28 HydrophobicContact CG2-CE2 3.86Å; I12-F28 HydrophobicContact CG2-CZ 3.57Å; F13-F28 HydrophobicContact CB-CD1 3.97Å; F13-F28 HydrophobicContact CB-CE1 4.08Å; L16-F28 HydrophobicContact CD1-CB 3.94Å; L16-F28 HydrophobicContact CD1-CD1 4.35Å; L16-F28 HydrophobicContact CD1-CG 4.02Å; S24-F28 WeakPolarHBondContact O-CB 3.14Å; S24-F28 PolarHBondContact O-N 3.47Å; F28-L30 VanDerWaalsContact C-N 3.27Å; F28-L30 PolarHBondContact O-N 3.19Å; F28-E31 PolarHBondContact O-N 2.83Å; F28-S32 WeakPolarHBondContact CD1-OG 3.46Å; F28-S32 WeakPolarHBondContact CE1-OG 3.33Å; F28-S32 WeakPolarHBondContact O-CB 3.34Å; F28-S32 PolarHBondContact O-N 3.39Å; F28-S32 PolarHBondContact O-OG 3.03Å
29	G	91.9	Very high	90.5	Very high	9 Å²	9	77.5 Å²	77.5	9%	0.093	42%	0.418	C	S	.	.	H	α-helix	trans	-65.2	-26.5	177.5	0	0	0	0	0	114.4	A25 Y26 L27 Q33 I34	A25-G29 WeakPolarHBondContact O-CA 3.41Å; A25-G29 PolarHBondContact O-N 3.43Å; Y26-G29 PolarHBondContact O-N 2.96Å; L27-G29 VanDerWaalsContact C-N 3.26Å; L27-G29 PolarHBondContact O-N 2.57Å; G29-Q33 PolarHBondContact O-N 3.09Å; G29-I34 PolarHBondContact O-N 3.3Å
30	L	91	Very high	90	Very high	95 Å²	95	79.5 Å²	79.5	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-80.8	-49.6	170.2	-67.4	174.8	0	0	0	111.4	Y26 L27 F28 S32 Q33	Y26-L30 HydrophobicContact CD1-CD1 4.28Å; Y26-L30 HydrophobicContact CE1-CD1 3.67Å; Y26-L30 HydrophobicContact CE2-CD1 4.45Å; Y26-L30 PolarHBondContact O-N 3.34Å; Y26-L30 VanDerWaalsContact O-N 3.15Å; L27-L30 WeakPolarHBondContact O-CB 3.23Å; L27-L30 PolarHBondContact O-N 3.09Å; F28-L30 VanDerWaalsContact C-N 3.27Å; F28-L30 PolarHBondContact O-N 3.19Å; L30-S32 PolarHBondContact O-N 2.88Å; L30-Q33 PolarHBondContact O-N 2.9Å
31	E	91.5	Very high	89.4	Confident	107 Å²	107	78.1 Å²	78.1	50%	0.5	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-42.3	-177	-70.5	178.4	-180	0	0	112.3	L27 F28 Q33	L27-E31 HydrophobicContact CD1-CG 4.3Å; L27-E31 WeakPolarHBondContact CD1-OE1 3.36Å; L27-E31 HydrophobicContact CG-CG 4.43Å; L27-E31 WeakPolarHBondContact CG-OE1 3.48Å; L27-E31 WeakPolarHBondContact O-CG 3.11Å; L27-E31 PolarHBondContact O-N 3.25Å; F28-E31 PolarHBondContact O-N 2.83Å; E31-Q33 VanDerWaalsContact C-N 3.31Å
32	S	91	Very high	89	Confident	20 Å²	20	76 Å²	76	14%	0.14	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	9	174.4	65.4	0	0	0	0	114.1	F28 L30 I34	F28-S32 WeakPolarHBondContact CD1-OG 3.46Å; F28-S32 WeakPolarHBondContact CE1-OG 3.33Å; F28-S32 WeakPolarHBondContact O-CB 3.34Å; F28-S32 PolarHBondContact O-N 3.39Å; F28-S32 PolarHBondContact O-OG 3.03Å; L30-S32 PolarHBondContact O-N 2.88Å; S32-I34 VanDerWaalsContact C-N 3.28Å; S32-I34 PolarHBondContact O-N 3.43Å; S32-I34 VanDerWaalsContact O-N 3.16Å; S32-I34 WeakPolarHBondContact OG-CG1 3.43Å
33	Q	90.7	Very high	88.7	Confident	111 Å²	111	78.3 Å²	78.3	52%	0.519	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	37	172.9	-57.8	-175.3	64.6	0	0	115	G29 L30 E31 S35 Q36	G29-Q33 PolarHBondContact O-N 3.09Å; L30-Q33 PolarHBondContact O-N 2.9Å; E31-Q33 VanDerWaalsContact C-N 3.31Å; Q33-S35 PolarHBondContact O-N 2.94Å; Q33-Q36 PolarHBondContact O-N 3.06Å
34	I	88.7	Confident	88.5	Confident	18 Å²	18	72.3 Å²	72.3	9%	0.092	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-53	-30.1	-174.9	-63.7	-62.1	0	0	0	113.4	N9 F10 F13 G29 S32 Q36 S37	N9-I34 HydrophobicContact CB-CD1 3.88Å; F10-I34 HydrophobicContact CD2-CD1 4.45Å; F10-I34 HydrophobicContact CD2-CG2 3.79Å; F10-I34 HydrophobicContact CE2-CG2 3.78Å; F13-I34 HydrophobicContact CB-CD1 4.08Å; F13-I34 HydrophobicContact CB-CG1 3.96Å; F13-I34 HydrophobicContact CD1-CG1 4.42Å; F13-I34 HydrophobicContact CD1-CG2 3.84Å; F13-I34 HydrophobicContact CD2-CG1 4.09Å; F13-I34 HydrophobicContact CE1-CG2 3.93Å; F13-I34 HydrophobicContact CG-CD1 4.48Å; F13-I34 HydrophobicContact CG-CG1 3.91Å; F13-I34 HydrophobicContact CG-CG2 4.17Å; F13-I34 HydrophobicContact CZ-CG2 4.34Å; G29-I34 PolarHBondContact O-N 3.3Å; S32-I34 VanDerWaalsContact C-N 3.28Å; S32-I34 PolarHBondContact O-N 3.43Å; S32-I34 VanDerWaalsContact O-N 3.16Å; S32-I34 WeakPolarHBondContact OG-CG1 3.43Å; I34-Q36 PolarHBondContact O-N 2.78Å; I34-Q36 VanDerWaalsContact O-N 3.16Å; I34-S37 WeakPolarHBondContact O-CB 3.35Å; I34-S37 PolarHBondContact O-N 3.27Å; I34-S37 VanDerWaalsContact O-N 3.1Å
35	S	83.4	Confident	88.2	Confident	113 Å²	113	73.2 Å²	73.2	79%	0.79	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-66	-9.1	175.2	55.9	0	0	0	0	115.2	Q33	Q33-S35 PolarHBondContact O-N 2.94Å
36	Q	83.7	Confident	88.1	Confident	136 Å²	136	78.2 Å²	78.2	64%	0.636	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-111.8	-2.8	174.1	-67.2	177.6	87.4	0	0	112.6	Q33 I34	Q33-Q36 PolarHBondContact O-N 3.06Å; I34-Q36 PolarHBondContact O-N 2.78Å; I34-Q36 VanDerWaalsContact O-N 3.16Å
37	S	83.1	Confident	88	Confident	24 Å²	24	72.2 Å²	72.2	17%	0.168	42%	0.423	C	S	.	.			trans	-68.2	146.2	179.8	-178.2	0	0	0	0	111.7	D6 I34 V39	D6-S37 VanDerWaalsContact CG-OG 3.3Å; D6-S37 VanDerWaalsContact OD2-CA 3.23Å; D6-S37 WeakPolarHBondContact OD2-CA 3.49Å; D6-S37 WeakPolarHBondContact OD2-CB 3.23Å; D6-S37 PolarHBondContact OD2-OG 2.75Å; I34-S37 WeakPolarHBondContact O-CB 3.35Å; I34-S37 PolarHBondContact O-N 3.27Å; I34-S37 VanDerWaalsContact O-N 3.1Å; S37-V39 PolarHBondContact O-N 3.5Å; S37-V39 PolarHBondContact OG-N 2.77Å
38	N	83.9	Confident	87.9	Confident	158 Å²	158	69.9 Å²	69.9	85%	0.845	41%	0.413	S	S	*	.			trans	-80.6	1.9	178.3	-64.8	-80.1	0	0	0	113.5	D6	D6-N38 PolarHBondContact OD2-N 3.22Å; D6-N38 VanDerWaalsContact OD2-N 3.14Å
39	V	84.9	Confident	87.8	Confident	37 Å²	37	70 Å²	70	22%	0.224	42%	0.415	C	S	.	.			trans	-80.7	116.5	-177.9	179.6	0	0	0	0	111.2	E7 F10 S37 G41 V44	E7-V39 HydrophobicContact CG-CG2 4.22Å; F10-V39 HydrophobicContact CB-CB 4.18Å; F10-V39 HydrophobicContact CB-CG1 4.12Å; F10-V39 HydrophobicContact CB-CG2 4.21Å; F10-V39 HydrophobicContact CD1-CB 4.39Å; F10-V39 HydrophobicContact CD1-CG1 3.66Å; F10-V39 HydrophobicContact CD2-CB 3.83Å; F10-V39 HydrophobicContact CD2-CG1 4Å; F10-V39 HydrophobicContact CE1-CG1 4.09Å; F10-V39 HydrophobicContact CE2-CB 4.38Å; F10-V39 HydrophobicContact CE2-CG1 4.41Å; F10-V39 HydrophobicContact CG-CB 3.86Å; F10-V39 HydrophobicContact CG-CG1 3.63Å; F10-V39 HydrophobicContact CG-CG2 4.43Å; F10-V39 HydrophobicContact CZ-CG1 4.47Å; S37-V39 PolarHBondContact O-N 3.5Å; S37-V39 PolarHBondContact OG-N 2.77Å; V39-G41 PolarHBondContact O-N 2.82Å; V39-G41 VanDerWaalsContact O-N 3.08Å; V39-V44 HydrophobicContact CG1-CG2 3.83Å
40	D	84.2	Confident	87.8	Confident	91 Å²	91	73.8 Å²	73.8	49%	0.487	43%	0.433	S	S	.	.			trans	-70.2	104.1	169.8	-177.3	-1.9	0	0	0	110.7	A42 L43	D40-A42 PolarHBondContact O-N 3.15Å; D40-A42 VanDerWaalsContact O-N 3.1Å; D40-A42 VanDerWaalsContact OD1-CB 3.28Å; D40-A42 WeakPolarHBondContact OD1-CB 3.26Å; D40-A42 PolarHBondContact OD1-N 3.46Å; D40-L43 HydrophobicContact CB-CD1 4.06Å; D40-L43 HydrophobicContact CB-CG 4.08Å; D40-L43 WeakPolarHBondContact O-CB 3.11Å; D40-L43 PolarHBondContact O-N 3.33Å
41	G	81.8	Confident	87.8	Confident	21 Å²	21	71.5 Å²	71.5	22%	0.216	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.7	178	0	0	0	0	0	116.2	R14 V39	R14-G41 PolarHBondContact NH1-O 3.08Å; R14-G41 VanDerWaalsContact NH1-O 3.13Å; V39-G41 PolarHBondContact O-N 2.82Å; V39-G41 VanDerWaalsContact O-N 3.08Å
42	A	85.2	Confident	87.7	Confident	89 Å²	89	69 Å²	69	74%	0.736	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.1	169.9	0	0	0	0	0	112.5	D40	D40-A42 PolarHBondContact O-N 3.15Å; D40-A42 VanDerWaalsContact O-N 3.1Å; D40-A42 VanDerWaalsContact OD1-CB 3.28Å; D40-A42 WeakPolarHBondContact OD1-CB 3.26Å; D40-A42 PolarHBondContact OD1-N 3.46Å
43	L	85.6	Confident	87.6	Confident	139 Å²	139	71.1 Å²	71.1	73%	0.728	42%	0.423	S	S	*	.	S	Bend	trans	-89.9	-0.9	177.8	-59.3	-178.7	0	0	0	113.6	D40 P45	D40-L43 HydrophobicContact CB-CD1 4.06Å; D40-L43 HydrophobicContact CB-CG 4.08Å; D40-L43 WeakPolarHBondContact O-CB 3.11Å; D40-L43 PolarHBondContact O-N 3.33Å; L43-P45 WeakPolarHBondContact O-CD 3.37Å
44	V	87.5	Confident	87.5	Confident	22 Å²	22	70.5 Å²	70.5	13%	0.133	42%	0.42	C	S	.	.	S	Bend	trans	-103.2	104.5	179.7	-176.8	0	0	0	0	110.2	F10 L11 V39	F10-V44 HydrophobicContact CD1-CG2 4.03Å; F10-V44 HydrophobicContact CE1-CB 4.29Å; F10-V44 HydrophobicContact CE1-CG2 3.97Å; L11-V44 HydrophobicContact CD2-CG1 4.11Å; V39-V44 HydrophobicContact CG1-CG2 3.83Å
45	P	89.1	Confident	87.4	Confident	80 Å²	80	75 Å²	75	52%	0.519	44%	0.439	S	S	.	.			trans	-61.1	150.1	176.7	-25.7	35	0	0	0	113.4	L43 G47 S48	L43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-G47 PolarHBondContact O-N 2.98Å; P45-S48 WeakPolarHBondContact CD-OG 3.31Å; P45-S48 WeakPolarHBondContact O-CB 3.32Å; P45-S48 PolarHBondContact O-N 3.16Å; P45-S48 PolarHBondContact O-OG 3.1Å
46	P	90.1	Very high	87.6	Confident	106 Å²	106	71.3 Å²	71.3	69%	0.688	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	139.4	169.5	-24.4	34.7	0	0	0	112.4	E18 S48	E18-P46 WeakPolarHBondContact OE2-CA 3.37Å; P46-S48 VanDerWaalsContact C-N 3.29Å; P46-S48 PolarHBondContact O-N 3.48Å
47	G	91.6	Very high	87.7	Confident	31 Å²	31	66.1 Å²	66.1	32%	0.32	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	9.2	-177.5	0	0	0	0	0	115.2	E18 P45 L49 L50 S51	E18-G47 PolarHBondContact OE2-N 2.91Å; P45-G47 PolarHBondContact O-N 2.98Å; G47-L49 VanDerWaalsContact C-N 3.29Å; G47-L49 PolarHBondContact O-N 3.36Å; G47-L50 PolarHBondContact O-N 2.96Å; G47-S51 PolarHBondContact O-N 3.34Å
48	S	92.6	Very high	87.8	Confident	28 Å²	28	70.6 Å²	70.6	20%	0.196	41%	0.414	C	S	.	.	H	α-helix	trans	-50.5	-43	-179.7	-73.8	0	0	0	0	114	L11 P45 P46 L50 S51 L52	L11-S48 VanDerWaalsContact CD2-CB 3.46Å; P45-S48 WeakPolarHBondContact CD-OG 3.31Å; P45-S48 WeakPolarHBondContact O-CB 3.32Å; P45-S48 PolarHBondContact O-N 3.16Å; P45-S48 PolarHBondContact O-OG 3.1Å; P46-S48 VanDerWaalsContact C-N 3.29Å; P46-S48 PolarHBondContact O-N 3.48Å; S48-L50 PolarHBondContact O-N 2.86Å; S48-S51 PolarHBondContact O-N 2.86Å; S48-L52 WeakPolarHBondContact O-CB 3.33Å; S48-L52 PolarHBondContact O-N 3.3Å
49	L	92.7	Very high	87.8	Confident	35 Å²	35	71.6 Å²	71.6	18%	0.183	41%	0.407	C	S	.	.	H	α-helix	trans	-61.4	-43.7	177.8	-178.7	60.1	0	0	0	111.9	L11 I12 Y15 G47 L52 I53	L11-L49 HydrophobicContact CB-CB 4.23Å; L11-L49 HydrophobicContact CB-CD1 4.14Å; I12-L49 HydrophobicContact CG1-CD2 4.36Å; Y15-L49 HydrophobicContact CD1-CD2 4.15Å; Y15-L49 HydrophobicContact CD2-CD2 4.46Å; Y15-L49 HydrophobicContact CG-CD2 3.82Å; G47-L49 VanDerWaalsContact C-N 3.29Å; G47-L49 PolarHBondContact O-N 3.36Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-I53 HydrophobicContact CD1-CD1 4.15Å; L49-I53 HydrophobicContact CG-CD1 4.01Å; L49-I53 VanDerWaalsContact O-CG1 3.32Å; L49-I53 WeakPolarHBondContact O-CG1 3.36Å; L49-I53 PolarHBondContact O-N 3.43Å
50	L	91.3	Very high	87.7	Confident	89 Å²	89	71.7 Å²	71.7	47%	0.466	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-40	178.6	-177.4	61.8	0	0	0	111.4	G47 S48 L52 I53 Q54	G47-L50 PolarHBondContact O-N 2.96Å; S48-L50 PolarHBondContact O-N 2.86Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 2.64Å; L50-I53 PolarHBondContact O-N 3.31Å; L50-Q54 WeakPolarHBondContact O-CB 3.2Å; L50-Q54 VanDerWaalsContact O-CG 3.27Å; L50-Q54 WeakPolarHBondContact O-CG 3.37Å; L50-Q54 PolarHBondContact O-N 3.47Å
51	S	90.4	Very high	87.6	Confident	46 Å²	46	69.8 Å²	69.8	32%	0.322	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-36.8	174.6	-172.6	0	0	0	0	112.1	G47 S48 K55	G47-S51 PolarHBondContact O-N 3.34Å; S48-S51 PolarHBondContact O-N 2.86Å; S51-K55 VanDerWaalsContact O-CG 3.31Å; S51-K55 WeakPolarHBondContact O-CG 3.23Å; S51-K55 PolarHBondContact O-N 2.82Å
52	L	90	Very high	87.6	Confident	56 Å²	56	70.8 Å²	70.8	29%	0.293	40%	0.402	S	S	.	.	H	α-helix	trans	-66.2	-45.8	176.1	-171.6	64.3	0	0	0	111.5	F3 L11 S48 L49 L50 K55 G56	F3-L52 HydrophobicContact CD1-CD2 4.27Å; F3-L52 HydrophobicContact CE1-CD1 3.81Å; F3-L52 HydrophobicContact CE1-CD2 3.81Å; F3-L52 HydrophobicContact CE1-CG 4.38Å; F3-L52 HydrophobicContact CZ-CD1 3.79Å; F3-L52 HydrophobicContact CZ-CD2 4.03Å; F3-L52 HydrophobicContact CZ-CG 4.3Å; L11-L52 HydrophobicContact CD1-CD2 3.88Å; S48-L52 WeakPolarHBondContact O-CB 3.33Å; S48-L52 PolarHBondContact O-N 3.3Å; L49-L52 PolarHBondContact O-N 3.42Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 2.64Å; L52-K55 PolarHBondContact O-N 3.25Å; L52-G56 PolarHBondContact O-N 2.94Å
53	I	89.9	Confident	87.4	Confident	63 Å²	63	72.1 Å²	72.1	32%	0.323	39%	0.393	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.7	-69.9	166.2	0	0	0	111.2	L49 L50 K55 G56 L57 L80	L49-I53 HydrophobicContact CD1-CD1 4.15Å; L49-I53 HydrophobicContact CG-CD1 4.01Å; L49-I53 VanDerWaalsContact O-CG1 3.32Å; L49-I53 WeakPolarHBondContact O-CG1 3.36Å; L49-I53 PolarHBondContact O-N 3.43Å; L50-I53 PolarHBondContact O-N 3.31Å; I53-K55 PolarHBondContact O-N 2.93Å; I53-G56 PolarHBondContact O-N 3.49Å; I53-G56 VanDerWaalsContact O-N 3.17Å; I53-L57 PolarHBondContact O-N 2.85Å; I53-L80 HydrophobicContact CG2-CD1 3.48Å; I53-L80 VanDerWaalsContact CG2-CD1 3.48Å; I53-L80 HydrophobicContact CG2-CD2 4.27Å
54	Q	87.5	Confident	86.9	Confident	98 Å²	98	65.8 Å²	65.8	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-41.4	176.6	-75.6	171.1	-16.7	0	0	112.6	L50 G56 L57 Q58	L50-Q54 WeakPolarHBondContact O-CB 3.2Å; L50-Q54 VanDerWaalsContact O-CG 3.27Å; L50-Q54 WeakPolarHBondContact O-CG 3.37Å; L50-Q54 PolarHBondContact O-N 3.47Å; Q54-G56 VanDerWaalsContact C-N 3.34Å; Q54-L57 PolarHBondContact O-N 2.96Å; Q54-Q58 WeakPolarHBondContact O-CG 3.35Å; Q54-Q58 PolarHBondContact O-N 3.42Å; Q54-Q58 VanDerWaalsContact O-N 3.07Å
55	K	88	Confident	86.6	Confident	114 Å²	114	65.8 Å²	65.8	50%	0.496	36%	0.361	S	S	.	.	H	α-helix	trans	-65	-38.5	173.5	-72.5	167.4	-176.8	171.1	0	111.8	S51 L52 I53 Q58 Y59	S51-K55 VanDerWaalsContact O-CG 3.31Å; S51-K55 WeakPolarHBondContact O-CG 3.23Å; S51-K55 PolarHBondContact O-N 2.82Å; L52-K55 PolarHBondContact O-N 3.25Å; I53-K55 PolarHBondContact O-N 2.93Å; K55-Q58 PolarHBondContact O-N 3.19Å; K55-Y59 WeakPolarHBondContact O-CD2 3.3Å; K55-Y59 PolarHBondContact O-N 3.05Å
56	G	86.9	Confident	86.2	Confident	35 Å²	35	67.1 Å²	67.1	36%	0.361	36%	0.362	S	S	.	.	H	α-helix	trans	-56.9	-51.5	173.6	0	0	0	0	0	112	L52 I53 Q54 Q58 Y59 T60	L52-G56 PolarHBondContact O-N 2.94Å; I53-G56 PolarHBondContact O-N 3.49Å; I53-G56 VanDerWaalsContact O-N 3.17Å; Q54-G56 VanDerWaalsContact C-N 3.34Å; G56-Q58 PolarHBondContact O-N 3.2Å; G56-Y59 PolarHBondContact O-N 3.41Å; G56-T60 PolarHBondContact O-N 3.23Å; G56-T60 PolarHBondContact O-OG1 3.34Å
57	L	85.9	Confident	85.4	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-55.4	-48	175.1	-69.7	171.4	0	0	0	111.9	I53 Q54 Y59 T60 E61 L78 L80 A83	I53-L57 PolarHBondContact O-N 2.85Å; Q54-L57 PolarHBondContact O-N 2.96Å; L57-Y59 VanDerWaalsContact C-N 3.33Å; L57-Y59 PolarHBondContact O-N 3.34Å; L57-T60 PolarHBondContact O-N 3.42Å; L57-T60 VanDerWaalsContact O-N 3.09Å; L57-E61 WeakPolarHBondContact O-CG 3.46Å; L57-E61 PolarHBondContact O-N 3.29Å; L57-L78 HydrophobicContact CD2-CB 4.23Å; L57-L80 HydrophobicContact CD1-CB 4.42Å; L57-L80 HydrophobicContact CD1-CD1 4.3Å; L57-A83 HydrophobicContact CD2-CB 3.42Å; L57-A83 VanDerWaalsContact CD2-CB 3.42Å
58	Q	84.4	Confident	84.5	Confident	118 Å²	118	68.7 Å²	68.7	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-61.9	-36.5	179	-72.4	170.9	-9	0	0	113.2	Q54 K55 G56 A62	Q54-Q58 WeakPolarHBondContact O-CG 3.35Å; Q54-Q58 PolarHBondContact O-N 3.42Å; Q54-Q58 VanDerWaalsContact O-N 3.07Å; K55-Q58 PolarHBondContact O-N 3.19Å; G56-Q58 PolarHBondContact O-N 3.2Å; Q58-A62 WeakPolarHBondContact O-CB 3.37Å; Q58-A62 PolarHBondContact O-N 3.07Å
59	Y	84.7	Confident	83.7	Confident	179 Å²	179	73 Å²	73	70%	0.702	38%	0.375	S	S	*	.	H	α-helix	trans	-66.5	-39.2	172.6	-93.2	-73	0	0	0	112.1	K55 G56 L57 A62 E63	K55-Y59 WeakPolarHBondContact O-CD2 3.3Å; K55-Y59 PolarHBondContact O-N 3.05Å; G56-Y59 PolarHBondContact O-N 3.41Å; L57-Y59 VanDerWaalsContact C-N 3.33Å; L57-Y59 PolarHBondContact O-N 3.34Å; Y59-A62 PolarHBondContact O-N 3.33Å; Y59-E63 PolarHBondContact O-N 3.48Å
60	T	81.8	Confident	83	Confident	39 Å²	39	74.1 Å²	74.1	24%	0.239	40%	0.395	C	S	.	.	H	α-helix	trans	-69.7	-37.9	175.5	-50.3	0	0	0	0	112.2	G56 L57 A62 E63 I64 L78 I89	G56-T60 PolarHBondContact O-N 3.23Å; G56-T60 PolarHBondContact O-OG1 3.34Å; L57-T60 PolarHBondContact O-N 3.42Å; L57-T60 VanDerWaalsContact O-N 3.09Å; T60-A62 VanDerWaalsContact C-N 3.34Å; T60-A62 PolarHBondContact O-N 3.49Å; T60-E63 PolarHBondContact O-N 2.87Å; T60-I64 HydrophobicContact CG2-CD1 4.07Å; T60-I64 VanDerWaalsContact O-CG1 3.28Å; T60-I64 WeakPolarHBondContact O-CG1 3.49Å; T60-I64 PolarHBondContact O-N 3.07Å; T60-I64 VanDerWaalsContact O-N 3.07Å; T60-L78 HydrophobicContact CG2-CD1 3.62Å; T60-I89 HydrophobicContact CG2-CD1 3.95Å
61	E	82	Confident	82.3	Confident	50 Å²	50	71.8 Å²	71.8	23%	0.234	39%	0.386	C	S	.	.	H	α-helix	trans	-58.2	-46.3	171.3	-72.2	173.7	160.6	0	0	111.1	L57 I64 S65 S77 L78	L57-E61 WeakPolarHBondContact O-CG 3.46Å; L57-E61 PolarHBondContact O-N 3.29Å; E61-I64 PolarHBondContact O-N 3.36Å; E61-S65 PolarHBondContact O-N 2.94Å; E61-S77 WeakPolarHBondContact OE1-CA 3.48Å; E61-S77 WeakPolarHBondContact OE1-CB 3.23Å; E61-L78 HydrophobicContact CG-CB 4.06Å; E61-L78 HydrophobicContact CG-CD1 3.99Å; E61-L78 HydrophobicContact CG-CG 3.97Å; E61-L78 PolarHBondContact OE1-N 3.25Å
62	A	82.8	Confident	81.6	Confident	43 Å²	43	78.1 Å²	78.1	36%	0.355	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-35.4	177.4	0	0	0	0	0	113.4	Q58 Y59 T60 I64 S65 I66	Q58-A62 WeakPolarHBondContact O-CB 3.37Å; Q58-A62 PolarHBondContact O-N 3.07Å; Y59-A62 PolarHBondContact O-N 3.33Å; T60-A62 VanDerWaalsContact C-N 3.34Å; T60-A62 PolarHBondContact O-N 3.49Å; A62-I64 VanDerWaalsContact C-N 3.33Å; A62-S65 WeakPolarHBondContact CA-OG 3.44Å; A62-S65 PolarHBondContact O-N 3.18Å; A62-S65 PolarHBondContact O-OG 3.25Å; A62-S65 VanDerWaalsContact O-OG 3.06Å; A62-I66 WeakPolarHBondContact O-CG1 3.23Å; A62-I66 PolarHBondContact O-N 2.59Å
63	E	79.8	Confident	80.8	Confident	116 Å²	116	78.2 Å²	78.2	54%	0.542	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-33.1	174.3	-161.8	-146.3	108.6	0	0	112.1	Y59 T60 K93	Y59-E63 PolarHBondContact O-N 3.48Å; T60-E63 PolarHBondContact O-N 2.87Å; E63-K93 IonicContact OE1-NZ 3.66Å; E63-K93 PolarHBondContact OE1-NZ 2.78Å
64	I	76.7	Confident	80	Confident	7 Å²	7	82.2 Å²	82.2	4%	0.036	43%	0.434	C	S	.	.	H	α-helix	trans	-80.1	-28.2	177.9	-62.1	167.9	0	0	0	111.5	T60 E61 A62 V75 L78 I89 L96	T60-I64 HydrophobicContact CG2-CD1 4.07Å; T60-I64 VanDerWaalsContact O-CG1 3.28Å; T60-I64 WeakPolarHBondContact O-CG1 3.49Å; T60-I64 PolarHBondContact O-N 3.07Å; T60-I64 VanDerWaalsContact O-N 3.07Å; E61-I64 PolarHBondContact O-N 3.36Å; A62-I64 VanDerWaalsContact C-N 3.33Å; I64-V75 HydrophobicContact CB-CG2 4.43Å; I64-V75 HydrophobicContact CG2-CG1 4.06Å; I64-V75 HydrophobicContact CG2-CG2 3.89Å; I64-L78 HydrophobicContact CD1-CD1 4.08Å; I64-I89 HydrophobicContact CD1-CG1 4.33Å; I64-I89 HydrophobicContact CD1-CG2 4.05Å; I64-I89 HydrophobicContact CG1-CG2 4.33Å; I64-L96 HydrophobicContact CG2-CD1 4.26Å
65	S	80.3	Confident	79.2	Confident	21 Å²	21	79.2 Å²	79.2	15%	0.147	42%	0.423	C	S	.	.	H	α-helix	trans	-74.6	-24.6	177.5	70.7	0	0	0	0	113.3	E61 A62 G67 E72 R73	E61-S65 PolarHBondContact O-N 2.94Å; A62-S65 WeakPolarHBondContact CA-OG 3.44Å; A62-S65 PolarHBondContact O-N 3.18Å; A62-S65 PolarHBondContact O-OG 3.25Å; A62-S65 VanDerWaalsContact O-OG 3.06Å; S65-G67 PolarHBondContact O-N 3.16Å; S65-E72 CarbonylContact O-C 3.58Å; S65-R73 VanDerWaalsContact CB-O 3.23Å; S65-R73 WeakPolarHBondContact CB-O 3.38Å; S65-R73 WeakPolarHBondContact O-CB 3.28Å; S65-R73 PolarHBondContact O-N 2.82Å
66	I	81.2	Confident	78.4	Confident	109 Å²	109	80.7 Å²	80.7	56%	0.559	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-82.6	115.1	177.2	-63.3	166.4	0	0	0	110.1	A62	A62-I66 WeakPolarHBondContact O-CG1 3.23Å; A62-I66 PolarHBondContact O-N 2.59Å
67	G	72.4	Confident	77.8	Confident	8 Å²	8	83.5 Å²	83.5	8%	0.082	45%	0.445	C	S	.	.			trans	-68.3	162.7	172.8	0	0	0	0	0	113.7	S65 D69 G70 S71	S65-G67 PolarHBondContact O-N 3.16Å; G67-D69 PolarHBondContact O-N 3.07Å; G67-D69 VanDerWaalsContact O-N 3.07Å; G67-G70 PolarHBondContact O-N 3.24Å; G67-S71 PolarHBondContact N-O 3.26Å
68	E	74.4	Confident	77.4	Confident	161 Å²	161	82.6 Å²	82.6	75%	0.752	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.2	176	-63.4	176.1	148.3	0	0	113.3	K97	E68-K97 VanDerWaalsContact CD-NZ 3.27Å; E68-K97 VanDerWaalsContact OE1-CE 3.31Å; E68-K97 WeakPolarHBondContact OE1-CE 3.28Å; E68-K97 IonicContact OE1-NZ 2.73Å; E68-K97 PolarHBondContact OE1-NZ 3.02Å; E68-K97 VanDerWaalsContact OE2-CE 3.28Å; E68-K97 WeakPolarHBondContact OE2-CE 3.31Å; E68-K97 IonicContact OE2-NZ 2.77Å; E68-K97 PolarHBondContact OE2-NZ 3.44Å; E68-K97 VanDerWaalsContact OE2-NZ 3.15Å
69	D	75.8	Confident	77.2	Confident	120 Å²	120	79.3 Å²	79.3	64%	0.642	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	0.8	174.5	60.8	-22	0	0	0	113.8	G67 S71 R73	G67-D69 PolarHBondContact O-N 3.07Å; G67-D69 VanDerWaalsContact O-N 3.07Å; D69-S71 VanDerWaalsContact C-N 3.31Å; D69-S71 VanDerWaalsContact CG-OG 3.24Å; D69-S71 WeakPolarHBondContact OD1-CB 3.32Å; D69-S71 PolarHBondContact OD1-N 3.4Å; D69-S71 VanDerWaalsContact OD1-N 3.16Å; D69-S71 PolarHBondContact OD1-OG 2.85Å; D69-S71 WeakPolarHBondContact OD2-CB 3.45Å; D69-S71 PolarHBondContact OD2-OG 3.3Å; D69-R73 IonicContact OD1-NH2 3.94Å
70	G	76.2	Confident	76.8	Confident	57 Å²	57	75.3 Å²	75.3	59%	0.588	42%	0.421	S	S	*	.	S	Bend	trans	78.7	7.4	-172.3	0	0	0	0	0	114.7	G67	G67-G70 PolarHBondContact O-N 3.24Å
71	S	76.5	Confident	76.5	Confident	41 Å²	41	79.2 Å²	79.2	29%	0.287	44%	0.439	S	S	.	.			trans	-69.7	136.2	175.7	61	0	0	0	0	111.7	G67 D69	G67-S71 PolarHBondContact N-O 3.26Å; D69-S71 VanDerWaalsContact C-N 3.31Å; D69-S71 VanDerWaalsContact CG-OG 3.24Å; D69-S71 WeakPolarHBondContact OD1-CB 3.32Å; D69-S71 PolarHBondContact OD1-N 3.4Å; D69-S71 VanDerWaalsContact OD1-N 3.16Å; D69-S71 PolarHBondContact OD1-OG 2.85Å; D69-S71 WeakPolarHBondContact OD2-CB 3.45Å; D69-S71 PolarHBondContact OD2-OG 3.3Å
72	E	75.5	Confident	76	Confident	179 Å²	179	78.9 Å²	78.9	84%	0.836	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-77.1	130.3	171.1	-172.2	179.4	-175.7	0	0	110.3	S65	S65-E72 CarbonylContact O-C 3.58Å
73	R	75.1	Confident	75.3	Confident	57 Å²	57	78.7 Å²	78.7	22%	0.215	44%	0.437	C	S	.	.			trans	-118.9	133.6	-178	-57.4	176.7	179.7	-161.3	-1.7	109.2	S65 D69 V75	S65-R73 VanDerWaalsContact CB-O 3.23Å; S65-R73 WeakPolarHBondContact CB-O 3.38Å; S65-R73 WeakPolarHBondContact O-CB 3.28Å; S65-R73 PolarHBondContact O-N 2.82Å; D69-R73 IonicContact OD1-NH2 3.94Å; R73-V75 PolarHBondContact O-N 3.38Å
74	V	72.9	Confident	74.6	Confident	148 Å²	148	77.9 Å²	77.9	90%	0.897	44%	0.44	S	S	*	.			trans	-69.2	117.6	173.6	-177.9	0	0	0	0	108.8
75	V	69.1	Low	74.4	Confident	35 Å²	35	80.1 Å²	80.1	21%	0.212	45%	0.454	C	S	.	.			trans	-114.3	135.3	178.6	177.7	0	0	0	0	108.7	I64 R73	I64-V75 HydrophobicContact CB-CG2 4.43Å; I64-V75 HydrophobicContact CG2-CG1 4.06Å; I64-V75 HydrophobicContact CG2-CG2 3.89Å; R73-V75 PolarHBondContact O-N 3.38Å
76	E	72	Confident	73.5	Confident	144 Å²	144	82.8 Å²	82.8	67%	0.673	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-66.8	131.9	168.9	-67.7	175.2	145.2	0	0	110	L78 R92	E76-L78 PolarHBondContact O-N 3.19Å; E76-R92 VanDerWaalsContact CB-NH2 3.31Å; E76-R92 PolarHBondContact O-NH1 3.12Å; E76-R92 IonicContact OE2-CZ 3.18Å; E76-R92 IonicContact OE2-NE 3.95Å; E76-R92 IonicContact OE2-NH2 2.75Å; E76-R92 PolarHBondContact OE2-NH2 3.3Å
77	S	74.6	Confident	73.2	Confident	94 Å²	94	81.2 Å²	81.2	66%	0.657	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-48.2	135.8	-179	55	0	0	0	0	113	E61	E61-S77 WeakPolarHBondContact OE1-CA 3.48Å; E61-S77 WeakPolarHBondContact OE1-CB 3.23Å
78	L	76.5	Confident	73.2	Confident	9 Å²	9	82.4 Å²	82.4	5%	0.047	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-76.5	125	174.8	-72.9	171.7	0	0	0	109.7	L57 T60 E61 I64 E76 D82	L57-L78 HydrophobicContact CD2-CB 4.23Å; T60-L78 HydrophobicContact CG2-CD1 3.62Å; E61-L78 HydrophobicContact CG-CB 4.06Å; E61-L78 HydrophobicContact CG-CD1 3.99Å; E61-L78 HydrophobicContact CG-CG 3.97Å; E61-L78 PolarHBondContact OE1-N 3.25Å; I64-L78 HydrophobicContact CD1-CD1 4.08Å; E76-L78 PolarHBondContact O-N 3.19Å; L78-D82 HydrophobicContact CD2-CB 3.9Å
79	S	80.5	Confident	73	Confident	48 Å²	48	76.9 Å²	76.9	34%	0.336	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-77	160.7	164	74.4	0	0	0	0	110.5	I81 D82 A83	S79-I81 PolarHBondContact O-N 3.28Å; S79-I81 WeakPolarHBondContact OG-CG2 3.48Å; S79-D82 VanDerWaalsContact CB-OD2 3.27Å; S79-D82 WeakPolarHBondContact CB-OD2 3.4Å; S79-D82 PolarHBondContact N-OD2 3.37Å; S79-D82 WeakPolarHBondContact O-CB 3.42Å; S79-D82 PolarHBondContact O-N 3.18Å; S79-D82 VanDerWaalsContact O-N 3.09Å; S79-D82 PolarHBondContact OG-N 3.07Å; S79-D82 PolarHBondContact OG-OD2 3.49Å; S79-A83 PolarHBondContact O-N 3.42Å
80	L	76.1	Confident	72.8	Confident	96 Å²	96	77.4 Å²	77.4	50%	0.503	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.5	176.1	-172.3	58.9	0	0	0	112.8	I53 L57	I53-L80 HydrophobicContact CG2-CD1 3.48Å; I53-L80 VanDerWaalsContact CG2-CD1 3.48Å; I53-L80 HydrophobicContact CG2-CD2 4.27Å; L57-L80 HydrophobicContact CD1-CB 4.42Å; L57-L80 HydrophobicContact CD1-CD1 4.3Å
81	I	75.4	Confident	72.7	Confident	121 Å²	121	80.7 Å²	80.7	62%	0.621	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-28.6	175.2	-169.1	65	0	0	0	112.3	S79 V84 V85	S79-I81 PolarHBondContact O-N 3.28Å; S79-I81 WeakPolarHBondContact OG-CG2 3.48Å; I81-V84 HydrophobicContact CD1-CG2 3.94Å; I81-V84 WeakPolarHBondContact O-CG2 3.18Å; I81-V85 WeakPolarHBondContact O-CG2 3.43Å
82	D	72.4	Confident	72.4	Confident	42 Å²	42	81.1 Å²	81.1	23%	0.225	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-41	173.1	-62.8	-54.8	0	0	0	111.5	L78 S79 V84 V85 V88	L78-D82 HydrophobicContact CD2-CB 3.9Å; S79-D82 VanDerWaalsContact CB-OD2 3.27Å; S79-D82 WeakPolarHBondContact CB-OD2 3.4Å; S79-D82 PolarHBondContact N-OD2 3.37Å; S79-D82 WeakPolarHBondContact O-CB 3.42Å; S79-D82 PolarHBondContact O-N 3.18Å; S79-D82 VanDerWaalsContact O-N 3.09Å; S79-D82 PolarHBondContact OG-N 3.07Å; S79-D82 PolarHBondContact OG-OD2 3.49Å; D82-V84 VanDerWaalsContact C-N 3.29Å; D82-V84 PolarHBondContact O-N 3.47Å; D82-V85 PolarHBondContact O-N 3.37Å; D82-V88 HydrophobicContact CB-CG1 4.03Å
83	A	67.3	Low	72.1	Confident	39 Å²	39	76.1 Å²	76.1	32%	0.322	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.4	-174.8	0	0	0	0	0	114.6	L57 S79	L57-A83 HydrophobicContact CD2-CB 3.42Å; L57-A83 VanDerWaalsContact CD2-CB 3.42Å; S79-A83 PolarHBondContact O-N 3.42Å
84	V	66.4	Low	72.1	Confident	99 Å²	99	77 Å²	77	60%	0.6	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	3.5	175.1	-61.5	0	0	0	0	113.4	I81 D82	I81-V84 HydrophobicContact CD1-CG2 3.94Å; I81-V84 WeakPolarHBondContact O-CG2 3.18Å; D82-V84 VanDerWaalsContact C-N 3.29Å; D82-V84 PolarHBondContact O-N 3.47Å
85	V	71.9	Confident	72.1	Confident	55 Å²	55	75.7 Å²	75.7	33%	0.333	40%	0.403	S	S	.	.			trans	-114.5	99.3	176.5	-177.9	0	0	0	0	108.7	I81 D82 D87 V88	I81-V85 WeakPolarHBondContact O-CG2 3.43Å; D82-V85 PolarHBondContact O-N 3.37Å; V85-D87 VanDerWaalsContact C-N 3.26Å; V85-D87 HydrophobicContact CG1-CB 4.13Å; V85-D87 PolarHBondContact O-N 3.06Å; V85-V88 HydrophobicContact CB-CG2 3.81Å; V85-V88 HydrophobicContact CG1-CG2 3.77Å; V85-V88 WeakPolarHBondContact O-CB 3.4Å; V85-V88 PolarHBondContact O-N 3.16Å
86	P	61.7	Low	72	Confident	76 Å²	76	75.7 Å²	75.7	49%	0.494	40%	0.402	S	S	.	.	H	α-helix	trans	-59.1	-36.4	-169.5	22.1	-33	0	0	0	113	V88 I89 L230	P86-V88 PolarHBondContact O-N 3.14Å; P86-V88 VanDerWaalsContact O-N 3.11Å; P86-I89 PolarHBondContact O-N 2.92Å; P86-L230 HydrophobicContact CG-CD2 3.52Å
87	D	75.3	Confident	71.8	Confident	77 Å²	77	72.8 Å²	72.8	41%	0.412	39%	0.387	S	S	.	.	H	α-helix	trans	-47.5	-34	170.5	-81.4	44.6	0	0	0	114.6	V85 E90 K91	V85-D87 VanDerWaalsContact C-N 3.26Å; V85-D87 HydrophobicContact CG1-CB 4.13Å; V85-D87 PolarHBondContact O-N 3.06Å; D87-E90 PolarHBondContact O-N 3.01Å; D87-K91 HydrophobicContact CB-CD 4.13Å; D87-K91 WeakPolarHBondContact O-CB 3.21Å; D87-K91 WeakPolarHBondContact O-CD 3.41Å; D87-K91 WeakPolarHBondContact O-CG 3.44Å; D87-K91 PolarHBondContact O-N 2.83Å; D87-K91 VanDerWaalsContact OD2-CE 3.25Å; D87-K91 WeakPolarHBondContact OD2-CE 3.14Å; D87-K91 IonicContact OD2-NZ 3.77Å; D87-K91 PolarHBondContact OD2-NZ 3.36Å
88	V	72.4	Confident	71.3	Confident	32 Å²	32	74.2 Å²	74.2	19%	0.194	38%	0.383	C	S	.	.	H	α-helix	trans	-69.8	-39.6	-171.5	174.9	0	0	0	0	111.3	D82 V85 P86 R92	D82-V88 HydrophobicContact CB-CG1 4.03Å; V85-V88 HydrophobicContact CB-CG2 3.81Å; V85-V88 HydrophobicContact CG1-CG2 3.77Å; V85-V88 WeakPolarHBondContact O-CB 3.4Å; V85-V88 PolarHBondContact O-N 3.16Å; P86-V88 PolarHBondContact O-N 3.14Å; P86-V88 VanDerWaalsContact O-N 3.11Å; V88-R92 WeakPolarHBondContact O-CB 3.2Å; V88-R92 PolarHBondContact O-N 3.32Å
89	I	68.5	Low	70.5	Confident	46 Å²	46	78.5 Å²	78.5	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-64.5	-46.9	177.7	-61	177.2	0	0	0	109.7	T60 I64 P86 R92 K93	T60-I89 HydrophobicContact CG2-CD1 3.95Å; I64-I89 HydrophobicContact CD1-CG1 4.33Å; I64-I89 HydrophobicContact CD1-CG2 4.05Å; I64-I89 HydrophobicContact CG1-CG2 4.33Å; P86-I89 PolarHBondContact O-N 2.92Å; I89-R92 PolarHBondContact O-N 2.83Å; I89-K93 HydrophobicContact CG2-CD 4.16Å; I89-K93 WeakPolarHBondContact O-CB 3.24Å; I89-K93 WeakPolarHBondContact O-CG 3.39Å; I89-K93 PolarHBondContact O-N 3.43Å
90	E	71.8	Confident	69.4	Low	130 Å²	130	79.1 Å²	79.1	61%	0.607	41%	0.407	S	S	*	.	H	α-helix	trans	-68.6	-41	179.2	-175.7	167.7	-148.3	0	0	112.1	D87 R92 K93 N94	D87-E90 PolarHBondContact O-N 3.01Å; E90-R92 PolarHBondContact O-N 3.44Å; E90-K93 PolarHBondContact O-N 2.67Å; E90-N94 WeakPolarHBondContact CG-ND2 3.39Å; E90-N94 WeakPolarHBondContact O-CB 3.4Å; E90-N94 PolarHBondContact O-N 2.64Å; E90-N94 PolarHBondContact O-ND2 2.86Å
91	K	74.8	Confident	68.2	Low	127 Å²	127	79 Å²	79	55%	0.552	41%	0.41	S	S	*	.	H	α-helix	trans	-62.6	-40.7	175.1	-73.1	167.3	-168.8	170.5	0	111.8	D87 F95	D87-K91 HydrophobicContact CB-CD 4.13Å; D87-K91 WeakPolarHBondContact O-CB 3.21Å; D87-K91 WeakPolarHBondContact O-CD 3.41Å; D87-K91 WeakPolarHBondContact O-CG 3.44Å; D87-K91 PolarHBondContact O-N 2.83Å; D87-K91 VanDerWaalsContact OD2-CE 3.25Å; D87-K91 WeakPolarHBondContact OD2-CE 3.14Å; D87-K91 IonicContact OD2-NZ 3.77Å; D87-K91 PolarHBondContact OD2-NZ 3.36Å; K91-F95 VanDerWaalsContact O-CB 3.23Å; K91-F95 WeakPolarHBondContact O-CB 3.45Å; K91-F95 PolarHBondContact O-N 2.83Å
92	R	71	Confident	66.7	Low	49 Å²	49	77.4 Å²	77.4	19%	0.185	41%	0.406	C	S	.	.	H	α-helix	trans	-66.2	-46.3	172.5	-87.8	-174.1	169.9	166.5	1.5	112	E76 V88 I89 E90 N94 F95 L96	E76-R92 VanDerWaalsContact CB-NH2 3.31Å; E76-R92 PolarHBondContact O-NH1 3.12Å; E76-R92 IonicContact OE2-CZ 3.18Å; E76-R92 IonicContact OE2-NE 3.95Å; E76-R92 IonicContact OE2-NH2 2.75Å; E76-R92 PolarHBondContact OE2-NH2 3.3Å; V88-R92 WeakPolarHBondContact O-CB 3.2Å; V88-R92 PolarHBondContact O-N 3.32Å; I89-R92 PolarHBondContact O-N 2.83Å; E90-R92 PolarHBondContact O-N 3.44Å; R92-N94 VanDerWaalsContact C-N 3.3Å; R92-N94 PolarHBondContact O-N 3.35Å; R92-F95 PolarHBondContact O-N 3.48Å; R92-L96 WeakPolarHBondContact O-CB 3.32Å; R92-L96 VanDerWaalsContact O-CG 3.32Å; R92-L96 WeakPolarHBondContact O-CG 3.38Å; R92-L96 PolarHBondContact O-N 3.04Å
93	K	68.8	Low	65.1	Low	75 Å²	75	81.4 Å²	81.4	33%	0.326	43%	0.432	S	S	.	.	H	α-helix	trans	-58.4	-40.9	176.3	-74.6	-178.6	178.9	-176.6	0	111.7	E63 I89 E90 K97	E63-K93 IonicContact OE1-NZ 3.66Å; E63-K93 PolarHBondContact OE1-NZ 2.78Å; I89-K93 HydrophobicContact CG2-CD 4.16Å; I89-K93 WeakPolarHBondContact O-CB 3.24Å; I89-K93 WeakPolarHBondContact O-CG 3.39Å; I89-K93 PolarHBondContact O-N 3.43Å; E90-K93 PolarHBondContact O-N 2.67Å; K93-K97 WeakPolarHBondContact O-CG 3.44Å; K93-K97 PolarHBondContact O-N 3.36Å; K93-K97 VanDerWaalsContact O-N 3.11Å
94	N	74.8	Confident	63.7	Low	74 Å²	74	84.5 Å²	84.5	40%	0.396	45%	0.452	S	S	.	.	H	α-helix	trans	-71.7	-40.8	176.5	-75.4	-32.3	0	0	0	113.6	E90 R92 L96 K97 Q98	E90-N94 WeakPolarHBondContact CG-ND2 3.39Å; E90-N94 WeakPolarHBondContact O-CB 3.4Å; E90-N94 PolarHBondContact O-N 2.64Å; E90-N94 PolarHBondContact O-ND2 2.86Å; R92-N94 VanDerWaalsContact C-N 3.3Å; R92-N94 PolarHBondContact O-N 3.35Å; N94-L96 VanDerWaalsContact C-N 3.35Å; N94-L96 PolarHBondContact O-N 2.91Å; N94-K97 PolarHBondContact O-N 3.46Å; N94-Q98 WeakPolarHBondContact O-CG 3.45Å; N94-Q98 PolarHBondContact O-N 2.91Å
95	F	73.1	Confident	62.2	Low	122 Å²	122	83.7 Å²	83.7	54%	0.535	46%	0.455	S	S	.	.	H	α-helix	trans	-62	-41.5	175.2	-178.2	-119.8	0	0	0	111.8	K91 R92 Q98 Q99	K91-F95 VanDerWaalsContact O-CB 3.23Å; K91-F95 WeakPolarHBondContact O-CB 3.45Å; K91-F95 PolarHBondContact O-N 2.83Å; R92-F95 PolarHBondContact O-N 3.48Å; F95-Q98 PolarHBondContact O-N 3.21Å; F95-Q99 VanDerWaalsContact CZ-NE2 3.3Å; F95-Q99 PolarHBondContact O-N 3.02Å
96	L	67	Low	60.2	Low	35 Å²	35	85.9 Å²	85.9	18%	0.183	47%	0.473	C	S	.	.	H	α-helix	trans	-63.5	-41.3	173.8	-71	167.4	0	0	0	112	I64 R92 N94 Q98 Q99 S100	I64-L96 HydrophobicContact CG2-CD1 4.26Å; R92-L96 WeakPolarHBondContact O-CB 3.32Å; R92-L96 VanDerWaalsContact O-CG 3.32Å; R92-L96 WeakPolarHBondContact O-CG 3.38Å; R92-L96 PolarHBondContact O-N 3.04Å; N94-L96 VanDerWaalsContact C-N 3.35Å; N94-L96 PolarHBondContact O-N 2.91Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.11Å; L96-Q99 PolarHBondContact O-N 3.32Å; L96-S100 PolarHBondContact O-N 3.48Å; L96-S100 PolarHBondContact O-OG 3.17Å
97	K	66.6	Low	58.9	Low	83 Å²	83	91 Å²	91	36%	0.361	50%	0.496	S	S	.	.	H	α-helix	trans	-60.3	-37.8	173.7	-76.7	-174.4	177.5	-167	0	112.5	E68 K93 N94 S100 T101	E68-K97 VanDerWaalsContact CD-NZ 3.27Å; E68-K97 VanDerWaalsContact OE1-CE 3.31Å; E68-K97 WeakPolarHBondContact OE1-CE 3.28Å; E68-K97 IonicContact OE1-NZ 2.73Å; E68-K97 PolarHBondContact OE1-NZ 3.02Å; E68-K97 VanDerWaalsContact OE2-CE 3.28Å; E68-K97 WeakPolarHBondContact OE2-CE 3.31Å; E68-K97 IonicContact OE2-NZ 2.77Å; E68-K97 PolarHBondContact OE2-NZ 3.44Å; E68-K97 VanDerWaalsContact OE2-NZ 3.15Å; K93-K97 WeakPolarHBondContact O-CG 3.44Å; K93-K97 PolarHBondContact O-N 3.36Å; K93-K97 VanDerWaalsContact O-N 3.11Å; N94-K97 PolarHBondContact O-N 3.46Å; K97-S100 WeakPolarHBondContact CA-OG 3.3Å; K97-S100 PolarHBondContact O-N 3.46Å; K97-S100 PolarHBondContact O-OG 2.9Å; K97-T101 PolarHBondContact O-N 2.64Å; K97-T101 PolarHBondContact O-OG1 2.84Å
98	Q	65	Low	57	Low	124 Å²	124	92 Å²	92	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-68.7	-36.1	175.7	-69.4	176.9	17.2	0	0	113	N94 F95 L96 T101 T102	N94-Q98 WeakPolarHBondContact O-CG 3.45Å; N94-Q98 PolarHBondContact O-N 2.91Å; F95-Q98 PolarHBondContact O-N 3.21Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.11Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.41Å; Q98-T101 PolarHBondContact O-N 3.3Å; Q98-T101 PolarHBondContact O-OG1 3.5Å; Q98-T102 PolarHBondContact O-N 2.88Å; Q98-T102 PolarHBondContact O-OG1 3.11Å
99	Q	60.7	Low	55.1	Low	99 Å²	99	96.7 Å²	96.7	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-67.4	-41.1	172.9	-67.7	-169.4	30.7	0	0	112.2	F95 L96 T101 T102 T103	F95-Q99 VanDerWaalsContact CZ-NE2 3.3Å; F95-Q99 PolarHBondContact O-N 3.02Å; L96-Q99 PolarHBondContact O-N 3.32Å; Q99-T101 PolarHBondContact O-N 2.85Å; Q99-T102 PolarHBondContact O-N 3.04Å; Q99-T102 PolarHBondContact O-OG1 3.15Å; Q99-T103 PolarHBondContact O-OG1 2.92Å
100	S	56.4	Low	53.5	Low	61 Å²	61	99.6 Å²	99.6	43%	0.427	56%	0.559	S	S	.	*	H	α-helix	trans	-67.8	-11.8	176.2	57.8	0	0	0	0	114.9	L96 K97	L96-S100 PolarHBondContact O-N 3.48Å; L96-S100 PolarHBondContact O-OG 3.17Å; K97-S100 WeakPolarHBondContact CA-OG 3.3Å; K97-S100 PolarHBondContact O-N 3.46Å; K97-S100 PolarHBondContact O-OG 2.9Å
101	T	50.4	Low	51.6	Low	92 Å²	92	98.3 Å²	98.3	56%	0.564	57%	0.565	S	S	*	*	H	α-helix	trans	-108.3	-6.9	179	43.9	0	0	0	0	114.2	K97 Q98 Q99	K97-T101 PolarHBondContact O-N 2.64Å; K97-T101 PolarHBondContact O-OG1 2.84Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.41Å; Q98-T101 PolarHBondContact O-N 3.3Å; Q98-T101 PolarHBondContact O-OG1 3.5Å; Q99-T101 PolarHBondContact O-N 2.85Å
102	T	44	Very low	49.7	Very low	88 Å²	88	97.9 Å²	97.9	54%	0.54	58%	0.578	S	S	.	*	H	α-helix	trans	-99.4	-18	178.1	39.3	0	0	0	0	113.9	Q98 Q99 S104	Q98-T102 PolarHBondContact O-N 2.88Å; Q98-T102 PolarHBondContact O-OG1 3.11Å; Q99-T102 PolarHBondContact O-N 3.04Å; Q99-T102 PolarHBondContact O-OG1 3.15Å; T102-S104 VanDerWaalsContact C-N 3.31Å; T102-S104 PolarHBondContact O-N 3.24Å
103	T	39.6	Very low	47.8	Very low	126 Å²	126	101.3 Å²	101.3	77%	0.773	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-4.6	177.9	39.1	0	0	0	0	115.1	Q99	Q99-T103 PolarHBondContact O-OG1 2.92Å
104	S	37.9	Very low	46.2	Very low	104 Å²	104	104.8 Å²	104.8	73%	0.727	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	3.4	-178.7	52.5	0	0	0	0	114.7	T102	T102-S104 VanDerWaalsContact C-N 3.31Å; T102-S104 PolarHBondContact O-N 3.24Å
105	A	33.8	Very low	44	Very low	82 Å²	82	106 Å²	106	68%	0.678	64%	0.639	S	S	*	*	S	Bend	trans	-136.7	19.5	-166.4	0	0	0	0	0	116.5
106	S	31.7	Very low	42.2	Very low	101 Å²	101	106.8 Å²	106.8	71%	0.706	65%	0.648	S	S	*	*			trans	-150.6	73.6	179.5	57.9	0	0	0	0	116.3
107	L	33.9	Very low	40.7	Very low	184 Å²	184	109.7 Å²	109.7	96%	0.963	67%	0.672	S	S	*	*			trans	-152.2	116.1	159.3	-110	153.6	0	0	0	109.4
108	S	34	Very low	39.3	Very low	97 Å²	97	111.9 Å²	111.9	68%	0.678	69%	0.692	S	S	*	*			trans	-145.4	144.8	-168	60	0	0	0	0	113.8
109	T	32.7	Very low	37.9	Very low	132 Å²	132	111.7 Å²	111.7	81%	0.81	70%	0.699	S	S	*	*			trans	69.5	162.4	169.1	75.7	0	0	0	0	116.8
110	P	35.6	Very low	36.7	Very low	107 Å²	107	114.5 Å²	114.5	70%	0.695	72%	0.717	S	S	*	*				-138.3	175.4	-66.1	38.8	-23.5	0	0	0	115
111	S	31.8	Very low	35.6	Very low	103 Å²	103	116.1 Å²	116.1	72%	0.72	73%	0.728	S	S	*	*			trans	96.9	129.4	153.6	-39.2	0	0	0	0	119.5
112	S	34	Very low	35	Very low	117 Å²	117	117.4 Å²	117.4	82%	0.818	74%	0.741	S	S	*	*			trans	70.9	154.2	152.1	85.2	0	0	0	0	117.5
113	V	32.3	Very low	34.5	Very low	122 Å²	122	119.2 Å²	119.2	74%	0.739	75%	0.752	S	S	*	*			cis	-162.2	155.9	-19.3	121.7	0	0	0	0	108.5
114	L	34	Very low	34.3	Very low	148 Å²	148	119 Å²	119	78%	0.775	75%	0.75	S	S	*	*			trans	70.7	120.1	166.7	-114.4	70.6	0	0	0	119.8
115	C	30.4	Very low	34.1	Very low	100 Å²	100	120.5 Å²	120.5	68%	0.676	75%	0.75	S	S	*	*			trans	42	155.9	132.1	82	0	0	0	0	122.5
116	N	34.8	Very low	33.9	Very low	138 Å²	138	121.8 Å²	121.8	74%	0.738	75%	0.753	S	S	*	*			cis	-159.7	148.4	20.7	-145.7	5.6	0	0	0	113.7
117	S	36	Very low	34.1	Very low	96 Å²	96	124.7 Å²	124.7	67%	0.671	76%	0.759	S	S	*	*			trans	62.6	149.3	158.8	-49	0	0	0	0	118.4
118	T	36.4	Very low	34.2	Very low	129 Å²	129	121.3 Å²	121.3	79%	0.791	75%	0.748	S	S	*	*			cis	-143.6	156.7	14.6	-35.5	0	0	0	0	112.6
119	T	34.9	Very low	34.2	Very low	119 Å²	119	125.6 Å²	125.6	73%	0.73	76%	0.757	S	S	*	*			trans	-65.6	173	174.6	47.4	0	0	0	0	114.5
120	L	36.2	Very low	34.1	Very low	158 Å²	158	125.6 Å²	125.6	83%	0.827	76%	0.756	S	S	*	*			cis	-153.8	178.3	21.4	-134.2	146.1	0	0	0	112.3
121	S	33.4	Very low	34	Very low	96 Å²	96	124.2 Å²	124.2	67%	0.671	76%	0.761	S	S	*	*			trans	-83.7	160.3	-165	60.6	0	0	0	0	117.9
122	S	37.1	Very low	33.9	Very low	119 Å²	119	124.6 Å²	124.6	83%	0.832	76%	0.764	S	S	*	*				-148.8	135	124.5	57.4	0	0	0	0	112.5
123	T	34.2	Very low	33.9	Very low	125 Å²	125	125.4 Å²	125.4	77%	0.767	76%	0.764	S	S	*	*			trans	-94.6	176.1	171.1	41.9	0	0	0	0	109.7
124	V	35.2	Very low	33.8	Very low	123 Å²	123	124.2 Å²	124.2	75%	0.745	76%	0.761	S	S	*	*			cis	-154.9	143.4	38.1	-179.3	0	0	0	0	112.7
125	N	33.7	Very low	33.7	Very low	135 Å²	135	123 Å²	123	72%	0.722	76%	0.759	S	S	*	*			trans	-15.7	164.9	148.5	-59.4	4.6	0	0	0	119.5
126	C	30.1	Very low	33.6	Very low	108 Å²	108	123.9 Å²	123.9	73%	0.73	76%	0.762	S	S	*	*			cis	-176	-176.2	-17.9	-95.3	0	0	0	0	108.9
127	I	34.5	Very low	33.5	Very low	163 Å²	163	121.9 Å²	121.9	84%	0.836	76%	0.759	S	S	*	*			trans	98.9	119.3	159.2	-54.4	171.4	0	0	0	115.5
128	P	36.2	Very low	33.3	Very low	113 Å²	113	122.4 Å²	122.4	73%	0.734	76%	0.762	S	S	*	*			trans	-103.4	159.9	175.2	39	-33.1	0	0	0	113.5
129	H	34.2	Very low	33.2	Very low	187 Å²	187	122.8 Å²	122.8	87%	0.866	76%	0.764	S	S	*	*			trans	-153.4	157.6	148.8	-139.8	-92.2	0	0	0	114.7
130	V	30.6	Very low	33	Very low	132 Å²	132	122.4 Å²	122.4	80%	0.8	77%	0.767	S	S	*	*			trans	-65.3	140.8	-171.8	-176.2	0	0	0	0	113.9
131	G	34.2	Very low	32.8	Very low	77 Å²	77	122.8 Å²	122.8	79%	0.794	77%	0.77	S	S	*	*			trans	-159.3	125.2	169	0	0	0	0	0	112.2
132	S	30.1	Very low	32.6	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	78%	0.776	S	S	*	*			trans	-95.6	176.3	-167.2	51.1	0	0	0	0	115.3
133	V	32.5	Very low	32.3	Very low	133 Å²	133	128 Å²	128	81%	0.806	78%	0.775	S	S	*	*			trans	106.3	122.7	160.2	-172.9	0	0	0	0	117.2
134	S	30.1	Very low	32.2	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	78%	0.777	S	S	*	*			trans	-59.7	160.4	176.1	51.2	0	0	0	0	117.5
135	V	32	Very low	31.9	Very low	123 Å²	123	128.7 Å²	128.7	75%	0.745	78%	0.776	S	S	*	*				176.7	123	112	151.3	0	0	0	0	112.7
136	T	30.1	Very low	31.9	Very low	119 Å²	119	129 Å²	129	73%	0.73	78%	0.783	S	S	*	*			trans	34	152	155.7	65.7	0	0	0	0	126
137	S	32.6	Very low	31.7	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	79%	0.785	S	S	*	*			trans	79	110.4	141.8	58	0	0	0	0	121.5
138	S	31	Very low	31.7	Very low	107 Å²	107	128 Å²	128	75%	0.748	78%	0.78	S	S	*	*			trans	46.8	136.2	133.8	65.4	0	0	0	0	120.1
139	T	33.8	Very low	31.6	Very low	136 Å²	136	131 Å²	131	83%	0.834	78%	0.784	S	S	*	*			cis	-144.1	178.3	41.4	40.3	0	0	0	0	114.4
140	S	30.4	Very low	31.5	Very low	112 Å²	112	126.1 Å²	126.1	78%	0.783	77%	0.771	S	S	*	*			trans	-55.1	152.7	178.6	-38.5	0	0	0	0	115.6
141	D	33.3	Very low	31.5	Very low	166 Å²	166	131.3 Å²	131.3	89%	0.888	78%	0.778	S	S	*	*			trans	-144.4	163.9	144.6	-125.8	-35.1	0	0	0	110.6
142	Q	28.8	Very low	31.5	Very low	172 Å²	172	132.9 Å²	132.9	80%	0.804	77%	0.774	S	S	*	*			trans	-102	-166.6	-172.1	-61.9	-174.6	-4	0	0	113.2
143	L	31.3	Very low	31.6	Very low	153 Å²	153	136.1 Å²	136.1	80%	0.801	78%	0.782	S	S	*	*			trans	84.5	134	175.2	-52.5	168.7	0	0	0	114.1
144	L	31.5	Very low	31.3	Very low	157 Å²	157	136.8 Å²	136.8	82%	0.822	78%	0.781	S	S	*	*			cis	-148.9	154.1	-1.3	-102.1	148.6	0	0	0	109.5
145	S	28.7	Very low	31.3	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	79%	0.787	S	S	*	*			trans	-108.6	157.7	167.7	55.7	0	0	0	0	111.4
146	V	33.1	Very low	31.3	Very low	141 Å²	141	138.8 Å²	138.8	86%	0.855	79%	0.786	S	S	*	*			trans	-129.6	137.7	177.5	-178.2	0	0	0	0	109.2
147	N	27.3	Very low	31.1	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	79%	0.791	S	S	*	*			trans	-97.5	151.1	-174	-66.2	-35.7	0	0	0	113.1
148	S	33.9	Very low	31.1	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	80%	0.797	S	S	*	*			trans	-158.5	108.8	144.7	49.3	0	0	0	0	112.9
149	H	34.4	Very low	31.1	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.815	80%	0.796	S	S	*	*			trans	45.3	150.7	133.8	-57.8	-66.9	0	0	0	123.5
150	S	31.4	Very low	31.1	Very low	84 Å²	84	140 Å²	140	59%	0.587	79%	0.791	S	S	*	*			cis	165.1	118.5	-49.9	52	0	0	0	0	110.8
151	Y	31.6	Very low	31.3	Very low	241 Å²	241	141.2 Å²	141.2	95%	0.945	79%	0.794	S	S	*	*			trans	-150.5	135.7	156.8	-83.3	-67.5	0	0	0	110.6
152	P	33.1	Very low	30.9	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	79%	0.791	S	S	*	*			trans	-112.6	163.9	-171.3	40.9	-34.2	0	0	0	115.3
153	L	32.7	Very low	31.2	Very low	180 Å²	180	141 Å²	141	94%	0.942	79%	0.792	S	S	*	*			trans	-137.6	137.4	151	-81.6	174.9	0	0	0	109
154	D	26	Very low	31.3	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	79%	0.785	S	S	*	*			trans	-82.5	154.4	-173.9	-70.3	-74.1	0	0	0	114.2
155	I	31.4	Very low	31.1	Very low	159 Å²	159	140.5 Å²	140.5	82%	0.815	79%	0.788	S	S	*	*				-168.5	126.3	112.6	-97.7	160.6	0	0	0	112.3
156	S	31.3	Very low	31.4	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	79%	0.788	S	S	*	*			trans	17.8	122	165.8	64.8	0	0	0	0	122
157	T	26.6	Very low	31.3	Very low	136 Å²	136	140.9 Å²	140.9	83%	0.834	79%	0.785	S	S	*	*			trans	-101	151.7	153.3	-27	0	0	0	0	110.9
158	V	31.7	Very low	31.7	Very low	133 Å²	133	139.2 Å²	139.2	81%	0.806	78%	0.781	S	S	*	*			trans	-137.2	115.6	168.4	-177.1	0	0	0	0	110.7
159	P	30.3	Very low	31.8	Very low	112 Å²	112	139 Å²	139	73%	0.727	78%	0.779	S	S	*	*			trans	-114.5	144.6	173.4	37.1	-27.9	0	0	0	113.5
160	S	35.1	Very low	31.9	Very low	104 Å²	104	139 Å²	139	73%	0.727	78%	0.779	S	S	*	*			trans	-158	98.2	168.1	-73.2	0	0	0	0	110.1
161	T	33.1	Very low	32.1	Very low	136 Å²	136	139.8 Å²	139.8	83%	0.834	79%	0.785	S	S	*	*				80.8	129.5	104.5	53.4	0	0	0	0	116.8
162	L	26.4	Very low	32.3	Very low	160 Å²	160	134.1 Å²	134.1	84%	0.838	78%	0.775	S	S	*	*			trans	-73	158.1	176.1	-67.3	67.7	0	0	0	112.2
163	H	34.4	Very low	32.5	Very low	175 Å²	175	135 Å²	135	81%	0.81	78%	0.778	S	S	*	*			trans	-164.6	120.3	131.6	-113.4	-73.9	0	0	0	116.1
164	T	32.3	Very low	32.6	Very low	108 Å²	108	129.2 Å²	129.2	66%	0.663	76%	0.763	S	S	*	*			trans	29.8	112.4	142.8	54.1	0	0	0	0	124.2
165	Q	27.6	Very low	33	Very low	190 Å²	190	131.2 Å²	131.2	89%	0.888	77%	0.766	S	S	*	*				44.9	161.3	121.3	-79.5	-175.7	-20.4	0	0	125.2
166	S	34.7	Very low	33.1	Very low	105 Å²	105	127.7 Å²	127.7	73%	0.734	76%	0.762	S	S	*	*			trans	83.2	143	172.3	74.9	0	0	0	0	117.7
167	D	32.9	Very low	33.5	Very low	148 Å²	148	128.3 Å²	128.3	79%	0.791	76%	0.763	S	S	*	*			cis	-159	152.9	-17.5	-111	-23.8	0	0	0	115.1
168	V	34	Very low	33.6	Very low	111 Å²	111	129 Å²	129	67%	0.673	76%	0.76	S	S	*	*			trans	29.9	126.6	146.5	-178.4	0	0	0	0	122.2
169	S	36	Very low	33.6	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	76%	0.757	S	S	*	*				179.4	127.5	114.5	38.3	0	0	0	0	117
170	H	37.9	Very low	33.6	Very low	175 Å²	175	131.5 Å²	131.5	81%	0.81	76%	0.755	S	S	*	*			trans	39.9	151.9	146.9	-58.7	-69.1	0	0	0	123
171	S	35.9	Very low	33.5	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	75%	0.754	S	S	*	*			cis	-148.5	139.7	13.8	55.2	0	0	0	0	114.7
172	T	34.4	Very low	33.4	Very low	121 Å²	121	133 Å²	133	74%	0.742	75%	0.748	S	S	*	*				26.1	144.6	121.3	1.4	0	0	0	0	120
173	V	37.8	Very low	33.7	Very low	128 Å²	128	130 Å²	130	78%	0.776	74%	0.741	S	S	*	*			cis	-152.8	155.2	26.9	-174.1	0	0	0	0	108.8
174	G	34.1	Very low	33.7	Very low	60 Å²	60	126.9 Å²	126.9	62%	0.619	74%	0.739	S	S	*	*			cis	155.1	159.8	-8	0	0	0	0	0	113.6
175	H	35.6	Very low	33.7	Very low	189 Å²	189	129.6 Å²	129.6	88%	0.875	75%	0.748	S	S	*	*			trans	64.1	155.5	167.1	-59.8	-78.3	0	0	0	120.2
176	A	33.1	Very low	34	Very low	86 Å²	86	125.6 Å²	125.6	71%	0.711	74%	0.741	S	S	*	*			cis	-166.7	159.9	-29.6	0	0	0	0	0	110.2
177	P	38.7	Very low	34.1	Very low	114 Å²	114	125.3 Å²	125.3	74%	0.74	74%	0.739	S	S	*	*			trans	-117.9	173	-170.9	39.5	-28.1	0	0	0	116.2
178	L	30.2	Very low	34.3	Very low	150 Å²	150	126.8 Å²	126.8	79%	0.785	74%	0.741	S	S	*	*			trans	135	142.1	140.6	-76.5	156.9	0	0	0	117.9
179	K	30.2	Very low	34.9	Very low	170 Å²	170	125.8 Å²	125.8	74%	0.739	74%	0.737	S	S	*	*			trans	81	112.5	140.4	-84	176.5	177.6	-176.1	0	123.2
180	N	30.4	Very low	35	Very low	129 Å²	129	128.9 Å²	128.9	69%	0.69	74%	0.739	S	S	*	*				82.1	155.3	117.9	-87.9	55.6	0	0	0	124.1
181	D	33.4	Very low	34.9	Very low	129 Å²	129	124.3 Å²	124.3	69%	0.69	73%	0.727	S	S	*	*			trans	71.8	153.4	157.5	-54.1	-18.5	0	0	0	119.3
182	I	31.2	Very low	35	Very low	141 Å²	141	127.1 Å²	127.1	72%	0.723	73%	0.729	S	S	*	*			cis	-166.6	142.5	-46.9	-113.9	165.7	0	0	0	109.5
183	S	32.1	Very low	34.9	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	73%	0.728	S	S	*	*			trans	50.2	129.4	160	70	0	0	0	0	124.3
184	S	35.5	Very low	35	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	73%	0.727	S	S	*	*				171.3	128.6	124.8	35.3	0	0	0	0	109.7
185	I	32.4	Very low	34.9	Very low	164 Å²	164	133.7 Å²	133.7	84%	0.841	73%	0.73	S	S	*	*				73.5	123.1	62.3	-62.1	165.1	0	0	0	111.4
186	S	33.9	Very low	34.8	Very low	107 Å²	107	131 Å²	131	75%	0.748	73%	0.727	S	S	*	*			cis	-133	-152.7	7.9	57.8	0	0	0	0	110.5
187	S	37.7	Very low	35	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	73%	0.732	S	S	*	*			cis	-157.9	167.3	1.1	6.1	0	0	0	0	108
188	H	36.3	Very low	34.9	Very low	180 Å²	180	134.3 Å²	134.3	83%	0.833	73%	0.732	S	S	*	*			cis	93.4	143.8	22.1	-88.5	40	0	0	0	117.3
189	P	46.7	Very low	35.7	Very low	90 Å²	90	132.6 Å²	132.6	58%	0.584	73%	0.73	S	S	*	*			cis	-150.6	-156.6	-37.4	38.6	-15.5	0	0	0	115.6
190	H	37.9	Very low	36	Very low	166 Å²	166	129.7 Å²	129.7	77%	0.769	73%	0.731	S	S	*	*			trans	94.9	156.1	162.9	-64.4	-66.1	0	0	0	121.3
191	S	34.6	Very low	36.3	Very low	79 Å²	79	129.8 Å²	129.8	55%	0.552	74%	0.736	S	S	*	*				-175.9	172.5	-60.9	49.3	0	0	0	0	113.3
192	H	38.3	Very low	36	Very low	161 Å²	161	131.2 Å²	131.2	75%	0.745	74%	0.743	S	S	*	*			trans	88.8	133.3	178.9	-54	-70.9	0	0	0	116.2
193	Q	33.9	Very low	36.1	Very low	156 Å²	156	128.1 Å²	128.1	73%	0.729	75%	0.746	S	S	*	*			cis	107.7	109.5	18.1	-82.7	-174.8	-35.2	0	0	114.1
194	H	38.4	Very low	35.9	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.755	75%	0.749	S	S	*	*				178.2	140.3	117.8	-111.2	-98.3	0	0	0	115.2
195	N	32.2	Very low	35.8	Very low	128 Å²	128	131.9 Å²	131.9	68%	0.684	75%	0.753	S	S	*	*			trans	2.6	154.6	139	-60.1	6.5	0	0	0	120.2
196	T	33.5	Very low	35.6	Very low	131 Å²	131	133.1 Å²	133.1	80%	0.804	75%	0.752	S	S	*	*			cis	-166.4	167	6.6	9.5	0	0	0	0	113.1
197	L	36.9	Very low	35.7	Very low	156 Å²	156	133 Å²	133	82%	0.817	75%	0.749	S	S	*	*			trans	-61.4	170.5	163.8	-90.7	161.1	0	0	0	113.6
198	P	38.4	Very low	35.4	Very low	115 Å²	115	136.2 Å²	136.2	75%	0.747	76%	0.758	S	S	*	*				-152.6	-142	51.5	50.1	-25.8	0	0	0	115.8
199	P	46	Very low	35.2	Very low	113 Å²	113	134.8 Å²	134.8	73%	0.734	76%	0.757	S	S	*	*			trans	-135.2	-147.7	-131.1	39.1	-12	0	0	0	116
200	S	36.8	Very low	34.8	Very low	109 Å²	109	135 Å²	135	76%	0.762	76%	0.759	S	S	*	*			trans	90.8	157.5	173.5	87	0	0	0	0	116
201	T	35.7	Very low	34.4	Very low	131 Å²	131	131.4 Å²	131.4	80%	0.804	75%	0.752	S	S	*	*			cis	-138.7	160.8	12.4	-69.7	0	0	0	0	113.3
202	L	28.6	Very low	34.3	Very low	159 Å²	159	135 Å²	135	83%	0.832	77%	0.765	S	S	*	*			trans	-54.8	163.5	175.5	-124.4	68.8	0	0	0	116.9
203	G	33.4	Very low	33.8	Very low	77 Å²	77	131.4 Å²	131.4	79%	0.794	76%	0.763	S	S	*	*			trans	-165.1	44.2	175	0	0	0	0	0	115.9
204	T	26.8	Very low	33.7	Very low	119 Å²	119	129.8 Å²	129.8	73%	0.73	76%	0.763	S	S	*	*			trans	-86.5	122.3	-170.6	-45.5	0	0	0	0	114
205	I	32.8	Very low	33.1	Very low	168 Å²	168	129.5 Å²	129.5	86%	0.862	77%	0.767	S	S	*	*			trans	-133.9	130.1	158.7	-59.7	-176.9	0	0	0	111.1
206	K	28.2	Very low	33.1	Very low	189 Å²	189	127.8 Å²	127.8	82%	0.822	77%	0.771	S	S	*	*			trans	-135.6	169.2	167.9	-107.3	-171.3	178.2	-178.5	0	106
207	P	36.3	Very low	32.7	Very low	105 Å²	105	126.6 Å²	126.6	68%	0.682	77%	0.768	S	S	*	*			cis	-127.3	-169.8	-33.5	39.5	-24.7	0	0	0	110.1
208	N	32.3	Very low	32.3	Very low	165 Å²	165	125.1 Å²	125.1	88%	0.882	77%	0.766	S	S	*	*			trans	-159.6	153.7	140.7	-106.1	-22.5	0	0	0	113
209	N	31	Very low	31.7	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	77%	0.766	S	S	*	*			trans	-148	176.6	-175.8	-147.7	10.8	0	0	0	105.3
210	P	38.7	Very low	30.7	Very low	95 Å²	95	127.9 Å²	127.9	62%	0.617	77%	0.767	S	S	*	*			cis	-134.8	-152.1	-11.1	42	-22	0	0	0	112.9
211	S	29.3	Very low	30.3	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	78%	0.776	S	S	*	*			trans	72	104.6	149.5	60.4	0	0	0	0	121.3
212	N	32.4	Very low	29.8	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	78%	0.775	S	S	*	*				-179.7	128.1	101.4	-82.1	-28.6	0	0	0	108.3
213	A	28.3	Very low	29.9	Very low	85 Å²	85	129.3 Å²	129.3	70%	0.702	77%	0.773	S	S	*	*			cis	98	146.7	27.6	0	0	0	0	0	114.8
214	V	31.2	Very low	29.5	Very low	121 Å²	121	132.6 Å²	132.6	73%	0.733	77%	0.773	S	S	*	*			trans	92.1	95	166.1	-169.3	0	0	0	0	118.7
215	N	27.5	Very low	29.4	Very low	157 Å²	157	135.3 Å²	135.3	84%	0.84	78%	0.779	S	S	*	*			trans	60.1	163.1	134.8	-51.5	-4.8	0	0	0	119.9
216	A	30.6	Very low	29.1	Very low	93 Å²	93	132.8 Å²	132.8	77%	0.769	77%	0.772	S	S	*	*			cis	-141.2	154.2	4.6	0	0	0	0	0	113.3
217	S	25.8	Very low	28.9	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	77%	0.773	S	S	*	*			trans	-69.7	165.1	159.7	46.9	0	0	0	0	112.8
218	V	28.1	Very low	28.5	Very low	125 Å²	125	129.9 Å²	129.9	76%	0.758	78%	0.775	S	S	*	*				169.4	128.5	122.9	152.5	0	0	0	0	114.2
219	L	26.8	Very low	28.2	Very low	146 Å²	146	127.4 Å²	127.4	76%	0.764	77%	0.77	S	S	*	*			trans	46.1	124.6	152.8	-68.2	169.4	0	0	0	124.5
220	N	23.9	Very low	27.9	Very low	139 Å²	139	126.4 Å²	126.4	74%	0.743	76%	0.764	S	S	*	*				24.8	128.4	125.5	-62.8	3	0	0	0	121
221	Q	29.4	Very low	27.3	Very low	203 Å²	203	127 Å²	127	95%	0.949	77%	0.77	S	S	*	*				-157	165.3	107.2	-115.9	160	91.8	0	0	113.5
222	S	24.3	Very low	27.1	Very low	112 Å²	112	127.9 Å²	127.9	78%	0.783	77%	0.772	S	S	*	*			trans	-119.4	127.8	-164.3	55.6	0	0	0	0	113.8
223	S	30.3	Very low	26.8	Very low	114 Å²	114	124.2 Å²	124.2	80%	0.797	76%	0.757	S	S	*	*			trans	-163.4	109.4	160.1	50.4	0	0	0	0	108.9
224	N	25.2	Very low	26.7	Very low	147 Å²	147	123.2 Å²	123.2	79%	0.786	74%	0.742	S	S	*	*				85.3	120	74.8	-105.5	2.7	0	0	0	114.1
225	M	24.7	Very low	26.5	Very low	175 Å²	175	118.1 Å²	118.1	86%	0.862	71%	0.712	S	S	*	*			trans	69	144.4	167.2	-54.2	-178.1	175.3	0	0	115.4
226	T	26.8	Very low	26.6	Very low	116 Å²	116	112.7 Å²	112.7	71%	0.712	69%	0.686	S	S	*	*			cis	-132.6	152.8	4.5	46.8	0	0	0	0	111.7
227	P	24.4	Very low	26.5	Very low	132 Å²	132	110.2 Å²	110.2	86%	0.857	66%	0.661	S	S	*	*			trans	-76.5	139.4	166.5	33.1	-33.1	0	0	0	111.1
228	S	28	Very low	26.6	Very low	101 Å²	101	105.6 Å²	105.6	71%	0.706	63%	0.63	S	S	*	*			trans	-132.1	122.7	177.6	54.5	0	0	0	0	111.6
229	S	26.5	Very low	26.7	Very low	113 Å²	113	103 Å²	103	79%	0.79	61%	0.611	S	S	*	*			trans	46.3	107	164.1	54.5	0	0	0	0	118	S231	S229-S231 PolarHBondContact O-N 2.67Å
230	L	23.9	Very low	26.7	Very low	130 Å²	130	99 Å²	99	68%	0.681	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-67.5	127.7	154.5	-68.9	78.2	0	0	0	108.8	P86	P86-L230 HydrophobicContact CG-CD2 3.52Å
231	S	25.7	Very low	26.9	Very low	107 Å²	107	97.7 Å²	97.7	75%	0.748	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-92	144.2	161.1	45.6	0	0	0	0	109.8	S229	S229-S231 PolarHBondContact O-N 2.67Å
232	T	25.6	Very low	26.7	Very low	109 Å²	109	92.4 Å²	92.4	67%	0.669	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-73.9	145.5	171.6	45.5	0	0	0	0	110.8	V234	T232-V234 WeakPolarHBondContact O-CG2 3.31Å; T232-V234 PolarHBondContact O-N 2.81Å
233	P	25.4	Very low	26.9	Very low	78 Å²	78	94.6 Å²	94.6	51%	0.506	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-65.9	131.1	179.5	29.4	-36.7	0	0	0	111.1	E526	P233-E526 WeakPolarHBondContact CB-OE1 3.32Å
234	V	27	Very low	26.7	Very low	63 Å²	63	92.3 Å²	92.3	38%	0.382	56%	0.558	S	S	.	*			trans	-110.3	60.6	-175	-166.8	0	0	0	0	110.5	T232 S236 L239	T232-V234 WeakPolarHBondContact O-CG2 3.31Å; T232-V234 PolarHBondContact O-N 2.81Å; V234-S236 PolarHBondContact O-N 3.26Å; V234-S236 PolarHBondContact O-OG 3.27Å; V234-L239 HydrophobicContact CB-CD1 4.36Å; V234-L239 HydrophobicContact CG1-CD1 3.87Å
235	C	26.8	Very low	27	Very low	15 Å²	15	91 Å²	91	10%	0.101	56%	0.558	C	S	.	*			trans	-49.7	103.2	179.9	-61.5	0	0	0	0	112.2	V237 L239 L487	C235-V237 PolarHBondContact O-N 3.34Å; C235-L239 HydrophobicContact CB-CD1 4.48Å; C235-L487 HydrophobicContact CB-CD2 4.2Å
236	S	28.4	Very low	27.1	Very low	42 Å²	42	90.4 Å²	90.4	29%	0.294	56%	0.557	S	S	.	*	S	Bend	trans	-77.6	31.9	-178.4	-69	0	0	0	0	114.1	V234 Y570	V234-S236 PolarHBondContact O-N 3.26Å; V234-S236 PolarHBondContact O-OG 3.27Å; S236-Y570 WeakPolarHBondContact OG-CD1 3.23Å
237	V	30.1	Very low	27.2	Very low	41 Å²	41	91.5 Å²	91.5	25%	0.248	56%	0.563	C	S	.	*	S	Bend	trans	-140.2	98.2	162.2	-156.3	0	0	0	0	107.8	C235 F445	C235-V237 PolarHBondContact O-N 3.34Å; V237-F445 HydrophobicContact CB-CB 4.36Å; V237-F445 WeakPolarHBondContact CG1-O 3.41Å; V237-F445 WeakPolarHBondContact O-CD1 3.35Å
238	A	27.2	Very low	27.4	Very low	10 Å²	10	89.7 Å²	89.7	8%	0.083	56%	0.56	C	S	.	*	S	Bend	trans	70	79.5	-175.4	0	0	0	0	0	117.7	T404 Y420	A238-T404 HydrophobicContact CB-CG2 3.55Å; A238-Y420 HydrophobicContact CB-CD2 4.36Å
239	L	29.8	Very low	27.4	Very low	70 Å²	70	90 Å²	90	37%	0.366	56%	0.561	S	S	.	*			trans	-123.6	134.7	151.4	-74.1	172.5	0	0	0	106.8	V234 C235	V234-L239 HydrophobicContact CB-CD1 4.36Å; V234-L239 HydrophobicContact CG1-CD1 3.87Å; C235-L239 HydrophobicContact CB-CD1 4.48Å
240	I	28	Very low	27.4	Very low	61 Å²	61	92.5 Å²	92.5	31%	0.313	57%	0.566	S	S	.	*			cis	68.4	113.1	19.1	-46.5	-175.4	0	0	0	114.9	Y420	I240-Y420 HydrophobicContact CD1-CD2 3.99Å; I240-Y420 HydrophobicContact CD1-CE1 4.29Å; I240-Y420 HydrophobicContact CD1-CE2 3.58Å
241	S	26.6	Very low	27.7	Very low	112 Å²	112	91.5 Å²	91.5	78%	0.783	57%	0.566	S	S	*	*			trans	89.3	131.7	173.3	77.2	0	0	0	0	117.8
242	T	25.2	Very low	27.9	Very low	92 Å²	92	92.6 Å²	92.6	56%	0.564	57%	0.568	S	S	*	*			trans	-84.6	127.1	-166	48.1	0	0	0	0	113.6
243	I	28.6	Very low	28.2	Very low	159 Å²	159	92.7 Å²	92.7	82%	0.815	57%	0.57	S	S	*	*			trans	-135	111.5	161.5	-57.9	-178.2	0	0	0	109.7
244	S	27.2	Very low	28.5	Very low	65 Å²	65	96.9 Å²	96.9	46%	0.455	59%	0.587	S	S	.	*			trans	-84.3	131.1	174.7	-55.1	0	0	0	0	110.8	I246	S244-I246 PolarHBondContact O-N 3.13Å
245	P	30	Very low	28.8	Very low	119 Å²	119	100.4 Å²	100.4	77%	0.773	61%	0.609	S	S	*	*			trans	-76.5	110.3	-179.9	29.1	-33.7	0	0	0	112.1	T247	P245-T247 PolarHBondContact O-N 2.93Å
246	I	27.5	Very low	29	Very low	164 Å²	164	102.6 Å²	102.6	84%	0.841	63%	0.634	S	S	*	*			trans	-94.1	93.4	175.7	-55	178.5	0	0	0	110.3	S244	S244-I246 PolarHBondContact O-N 3.13Å
247	T	29.3	Very low	29.3	Very low	138 Å²	138	108.1 Å²	108.1	85%	0.847	66%	0.659	S	S	*	*			trans	-137.9	116.6	161.3	-30.4	0	0	0	0	112	P245	P245-T247 PolarHBondContact O-N 2.93Å
248	A	27.7	Very low	29.4	Very low	95 Å²	95	112.6 Å²	112.6	79%	0.785	68%	0.681	S	S	*	*			trans	-50.5	132.4	-167.9	0	0	0	0	0	117.4
249	S	29.5	Very low	29.8	Very low	106 Å²	106	120 Å²	120	74%	0.741	71%	0.712	S	S	*	*			trans	-93.6	102.7	164.9	50.8	0	0	0	0	111.8	T251	S249-T251 PolarHBondContact O-N 3.3Å
250	N	26.1	Very low	30.1	Very low	166 Å²	166	123.4 Å²	123.4	89%	0.888	73%	0.729	S	S	*	*			trans	-70.2	113.9	169.3	-86.1	-29.9	0	0	0	110.3
251	T	28.9	Very low	30.4	Very low	110 Å²	110	126.5 Å²	126.5	68%	0.675	75%	0.75	S	S	*	*			trans	-143.2	157.2	174.5	56.1	0	0	0	0	114.4	S249	S249-T251 PolarHBondContact O-N 3.3Å
252	T	30.6	Very low	30.8	Very low	130 Å²	130	125.8 Å²	125.8	80%	0.798	75%	0.751	S	S	*	*			trans	79.6	160.3	166.7	81.9	0	0	0	0	117.2
253	P	33	Very low	31.3	Very low	110 Å²	110	126 Å²	126	71%	0.714	76%	0.762	S	S	*	*			cis	-129.8	156.6	-1.3	37.1	-20.5	0	0	0	117
254	L	30.8	Very low	31.7	Very low	166 Å²	166	122.7 Å²	122.7	87%	0.869	75%	0.753	S	S	*	*			trans	-136.6	114.5	151.4	-83.2	161.5	0	0	0	105.1
255	V	33	Very low	32.1	Very low	137 Å²	137	127.1 Å²	127.1	83%	0.83	77%	0.767	S	S	*	*				55.2	116.7	77.8	-176.3	0	0	0	0	111.4
256	G	31.1	Very low	32.4	Very low	62 Å²	62	128.8 Å²	128.8	64%	0.639	76%	0.764	S	S	*	*			cis	175.6	-150.4	2.1	0	0	0	0	0	110.8
257	I	34.4	Very low	32.7	Very low	157 Å²	157	125.8 Å²	125.8	81%	0.805	76%	0.758	S	S	*	*			trans	78.8	102.7	173.7	-51.9	174	0	0	0	113.3
258	N	33	Very low	32.9	Very low	135 Å²	135	123.5 Å²	123.5	72%	0.722	75%	0.748	S	S	*	*				69.1	140	81	-72.5	-46.3	0	0	0	114.1
259	K	35.5	Very low	33.2	Very low	167 Å²	167	126.7 Å²	126.7	73%	0.726	75%	0.75	S	S	*	*			cis	-171.1	165.1	17.3	-127.3	171.4	180	-178.8	0	112.1
260	I	35.5	Very low	33.4	Very low	141 Å²	141	125.4 Å²	125.4	72%	0.723	75%	0.746	S	S	*	*			trans	71	154.7	148.2	-74.6	163.3	0	0	0	118.9
261	T	33.7	Very low	33.7	Very low	125 Å²	125	123.6 Å²	123.6	77%	0.767	75%	0.746	S	S	*	*				177.3	129.9	-64.9	34.2	0	0	0	0	110.7
262	A	35.8	Very low	34	Very low	97 Å²	97	122 Å²	122	80%	0.802	75%	0.752	S	S	*	*			trans	163	133.7	157.5	0	0	0	0	0	108.4
263	A	35.8	Very low	34	Very low	96 Å²	96	124.7 Å²	124.7	79%	0.793	76%	0.755	S	S	*	*			cis	81.8	131.9	45.6	0	0	0	0	0	113.6
264	S	36.6	Very low	34	Very low	90 Å²	90	126.5 Å²	126.5	63%	0.629	76%	0.758	S	S	*	*			cis	-176.1	168.9	-4.1	53.1	0	0	0	0	112.9
265	Q	36.2	Very low	34.2	Very low	158 Å²	158	124.6 Å²	124.6	74%	0.738	75%	0.754	S	S	*	*			trans	72.3	153.6	154.8	-71.1	169	13.8	0	0	118
266	Q	35.6	Very low	34.1	Very low	154 Å²	154	123.1 Å²	123.1	72%	0.72	75%	0.745	S	S	*	*			cis	-165	155.2	-12	-124	166.5	0.3	0	0	113.2
267	S	34.4	Very low	34.2	Very low	101 Å²	101	127.8 Å²	127.8	71%	0.706	75%	0.75	S	S	*	*			trans	33	153.7	143.4	62.4	0	0	0	0	124.2
268	S	33.2	Very low	34.1	Very low	90 Å²	90	128.3 Å²	128.3	63%	0.629	75%	0.749	S	S	*	*			cis	173.2	167.2	-14.5	59	0	0	0	0	111.2
269	I	34.1	Very low	33.8	Very low	162 Å²	162	129.5 Å²	129.5	83%	0.831	75%	0.753	S	S	*	*			trans	74.3	140.9	157.3	-67.1	162.5	0	0	0	115.5
270	A	33.4	Very low	33.6	Very low	80 Å²	80	126.5 Å²	126.5	66%	0.661	75%	0.751	S	S	*	*			cis	-153.6	160.8	4.9	0	0	0	0	0	115.4
271	S	33.7	Very low	33.3	Very low	128 Å²	128	128.7 Å²	128.7	90%	0.895	76%	0.758	S	S	*	*			trans	58.7	122.5	140.5	-56.6	0	0	0	0	124
272	G	34.1	Very low	33.2	Very low	77 Å²	77	127.6 Å²	127.6	79%	0.794	76%	0.755	S	S	*	*			trans	172.1	98.5	160.3	0	0	0	0	0	116.4
273	Q	32.1	Very low	32.9	Very low	185 Å²	185	131.7 Å²	131.7	86%	0.864	76%	0.76	S	S	*	*			trans	-34.1	143.1	168.1	-78	170.1	-17.7	0	0	116
274	L	32.4	Very low	32.4	Very low	149 Å²	149	135 Å²	135	78%	0.78	76%	0.764	S	S	*	*			cis	-137	-152	12	-86.1	125.2	0	0	0	110.1
275	T	33.7	Very low	32.1	Very low	126 Å²	126	139.2 Å²	139.2	77%	0.773	78%	0.778	S	S	*	*			cis	-157.3	-159.9	12.9	-28.2	0	0	0	0	111.9
276	T	31.4	Very low	31.7	Very low	106 Å²	106	136.6 Å²	136.6	65%	0.65	78%	0.778	S	S	*	*			trans	-93.4	163.6	-178.4	53.1	0	0	0	0	112.4
277	H	33.9	Very low	31.4	Very low	160 Å²	160	134.7 Å²	134.7	74%	0.741	78%	0.781	S	S	*	*			cis	-139.2	139.1	21.7	-94.7	-95.3	0	0	0	114.9
278	H	31.2	Very low	31.1	Very low	168 Å²	168	137.8 Å²	137.8	78%	0.778	79%	0.788	S	S	*	*			trans	25.6	127.3	150.3	-69.4	-87.6	0	0	0	125.4
279	I	26.7	Very low	30.8	Very low	159 Å²	159	141.8 Å²	141.8	82%	0.815	80%	0.797	S	S	*	*			trans	-142.7	138.2	146.1	-58	175.8	0	0	0	108.8
280	P	32.9	Very low	30.7	Very low	104 Å²	104	140.5 Å²	140.5	68%	0.675	80%	0.797	S	S	*	*			trans	-107	138.9	160.9	37.7	-28.6	0	0	0	110.9
281	Q	29.5	Very low	30.4	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	81%	0.805	S	S	*	*				54	131.8	64.3	-70.7	-165.8	-10.4	0	0	113.9
282	S	29.8	Very low	30.2	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	80%	0.801	S	S	*	*			cis	-156.2	173.8	-0.4	61.8	0	0	0	0	109.4
283	M	29.7	Very low	29.8	Very low	183 Å²	183	146 Å²	146	90%	0.901	80%	0.8	S	S	*	*				-165.6	161.5	78.6	-83.8	-163.2	-74.6	0	0	112.8
284	L	26.2	Very low	30	Very low	167 Å²	167	144.7 Å²	144.7	87%	0.874	79%	0.794	S	S	*	*			trans	-123	142.7	173.2	-94.4	159.2	0	0	0	109.5
285	L	29.3	Very low	30	Very low	177 Å²	177	145.7 Å²	145.7	93%	0.927	79%	0.794	S	S	*	*			trans	-157.3	169.5	149.3	-137.4	70.4	0	0	0	112
286	S	28.1	Very low	29.8	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	80%	0.799	S	S	*	*			trans	-119.7	162.9	-152.9	55.9	0	0	0	0	116.6
287	S	29.2	Very low	29.7	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	81%	0.805	S	S	*	*			trans	-48.8	148.4	178.7	47.6	0	0	0	0	118.4
288	I	29.5	Very low	29.4	Very low	166 Å²	166	139.4 Å²	139.4	85%	0.851	81%	0.809	S	S	*	*			trans	-136.7	143.8	154.3	-63	-177	0	0	0	108.5
289	Q	26.5	Very low	29.4	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.813	81%	0.812	S	S	*	*			trans	-111.8	151.6	171.6	-65.4	177.3	-77.4	0	0	111
290	T	30.9	Very low	29.4	Very low	136 Å²	136	137.3 Å²	137.3	83%	0.834	81%	0.807	S	S	*	*			trans	-143.7	132.4	159.1	50.9	0	0	0	0	110.3
291	N	26.9	Very low	29.3	Very low	156 Å²	156	139.7 Å²	139.7	83%	0.834	81%	0.814	S	S	*	*			trans	-94.2	157	175.4	-69.7	-5.5	0	0	0	111.5
292	G	30.5	Very low	29.4	Very low	79 Å²	79	138.3 Å²	138.3	81%	0.814	81%	0.807	S	S	*	*			trans	-159	106	168.5	0	0	0	0	0	111.2
293	E	26.5	Very low	29.5	Very low	166 Å²	166	144.7 Å²	144.7	78%	0.776	82%	0.818	S	S	*	*			trans	-95.9	152.8	175.7	-57	179.9	128.7	0	0	110.6
294	H	34.7	Very low	29.4	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.727	82%	0.815	S	S	*	*				179.7	120.2	122.4	-92.2	-55.9	0	0	0	114.3
295	H	32.4	Very low	29.7	Very low	169 Å²	169	142.3 Å²	142.3	78%	0.782	81%	0.811	S	S	*	*			trans	36.6	129.7	141.3	-50.2	-30.3	0	0	0	124.2
296	G	30.6	Very low	29.8	Very low	85 Å²	85	140.5 Å²	140.5	88%	0.876	80%	0.802	S	S	*	*			trans	93.8	146.7	137.8	0	0	0	0	0	116.2
297	G	29.5	Very low	30.1	Very low	76 Å²	76	143.9 Å²	143.9	78%	0.784	81%	0.812	S	S	*	*			cis	-170.7	157.4	-3.5	0	0	0	0	0	110.2
298	A	26.4	Very low	30.1	Very low	99 Å²	99	143 Å²	143	82%	0.818	81%	0.812	S	S	*	*			trans	-68.9	152.2	-169.6	0	0	0	0	0	114.7
299	I	31.2	Very low	30.3	Very low	167 Å²	167	143.9 Å²	143.9	86%	0.856	82%	0.815	S	S	*	*			trans	-156.2	144.1	140.4	-102.7	150.3	0	0	0	109.5
300	V	26.6	Very low	30.4	Very low	116 Å²	116	145 Å²	145	70%	0.703	82%	0.82	S	S	*	*			trans	-88.5	149.5	178.4	172.9	0	0	0	0	109.9
301	N	31.6	Very low	30.7	Very low	155 Å²	155	144.5 Å²	144.5	83%	0.829	82%	0.816	S	S	*	*			trans	-139.7	134.2	154.2	-114.5	-26.6	0	0	0	111.9
302	H	30.7	Very low	30.9	Very low	158 Å²	158	144.5 Å²	144.5	73%	0.731	82%	0.816	S	S	*	*			trans	-81.2	144	172.2	-74.8	-83.6	0	0	0	110.3
303	Y	31.9	Very low	30.9	Very low	235 Å²	235	152.2 Å²	152.2	92%	0.922	82%	0.821	S	S	*	*			trans	-122.8	135.4	142.5	-98.3	-91.2	0	0	0	109.5
304	R	27.9	Very low	31.3	Very low	224 Å²	224	150.3 Å²	150.3	85%	0.845	82%	0.82	S	S	*	*			trans	-137.4	99.9	-177.2	-174.9	-173.2	-169.5	-175.3	5.8	107.4
305	G	32.8	Very low	31	Very low	77 Å²	77	150.9 Å²	150.9	79%	0.794	82%	0.823	S	S	*	*			trans	-123.2	116.2	172.2	0	0	0	0	0	108.3
306	N	31.5	Very low	31.1	Very low	138 Å²	138	148.8 Å²	148.8	74%	0.738	82%	0.822	S	S	*	*			trans	-81.4	141.5	165.4	-62.5	-4.3	0	0	0	107.5
307	D	34.4	Very low	31.2	Very low	175 Å²	175	149 Å²	149	94%	0.936	81%	0.807	S	S	*	*				-148.2	154.3	126.6	-105.5	-37	0	0	0	109.1
308	A	29.6	Very low	31.1	Very low	95 Å²	95	153.9 Å²	153.9	79%	0.785	81%	0.81	S	S	*	*			trans	-113.6	129	-166.4	0	0	0	0	0	112.1
309	M	34	Very low	31.5	Very low	185 Å²	185	154 Å²	154	91%	0.911	80%	0.8	S	S	*	*			trans	-124.8	124.1	150.5	-79.4	-166	168.1	0	0	109.2
310	E	27.7	Very low	31.3	Very low	198 Å²	198	152.2 Å²	152.2	93%	0.925	79%	0.792	S	S	*	*			trans	-84.2	119.9	178.6	-174.7	166.7	-154	0	0	108.3
311	V	37.4	Very low	31.6	Very low	125 Å²	125	153.4 Å²	153.4	76%	0.758	80%	0.795	S	S	*	*			trans	-123.6	131.4	176.7	-177.9	0	0	0	0	107.8	R313	V311-R313 PolarHBondContact O-N 2.96Å
312	D	31.7	Very low	31.5	Very low	155 Å²	155	152.2 Å²	152.2	83%	0.829	79%	0.793	S	S	*	*			trans	-54.3	119.3	-168.3	-86.4	-60	0	0	0	113.6	V314	D312-V314 VanDerWaalsContact C-N 3.28Å; D312-V314 PolarHBondContact O-N 2.89Å
313	R	30.1	Very low	31.5	Very low	242 Å²	242	149.3 Å²	149.3	91%	0.913	79%	0.791	S	S	*	*			trans	-74.8	83.9	166.7	-74.3	-177.3	171.4	-178.7	-2.8	109.4	V311 H315	V311-R313 PolarHBondContact O-N 2.96Å; R313-H315 PolarHBondContact O-N 2.82Å
314	V	34.8	Very low	31.5	Very low	126 Å²	126	143.9 Å²	143.9	76%	0.764	78%	0.784	S	S	*	*			trans	-52.4	115.5	167.1	178.7	0	0	0	0	108.4	D312 V316	D312-V314 VanDerWaalsContact C-N 3.28Å; D312-V314 PolarHBondContact O-N 2.89Å; V314-V316 PolarHBondContact O-N 2.72Å
315	H	28.8	Very low	32.1	Very low	169 Å²	169	139.6 Å²	139.6	78%	0.782	78%	0.778	S	S	*	*			trans	-73.2	99.3	-170.2	-169.5	83.2	0	0	0	110.1	R313 P317	R313-H315 PolarHBondContact O-N 2.82Å; H315-P317 VanDerWaalsContact O-CD 3.26Å; H315-P317 WeakPolarHBondContact O-CD 3.47Å
316	V	34.7	Very low	32.7	Very low	125 Å²	125	143.4 Å²	143.4	76%	0.758	78%	0.779	S	S	*	*			trans	-65.7	115.9	173.6	-179.2	0	0	0	0	108.4	V314 E318	V314-V316 PolarHBondContact O-N 2.72Å; V316-E318 PolarHBondContact O-N 2.86Å
317	P	31.1	Very low	34	Very low	88 Å²	88	140.7 Å²	140.7	57%	0.571	77%	0.767	S	S	*	*			trans	-73	120.6	177.8	29.8	-32.6	0	0	0	109.3	H315 V319	H315-P317 VanDerWaalsContact O-CD 3.26Å; H315-P317 WeakPolarHBondContact O-CD 3.47Å; P317-V319 HydrophobicContact CB-CG2 4.04Å; P317-V319 HydrophobicContact CG-CG2 4.24Å; P317-V319 PolarHBondContact O-N 2.61Å
318	E	27.3	Very low	35.9	Very low	180 Å²	180	137.7 Å²	137.7	84%	0.841	74%	0.743	S	S	*	*			trans	-75.5	73.4	177.8	-166.4	175.2	-139.6	0	0	110.5	V316 N320	V316-E318 PolarHBondContact O-N 2.86Å; E318-N320 VanDerWaalsContact C-N 3.32Å; E318-N320 PolarHBondContact O-N 2.85Å
319	V	35	Very low	38.9	Very low	100 Å²	100	140 Å²	140	61%	0.606	74%	0.737	S	S	*	*			trans	-74.9	83.7	-175.6	-174.2	0	0	0	0	110.7	P317 N321	P317-V319 HydrophobicContact CB-CG2 4.04Å; P317-V319 HydrophobicContact CG-CG2 4.24Å; P317-V319 PolarHBondContact O-N 2.61Å; V319-N321 HydrophobicContact CG1-CB 4.04Å; V319-N321 WeakPolarHBondContact CG1-ND2 3.32Å; V319-N321 PolarHBondContact O-N 3Å
320	N	27.8	Very low	41.7	Very low	131 Å²	131	131.3 Å²	131.3	70%	0.701	70%	0.695	S	S	*	*			trans	-66.5	69.3	165.5	-93.2	-55.9	0	0	0	111.5	E318 T322	E318-N320 VanDerWaalsContact C-N 3.32Å; E318-N320 PolarHBondContact O-N 2.85Å; N320-T322 PolarHBondContact O-N 3.29Å
321	N	32.2	Very low	44.8	Very low	141 Å²	141	123.1 Å²	123.1	75%	0.754	66%	0.659	S	S	*	*			trans	-91.9	91.3	170.5	-94.4	-20.3	0	0	0	110.3	V319 S323	V319-N321 HydrophobicContact CG1-CB 4.04Å; V319-N321 WeakPolarHBondContact CG1-ND2 3.32Å; V319-N321 PolarHBondContact O-N 3Å; N321-S323 PolarHBondContact O-N 2.97Å
322	T	30.4	Very low	47.4	Very low	129 Å²	129	122.4 Å²	122.4	79%	0.791	66%	0.657	S	S	*	*			trans	-70.1	93.6	176.9	50.6	0	0	0	0	111.5	N320	N320-T322 PolarHBondContact O-N 3.29Å
323	S	30.6	Very low	50.2	Low	98 Å²	98	121.6 Å²	121.6	69%	0.685	65%	0.648	S	S	*	*			trans	-154.9	106	162.5	-79.1	0	0	0	0	109.6	N321 L325	N321-S323 PolarHBondContact O-N 2.97Å; S323-L325 VanDerWaalsContact C-N 3.32Å; S323-L325 PolarHBondContact O-N 2.8Å
324	P	32.6	Very low	53.2	Low	120 Å²	120	112.6 Å²	112.6	78%	0.779	61%	0.614	S	S	*	*			trans	-74.6	86.6	178.2	31	-33.6	0	0	0	109.7	L326	P324-L326 PolarHBondContact O-N 3.18Å
325	L	40.1	Very low	56	Low	135 Å²	135	108.3 Å²	108.3	71%	0.707	59%	0.587	S	S	*	*			trans	-59.8	107.7	155.3	-74.3	172.8	0	0	0	106.5	S323 T327	S323-L325 VanDerWaalsContact C-N 3.32Å; S323-L325 PolarHBondContact O-N 2.8Å; L325-T327 PolarHBondContact O-N 3.01Å
326	L	45.7	Very low	59.1	Low	156 Å²	156	102.1 Å²	102.1	82%	0.817	56%	0.561	S	S	*	*			trans	-55.3	114.1	-175.1	-79.5	81.2	0	0	0	109.2	P324 R328	P324-L326 PolarHBondContact O-N 3.18Å; L326-R328 PolarHBondContact O-N 3.2Å
327	T	57.7	Low	61.9	Low	82 Å²	82	99 Å²	99	50%	0.503	54%	0.541	S	S	.	.			trans	-60	101.9	168.1	-59.7	0	0	0	0	107.5	L325 Q329 L651	L325-T327 PolarHBondContact O-N 3.01Å; T327-Q329 PolarHBondContact O-N 2.96Å; T327-L651 HydrophobicContact CG2-CD2 3.55Å; T327-L651 HydrophobicContact CG2-CG 4.13Å
328	R	75.2	Confident	65	Low	112 Å²	112	95 Å²	95	42%	0.423	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	98	-168.6	-162	174.6	-171	-154.4	0.8	109.3	L326 I330 N653 S654	L326-R328 PolarHBondContact O-N 3.2Å; R328-I330 PolarHBondContact O-N 3.21Å; R328-N653 VanDerWaalsContact O-CA 3.3Å; R328-N653 WeakPolarHBondContact O-CA 3.25Å; R328-N653 PolarHBondContact O-ND2 2.87Å; R328-S654 PolarHBondContact O-N 3.46Å
329	Q	91.3	Very high	68	Low	142 Å²	142	93.3 Å²	93.3	66%	0.664	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.2	131.1	162.6	-171.3	175.9	10.4	0	0	108.3	T327 S654	T327-Q329 PolarHBondContact O-N 2.96Å; Q329-S654 CarbonylContact C-O 3.58Å; Q329-S654 VanDerWaalsContact CA-O 3.32Å; Q329-S654 WeakPolarHBondContact CA-O 3.42Å
330	I	93.1	Very high	70.8	Confident	3 Å²	3	90 Å²	90	2%	0.015	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-64.1	124.4	176.5	-60.6	178.8	0	0	0	106.4	R328 R334 I335 N653 S654 L685 L687	R328-I330 PolarHBondContact O-N 3.21Å; I330-R334 HydrophobicContact CG2-CB 3.89Å; I330-I335 HydrophobicContact CB-CD1 4.29Å; I330-I335 HydrophobicContact CB-CG1 4.33Å; I330-I335 HydrophobicContact CG2-CD1 4.2Å; I330-I335 HydrophobicContact CG2-CG1 3.75Å; I330-I335 WeakPolarHBondContact O-CD1 3.38Å; I330-N653 HydrophobicContact CD1-CB 4.16Å; I330-N653 HydrophobicContact CG1-CB 3.86Å; I330-S654 PolarHBondContact N-O 2.59Å; I330-L685 HydrophobicContact CD1-CB 3.94Å; I330-L685 HydrophobicContact CD1-CD1 4.04Å; I330-L685 HydrophobicContact CD1-CD2 4.21Å; I330-L685 HydrophobicContact CD1-CG 4.29Å; I330-L687 HydrophobicContact CD1-CD2 3.63Å; I330-L687 HydrophobicContact CG1-CD2 4.38Å
331	P	92.7	Very high	74	Confident	27 Å²	27	84.6 Å²	84.6	18%	0.175	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-75.4	151.2	-172.2	34.8	-39.3	0	0	0	110.3	E333 R334	P331-E333 WeakPolarHBondContact CB-OE1 3.37Å; P331-E333 WeakPolarHBondContact CB-OE2 3.4Å; P331-E333 WeakPolarHBondContact CG-OE1 3.22Å; P331-E333 PolarHBondContact O-N 2.95Å; P331-E333 VanDerWaalsContact O-N 3.08Å; P331-R334 HydrophobicContact CG-CB 4.4Å; P331-R334 HydrophobicContact CG-CG 4.07Å; P331-R334 PolarHBondContact O-N 3.29Å
332	P	91.9	Very high	77	Confident	110 Å²	110	86.2 Å²	86.2	71%	0.714	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-56.6	-31	-168.5	-28.6	36.6	0	0	0	115.3	R334 I335	P332-R334 PolarHBondContact O-N 3.1Å; P332-R334 VanDerWaalsContact O-N 3.08Å; P332-I335 PolarHBondContact O-N 3.05Å
333	E	90.9	Very high	80	Confident	138 Å²	138	81.5 Å²	81.5	65%	0.645	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-70.4	-0.3	178.2	79.1	-68.5	165	0	0	114.5	P331	P331-E333 WeakPolarHBondContact CB-OE1 3.37Å; P331-E333 WeakPolarHBondContact CB-OE2 3.4Å; P331-E333 WeakPolarHBondContact CG-OE1 3.22Å; P331-E333 PolarHBondContact O-N 2.95Å; P331-E333 VanDerWaalsContact O-N 3.08Å
334	R	92.5	Very high	83.1	Confident	52 Å²	52	80.8 Å²	80.8	20%	0.196	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-119.4	12.5	178.7	-60.4	178.7	-151.5	-154.3	-8.6	112.8	I330 P331 P332 D686 R688 R689	I330-R334 HydrophobicContact CG2-CB 3.89Å; P331-R334 HydrophobicContact CG-CB 4.4Å; P331-R334 HydrophobicContact CG-CG 4.07Å; P331-R334 PolarHBondContact O-N 3.29Å; P332-R334 PolarHBondContact O-N 3.1Å; P332-R334 VanDerWaalsContact O-N 3.08Å; R334-D686 HydrophobicContact CB-CB 4.07Å; R334-D686 PolarHBondContact O-N 2.88Å; R334-R688 PolarHBondContact NH1-O 3.19Å; R334-R689 VanDerWaalsContact CZ-OXT 3.27Å; R334-R689 PolarHBondContact NH1-OXT 3.44Å; R334-R689 PolarHBondContact NH2-OXT 3.03Å
335	I	94.4	Very high	86.3	Confident	37 Å²	37	75 Å²	75	19%	0.19	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	105.8	-178.7	-59.6	168.1	0	0	0	108.2	I330 P332 V337 Y655 V683 L685	I330-I335 HydrophobicContact CB-CD1 4.29Å; I330-I335 HydrophobicContact CB-CG1 4.33Å; I330-I335 HydrophobicContact CG2-CD1 4.2Å; I330-I335 HydrophobicContact CG2-CG1 3.75Å; I330-I335 WeakPolarHBondContact O-CD1 3.38Å; P332-I335 PolarHBondContact O-N 3.05Å; I335-V337 HydrophobicContact CG2-CG2 4.07Å; I335-Y655 HydrophobicContact CD1-CD2 3.59Å; I335-Y655 HydrophobicContact CD1-CE2 3.87Å; I335-Y655 HydrophobicContact CG1-CD2 4.2Å; I335-Y655 HydrophobicContact CG1-CE2 4.43Å; I335-Y655 HydrophobicContact CG2-CD2 4.22Å; I335-Y655 HydrophobicContact CG2-CE2 3.67Å; I335-V683 HydrophobicContact CG2-CG1 3.78Å; I335-L685 HydrophobicContact CG1-CD2 3.96Å; I335-L685 HydrophobicContact CG2-CD2 4.2Å
336	T	93.8	Very high	88.9	Confident	39 Å²	39	69.5 Å²	69.5	24%	0.239	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.9	173.9	-56.8	0	0	0	0	108.8	L338 V381 V684	T336-L338 HydrophobicContact CG2-CD2 3.76Å; T336-V381 HydrophobicContact CG2-CG2 3.9Å; T336-V684 PolarHBondContact N-O 3.48Å; T336-V684 PolarHBondContact O-N 3.42Å
337	V	94.6	Very high	91.4	Very high	58 Å²	58	63 Å²	63	35%	0.352	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.2	175.1	-175.4	0	0	0	0	109.2	I335 K339 V683	I335-V337 HydrophobicContact CG2-CG2 4.07Å; V337-K339 HydrophobicContact CG1-CG 4.14Å; V337-V683 HydrophobicContact CG1-CG2 4.49Å; V337-V683 HydrophobicContact CG2-CG1 4.47Å; V337-V683 HydrophobicContact CG2-CG2 4.4Å
338	L	94.9	Very high	93.3	Very high	5 Å²	5	59 Å²	59	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.4	175.3	-48.3	174.8	0	0	0	108.7	T336 L357 W369 L371 V381 V682 V684	T336-L338 HydrophobicContact CG2-CD2 3.76Å; L338-L357 HydrophobicContact CD1-CD2 4.21Å; L338-W369 HydrophobicContact CB-CD2 4.12Å; L338-W369 HydrophobicContact CB-CE3 3.84Å; L338-W369 HydrophobicContact CB-CH2 4.07Å; L338-W369 HydrophobicContact CB-CZ2 4.32Å; L338-W369 HydrophobicContact CB-CZ3 3.81Å; L338-W369 HydrophobicContact CD1-CB 3.96Å; L338-W369 HydrophobicContact CD1-CD2 3.77Å; L338-W369 HydrophobicContact CD1-CE3 4.12Å; L338-W369 HydrophobicContact CD1-CG 3.69Å; L338-W369 HydrophobicContact CD2-CE3 4.28Å; L338-W369 HydrophobicContact CG-CD2 4.42Å; L338-W369 HydrophobicContact CG-CE3 4.31Å; L338-L371 HydrophobicContact CD1-CD1 4.45Å; L338-L371 HydrophobicContact CD2-CD2 4.31Å; L338-V381 HydrophobicContact CD2-CB 3.75Å; L338-V381 HydrophobicContact CD2-CG1 3.92Å; L338-V381 HydrophobicContact CD2-CG2 3.47Å; L338-V381 VanDerWaalsContact CD2-CG2 3.47Å; L338-V682 WeakPolarHBondContact CA-O 3.42Å; L338-V682 HydrophobicContact CB-CB 4.18Å; L338-V682 WeakPolarHBondContact CB-O 3.34Å; L338-V682 HydrophobicContact CD1-CB 4.3Å; L338-V682 HydrophobicContact CD1-CG1 4.08Å; L338-V682 WeakPolarHBondContact CG-O 3.46Å; L338-V682 PolarHBondContact N-O 3.02Å; L338-V682 PolarHBondContact O-N 3.43Å; L338-V682 VanDerWaalsContact O-N 3.14Å; L338-V684 HydrophobicContact CD1-CG2 3.89Å; L338-V684 HydrophobicContact CG-CG2 4.48Å
339	K	91.6	Very high	94.5	Very high	145 Å²	145	54.7 Å²	54.7	63%	0.63	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	142.9	179.2	-62.2	-160.2	174.7	-154.3	0	110.5	V337 Q383	V337-K339 HydrophobicContact CG1-CG 4.14Å; K339-Q383 PolarHBondContact O-NE2 2.87Å
340	G	91.9	Very high	94.8	Very high	31 Å²	31	48.8 Å²	48.8	32%	0.32	26%	0.258	S	S	.	.			trans	165.2	-33.8	178.1	0	0	0	0	0	113.6	R367	G340-R367 PolarHBondContact O-NH1 3.05Å; G340-R367 PolarHBondContact O-NH2 3.32Å
341	H	96.3	Very high	95	Very high	16 Å²	16	48.9 Å²	48.9	7%	0.074	26%	0.258	C	S	.	.			trans	-65	149.5	173.7	-74.7	-69.8	0	0	0	111.3	V345 S359 S361 D363 T365 R367	H341-V345 HydrophobicContact CB-CG2 3.81Å; H341-S359 PolarHBondContact NE2-OG 2.94Å; H341-S361 VanDerWaalsContact CE1-CB 3.46Å; H341-S361 WeakPolarHBondContact CE1-CB 3.46Å; H341-S361 WeakPolarHBondContact ND1-CB 3.31Å; H341-D363 VanDerWaalsContact CA-OD2 3.22Å; H341-D363 WeakPolarHBondContact CA-OD2 3.17Å; H341-D363 IonicContact CE1-OD1 2.61Å; H341-D363 IonicContact CG-OD2 2.66Å; H341-D363 VanDerWaalsContact ND1-CG 3.31Å; H341-D363 IonicContact ND1-OD1 2.8Å; H341-D363 PolarHBondContact ND1-OD1 3.48Å; H341-D363 IonicContact ND1-OD2 3.85Å; H341-D363 PolarHBondContact ND1-OD2 3.31Å; H341-T365 PolarHBondContact CE1-O 2.82Å; H341-T365 PolarHBondContact CE1-OG1 2.73Å; H341-T365 VanDerWaalsContact CE1-OG1 3.31Å; H341-T365 PolarHBondContact ND1-OG1 3.26Å; H341-R367 PolarHBondContact CE1-NE 2.94Å; H341-R367 PolarHBondContact ND1-NE 2.89Å; H341-R367 VanDerWaalsContact ND1-NE 3.2Å
342	Q	94.6	Very high	95.2	Very high	175 Å²	175	50 Å²	50	82%	0.818	27%	0.265	S	S	*	.	S	Bend	trans	-107.9	0.9	-175.4	-54.9	-171.4	-92.9	0	0	113.9	D363	Q342-D363 HydrophobicContact CB-CB 4.05Å; Q342-D363 PolarHBondContact N-OD2 3.04Å
343	S	94.5	Very high	95.2	Very high	31 Å²	31	52.6 Å²	52.6	22%	0.217	26%	0.261	C	S	.	.	S	Bend	trans	-153.2	170.5	179.7	152	0	0	0	0	108.1	S361 G362 G680	S343-S361 PolarHBondContact O-OG 3.11Å; S343-G362 WeakPolarHBondContact OG-CA 3.48Å; S343-G680 WeakPolarHBondContact O-CA 3.41Å
344	E	95.9	Very high	95.4	Very high	82 Å²	82	47.8 Å²	47.8	38%	0.383	24%	0.24	S	C	.	.			trans	-27.5	133	169.1	-63.9	92.2	142.8	0	0	114.1	F346 S361 G362 F662	E344-F346 HydrophobicContact CB-CD1 4.3Å; E344-F346 HydrophobicContact CB-CE1 3.69Å; E344-F346 HydrophobicContact CB-CE2 4.48Å; E344-F346 HydrophobicContact CB-CZ 3.79Å; E344-F346 HydrophobicContact CG-CE1 4.33Å; E344-S361 CarbonylContact O-C 3.55Å; E344-S361 WeakPolarHBondContact O-CA 3.48Å; E344-S361 WeakPolarHBondContact O-CB 3.31Å; E344-S361 PolarHBondContact O-OG 2.56Å; E344-G362 PolarHBondContact O-N 3.26Å; E344-F662 HydrophobicContact CB-CE2 3.99Å; E344-F662 HydrophobicContact CG-CE2 4.24Å
345	V	98	Very high	95.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.			trans	-109.5	93.1	175.6	-161.9	0	0	0	0	109.2	H341 I347 G360 S676 A677 V682	H341-V345 HydrophobicContact CB-CG2 3.81Å; V345-I347 VanDerWaalsContact C-N 3.3Å; V345-I347 PolarHBondContact O-N 3.17Å; V345-G360 CarbonylContact C-O 3.59Å; V345-G360 WeakPolarHBondContact CA-O 3.03Å; V345-G360 WeakPolarHBondContact CG1-O 3.12Å; V345-S676 CarbonylContact O-C 3.55Å; V345-S676 WeakPolarHBondContact O-CB 3.2Å; V345-S676 PolarHBondContact O-OG 3.05Å; V345-A677 PolarHBondContact N-O 2.76Å; V345-V682 HydrophobicContact CB-CG2 4.26Å; V345-V682 HydrophobicContact CG1-CG2 3.73Å; V345-V682 HydrophobicContact CG2-CG2 4.22Å
346	F	95.7	Very high	95.5	Very high	18 Å²	18	44.5 Å²	44.5	8%	0.079	23%	0.226	C	C	.	.			trans	-66.6	-29.4	-172.6	-54.8	-63.4	0	0	0	113.8	E344 G360 D402 F662	E344-F346 HydrophobicContact CB-CD1 4.3Å; E344-F346 HydrophobicContact CB-CE1 3.69Å; E344-F346 HydrophobicContact CB-CE2 4.48Å; E344-F346 HydrophobicContact CB-CZ 3.79Å; E344-F346 HydrophobicContact CG-CE1 4.33Å; F346-G360 PolarHBondContact N-O 2.95Å; F346-G360 VanDerWaalsContact N-O 3.11Å; F346-D402 HydrophobicContact CE2-CB 4.02Å; F346-D402 VanDerWaalsContact CE2-OD2 3.31Å; F346-D402 WeakPolarHBondContact CE2-OD2 3.05Å; F346-F662 HydrophobicContact CD1-CD1 4.32Å; F346-F662 HydrophobicContact CD1-CD2 4.15Å; F346-F662 AromaticContact CD1-CE1 3.98Å; F346-F662 HydrophobicContact CD1-CE1 3.98Å; F346-F662 AromaticContact CD1-CE2 3.79Å; F346-F662 HydrophobicContact CD1-CE2 3.79Å; F346-F662 HydrophobicContact CD1-CG 4.39Å; F346-F662 AromaticContact CD1-CZ 3.7Å; F346-F662 HydrophobicContact CD1-CZ 3.7Å; F346-F662 HydrophobicContact CE1-CE1 4.39Å; F346-F662 HydrophobicContact CE1-CE2 4.11Å; F346-F662 AromaticContact CE1-CZ 3.82Å; F346-F662 HydrophobicContact CE1-CZ 3.82Å; F346-F662 WeakPolarHBondContact O-CB 3.25Å
347	I	98.1	Very high	95.7	Very high	19 Å²	19	42.7 Å²	42.7	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.7	-165.2	55.7	-172.4	0	0	0	112.2	V345 S359 G360 V403 S405 L406 E663 S676	V345-I347 VanDerWaalsContact C-N 3.3Å; V345-I347 PolarHBondContact O-N 3.17Å; I347-S359 VanDerWaalsContact O-CA 3.27Å; I347-S359 WeakPolarHBondContact O-CA 3.3Å; I347-G360 PolarHBondContact O-N 3.06Å; I347-V403 HydrophobicContact CD1-CG1 4.41Å; I347-S405 VanDerWaalsContact CD1-C 3.42Å; I347-S405 VanDerWaalsContact CD1-CA 3.45Å; I347-L406 HydrophobicContact CB-CG 4.45Å; I347-L406 HydrophobicContact CD1-CB 4.09Å; I347-L406 HydrophobicContact CD1-CD2 3.83Å; I347-L406 HydrophobicContact CD1-CG 3.72Å; I347-L406 HydrophobicContact CG1-CD2 3.76Å; I347-L406 HydrophobicContact CG1-CG 3.98Å; I347-E663 VanDerWaalsContact CA-OE2 3.31Å; I347-E663 WeakPolarHBondContact CA-OE2 3.35Å; I347-E663 WeakPolarHBondContact CB-OE2 3.05Å; I347-S676 PolarHBondContact N-OG 2.89Å
348	C	98.5	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	138.5	167.6	65.1	0	0	0	0	113.2	L357 A358 E663 C665	C348-L357 HydrophobicContact CB-CD1 4.12Å; C348-A358 CarbonylContact C-O 3.53Å; C348-A358 WeakPolarHBondContact CA-O 3.33Å; C348-A358 VanDerWaalsContact CB-O 3.28Å; C348-A358 WeakPolarHBondContact CB-O 3.48Å; C348-E663 PolarHBondContact N-OE2 3.39Å; C348-C665 WeakPolarHBondContact O-CB 3.34Å; C348-C665 PolarHBondContact O-SG 2.86Å; C348-C665 VanDerWaalsContact SG-SG 3.7Å
349	A	98.5	Very high	96.1	Very high	21 Å²	21	39.7 Å²	39.7	17%	0.174	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	130.6	-179.8	0	0	0	0	0	112.2	A358 L406 W408	A349-A358 PolarHBondContact N-O 3.49Å; A349-A358 PolarHBondContact O-N 2.83Å; A349-L406 HydrophobicContact CB-CD1 3.49Å; A349-L406 VanDerWaalsContact CB-CD1 3.49Å; A349-W408 PolarHBondContact O-NE1 2.83Å
350	W	98.5	Very high	96.4	Very high	18 Å²	18	32.8 Å²	32.8	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	145.6	171.5	-67.5	91.8	0	0	0	111.6	D355 L357 L371 W408 C665 W666 N667 K672 V684	W350-D355 HydrophobicContact CZ3-CB 3.97Å; W350-L357 HydrophobicContact CD2-CB 4.32Å; W350-L357 HydrophobicContact CD2-CD1 4.01Å; W350-L357 HydrophobicContact CE3-CB 4.09Å; W350-L357 HydrophobicContact CG-CD1 4.02Å; W350-L357 HydrophobicContact CZ2-CD2 4.39Å; W350-L357 HydrophobicContact CZ3-CB 4.2Å; W350-L371 HydrophobicContact CH2-CD1 3.65Å; W350-L371 HydrophobicContact CZ3-CB 4.46Å; W350-L371 HydrophobicContact CZ3-CD1 3.79Å; W350-W408 VanDerWaalsContact O-CD1 3.24Å; W350-C665 PolarHBondContact NE1-O 3.49Å; W350-W666 VanDerWaalsContact CD1-O 3.24Å; W350-N667 HydrophobicContact CB-CB 4.37Å; W350-N667 HydrophobicContact CD2-CB 3.57Å; W350-N667 HydrophobicContact CE3-CB 3.8Å; W350-N667 HydrophobicContact CG-CB 3.84Å; W350-N667 HydrophobicContact CZ2-CB 4.4Å; W350-N667 HydrophobicContact CZ3-CB 4.3Å; W350-K672 HydrophobicContact CH2-CB 4.08Å; W350-K672 HydrophobicContact CH2-CD 3.84Å; W350-K672 HydrophobicContact CZ2-CB 3.79Å; W350-K672 HydrophobicContact CZ2-CD 4.39Å; W350-V684 HydrophobicContact CH2-CG1 3.88Å; W350-V684 HydrophobicContact CH2-CG2 4.2Å; W350-V684 HydrophobicContact CZ2-CG1 3.96Å; W350-V684 HydrophobicContact CZ2-CG2 4.13Å
351	N	98.2	Very high	96.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	15%	0.152	C	C	.	.			trans	-62.2	137.8	167.8	-173.1	-67.7	0	0	0	109.7	R353 N354 M356 W408 G412	N351-R353 PolarHBondContact O-N 3.12Å; N351-R353 VanDerWaalsContact O-N 3.15Å; N351-R353 PolarHBondContact OD1-N 3.01Å; N351-N354 VanDerWaalsContact CB-OD1 3.25Å; N351-N354 WeakPolarHBondContact CB-OD1 3.22Å; N351-N354 PolarHBondContact OD1-OD1 2.73Å; N351-M356 HydrophobicContact CB-CB 3.97Å; N351-M356 WeakPolarHBondContact CB-O 3.28Å; N351-M356 PolarHBondContact N-O 3.49Å; N351-W408 HydrophobicContact CB-CD2 4.23Å; N351-W408 HydrophobicContact CB-CZ2 4.14Å; N351-W408 VanDerWaalsContact ND2-CE3 3.34Å; N351-W408 VanDerWaalsContact ND2-CZ3 3.3Å; N351-W408 WeakPolarHBondContact ND2-CZ3 3.2Å; N351-G412 VanDerWaalsContact ND2-CA 3.35Å; N351-G412 WeakPolarHBondContact ND2-CA 3.24Å; N351-G412 PolarHBondContact ND2-O 3.15Å
352	P	95.6	Very high	96.6	Very high	51 Å²	51	31.2 Å²	31.2	33%	0.331	16%	0.155	S	C	.	.	S	Bend	trans	-68.6	-12.6	-176.4	25.5	-34	0	0	0	114.3	W408 N409 S668	P352-W408 HydrophobicContact CG-CB 4.49Å; P352-N409 WeakPolarHBondContact CG-O 3.37Å; P352-S668 VanDerWaalsContact O-CB 3.28Å; P352-S668 WeakPolarHBondContact O-CB 3.33Å
353	R	93.4	Very high	96.6	Very high	165 Å²	165	23.9 Å²	23.9	62%	0.623	12%	0.122	S	C	*	.	S	Bend	trans	-113.9	-27.7	-173.8	-55.9	-51.3	179.8	94.4	1.7	115.1	N351 S410 D411	N351-R353 PolarHBondContact O-N 3.12Å; N351-R353 VanDerWaalsContact O-N 3.15Å; N351-R353 PolarHBondContact OD1-N 3.01Å; R353-S410 PolarHBondContact NE-O 2.83Å; R353-S410 PolarHBondContact NH2-O 3.14Å; R353-D411 WeakPolarHBondContact CG-O 3.41Å
354	N	93.4	Very high	96.6	Very high	36 Å²	36	22.7 Å²	22.7	19%	0.193	11%	0.113	C	C	.	.	S	Bend	trans	-142.8	175.5	-176.8	65.8	-3.6	0	0	0	112.9	N351 M356 E372	N351-N354 VanDerWaalsContact CB-OD1 3.25Å; N351-N354 WeakPolarHBondContact CB-OD1 3.22Å; N351-N354 PolarHBondContact OD1-OD1 2.73Å; N354-M356 PolarHBondContact ND2-SD 3.33Å; N354-M356 PolarHBondContact O-N 2.57Å; N354-M356 WeakPolarHBondContact OD1-CB 3.46Å; N354-E372 HydrophobicContact CB-CG 4.17Å; N354-E372 VanDerWaalsContact CB-OE1 3.24Å; N354-E372 WeakPolarHBondContact CB-OE1 3.21Å; N354-E372 PolarHBondContact ND2-OE1 3.44Å
355	D	94.4	Very high	96.7	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.027	10%	0.098	C	C	.	.	S	Bend	trans	-81.6	51.4	177.6	-72.8	4.4	0	0	0	111	W350 L371 N667 R669 K672	W350-D355 HydrophobicContact CZ3-CB 3.97Å; D355-L371 HydrophobicContact CB-CB 4.32Å; D355-L371 CarbonylContact O-C 3.55Å; D355-L371 WeakPolarHBondContact O-CA 3.45Å; D355-L371 VanDerWaalsContact O-CB 3.3Å; D355-L371 WeakPolarHBondContact O-CB 3.46Å; D355-L371 PolarHBondContact O-N 2.93Å; D355-N667 PolarHBondContact OD1-ND2 3.27Å; D355-R669 VanDerWaalsContact CG-NH1 3.34Å; D355-R669 IonicContact OD1-CZ 3.05Å; D355-R669 IonicContact OD1-NH1 3.67Å; D355-R669 PolarHBondContact OD1-NH1 2.87Å; D355-R669 IonicContact OD1-NH2 3.5Å; D355-R669 PolarHBondContact OD1-NH2 2.66Å; D355-R669 IonicContact OD2-CZ 3.14Å; D355-R669 IonicContact OD2-NH1 3.09Å; D355-R669 PolarHBondContact OD2-NH1 2.91Å; D355-R669 IonicContact OD2-NH2 3.52Å; D355-R669 PolarHBondContact OD2-NH2 2.84Å; D355-K672 IonicContact OD2-NZ 3.8Å; D355-K672 PolarHBondContact OD2-NZ 2.96Å
356	M	95.8	Very high	96.7	Very high	16 Å²	16	19.2 Å²	19.2	8%	0.079	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.9	164.7	-69.2	174.4	64.3	0	0	108.9	N351 N354 I368 W369 N370 T429	N351-M356 HydrophobicContact CB-CB 3.97Å; N351-M356 WeakPolarHBondContact CB-O 3.28Å; N351-M356 PolarHBondContact N-O 3.49Å; N354-M356 PolarHBondContact ND2-SD 3.33Å; N354-M356 PolarHBondContact O-N 2.57Å; N354-M356 WeakPolarHBondContact OD1-CB 3.46Å; M356-I368 HydrophobicContact CE-CG2 3.34Å; M356-W369 WeakPolarHBondContact CA-O 3.14Å; M356-N370 HydrophobicContact CG-CB 4.48Å; M356-T429 HydrophobicContact CE-CG2 4.29Å
357	L	98	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.6	177.3	-179.3	57.6	0	0	0	109.2	L338 C348 W350 I368 W369 L371 V682 V684	L338-L357 HydrophobicContact CD1-CD2 4.21Å; C348-L357 HydrophobicContact CB-CD1 4.12Å; W350-L357 HydrophobicContact CD2-CB 4.32Å; W350-L357 HydrophobicContact CD2-CD1 4.01Å; W350-L357 HydrophobicContact CE3-CB 4.09Å; W350-L357 HydrophobicContact CG-CD1 4.02Å; W350-L357 HydrophobicContact CZ2-CD2 4.39Å; W350-L357 HydrophobicContact CZ3-CB 4.2Å; L357-I368 CarbonylContact O-C 3.57Å; L357-I368 WeakPolarHBondContact O-CA 3.44Å; L357-W369 HydrophobicContact CB-CB 4.44Å; L357-W369 PolarHBondContact N-O 3.06Å; L357-W369 VanDerWaalsContact O-CD1 3.29Å; L357-W369 PolarHBondContact O-N 3.33Å; L357-L371 HydrophobicContact CB-CD1 4.07Å; L357-V682 HydrophobicContact CD2-CG1 3.66Å; L357-V684 HydrophobicContact CD2-CG2 3.71Å
358	A	98.5	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	148.3	166.8	0	0	0	0	0	110.3	C348 A349 R367 L406 W408 L415	C348-A358 CarbonylContact C-O 3.53Å; C348-A358 WeakPolarHBondContact CA-O 3.33Å; C348-A358 VanDerWaalsContact CB-O 3.28Å; C348-A358 WeakPolarHBondContact CB-O 3.48Å; A349-A358 PolarHBondContact N-O 3.49Å; A349-A358 PolarHBondContact O-N 2.83Å; A358-R367 CarbonylContact C-O 3.52Å; A358-R367 VanDerWaalsContact CA-O 3.25Å; A358-R367 WeakPolarHBondContact CA-O 3.47Å; A358-L406 HydrophobicContact CB-CD1 4.06Å; A358-L406 HydrophobicContact CB-CD2 4.22Å; A358-W408 HydrophobicContact CB-CZ2 3.85Å; A358-L415 HydrophobicContact CB-CD1 3.82Å; A358-L415 HydrophobicContact CB-CD2 3.85Å
359	S	98.6	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.3	169.3	60.5	0	0	0	0	112.2	H341 I347 A366 R367 W369 L406	H341-S359 PolarHBondContact NE2-OG 2.94Å; I347-S359 VanDerWaalsContact O-CA 3.27Å; I347-S359 WeakPolarHBondContact O-CA 3.3Å; S359-A366 CarbonylContact O-C 3.59Å; S359-A366 WeakPolarHBondContact O-CA 3.2Å; S359-A366 WeakPolarHBondContact O-CB 3.14Å; S359-R367 PolarHBondContact N-O 3Å; S359-R367 PolarHBondContact O-N 2.59Å; S359-W369 PolarHBondContact OG-NE1 3.42Å; S359-L406 VanDerWaalsContact C-CD2 3.41Å
360	G	98	Very high	96.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.3	178.5	0	0	0	0	0	111.8	V345 F346 I347	V345-G360 CarbonylContact C-O 3.59Å; V345-G360 WeakPolarHBondContact CA-O 3.03Å; V345-G360 WeakPolarHBondContact CG1-O 3.12Å; F346-G360 PolarHBondContact N-O 2.95Å; F346-G360 VanDerWaalsContact N-O 3.11Å; I347-G360 PolarHBondContact O-N 3.06Å
361	S	97.9	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.			trans	-143	162	-165.7	172.6	0	0	0	0	113.3	H341 S343 E344 D363 T365 V403	H341-S361 VanDerWaalsContact CE1-CB 3.46Å; H341-S361 WeakPolarHBondContact CE1-CB 3.46Å; H341-S361 WeakPolarHBondContact ND1-CB 3.31Å; S343-S361 PolarHBondContact O-OG 3.11Å; E344-S361 CarbonylContact O-C 3.55Å; E344-S361 WeakPolarHBondContact O-CA 3.48Å; E344-S361 WeakPolarHBondContact O-CB 3.31Å; E344-S361 PolarHBondContact O-OG 2.56Å; S361-D363 WeakPolarHBondContact CB-OD1 3.21Å; S361-D363 PolarHBondContact O-N 3.4Å; S361-D363 PolarHBondContact OG-N 3.2Å; S361-D363 VanDerWaalsContact OG-N 3.1Å; S361-D363 PolarHBondContact OG-OD1 2.87Å; S361-T365 PolarHBondContact N-O 3.49Å; S361-V403 PolarHBondContact O-N 3.4Å
362	G	94.5	Very high	95.4	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.8	165.8	0	0	0	0	0	113.7	S343 E344 S364	S343-G362 WeakPolarHBondContact OG-CA 3.48Å; E344-G362 PolarHBondContact O-N 3.26Å; G362-S364 PolarHBondContact O-N 2.59Å
363	D	94.2	Very high	94.2	Very high	21 Å²	21	29.2 Å²	29.2	11%	0.112	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	10.6	177.6	84.7	-13.3	0	0	0	115.2	H341 Q342 S361 T365 R367	H341-D363 VanDerWaalsContact CA-OD2 3.22Å; H341-D363 WeakPolarHBondContact CA-OD2 3.17Å; H341-D363 IonicContact CE1-OD1 2.61Å; H341-D363 IonicContact CG-OD2 2.66Å; H341-D363 VanDerWaalsContact ND1-CG 3.31Å; H341-D363 IonicContact ND1-OD1 2.8Å; H341-D363 PolarHBondContact ND1-OD1 3.48Å; H341-D363 IonicContact ND1-OD2 3.85Å; H341-D363 PolarHBondContact ND1-OD2 3.31Å; Q342-D363 HydrophobicContact CB-CB 4.05Å; Q342-D363 PolarHBondContact N-OD2 3.04Å; S361-D363 WeakPolarHBondContact CB-OD1 3.21Å; S361-D363 PolarHBondContact O-N 3.4Å; S361-D363 PolarHBondContact OG-N 3.2Å; S361-D363 VanDerWaalsContact OG-N 3.1Å; S361-D363 PolarHBondContact OG-OD1 2.87Å; D363-T365 VanDerWaalsContact CG-OG1 3.26Å; D363-T365 PolarHBondContact O-N 3.14Å; D363-T365 WeakPolarHBondContact OD1-CA 3.37Å; D363-T365 VanDerWaalsContact OD1-CB 3.31Å; D363-T365 WeakPolarHBondContact OD1-CB 3.46Å; D363-T365 PolarHBondContact OD1-N 3.44Å; D363-T365 PolarHBondContact OD1-OG1 3.08Å; D363-T365 PolarHBondContact OD2-OG1 3.24Å; D363-R367 IonicContact OD2-CZ 2.74Å; D363-R367 IonicContact OD2-NE 3.24Å; D363-R367 IonicContact OD2-NH2 2.64Å; D363-R367 PolarHBondContact OD2-NH2 2.72Å
364	S	94.9	Very high	92.7	Very high	5 Å²	5	26.9 Å²	26.9	4%	0.035	14%	0.144	C	C	.	.	S	Bend	trans	60.1	21.9	-177.7	-50.3	0	0	0	0	113.7	G362 H388 S399 N400 K401	G362-S364 PolarHBondContact O-N 2.59Å; S364-H388 WeakPolarHBondContact O-CB 3.2Å; S364-H388 PolarHBondContact O-N 2.79Å; S364-S399 WeakPolarHBondContact CB-OG 3.25Å; S364-S399 PolarHBondContact OG-OG 3.15Å; S364-N400 VanDerWaalsContact OG-CA 3.32Å; S364-N400 WeakPolarHBondContact OG-CA 3.47Å; S364-K401 PolarHBondContact OG-N 3.24Å; S364-K401 PolarHBondContact OG-O 2.83Å
365	T	97.2	Very high	91.1	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.6	171.9	78	0	0	0	0	111.6	H341 S361 D363 R367 V385 V403	H341-T365 PolarHBondContact CE1-O 2.82Å; H341-T365 PolarHBondContact CE1-OG1 2.73Å; H341-T365 VanDerWaalsContact CE1-OG1 3.31Å; H341-T365 PolarHBondContact ND1-OG1 3.26Å; S361-T365 PolarHBondContact N-O 3.49Å; D363-T365 VanDerWaalsContact CG-OG1 3.26Å; D363-T365 PolarHBondContact O-N 3.14Å; D363-T365 WeakPolarHBondContact OD1-CA 3.37Å; D363-T365 VanDerWaalsContact OD1-CB 3.31Å; D363-T365 WeakPolarHBondContact OD1-CB 3.46Å; D363-T365 PolarHBondContact OD1-N 3.44Å; D363-T365 PolarHBondContact OD1-OG1 3.08Å; D363-T365 PolarHBondContact OD2-OG1 3.24Å; T365-R367 PolarHBondContact OG1-NE 3.11Å; T365-R367 VanDerWaalsContact OG1-NE 3.14Å; T365-V385 HydrophobicContact CG2-CG1 3.67Å; T365-V403 WeakPolarHBondContact O-CG2 3.46Å
366	A	98.1	Very high	89.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	157.6	149.4	0	0	0	0	0	108.6	S359 L386 V403 T417	S359-A366 CarbonylContact O-C 3.59Å; S359-A366 WeakPolarHBondContact O-CA 3.2Å; S359-A366 WeakPolarHBondContact O-CB 3.14Å; A366-L386 HydrophobicContact CB-CB 4.03Å; A366-L386 HydrophobicContact CB-CD2 4.35Å; A366-L386 PolarHBondContact N-O 3.48Å; A366-L386 WeakPolarHBondContact O-CA 3.46Å; A366-L386 WeakPolarHBondContact O-CB 3.39Å; A366-L386 PolarHBondContact O-N 2.87Å; A366-V403 HydrophobicContact CB-CG1 4.41Å; A366-T417 HydrophobicContact CB-CG2 3.93Å
367	R	98.2	Very high	87.8	Confident	19 Å²	19	35.4 Å²	35.4	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.6	174.6	-64.7	-179.9	-165.6	-131.9	5	110.8	G340 H341 A358 S359 D363 T365 W369 L384 V385	G340-R367 PolarHBondContact O-NH1 3.05Å; G340-R367 PolarHBondContact O-NH2 3.32Å; H341-R367 PolarHBondContact CE1-NE 2.94Å; H341-R367 PolarHBondContact ND1-NE 2.89Å; H341-R367 VanDerWaalsContact ND1-NE 3.2Å; A358-R367 CarbonylContact C-O 3.52Å; A358-R367 VanDerWaalsContact CA-O 3.25Å; A358-R367 WeakPolarHBondContact CA-O 3.47Å; S359-R367 PolarHBondContact N-O 3Å; S359-R367 PolarHBondContact O-N 2.59Å; D363-R367 IonicContact OD2-CZ 2.74Å; D363-R367 IonicContact OD2-NE 3.24Å; D363-R367 IonicContact OD2-NH2 2.64Å; D363-R367 PolarHBondContact OD2-NH2 2.72Å; T365-R367 PolarHBondContact OG1-NE 3.11Å; T365-R367 VanDerWaalsContact OG1-NE 3.14Å; R367-W369 HydrophobicContact CB-CZ2 3.94Å; R367-W369 HydrophobicContact CG-CZ2 4.42Å; R367-L384 VanDerWaalsContact CA-O 3.24Å; R367-L384 WeakPolarHBondContact CA-O 3.48Å; R367-V385 HydrophobicContact CG-CG2 4.36Å
368	I	97.7	Very high	86.1	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.5	172.8	-62.4	172.7	0	0	0	107.6	M356 L357 Q383 L384 L386 W408 L415	M356-I368 HydrophobicContact CE-CG2 3.34Å; L357-I368 CarbonylContact O-C 3.57Å; L357-I368 WeakPolarHBondContact O-CA 3.44Å; I368-Q383 CarbonylContact O-C 3.54Å; I368-Q383 WeakPolarHBondContact O-CA 3.38Å; I368-L384 HydrophobicContact CB-CB 4.3Å; I368-L384 HydrophobicContact CB-CD1 4.44Å; I368-L384 PolarHBondContact N-O 3.49Å; I368-L384 PolarHBondContact O-N 2.8Å; I368-L386 HydrophobicContact CD1-CD1 4.12Å; I368-L386 HydrophobicContact CD1-CD2 3.78Å; I368-L386 HydrophobicContact CG1-CD1 4.16Å; I368-L386 HydrophobicContact CG1-CD2 4.1Å; I368-W408 HydrophobicContact CD1-CH2 3.97Å; I368-W408 HydrophobicContact CG1-CH2 4.33Å; I368-W408 HydrophobicContact CG1-CZ2 4.46Å; I368-W408 HydrophobicContact CG2-CH2 4.35Å; I368-L415 HydrophobicContact CD1-CD2 4.07Å; I368-L415 HydrophobicContact CG1-CD2 4.03Å
369	W	96.3	Very high	84.5	Confident	3 Å²	3	47 Å²	47	1%	0.011	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.6	-178.5	-44	88.7	0	0	0	108.8	L338 M356 L357 S359 R367 L371 Q383	L338-W369 HydrophobicContact CB-CD2 4.12Å; L338-W369 HydrophobicContact CB-CE3 3.84Å; L338-W369 HydrophobicContact CB-CH2 4.07Å; L338-W369 HydrophobicContact CB-CZ2 4.32Å; L338-W369 HydrophobicContact CB-CZ3 3.81Å; L338-W369 HydrophobicContact CD1-CB 3.96Å; L338-W369 HydrophobicContact CD1-CD2 3.77Å; L338-W369 HydrophobicContact CD1-CE3 4.12Å; L338-W369 HydrophobicContact CD1-CG 3.69Å; L338-W369 HydrophobicContact CD2-CE3 4.28Å; L338-W369 HydrophobicContact CG-CD2 4.42Å; L338-W369 HydrophobicContact CG-CE3 4.31Å; M356-W369 WeakPolarHBondContact CA-O 3.14Å; L357-W369 HydrophobicContact CB-CB 4.44Å; L357-W369 PolarHBondContact N-O 3.06Å; L357-W369 VanDerWaalsContact O-CD1 3.29Å; L357-W369 PolarHBondContact O-N 3.33Å; S359-W369 PolarHBondContact OG-NE1 3.42Å; R367-W369 HydrophobicContact CB-CZ2 3.94Å; R367-W369 HydrophobicContact CG-CZ2 4.42Å; W369-L371 HydrophobicContact CB-CD1 4.49Å; W369-Q383 HydrophobicContact CD2-CB 4.25Å; W369-Q383 HydrophobicContact CE3-CB 3.56Å; W369-Q383 HydrophobicContact CZ3-CB 3.78Å; W369-Q383 HydrophobicContact CZ3-CG 4.26Å; W369-Q383 VanDerWaalsContact CZ3-NE2 3.34Å
370	N	93.1	Very high	83.3	Confident	48 Å²	48	53.9 Å²	53.9	26%	0.257	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.5	175.7	-171.4	-36.2	0	0	0	110.5	M356 E372 V381 P382	M356-N370 HydrophobicContact CG-CB 4.48Å; N370-E372 PolarHBondContact ND2-OE2 2.9Å; N370-E372 WeakPolarHBondContact OD1-CB 3.46Å; N370-E372 WeakPolarHBondContact OD1-CG 3.18Å; N370-E372 PolarHBondContact OD1-N 2.76Å; N370-E372 PolarHBondContact OD1-OE2 2.87Å; N370-V381 VanDerWaalsContact O-CG1 3.29Å; N370-V381 WeakPolarHBondContact O-CG1 3.49Å; N370-P382 PolarHBondContact N-O 2.82Å
371	L	92.2	Very high	82.6	Confident	19 Å²	19	54.4 Å²	54.4	10%	0.099	30%	0.303	C	S	.	.			trans	-126.5	19.9	-178.6	-58.9	147.8	0	0	0	111.6	L338 W350 D355 L357 W369 V381 V684	L338-L371 HydrophobicContact CD1-CD1 4.45Å; L338-L371 HydrophobicContact CD2-CD2 4.31Å; W350-L371 HydrophobicContact CH2-CD1 3.65Å; W350-L371 HydrophobicContact CZ3-CB 4.46Å; W350-L371 HydrophobicContact CZ3-CD1 3.79Å; D355-L371 HydrophobicContact CB-CB 4.32Å; D355-L371 CarbonylContact O-C 3.55Å; D355-L371 WeakPolarHBondContact O-CA 3.45Å; D355-L371 VanDerWaalsContact O-CB 3.3Å; D355-L371 WeakPolarHBondContact O-CB 3.46Å; D355-L371 PolarHBondContact O-N 2.93Å; L357-L371 HydrophobicContact CB-CD1 4.07Å; W369-L371 HydrophobicContact CB-CD1 4.49Å; L371-V381 HydrophobicContact CD2-CG1 3.68Å; L371-V381 HydrophobicContact CD2-CG2 4.25Å; L371-V381 HydrophobicContact CG-CG1 4.14Å; L371-V684 HydrophobicContact CD1-CG2 3.82Å
372	E	84.3	Confident	82	Confident	99 Å²	99	58 Å²	58	46%	0.463	33%	0.325	S	S	.	.	S	Bend	trans	-65.9	-47.5	177.6	-64.3	177.4	120.5	0	0	111.8	N354 N370	N354-E372 HydrophobicContact CB-CG 4.17Å; N354-E372 VanDerWaalsContact CB-OE1 3.24Å; N354-E372 WeakPolarHBondContact CB-OE1 3.21Å; N354-E372 PolarHBondContact ND2-OE1 3.44Å; N370-E372 PolarHBondContact ND2-OE2 2.9Å; N370-E372 WeakPolarHBondContact OD1-CB 3.46Å; N370-E372 WeakPolarHBondContact OD1-CG 3.18Å; N370-E372 PolarHBondContact OD1-N 2.76Å; N370-E372 PolarHBondContact OD1-OE2 2.87Å
373	E	69.5	Low	81.9	Confident	150 Å²	150	60.7 Å²	60.7	70%	0.701	33%	0.334	S	S	*	.	S	Bend	trans	-90.7	142.1	177.3	-75.5	-67.7	172.8	0	0	111.2	V375	E373-V375 PolarHBondContact O-N 3.48Å
374	P	62.4	Low	81.9	Confident	116 Å²	116	62.9 Å²	62.9	75%	0.753	35%	0.346	S	S	*	.			trans	-61	103.6	171.3	-20.3	33	0	0	0	110.4	A376	P374-A376 PolarHBondContact O-N 2.86Å
375	V	58.3	Low	82	Confident	43 Å²	43	65.8 Å²	65.8	26%	0.261	36%	0.363	S	S	.	.			trans	-63.1	111	-171.2	-167.2	0	0	0	0	110.2	E373 N377 H380 V381	E373-V375 PolarHBondContact O-N 3.48Å; V375-N377 WeakPolarHBondContact CG1-O 3.42Å; V375-N377 CarbonylContact O-C 3.59Å; V375-N377 PolarHBondContact O-N 2.88Å; V375-H380 WeakPolarHBondContact CG1-O 3.31Å; V375-V381 HydrophobicContact CG2-CG1 4.39Å; V375-V381 HydrophobicContact CG2-CG2 4.15Å
376	A	56	Low	82	Confident	112 Å²	112	65.4 Å²	65.4	93%	0.926	36%	0.361	S	S	*	.	S	Bend	trans	-58	-17.5	-173.7	0	0	0	0	0	114.4	P374	P374-A376 PolarHBondContact O-N 2.86Å
377	N	65.5	Low	81.8	Confident	81 Å²	81	66.9 Å²	66.9	43%	0.433	37%	0.37	S	S	.	.	S	Bend	trans	-130.6	108.6	160.6	177.3	3.5	0	0	0	108.6	V375 H379 H380	V375-N377 WeakPolarHBondContact CG1-O 3.42Å; V375-N377 CarbonylContact O-C 3.59Å; V375-N377 PolarHBondContact O-N 2.88Å; N377-H379 PolarHBondContact O-N 2.62Å; N377-H379 WeakPolarHBondContact OD1-CB 3.2Å; N377-H379 PolarHBondContact OD1-CD2 3.18Å; N377-H379 VanDerWaalsContact OD1-CD2 3.31Å; N377-H379 PolarHBondContact OD1-N 3.19Å; N377-H379 VanDerWaalsContact OD1-N 3.08Å; N377-H380 PolarHBondContact O-N 3.31Å
378	P	62.7	Low	81.6	Confident	73 Å²	73	66 Å²	66	47%	0.474	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13	-177.9	26.1	-34.8	0	0	0	113.8	H380	P378-H380 VanDerWaalsContact C-N 3.3Å
379	H	64.8	Low	81	Confident	170 Å²	170	71.9 Å²	71.9	79%	0.787	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.6	172.3	-53.8	-60.6	0	0	0	114.1	N377	N377-H379 PolarHBondContact O-N 2.62Å; N377-H379 WeakPolarHBondContact OD1-CB 3.2Å; N377-H379 PolarHBondContact OD1-CD2 3.18Å; N377-H379 VanDerWaalsContact OD1-CD2 3.31Å; N377-H379 PolarHBondContact OD1-N 3.19Å; N377-H379 VanDerWaalsContact OD1-N 3.08Å
380	H	73.8	Confident	80.4	Confident	145 Å²	145	72.5 Å²	72.5	67%	0.671	39%	0.393	S	S	*	.			trans	-137.8	62.2	-178.6	-159.4	67.5	0	0	0	112.4	V375 N377 P378	V375-H380 WeakPolarHBondContact CG1-O 3.31Å; N377-H380 PolarHBondContact O-N 3.31Å; P378-H380 VanDerWaalsContact C-N 3.3Å
381	V	83.2	Confident	79.7	Confident	12 Å²	12	75.7 Å²	75.7	7%	0.073	41%	0.409	C	S	.	.			trans	-65.8	129.5	170.5	-176	0	0	0	0	109.7	T336 L338 N370 L371 V375 Q383	T336-V381 HydrophobicContact CG2-CG2 3.9Å; L338-V381 HydrophobicContact CD2-CB 3.75Å; L338-V381 HydrophobicContact CD2-CG1 3.92Å; L338-V381 HydrophobicContact CD2-CG2 3.47Å; L338-V381 VanDerWaalsContact CD2-CG2 3.47Å; N370-V381 VanDerWaalsContact O-CG1 3.29Å; N370-V381 WeakPolarHBondContact O-CG1 3.49Å; L371-V381 HydrophobicContact CD2-CG1 3.68Å; L371-V381 HydrophobicContact CD2-CG2 4.25Å; L371-V381 HydrophobicContact CG-CG1 4.14Å; V375-V381 HydrophobicContact CG2-CG1 4.39Å; V375-V381 HydrophobicContact CG2-CG2 4.15Å; V381-Q383 PolarHBondContact O-N 3.24Å
382	P	85.8	Confident	78.7	Confident	74 Å²	74	79.7 Å²	79.7	48%	0.481	43%	0.43	S	S	.	.			trans	-58.8	125.5	175.5	-23.9	34.2	0	0	0	111.4	N370	N370-P382 PolarHBondContact N-O 2.82Å
383	Q	90.8	Very high	78.3	Confident	72 Å²	72	83.2 Å²	83.2	34%	0.336	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.5	179.1	75.3	-176.9	-91.3	0	0	111.4	K339 I368 W369 V381	K339-Q383 PolarHBondContact O-NE2 2.87Å; I368-Q383 CarbonylContact O-C 3.54Å; I368-Q383 WeakPolarHBondContact O-CA 3.38Å; W369-Q383 HydrophobicContact CD2-CB 4.25Å; W369-Q383 HydrophobicContact CE3-CB 3.56Å; W369-Q383 HydrophobicContact CZ3-CB 3.78Å; W369-Q383 HydrophobicContact CZ3-CG 4.26Å; W369-Q383 VanDerWaalsContact CZ3-NE2 3.34Å; V381-Q383 PolarHBondContact O-N 3.24Å
384	L	95.5	Very high	78.6	Confident	68 Å²	68	79.7 Å²	79.7	36%	0.356	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.5	167.7	-58.5	168.3	0	0	0	108.1	R367 I368 L386 T429	R367-L384 VanDerWaalsContact CA-O 3.24Å; R367-L384 WeakPolarHBondContact CA-O 3.48Å; I368-L384 HydrophobicContact CB-CB 4.3Å; I368-L384 HydrophobicContact CB-CD1 4.44Å; I368-L384 PolarHBondContact N-O 3.49Å; I368-L384 PolarHBondContact O-N 2.8Å; L384-L386 HydrophobicContact CB-CD1 3.98Å; L384-T429 VanDerWaalsContact CD1-O 3.28Å; L384-T429 WeakPolarHBondContact CD1-O 3.26Å
385	V	96.8	Very high	79.4	Confident	66 Å²	66	80.9 Å²	80.9	40%	0.4	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.7	-179.3	-174.9	0	0	0	0	109.5	T365 R367 T387	T365-V385 HydrophobicContact CG2-CG1 3.67Å; R367-V385 HydrophobicContact CG-CG2 4.36Å; V385-T387 PolarHBondContact O-N 2.9Å
386	L	96.8	Very high	80.4	Confident	1 Å²	1	83 Å²	83	1%	0.005	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	76.8	-175.4	-73.8	57	0	0	0	107.9	A366 I368 L384 H388 L415 W427	A366-L386 HydrophobicContact CB-CB 4.03Å; A366-L386 HydrophobicContact CB-CD2 4.35Å; A366-L386 PolarHBondContact N-O 3.48Å; A366-L386 WeakPolarHBondContact O-CA 3.46Å; A366-L386 WeakPolarHBondContact O-CB 3.39Å; A366-L386 PolarHBondContact O-N 2.87Å; I368-L386 HydrophobicContact CD1-CD1 4.12Å; I368-L386 HydrophobicContact CD1-CD2 3.78Å; I368-L386 HydrophobicContact CG1-CD1 4.16Å; I368-L386 HydrophobicContact CG1-CD2 4.1Å; L384-L386 HydrophobicContact CB-CD1 3.98Å; L386-H388 PolarHBondContact O-CE1 3.42Å; L386-H388 PolarHBondContact O-N 3.43Å; L386-H388 PolarHBondContact O-ND1 2.94Å; L386-L415 HydrophobicContact CD2-CD2 3.92Å; L386-W427 HydrophobicContact CB-CD2 4.02Å; L386-W427 HydrophobicContact CB-CE3 3.82Å; L386-W427 HydrophobicContact CB-CH2 4.05Å; L386-W427 HydrophobicContact CB-CZ2 4.22Å; L386-W427 HydrophobicContact CB-CZ3 3.83Å; L386-W427 HydrophobicContact CD2-CB 3.75Å; L386-W427 HydrophobicContact CD2-CD2 3.7Å; L386-W427 HydrophobicContact CD2-CE3 3.99Å; L386-W427 HydrophobicContact CD2-CG 3.59Å; L386-W427 HydrophobicContact CG-CD2 3.9Å; L386-W427 HydrophobicContact CG-CE3 3.67Å; L386-W427 HydrophobicContact CG-CG 4.3Å; L386-W427 HydrophobicContact CG-CZ3 4.14Å
387	T	94.8	Very high	81.6	Confident	31 Å²	31	80 Å²	80	19%	0.19	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.9	-177.3	-52.8	0	0	0	0	111.4	V385 W389 L398 W427	V385-T387 PolarHBondContact O-N 2.9Å; T387-W389 HydrophobicContact CG2-CD2 4.22Å; T387-W389 HydrophobicContact CG2-CZ2 3.74Å; T387-W389 PolarHBondContact O-N 2.82Å; T387-L398 HydrophobicContact CG2-CD2 3.4Å; T387-L398 VanDerWaalsContact CG2-CD2 3.4Å; T387-L398 HydrophobicContact CG2-CG 4.16Å; T387-W427 WeakPolarHBondContact O-CH2 3.42Å
388	H	92.9	Very high	82.2	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	43%	0.432	C	S	.	.			trans	-82.3	84.3	-176.8	-72.9	43.1	0	0	0	110.7	S364 L386 S399 T417 R425 W427	S364-H388 WeakPolarHBondContact O-CB 3.2Å; S364-H388 PolarHBondContact O-N 2.79Å; L386-H388 PolarHBondContact O-CE1 3.42Å; L386-H388 PolarHBondContact O-N 3.43Å; L386-H388 PolarHBondContact O-ND1 2.94Å; H388-S399 VanDerWaalsContact O-CB 3.23Å; H388-S399 WeakPolarHBondContact O-CB 3.31Å; H388-S399 PolarHBondContact O-N 2.65Å; H388-S399 PolarHBondContact O-OG 3.41Å; H388-T417 PolarHBondContact CE1-OG1 3.38Å; H388-T417 WeakPolarHBondContact NE2-CB 3.43Å; H388-T417 PolarHBondContact NE2-OG1 3.14Å; H388-R425 PolarHBondContact CD2-NH1 3.26Å; H388-W427 AromaticContact CE1-CE2 4Å; H388-W427 AromaticContact CE1-CZ2 3.46Å; H388-W427 VanDerWaalsContact CE1-CZ2 3.46Å; H388-W427 WeakPolarHBondContact CE1-CZ2 3.49Å; H388-W427 AromaticContact ND1-CZ2 3.64Å; H388-W427 AromaticContact NE2-CZ2 3.96Å
389	W	86.4	Confident	82.9	Confident	127 Å²	127	76.9 Å²	76.9	48%	0.481	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.3	173.4	-58	95.7	0	0	0	111.9	T387 T396 V397 L398 R425	T387-W389 HydrophobicContact CG2-CD2 4.22Å; T387-W389 HydrophobicContact CG2-CZ2 3.74Å; T387-W389 PolarHBondContact O-N 2.82Å; W389-T396 HydrophobicContact CB-CG2 3.67Å; W389-T396 HydrophobicContact CD2-CG2 4.16Å; W389-T396 HydrophobicContact CE3-CG2 4.03Å; W389-T396 HydrophobicContact CG-CG2 4.01Å; W389-V397 CarbonylContact C-O 3.55Å; W389-V397 WeakPolarHBondContact CA-O 3.24Å; W389-L398 HydrophobicContact CE3-CG 4.33Å; W389-L398 HydrophobicContact CH2-CD1 4.12Å; W389-L398 HydrophobicContact CH2-CG 4.06Å; W389-L398 HydrophobicContact CZ3-CD1 4.21Å; W389-L398 HydrophobicContact CZ3-CG 3.91Å; W389-R425 PolarHBondContact O-NH2 2.85Å
390	V	82.3	Confident	83.7	Confident	16 Å²	16	73.4 Å²	73.4	10%	0.097	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.9	171.9	178.9	0	0	0	0	108.2	L392 V397 D421 F423	V390-L392 HydrophobicContact CG1-CD2 3.97Å; V390-L392 HydrophobicContact CG1-CG 4.07Å; V390-V397 PolarHBondContact N-O 2.96Å; V390-V397 PolarHBondContact O-N 3Å; V390-D421 HydrophobicContact CG2-CB 4.45Å; V390-D421 WeakPolarHBondContact CG2-OD2 3.47Å; V390-F423 HydrophobicContact CG1-CE2 4Å; V390-F423 HydrophobicContact CG2-CD2 4.35Å; V390-F423 HydrophobicContact CG2-CE2 4.41Å
391	N	78.7	Confident	84.3	Confident	114 Å²	114	67.6 Å²	67.6	61%	0.61	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.1	172.3	-67.3	-35	0	0	0	109.6	Q395 T396	N391-Q395 WeakPolarHBondContact CA-O 3.27Å; N391-T396 WeakPolarHBondContact OD1-CA 3.47Å; N391-T396 WeakPolarHBondContact OD1-CB 3.42Å; N391-T396 PolarHBondContact OD1-OG1 3.19Å
392	L	72.3	Confident	84.7	Confident	103 Å²	103	68.1 Å²	68.1	54%	0.539	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.7	172.9	-63.5	-179.8	0	0	0	108.7	V390 G394 Q395 V397	V390-L392 HydrophobicContact CG1-CD2 3.97Å; V390-L392 HydrophobicContact CG1-CG 4.07Å; L392-G394 PolarHBondContact O-N 2.93Å; L392-Q395 PolarHBondContact N-O 3.18Å; L392-Q395 PolarHBondContact O-N 3.08Å; L392-Q395 VanDerWaalsContact O-O 3.14Å; L392-V397 HydrophobicContact CB-CG2 4.29Å; L392-V397 HydrophobicContact CD1-CG2 3.94Å; L392-V397 HydrophobicContact CG-CG2 4.11Å
393	D	75.2	Confident	85.2	Confident	174 Å²	174	64.6 Å²	64.6	93%	0.93	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	32.6	178.4	-55.1	-38.9	0	0	0	115	Q395	D393-Q395 VanDerWaalsContact C-N 3.32Å
394	G	76.5	Confident	85.5	Confident	76 Å²	76	61.2 Å²	61.2	78%	0.784	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1.8	-178.1	0	0	0	0	0	115.1	L392	L392-G394 PolarHBondContact O-N 2.93Å
395	Q	78.1	Confident	85.5	Confident	141 Å²	141	58.4 Å²	58.4	66%	0.659	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.6	172.4	-58.6	-170	15.1	0	0	110.9	N391 L392 D393 V397	N391-Q395 WeakPolarHBondContact CA-O 3.27Å; L392-Q395 PolarHBondContact N-O 3.18Å; L392-Q395 PolarHBondContact O-N 3.08Å; L392-Q395 VanDerWaalsContact O-O 3.14Å; D393-Q395 VanDerWaalsContact C-N 3.32Å; Q395-V397 HydrophobicContact CB-CG1 4.35Å; Q395-V397 PolarHBondContact O-N 3.24Å
396	T	79.4	Confident	85.6	Confident	86 Å²	86	55.9 Å²	55.9	53%	0.528	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109	173.2	-53	0	0	0	0	109	W389 N391	W389-T396 HydrophobicContact CB-CG2 3.67Å; W389-T396 HydrophobicContact CD2-CG2 4.16Å; W389-T396 HydrophobicContact CE3-CG2 4.03Å; W389-T396 HydrophobicContact CG-CG2 4.01Å; N391-T396 WeakPolarHBondContact OD1-CA 3.47Å; N391-T396 WeakPolarHBondContact OD1-CB 3.42Å; N391-T396 PolarHBondContact OD1-OG1 3.19Å
397	V	80.9	Confident	85.7	Confident	50 Å²	50	57 Å²	57	30%	0.303	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	159.6	-178.4	-63.6	0	0	0	0	110.7	W389 V390 L392 Q395	W389-V397 CarbonylContact C-O 3.55Å; W389-V397 WeakPolarHBondContact CA-O 3.24Å; V390-V397 PolarHBondContact N-O 2.96Å; V390-V397 PolarHBondContact O-N 3Å; L392-V397 HydrophobicContact CB-CG2 4.29Å; L392-V397 HydrophobicContact CD1-CG2 3.94Å; L392-V397 HydrophobicContact CG-CG2 4.11Å; Q395-V397 HydrophobicContact CB-CG1 4.35Å; Q395-V397 PolarHBondContact O-N 3.24Å
398	L	78.1	Confident	85.8	Confident	71 Å²	71	56.4 Å²	56.4	37%	0.372	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	143.1	169.9	-85.1	134.5	0	0	0	109.4	T387 W389 N400	T387-L398 HydrophobicContact CG2-CD2 3.4Å; T387-L398 VanDerWaalsContact CG2-CD2 3.4Å; T387-L398 HydrophobicContact CG2-CG 4.16Å; W389-L398 HydrophobicContact CE3-CG 4.33Å; W389-L398 HydrophobicContact CH2-CD1 4.12Å; W389-L398 HydrophobicContact CH2-CG 4.06Å; W389-L398 HydrophobicContact CZ3-CD1 4.21Å; W389-L398 HydrophobicContact CZ3-CG 3.91Å; L398-N400 VanDerWaalsContact CB-OD1 3.3Å; L398-N400 WeakPolarHBondContact CB-OD1 3.4Å; L398-N400 PolarHBondContact O-N 3.49Å
399	S	78.4	Confident	86.1	Confident	17 Å²	17	56.6 Å²	56.6	12%	0.119	31%	0.311	C	S	.	.			trans	-59.2	-33.5	173.7	65.3	0	0	0	0	111.9	S364 H388 K401	S364-S399 WeakPolarHBondContact CB-OG 3.25Å; S364-S399 PolarHBondContact OG-OG 3.15Å; H388-S399 VanDerWaalsContact O-CB 3.23Å; H388-S399 WeakPolarHBondContact O-CB 3.31Å; H388-S399 PolarHBondContact O-N 2.65Å; H388-S399 PolarHBondContact O-OG 3.41Å; S399-K401 VanDerWaalsContact O-CG 3.31Å; S399-K401 WeakPolarHBondContact O-CG 3.43Å; S399-K401 PolarHBondContact O-N 2.96Å; S399-K401 PolarHBondContact OG-N 3.19Å; S399-K401 VanDerWaalsContact OG-N 3.13Å; S399-K401 PolarHBondContact OG-O 3.31Å; S399-K401 VanDerWaalsContact OG-O 3.05Å
400	N	80.9	Confident	86.4	Confident	98 Å²	98	53 Å²	53	52%	0.524	31%	0.305	S	S	.	.			trans	48.6	42.9	-164.6	-63.2	-10.6	0	0	0	110.4	S364 L398	S364-N400 VanDerWaalsContact OG-CA 3.32Å; S364-N400 WeakPolarHBondContact OG-CA 3.47Å; L398-N400 VanDerWaalsContact CB-OD1 3.3Å; L398-N400 WeakPolarHBondContact CB-OD1 3.4Å; L398-N400 PolarHBondContact O-N 3.49Å
401	K	86.6	Confident	87	Confident	23 Å²	23	56.2 Å²	56.2	10%	0.1	32%	0.322	C	S	.	.			trans	-146.7	130.3	-172.5	-69.2	-74.6	156.2	-76.6	0	109.6	S2 S364 S399 Y420 D421	S2-K401 VanDerWaalsContact CB-CE 3.48Å; S2-K401 WeakPolarHBondContact OG-CE 3.28Å; S2-K401 PolarHBondContact OG-NZ 2.74Å; S364-K401 PolarHBondContact OG-N 3.24Å; S364-K401 PolarHBondContact OG-O 2.83Å; S399-K401 VanDerWaalsContact O-CG 3.31Å; S399-K401 WeakPolarHBondContact O-CG 3.43Å; S399-K401 PolarHBondContact O-N 2.96Å; S399-K401 PolarHBondContact OG-N 3.19Å; S399-K401 VanDerWaalsContact OG-N 3.13Å; S399-K401 PolarHBondContact OG-O 3.31Å; S399-K401 VanDerWaalsContact OG-O 3.05Å; K401-Y420 HydrophobicContact CD-CD1 3.8Å; K401-Y420 HydrophobicContact CD-CG 4.41Å; K401-D421 HydrophobicContact CB-CB 3.99Å; K401-D421 HydrophobicContact CG-CB 4.03Å
402	D	92	Very high	87.9	Confident	23 Å²	23	51 Å²	51	12%	0.123	30%	0.295	C	S	.	.			trans	-52.9	144.1	-173.6	-47.4	49.4	0	0	0	112.9	F346 T404 S419 Y420	F346-D402 HydrophobicContact CE2-CB 4.02Å; F346-D402 VanDerWaalsContact CE2-OD2 3.31Å; F346-D402 WeakPolarHBondContact CE2-OD2 3.05Å; D402-T404 HydrophobicContact CB-CG2 4.26Å; D402-T404 PolarHBondContact O-N 2.92Å; D402-S419 CarbonylContact O-C 3.49Å; D402-S419 WeakPolarHBondContact O-CA 3.45Å; D402-S419 WeakPolarHBondContact O-CB 3.23Å; D402-Y420 PolarHBondContact O-N 2.78Å
403	V	96.6	Very high	89	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.1	164.5	-172.5	0	0	0	0	108.2	I347 S361 T365 A366 T417	I347-V403 HydrophobicContact CD1-CG1 4.41Å; S361-V403 PolarHBondContact O-N 3.4Å; T365-V403 WeakPolarHBondContact O-CG2 3.46Å; A366-V403 HydrophobicContact CB-CG1 4.41Å; V403-T417 HydrophobicContact CG1-CG2 4.22Å
404	T	95.8	Very high	90.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-27.5	-167.3	56.9	0	0	0	0	113.3	A238 D402 G418 Y420 I444	A238-T404 HydrophobicContact CB-CG2 3.55Å; D402-T404 HydrophobicContact CB-CG2 4.26Å; D402-T404 PolarHBondContact O-N 2.92Å; T404-G418 PolarHBondContact N-O 3.31Å; T404-G418 PolarHBondContact OG1-O 2.93Å; T404-Y420 HydrophobicContact CG2-CD2 3.93Å; T404-Y420 HydrophobicContact CG2-CG 4.48Å; T404-I444 VanDerWaalsContact CB-O 3.31Å; T404-I444 WeakPolarHBondContact CB-O 3.31Å; T404-I444 PolarHBondContact OG1-O 3.08Å
405	S	96.9	Very high	91.1	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	148.5	-179	48.2	0	0	0	0	111.4	I347 T417 G418 F445	I347-S405 VanDerWaalsContact CD1-C 3.42Å; I347-S405 VanDerWaalsContact CD1-CA 3.45Å; S405-T417 CarbonylContact O-C 3.45Å; S405-T417 VanDerWaalsContact O-CA 3.29Å; S405-T417 WeakPolarHBondContact O-CA 3.35Å; S405-G418 PolarHBondContact N-O 3.32Å; S405-G418 PolarHBondContact O-N 3.02Å; S405-G418 WeakPolarHBondContact OG-CA 3.38Å; S405-F445 WeakPolarHBondContact CB-O 3.27Å
406	L	98	Very high	92.1	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.063	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.2	172.5	66.7	79.2	0	0	0	111.4	I347 A349 A358 S359 L415 A416 T417	I347-L406 HydrophobicContact CB-CG 4.45Å; I347-L406 HydrophobicContact CD1-CB 4.09Å; I347-L406 HydrophobicContact CD1-CD2 3.83Å; I347-L406 HydrophobicContact CD1-CG 3.72Å; I347-L406 HydrophobicContact CG1-CD2 3.76Å; I347-L406 HydrophobicContact CG1-CG 3.98Å; A349-L406 HydrophobicContact CB-CD1 3.49Å; A349-L406 VanDerWaalsContact CB-CD1 3.49Å; A358-L406 HydrophobicContact CB-CD1 4.06Å; A358-L406 HydrophobicContact CB-CD2 4.22Å; S359-L406 VanDerWaalsContact C-CD2 3.41Å; L406-L415 HydrophobicContact CB-CD1 4.27Å; L406-L415 HydrophobicContact CD1-CD1 4.21Å; L406-A416 CarbonylContact C-O 3.6Å; L406-A416 VanDerWaalsContact CA-O 3.23Å; L406-A416 WeakPolarHBondContact CA-O 3.21Å; L406-T417 HydrophobicContact CB-CG2 4.02Å
407	D	98.5	Very high	93	Very high	26 Å²	26	28.4 Å²	28.4	14%	0.139	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	134.7	-179	-158.2	50.5	0	0	0	111.8	A416 L447 K448 W449	D407-A416 PolarHBondContact N-O 2.67Å; D407-A416 PolarHBondContact O-N 3.29Å; D407-L447 HydrophobicContact CB-CD2 3.89Å; D407-K448 IonicContact OD1-NZ 2.73Å; D407-K448 PolarHBondContact OD1-NZ 2.86Å; D407-K448 WeakPolarHBondContact OD2-CA 3.45Å; D407-W449 VanDerWaalsContact O-CD1 3.3Å; D407-W449 PolarHBondContact O-NE1 3.46Å; D407-W449 PolarHBondContact OD2-N 2.92Å
408	W	98.4	Very high	93.7	Very high	17 Å²	17	26 Å²	26	6%	0.064	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.2	173.5	-72.1	103.7	0	0	0	110.6	A349 W350 N351 P352 A358 I368 L415 T429 W449	A349-W408 PolarHBondContact O-NE1 2.83Å; W350-W408 VanDerWaalsContact O-CD1 3.24Å; N351-W408 HydrophobicContact CB-CD2 4.23Å; N351-W408 HydrophobicContact CB-CZ2 4.14Å; N351-W408 VanDerWaalsContact ND2-CE3 3.34Å; N351-W408 VanDerWaalsContact ND2-CZ3 3.3Å; N351-W408 WeakPolarHBondContact ND2-CZ3 3.2Å; P352-W408 HydrophobicContact CG-CB 4.49Å; A358-W408 HydrophobicContact CB-CZ2 3.85Å; I368-W408 HydrophobicContact CD1-CH2 3.97Å; I368-W408 HydrophobicContact CG1-CH2 4.33Å; I368-W408 HydrophobicContact CG1-CZ2 4.46Å; I368-W408 HydrophobicContact CG2-CH2 4.35Å; W408-L415 HydrophobicContact CD2-CB 4.31Å; W408-L415 HydrophobicContact CD2-CD1 3.92Å; W408-L415 HydrophobicContact CE3-CB 3.91Å; W408-L415 HydrophobicContact CE3-CD1 4.39Å; W408-L415 HydrophobicContact CG-CD1 4.16Å; W408-L415 HydrophobicContact CH2-CB 4.22Å; W408-L415 HydrophobicContact CZ2-CD1 4.45Å; W408-L415 HydrophobicContact CZ3-CB 3.85Å; W408-T429 HydrophobicContact CH2-CG2 4.24Å; W408-T429 HydrophobicContact CZ3-CG2 3.82Å; W408-W449 VanDerWaalsContact C-CD1 3.47Å
409	N	97.6	Very high	94.5	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.027	13%	0.126	C	C	.	.			trans	-68.5	160.5	170.6	80.4	-31.1	0	0	0	111.2	P352 D411 G412 S413 F414 W449	P352-N409 WeakPolarHBondContact CG-O 3.37Å; N409-D411 PolarHBondContact ND2-OD1 3.01Å; N409-D411 PolarHBondContact O-N 2.82Å; N409-D411 PolarHBondContact OD1-OD1 2.76Å; N409-G412 PolarHBondContact O-N 2.86Å; N409-G412 WeakPolarHBondContact OD1-CA 3.4Å; N409-G412 PolarHBondContact OD1-N 3.4Å; N409-G412 VanDerWaalsContact OD1-N 3.08Å; N409-S413 PolarHBondContact ND2-OG 2.88Å; N409-S413 PolarHBondContact OD1-N 2.98Å; N409-F414 PolarHBondContact N-O 2.97Å; N409-F414 PolarHBondContact OD1-N 2.9Å; N409-F414 PolarHBondContact OD1-O 2.95Å; N409-W449 HydrophobicContact CB-CD2 3.58Å; N409-W449 HydrophobicContact CB-CE3 3.86Å; N409-W449 HydrophobicContact CB-CG 3.96Å; N409-W449 HydrophobicContact CB-CH2 4.22Å; N409-W449 HydrophobicContact CB-CZ2 3.99Å; N409-W449 HydrophobicContact CB-CZ3 4.15Å
410	S	93.5	Very high	95.3	Very high	52 Å²	52	25.1 Å²	25.1	36%	0.364	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.6	-168.3	-49.3	0	0	0	0	116.5	R353 K451	R353-S410 PolarHBondContact NE-O 2.83Å; R353-S410 PolarHBondContact NH2-O 3.14Å; S410-K451 PolarHBondContact OG-O 3.1Å
411	D	95	Very high	95.7	Very high	83 Å²	83	21.4 Å²	21.4	44%	0.444	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-2.9	169.9	66	25.9	0	0	0	114.6	R353 N409 S413	R353-D411 WeakPolarHBondContact CG-O 3.41Å; N409-D411 PolarHBondContact ND2-OD1 3.01Å; N409-D411 PolarHBondContact O-N 2.82Å; N409-D411 PolarHBondContact OD1-OD1 2.76Å; D411-S413 VanDerWaalsContact C-N 3.28Å; D411-S413 PolarHBondContact O-N 2.8Å; D411-S413 VanDerWaalsContact OD1-CB 3.3Å; D411-S413 WeakPolarHBondContact OD1-CB 3.48Å; D411-S413 PolarHBondContact OD1-N 3.07Å; D411-S413 PolarHBondContact OD1-OG 3Å
412	G	96.4	Very high	96.1	Very high	4 Å²	4	20.3 Å²	20.3	4%	0.041	11%	0.109	C	C	.	.	S	Bend	trans	73.8	10.8	177.1	0	0	0	0	0	114.9	N351 N409 T429	N351-G412 VanDerWaalsContact ND2-CA 3.35Å; N351-G412 WeakPolarHBondContact ND2-CA 3.24Å; N351-G412 PolarHBondContact ND2-O 3.15Å; N409-G412 PolarHBondContact O-N 2.86Å; N409-G412 WeakPolarHBondContact OD1-CA 3.4Å; N409-G412 PolarHBondContact OD1-N 3.4Å; N409-G412 VanDerWaalsContact OD1-N 3.08Å; G412-T429 WeakPolarHBondContact O-CG2 3.27Å
413	S	96.4	Very high	96.2	Very high	42 Å²	42	21.1 Å²	21.1	29%	0.294	11%	0.111	S	C	.	.	S	Bend	trans	-78.1	-24.6	176.8	57.9	0	0	0	0	113.9	N409 D411	N409-S413 PolarHBondContact ND2-OG 2.88Å; N409-S413 PolarHBondContact OD1-N 2.98Å; D411-S413 VanDerWaalsContact C-N 3.28Å; D411-S413 PolarHBondContact O-N 2.8Å; D411-S413 VanDerWaalsContact OD1-CB 3.3Å; D411-S413 WeakPolarHBondContact OD1-CB 3.48Å; D411-S413 PolarHBondContact OD1-N 3.07Å; D411-S413 PolarHBondContact OD1-OG 3Å
414	F	97.5	Very high	96.1	Very high	63 Å²	63	21.1 Å²	21.1	28%	0.276	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.9	-179.8	-64.2	-77.5	0	0	0	112.7	N409 V426 W427 N428 A434 W449	N409-F414 PolarHBondContact N-O 2.97Å; N409-F414 PolarHBondContact OD1-N 2.9Å; N409-F414 PolarHBondContact OD1-O 2.95Å; F414-V426 HydrophobicContact CB-CG1 4.02Å; F414-V426 HydrophobicContact CD1-CG1 3.9Å; F414-V426 HydrophobicContact CG-CG1 4.2Å; F414-W427 WeakPolarHBondContact CA-O 3.3Å; F414-N428 WeakPolarHBondContact CE1-OD1 3.22Å; F414-A434 HydrophobicContact CD1-CB 4.38Å; F414-A434 HydrophobicContact CE1-CB 4.1Å; F414-W449 HydrophobicContact CB-CH2 3.85Å; F414-W449 HydrophobicContact CB-CZ2 3.64Å; F414-W449 HydrophobicContact CG-CH2 4.42Å
415	L	98.3	Very high	96.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.1	164.7	179.5	67.2	0	0	0	108.1	A358 I368 L386 L406 W408 T417 V426 W427	A358-L415 HydrophobicContact CB-CD1 3.82Å; A358-L415 HydrophobicContact CB-CD2 3.85Å; I368-L415 HydrophobicContact CD1-CD2 4.07Å; I368-L415 HydrophobicContact CG1-CD2 4.03Å; L386-L415 HydrophobicContact CD2-CD2 3.92Å; L406-L415 HydrophobicContact CB-CD1 4.27Å; L406-L415 HydrophobicContact CD1-CD1 4.21Å; W408-L415 HydrophobicContact CD2-CB 4.31Å; W408-L415 HydrophobicContact CD2-CD1 3.92Å; W408-L415 HydrophobicContact CE3-CB 3.91Å; W408-L415 HydrophobicContact CE3-CD1 4.39Å; W408-L415 HydrophobicContact CG-CD1 4.16Å; W408-L415 HydrophobicContact CH2-CB 4.22Å; W408-L415 HydrophobicContact CZ2-CD1 4.45Å; W408-L415 HydrophobicContact CZ3-CB 3.85Å; L415-T417 HydrophobicContact CD2-CG2 4.3Å; L415-T417 HydrophobicContact CG-CG2 4.29Å; L415-V426 CarbonylContact O-C 3.5Å; L415-V426 WeakPolarHBondContact O-CA 3.28Å; L415-W427 PolarHBondContact N-O 3.19Å; L415-W427 PolarHBondContact O-N 2.89Å
416	A	98.2	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147.7	166.2	0	0	0	0	0	109.9	L406 D407 R425 V426 L447 W449 I456	L406-A416 CarbonylContact C-O 3.6Å; L406-A416 VanDerWaalsContact CA-O 3.23Å; L406-A416 WeakPolarHBondContact CA-O 3.21Å; D407-A416 PolarHBondContact N-O 2.67Å; D407-A416 PolarHBondContact O-N 3.29Å; A416-R425 CarbonylContact C-O 3.43Å; A416-R425 VanDerWaalsContact CA-O 3.27Å; A416-R425 WeakPolarHBondContact CA-O 3.25Å; A416-V426 HydrophobicContact CB-CG2 4.37Å; A416-L447 HydrophobicContact CB-CD1 4.28Å; A416-L447 HydrophobicContact CB-CD2 3.53Å; A416-W449 HydrophobicContact CB-CZ2 3.9Å; A416-W449 VanDerWaalsContact CB-NE1 3.34Å; A416-I456 HydrophobicContact CB-CD1 3.92Å
417	T	98.1	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.6	176.7	61.4	0	0	0	0	110.7	A366 H388 V403 S405 L406 L415 A424 R425 W427	A366-T417 HydrophobicContact CB-CG2 3.93Å; H388-T417 PolarHBondContact CE1-OG1 3.38Å; H388-T417 WeakPolarHBondContact NE2-CB 3.43Å; H388-T417 PolarHBondContact NE2-OG1 3.14Å; V403-T417 HydrophobicContact CG1-CG2 4.22Å; S405-T417 CarbonylContact O-C 3.45Å; S405-T417 VanDerWaalsContact O-CA 3.29Å; S405-T417 WeakPolarHBondContact O-CA 3.35Å; L406-T417 HydrophobicContact CB-CG2 4.02Å; L415-T417 HydrophobicContact CD2-CG2 4.3Å; L415-T417 HydrophobicContact CG-CG2 4.29Å; T417-A424 CarbonylContact O-C 3.52Å; T417-A424 VanDerWaalsContact O-CA 3.26Å; T417-A424 WeakPolarHBondContact O-CA 3.34Å; T417-R425 PolarHBondContact N-O 3.28Å; T417-R425 PolarHBondContact O-N 3.36Å; T417-W427 PolarHBondContact OG1-NE1 3.17Å
418	G	96.6	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	151.5	166.7	0	0	0	0	0	109.8	T404 S405	T404-G418 PolarHBondContact N-O 3.31Å; T404-G418 PolarHBondContact OG1-O 2.93Å; S405-G418 PolarHBondContact N-O 3.32Å; S405-G418 PolarHBondContact O-N 3.02Å; S405-G418 WeakPolarHBondContact OG-CA 3.38Å
419	S	95.6	Very high	95.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	166.2	-176.3	41.4	0	0	0	0	114	D402 D421 G422 F423 R425 I444	D402-S419 CarbonylContact O-C 3.49Å; D402-S419 WeakPolarHBondContact O-CA 3.45Å; D402-S419 WeakPolarHBondContact O-CB 3.23Å; S419-D421 WeakPolarHBondContact CB-OD1 3.38Å; S419-D421 PolarHBondContact O-N 2.93Å; S419-D421 VanDerWaalsContact O-N 3.17Å; S419-D421 VanDerWaalsContact OG-CG 3.32Å; S419-D421 PolarHBondContact OG-OD1 3.14Å; S419-G422 PolarHBondContact O-N 2.99Å; S419-F423 PolarHBondContact N-O 3.39Å; S419-F423 PolarHBondContact OG-O 2.96Å; S419-R425 PolarHBondContact OG-NH1 3.02Å; S419-I444 PolarHBondContact O-N 2.8Å
420	Y	93.4	Very high	95.7	Very high	70 Å²	70	27 Å²	27	28%	0.275	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.5	-176.4	-149.6	-86.7	0	0	0	113.1	A238 I240 K401 D402 T404 G422 P443	A238-Y420 HydrophobicContact CB-CD2 4.36Å; I240-Y420 HydrophobicContact CD1-CD2 3.99Å; I240-Y420 HydrophobicContact CD1-CE1 4.29Å; I240-Y420 HydrophobicContact CD1-CE2 3.58Å; K401-Y420 HydrophobicContact CD-CD1 3.8Å; K401-Y420 HydrophobicContact CD-CG 4.41Å; D402-Y420 PolarHBondContact O-N 2.78Å; T404-Y420 HydrophobicContact CG2-CD2 3.93Å; T404-Y420 HydrophobicContact CG2-CG 4.48Å; Y420-G422 VanDerWaalsContact C-N 3.26Å; Y420-P443 HydrophobicContact CD1-CG 3.5Å; Y420-P443 HydrophobicContact CD2-CB 3.94Å; Y420-P443 HydrophobicContact CD2-CG 3.62Å; Y420-P443 HydrophobicContact CE1-CG 3.48Å; Y420-P443 VanDerWaalsContact CE1-CG 3.48Å; Y420-P443 HydrophobicContact CE2-CB 4.12Å; Y420-P443 HydrophobicContact CE2-CG 3.6Å; Y420-P443 HydrophobicContact CG-CB 4.16Å; Y420-P443 HydrophobicContact CG-CG 3.57Å
421	D	91.1	Very high	95.7	Very high	19 Å²	19	25.3 Å²	25.3	10%	0.102	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.7	168.4	63.3	2.9	0	0	0	113.6	V390 K401 S419 F423 R425 Q439	V390-D421 HydrophobicContact CG2-CB 4.45Å; V390-D421 WeakPolarHBondContact CG2-OD2 3.47Å; K401-D421 HydrophobicContact CB-CB 3.99Å; K401-D421 HydrophobicContact CG-CB 4.03Å; S419-D421 WeakPolarHBondContact CB-OD1 3.38Å; S419-D421 PolarHBondContact O-N 2.93Å; S419-D421 VanDerWaalsContact O-N 3.17Å; S419-D421 VanDerWaalsContact OG-CG 3.32Å; S419-D421 PolarHBondContact OG-OD1 3.14Å; D421-F423 VanDerWaalsContact C-N 3.33Å; D421-F423 HydrophobicContact CB-CD2 4.21Å; D421-F423 PolarHBondContact OD1-N 2.87Å; D421-R425 IonicContact OD1-NH1 3.02Å; D421-R425 IonicContact OD2-CZ 3.15Å; D421-R425 IonicContact OD2-NH1 3.97Å; D421-R425 PolarHBondContact OD2-NH1 2.88Å; D421-R425 VanDerWaalsContact OD2-NH1 3.11Å; D421-R425 IonicContact OD2-NH2 2.67Å; D421-R425 PolarHBondContact OD2-NH2 2.88Å; D421-Q439 PolarHBondContact O-NE2 3.05Å
422	G	93.5	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	84.1	-3.9	-177.9	0	0	0	0	0	115.1	S419 Y420 Q439 H440 G442 I444	S419-G422 PolarHBondContact O-N 2.99Å; Y420-G422 VanDerWaalsContact C-N 3.26Å; G422-Q439 CarbonylContact O-C 3.48Å; G422-Q439 WeakPolarHBondContact O-CA 3.16Å; G422-H440 PolarHBondContact O-N 3.43Å; G422-G442 WeakPolarHBondContact CA-O 3.18Å; G422-I444 WeakPolarHBondContact O-CD1 3.23Å
423	F	94.5	Very high	95.7	Very high	40 Å²	40	33.3 Å²	33.3	18%	0.175	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.4	177	-74.1	-83.2	0	0	0	111.2	V390 S419 D421 T436 Q439	V390-F423 HydrophobicContact CG1-CE2 4Å; V390-F423 HydrophobicContact CG2-CD2 4.35Å; V390-F423 HydrophobicContact CG2-CE2 4.41Å; S419-F423 PolarHBondContact N-O 3.39Å; S419-F423 PolarHBondContact OG-O 2.96Å; D421-F423 VanDerWaalsContact C-N 3.33Å; D421-F423 HydrophobicContact CB-CD2 4.21Å; D421-F423 PolarHBondContact OD1-N 2.87Å; F423-T436 HydrophobicContact CB-CG2 4.41Å; F423-T436 HydrophobicContact CD1-CG2 3.68Å; F423-T436 HydrophobicContact CE1-CG2 4.35Å; F423-T436 HydrophobicContact CG-CG2 4.34Å; F423-Q439 HydrophobicContact CD1-CB 3.96Å; F423-Q439 HydrophobicContact CD1-CG 4.38Å; F423-Q439 HydrophobicContact CD2-CG 4.17Å; F423-Q439 HydrophobicContact CE1-CB 3.83Å; F423-Q439 HydrophobicContact CE1-CG 4.3Å; F423-Q439 VanDerWaalsContact CE2-CD 3.43Å; F423-Q439 HydrophobicContact CE2-CG 4.09Å; F423-Q439 VanDerWaalsContact CE2-NE2 3.34Å; F423-Q439 HydrophobicContact CG-CB 4.36Å; F423-Q439 HydrophobicContact CG-CG 4.32Å; F423-Q439 HydrophobicContact CZ-CB 4.12Å; F423-Q439 HydrophobicContact CZ-CG 4.15Å
424	A	95.6	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144.6	160.5	0	0	0	0	0	110.6	T417 L437 I444 L447 T458	T417-A424 CarbonylContact O-C 3.52Å; T417-A424 VanDerWaalsContact O-CA 3.26Å; T417-A424 WeakPolarHBondContact O-CA 3.34Å; A424-L437 HydrophobicContact CB-CB 4.04Å; A424-L437 HydrophobicContact CB-CD1 3.77Å; A424-L437 HydrophobicContact CB-CG 4.19Å; A424-L437 WeakPolarHBondContact O-CA 3.24Å; A424-L437 WeakPolarHBondContact O-CB 3.4Å; A424-L437 PolarHBondContact O-N 2.81Å; A424-I444 HydrophobicContact CB-CD1 3.69Å; A424-L447 HydrophobicContact CB-CD1 3.84Å; A424-T458 HydrophobicContact CB-CG2 4.1Å
425	R	95.5	Very high	95.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.3	-176.1	-66.9	175.8	-176.2	83.3	-8.5	110.1	H388 W389 A416 T417 S419 D421 W427 L433 T436	H388-R425 PolarHBondContact CD2-NH1 3.26Å; W389-R425 PolarHBondContact O-NH2 2.85Å; A416-R425 CarbonylContact C-O 3.43Å; A416-R425 VanDerWaalsContact CA-O 3.27Å; A416-R425 WeakPolarHBondContact CA-O 3.25Å; T417-R425 PolarHBondContact N-O 3.28Å; T417-R425 PolarHBondContact O-N 3.36Å; S419-R425 PolarHBondContact OG-NH1 3.02Å; D421-R425 IonicContact OD1-NH1 3.02Å; D421-R425 IonicContact OD2-CZ 3.15Å; D421-R425 IonicContact OD2-NH1 3.97Å; D421-R425 PolarHBondContact OD2-NH1 2.88Å; D421-R425 VanDerWaalsContact OD2-NH1 3.11Å; D421-R425 IonicContact OD2-NH2 2.67Å; D421-R425 PolarHBondContact OD2-NH2 2.88Å; R425-W427 HydrophobicContact CB-CZ2 4.01Å; R425-W427 HydrophobicContact CG-CZ2 4.44Å; R425-L433 HydrophobicContact CB-CD1 3.82Å; R425-L433 HydrophobicContact CG-CD1 4.12Å; R425-T436 HydrophobicContact CG-CG2 4.02Å
426	V	97	Very high	94.9	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.024	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.1	176.8	-177	0	0	0	0	108.9	F414 L415 A416 A434 T435 L437 W449 I456	F414-V426 HydrophobicContact CB-CG1 4.02Å; F414-V426 HydrophobicContact CD1-CG1 3.9Å; F414-V426 HydrophobicContact CG-CG1 4.2Å; L415-V426 CarbonylContact O-C 3.5Å; L415-V426 WeakPolarHBondContact O-CA 3.28Å; A416-V426 HydrophobicContact CB-CG2 4.37Å; V426-A434 HydrophobicContact CG1-CB 4.39Å; V426-A434 WeakPolarHBondContact O-CA 3.27Å; V426-A434 WeakPolarHBondContact O-CB 3.48Å; V426-A434 PolarHBondContact O-N 2.75Å; V426-T435 HydrophobicContact CB-CG2 3.81Å; V426-T435 HydrophobicContact CG2-CG2 3.95Å; V426-T435 PolarHBondContact N-O 3.19Å; V426-T435 PolarHBondContact O-N 2.88Å; V426-L437 HydrophobicContact CG2-CD1 4.25Å; V426-L437 HydrophobicContact CG2-CD2 4.1Å; V426-L437 HydrophobicContact CG2-CG 4.24Å; V426-W449 HydrophobicContact CG1-CH2 4Å; V426-W449 HydrophobicContact CG1-CZ2 3.96Å; V426-I456 HydrophobicContact CG2-CD1 3.5Å
427	W	97.5	Very high	94.4	Very high	11 Å²	11	35.6 Å²	35.6	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.1	-171	-48.5	84.5	0	0	0	110.2	L386 T387 H388 F414 L415 T417 R425 R432 L433	L386-W427 HydrophobicContact CB-CD2 4.02Å; L386-W427 HydrophobicContact CB-CE3 3.82Å; L386-W427 HydrophobicContact CB-CH2 4.05Å; L386-W427 HydrophobicContact CB-CZ2 4.22Å; L386-W427 HydrophobicContact CB-CZ3 3.83Å; L386-W427 HydrophobicContact CD2-CB 3.75Å; L386-W427 HydrophobicContact CD2-CD2 3.7Å; L386-W427 HydrophobicContact CD2-CE3 3.99Å; L386-W427 HydrophobicContact CD2-CG 3.59Å; L386-W427 HydrophobicContact CG-CD2 3.9Å; L386-W427 HydrophobicContact CG-CE3 3.67Å; L386-W427 HydrophobicContact CG-CG 4.3Å; L386-W427 HydrophobicContact CG-CZ3 4.14Å; T387-W427 WeakPolarHBondContact O-CH2 3.42Å; H388-W427 AromaticContact CE1-CE2 4Å; H388-W427 AromaticContact CE1-CZ2 3.46Å; H388-W427 VanDerWaalsContact CE1-CZ2 3.46Å; H388-W427 WeakPolarHBondContact CE1-CZ2 3.49Å; H388-W427 AromaticContact ND1-CZ2 3.64Å; H388-W427 AromaticContact NE2-CZ2 3.96Å; F414-W427 WeakPolarHBondContact CA-O 3.3Å; L415-W427 PolarHBondContact N-O 3.19Å; L415-W427 PolarHBondContact O-N 2.89Å; T417-W427 PolarHBondContact OG1-NE1 3.17Å; R425-W427 HydrophobicContact CB-CZ2 4.01Å; R425-W427 HydrophobicContact CG-CZ2 4.44Å; W427-R432 WeakPolarHBondContact CA-O 3.26Å; W427-L433 HydrophobicContact CD2-CD1 4.03Å; W427-L433 HydrophobicContact CE3-CB 3.85Å; W427-L433 HydrophobicContact CE3-CD1 4.07Å; W427-L433 HydrophobicContact CH2-CB 4.45Å; W427-L433 HydrophobicContact CH2-CD1 4.05Å; W427-L433 HydrophobicContact CZ2-CD1 4.01Å; W427-L433 HydrophobicContact CZ3-CB 3.78Å; W427-L433 HydrophobicContact CZ3-CD1 4.09Å; W427-L433 HydrophobicContact CZ3-CG 4.46Å
428	N	96.5	Very high	93.5	Very high	49 Å²	49	36.8 Å²	36.8	26%	0.262	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	160.2	169	-58.4	-88	0	0	0	110	F414 D430 G431 R432	F414-N428 WeakPolarHBondContact CE1-OD1 3.22Å; N428-D430 VanDerWaalsContact CB-OD1 3.3Å; N428-D430 WeakPolarHBondContact CB-OD1 3.29Å; N428-D430 PolarHBondContact O-N 3.5Å; N428-D430 VanDerWaalsContact O-N 3.15Å; N428-G431 PolarHBondContact O-N 2.85Å; N428-R432 PolarHBondContact N-O 2.92Å; N428-R432 PolarHBondContact ND2-O 2.84Å
429	T	94.9	Very high	93	Very high	56 Å²	56	42.1 Å²	42.1	34%	0.344	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.2	172	44.2	0	0	0	0	114.8	M356 L384 W408 G412 G431	M356-T429 HydrophobicContact CE-CG2 4.29Å; L384-T429 VanDerWaalsContact CD1-O 3.28Å; L384-T429 WeakPolarHBondContact CD1-O 3.26Å; W408-T429 HydrophobicContact CH2-CG2 4.24Å; W408-T429 HydrophobicContact CZ3-CG2 3.82Å; G412-T429 WeakPolarHBondContact O-CG2 3.27Å; T429-G431 VanDerWaalsContact C-N 3.27Å
430	D	94.3	Very high	93	Very high	72 Å²	72	42.2 Å²	42.2	39%	0.385	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.2	172.4	78.2	-6.6	0	0	0	113.9	N428 R432	N428-D430 VanDerWaalsContact CB-OD1 3.3Å; N428-D430 WeakPolarHBondContact CB-OD1 3.29Å; N428-D430 PolarHBondContact O-N 3.5Å; N428-D430 VanDerWaalsContact O-N 3.15Å; D430-R432 VanDerWaalsContact C-N 3.33Å; D430-R432 WeakPolarHBondContact OD1-CB 3.34Å; D430-R432 VanDerWaalsContact OD1-CG 3.27Å; D430-R432 WeakPolarHBondContact OD1-CG 3.3Å; D430-R432 PolarHBondContact OD1-N 3.19Å; D430-R432 VanDerWaalsContact OD2-CD 3.29Å; D430-R432 WeakPolarHBondContact OD2-CD 3.09Å; D430-R432 IonicContact OD2-CZ 3.74Å; D430-R432 IonicContact OD2-NE 3.01Å; D430-R432 IonicContact OD2-NH1 3.87Å; D430-R432 PolarHBondContact OD2-NH1 3.22Å
431	G	94.5	Very high	92.9	Very high	17 Å²	17	47.6 Å²	47.6	18%	0.175	25%	0.249	C	C	.	.	S	Bend	trans	84.3	-3.2	179.2	0	0	0	0	0	114.7	N428 T429	N428-G431 PolarHBondContact O-N 2.85Å; T429-G431 VanDerWaalsContact C-N 3.27Å
432	R	95.5	Very high	93	Very high	174 Å²	174	47.9 Å²	47.9	66%	0.657	26%	0.256	S	S	*	.			trans	-74.2	130.8	175.5	-65.4	176.8	175.5	135.1	-9.3	111.2	W427 N428 D430 A434	W427-R432 WeakPolarHBondContact CA-O 3.26Å; N428-R432 PolarHBondContact N-O 2.92Å; N428-R432 PolarHBondContact ND2-O 2.84Å; D430-R432 VanDerWaalsContact C-N 3.33Å; D430-R432 WeakPolarHBondContact OD1-CB 3.34Å; D430-R432 VanDerWaalsContact OD1-CG 3.27Å; D430-R432 WeakPolarHBondContact OD1-CG 3.3Å; D430-R432 PolarHBondContact OD1-N 3.19Å; D430-R432 VanDerWaalsContact OD2-CD 3.29Å; D430-R432 WeakPolarHBondContact OD2-CD 3.09Å; D430-R432 IonicContact OD2-CZ 3.74Å; D430-R432 IonicContact OD2-NE 3.01Å; D430-R432 IonicContact OD2-NH1 3.87Å; D430-R432 PolarHBondContact OD2-NH1 3.22Å; R432-A434 PolarHBondContact O-N 2.78Å
433	L	94.6	Very high	93.1	Very high	81 Å²	81	48.5 Å²	48.5	42%	0.424	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	115.6	166.9	-176.4	65	0	0	0	109.7	R425 W427 T435	R425-L433 HydrophobicContact CB-CD1 3.82Å; R425-L433 HydrophobicContact CG-CD1 4.12Å; W427-L433 HydrophobicContact CD2-CD1 4.03Å; W427-L433 HydrophobicContact CE3-CB 3.85Å; W427-L433 HydrophobicContact CE3-CD1 4.07Å; W427-L433 HydrophobicContact CH2-CB 4.45Å; W427-L433 HydrophobicContact CH2-CD1 4.05Å; W427-L433 HydrophobicContact CZ2-CD1 4.01Å; W427-L433 HydrophobicContact CZ3-CB 3.78Å; W427-L433 HydrophobicContact CZ3-CD1 4.09Å; W427-L433 HydrophobicContact CZ3-CG 4.46Å; L433-T435 WeakPolarHBondContact CD1-O 3.48Å
434	A	93.5	Very high	93.2	Very high	48 Å²	48	46.6 Å²	46.6	40%	0.397	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-43	178.3	0	0	0	0	0	111.4	F414 V426 R432	F414-A434 HydrophobicContact CD1-CB 4.38Å; F414-A434 HydrophobicContact CE1-CB 4.1Å; V426-A434 HydrophobicContact CG1-CB 4.39Å; V426-A434 WeakPolarHBondContact O-CA 3.27Å; V426-A434 WeakPolarHBondContact O-CB 3.48Å; V426-A434 PolarHBondContact O-N 2.75Å; R432-A434 PolarHBondContact O-N 2.78Å
435	T	92.1	Very high	93.2	Very high	39 Å²	39	47.1 Å²	47.1	24%	0.239	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	150.3	172.8	-176.3	0	0	0	0	111	V426 L433 L437	V426-T435 HydrophobicContact CB-CG2 3.81Å; V426-T435 HydrophobicContact CG2-CG2 3.95Å; V426-T435 PolarHBondContact N-O 3.19Å; V426-T435 PolarHBondContact O-N 2.88Å; L433-T435 WeakPolarHBondContact CD1-O 3.48Å; T435-L437 HydrophobicContact CG2-CD2 3.81Å
436	T	91.3	Very high	93.3	Very high	60 Å²	60	47.4 Å²	47.4	37%	0.368	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.7	161	-52.8	0	0	0	0	106.2	F423 R425	F423-T436 HydrophobicContact CB-CG2 4.41Å; F423-T436 HydrophobicContact CD1-CG2 3.68Å; F423-T436 HydrophobicContact CE1-CG2 4.35Å; F423-T436 HydrophobicContact CG-CG2 4.34Å; R425-T436 HydrophobicContact CG-CG2 4.02Å
437	L	87.2	Confident	93.3	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	178	170.8	-47.2	-176.7	0	0	0	108.8	A424 V426 T435 I456 W468	A424-L437 HydrophobicContact CB-CB 4.04Å; A424-L437 HydrophobicContact CB-CD1 3.77Å; A424-L437 HydrophobicContact CB-CG 4.19Å; A424-L437 WeakPolarHBondContact O-CA 3.24Å; A424-L437 WeakPolarHBondContact O-CB 3.4Å; A424-L437 PolarHBondContact O-N 2.81Å; V426-L437 HydrophobicContact CG2-CD1 4.25Å; V426-L437 HydrophobicContact CG2-CD2 4.1Å; V426-L437 HydrophobicContact CG2-CG 4.24Å; T435-L437 HydrophobicContact CG2-CD2 3.81Å; L437-I456 HydrophobicContact CD1-CB 4.37Å; L437-I456 HydrophobicContact CD1-CD1 3.85Å; L437-I456 HydrophobicContact CD1-CG2 4.31Å; L437-W468 HydrophobicContact CB-CD2 4.04Å; L437-W468 HydrophobicContact CB-CE3 4.02Å; L437-W468 HydrophobicContact CB-CG 4.44Å; L437-W468 HydrophobicContact CB-CZ3 4.46Å; L437-W468 HydrophobicContact CD1-CB 3.96Å; L437-W468 HydrophobicContact CD1-CD2 4.3Å; L437-W468 HydrophobicContact CD1-CG 3.83Å
438	G	78	Confident	93.4	Very high	26 Å²	26	49.8 Å²	49.8	27%	0.268	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	-175.2	175.6	0	0	0	0	0	113.5
439	Q	87.2	Confident	93.4	Very high	112 Å²	112	48.3 Å²	48.3	52%	0.523	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.8	-170.2	-172.8	175.7	22.9	0	0	111.5	D421 G422 F423	D421-Q439 PolarHBondContact O-NE2 3.05Å; G422-Q439 CarbonylContact O-C 3.48Å; G422-Q439 WeakPolarHBondContact O-CA 3.16Å; F423-Q439 HydrophobicContact CD1-CB 3.96Å; F423-Q439 HydrophobicContact CD1-CG 4.38Å; F423-Q439 HydrophobicContact CD2-CG 4.17Å; F423-Q439 HydrophobicContact CE1-CB 3.83Å; F423-Q439 HydrophobicContact CE1-CG 4.3Å; F423-Q439 VanDerWaalsContact CE2-CD 3.43Å; F423-Q439 HydrophobicContact CE2-CG 4.09Å; F423-Q439 VanDerWaalsContact CE2-NE2 3.34Å; F423-Q439 HydrophobicContact CG-CB 4.36Å; F423-Q439 HydrophobicContact CG-CG 4.32Å; F423-Q439 HydrophobicContact CZ-CB 4.12Å; F423-Q439 HydrophobicContact CZ-CG 4.15Å
440	H	94.3	Very high	93.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.241	C	C	.	.			trans	-69.7	153.8	161.2	-88.8	-88.3	0	0	0	110.5	G422 G442 I444 T458 D462 T464	G422-H440 PolarHBondContact O-N 3.43Å; H440-G442 CarbonylContact C-O 3.6Å; H440-G442 WeakPolarHBondContact CB-O 3.31Å; H440-G442 PolarHBondContact O-N 3.47Å; H440-I444 HydrophobicContact CB-CG1 4.15Å; H440-T458 PolarHBondContact CD2-OG1 2.98Å; H440-T458 WeakPolarHBondContact NE2-CB 3.32Å; H440-T458 PolarHBondContact NE2-OG1 3.36Å; H440-D462 WeakPolarHBondContact CA-OD2 3.09Å; H440-D462 IonicContact CE1-OD1 3.87Å; H440-D462 IonicContact CG-OD2 2.68Å; H440-D462 VanDerWaalsContact ND1-CG 3.3Å; H440-D462 IonicContact ND1-OD1 3.03Å; H440-D462 PolarHBondContact ND1-OD1 3.34Å; H440-D462 IonicContact ND1-OD2 2.91Å; H440-D462 PolarHBondContact ND1-OD2 3.24Å; H440-T464 PolarHBondContact CE1-OG1 2.65Å; H440-T464 PolarHBondContact ND1-OG1 3.34Å
441	K	93.3	Very high	93.6	Very high	184 Å²	184	50.2 Å²	50.2	80%	0.8	26%	0.258	S	S	*	.	S	Bend	trans	-78.6	69.3	180	-63	179	-179.3	175.8	0	111.7	D462	K441-D462 HydrophobicContact CB-CB 3.77Å; K441-D462 PolarHBondContact N-OD2 2.72Å
442	G	92.1	Very high	93.6	Very high	24 Å²	24	56.3 Å²	56.3	25%	0.247	28%	0.28	C	S	.	.	S	Bend	trans	109	-173.2	-170.2	0	0	0	0	0	111.7	G422 H440	G422-G442 WeakPolarHBondContact CA-O 3.18Å; H440-G442 CarbonylContact C-O 3.6Å; H440-G442 WeakPolarHBondContact CB-O 3.31Å; H440-G442 PolarHBondContact O-N 3.47Å
443	P	95.1	Very high	93.6	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.091	26%	0.259	C	S	.	.			trans	-43.6	135.6	-174.3	-34.3	33.9	0	0	0	116.4	Y420 F445 G460 V461	Y420-P443 HydrophobicContact CD1-CG 3.5Å; Y420-P443 HydrophobicContact CD2-CB 3.94Å; Y420-P443 HydrophobicContact CD2-CG 3.62Å; Y420-P443 HydrophobicContact CE1-CG 3.48Å; Y420-P443 VanDerWaalsContact CE1-CG 3.48Å; Y420-P443 HydrophobicContact CE2-CB 4.12Å; Y420-P443 HydrophobicContact CE2-CG 3.6Å; Y420-P443 HydrophobicContact CG-CB 4.16Å; Y420-P443 HydrophobicContact CG-CG 3.57Å; P443-F445 HydrophobicContact CB-CD1 4.33Å; P443-F445 HydrophobicContact CB-CE1 3.89Å; P443-F445 HydrophobicContact CB-CZ 4.31Å; P443-G460 VanDerWaalsContact O-CA 3.27Å; P443-G460 WeakPolarHBondContact O-CA 3.48Å; P443-V461 PolarHBondContact O-N 2.93Å
444	I	97.1	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132	155.5	-63.2	179.1	0	0	0	107.1	T404 S419 G422 A424 H440 A446 T458 A459	T404-I444 VanDerWaalsContact CB-O 3.31Å; T404-I444 WeakPolarHBondContact CB-O 3.31Å; T404-I444 PolarHBondContact OG1-O 3.08Å; S419-I444 PolarHBondContact O-N 2.8Å; G422-I444 WeakPolarHBondContact O-CD1 3.23Å; A424-I444 HydrophobicContact CB-CD1 3.69Å; H440-I444 HydrophobicContact CB-CG1 4.15Å; I444-A446 WeakPolarHBondContact CG2-O 3.29Å; I444-T458 HydrophobicContact CD1-CG2 4.14Å; I444-T458 HydrophobicContact CG2-CG2 4.37Å; I444-A459 CarbonylContact C-O 3.54Å; I444-A459 WeakPolarHBondContact CA-O 3.37Å
445	F	95.7	Very high	93.9	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-51.7	172.6	-65.6	-45.9	0	0	0	110.9	V237 S405 P443 A459 V461 P485 T486 L487	V237-F445 HydrophobicContact CB-CB 4.36Å; V237-F445 WeakPolarHBondContact CG1-O 3.41Å; V237-F445 WeakPolarHBondContact O-CD1 3.35Å; S405-F445 WeakPolarHBondContact CB-O 3.27Å; P443-F445 HydrophobicContact CB-CD1 4.33Å; P443-F445 HydrophobicContact CB-CE1 3.89Å; P443-F445 HydrophobicContact CB-CZ 4.31Å; F445-A459 PolarHBondContact N-O 3.37Å; F445-V461 HydrophobicContact CE2-CB 3.7Å; F445-V461 HydrophobicContact CE2-CG2 3.94Å; F445-V461 HydrophobicContact CZ-CB 3.89Å; F445-V461 HydrophobicContact CZ-CG2 3.97Å; F445-P485 HydrophobicContact CE2-CB 4.16Å; F445-T486 WeakPolarHBondContact CD2-O 3.41Å; F445-L487 WeakPolarHBondContact CB-O 3.47Å; F445-L487 HydrophobicContact CD2-CD2 3.99Å; F445-L487 HydrophobicContact CE2-CD2 4.2Å
446	A	97.4	Very high	94.2	Very high	8 Å²	8	45.7 Å²	45.7	7%	0.066	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.8	179.2	0	0	0	0	0	113.3	I444 T458 A459 L487 V489	I444-A446 WeakPolarHBondContact CG2-O 3.29Å; A446-T458 CarbonylContact O-C 3.6Å; A446-T458 VanDerWaalsContact O-CA 3.31Å; A446-T458 WeakPolarHBondContact O-CA 3.47Å; A446-A459 HydrophobicContact CB-CB 4.31Å; A446-A459 PolarHBondContact N-O 3.19Å; A446-A459 PolarHBondContact O-N 2.88Å; A446-L487 WeakPolarHBondContact CB-O 3.33Å; A446-V489 HydrophobicContact CB-CG2 3.76Å
447	L	97.7	Very high	94.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131.2	176	-174.7	155.5	0	0	0	109.8	D407 A416 A424 I456 L457 T458	D407-L447 HydrophobicContact CB-CD2 3.89Å; A416-L447 HydrophobicContact CB-CD1 4.28Å; A416-L447 HydrophobicContact CB-CD2 3.53Å; A424-L447 HydrophobicContact CB-CD1 3.84Å; L447-I456 HydrophobicContact CD1-CG2 3.99Å; L447-I456 HydrophobicContact CD2-CG2 3.74Å; L447-I456 HydrophobicContact CG-CG2 3.65Å; L447-L457 CarbonylContact C-O 3.57Å; L447-L457 VanDerWaalsContact CA-O 3.31Å; L447-L457 WeakPolarHBondContact CA-O 3.49Å; L447-T458 HydrophobicContact CB-CG2 4.2Å; L447-T458 HydrophobicContact CD1-CG2 3.78Å; L447-T458 HydrophobicContact CG-CG2 3.85Å
448	K	98.4	Very high	95.1	Very high	62 Å²	62	42.6 Å²	42.6	27%	0.27	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	132.9	175.9	-70.5	-68.6	137.6	-166.6	0	113.4	D407 L457 W491	D407-K448 IonicContact OD1-NZ 2.73Å; D407-K448 PolarHBondContact OD1-NZ 2.86Å; D407-K448 WeakPolarHBondContact OD2-CA 3.45Å; K448-L457 PolarHBondContact N-O 2.89Å; K448-L457 PolarHBondContact O-N 2.76Å; K448-W491 PolarHBondContact O-NE1 3.48Å
449	W	98.2	Very high	96	Very high	18 Å²	18	41.4 Å²	41.4	7%	0.068	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.4	166.4	-70.7	92.8	0	0	0	111.3	D407 W408 N409 F414 A416 V426 G453 I456 A470 W491	D407-W449 VanDerWaalsContact O-CD1 3.3Å; D407-W449 PolarHBondContact O-NE1 3.46Å; D407-W449 PolarHBondContact OD2-N 2.92Å; W408-W449 VanDerWaalsContact C-CD1 3.47Å; N409-W449 HydrophobicContact CB-CD2 3.58Å; N409-W449 HydrophobicContact CB-CE3 3.86Å; N409-W449 HydrophobicContact CB-CG 3.96Å; N409-W449 HydrophobicContact CB-CH2 4.22Å; N409-W449 HydrophobicContact CB-CZ2 3.99Å; N409-W449 HydrophobicContact CB-CZ3 4.15Å; F414-W449 HydrophobicContact CB-CH2 3.85Å; F414-W449 HydrophobicContact CB-CZ2 3.64Å; F414-W449 HydrophobicContact CG-CH2 4.42Å; A416-W449 HydrophobicContact CB-CZ2 3.9Å; A416-W449 VanDerWaalsContact CB-NE1 3.34Å; V426-W449 HydrophobicContact CG1-CH2 4Å; V426-W449 HydrophobicContact CG1-CZ2 3.96Å; W449-G453 WeakPolarHBondContact CZ3-O 3.2Å; W449-I456 HydrophobicContact CD2-CD1 4.17Å; W449-I456 HydrophobicContact CD2-CG1 3.64Å; W449-I456 HydrophobicContact CE3-CD1 4.11Å; W449-I456 HydrophobicContact CE3-CG1 3.58Å; W449-I456 HydrophobicContact CG-CG1 4.26Å; W449-I456 HydrophobicContact CH2-CD1 3.81Å; W449-I456 HydrophobicContact CH2-CG1 4.23Å; W449-I456 HydrophobicContact CZ2-CD1 3.83Å; W449-I456 HydrophobicContact CZ2-CG1 4.26Å; W449-I456 HydrophobicContact CZ3-CD1 3.96Å; W449-I456 HydrophobicContact CZ3-CG1 3.91Å; W449-A470 HydrophobicContact CE3-CB 4.28Å; W449-A470 HydrophobicContact CH2-CB 3.95Å; W449-A470 HydrophobicContact CZ3-CB 3.42Å; W449-A470 VanDerWaalsContact CZ3-CB 3.42Å; W449-W491 PolarHBondContact O-NE1 2.85Å
450	N	98	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.			trans	-71.4	154.2	164	86	-20	0	0	0	110.3	K452 G453 N454 Y455 W491 L494	N450-K452 PolarHBondContact O-N 3.23Å; N450-K452 PolarHBondContact OD1-N 2.59Å; N450-G453 PolarHBondContact O-N 3.14Å; N450-G453 PolarHBondContact OD1-N 2.99Å; N450-N454 PolarHBondContact ND2-OD1 3.37Å; N450-N454 PolarHBondContact OD1-N 3.28Å; N450-N454 PolarHBondContact OD1-OD1 3.06Å; N450-Y455 PolarHBondContact N-O 3.1Å; N450-Y455 PolarHBondContact OD1-N 3.2Å; N450-Y455 VanDerWaalsContact OD1-N 3.12Å; N450-W491 HydrophobicContact CB-CD2 3.83Å; N450-W491 HydrophobicContact CB-CE3 4.14Å; N450-W491 HydrophobicContact CB-CG 4.38Å; N450-W491 HydrophobicContact CB-CH2 4.04Å; N450-W491 HydrophobicContact CB-CZ2 3.69Å; N450-W491 HydrophobicContact CB-CZ3 4.25Å; N450-L494 PolarHBondContact ND2-O 2.91Å
451	K	93.7	Very high	96.6	Very high	168 Å²	168	38.2 Å²	38.2	73%	0.73	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-10.5	-176.3	-172.5	170.5	-178.1	171.8	0	115.3	S410 L494	S410-K451 PolarHBondContact OG-O 3.1Å; K451-L494 HydrophobicContact CB-CD2 3.93Å
452	K	95.4	Very high	96.8	Very high	146 Å²	146	30.9 Å²	30.9	64%	0.635	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-10.3	176	177.1	173.1	163.7	-162.5	0	113	N450 N454 L494	N450-K452 PolarHBondContact O-N 3.23Å; N450-K452 PolarHBondContact OD1-N 2.59Å; K452-N454 VanDerWaalsContact C-N 3.27Å; K452-N454 WeakPolarHBondContact CB-OD1 3.19Å; K452-N454 VanDerWaalsContact CD-OD1 3.23Å; K452-N454 WeakPolarHBondContact CD-OD1 3.4Å; K452-N454 HydrophobicContact CG-CB 4.34Å; K452-N454 WeakPolarHBondContact CG-OD1 3.46Å; K452-N454 PolarHBondContact O-N 2.67Å; K452-L494 HydrophobicContact CB-CD1 4.18Å; K452-L494 HydrophobicContact CB-CD2 3.76Å; K452-L494 HydrophobicContact CD-CD1 4.07Å
453	G	95.7	Very high	97.1	Very high	22 Å²	22	34.3 Å²	34.3	23%	0.227	16%	0.164	C	C	.	.	S	Bend	trans	70	18.4	-178.6	0	0	0	0	0	114.4	W449 N450	W449-G453 WeakPolarHBondContact CZ3-O 3.2Å; N450-G453 PolarHBondContact O-N 3.14Å; N450-G453 PolarHBondContact OD1-N 2.99Å
454	N	95.9	Very high	97.3	Very high	45 Å²	45	34.2 Å²	34.2	24%	0.241	16%	0.163	C	C	.	.	S	Bend	trans	-105.9	-19.2	-178.3	82	-98.4	0	0	0	113.6	N450 K452 A470	N450-N454 PolarHBondContact ND2-OD1 3.37Å; N450-N454 PolarHBondContact OD1-N 3.28Å; N450-N454 PolarHBondContact OD1-OD1 3.06Å; K452-N454 VanDerWaalsContact C-N 3.27Å; K452-N454 WeakPolarHBondContact CB-OD1 3.19Å; K452-N454 VanDerWaalsContact CD-OD1 3.23Å; K452-N454 WeakPolarHBondContact CD-OD1 3.4Å; K452-N454 HydrophobicContact CG-CB 4.34Å; K452-N454 WeakPolarHBondContact CG-OD1 3.46Å; K452-N454 PolarHBondContact O-N 2.67Å; N454-A470 PolarHBondContact O-N 2.89Å
455	Y	97.9	Very high	97.3	Very high	52 Å²	52	34.3 Å²	34.3	20%	0.204	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147	175.9	-66.6	-44.7	0	0	0	110.7	N450 I467 W468 E469 A476 W491 L511	N450-Y455 PolarHBondContact N-O 3.1Å; N450-Y455 PolarHBondContact OD1-N 3.2Å; N450-Y455 VanDerWaalsContact OD1-N 3.12Å; Y455-I467 HydrophobicContact CD1-CG2 3.81Å; Y455-I467 HydrophobicContact CD2-CG2 4.24Å; Y455-I467 HydrophobicContact CE1-CG2 4.4Å; Y455-I467 HydrophobicContact CG-CG2 3.74Å; Y455-W468 VanDerWaalsContact CA-O 3.29Å; Y455-W468 WeakPolarHBondContact CA-O 3.44Å; Y455-E469 HydrophobicContact CE1-CG 4.16Å; Y455-A476 HydrophobicContact CE1-CB 4.19Å; Y455-W491 HydrophobicContact CD2-CH2 4.43Å; Y455-L511 HydrophobicContact CD2-CD2 4.41Å; Y455-L511 HydrophobicContact CE1-CD2 4.45Å; Y455-L511 HydrophobicContact CE2-CD2 3.55Å; Y455-L511 WeakPolarHBondContact OH-CD2 3.31Å
456	I	98.3	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.5	165.7	-67.2	161.4	0	0	0	106.8	A416 V426 L437 L447 W449 T458 I467 W468 A470	A416-I456 HydrophobicContact CB-CD1 3.92Å; V426-I456 HydrophobicContact CG2-CD1 3.5Å; L437-I456 HydrophobicContact CD1-CB 4.37Å; L437-I456 HydrophobicContact CD1-CD1 3.85Å; L437-I456 HydrophobicContact CD1-CG2 4.31Å; L447-I456 HydrophobicContact CD1-CG2 3.99Å; L447-I456 HydrophobicContact CD2-CG2 3.74Å; L447-I456 HydrophobicContact CG-CG2 3.65Å; W449-I456 HydrophobicContact CD2-CD1 4.17Å; W449-I456 HydrophobicContact CD2-CG1 3.64Å; W449-I456 HydrophobicContact CE3-CD1 4.11Å; W449-I456 HydrophobicContact CE3-CG1 3.58Å; W449-I456 HydrophobicContact CG-CG1 4.26Å; W449-I456 HydrophobicContact CH2-CD1 3.81Å; W449-I456 HydrophobicContact CH2-CG1 4.23Å; W449-I456 HydrophobicContact CZ2-CD1 3.83Å; W449-I456 HydrophobicContact CZ2-CG1 4.26Å; W449-I456 HydrophobicContact CZ3-CD1 3.96Å; W449-I456 HydrophobicContact CZ3-CG1 3.91Å; I456-T458 HydrophobicContact CG2-CG2 4.26Å; I456-I467 CarbonylContact O-C 3.53Å; I456-I467 WeakPolarHBondContact O-CA 3.47Å; I456-W468 HydrophobicContact CB-CB 4.47Å; I456-W468 PolarHBondContact N-O 3.16Å; I456-W468 VanDerWaalsContact N-O 3.08Å; I456-W468 PolarHBondContact O-N 3.5Å; I456-A470 HydrophobicContact CD1-CB 3.91Å; I456-A470 HydrophobicContact CG1-CB 4.15Å
457	L	98.6	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.3	172.4	172.9	64.6	0	0	0	108.6	L447 K448 I466 I467 V489 W491 F497	L447-L457 CarbonylContact C-O 3.57Å; L447-L457 VanDerWaalsContact CA-O 3.31Å; L447-L457 WeakPolarHBondContact CA-O 3.49Å; K448-L457 PolarHBondContact N-O 2.89Å; K448-L457 PolarHBondContact O-N 2.76Å; L457-I466 CarbonylContact C-O 3.58Å; L457-I466 WeakPolarHBondContact CA-O 3.31Å; L457-I467 HydrophobicContact CD1-CG1 3.89Å; L457-V489 HydrophobicContact CD2-CB 3.68Å; L457-V489 HydrophobicContact CD2-CG1 3.87Å; L457-V489 HydrophobicContact CD2-CG2 4.17Å; L457-V489 HydrophobicContact CG-CB 4.1Å; L457-V489 HydrophobicContact CG-CG1 4.08Å; L457-V489 HydrophobicContact CG-CG2 4.14Å; L457-W491 HydrophobicContact CB-CH2 4.4Å; L457-W491 HydrophobicContact CB-CZ2 3.48Å; L457-W491 VanDerWaalsContact CB-CZ2 3.48Å; L457-W491 HydrophobicContact CD2-CD2 4.41Å; L457-W491 HydrophobicContact CD2-CZ2 4.42Å; L457-F497 HydrophobicContact CD1-CD1 4.38Å; L457-F497 HydrophobicContact CD1-CD2 4.03Å; L457-F497 HydrophobicContact CD1-CE1 4.23Å; L457-F497 HydrophobicContact CD1-CE2 3.87Å; L457-F497 HydrophobicContact CD1-CG 4.27Å; L457-F497 HydrophobicContact CD1-CZ 3.96Å; L457-F497 HydrophobicContact CD2-CB 3.57Å; L457-F497 HydrophobicContact CD2-CD1 4.24Å; L457-F497 HydrophobicContact CD2-CD2 3.48Å; L457-F497 VanDerWaalsContact CD2-CD2 3.48Å; L457-F497 HydrophobicContact CD2-CE2 4.17Å; L457-F497 HydrophobicContact CD2-CG 3.51Å; L457-F497 HydrophobicContact CG-CD2 4.39Å
458	T	98.6	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.9	173.3	54.1	0	0	0	0	111.4	A424 H440 I444 A446 L447 I456 T465 I466 W468	A424-T458 HydrophobicContact CB-CG2 4.1Å; H440-T458 PolarHBondContact CD2-OG1 2.98Å; H440-T458 WeakPolarHBondContact NE2-CB 3.32Å; H440-T458 PolarHBondContact NE2-OG1 3.36Å; I444-T458 HydrophobicContact CD1-CG2 4.14Å; I444-T458 HydrophobicContact CG2-CG2 4.37Å; A446-T458 CarbonylContact O-C 3.6Å; A446-T458 VanDerWaalsContact O-CA 3.31Å; A446-T458 WeakPolarHBondContact O-CA 3.47Å; L447-T458 HydrophobicContact CB-CG2 4.2Å; L447-T458 HydrophobicContact CD1-CG2 3.78Å; L447-T458 HydrophobicContact CG-CG2 3.85Å; I456-T458 HydrophobicContact CG2-CG2 4.26Å; T458-T465 CarbonylContact O-C 3.57Å; T458-T465 WeakPolarHBondContact O-CA 3.44Å; T458-T465 VanDerWaalsContact O-CB 3.29Å; T458-T465 WeakPolarHBondContact O-CB 3.27Å; T458-I466 PolarHBondContact N-O 2.96Å; T458-I466 PolarHBondContact O-N 3.47Å; T458-I466 PolarHBondContact OG1-O 2.8Å; T458-W468 PolarHBondContact OG1-NE1 2.87Å
459	A	98.5	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.6	171	0	0	0	0	0	109.6	I444 F445 A446 T465 T486 V489	I444-A459 CarbonylContact C-O 3.54Å; I444-A459 WeakPolarHBondContact CA-O 3.37Å; F445-A459 PolarHBondContact N-O 3.37Å; A446-A459 HydrophobicContact CB-CB 4.31Å; A446-A459 PolarHBondContact N-O 3.19Å; A446-A459 PolarHBondContact O-N 2.88Å; A459-T465 HydrophobicContact CB-CG2 4.09Å; A459-T486 HydrophobicContact CB-CG2 3.83Å; A459-V489 HydrophobicContact CB-CG1 3.92Å; A459-V489 HydrophobicContact CB-CG2 4.22Å
460	G	96.8	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.4	-175	0	0	0	0	0	115	P443 D462 K463 T464 T486	P443-G460 VanDerWaalsContact O-CA 3.27Å; P443-G460 WeakPolarHBondContact O-CA 3.48Å; G460-D462 PolarHBondContact O-N 2.82Å; G460-D462 VanDerWaalsContact O-N 3.12Å; G460-K463 PolarHBondContact O-N 3.24Å; G460-T464 PolarHBondContact N-O 3Å; G460-T486 PolarHBondContact O-N 3.09Å
461	V	96.6	Very high	96.7	Very high	47 Å²	47	41.7 Å²	41.7	29%	0.285	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.6	173.1	77.4	0	0	0	0	112.5	P443 F445 K463 P485	P443-V461 PolarHBondContact O-N 2.93Å; F445-V461 HydrophobicContact CE2-CB 3.7Å; F445-V461 HydrophobicContact CE2-CG2 3.94Å; F445-V461 HydrophobicContact CZ-CB 3.89Å; F445-V461 HydrophobicContact CZ-CG2 3.97Å; V461-K463 PolarHBondContact O-N 3.3Å; V461-P485 HydrophobicContact CG2-CB 4.21Å; V461-P485 HydrophobicContact CG2-CG 3.93Å
462	D	97.2	Very high	96.5	Very high	30 Å²	30	37.1 Å²	37.1	16%	0.16	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	11.2	179.4	71.3	8.8	0	0	0	114.9	H440 K441 G460 T464	H440-D462 WeakPolarHBondContact CA-OD2 3.09Å; H440-D462 IonicContact CE1-OD1 3.87Å; H440-D462 IonicContact CG-OD2 2.68Å; H440-D462 VanDerWaalsContact ND1-CG 3.3Å; H440-D462 IonicContact ND1-OD1 3.03Å; H440-D462 PolarHBondContact ND1-OD1 3.34Å; H440-D462 IonicContact ND1-OD2 2.91Å; H440-D462 PolarHBondContact ND1-OD2 3.24Å; K441-D462 HydrophobicContact CB-CB 3.77Å; K441-D462 PolarHBondContact N-OD2 2.72Å; G460-D462 PolarHBondContact O-N 2.82Å; G460-D462 VanDerWaalsContact O-N 3.12Å; D462-T464 PolarHBondContact O-N 3.39Å; D462-T464 WeakPolarHBondContact OD1-CB 3.38Å; D462-T464 PolarHBondContact OD1-N 3.42Å; D462-T464 VanDerWaalsContact OD1-N 3.15Å; D462-T464 PolarHBondContact OD1-OG1 3.44Å
463	K	98.3	Very high	96.3	Very high	96 Å²	96	30.9 Å²	30.9	42%	0.417	16%	0.164	S	C	.	.	S	Bend	trans	69.4	13.8	175.9	-39.5	174.6	172.8	-162.8	0	113.3	G460 V461 V483	G460-K463 PolarHBondContact O-N 3.24Å; V461-K463 PolarHBondContact O-N 3.3Å; K463-V483 WeakPolarHBondContact CD-O 3.12Å; K463-V483 VanDerWaalsContact CE-O 3.28Å; K463-V483 WeakPolarHBondContact CE-O 3.47Å; K463-V483 PolarHBondContact NZ-O 3.05Å
464	T	98.4	Very high	96.2	Very high	11 Å²	11	38.1 Å²	38.1	7%	0.067	18%	0.184	C	C	.	.			trans	-116.1	161.2	-179	76.4	0	0	0	0	112.7	H440 G460 D462 Q478 F479 A480	H440-T464 PolarHBondContact CE1-OG1 2.65Å; H440-T464 PolarHBondContact ND1-OG1 3.34Å; G460-T464 PolarHBondContact N-O 3Å; D462-T464 PolarHBondContact O-N 3.39Å; D462-T464 WeakPolarHBondContact OD1-CB 3.38Å; D462-T464 PolarHBondContact OD1-N 3.42Å; D462-T464 VanDerWaalsContact OD1-N 3.15Å; D462-T464 PolarHBondContact OD1-OG1 3.44Å; T464-Q478 HydrophobicContact CG2-CG 4.31Å; T464-Q478 PolarHBondContact OG1-NE2 2.91Å; T464-F479 CarbonylContact C-O 3.52Å; T464-F479 WeakPolarHBondContact CA-O 3.18Å; T464-F479 VanDerWaalsContact CB-O 3.31Å; T464-F479 WeakPolarHBondContact CB-O 3.15Å; T464-A480 HydrophobicContact CG2-CB 3.77Å
465	T	98.6	Very high	96.2	Very high	3 Å²	3	40 Å²	40	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.6	157.7	57	0	0	0	0	110.1	T458 A459 Q478 F479 T486 V489 F497	T458-T465 CarbonylContact O-C 3.57Å; T458-T465 WeakPolarHBondContact O-CA 3.44Å; T458-T465 VanDerWaalsContact O-CB 3.29Å; T458-T465 WeakPolarHBondContact O-CB 3.27Å; A459-T465 HydrophobicContact CB-CG2 4.09Å; T465-Q478 CarbonylContact O-C 3.58Å; T465-Q478 WeakPolarHBondContact O-CA 3.29Å; T465-F479 PolarHBondContact N-O 2.95Å; T465-F479 PolarHBondContact O-N 3.17Å; T465-T486 HydrophobicContact CG2-CG2 3.8Å; T465-V489 HydrophobicContact CG2-CG1 3.75Å; T465-F497 HydrophobicContact CG2-CE2 4.2Å; T465-F497 WeakPolarHBondContact OG1-CE2 3.11Å; T465-F497 WeakPolarHBondContact OG1-CZ 3.47Å
466	I	98.4	Very high	96.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.7	179.6	-56.8	175.4	0	0	0	109.5	L457 T458 W468 I475 Q478	L457-I466 CarbonylContact C-O 3.58Å; L457-I466 WeakPolarHBondContact CA-O 3.31Å; T458-I466 PolarHBondContact N-O 2.96Å; T458-I466 PolarHBondContact O-N 3.47Å; T458-I466 PolarHBondContact OG1-O 2.8Å; I466-W468 HydrophobicContact CB-CZ2 3.92Å; I466-W468 HydrophobicContact CD1-CH2 4.04Å; I466-W468 HydrophobicContact CD1-CZ2 3.63Å; I466-W468 HydrophobicContact CG1-CZ2 4.36Å; I466-W468 HydrophobicContact CG2-CD2 3.76Å; I466-W468 HydrophobicContact CG2-CE3 4.25Å; I466-W468 HydrophobicContact CG2-CG 4.23Å; I466-W468 HydrophobicContact CG2-CH2 4.04Å; I466-W468 HydrophobicContact CG2-CZ2 3.58Å; I466-W468 HydrophobicContact CG2-CZ3 4.36Å; I466-I475 HydrophobicContact CG2-CB 4.39Å; I466-I475 HydrophobicContact CG2-CD1 4.36Å; I466-I475 HydrophobicContact CG2-CG1 3.92Å; I466-I475 HydrophobicContact CG2-CG2 3.96Å; I466-Q478 HydrophobicContact CD1-CG 4.33Å; I466-Q478 HydrophobicContact CG1-CB 4.03Å; I466-Q478 HydrophobicContact CG1-CG 3.76Å
467	I	98.4	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.8	165.4	-66	174.9	0	0	0	108.2	Y455 I456 L457 A476 Q477 F479 W491 F497 L511	Y455-I467 HydrophobicContact CD1-CG2 3.81Å; Y455-I467 HydrophobicContact CD2-CG2 4.24Å; Y455-I467 HydrophobicContact CE1-CG2 4.4Å; Y455-I467 HydrophobicContact CG-CG2 3.74Å; I456-I467 CarbonylContact O-C 3.53Å; I456-I467 WeakPolarHBondContact O-CA 3.47Å; L457-I467 HydrophobicContact CD1-CG1 3.89Å; I467-A476 HydrophobicContact CB-CB 4.45Å; I467-A476 HydrophobicContact CG2-CB 3.98Å; I467-A476 WeakPolarHBondContact O-CB 3.34Å; I467-A476 PolarHBondContact O-N 3.48Å; I467-Q477 PolarHBondContact N-O 3.37Å; I467-Q477 PolarHBondContact O-N 2.96Å; I467-F479 HydrophobicContact CB-CE2 4.47Å; I467-F479 HydrophobicContact CD1-CE2 3.74Å; I467-F479 HydrophobicContact CD1-CZ 3.95Å; I467-F479 HydrophobicContact CG1-CE2 3.89Å; I467-W491 HydrophobicContact CD1-CH2 3.81Å; I467-W491 HydrophobicContact CD1-CZ3 4.25Å; I467-W491 HydrophobicContact CG1-CH2 4Å; I467-W491 HydrophobicContact CG2-CH2 4.3Å; I467-F497 HydrophobicContact CD1-CD1 3.98Å; I467-F497 HydrophobicContact CD1-CE1 3.73Å; I467-F497 HydrophobicContact CG1-CE1 4.27Å; I467-L511 HydrophobicContact CD1-CB 4.2Å; I467-L511 HydrophobicContact CD1-CD1 4.13Å
468	W	98	Very high	96.1	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.4	178.2	-51.3	89.8	0	0	0	111.3	L437 Y455 I456 T458 I466 A470 R474 I475	L437-W468 HydrophobicContact CB-CD2 4.04Å; L437-W468 HydrophobicContact CB-CE3 4.02Å; L437-W468 HydrophobicContact CB-CG 4.44Å; L437-W468 HydrophobicContact CB-CZ3 4.46Å; L437-W468 HydrophobicContact CD1-CB 3.96Å; L437-W468 HydrophobicContact CD1-CD2 4.3Å; L437-W468 HydrophobicContact CD1-CG 3.83Å; Y455-W468 VanDerWaalsContact CA-O 3.29Å; Y455-W468 WeakPolarHBondContact CA-O 3.44Å; I456-W468 HydrophobicContact CB-CB 4.47Å; I456-W468 PolarHBondContact N-O 3.16Å; I456-W468 VanDerWaalsContact N-O 3.08Å; I456-W468 PolarHBondContact O-N 3.5Å; T458-W468 PolarHBondContact OG1-NE1 2.87Å; I466-W468 HydrophobicContact CB-CZ2 3.92Å; I466-W468 HydrophobicContact CD1-CH2 4.04Å; I466-W468 HydrophobicContact CD1-CZ2 3.63Å; I466-W468 HydrophobicContact CG1-CZ2 4.36Å; I466-W468 HydrophobicContact CG2-CD2 3.76Å; I466-W468 HydrophobicContact CG2-CE3 4.25Å; I466-W468 HydrophobicContact CG2-CG 4.23Å; I466-W468 HydrophobicContact CG2-CH2 4.04Å; I466-W468 HydrophobicContact CG2-CZ2 3.58Å; I466-W468 HydrophobicContact CG2-CZ3 4.36Å; W468-A470 PolarHBondContact O-N 3.47Å; W468-A470 VanDerWaalsContact O-N 3.16Å; W468-R474 CarbonylContact C-O 3.52Å; W468-R474 VanDerWaalsContact CA-O 3.32Å; W468-R474 WeakPolarHBondContact CA-O 3.24Å; W468-I475 HydrophobicContact CE3-CG1 3.74Å; W468-I475 HydrophobicContact CH2-CD1 4.1Å; W468-I475 HydrophobicContact CH2-CG1 3.82Å; W468-I475 HydrophobicContact CZ3-CD1 3.99Å; W468-I475 HydrophobicContact CZ3-CG1 3.27Å
469	E	95.9	Very high	96.1	Very high	67 Å²	67	45.7 Å²	45.7	31%	0.313	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	101.2	162.4	-74.8	-177.6	178.1	0	0	109.6	Y455 Q471 T472 G473 R474 A476	Y455-E469 HydrophobicContact CE1-CG 4.16Å; E469-Q471 PolarHBondContact O-N 2.94Å; E469-Q471 VanDerWaalsContact O-N 3.1Å; E469-T472 HydrophobicContact CB-CG2 4.47Å; E469-T472 WeakPolarHBondContact CB-OG1 3.36Å; E469-T472 PolarHBondContact O-N 2.81Å; E469-T472 WeakPolarHBondContact OE2-CB 3.14Å; E469-T472 VanDerWaalsContact OE2-CG2 3.3Å; E469-T472 WeakPolarHBondContact OE2-CG2 3.23Å; E469-T472 PolarHBondContact OE2-OG1 3Å; E469-G473 PolarHBondContact O-N 3.23Å; E469-R474 HydrophobicContact CB-CB 4.49Å; E469-R474 PolarHBondContact N-O 2.83Å; E469-A476 HydrophobicContact CG-CB 4.34Å
470	A	92.8	Very high	96.1	Very high	11 Å²	11	49.2 Å²	49.2	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.5	-172.5	0	0	0	0	0	113.6	W449 N454 I456 W468	W449-A470 HydrophobicContact CE3-CB 4.28Å; W449-A470 HydrophobicContact CH2-CB 3.95Å; W449-A470 HydrophobicContact CZ3-CB 3.42Å; W449-A470 VanDerWaalsContact CZ3-CB 3.42Å; N454-A470 PolarHBondContact O-N 2.89Å; I456-A470 HydrophobicContact CD1-CB 3.91Å; I456-A470 HydrophobicContact CG1-CB 4.15Å; W468-A470 PolarHBondContact O-N 3.47Å; W468-A470 VanDerWaalsContact O-N 3.16Å
471	Q	88.3	Confident	96.2	Very high	171 Å²	171	51.6 Å²	51.6	80%	0.799	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-21.8	-179.2	-174.5	58.4	89.4	0	0	114.1	E469	E469-Q471 PolarHBondContact O-N 2.94Å; E469-Q471 VanDerWaalsContact O-N 3.1Å
472	T	90.4	Very high	96.2	Very high	71 Å²	71	50 Å²	50	44%	0.436	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-13.8	-173.3	72.8	0	0	0	0	113.6	E469 R474	E469-T472 HydrophobicContact CB-CG2 4.47Å; E469-T472 WeakPolarHBondContact CB-OG1 3.36Å; E469-T472 PolarHBondContact O-N 2.81Å; E469-T472 WeakPolarHBondContact OE2-CB 3.14Å; E469-T472 VanDerWaalsContact OE2-CG2 3.3Å; E469-T472 WeakPolarHBondContact OE2-CG2 3.23Å; E469-T472 PolarHBondContact OE2-OG1 3Å; T472-R474 PolarHBondContact O-N 3.08Å; T472-R474 WeakPolarHBondContact OG1-CB 3.44Å; T472-R474 WeakPolarHBondContact OG1-CG 3.42Å; T472-R474 PolarHBondContact OG1-N 2.9Å
473	G	90.1	Very high	96.3	Very high	15 Å²	15	53.6 Å²	53.6	16%	0.155	28%	0.28	C	S	.	.			trans	75.4	0.6	-173.5	0	0	0	0	0	114.7	E469	E469-G473 PolarHBondContact O-N 3.23Å
474	R	94.2	Very high	96.3	Very high	174 Å²	174	50 Å²	50	66%	0.657	27%	0.269	S	S	*	.			trans	-82.1	149.5	-173.1	-64.9	176.8	174.4	-166.5	-3.7	112.3	W468 E469 T472 A476	W468-R474 CarbonylContact C-O 3.52Å; W468-R474 VanDerWaalsContact CA-O 3.32Å; W468-R474 WeakPolarHBondContact CA-O 3.24Å; E469-R474 HydrophobicContact CB-CB 4.49Å; E469-R474 PolarHBondContact N-O 2.83Å; T472-R474 PolarHBondContact O-N 3.08Å; T472-R474 WeakPolarHBondContact OG1-CB 3.44Å; T472-R474 WeakPolarHBondContact OG1-CG 3.42Å; T472-R474 PolarHBondContact OG1-N 2.9Å; R474-A476 PolarHBondContact O-N 2.87Å
475	I	96.7	Very high	96.2	Very high	85 Å²	85	51 Å²	51	44%	0.436	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	121.4	163.6	-62.2	178.5	0	0	0	108	I466 W468 Q478	I466-I475 HydrophobicContact CG2-CB 4.39Å; I466-I475 HydrophobicContact CG2-CD1 4.36Å; I466-I475 HydrophobicContact CG2-CG1 3.92Å; I466-I475 HydrophobicContact CG2-CG2 3.96Å; W468-I475 HydrophobicContact CE3-CG1 3.74Å; W468-I475 HydrophobicContact CH2-CD1 4.1Å; W468-I475 HydrophobicContact CH2-CG1 3.82Å; W468-I475 HydrophobicContact CZ3-CD1 3.99Å; W468-I475 HydrophobicContact CZ3-CG1 3.27Å; I475-Q478 HydrophobicContact CG2-CB 4.48Å
476	A	96.7	Very high	96.2	Very high	38 Å²	38	50.9 Å²	50.9	31%	0.314	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-45.1	165.7	0	0	0	0	0	110.1	Y455 I467 E469 R474 L511	Y455-A476 HydrophobicContact CE1-CB 4.19Å; I467-A476 HydrophobicContact CB-CB 4.45Å; I467-A476 HydrophobicContact CG2-CB 3.98Å; I467-A476 WeakPolarHBondContact O-CB 3.34Å; I467-A476 PolarHBondContact O-N 3.48Å; E469-A476 HydrophobicContact CG-CB 4.34Å; R474-A476 PolarHBondContact O-N 2.87Å; A476-L511 HydrophobicContact CB-CD1 4.12Å
477	Q	97.9	Very high	96.2	Very high	38 Å²	38	51 Å²	51	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	146	170.8	-174.6	169.5	-5.9	0	0	111.4	I467 F479 L511 C513	I467-Q477 PolarHBondContact N-O 3.37Å; I467-Q477 PolarHBondContact O-N 2.96Å; Q477-F479 HydrophobicContact CB-CE2 3.82Å; Q477-F479 HydrophobicContact CB-CZ 3.81Å; Q477-F479 HydrophobicContact CG-CD1 4.3Å; Q477-F479 HydrophobicContact CG-CD2 4.24Å; Q477-F479 HydrophobicContact CG-CE1 3.89Å; Q477-F479 HydrophobicContact CG-CE2 3.78Å; Q477-F479 HydrophobicContact CG-CG 4.48Å; Q477-F479 HydrophobicContact CG-CZ 3.6Å; Q477-L511 HydrophobicContact CB-CD1 3.67Å; Q477-C513 PolarHBondContact NE2-O 3.08Å
478	Q	97.9	Very high	96.2	Very high	92 Å²	92	51.8 Å²	51.8	43%	0.43	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.5	165.2	178.4	166.2	29.5	0	0	109.3	T464 T465 I466 I475	T464-Q478 HydrophobicContact CG2-CG 4.31Å; T464-Q478 PolarHBondContact OG1-NE2 2.91Å; T465-Q478 CarbonylContact O-C 3.58Å; T465-Q478 WeakPolarHBondContact O-CA 3.29Å; I466-Q478 HydrophobicContact CD1-CG 4.33Å; I466-Q478 HydrophobicContact CG1-CB 4.03Å; I466-Q478 HydrophobicContact CG1-CG 3.76Å; I475-Q478 HydrophobicContact CG2-CB 4.48Å
479	F	98.4	Very high	96.2	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.7	-178.5	-50.9	-101	0	0	0	108.7	T464 T465 I467 Q477 F481 F497 C509	T464-F479 CarbonylContact C-O 3.52Å; T464-F479 WeakPolarHBondContact CA-O 3.18Å; T464-F479 VanDerWaalsContact CB-O 3.31Å; T464-F479 WeakPolarHBondContact CB-O 3.15Å; T465-F479 PolarHBondContact N-O 2.95Å; T465-F479 PolarHBondContact O-N 3.17Å; I467-F479 HydrophobicContact CB-CE2 4.47Å; I467-F479 HydrophobicContact CD1-CE2 3.74Å; I467-F479 HydrophobicContact CD1-CZ 3.95Å; I467-F479 HydrophobicContact CG1-CE2 3.89Å; Q477-F479 HydrophobicContact CB-CE2 3.82Å; Q477-F479 HydrophobicContact CB-CZ 3.81Å; Q477-F479 HydrophobicContact CG-CD1 4.3Å; Q477-F479 HydrophobicContact CG-CD2 4.24Å; Q477-F479 HydrophobicContact CG-CE1 3.89Å; Q477-F479 HydrophobicContact CG-CE2 3.78Å; Q477-F479 HydrophobicContact CG-CG 4.48Å; Q477-F479 HydrophobicContact CG-CZ 3.6Å; F479-F481 HydrophobicContact CB-CD2 4.08Å; F479-F481 HydrophobicContact CB-CE2 3.9Å; F479-F481 HydrophobicContact CB-CZ 4.26Å; F479-F481 AromaticContact CD1-CE2 3.64Å; F479-F481 HydrophobicContact CD1-CE2 3.64Å; F479-F481 AromaticContact CD1-CZ 3.85Å; F479-F481 HydrophobicContact CD1-CZ 3.85Å; F479-F481 HydrophobicContact CG-CE2 4.24Å; F479-F497 HydrophobicContact CD1-CZ 4.48Å; F479-F497 HydrophobicContact CD2-CE1 4.07Å; F479-F497 AromaticContact CD2-CZ 3.72Å; F479-F497 HydrophobicContact CD2-CZ 3.72Å; F479-F497 HydrophobicContact CE1-CE1 4.32Å; F479-F497 AromaticContact CE2-CE1 3.71Å; F479-F497 HydrophobicContact CE2-CE1 3.71Å; F479-F497 AromaticContact CE2-CZ 3.86Å; F479-F497 HydrophobicContact CE2-CZ 3.86Å; F479-F497 HydrophobicContact CG-CZ 4.07Å; F479-F497 AromaticContact CZ-CE1 3.83Å; F479-F497 HydrophobicContact CZ-CE1 3.83Å; F479-F497 HydrophobicContact CZ-CZ 4.27Å; F479-C509 HydrophobicContact CD1-CB 4.4Å; F479-C509 HydrophobicContact CE1-CB 4.49Å
480	A	97.8	Very high	96.4	Very high	74 Å²	74	49.8 Å²	49.8	61%	0.612	27%	0.271	S	S	*	.			trans	-116.5	67.3	-178.3	0	0	0	0	0	109.5	T464	T464-A480 HydrophobicContact CG2-CB 3.77Å
481	F	98.1	Very high	96.6	Very high	50 Å²	50	50.4 Å²	50.4	22%	0.219	27%	0.271	C	S	.	.			trans	-102.3	-31.9	-175.5	-56.4	-33	0	0	0	113.1	F479 H507 C509 S514 S515 P516	F479-F481 HydrophobicContact CB-CD2 4.08Å; F479-F481 HydrophobicContact CB-CE2 3.9Å; F479-F481 HydrophobicContact CB-CZ 4.26Å; F479-F481 AromaticContact CD1-CE2 3.64Å; F479-F481 HydrophobicContact CD1-CE2 3.64Å; F479-F481 AromaticContact CD1-CZ 3.85Å; F479-F481 HydrophobicContact CD1-CZ 3.85Å; F479-F481 HydrophobicContact CG-CE2 4.24Å; F481-H507 PolarHBondContact O-NE2 2.68Å; F481-C509 VanDerWaalsContact CD2-SG 3.58Å; F481-S514 WeakPolarHBondContact CE1-O 3.48Å; F481-S515 VanDerWaalsContact CZ-CA 3.45Å; F481-P516 HydrophobicContact CB-CG 4.12Å; F481-P516 HydrophobicContact CD1-CG 4.45Å; F481-P516 HydrophobicContact CD2-CB 4.47Å; F481-P516 HydrophobicContact CD2-CG 3.6Å; F481-P516 HydrophobicContact CE2-CG 4.04Å; F481-P516 HydrophobicContact CG-CG 3.83Å
482	H	98.5	Very high	97.1	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.06	25%	0.245	C	C	.	.			trans	-73.1	147.8	175.4	-73.6	-64.9	0	0	0	111.6	S499 S501 D503 N505 H507	H482-S499 PolarHBondContact CD2-OG 2.84Å; H482-S499 PolarHBondContact NE2-O 2.94Å; H482-S499 PolarHBondContact NE2-OG 2.83Å; H482-S501 WeakPolarHBondContact ND1-CB 3.05Å; H482-D503 WeakPolarHBondContact CA-OD2 3.48Å; H482-D503 VanDerWaalsContact CB-OD2 3.23Å; H482-D503 WeakPolarHBondContact CB-OD2 3.19Å; H482-D503 IonicContact CG-OD2 3.39Å; H482-D503 IonicContact ND1-OD1 3.44Å; H482-D503 PolarHBondContact ND1-OD1 3.14Å; H482-D503 IonicContact ND1-OD2 3.67Å; H482-D503 PolarHBondContact ND1-OD2 2.94Å; H482-N505 PolarHBondContact CE1-O 3.15Å; H482-H507 AromaticContact CD2-CD2 3.78Å; H482-H507 AromaticContact CE1-CD2 3.24Å; H482-H507 PolarHBondContact CE1-CD2 2.87Å; H482-H507 AromaticContact CE1-CG 3.98Å; H482-H507 AromaticContact CE1-NE2 3.79Å; H482-H507 AromaticContact CG-CD2 3.72Å; H482-H507 AromaticContact ND1-CD2 3.39Å; H482-H507 PolarHBondContact ND1-CD2 2.82Å; H482-H507 AromaticContact ND1-NE2 3.55Å; H482-H507 AromaticContact NE2-CD2 3.47Å; H482-H507 PolarHBondContact NE2-CD2 3.5Å
483	V	97.8	Very high	97.4	Very high	105 Å²	105	43.5 Å²	43.5	64%	0.636	24%	0.239	S	C	*	.	S	Bend	trans	-100	-5.8	178	-61.4	0	0	0	0	112.8	K463 D503	K463-V483 WeakPolarHBondContact CD-O 3.12Å; K463-V483 VanDerWaalsContact CE-O 3.28Å; K463-V483 WeakPolarHBondContact CE-O 3.47Å; K463-V483 PolarHBondContact NZ-O 3.05Å; V483-D503 HydrophobicContact CG2-CB 3.53Å; V483-D503 PolarHBondContact N-OD2 3.36Å
484	A	98	Very high	97.7	Very high	22 Å²	22	46.4 Å²	46.4	18%	0.182	25%	0.251	C	S	.	.	S	Bend	trans	-141.4	167.5	173.9	0	0	0	0	0	110.7	T486 S501 T502 D503	A484-T486 PolarHBondContact O-N 2.93Å; A484-S501 VanDerWaalsContact C-OG 3.32Å; A484-S501 PolarHBondContact O-OG 2.93Å; A484-T502 WeakPolarHBondContact CB-OG1 3.3Å; A484-D503 HydrophobicContact CB-CB 3.86Å
485	P	98.2	Very high	97.8	Very high	32 Å²	32	40.9 Å²	40.9	21%	0.208	23%	0.234	C	C	.	.			trans	-43.7	131.8	-175.8	-35.4	37.8	0	0	0	115.9	F445 V461 S501 T502	F445-P485 HydrophobicContact CE2-CB 4.16Å; V461-P485 HydrophobicContact CG2-CB 4.21Å; V461-P485 HydrophobicContact CG2-CG 3.93Å; P485-S501 WeakPolarHBondContact O-CA 3.46Å; P485-S501 WeakPolarHBondContact O-CB 3.2Å; P485-S501 PolarHBondContact O-OG 2.97Å; P485-T502 HydrophobicContact CB-CG2 4.29Å; P485-T502 VanDerWaalsContact CD-OG1 3.23Å; P485-T502 WeakPolarHBondContact CD-OG1 3.22Å; P485-T502 VanDerWaalsContact N-OG1 3.12Å; P485-T502 PolarHBondContact O-N 3.2Å; P485-T502 PolarHBondContact O-OG1 2.91Å; P485-T502 VanDerWaalsContact O-OG1 3.08Å
486	T	98.4	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.1	179.5	-42.8	0	0	0	0	109.8	F445 A459 G460 T465 A484 C500	F445-T486 WeakPolarHBondContact CD2-O 3.41Å; A459-T486 HydrophobicContact CB-CG2 3.83Å; G460-T486 PolarHBondContact O-N 3.09Å; T465-T486 HydrophobicContact CG2-CG2 3.8Å; A484-T486 PolarHBondContact O-N 2.93Å; T486-C500 CarbonylContact C-O 3.57Å; T486-C500 WeakPolarHBondContact CA-O 3.36Å; T486-C500 VanDerWaalsContact CG2-O 3.27Å; T486-C500 WeakPolarHBondContact CG2-O 3.38Å
487	L	97.5	Very high	98	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-51.3	-168.1	-59.7	-174.6	0	0	0	113.2	C235 F445 A446 C500 T502	C235-L487 HydrophobicContact CB-CD2 4.2Å; F445-L487 WeakPolarHBondContact CB-O 3.47Å; F445-L487 HydrophobicContact CD2-CD2 3.99Å; F445-L487 HydrophobicContact CE2-CD2 4.2Å; A446-L487 WeakPolarHBondContact CB-O 3.33Å; L487-C500 PolarHBondContact N-O 2.82Å; L487-T502 HydrophobicContact CD1-CG2 3.87Å; L487-T502 HydrophobicContact CD2-CG2 3.93Å; L487-T502 HydrophobicContact CG-CG2 4.02Å
488	D	98.6	Very high	98.1	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157	-174	-175.1	30.8	0	0	0	111.8	S499 C500 A529 I530 K531	D488-S499 WeakPolarHBondContact O-CA 3.25Å; D488-C500 PolarHBondContact O-N 3.33Å; D488-C500 VanDerWaalsContact O-N 3.09Å; D488-A529 VanDerWaalsContact OD2-CA 3.3Å; D488-A529 WeakPolarHBondContact OD2-CA 3.21Å; D488-I530 HydrophobicContact CB-CG1 4.36Å; D488-I530 PolarHBondContact OD2-N 3.44Å; D488-I530 VanDerWaalsContact OD2-O 3.09Å; D488-K531 IonicContact OD1-NZ 3.57Å; D488-K531 PolarHBondContact OD1-NZ 3.09Å; D488-K531 IonicContact OD2-NZ 3.11Å; D488-K531 PolarHBondContact OD2-NZ 3.03Å
489	V	98.8	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.8	-180	-84.3	0	0	0	0	111.1	A446 L457 A459 T465 F497 A498 K531	A446-V489 HydrophobicContact CB-CG2 3.76Å; L457-V489 HydrophobicContact CD2-CB 3.68Å; L457-V489 HydrophobicContact CD2-CG1 3.87Å; L457-V489 HydrophobicContact CD2-CG2 4.17Å; L457-V489 HydrophobicContact CG-CB 4.1Å; L457-V489 HydrophobicContact CG-CG1 4.08Å; L457-V489 HydrophobicContact CG-CG2 4.14Å; A459-V489 HydrophobicContact CB-CG1 3.92Å; A459-V489 HydrophobicContact CB-CG2 4.22Å; T465-V489 HydrophobicContact CG2-CG1 3.75Å; V489-F497 HydrophobicContact CG1-CD2 4.44Å; V489-A498 VanDerWaalsContact CA-O 3.3Å; V489-A498 WeakPolarHBondContact CA-O 3.35Å; V489-K531 PolarHBondContact O-NZ 2.93Å
490	D	98.8	Very high	98.1	Very high	30 Å²	30	29.1 Å²	29.1	16%	0.16	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143.5	169	-162.4	27.1	0	0	0	113.4	F497 A498 K531 W532	D490-F497 CarbonylContact O-C 3.6Å; D490-F497 VanDerWaalsContact O-CA 3.28Å; D490-F497 WeakPolarHBondContact O-CA 3.44Å; D490-F497 WeakPolarHBondContact O-CB 3.29Å; D490-A498 PolarHBondContact N-O 3.49Å; D490-A498 PolarHBondContact O-N 2.99Å; D490-K531 HydrophobicContact CB-CD 4.1Å; D490-K531 WeakPolarHBondContact OD2-CA 3.27Å; D490-W532 PolarHBondContact O-NE1 3.34Å; D490-W532 PolarHBondContact OD2-N 2.94Å
491	W	98.6	Very high	98.2	Very high	24 Å²	24	25.6 Å²	25.6	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.3	-176.4	-75.3	101.5	0	0	0	111.3	K448 W449 N450 Y455 L457 I467 F497	K448-W491 PolarHBondContact O-NE1 3.48Å; W449-W491 PolarHBondContact O-NE1 2.85Å; N450-W491 HydrophobicContact CB-CD2 3.83Å; N450-W491 HydrophobicContact CB-CE3 4.14Å; N450-W491 HydrophobicContact CB-CG 4.38Å; N450-W491 HydrophobicContact CB-CH2 4.04Å; N450-W491 HydrophobicContact CB-CZ2 3.69Å; N450-W491 HydrophobicContact CB-CZ3 4.25Å; Y455-W491 HydrophobicContact CD2-CH2 4.43Å; L457-W491 HydrophobicContact CB-CH2 4.4Å; L457-W491 HydrophobicContact CB-CZ2 3.48Å; L457-W491 VanDerWaalsContact CB-CZ2 3.48Å; L457-W491 HydrophobicContact CD2-CD2 4.41Å; L457-W491 HydrophobicContact CD2-CZ2 4.42Å; I467-W491 HydrophobicContact CD1-CH2 3.81Å; I467-W491 HydrophobicContact CD1-CZ3 4.25Å; I467-W491 HydrophobicContact CG1-CH2 4Å; I467-W491 HydrophobicContact CG2-CH2 4.3Å; W491-F497 HydrophobicContact CD2-CB 4.38Å; W491-F497 HydrophobicContact CE3-CB 4.07Å
492	Q	98.1	Very high	98.2	Very high	54 Å²	54	24.1 Å²	24.1	25%	0.252	14%	0.138	S	C	.	.	S	Bend	trans	-80.9	-38.5	171.7	-165.9	-172.9	21.7	0	0	111.3	S496 W532 G536	Q492-S496 PolarHBondContact N-O 2.84Å; Q492-S496 PolarHBondContact OE1-OG 2.98Å; Q492-W532 HydrophobicContact CB-CD2 4.01Å; Q492-W532 HydrophobicContact CB-CG 4.34Å; Q492-W532 HydrophobicContact CB-CZ2 3.88Å; Q492-W532 HydrophobicContact CG-CD2 3.81Å; Q492-W532 HydrophobicContact CG-CE3 3.95Å; Q492-W532 HydrophobicContact CG-CG 4.45Å; Q492-W532 HydrophobicContact CG-CH2 3.98Å; Q492-W532 HydrophobicContact CG-CZ2 3.82Å; Q492-W532 HydrophobicContact CG-CZ3 4.04Å; Q492-G536 PolarHBondContact NE2-O 2.9Å
493	S	96.2	Very high	98.2	Very high	42 Å²	42	24.4 Å²	24.4	29%	0.294	14%	0.14	S	C	.	.	S	Bend	trans	-139.1	-148.3	-177.1	71.2	0	0	0	0	110.9	D495 S496	S493-D495 PolarHBondContact OG-N 2.89Å; S493-D495 PolarHBondContact OG-OD1 3.18Å; S493-S496 PolarHBondContact N-O 3.24Å; S493-S496 VanDerWaalsContact OG-CB 3.29Å; S493-S496 WeakPolarHBondContact OG-CB 3.18Å; S493-S496 PolarHBondContact OG-N 2.93Å
494	L	96.6	Very high	98.2	Very high	77 Å²	77	21.4 Å²	21.4	40%	0.403	12%	0.122	S	C	.	.	S	Bend	trans	-88.4	-11.4	171.4	-58.3	-175.3	0	0	0	112.9	N450 K451 K452	N450-L494 PolarHBondContact ND2-O 2.91Å; K451-L494 HydrophobicContact CB-CD2 3.93Å; K452-L494 HydrophobicContact CB-CD1 4.18Å; K452-L494 HydrophobicContact CB-CD2 3.76Å; K452-L494 HydrophobicContact CD-CD1 4.07Å
495	D	97.3	Very high	98.2	Very high	57 Å²	57	21.6 Å²	21.6	31%	0.305	12%	0.12	S	C	.	.	S	Bend	trans	-145.4	-16.5	-165	65.4	-46.4	0	0	0	114.1	S493 Q510 L511	S493-D495 PolarHBondContact OG-N 2.89Å; S493-D495 PolarHBondContact OG-OD1 3.18Å; D495-Q510 WeakPolarHBondContact O-CA 3.36Å; D495-Q510 PolarHBondContact OD2-NE2 2.87Å; D495-L511 HydrophobicContact CB-CB 4.43Å; D495-L511 PolarHBondContact O-N 2.99Å
496	S	98.5	Very high	98.3	Very high	8 Å²	8	20.1 Å²	20.1	6%	0.056	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.5	173.2	-177	0	0	0	0	110.6	Q492 S493 C509	Q492-S496 PolarHBondContact N-O 2.84Å; Q492-S496 PolarHBondContact OE1-OG 2.98Å; S493-S496 PolarHBondContact N-O 3.24Å; S493-S496 VanDerWaalsContact OG-CB 3.29Å; S493-S496 WeakPolarHBondContact OG-CB 3.18Å; S493-S496 PolarHBondContact OG-N 2.93Å; S496-C509 CarbonylContact C-O 3.53Å; S496-C509 VanDerWaalsContact CA-O 3.32Å; S496-C509 WeakPolarHBondContact CA-O 3.3Å
497	F	98.8	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	168.5	-179.8	69.9	-86.2	0	0	0	111.1	L457 T465 I467 F479 V489 D490 W491 V508 C509	L457-F497 HydrophobicContact CD1-CD1 4.38Å; L457-F497 HydrophobicContact CD1-CD2 4.03Å; L457-F497 HydrophobicContact CD1-CE1 4.23Å; L457-F497 HydrophobicContact CD1-CE2 3.87Å; L457-F497 HydrophobicContact CD1-CG 4.27Å; L457-F497 HydrophobicContact CD1-CZ 3.96Å; L457-F497 HydrophobicContact CD2-CB 3.57Å; L457-F497 HydrophobicContact CD2-CD1 4.24Å; L457-F497 HydrophobicContact CD2-CD2 3.48Å; L457-F497 VanDerWaalsContact CD2-CD2 3.48Å; L457-F497 HydrophobicContact CD2-CE2 4.17Å; L457-F497 HydrophobicContact CD2-CG 3.51Å; L457-F497 HydrophobicContact CG-CD2 4.39Å; T465-F497 HydrophobicContact CG2-CE2 4.2Å; T465-F497 WeakPolarHBondContact OG1-CE2 3.11Å; T465-F497 WeakPolarHBondContact OG1-CZ 3.47Å; I467-F497 HydrophobicContact CD1-CD1 3.98Å; I467-F497 HydrophobicContact CD1-CE1 3.73Å; I467-F497 HydrophobicContact CG1-CE1 4.27Å; F479-F497 HydrophobicContact CD1-CZ 4.48Å; F479-F497 HydrophobicContact CD2-CE1 4.07Å; F479-F497 AromaticContact CD2-CZ 3.72Å; F479-F497 HydrophobicContact CD2-CZ 3.72Å; F479-F497 HydrophobicContact CE1-CE1 4.32Å; F479-F497 AromaticContact CE2-CE1 3.71Å; F479-F497 HydrophobicContact CE2-CE1 3.71Å; F479-F497 AromaticContact CE2-CZ 3.86Å; F479-F497 HydrophobicContact CE2-CZ 3.86Å; F479-F497 HydrophobicContact CG-CZ 4.07Å; F479-F497 AromaticContact CZ-CE1 3.83Å; F479-F497 HydrophobicContact CZ-CE1 3.83Å; F479-F497 HydrophobicContact CZ-CZ 4.27Å; V489-F497 HydrophobicContact CG1-CD2 4.44Å; D490-F497 CarbonylContact O-C 3.6Å; D490-F497 VanDerWaalsContact O-CA 3.28Å; D490-F497 WeakPolarHBondContact O-CA 3.44Å; D490-F497 WeakPolarHBondContact O-CB 3.29Å; W491-F497 HydrophobicContact CD2-CB 4.38Å; W491-F497 HydrophobicContact CE3-CB 4.07Å; F497-V508 CarbonylContact O-C 3.57Å; F497-V508 WeakPolarHBondContact O-CA 3.15Å; F497-C509 HydrophobicContact CD1-CB 3.99Å; F497-C509 WeakPolarHBondContact CD1-O 3.41Å; F497-C509 HydrophobicContact CD2-CB 4.23Å; F497-C509 HydrophobicContact CE1-CB 3.45Å; F497-C509 VanDerWaalsContact CE1-CB 3.45Å; F497-C509 HydrophobicContact CE2-CB 3.73Å; F497-C509 HydrophobicContact CG-CB 4.36Å; F497-C509 HydrophobicContact CZ-CB 3.32Å; F497-C509 PolarHBondContact N-O 2.97Å; F497-C509 PolarHBondContact O-N 2.82Å
498	A	98.9	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.3	165.5	0	0	0	0	0	110.6	V489 D490 I506 H507 V508 I530 W532 L539	V489-A498 VanDerWaalsContact CA-O 3.3Å; V489-A498 WeakPolarHBondContact CA-O 3.35Å; D490-A498 PolarHBondContact N-O 3.49Å; D490-A498 PolarHBondContact O-N 2.99Å; A498-I506 HydrophobicContact CB-CG2 4.45Å; A498-H507 CarbonylContact C-O 3.57Å; A498-H507 VanDerWaalsContact CA-O 3.27Å; A498-H507 WeakPolarHBondContact CA-O 3.22Å; A498-V508 HydrophobicContact CB-CG2 4.36Å; A498-I530 HydrophobicContact CB-CD1 3.69Å; A498-I530 WeakPolarHBondContact O-CD1 3.44Å; A498-W532 HydrophobicContact CB-CZ2 3.97Å; A498-L539 HydrophobicContact CB-CD1 4.21Å; A498-L539 HydrophobicContact CB-CD2 3.69Å
499	S	98.8	Very high	98.3	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.014	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147	170.6	63.7	0	0	0	0	110.8	H482 D488 I506 H507 I530	H482-S499 PolarHBondContact CD2-OG 2.84Å; H482-S499 PolarHBondContact NE2-O 2.94Å; H482-S499 PolarHBondContact NE2-OG 2.83Å; D488-S499 WeakPolarHBondContact O-CA 3.25Å; S499-I506 CarbonylContact O-C 3.58Å; S499-I506 VanDerWaalsContact O-CA 3.31Å; S499-I506 WeakPolarHBondContact O-CA 3.45Å; S499-I506 WeakPolarHBondContact O-CG2 3.11Å; S499-H507 PolarHBondContact N-O 3.19Å; S499-H507 PolarHBondContact O-N 3.25Å; S499-I530 VanDerWaalsContact C-CD1 3.47Å
500	C	98.8	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	160.7	174.6	71.6	0	0	0	0	112.3	T486 L487 D488 I506 V527 I530	T486-C500 CarbonylContact C-O 3.57Å; T486-C500 WeakPolarHBondContact CA-O 3.36Å; T486-C500 VanDerWaalsContact CG2-O 3.27Å; T486-C500 WeakPolarHBondContact CG2-O 3.38Å; L487-C500 PolarHBondContact N-O 2.82Å; D488-C500 PolarHBondContact O-N 3.33Å; D488-C500 VanDerWaalsContact O-N 3.09Å; C500-I506 HydrophobicContact CB-CG1 3.98Å; C500-V527 HydrophobicContact CB-CB 3.94Å; C500-V527 HydrophobicContact CB-CG1 3.62Å; C500-V527 PolarHBondContact SG-O 3.31Å; C500-I530 HydrophobicContact CB-CB 4.49Å; C500-I530 HydrophobicContact CB-CD1 4.06Å; C500-I530 HydrophobicContact CB-CG1 4.06Å; C500-I530 HydrophobicContact CB-CG2 3.66Å
501	S	98.7	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161.7	-169.2	175.2	0	0	0	0	113.2	H482 A484 P485 D503 T504 N505 V527	H482-S501 WeakPolarHBondContact ND1-CB 3.05Å; A484-S501 VanDerWaalsContact C-OG 3.32Å; A484-S501 PolarHBondContact O-OG 2.93Å; P485-S501 WeakPolarHBondContact O-CA 3.46Å; P485-S501 WeakPolarHBondContact O-CB 3.2Å; P485-S501 PolarHBondContact O-OG 2.97Å; S501-D503 PolarHBondContact O-N 3.13Å; S501-D503 VanDerWaalsContact OG-CG 3.28Å; S501-D503 PolarHBondContact OG-N 2.92Å; S501-D503 PolarHBondContact OG-OD2 2.61Å; S501-T504 PolarHBondContact O-N 3.41Å; S501-N505 PolarHBondContact N-O 3.09Å; S501-V527 PolarHBondContact O-N 2.92Å; S501-V527 VanDerWaalsContact O-N 3.16Å
502	T	98.2	Very high	98.3	Very high	19 Å²	19	25.9 Å²	25.9	12%	0.117	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-20.2	159.1	51.4	0	0	0	0	113.4	A484 P485 L487 T504 E526	A484-T502 WeakPolarHBondContact CB-OG1 3.3Å; P485-T502 HydrophobicContact CB-CG2 4.29Å; P485-T502 VanDerWaalsContact CD-OG1 3.23Å; P485-T502 WeakPolarHBondContact CD-OG1 3.22Å; P485-T502 VanDerWaalsContact N-OG1 3.12Å; P485-T502 PolarHBondContact O-N 3.2Å; P485-T502 PolarHBondContact O-OG1 2.91Å; P485-T502 VanDerWaalsContact O-OG1 3.08Å; L487-T502 HydrophobicContact CD1-CG2 3.87Å; L487-T502 HydrophobicContact CD2-CG2 3.93Å; L487-T502 HydrophobicContact CG-CG2 4.02Å; T502-T504 PolarHBondContact O-N 3.45Å; T502-E526 WeakPolarHBondContact CB-OE1 3.28Å; T502-E526 HydrophobicContact CG2-CB 4.47Å; T502-E526 VanDerWaalsContact CG2-CD 3.43Å; T502-E526 HydrophobicContact CG2-CG 4.19Å; T502-E526 VanDerWaalsContact CG2-OE1 3.31Å; T502-E526 WeakPolarHBondContact CG2-OE1 3.22Å
503	D	98.2	Very high	98.3	Very high	20 Å²	20	25.3 Å²	25.3	11%	0.107	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	7.7	174.1	70.5	35.1	0	0	0	115.4	H482 V483 A484 S501 N505	H482-D503 WeakPolarHBondContact CA-OD2 3.48Å; H482-D503 VanDerWaalsContact CB-OD2 3.23Å; H482-D503 WeakPolarHBondContact CB-OD2 3.19Å; H482-D503 IonicContact CG-OD2 3.39Å; H482-D503 IonicContact ND1-OD1 3.44Å; H482-D503 PolarHBondContact ND1-OD1 3.14Å; H482-D503 IonicContact ND1-OD2 3.67Å; H482-D503 PolarHBondContact ND1-OD2 2.94Å; V483-D503 HydrophobicContact CG2-CB 3.53Å; V483-D503 PolarHBondContact N-OD2 3.36Å; A484-D503 HydrophobicContact CB-CB 3.86Å; S501-D503 PolarHBondContact O-N 3.13Å; S501-D503 VanDerWaalsContact OG-CG 3.28Å; S501-D503 PolarHBondContact OG-N 2.92Å; S501-D503 PolarHBondContact OG-OD2 2.61Å; D503-N505 PolarHBondContact O-N 3.26Å; D503-N505 PolarHBondContact O-ND2 2.7Å; D503-N505 VanDerWaalsContact OD1-CB 3.24Å; D503-N505 WeakPolarHBondContact OD1-CB 3.41Å; D503-N505 PolarHBondContact OD1-N 3.07Å; D503-N505 PolarHBondContact OD1-ND2 3.48Å
504	T	98.5	Very high	98.3	Very high	42 Å²	42	28.7 Å²	28.7	26%	0.258	18%	0.181	S	C	.	.	S	Bend	trans	69.5	-6.1	-178.6	82.9	0	0	0	0	115.9	S501 T502 N525	S501-T504 PolarHBondContact O-N 3.41Å; T502-T504 PolarHBondContact O-N 3.45Å; T504-N525 WeakPolarHBondContact CG2-O 3.48Å
505	N	98.4	Very high	98.3	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.139	18%	0.184	C	C	.	.			trans	-91.2	160	-179.9	-52.3	-88.3	0	0	0	112.2	H482 S501 D503 T519 Q521	H482-N505 PolarHBondContact CE1-O 3.15Å; S501-N505 PolarHBondContact N-O 3.09Å; D503-N505 PolarHBondContact O-N 3.26Å; D503-N505 PolarHBondContact O-ND2 2.7Å; D503-N505 VanDerWaalsContact OD1-CB 3.24Å; D503-N505 WeakPolarHBondContact OD1-CB 3.41Å; D503-N505 PolarHBondContact OD1-N 3.07Å; D503-N505 PolarHBondContact OD1-ND2 3.48Å; N505-T519 HydrophobicContact CB-CG2 4.18Å; N505-Q521 WeakPolarHBondContact OD1-CG 3.33Å; N505-Q521 PolarHBondContact OD1-NE2 2.8Å
506	I	98.8	Very high	98.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124	169	-54.6	162.1	0	0	0	107.8	A498 S499 C500 T519 F520 V527 I530 L539 S541 W551	A498-I506 HydrophobicContact CB-CG2 4.45Å; S499-I506 CarbonylContact O-C 3.58Å; S499-I506 VanDerWaalsContact O-CA 3.31Å; S499-I506 WeakPolarHBondContact O-CA 3.45Å; S499-I506 WeakPolarHBondContact O-CG2 3.11Å; C500-I506 HydrophobicContact CB-CG1 3.98Å; I506-T519 CarbonylContact O-C 3.59Å; I506-T519 WeakPolarHBondContact O-CA 3.28Å; I506-F520 HydrophobicContact CB-CB 4.24Å; I506-F520 HydrophobicContact CB-CD2 4.47Å; I506-F520 HydrophobicContact CG2-CD2 4.36Å; I506-F520 PolarHBondContact N-O 3.1Å; I506-F520 VanDerWaalsContact N-O 3.15Å; I506-F520 PolarHBondContact O-N 3.27Å; I506-V527 HydrophobicContact CD1-CG1 4.22Å; I506-V527 HydrophobicContact CG1-CG1 4.15Å; I506-I530 HydrophobicContact CD1-CG2 3.96Å; I506-I530 HydrophobicContact CG1-CG2 4.12Å; I506-I530 HydrophobicContact CG2-CD1 4.38Å; I506-I530 HydrophobicContact CG2-CG2 4.1Å; I506-L539 HydrophobicContact CG2-CD2 3.79Å; I506-S541 VanDerWaalsContact CD1-CB 3.42Å; I506-W551 HydrophobicContact CD1-CZ2 4.29Å
507	H	98.7	Very high	98.4	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.065	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.3	178.2	-63.3	-47.4	0	0	0	110.7	F481 H482 A498 S499 P516 T519	F481-H507 PolarHBondContact O-NE2 2.68Å; H482-H507 AromaticContact CD2-CD2 3.78Å; H482-H507 AromaticContact CE1-CD2 3.24Å; H482-H507 PolarHBondContact CE1-CD2 2.87Å; H482-H507 AromaticContact CE1-CG 3.98Å; H482-H507 AromaticContact CE1-NE2 3.79Å; H482-H507 AromaticContact CG-CD2 3.72Å; H482-H507 AromaticContact ND1-CD2 3.39Å; H482-H507 PolarHBondContact ND1-CD2 2.82Å; H482-H507 AromaticContact ND1-NE2 3.55Å; H482-H507 AromaticContact NE2-CD2 3.47Å; H482-H507 PolarHBondContact NE2-CD2 3.5Å; A498-H507 CarbonylContact C-O 3.57Å; A498-H507 VanDerWaalsContact CA-O 3.27Å; A498-H507 WeakPolarHBondContact CA-O 3.22Å; S499-H507 PolarHBondContact N-O 3.19Å; S499-H507 PolarHBondContact O-N 3.25Å; H507-P516 HydrophobicContact CB-CB 4.36Å; H507-P516 HydrophobicContact CB-CG 4.36Å; H507-T519 PolarHBondContact CE1-OG1 2.81Å; H507-T519 WeakPolarHBondContact ND1-CG2 3.43Å; H507-T519 PolarHBondContact ND1-OG1 3.07Å
508	V	98.8	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.7	166.2	-175.1	0	0	0	0	107.9	F497 A498 P516 V517 K518 F520 W532 M553	F497-V508 CarbonylContact O-C 3.57Å; F497-V508 WeakPolarHBondContact O-CA 3.15Å; A498-V508 HydrophobicContact CB-CG2 4.36Å; V508-P516 CarbonylContact O-C 3.52Å; V508-V517 PolarHBondContact O-N 3Å; V508-K518 HydrophobicContact CB-CB 4.31Å; V508-K518 PolarHBondContact N-O 2.77Å; V508-K518 PolarHBondContact O-N 3.16Å; V508-F520 HydrophobicContact CG2-CD2 4.22Å; V508-F520 HydrophobicContact CG2-CE2 3.66Å; V508-W532 HydrophobicContact CG1-CZ2 4.16Å; V508-W532 HydrophobicContact CG2-CH2 4.25Å; V508-W532 HydrophobicContact CG2-CZ2 4.07Å; V508-M553 HydrophobicContact CB-CE 4.17Å; V508-M553 HydrophobicContact CB-SD 4.3Å; V508-M553 HydrophobicContact CG1-CE 3.83Å; V508-M553 HydrophobicContact CG1-SD 4.07Å; V508-M553 HydrophobicContact CG2-CE 4.41Å; V508-M553 HydrophobicContact CG2-SD 3.91Å
509	C	98.7	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.2	-166.7	-63.2	0	0	0	0	110.1	F479 F481 S496 F497	F479-C509 HydrophobicContact CD1-CB 4.4Å; F479-C509 HydrophobicContact CE1-CB 4.49Å; F481-C509 VanDerWaalsContact CD2-SG 3.58Å; S496-C509 CarbonylContact C-O 3.53Å; S496-C509 VanDerWaalsContact CA-O 3.32Å; S496-C509 WeakPolarHBondContact CA-O 3.3Å; F497-C509 HydrophobicContact CD1-CB 3.99Å; F497-C509 WeakPolarHBondContact CD1-O 3.41Å; F497-C509 HydrophobicContact CD2-CB 4.23Å; F497-C509 HydrophobicContact CE1-CB 3.45Å; F497-C509 VanDerWaalsContact CE1-CB 3.45Å; F497-C509 HydrophobicContact CE2-CB 3.73Å; F497-C509 HydrophobicContact CG-CB 4.36Å; F497-C509 HydrophobicContact CZ-CB 3.32Å; F497-C509 PolarHBondContact N-O 2.97Å; F497-C509 PolarHBondContact O-N 2.82Å
510	Q	98.5	Very high	98.3	Very high	69 Å²	69	33.7 Å²	33.7	32%	0.322	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.1	177.3	-172.2	175.2	11.4	0	0	111	D495 G512 C513 V517	D495-Q510 WeakPolarHBondContact O-CA 3.36Å; D495-Q510 PolarHBondContact OD2-NE2 2.87Å; Q510-G512 PolarHBondContact O-N 2.84Å; Q510-C513 WeakPolarHBondContact O-CB 3.42Å; Q510-C513 PolarHBondContact O-N 2.8Å; Q510-V517 HydrophobicContact CB-CG2 3.74Å
511	L	98.2	Very high	98.3	Very high	44 Å²	44	39.9 Å²	39.9	23%	0.23	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	126.5	178.2	-176.2	64.6	0	0	0	111.2	Y455 I467 A476 Q477 D495	Y455-L511 HydrophobicContact CD2-CD2 4.41Å; Y455-L511 HydrophobicContact CE1-CD2 4.45Å; Y455-L511 HydrophobicContact CE2-CD2 3.55Å; Y455-L511 WeakPolarHBondContact OH-CD2 3.31Å; I467-L511 HydrophobicContact CD1-CB 4.2Å; I467-L511 HydrophobicContact CD1-CD1 4.13Å; A476-L511 HydrophobicContact CB-CD1 4.12Å; Q477-L511 HydrophobicContact CB-CD1 3.67Å; D495-L511 HydrophobicContact CB-CB 4.43Å; D495-L511 PolarHBondContact O-N 2.99Å
512	G	98	Very high	98.2	Very high	68 Å²	68	41.9 Å²	41.9	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-12.6	-174.1	0	0	0	0	0	114.6	Q510	Q510-G512 PolarHBondContact O-N 2.84Å
513	C	98	Very high	98.2	Very high	42 Å²	42	41.3 Å²	41.3	28%	0.284	26%	0.263	S	S	.	.			trans	-87.1	133.3	174.8	-64.1	0	0	0	0	111.2	Q477 Q510 S515	Q477-C513 PolarHBondContact NE2-O 3.08Å; Q510-C513 WeakPolarHBondContact O-CB 3.42Å; Q510-C513 PolarHBondContact O-N 2.8Å; C513-S515 VanDerWaalsContact C-N 3.34Å
514	S	96.3	Very high	98.2	Very high	114 Å²	114	48.5 Å²	48.5	80%	0.797	30%	0.296	S	S	*	.	S	Bend	trans	-88.4	2.8	177.8	53.4	0	0	0	0	114.4	F481	F481-S514 WeakPolarHBondContact CE1-O 3.48Å
515	S	97.8	Very high	98.2	Very high	67 Å²	67	49.5 Å²	49.5	47%	0.469	30%	0.3	S	S	.	.	S	Bend	trans	-140.4	165.1	174.8	65.3	0	0	0	0	109.7	F481 C513	F481-S515 VanDerWaalsContact CZ-CA 3.45Å; C513-S515 VanDerWaalsContact C-N 3.34Å
516	P	98.1	Very high	98.1	Very high	35 Å²	35	49.5 Å²	49.5	23%	0.227	30%	0.299	C	S	.	.			trans	-53.5	145.9	164.2	-22.6	32.5	0	0	0	111.1	F481 H507 V508	F481-P516 HydrophobicContact CB-CG 4.12Å; F481-P516 HydrophobicContact CD1-CG 4.45Å; F481-P516 HydrophobicContact CD2-CB 4.47Å; F481-P516 HydrophobicContact CD2-CG 3.6Å; F481-P516 HydrophobicContact CE2-CG 4.04Å; F481-P516 HydrophobicContact CG-CG 3.83Å; H507-P516 HydrophobicContact CB-CB 4.36Å; H507-P516 HydrophobicContact CB-CG 4.36Å; V508-P516 CarbonylContact O-C 3.52Å
517	V	98.2	Very high	98.1	Very high	72 Å²	72	49.4 Å²	49.4	44%	0.436	30%	0.299	S	S	.	.	S	Bend	trans	-74.8	-35.9	167.5	179.9	0	0	0	0	109.8	V508 Q510 M553	V508-V517 PolarHBondContact O-N 3Å; Q510-V517 HydrophobicContact CB-CG2 3.74Å; V517-M553 HydrophobicContact CG1-CE 4.16Å
518	K	98.2	Very high	98.1	Very high	26 Å²	26	49 Å²	49	11%	0.113	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	152.4	173.6	-166.2	175.1	174.6	83	0	109.8	V508 F520 M553 H555 D556	V508-K518 HydrophobicContact CB-CB 4.31Å; V508-K518 PolarHBondContact N-O 2.77Å; V508-K518 PolarHBondContact O-N 3.16Å; K518-F520 HydrophobicContact CD-CD1 4.49Å; K518-F520 HydrophobicContact CD-CE1 3.74Å; K518-F520 HydrophobicContact CD-CE2 4.45Å; K518-F520 HydrophobicContact CD-CZ 3.72Å; K518-F520 HydrophobicContact CG-CE1 4.47Å; K518-M553 HydrophobicContact CB-CE 3.77Å; K518-M553 HydrophobicContact CB-SD 4.46Å; K518-M553 HydrophobicContact CD-CE 3.96Å; K518-M553 HydrophobicContact CD-SD 3.93Å; K518-M553 PolarHBondContact NZ-O 2.86Å; K518-H555 WeakPolarHBondContact CE-O 3.31Å; K518-H555 PolarHBondContact NZ-O 2.84Å; K518-D556 IonicContact NZ-OD1 3.82Å; K518-D556 PolarHBondContact NZ-OD1 3.21Å
519	T	98.4	Very high	98.1	Very high	48 Å²	48	49.4 Å²	49.4	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.2	167.8	-60.3	0	0	0	0	108.2	N505 I506 H507 Q521	N505-T519 HydrophobicContact CB-CG2 4.18Å; I506-T519 CarbonylContact O-C 3.59Å; I506-T519 WeakPolarHBondContact O-CA 3.28Å; H507-T519 PolarHBondContact CE1-OG1 2.81Å; H507-T519 WeakPolarHBondContact ND1-CG2 3.43Å; H507-T519 PolarHBondContact ND1-OG1 3.07Å; T519-Q521 HydrophobicContact CG2-CG 3.84Å
520	F	98.6	Very high	98.1	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138	167.6	-60.1	-69.5	0	0	0	109.5	I506 V508 K518 L539 W551 D552 M553	I506-F520 HydrophobicContact CB-CB 4.24Å; I506-F520 HydrophobicContact CB-CD2 4.47Å; I506-F520 HydrophobicContact CG2-CD2 4.36Å; I506-F520 PolarHBondContact N-O 3.1Å; I506-F520 VanDerWaalsContact N-O 3.15Å; I506-F520 PolarHBondContact O-N 3.27Å; V508-F520 HydrophobicContact CG2-CD2 4.22Å; V508-F520 HydrophobicContact CG2-CE2 3.66Å; K518-F520 HydrophobicContact CD-CD1 4.49Å; K518-F520 HydrophobicContact CD-CE1 3.74Å; K518-F520 HydrophobicContact CD-CE2 4.45Å; K518-F520 HydrophobicContact CD-CZ 3.72Å; K518-F520 HydrophobicContact CG-CE1 4.47Å; F520-L539 HydrophobicContact CD2-CD2 4.15Å; F520-L539 HydrophobicContact CE2-CD2 3.97Å; F520-W551 HydrophobicContact CB-CD2 3.8Å; F520-W551 HydrophobicContact CB-CE3 3.69Å; F520-W551 HydrophobicContact CB-CG 4.43Å; F520-W551 HydrophobicContact CB-CH2 4.08Å; F520-W551 HydrophobicContact CB-CZ2 4.17Å; F520-W551 HydrophobicContact CB-CZ3 3.83Å; F520-W551 HydrophobicContact CD1-CB 3.87Å; F520-W551 AromaticContact CD1-CD2 3.77Å; F520-W551 HydrophobicContact CD1-CD2 3.77Å; F520-W551 AromaticContact CD1-CE3 3.37Å; F520-W551 HydrophobicContact CD1-CE3 3.37Å; F520-W551 HydrophobicContact CD1-CG 4.02Å; F520-W551 HydrophobicContact CD1-CZ3 4.12Å; F520-W551 HydrophobicContact CD2-CB 4.18Å; F520-W551 HydrophobicContact CD2-CD2 4.41Å; F520-W551 HydrophobicContact CD2-CG 4.18Å; F520-W551 HydrophobicContact CE1-CB 3.59Å; F520-W551 HydrophobicContact CE1-CD2 4.41Å; F520-W551 HydrophobicContact CE1-CE3 4.15Å; F520-W551 HydrophobicContact CE1-CG 4.25Å; F520-W551 HydrophobicContact CE2-CB 3.93Å; F520-W551 HydrophobicContact CE2-CG 4.42Å; F520-W551 HydrophobicContact CG-CB 4.14Å; F520-W551 AromaticContact CG-CD2 3.75Å; F520-W551 HydrophobicContact CG-CD2 3.75Å; F520-W551 AromaticContact CG-CE3 3.73Å; F520-W551 HydrophobicContact CG-CE3 3.73Å; F520-W551 AromaticContact CG-CG 3.97Å; F520-W551 HydrophobicContact CG-CG 3.97Å; F520-W551 HydrophobicContact CG-CZ3 4.35Å; F520-W551 HydrophobicContact CZ-CB 3.63Å; F520-W551 HydrophobicContact CZ-CG 4.45Å; F520-D552 WeakPolarHBondContact CE1-O 3.2Å; F520-D552 VanDerWaalsContact CZ-O 3.28Å; F520-D552 WeakPolarHBondContact CZ-O 3.36Å; F520-M553 HydrophobicContact CE2-SD 4.43Å; F520-M553 HydrophobicContact CZ-SD 4.13Å
521	Q	98	Very high	98.1	Very high	130 Å²	130	47.8 Å²	47.8	61%	0.607	29%	0.292	S	S	*	.			trans	-137.4	149	-178.5	-52.4	-166.5	-73	0	0	109.3	N505 T519 W551	N505-Q521 WeakPolarHBondContact OD1-CG 3.33Å; N505-Q521 PolarHBondContact OD1-NE2 2.8Å; T519-Q521 HydrophobicContact CG2-CG 3.84Å; Q521-W551 WeakPolarHBondContact O-CH2 3.09Å
522	G	97	Very high	98.1	Very high	42 Å²	42	46.4 Å²	46.4	43%	0.433	28%	0.284	S	S	.	.			trans	126.1	7.7	179.3	0	0	0	0	0	115.4	K549	G522-K549 WeakPolarHBondContact O-CE 3.3Å; G522-K549 PolarHBondContact O-NZ 3Å
523	H	98.4	Very high	98.1	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.032	25%	0.251	C	S	.	.			trans	-77.4	147.2	150.7	-84.4	-67.2	0	0	0	109.5	V527 S541 S543 D545 T547 K549	H523-V527 HydrophobicContact CB-CG2 3.74Å; H523-S541 PolarHBondContact CD2-OG 2.96Å; H523-S541 PolarHBondContact NE2-OG 2.9Å; H523-S543 VanDerWaalsContact CE1-CB 3.47Å; H523-S543 WeakPolarHBondContact CE1-CB 3.3Å; H523-S543 WeakPolarHBondContact ND1-CB 3.29Å; H523-D545 WeakPolarHBondContact CA-OD2 3.39Å; H523-D545 IonicContact CE1-OD1 2.84Å; H523-D545 IonicContact CE1-OD2 3.96Å; H523-D545 IonicContact CG-OD2 2.8Å; H523-D545 VanDerWaalsContact ND1-CG 3.33Å; H523-D545 IonicContact ND1-OD1 3.62Å; H523-D545 PolarHBondContact ND1-OD1 2.81Å; H523-D545 IonicContact ND1-OD2 3.55Å; H523-D545 PolarHBondContact ND1-OD2 3Å; H523-T547 PolarHBondContact CE1-OG1 3.23Å; H523-T547 PolarHBondContact ND1-OG1 2.97Å; H523-K549 WeakPolarHBondContact CE1-CE 3.2Å; H523-K549 WeakPolarHBondContact ND1-CE 3.31Å
524	E	98.2	Very high	97.8	Very high	170 Å²	170	43.8 Å²	43.8	79%	0.794	25%	0.254	S	S	*	.	S	Bend	trans	-106.7	-0.6	-175.5	-65.6	179.6	-171.7	0	0	112.8	D545	E524-D545 HydrophobicContact CB-CB 4.21Å; E524-D545 PolarHBondContact N-OD2 2.87Å
525	N	98	Very high	97.6	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.342	23%	0.234	S	C	.	.	S	Bend	trans	-150.1	-175.7	177.3	-156.3	-1.3	0	0	0	110.7	T504 V527 S543 D544 D545	T504-N525 WeakPolarHBondContact CG2-O 3.48Å; N525-V527 PolarHBondContact O-N 3.22Å; N525-S543 PolarHBondContact O-OG 2.86Å; N525-D544 HydrophobicContact CB-CB 4.08Å; N525-D544 WeakPolarHBondContact ND2-CB 3.31Å; N525-D545 HydrophobicContact CB-CB 3.98Å
526	E	98.1	Very high	97.5	Very high	25 Å²	25	39 Å²	39	12%	0.117	22%	0.217	C	C	.	.			trans	-51.7	136.5	-177.7	-50.3	-158.7	149.1	0	0	112.5	P233 T502 S543 D544	P233-E526 WeakPolarHBondContact CB-OE1 3.32Å; T502-E526 WeakPolarHBondContact CB-OE1 3.28Å; T502-E526 HydrophobicContact CG2-CB 4.47Å; T502-E526 VanDerWaalsContact CG2-CD 3.43Å; T502-E526 HydrophobicContact CG2-CG 4.19Å; T502-E526 VanDerWaalsContact CG2-OE1 3.31Å; T502-E526 WeakPolarHBondContact CG2-OE1 3.22Å; E526-S543 WeakPolarHBondContact O-CA 3.48Å; E526-S543 WeakPolarHBondContact O-CB 3.37Å; E526-S543 PolarHBondContact O-OG 3.28Å; E526-D544 PolarHBondContact O-N 3.01Å; E526-D544 VanDerWaalsContact O-N 3.1Å
527	V	98.7	Very high	97.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	103.2	178.3	-177.7	0	0	0	0	109	C500 S501 I506 H523 N525 I530 C542	C500-V527 HydrophobicContact CB-CB 3.94Å; C500-V527 HydrophobicContact CB-CG1 3.62Å; C500-V527 PolarHBondContact SG-O 3.31Å; S501-V527 PolarHBondContact O-N 2.92Å; S501-V527 VanDerWaalsContact O-N 3.16Å; I506-V527 HydrophobicContact CD1-CG1 4.22Å; I506-V527 HydrophobicContact CG1-CG1 4.15Å; H523-V527 HydrophobicContact CB-CG2 3.74Å; N525-V527 PolarHBondContact O-N 3.22Å; V527-I530 HydrophobicContact CG1-CG2 4.16Å; V527-C542 CarbonylContact C-O 3.5Å; V527-C542 WeakPolarHBondContact CG1-O 3.43Å
528	N	97.6	Very high	97.3	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.032	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-40.7	-171.1	-70.6	-44.9	0	0	0	113.8	C542 D544 I569	N528-C542 PolarHBondContact N-O 2.58Å; N528-D544 PolarHBondContact ND2-OD1 2.91Å; N528-I569 PolarHBondContact ND2-O 3.23Å
529	A	98.4	Very high	97.4	Very high	8 Å²	8	40 Å²	40	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149.3	-175	0	0	0	0	0	112.4	D488 S541 C542 I572	D488-A529 VanDerWaalsContact OD2-CA 3.3Å; D488-A529 WeakPolarHBondContact OD2-CA 3.21Å; A529-S541 WeakPolarHBondContact O-CA 3.21Å; A529-C542 PolarHBondContact O-N 3.21Å; A529-C542 VanDerWaalsContact O-N 3.09Å; A529-I572 HydrophobicContact CB-CG1 4Å
530	I	98.8	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135	175.4	48.3	162.2	0	0	0	110.9	D488 A498 S499 C500 I506 V527 L539 A540	D488-I530 HydrophobicContact CB-CG1 4.36Å; D488-I530 PolarHBondContact OD2-N 3.44Å; D488-I530 VanDerWaalsContact OD2-O 3.09Å; A498-I530 HydrophobicContact CB-CD1 3.69Å; A498-I530 WeakPolarHBondContact O-CD1 3.44Å; S499-I530 VanDerWaalsContact C-CD1 3.47Å; C500-I530 HydrophobicContact CB-CB 4.49Å; C500-I530 HydrophobicContact CB-CD1 4.06Å; C500-I530 HydrophobicContact CB-CG1 4.06Å; C500-I530 HydrophobicContact CB-CG2 3.66Å; I506-I530 HydrophobicContact CD1-CG2 3.96Å; I506-I530 HydrophobicContact CG1-CG2 4.12Å; I506-I530 HydrophobicContact CG2-CD1 4.38Å; I506-I530 HydrophobicContact CG2-CG2 4.1Å; V527-I530 HydrophobicContact CG1-CG2 4.16Å; I530-L539 HydrophobicContact CB-CD1 4.14Å; I530-A540 CarbonylContact C-O 3.54Å; I530-A540 VanDerWaalsContact CA-O 3.25Å; I530-A540 WeakPolarHBondContact CA-O 3.37Å
531	K	98.7	Very high	97.4	Very high	34 Å²	34	37.6 Å²	37.6	15%	0.148	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.8	174.4	-63.9	-66.9	157.7	-104.6	0	112	D488 V489 D490 A540 W574	D488-K531 IonicContact OD1-NZ 3.57Å; D488-K531 PolarHBondContact OD1-NZ 3.09Å; D488-K531 IonicContact OD2-NZ 3.11Å; D488-K531 PolarHBondContact OD2-NZ 3.03Å; V489-K531 PolarHBondContact O-NZ 2.93Å; D490-K531 HydrophobicContact CB-CD 4.1Å; D490-K531 WeakPolarHBondContact OD2-CA 3.27Å; K531-A540 PolarHBondContact N-O 3.09Å; K531-A540 PolarHBondContact O-N 3.08Å; K531-W574 PolarHBondContact O-NE1 3.06Å
532	W	98.5	Very high	97.4	Very high	15 Å²	15	31.4 Å²	31.4	6%	0.057	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	146.8	173.4	-70.5	99.5	0	0	0	111.3	D490 Q492 A498 V508 L538 L539 M553 W574	D490-W532 PolarHBondContact O-NE1 3.34Å; D490-W532 PolarHBondContact OD2-N 2.94Å; Q492-W532 HydrophobicContact CB-CD2 4.01Å; Q492-W532 HydrophobicContact CB-CG 4.34Å; Q492-W532 HydrophobicContact CB-CZ2 3.88Å; Q492-W532 HydrophobicContact CG-CD2 3.81Å; Q492-W532 HydrophobicContact CG-CE3 3.95Å; Q492-W532 HydrophobicContact CG-CG 4.45Å; Q492-W532 HydrophobicContact CG-CH2 3.98Å; Q492-W532 HydrophobicContact CG-CZ2 3.82Å; Q492-W532 HydrophobicContact CG-CZ3 4.04Å; A498-W532 HydrophobicContact CB-CZ2 3.97Å; V508-W532 HydrophobicContact CG1-CZ2 4.16Å; V508-W532 HydrophobicContact CG2-CH2 4.25Å; V508-W532 HydrophobicContact CG2-CZ2 4.07Å; W532-L538 CarbonylContact C-O 3.51Å; W532-L538 WeakPolarHBondContact CA-O 3.42Å; W532-L539 HydrophobicContact CD2-CB 4.24Å; W532-L539 HydrophobicContact CD2-CD1 3.88Å; W532-L539 HydrophobicContact CE3-CB 3.92Å; W532-L539 HydrophobicContact CE3-CD1 4.41Å; W532-L539 HydrophobicContact CG-CD1 4.03Å; W532-L539 HydrophobicContact CH2-CB 4.11Å; W532-L539 HydrophobicContact CH2-CD2 4.35Å; W532-L539 HydrophobicContact CZ2-CB 4.41Å; W532-L539 HydrophobicContact CZ2-CD1 4.38Å; W532-L539 HydrophobicContact CZ2-CD2 4.09Å; W532-L539 HydrophobicContact CZ3-CB 3.85Å; W532-M553 HydrophobicContact CH2-CG 4.38Å; W532-M553 HydrophobicContact CH2-SD 3.99Å; W532-W574 VanDerWaalsContact C-CD1 3.45Å; W532-W574 VanDerWaalsContact C-NE1 3.33Å; W532-W574 PolarHBondContact O-NE1 2.9Å
533	D	97.5	Very high	97.5	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.145	C	C	.	.			trans	-67	159.8	169.5	85.8	-35	0	0	0	110.7	N535 G536 R537 L538 W574 L588	D533-N535 PolarHBondContact O-N 2.9Å; D533-N535 PolarHBondContact OD2-ND2 3.15Å; D533-G536 PolarHBondContact O-N 3.47Å; D533-G536 PolarHBondContact OD1-N 2.93Å; D533-R537 PolarHBondContact OD1-N 2.8Å; D533-R537 IonicContact OD2-NE 3.67Å; D533-R537 IonicContact OD2-NH2 2.71Å; D533-L538 HydrophobicContact CB-CB 4.12Å; D533-L538 PolarHBondContact N-O 3.44Å; D533-L538 PolarHBondContact OD1-N 2.93Å; D533-W574 HydrophobicContact CB-CD2 3.88Å; D533-W574 HydrophobicContact CB-CE3 4.09Å; D533-W574 HydrophobicContact CB-CG 4.38Å; D533-W574 HydrophobicContact CB-CH2 4.11Å; D533-W574 HydrophobicContact CB-CZ2 3.92Å; D533-W574 HydrophobicContact CB-CZ3 4.19Å; D533-L588 HydrophobicContact CB-CD2 4.16Å
534	P	93	Very high	97.5	Very high	53 Å²	53	29.9 Å²	29.9	34%	0.344	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-5.2	-169.6	-26.7	35.6	0	0	0	116.9	T581 L588	P534-T581 HydrophobicContact CB-CG2 3.38Å; P534-T581 HydrophobicContact CG-CG2 3.84Å; P534-L588 HydrophobicContact CG-CD1 4.32Å
535	N	91.5	Very high	97.5	Very high	70 Å²	70	23.2 Å²	23.2	37%	0.374	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	0.2	175.5	61.8	91.9	0	0	0	114.2	D533 R537	D533-N535 PolarHBondContact O-N 2.9Å; D533-N535 PolarHBondContact OD2-ND2 3.15Å; N535-R537 WeakPolarHBondContact OD1-CB 3.25Å; N535-R537 PolarHBondContact OD1-NE 3.47Å
536	G	95.1	Very high	97.6	Very high	11 Å²	11	23.7 Å²	23.7	11%	0.113	12%	0.118	C	C	.	.	S	Bend	trans	76.5	19	173.5	0	0	0	0	0	115.3	Q492 D533	Q492-G536 PolarHBondContact NE2-O 2.9Å; D533-G536 PolarHBondContact O-N 3.47Å; D533-G536 PolarHBondContact OD1-N 2.93Å
537	R	95.9	Very high	97.6	Very high	131 Å²	131	22.9 Å²	22.9	49%	0.494	12%	0.115	S	C	.	.	S	Bend	trans	-94	-40.7	-177.5	173.7	-176.4	56.5	148.1	5.2	112.2	D533 N535	D533-R537 PolarHBondContact OD1-N 2.8Å; D533-R537 IonicContact OD2-NE 3.67Å; D533-R537 IonicContact OD2-NH2 2.71Å; N535-R537 WeakPolarHBondContact OD1-CB 3.25Å; N535-R537 PolarHBondContact OD1-NE 3.47Å
538	L	97.5	Very high	97.6	Very high	21 Å²	21	23 Å²	23	11%	0.11	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.9	-178.5	-60.1	178.7	0	0	0	110.1	W532 D533 V550 W551 D552 W574 V604	W532-L538 CarbonylContact C-O 3.51Å; W532-L538 WeakPolarHBondContact CA-O 3.42Å; D533-L538 HydrophobicContact CB-CB 4.12Å; D533-L538 PolarHBondContact N-O 3.44Å; D533-L538 PolarHBondContact OD1-N 2.93Å; L538-V550 HydrophobicContact CB-CG1 4.22Å; L538-V550 HydrophobicContact CD1-CG1 4.28Å; L538-V550 HydrophobicContact CD2-CG1 4.37Å; L538-W551 WeakPolarHBondContact CA-O 3.41Å; L538-D552 HydrophobicContact CD2-CB 4.03Å; L538-W574 HydrophobicContact CB-CH2 3.99Å; L538-W574 HydrophobicContact CB-CZ2 4.07Å; L538-W574 HydrophobicContact CD1-CH2 4.15Å; L538-V604 HydrophobicContact CD1-CG1 3.87Å
539	L	98.7	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.4	169.6	-175.9	57.8	0	0	0	107.8	A498 I506 F520 I530 W532 V550 W551	A498-L539 HydrophobicContact CB-CD1 4.21Å; A498-L539 HydrophobicContact CB-CD2 3.69Å; I506-L539 HydrophobicContact CG2-CD2 3.79Å; F520-L539 HydrophobicContact CD2-CD2 4.15Å; F520-L539 HydrophobicContact CE2-CD2 3.97Å; I530-L539 HydrophobicContact CB-CD1 4.14Å; W532-L539 HydrophobicContact CD2-CB 4.24Å; W532-L539 HydrophobicContact CD2-CD1 3.88Å; W532-L539 HydrophobicContact CE3-CB 3.92Å; W532-L539 HydrophobicContact CE3-CD1 4.41Å; W532-L539 HydrophobicContact CG-CD1 4.03Å; W532-L539 HydrophobicContact CH2-CB 4.11Å; W532-L539 HydrophobicContact CH2-CD2 4.35Å; W532-L539 HydrophobicContact CZ2-CB 4.41Å; W532-L539 HydrophobicContact CZ2-CD1 4.38Å; W532-L539 HydrophobicContact CZ2-CD2 4.09Å; W532-L539 HydrophobicContact CZ3-CB 3.85Å; L539-V550 CarbonylContact O-C 3.6Å; L539-V550 WeakPolarHBondContact O-CA 3.3Å; L539-W551 HydrophobicContact CB-CB 4.38Å; L539-W551 PolarHBondContact N-O 2.85Å; L539-W551 PolarHBondContact O-N 2.81Å
540	A	98.8	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.6	167.1	0	0	0	0	0	109.6	I530 K531 K549 I572 W574 L590	I530-A540 CarbonylContact C-O 3.54Å; I530-A540 VanDerWaalsContact CA-O 3.25Å; I530-A540 WeakPolarHBondContact CA-O 3.37Å; K531-A540 PolarHBondContact N-O 3.09Å; K531-A540 PolarHBondContact O-N 3.08Å; A540-K549 CarbonylContact C-O 3.55Å; A540-K549 WeakPolarHBondContact CA-O 3.46Å; A540-I572 VanDerWaalsContact C-CD1 3.47Å; A540-I572 HydrophobicContact CB-CD1 3.81Å; A540-I572 VanDerWaalsContact O-CD1 3.27Å; A540-I572 WeakPolarHBondContact O-CD1 3.33Å; A540-W574 HydrophobicContact CB-CZ2 3.56Å; A540-L590 HydrophobicContact CB-CD1 3.67Å; A540-L590 HydrophobicContact CB-CD2 3.87Å; A540-L590 HydrophobicContact CB-CG 4.46Å
541	S	98.8	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.3	172.2	61	0	0	0	0	111.5	I506 H523 A529 L548 K549 W551	I506-S541 VanDerWaalsContact CD1-CB 3.42Å; H523-S541 PolarHBondContact CD2-OG 2.96Å; H523-S541 PolarHBondContact NE2-OG 2.9Å; A529-S541 WeakPolarHBondContact O-CA 3.21Å; S541-L548 VanDerWaalsContact O-CA 3.23Å; S541-L548 WeakPolarHBondContact O-CA 3.48Å; S541-L548 WeakPolarHBondContact O-CB 3.34Å; S541-K549 PolarHBondContact N-O 3.15Å; S541-K549 PolarHBondContact O-N 2.93Å; S541-K549 PolarHBondContact OG-O 3.43Å; S541-W551 PolarHBondContact OG-NE1 2.92Å
542	C	98.8	Very high	97.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.4	170	70.3	0	0	0	0	111.9	V527 N528 A529 L548 I569 I572	V527-C542 CarbonylContact C-O 3.5Å; V527-C542 WeakPolarHBondContact CG1-O 3.43Å; N528-C542 PolarHBondContact N-O 2.58Å; A529-C542 PolarHBondContact O-N 3.21Å; A529-C542 VanDerWaalsContact O-N 3.09Å; C542-L548 HydrophobicContact CB-CD2 4.22Å; C542-L548 HydrophobicContact CB-CG 4.1Å; C542-I569 HydrophobicContact CB-CB 3.88Å; C542-I569 HydrophobicContact CB-CG2 3.54Å; C542-I569 PolarHBondContact SG-O 2.87Å; C542-I572 HydrophobicContact CB-CG2 3.74Å
543	S	98.8	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.4	-166.4	173.5	0	0	0	0	112.7	H523 N525 E526 D545 M546 T547 I569	H523-S543 VanDerWaalsContact CE1-CB 3.47Å; H523-S543 WeakPolarHBondContact CE1-CB 3.3Å; H523-S543 WeakPolarHBondContact ND1-CB 3.29Å; N525-S543 PolarHBondContact O-OG 2.86Å; E526-S543 WeakPolarHBondContact O-CA 3.48Å; E526-S543 WeakPolarHBondContact O-CB 3.37Å; E526-S543 PolarHBondContact O-OG 3.28Å; S543-D545 WeakPolarHBondContact CB-OD1 3.48Å; S543-D545 PolarHBondContact O-N 2.88Å; S543-D545 PolarHBondContact OG-N 3.44Å; S543-M546 PolarHBondContact O-N 2.88Å; S543-T547 PolarHBondContact N-O 2.8Å; S543-I569 PolarHBondContact O-N 3.11Å
544	D	98.4	Very high	97.5	Very high	17 Å²	17	31.5 Å²	31.5	9%	0.091	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.3	165.8	-75.1	7.2	0	0	0	113	N525 E526 N528 M546 E568	N525-D544 HydrophobicContact CB-CB 4.08Å; N525-D544 WeakPolarHBondContact ND2-CB 3.31Å; E526-D544 PolarHBondContact O-N 3.01Å; E526-D544 VanDerWaalsContact O-N 3.1Å; N528-D544 PolarHBondContact ND2-OD1 2.91Å; D544-M546 PolarHBondContact O-N 2.82Å; D544-E568 HydrophobicContact CB-CB 4.39Å; D544-E568 HydrophobicContact CB-CG 3.87Å; D544-E568 WeakPolarHBondContact OD1-CB 3.3Å
545	D	98.5	Very high	97.5	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.16	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	6.6	169.6	78.1	7	0	0	0	114.2	H523 E524 N525 S543 T547 K549	H523-D545 WeakPolarHBondContact CA-OD2 3.39Å; H523-D545 IonicContact CE1-OD1 2.84Å; H523-D545 IonicContact CE1-OD2 3.96Å; H523-D545 IonicContact CG-OD2 2.8Å; H523-D545 VanDerWaalsContact ND1-CG 3.33Å; H523-D545 IonicContact ND1-OD1 3.62Å; H523-D545 PolarHBondContact ND1-OD1 2.81Å; H523-D545 IonicContact ND1-OD2 3.55Å; H523-D545 PolarHBondContact ND1-OD2 3Å; E524-D545 HydrophobicContact CB-CB 4.21Å; E524-D545 PolarHBondContact N-OD2 2.87Å; N525-D545 HydrophobicContact CB-CB 3.98Å; S543-D545 WeakPolarHBondContact CB-OD1 3.48Å; S543-D545 PolarHBondContact O-N 2.88Å; S543-D545 PolarHBondContact OG-N 3.44Å; D545-T547 VanDerWaalsContact CG-OG1 3.29Å; D545-T547 PolarHBondContact O-N 2.78Å; D545-T547 WeakPolarHBondContact OD1-CA 3.47Å; D545-T547 VanDerWaalsContact OD1-CB 3.32Å; D545-T547 WeakPolarHBondContact OD1-CB 3.32Å; D545-T547 PolarHBondContact OD1-N 3.33Å; D545-T547 PolarHBondContact OD1-OG1 2.74Å; D545-T547 PolarHBondContact OD2-OG1 3.2Å; D545-K549 IonicContact OD2-NZ 3.05Å
546	M	98.5	Very high	97.6	Very high	74 Å²	74	36.6 Å²	36.6	37%	0.365	18%	0.176	S	C	.	.	S	Bend	trans	65.4	13.4	178.7	-39.6	-176.8	-176.4	0	0	114.4	S543 D544 T566	S543-M546 PolarHBondContact O-N 2.88Å; D544-M546 PolarHBondContact O-N 2.82Å; M546-T566 VanDerWaalsContact SD-C 3.56Å
547	T	98.6	Very high	97.6	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.5	176.7	75.6	0	0	0	0	112.7	H523 S543 D545 K549 R563	H523-T547 PolarHBondContact CE1-OG1 3.23Å; H523-T547 PolarHBondContact ND1-OG1 2.97Å; S543-T547 PolarHBondContact N-O 2.8Å; D545-T547 VanDerWaalsContact CG-OG1 3.29Å; D545-T547 PolarHBondContact O-N 2.78Å; D545-T547 WeakPolarHBondContact OD1-CA 3.47Å; D545-T547 VanDerWaalsContact OD1-CB 3.32Å; D545-T547 WeakPolarHBondContact OD1-CB 3.32Å; D545-T547 PolarHBondContact OD1-N 3.33Å; D545-T547 PolarHBondContact OD1-OG1 2.74Å; D545-T547 PolarHBondContact OD2-OG1 3.2Å; T547-K549 WeakPolarHBondContact OG1-CE 3.17Å; T547-K549 PolarHBondContact OG1-NZ 2.9Å; T547-R563 HydrophobicContact CG2-CG 4.07Å
548	L	98.6	Very high	97.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.4	157.1	-54.2	94.3	0	0	0	109.8	S541 C542 L562 I569 I572 L590 W602	S541-L548 VanDerWaalsContact O-CA 3.23Å; S541-L548 WeakPolarHBondContact O-CA 3.48Å; S541-L548 WeakPolarHBondContact O-CB 3.34Å; C542-L548 HydrophobicContact CB-CD2 4.22Å; C542-L548 HydrophobicContact CB-CG 4.1Å; L548-L562 HydrophobicContact CB-CB 4.15Å; L548-L562 HydrophobicContact CB-CD1 4.41Å; L548-L562 HydrophobicContact CD1-CB 4.45Å; L548-L562 PolarHBondContact N-O 2.83Å; L548-L562 PolarHBondContact O-N 2.92Å; L548-I569 HydrophobicContact CD1-CD1 3.59Å; L548-I569 HydrophobicContact CG-CD1 3.96Å; L548-I572 HydrophobicContact CD2-CG2 3.3Å; L548-I572 HydrophobicContact CG-CG2 4.48Å; L548-L590 HydrophobicContact CD2-CD2 4.01Å; L548-W602 HydrophobicContact CD1-CZ2 3.86Å
549	K	98.7	Very high	97.7	Very high	9 Å²	9	43.9 Å²	43.9	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.9	174.8	-63.9	174.7	-144.1	-76.3	0	110	G522 H523 A540 S541 D545 T547 W551 C558 H560 D561	G522-K549 WeakPolarHBondContact O-CE 3.3Å; G522-K549 PolarHBondContact O-NZ 3Å; H523-K549 WeakPolarHBondContact CE1-CE 3.2Å; H523-K549 WeakPolarHBondContact ND1-CE 3.31Å; A540-K549 CarbonylContact C-O 3.55Å; A540-K549 WeakPolarHBondContact CA-O 3.46Å; S541-K549 PolarHBondContact N-O 3.15Å; S541-K549 PolarHBondContact O-N 2.93Å; S541-K549 PolarHBondContact OG-O 3.43Å; D545-K549 IonicContact OD2-NZ 3.05Å; T547-K549 WeakPolarHBondContact OG1-CE 3.17Å; T547-K549 PolarHBondContact OG1-NZ 2.9Å; K549-W551 HydrophobicContact CB-CD2 4.48Å; K549-W551 HydrophobicContact CB-CH2 4.38Å; K549-W551 HydrophobicContact CB-CZ2 3.57Å; K549-W551 HydrophobicContact CD-CH2 3.94Å; K549-W551 HydrophobicContact CD-CZ2 3.68Å; K549-W551 HydrophobicContact CG-CZ2 4.23Å; K549-C558 HydrophobicContact CB-CB 3.94Å; K549-C558 HydrophobicContact CG-CB 4.33Å; K549-H560 WeakPolarHBondContact CA-O 3.32Å; K549-D561 IonicContact NZ-OD1 3.93Å; K549-D561 PolarHBondContact NZ-OD1 3.2Å
550	V	98.6	Very high	97.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.2	174.5	-176.9	0	0	0	0	107.8	L538 L539 C558 V559 H560 L562 W574 L590 V604	L538-V550 HydrophobicContact CB-CG1 4.22Å; L538-V550 HydrophobicContact CD1-CG1 4.28Å; L538-V550 HydrophobicContact CD2-CG1 4.37Å; L539-V550 CarbonylContact O-C 3.6Å; L539-V550 WeakPolarHBondContact O-CA 3.3Å; V550-C558 CarbonylContact O-C 3.5Å; V550-C558 WeakPolarHBondContact O-CA 3.48Å; V550-C558 WeakPolarHBondContact O-CB 3.44Å; V550-V559 PolarHBondContact O-N 3.16Å; V550-H560 HydrophobicContact CB-CB 4.21Å; V550-H560 HydrophobicContact CG2-CB 4.34Å; V550-H560 PolarHBondContact N-O 2.56Å; V550-H560 PolarHBondContact O-N 2.98Å; V550-L562 HydrophobicContact CG2-CD1 4.1Å; V550-W574 HydrophobicContact CG1-CH2 4.3Å; V550-L590 HydrophobicContact CG2-CD2 4.42Å; V550-V604 HydrophobicContact CG1-CG1 4.18Å
551	W	98.5	Very high	97.6	Very high	2 Å²	2	49 Å²	49	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.8	-172.2	-43.8	89.3	0	0	0	111	I506 F520 Q521 L538 L539 S541 K549 C558	I506-W551 HydrophobicContact CD1-CZ2 4.29Å; F520-W551 HydrophobicContact CB-CD2 3.8Å; F520-W551 HydrophobicContact CB-CE3 3.69Å; F520-W551 HydrophobicContact CB-CG 4.43Å; F520-W551 HydrophobicContact CB-CH2 4.08Å; F520-W551 HydrophobicContact CB-CZ2 4.17Å; F520-W551 HydrophobicContact CB-CZ3 3.83Å; F520-W551 HydrophobicContact CD1-CB 3.87Å; F520-W551 AromaticContact CD1-CD2 3.77Å; F520-W551 HydrophobicContact CD1-CD2 3.77Å; F520-W551 AromaticContact CD1-CE3 3.37Å; F520-W551 HydrophobicContact CD1-CE3 3.37Å; F520-W551 HydrophobicContact CD1-CG 4.02Å; F520-W551 HydrophobicContact CD1-CZ3 4.12Å; F520-W551 HydrophobicContact CD2-CB 4.18Å; F520-W551 HydrophobicContact CD2-CD2 4.41Å; F520-W551 HydrophobicContact CD2-CG 4.18Å; F520-W551 HydrophobicContact CE1-CB 3.59Å; F520-W551 HydrophobicContact CE1-CD2 4.41Å; F520-W551 HydrophobicContact CE1-CE3 4.15Å; F520-W551 HydrophobicContact CE1-CG 4.25Å; F520-W551 HydrophobicContact CE2-CB 3.93Å; F520-W551 HydrophobicContact CE2-CG 4.42Å; F520-W551 HydrophobicContact CG-CB 4.14Å; F520-W551 AromaticContact CG-CD2 3.75Å; F520-W551 HydrophobicContact CG-CD2 3.75Å; F520-W551 AromaticContact CG-CE3 3.73Å; F520-W551 HydrophobicContact CG-CE3 3.73Å; F520-W551 AromaticContact CG-CG 3.97Å; F520-W551 HydrophobicContact CG-CG 3.97Å; F520-W551 HydrophobicContact CG-CZ3 4.35Å; F520-W551 HydrophobicContact CZ-CB 3.63Å; F520-W551 HydrophobicContact CZ-CG 4.45Å; Q521-W551 WeakPolarHBondContact O-CH2 3.09Å; L538-W551 WeakPolarHBondContact CA-O 3.41Å; L539-W551 HydrophobicContact CB-CB 4.38Å; L539-W551 PolarHBondContact N-O 2.85Å; L539-W551 PolarHBondContact O-N 2.81Å; S541-W551 PolarHBondContact OG-NE1 2.92Å; K549-W551 HydrophobicContact CB-CD2 4.48Å; K549-W551 HydrophobicContact CB-CH2 4.38Å; K549-W551 HydrophobicContact CB-CZ2 3.57Å; K549-W551 HydrophobicContact CD-CH2 3.94Å; K549-W551 HydrophobicContact CD-CZ2 3.68Å; K549-W551 HydrophobicContact CG-CZ2 4.23Å; W551-C558 HydrophobicContact CD2-CB 4.02Å; W551-C558 VanDerWaalsContact CE3-CA 3.48Å; W551-C558 HydrophobicContact CE3-CB 3.66Å; W551-C558 HydrophobicContact CH2-CB 4.1Å; W551-C558 HydrophobicContact CZ2-CB 4.42Å; W551-C558 HydrophobicContact CZ3-CB 3.71Å
552	D	97.1	Very high	97.5	Very high	20 Å²	20	49.4 Å²	49.4	11%	0.107	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	164.7	166.6	74.7	47.8	0	0	0	110.3	F520 L538 H554 H555 V559	F520-D552 WeakPolarHBondContact CE1-O 3.2Å; F520-D552 VanDerWaalsContact CZ-O 3.28Å; F520-D552 WeakPolarHBondContact CZ-O 3.36Å; L538-D552 HydrophobicContact CD2-CB 4.03Å; D552-H554 VanDerWaalsContact C-N 3.27Å; D552-H554 PolarHBondContact O-N 3.02Å; D552-H554 VanDerWaalsContact OD1-CA 3.31Å; D552-H554 WeakPolarHBondContact OD1-CA 3.12Å; D552-H554 WeakPolarHBondContact OD1-CB 3.44Å; D552-H554 IonicContact OD1-CG 3.23Å; D552-H554 PolarHBondContact OD1-N 2.99Å; D552-H555 VanDerWaalsContact CG-ND1 3.32Å; D552-H555 IonicContact OD1-CG 3.77Å; D552-H555 PolarHBondContact OD1-N 2.96Å; D552-H555 IonicContact OD1-ND1 2.68Å; D552-H555 PolarHBondContact OD1-ND1 3.08Å; D552-H555 IonicContact OD2-CE1 3.13Å; D552-H555 IonicContact OD2-CG 2.77Å; D552-H555 IonicContact OD2-ND1 2.7Å; D552-H555 PolarHBondContact OD2-ND1 2.91Å; D552-V559 HydrophobicContact CB-CG2 4.12Å; D552-V559 VanDerWaalsContact OD2-CG2 3.29Å; D552-V559 WeakPolarHBondContact OD2-CG2 3.35Å
553	M	97.7	Very high	97.5	Very high	53 Å²	53	57.1 Å²	57.1	26%	0.261	27%	0.268	S	S	.	.	S	Bend	trans	-74.7	-13	-177.2	-67.3	-60.3	-70	0	0	114.3	V508 V517 K518 F520 W532	V508-M553 HydrophobicContact CB-CE 4.17Å; V508-M553 HydrophobicContact CB-SD 4.3Å; V508-M553 HydrophobicContact CG1-CE 3.83Å; V508-M553 HydrophobicContact CG1-SD 4.07Å; V508-M553 HydrophobicContact CG2-CE 4.41Å; V508-M553 HydrophobicContact CG2-SD 3.91Å; V517-M553 HydrophobicContact CG1-CE 4.16Å; K518-M553 HydrophobicContact CB-CE 3.77Å; K518-M553 HydrophobicContact CB-SD 4.46Å; K518-M553 HydrophobicContact CD-CE 3.96Å; K518-M553 HydrophobicContact CD-SD 3.93Å; K518-M553 PolarHBondContact NZ-O 2.86Å; F520-M553 HydrophobicContact CE2-SD 4.43Å; F520-M553 HydrophobicContact CZ-SD 4.13Å; W532-M553 HydrophobicContact CH2-CG 4.38Å; W532-M553 HydrophobicContact CH2-SD 3.99Å
554	H	96.9	Very high	97.4	Very high	162 Å²	162	58.4 Å²	58.4	75%	0.75	28%	0.282	S	S	*	.	S	Bend	trans	-89.3	-29.4	-174.2	-54.8	-56.3	0	0	0	113.2	D552	D552-H554 VanDerWaalsContact C-N 3.27Å; D552-H554 PolarHBondContact O-N 3.02Å; D552-H554 VanDerWaalsContact OD1-CA 3.31Å; D552-H554 WeakPolarHBondContact OD1-CA 3.12Å; D552-H554 WeakPolarHBondContact OD1-CB 3.44Å; D552-H554 IonicContact OD1-CG 3.23Å; D552-H554 PolarHBondContact OD1-N 2.99Å
555	H	94.4	Very high	97.4	Very high	109 Å²	109	58.1 Å²	58.1	51%	0.505	28%	0.28	S	S	.	.			trans	-110	149.2	-178.4	-55.4	101.8	0	0	0	111.6	K518 D552	K518-H555 WeakPolarHBondContact CE-O 3.31Å; K518-H555 PolarHBondContact NZ-O 2.84Å; D552-H555 VanDerWaalsContact CG-ND1 3.32Å; D552-H555 IonicContact OD1-CG 3.77Å; D552-H555 PolarHBondContact OD1-N 2.96Å; D552-H555 IonicContact OD1-ND1 2.68Å; D552-H555 PolarHBondContact OD1-ND1 3.08Å; D552-H555 IonicContact OD2-CE1 3.13Å; D552-H555 IonicContact OD2-CG 2.77Å; D552-H555 IonicContact OD2-ND1 2.7Å; D552-H555 PolarHBondContact OD2-ND1 2.91Å
556	D	93.2	Very high	97.4	Very high	121 Å²	121	61.5 Å²	61.5	65%	0.647	30%	0.302	S	S	*	.	S	Bend	trans	-92.7	-11.6	177	-58.7	-41.6	0	0	0	113	K518	K518-D556 IonicContact NZ-OD1 3.82Å; K518-D556 PolarHBondContact NZ-OD1 3.21Å
557	R	95.2	Very high	97.4	Very high	213 Å²	213	61.7 Å²	61.7	80%	0.804	30%	0.301	S	S	*	.	S	Bend	trans	-99.7	153.2	170.4	-64	-176.4	178.1	-162.3	-3.2	109.5
558	C	96.9	Very high	97.3	Very high	39 Å²	39	63.9 Å²	63.9	26%	0.264	31%	0.31	S	S	.	.			trans	-58.3	137.7	169.4	56.8	0	0	0	0	111	K549 V550 W551 H560	K549-C558 HydrophobicContact CB-CB 3.94Å; K549-C558 HydrophobicContact CG-CB 4.33Å; V550-C558 CarbonylContact O-C 3.5Å; V550-C558 WeakPolarHBondContact O-CA 3.48Å; V550-C558 WeakPolarHBondContact O-CB 3.44Å; W551-C558 HydrophobicContact CD2-CB 4.02Å; W551-C558 VanDerWaalsContact CE3-CA 3.48Å; W551-C558 HydrophobicContact CE3-CB 3.66Å; W551-C558 HydrophobicContact CH2-CB 4.1Å; W551-C558 HydrophobicContact CZ2-CB 4.42Å; W551-C558 HydrophobicContact CZ3-CB 3.71Å; C558-H560 VanDerWaalsContact C-N 3.3Å; C558-H560 WeakPolarHBondContact CB-O 3.36Å
559	V	97.3	Very high	97.3	Very high	64 Å²	64	63.9 Å²	63.9	39%	0.388	31%	0.31	S	S	.	.	S	Bend	trans	-65.2	-38.2	172	-172.8	0	0	0	0	110.1	V550 D552	V550-V559 PolarHBondContact O-N 3.16Å; D552-V559 HydrophobicContact CB-CG2 4.12Å; D552-V559 VanDerWaalsContact OD2-CG2 3.29Å; D552-V559 WeakPolarHBondContact OD2-CG2 3.35Å
560	H	97.6	Very high	97.1	Very high	47 Å²	47	64.3 Å²	64.3	22%	0.218	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.1	172.9	-59.5	-66.9	0	0	0	111.5	K549 V550 C558 L562 V604	K549-H560 WeakPolarHBondContact CA-O 3.32Å; V550-H560 HydrophobicContact CB-CB 4.21Å; V550-H560 HydrophobicContact CG2-CB 4.34Å; V550-H560 PolarHBondContact N-O 2.56Å; V550-H560 PolarHBondContact O-N 2.98Å; C558-H560 VanDerWaalsContact C-N 3.3Å; C558-H560 WeakPolarHBondContact CB-O 3.36Å; H560-L562 HydrophobicContact CB-CD2 3.77Å; H560-L562 HydrophobicContact CB-CG 4.04Å; H560-V604 PolarHBondContact NE2-O 3.35Å; H560-V604 VanDerWaalsContact NE2-O 3.13Å
561	D	97.7	Very high	97.1	Very high	61 Å²	61	65 Å²	65	33%	0.326	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	91.5	168	-177.3	42	0	0	0	107.2	K549 R563	K549-D561 IonicContact NZ-OD1 3.93Å; K549-D561 PolarHBondContact NZ-OD1 3.2Å; D561-R563 IonicContact OD2-CZ 3.71Å; D561-R563 IonicContact OD2-NE 3.04Å; D561-R563 PolarHBondContact OD2-NE 3.17Å; D561-R563 IonicContact OD2-NH2 3Å; D561-R563 PolarHBondContact OD2-NH2 3.23Å
562	L	98.1	Very high	97.1	Very high	7 Å²	7	65 Å²	65	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.7	-171.6	-52.9	174.1	0	0	0	109.2	L548 V550 H560 L590 W602 G607	L548-L562 HydrophobicContact CB-CB 4.15Å; L548-L562 HydrophobicContact CB-CD1 4.41Å; L548-L562 HydrophobicContact CD1-CB 4.45Å; L548-L562 PolarHBondContact N-O 2.83Å; L548-L562 PolarHBondContact O-N 2.92Å; V550-L562 HydrophobicContact CG2-CD1 4.1Å; H560-L562 HydrophobicContact CB-CD2 3.77Å; H560-L562 HydrophobicContact CB-CG 4.04Å; L562-L590 HydrophobicContact CD1-CD2 4.25Å; L562-W602 HydrophobicContact CB-CD2 4.32Å; L562-W602 HydrophobicContact CB-CE3 4.05Å; L562-W602 HydrophobicContact CB-CH2 4.15Å; L562-W602 HydrophobicContact CB-CZ2 4.4Å; L562-W602 HydrophobicContact CB-CZ3 3.95Å; L562-W602 HydrophobicContact CD1-CB 4.21Å; L562-W602 HydrophobicContact CD1-CD2 4.03Å; L562-W602 HydrophobicContact CD1-CE3 4.19Å; L562-W602 HydrophobicContact CD1-CG 4.04Å; L562-W602 HydrophobicContact CD2-CE3 4.14Å; L562-W602 HydrophobicContact CD2-CZ3 4.49Å; L562-W602 HydrophobicContact CG-CE3 4.36Å; L562-G607 VanDerWaalsContact CD2-O 3.28Å; L562-G607 WeakPolarHBondContact CD2-O 3.32Å
563	R	97.8	Very high	97.2	Very high	162 Å²	162	66.4 Å²	66.4	61%	0.611	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.5	-176.3	-57.5	-172.2	-178.9	-135.6	-4.3	111.4	T547 D561 W602	T547-R563 HydrophobicContact CG2-CG 4.07Å; D561-R563 IonicContact OD2-CZ 3.71Å; D561-R563 IonicContact OD2-NE 3.04Å; D561-R563 PolarHBondContact OD2-NE 3.17Å; D561-R563 IonicContact OD2-NH2 3Å; D561-R563 PolarHBondContact OD2-NH2 3.23Å; R563-W602 WeakPolarHBondContact O-CH2 3.25Å
564	G	96.9	Very high	97.2	Very high	27 Å²	27	65 Å²	65	28%	0.278	31%	0.313	S	S	.	.			trans	150.8	-14.9	171.2	0	0	0	0	0	115.5	R600	G564-R600 PolarHBondContact O-NE 3.25Å; G564-R600 PolarHBondContact O-NH2 2.89Å
565	H	98.3	Very high	97.3	Very high	11 Å²	11	57.3 Å²	57.3	5%	0.051	28%	0.278	C	S	.	.			trans	-64.5	149.5	159	-76.4	-68.9	0	0	0	109.2	I569 S592 S594 D596 T598	H565-I569 HydrophobicContact CB-CD1 3.92Å; H565-I569 HydrophobicContact CB-CG1 3.89Å; H565-S592 PolarHBondContact NE2-OG 2.88Å; H565-S594 WeakPolarHBondContact ND1-CB 3.34Å; H565-D596 WeakPolarHBondContact CA-OD2 3.33Å; H565-D596 WeakPolarHBondContact CB-OD2 3.49Å; H565-D596 IonicContact CE1-OD1 2.86Å; H565-D596 IonicContact CG-OD2 3.33Å; H565-D596 IonicContact ND1-OD1 2.68Å; H565-D596 PolarHBondContact ND1-OD1 2.83Å; H565-D596 VanDerWaalsContact ND1-OD1 3.13Å; H565-D596 IonicContact ND1-OD2 3.35Å; H565-D596 PolarHBondContact ND1-OD2 2.76Å; H565-D596 VanDerWaalsContact ND1-OD2 3.09Å; H565-T598 PolarHBondContact CE1-O 2.7Å; H565-T598 PolarHBondContact CE1-OG1 2.91Å; H565-T598 VanDerWaalsContact CE1-OG1 3.23Å; H565-T598 PolarHBondContact ND1-OG1 3.02Å
566	T	98.3	Very high	97.3	Very high	102 Å²	102	54.2 Å²	54.2	63%	0.626	27%	0.267	S	S	*	.	S	Bend	trans	-106.9	3.7	-175.7	56	0	0	0	0	113	M546 D596	M546-T566 VanDerWaalsContact SD-C 3.56Å; T566-D596 PolarHBondContact N-OD2 3.04Å; T566-D596 VanDerWaalsContact OG1-CB 3.28Å; T566-D596 WeakPolarHBondContact OG1-CB 3.27Å; T566-D596 PolarHBondContact OG1-OD2 3.36Å
567	K	98.3	Very high	97.5	Very high	78 Å²	78	48.7 Å²	48.7	34%	0.339	24%	0.238	S	C	.	.	S	Bend	trans	-153.2	-178.3	178.8	-61	-157.2	-151.8	158.1	0	110.2	S594 F595 D596	K567-S594 PolarHBondContact O-OG 2.87Å; K567-F595 HydrophobicContact CB-CB 4.03Å; K567-F595 HydrophobicContact CB-CD1 4.31Å; K567-F595 HydrophobicContact CD-CB 4.19Å; K567-F595 HydrophobicContact CD-CD1 3.27Å; K567-F595 HydrophobicContact CD-CE1 3.94Å; K567-F595 HydrophobicContact CD-CG 4.05Å; K567-F595 WeakPolarHBondContact CD-O 3.37Å; K567-F595 WeakPolarHBondContact CE-O 3.28Å; K567-F595 HydrophobicContact CG-CD1 4.45Å; K567-F595 PolarHBondContact NZ-O 3.1Å; K567-D596 HydrophobicContact CB-CB 3.97Å; K567-D596 HydrophobicContact CG-CB 3.97Å
568	E	98.1	Very high	97.4	Very high	54 Å²	54	38.7 Å²	38.7	25%	0.252	20%	0.201	S	C	.	.			trans	-48.8	143.1	178.9	-60.3	78	-168	0	0	113.1	D544 Y570 S594 F595	D544-E568 HydrophobicContact CB-CB 4.39Å; D544-E568 HydrophobicContact CB-CG 3.87Å; D544-E568 WeakPolarHBondContact OD1-CB 3.3Å; E568-Y570 HydrophobicContact CB-CD1 4.35Å; E568-Y570 HydrophobicContact CB-CE1 3.73Å; E568-S594 WeakPolarHBondContact O-CA 3.29Å; E568-S594 WeakPolarHBondContact O-CB 3.21Å; E568-S594 PolarHBondContact O-OG 2.93Å; E568-F595 HydrophobicContact CB-CB 4.24Å; E568-F595 PolarHBondContact O-N 2.83Å; E568-F595 WeakPolarHBondContact OE2-CD1 3.25Å
569	I	98.6	Very high	97	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.5	-178	-50.2	175.5	0	0	0	109.8	N528 C542 S543 L548 H565 A593	N528-I569 PolarHBondContact ND2-O 3.23Å; C542-I569 HydrophobicContact CB-CB 3.88Å; C542-I569 HydrophobicContact CB-CG2 3.54Å; C542-I569 PolarHBondContact SG-O 2.87Å; S543-I569 PolarHBondContact O-N 3.11Å; L548-I569 HydrophobicContact CD1-CD1 3.59Å; L548-I569 HydrophobicContact CG-CD1 3.96Å; H565-I569 HydrophobicContact CB-CD1 3.92Å; H565-I569 HydrophobicContact CB-CG1 3.89Å; I569-A593 VanDerWaalsContact CG2-O 3.27Å; I569-A593 WeakPolarHBondContact CG2-O 3.32Å
570	Y	94.3	Very high	96.5	Very high	18 Å²	18	41.3 Å²	41.3	7%	0.071	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-29.9	-169.4	-59.5	-35.2	0	0	0	114.4	S236 E568 A593 F595 P619 Y621	S236-Y570 WeakPolarHBondContact OG-CD1 3.23Å; E568-Y570 HydrophobicContact CB-CD1 4.35Å; E568-Y570 HydrophobicContact CB-CE1 3.73Å; Y570-A593 PolarHBondContact N-O 3.07Å; Y570-A593 VanDerWaalsContact N-O 3.07Å; Y570-F595 HydrophobicContact CE2-CB 3.81Å; Y570-F595 AromaticContact CE2-CD2 3.94Å; Y570-F595 HydrophobicContact CE2-CD2 3.94Å; Y570-F595 HydrophobicContact CE2-CG 4.29Å; Y570-F595 AromaticContact CZ-CD2 3.95Å; Y570-F595 WeakPolarHBondContact OH-CD2 3.46Å; Y570-F595 WeakPolarHBondContact OH-CG 3.38Å; Y570-P619 HydrophobicContact CE2-CB 4.41Å; Y570-Y621 AromaticContact CD2-CD1 3.63Å; Y570-Y621 HydrophobicContact CD2-CD1 3.63Å; Y570-Y621 AromaticContact CD2-CE1 3.52Å; Y570-Y621 HydrophobicContact CD2-CE1 3.52Å; Y570-Y621 HydrophobicContact CE2-CD1 4.02Å; Y570-Y621 AromaticContact CE2-CE1 3.4Å; Y570-Y621 HydrophobicContact CE2-CE1 3.4Å; Y570-Y621 AromaticContact CE2-CZ 3.93Å; Y570-Y621 HydrophobicContact CG-CD1 4.43Å; Y570-Y621 HydrophobicContact CG-CE1 4.47Å
571	T	98.1	Very high	96.2	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	150.3	-176.1	-161.2	0	0	0	0	113.8	S592 A593 Y621 V623	T571-S592 WeakPolarHBondContact O-CA 3.46Å; T571-A593 HydrophobicContact CG2-CB 3.87Å; T571-A593 PolarHBondContact O-N 2.88Å; T571-A593 VanDerWaalsContact O-N 3.1Å; T571-Y621 VanDerWaalsContact CG2-O 3.25Å; T571-Y621 WeakPolarHBondContact CG2-O 3.19Å; T571-V623 HydrophobicContact CG2-CG1 4.37Å; T571-V623 HydrophobicContact CG2-CG2 4.16Å
572	I	98.6	Very high	95.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.8	175.8	47.4	165.4	0	0	0	110.9	A529 A540 C542 L548 L590 A591	A529-I572 HydrophobicContact CB-CG1 4Å; A540-I572 VanDerWaalsContact C-CD1 3.47Å; A540-I572 HydrophobicContact CB-CD1 3.81Å; A540-I572 VanDerWaalsContact O-CD1 3.27Å; A540-I572 WeakPolarHBondContact O-CD1 3.33Å; C542-I572 HydrophobicContact CB-CG2 3.74Å; L548-I572 HydrophobicContact CD2-CG2 3.3Å; L548-I572 HydrophobicContact CG-CG2 4.48Å; I572-L590 HydrophobicContact CB-CD1 4.29Å; I572-A591 VanDerWaalsContact CA-O 3.27Å; I572-A591 WeakPolarHBondContact CA-O 3.3Å
573	K	98.7	Very high	95.7	Very high	49 Å²	49	45.2 Å²	45.2	21%	0.213	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.5	169.1	-54.3	-67.2	154.5	66.7	0	110.1	A591 V623 F625	K573-A591 PolarHBondContact N-O 3.49Å; K573-A591 VanDerWaalsContact N-O 3.11Å; K573-A591 PolarHBondContact O-N 2.76Å; K573-V623 HydrophobicContact CB-CG2 4.31Å; K573-V623 HydrophobicContact CG-CG2 3.81Å; K573-V623 WeakPolarHBondContact CG-O 3.46Å; K573-V623 PolarHBondContact NZ-O 2.81Å; K573-F625 HydrophobicContact CB-CD2 4.31Å; K573-F625 HydrophobicContact CB-CE2 4.49Å
574	W	98.4	Very high	95.4	Very high	23 Å²	23	39.8 Å²	39.8	9%	0.087	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	149.7	164.1	-62.6	95.8	0	0	0	110.6	K531 W532 D533 L538 A540 V550 L588 C589 L590 V604 F625	K531-W574 PolarHBondContact O-NE1 3.06Å; W532-W574 VanDerWaalsContact C-CD1 3.45Å; W532-W574 VanDerWaalsContact C-NE1 3.33Å; W532-W574 PolarHBondContact O-NE1 2.9Å; D533-W574 HydrophobicContact CB-CD2 3.88Å; D533-W574 HydrophobicContact CB-CE3 4.09Å; D533-W574 HydrophobicContact CB-CG 4.38Å; D533-W574 HydrophobicContact CB-CH2 4.11Å; D533-W574 HydrophobicContact CB-CZ2 3.92Å; D533-W574 HydrophobicContact CB-CZ3 4.19Å; L538-W574 HydrophobicContact CB-CH2 3.99Å; L538-W574 HydrophobicContact CB-CZ2 4.07Å; L538-W574 HydrophobicContact CD1-CH2 4.15Å; A540-W574 HydrophobicContact CB-CZ2 3.56Å; V550-W574 HydrophobicContact CG1-CH2 4.3Å; W574-L588 HydrophobicContact CE3-CD1 3.77Å; W574-L588 HydrophobicContact CE3-CD2 3.9Å; W574-L588 HydrophobicContact CE3-CG 3.77Å; W574-L588 HydrophobicContact CZ3-CD1 4.37Å; W574-L588 HydrophobicContact CZ3-CD2 3.65Å; W574-L588 HydrophobicContact CZ3-CG 3.88Å; W574-C589 CarbonylContact C-O 3.59Å; W574-C589 WeakPolarHBondContact CA-O 3.33Å; W574-L590 HydrophobicContact CD2-CD1 3.95Å; W574-L590 HydrophobicContact CE3-CB 4.29Å; W574-L590 HydrophobicContact CE3-CD1 4.3Å; W574-L590 HydrophobicContact CG-CD1 4.28Å; W574-L590 HydrophobicContact CZ2-CD1 4.49Å; W574-L590 HydrophobicContact CZ3-CB 4.42Å; W574-V604 HydrophobicContact CH2-CB 4.44Å; W574-V604 HydrophobicContact CH2-CG1 3.83Å; W574-V604 HydrophobicContact CH2-CG2 4.13Å; W574-V604 HydrophobicContact CZ3-CB 4Å; W574-V604 HydrophobicContact CZ3-CG1 3.83Å; W574-V604 HydrophobicContact CZ3-CG2 3.67Å; W574-F625 WeakPolarHBondContact O-CD2 3.4Å
575	S	98	Very high	95.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	29%	0.286	C	S	.	.			trans	-71.9	146.4	166.8	57	0	0	0	0	110.9	T577 C589	S575-T577 WeakPolarHBondContact CB-OG1 3.24Å; S575-T577 PolarHBondContact O-N 2.87Å; S575-T577 PolarHBondContact OG-OG1 2.7Å; S575-C589 PolarHBondContact N-O 2.77Å; S575-C589 PolarHBondContact OG-N 3.01Å; S575-C589 PolarHBondContact OG-O 3.39Å
576	P	95.9	Very high	95	Very high	43 Å²	43	47.7 Å²	47.7	28%	0.279	30%	0.297	S	S	.	.	S	Bend	trans	-77.8	48	177.4	33.7	-36.8	0	0	0	112	T581 S626 P627	P576-T581 WeakPolarHBondContact O-CB 3.46Å; P576-T581 PolarHBondContact O-OG1 3.33Å; P576-S626 VanDerWaalsContact CG-O 3.31Å; P576-S626 WeakPolarHBondContact CG-O 3.46Å; P576-P627 WeakPolarHBondContact CG-O 3.18Å
577	T	96.4	Very high	94.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.031	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-128.2	172.7	-172.3	58.4	0	0	0	0	111.5	S575 T581 F583 A586 P587	S575-T577 WeakPolarHBondContact CB-OG1 3.24Å; S575-T577 PolarHBondContact O-N 2.87Å; S575-T577 PolarHBondContact OG-OG1 2.7Å; T577-T581 VanDerWaalsContact C-OG1 3.22Å; T577-T581 WeakPolarHBondContact CA-OG1 3.25Å; T577-T581 WeakPolarHBondContact O-CG2 3.38Å; T577-F583 HydrophobicContact CG2-CB 4.08Å; T577-A586 HydrophobicContact CG2-CB 3.71Å; T577-P587 WeakPolarHBondContact CB-O 3.35Å; T577-P587 PolarHBondContact OG1-O 2.97Å
578	G	92.9	Very high	94.7	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	28%	0.276	C	S	.	.	S	Bend	trans	76.2	-179.8	-179.9	0	0	0	0	0	114.3	G580 T581 F583 A584 A586	G578-G580 PolarHBondContact O-N 2.88Å; G578-T581 PolarHBondContact N-OG1 2.8Å; G578-T581 WeakPolarHBondContact O-CB 3.29Å; G578-T581 WeakPolarHBondContact O-CG2 3.47Å; G578-T581 PolarHBondContact O-N 2.97Å; G578-T581 VanDerWaalsContact O-N 3.15Å; G578-T581 PolarHBondContact O-OG1 3.4Å; G578-F583 PolarHBondContact N-O 3.5Å; G578-A584 WeakPolarHBondContact O-CA 3.35Å; G578-A586 WeakPolarHBondContact CA-O 3.42Å; G578-A586 PolarHBondContact N-O 3.01Å
579	P	89.8	Confident	94.6	Very high	84 Å²	84	40.7 Å²	40.7	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	131.7	-169.3	-29.4	36.6	0	0	0	114.3
580	G	85.4	Confident	94.6	Very high	75 Å²	75	40.7 Å²	40.7	77%	0.773	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-10.4	-176.9	0	0	0	0	0	115.1	G578	G578-G580 PolarHBondContact O-N 2.88Å
581	T	91.8	Very high	94.8	Very high	29 Å²	29	39.8 Å²	39.8	18%	0.178	26%	0.261	C	S	.	.	S	Bend	trans	-97.4	170.8	178.7	71.1	0	0	0	0	113.3	P534 P576 T577 G578 F583 A584	P534-T581 HydrophobicContact CB-CG2 3.38Å; P534-T581 HydrophobicContact CG-CG2 3.84Å; P576-T581 WeakPolarHBondContact O-CB 3.46Å; P576-T581 PolarHBondContact O-OG1 3.33Å; T577-T581 VanDerWaalsContact C-OG1 3.22Å; T577-T581 WeakPolarHBondContact CA-OG1 3.25Å; T577-T581 WeakPolarHBondContact O-CG2 3.38Å; G578-T581 PolarHBondContact N-OG1 2.8Å; G578-T581 WeakPolarHBondContact O-CB 3.29Å; G578-T581 WeakPolarHBondContact O-CG2 3.47Å; G578-T581 PolarHBondContact O-N 2.97Å; G578-T581 VanDerWaalsContact O-N 3.15Å; G578-T581 PolarHBondContact O-OG1 3.4Å; T581-F583 PolarHBondContact O-N 3.48Å; T581-F583 PolarHBondContact OG1-N 3.12Å; T581-F583 VanDerWaalsContact OG1-N 3.15Å; T581-A584 PolarHBondContact OG1-N 2.87Å
582	A	91.3	Very high	94.8	Very high	95 Å²	95	39 Å²	39	79%	0.785	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.4	168.9	0	0	0	0	0	113.2
583	F	93.5	Very high	94.8	Very high	73 Å²	73	39 Å²	39	32%	0.32	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-116.7	47.4	-177.3	-59.8	-81.7	0	0	0	110.7	T577 G578 T581 N585 A586 P627 D628	T577-F583 HydrophobicContact CG2-CB 4.08Å; G578-F583 PolarHBondContact N-O 3.5Å; T581-F583 PolarHBondContact O-N 3.48Å; T581-F583 PolarHBondContact OG1-N 3.12Å; T581-F583 VanDerWaalsContact OG1-N 3.15Å; F583-N585 PolarHBondContact O-N 2.99Å; F583-A586 HydrophobicContact CB-CB 4.28Å; F583-A586 WeakPolarHBondContact O-CB 3.38Å; F583-A586 PolarHBondContact O-N 2.93Å; F583-P627 WeakPolarHBondContact CE2-O 3.38Å; F583-D628 HydrophobicContact CD1-CB 4.47Å; F583-D628 HydrophobicContact CE1-CB 3.85Å; F583-D628 HydrophobicContact CE2-CB 4.04Å; F583-D628 HydrophobicContact CZ-CB 3.62Å
584	A	91.8	Very high	94.8	Very high	47 Å²	47	36.7 Å²	36.7	39%	0.388	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.6	-171.1	0	0	0	0	0	116.1	G578 T581	G578-A584 WeakPolarHBondContact O-CA 3.35Å; T581-A584 PolarHBondContact OG1-N 2.87Å
585	N	93	Very high	94.8	Very high	170 Å²	170	39.1 Å²	39.1	91%	0.909	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.7	179.2	-61.1	-24	0	0	0	113.8	F583	F583-N585 PolarHBondContact O-N 2.99Å
586	A	93.8	Very high	94.8	Very high	35 Å²	35	39.9 Å²	39.9	29%	0.289	26%	0.261	S	S	.	.	S	Bend	trans	-86.3	142.6	172.1	0	0	0	0	0	109.4	T577 G578 F583	T577-A586 HydrophobicContact CG2-CB 3.71Å; G578-A586 WeakPolarHBondContact CA-O 3.42Å; G578-A586 PolarHBondContact N-O 3.01Å; F583-A586 HydrophobicContact CB-CB 4.28Å; F583-A586 WeakPolarHBondContact O-CB 3.38Å; F583-A586 PolarHBondContact O-N 2.93Å
587	P	93.5	Very high	94.9	Very high	68 Å²	68	39 Å²	39	44%	0.442	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-63	143.4	-176.9	26.7	-35	0	0	0	111.3	T577	T577-P587 WeakPolarHBondContact CB-O 3.35Å; T577-P587 PolarHBondContact OG1-O 2.97Å
588	L	95.9	Very high	95	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.084	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.4	131.7	171.2	-177.4	63.5	0	0	0	109.3	D533 P534 W574	D533-L588 HydrophobicContact CB-CD2 4.16Å; P534-L588 HydrophobicContact CG-CD1 4.32Å; W574-L588 HydrophobicContact CE3-CD1 3.77Å; W574-L588 HydrophobicContact CE3-CD2 3.9Å; W574-L588 HydrophobicContact CE3-CG 3.77Å; W574-L588 HydrophobicContact CZ3-CD1 4.37Å; W574-L588 HydrophobicContact CZ3-CD2 3.65Å; W574-L588 HydrophobicContact CZ3-CG 3.88Å
589	C	96.5	Very high	95.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.9	-177.9	-169.7	0	0	0	0	110	W574 S575 W602 F625	W574-C589 CarbonylContact C-O 3.59Å; W574-C589 WeakPolarHBondContact CA-O 3.33Å; S575-C589 PolarHBondContact N-O 2.77Å; S575-C589 PolarHBondContact OG-N 3.01Å; S575-C589 PolarHBondContact OG-O 3.39Å; C589-W602 WeakPolarHBondContact CA-O 3.44Å; C589-W602 PolarHBondContact SG-O 2.88Å; C589-F625 HydrophobicContact CB-CZ 4.4Å
590	L	98.6	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.1	170.8	-178.5	70.8	0	0	0	108.2	A540 L548 V550 L562 I572 W574 W602 V604	A540-L590 HydrophobicContact CB-CD1 3.67Å; A540-L590 HydrophobicContact CB-CD2 3.87Å; A540-L590 HydrophobicContact CB-CG 4.46Å; L548-L590 HydrophobicContact CD2-CD2 4.01Å; V550-L590 HydrophobicContact CG2-CD2 4.42Å; L562-L590 HydrophobicContact CD1-CD2 4.25Å; I572-L590 HydrophobicContact CB-CD1 4.29Å; W574-L590 HydrophobicContact CD2-CD1 3.95Å; W574-L590 HydrophobicContact CE3-CB 4.29Å; W574-L590 HydrophobicContact CE3-CD1 4.3Å; W574-L590 HydrophobicContact CG-CD1 4.28Å; W574-L590 HydrophobicContact CZ2-CD1 4.49Å; W574-L590 HydrophobicContact CZ3-CB 4.42Å; L590-W602 HydrophobicContact CB-CB 4.31Å; L590-W602 PolarHBondContact N-O 3Å; L590-W602 VanDerWaalsContact N-O 3.17Å; L590-W602 PolarHBondContact O-N 2.87Å; L590-V604 HydrophobicContact CB-CG2 3.77Å
591	A	98.8	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	142.8	169.1	0	0	0	0	0	110.1	I572 K573 R600 L601 V623 F625 L632	I572-A591 VanDerWaalsContact CA-O 3.27Å; I572-A591 WeakPolarHBondContact CA-O 3.3Å; K573-A591 PolarHBondContact N-O 3.49Å; K573-A591 VanDerWaalsContact N-O 3.11Å; K573-A591 PolarHBondContact O-N 2.76Å; A591-R600 WeakPolarHBondContact CA-O 3.43Å; A591-L601 HydrophobicContact CB-CD2 3.75Å; A591-V623 HydrophobicContact CB-CG2 3.98Å; A591-F625 HydrophobicContact CB-CE2 3.57Å; A591-F625 HydrophobicContact CB-CZ 3.76Å; A591-L632 HydrophobicContact CB-CD1 3.97Å; A591-L632 HydrophobicContact CB-CD2 4.39Å
592	S	98.8	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.1	175.5	67.9	0	0	0	0	112.2	H565 T571 V599 R600 W602	H565-S592 PolarHBondContact NE2-OG 2.88Å; T571-S592 WeakPolarHBondContact O-CA 3.46Å; S592-V599 CarbonylContact O-C 3.58Å; S592-V599 VanDerWaalsContact O-CA 3.25Å; S592-V599 WeakPolarHBondContact O-CA 3.45Å; S592-V599 VanDerWaalsContact O-CG1 3.32Å; S592-V599 WeakPolarHBondContact O-CG1 3.23Å; S592-R600 PolarHBondContact N-O 3.39Å; S592-R600 PolarHBondContact O-N 2.99Å; S592-W602 PolarHBondContact OG-NE1 2.84Å
593	A	98.6	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.6	-179.3	0	0	0	0	0	112.4	I569 Y570 T571 V599 V620 V623	I569-A593 VanDerWaalsContact CG2-O 3.27Å; I569-A593 WeakPolarHBondContact CG2-O 3.32Å; Y570-A593 PolarHBondContact N-O 3.07Å; Y570-A593 VanDerWaalsContact N-O 3.07Å; T571-A593 HydrophobicContact CG2-CB 3.87Å; T571-A593 PolarHBondContact O-N 2.88Å; T571-A593 VanDerWaalsContact O-N 3.1Å; A593-V599 HydrophobicContact CB-CG2 3.88Å; A593-V620 HydrophobicContact CB-CB 3.95Å; A593-V620 HydrophobicContact CB-CG1 3.77Å; A593-V620 WeakPolarHBondContact CB-O 3.3Å; A593-V623 HydrophobicContact CB-CG1 3.55Å
594	S	98.6	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.6	-159.8	172.5	0	0	0	0	113.9	H565 K567 E568 D596 S597 T598 V620	H565-S594 WeakPolarHBondContact ND1-CB 3.34Å; K567-S594 PolarHBondContact O-OG 2.87Å; E568-S594 WeakPolarHBondContact O-CA 3.29Å; E568-S594 WeakPolarHBondContact O-CB 3.21Å; E568-S594 PolarHBondContact O-OG 2.93Å; S594-D596 WeakPolarHBondContact CB-OD1 3.27Å; S594-D596 PolarHBondContact O-N 2.73Å; S594-D596 PolarHBondContact OG-N 2.74Å; S594-D596 PolarHBondContact OG-OD1 2.84Å; S594-S597 PolarHBondContact O-N 2.92Å; S594-T598 PolarHBondContact N-O 2.66Å; S594-V620 PolarHBondContact O-N 2.84Å
595	F	97.9	Very high	96.7	Very high	74 Å²	74	32.4 Å²	32.4	33%	0.325	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.5	164.9	-165.3	-121.4	0	0	0	113.4	K567 E568 Y570 S597 P619	K567-F595 HydrophobicContact CB-CB 4.03Å; K567-F595 HydrophobicContact CB-CD1 4.31Å; K567-F595 HydrophobicContact CD-CB 4.19Å; K567-F595 HydrophobicContact CD-CD1 3.27Å; K567-F595 HydrophobicContact CD-CE1 3.94Å; K567-F595 HydrophobicContact CD-CG 4.05Å; K567-F595 WeakPolarHBondContact CD-O 3.37Å; K567-F595 WeakPolarHBondContact CE-O 3.28Å; K567-F595 HydrophobicContact CG-CD1 4.45Å; K567-F595 PolarHBondContact NZ-O 3.1Å; E568-F595 HydrophobicContact CB-CB 4.24Å; E568-F595 PolarHBondContact O-N 2.83Å; E568-F595 WeakPolarHBondContact OE2-CD1 3.25Å; Y570-F595 HydrophobicContact CE2-CB 3.81Å; Y570-F595 AromaticContact CE2-CD2 3.94Å; Y570-F595 HydrophobicContact CE2-CD2 3.94Å; Y570-F595 HydrophobicContact CE2-CG 4.29Å; Y570-F595 AromaticContact CZ-CD2 3.95Å; Y570-F595 WeakPolarHBondContact OH-CD2 3.46Å; Y570-F595 WeakPolarHBondContact OH-CG 3.38Å; F595-S597 VanDerWaalsContact C-N 3.27Å; F595-S597 PolarHBondContact O-N 2.77Å; F595-P619 HydrophobicContact CD2-CB 3.72Å; F595-P619 HydrophobicContact CD2-CG 3.15Å; F595-P619 HydrophobicContact CE2-CB 4.34Å; F595-P619 HydrophobicContact CE2-CG 3.39Å; F595-P619 HydrophobicContact CG-CG 4.13Å
596	D	98.3	Very high	96.8	Very high	18 Å²	18	28.1 Å²	28.1	10%	0.096	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	8.4	171.7	78.4	8.4	0	0	0	115.4	H565 T566 K567 S594 T598	H565-D596 WeakPolarHBondContact CA-OD2 3.33Å; H565-D596 WeakPolarHBondContact CB-OD2 3.49Å; H565-D596 IonicContact CE1-OD1 2.86Å; H565-D596 IonicContact CG-OD2 3.33Å; H565-D596 IonicContact ND1-OD1 2.68Å; H565-D596 PolarHBondContact ND1-OD1 2.83Å; H565-D596 VanDerWaalsContact ND1-OD1 3.13Å; H565-D596 IonicContact ND1-OD2 3.35Å; H565-D596 PolarHBondContact ND1-OD2 2.76Å; H565-D596 VanDerWaalsContact ND1-OD2 3.09Å; T566-D596 PolarHBondContact N-OD2 3.04Å; T566-D596 VanDerWaalsContact OG1-CB 3.28Å; T566-D596 WeakPolarHBondContact OG1-CB 3.27Å; T566-D596 PolarHBondContact OG1-OD2 3.36Å; K567-D596 HydrophobicContact CB-CB 3.97Å; K567-D596 HydrophobicContact CG-CB 3.97Å; S594-D596 WeakPolarHBondContact CB-OD1 3.27Å; S594-D596 PolarHBondContact O-N 2.73Å; S594-D596 PolarHBondContact OG-N 2.74Å; S594-D596 PolarHBondContact OG-OD1 2.84Å; D596-T598 PolarHBondContact O-N 3.25Å; D596-T598 VanDerWaalsContact O-N 3.14Å; D596-T598 WeakPolarHBondContact OD1-CA 3.33Å; D596-T598 VanDerWaalsContact OD1-CB 3.31Å; D596-T598 WeakPolarHBondContact OD1-CB 3.23Å; D596-T598 PolarHBondContact OD1-N 2.9Å; D596-T598 PolarHBondContact OD1-OG1 3.34Å; D596-T598 PolarHBondContact OD2-OG1 2.69Å
597	S	98.4	Very high	96.9	Very high	26 Å²	26	27 Å²	27	18%	0.182	15%	0.146	C	C	.	.	S	Bend	trans	61.7	5.1	-176.2	88.6	0	0	0	0	116.2	S594 F595 H616 E618	S594-S597 PolarHBondContact O-N 2.92Å; F595-S597 VanDerWaalsContact C-N 3.27Å; F595-S597 PolarHBondContact O-N 2.77Å; S597-H616 WeakPolarHBondContact CB-O 3.39Å; S597-H616 WeakPolarHBondContact O-CB 3.32Å; S597-H616 PolarHBondContact OG-O 3.04Å; S597-E618 WeakPolarHBondContact CA-O 3.11Å; S597-E618 WeakPolarHBondContact CB-O 3.48Å
598	T	98.7	Very high	97.1	Very high	22 Å²	22	29.6 Å²	29.6	14%	0.135	15%	0.152	C	C	.	.			trans	-98.3	154.1	176.2	76.5	0	0	0	0	112.7	H565 S594 D596 I612	H565-T598 PolarHBondContact CE1-O 2.7Å; H565-T598 PolarHBondContact CE1-OG1 2.91Å; H565-T598 VanDerWaalsContact CE1-OG1 3.23Å; H565-T598 PolarHBondContact ND1-OG1 3.02Å; S594-T598 PolarHBondContact N-O 2.66Å; D596-T598 PolarHBondContact O-N 3.25Å; D596-T598 VanDerWaalsContact O-N 3.14Å; D596-T598 WeakPolarHBondContact OD1-CA 3.33Å; D596-T598 VanDerWaalsContact OD1-CB 3.31Å; D596-T598 WeakPolarHBondContact OD1-CB 3.23Å; D596-T598 PolarHBondContact OD1-N 2.9Å; D596-T598 PolarHBondContact OD1-OG1 3.34Å; D596-T598 PolarHBondContact OD2-OG1 2.69Å; T598-I612 HydrophobicContact CG2-CG2 4.47Å
599	V	98.9	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.8	165.3	-179.8	0	0	0	0	108.8	S592 A593 L613 V620 V623 L632 T634	S592-V599 CarbonylContact O-C 3.58Å; S592-V599 VanDerWaalsContact O-CA 3.25Å; S592-V599 WeakPolarHBondContact O-CA 3.45Å; S592-V599 VanDerWaalsContact O-CG1 3.32Å; S592-V599 WeakPolarHBondContact O-CG1 3.23Å; A593-V599 HydrophobicContact CB-CG2 3.88Å; V599-L613 HydrophobicContact CB-CB 4.16Å; V599-L613 HydrophobicContact CB-CD1 4.26Å; V599-L613 HydrophobicContact CG1-CD1 4.16Å; V599-L613 PolarHBondContact N-O 3.13Å; V599-L613 WeakPolarHBondContact O-CB 3.4Å; V599-L613 PolarHBondContact O-N 3.46Å; V599-V620 HydrophobicContact CG2-CB 4.13Å; V599-V620 HydrophobicContact CG2-CG1 3.64Å; V599-V620 HydrophobicContact CG2-CG2 4.12Å; V599-V623 HydrophobicContact CG1-CG1 3.97Å; V599-V623 HydrophobicContact CG2-CG1 4.16Å; V599-L632 HydrophobicContact CG1-CD2 3.83Å; V599-T634 HydrophobicContact CB-CG2 4.35Å; V599-T634 HydrophobicContact CG1-CG2 4.12Å; V599-T634 HydrophobicContact CG2-CG2 3.86Å
600	R	98.7	Very high	97.2	Very high	38 Å²	38	34.2 Å²	34.2	14%	0.143	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142	178.8	-67.4	177.7	171.5	-99.5	0.5	110.6	G564 A591 S592 W602 C609 R611 I612	G564-R600 PolarHBondContact O-NE 3.25Å; G564-R600 PolarHBondContact O-NH2 2.89Å; A591-R600 WeakPolarHBondContact CA-O 3.43Å; S592-R600 PolarHBondContact N-O 3.39Å; S592-R600 PolarHBondContact O-N 2.99Å; R600-W602 HydrophobicContact CB-CZ2 3.88Å; R600-W602 VanDerWaalsContact CD-CZ2 3.45Å; R600-W602 HydrophobicContact CG-CZ2 4.31Å; R600-C609 PolarHBondContact NH1-SG 3.45Å; R600-C609 VanDerWaalsContact NH1-SG 3.45Å; R600-R611 WeakPolarHBondContact CA-O 3.33Å; R600-I612 HydrophobicContact CG-CG1 4.37Å; R600-I612 HydrophobicContact CG-CG2 4.45Å
601	L	98.6	Very high	97.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.6	172.5	-67.8	175.6	0	0	0	108.7	A591 C609 R610 R611 L613 F625 L632 V646	A591-L601 HydrophobicContact CB-CD2 3.75Å; L601-C609 CarbonylContact O-C 3.44Å; L601-R610 PolarHBondContact O-N 2.9Å; L601-R611 HydrophobicContact CB-CB 4.11Å; L601-R611 HydrophobicContact CD1-CB 4.11Å; L601-R611 HydrophobicContact CD1-CG 4.23Å; L601-R611 HydrophobicContact CG-CB 4.43Å; L601-R611 PolarHBondContact N-O 3.41Å; L601-R611 PolarHBondContact O-N 3Å; L601-L613 HydrophobicContact CD1-CD1 4.32Å; L601-L613 HydrophobicContact CG-CD1 4.44Å; L601-F625 HydrophobicContact CD2-CE1 4.3Å; L601-F625 HydrophobicContact CD2-CZ 3.94Å; L601-L632 HydrophobicContact CD2-CD2 4.19Å; L601-V646 HydrophobicContact CD1-CB 4.45Å; L601-V646 HydrophobicContact CD1-CG1 4.12Å
602	W	98.4	Very high	97.1	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.4	-174.2	-51.9	90.5	0	0	0	111.1	L548 L562 R563 C589 L590 S592 R600 Q608 C609	L548-W602 HydrophobicContact CD1-CZ2 3.86Å; L562-W602 HydrophobicContact CB-CD2 4.32Å; L562-W602 HydrophobicContact CB-CE3 4.05Å; L562-W602 HydrophobicContact CB-CH2 4.15Å; L562-W602 HydrophobicContact CB-CZ2 4.4Å; L562-W602 HydrophobicContact CB-CZ3 3.95Å; L562-W602 HydrophobicContact CD1-CB 4.21Å; L562-W602 HydrophobicContact CD1-CD2 4.03Å; L562-W602 HydrophobicContact CD1-CE3 4.19Å; L562-W602 HydrophobicContact CD1-CG 4.04Å; L562-W602 HydrophobicContact CD2-CE3 4.14Å; L562-W602 HydrophobicContact CD2-CZ3 4.49Å; L562-W602 HydrophobicContact CG-CE3 4.36Å; R563-W602 WeakPolarHBondContact O-CH2 3.25Å; C589-W602 WeakPolarHBondContact CA-O 3.44Å; C589-W602 PolarHBondContact SG-O 2.88Å; L590-W602 HydrophobicContact CB-CB 4.31Å; L590-W602 PolarHBondContact N-O 3Å; L590-W602 VanDerWaalsContact N-O 3.17Å; L590-W602 PolarHBondContact O-N 2.87Å; S592-W602 PolarHBondContact OG-NE1 2.84Å; R600-W602 HydrophobicContact CB-CZ2 3.88Å; R600-W602 VanDerWaalsContact CD-CZ2 3.45Å; R600-W602 HydrophobicContact CG-CZ2 4.31Å; W602-Q608 CarbonylContact C-O 3.57Å; W602-Q608 WeakPolarHBondContact CA-O 3.04Å; W602-C609 HydrophobicContact CD2-CB 4.48Å; W602-C609 HydrophobicContact CE3-CB 3.77Å; W602-C609 HydrophobicContact CH2-CB 4.25Å; W602-C609 HydrophobicContact CZ3-CB 3.64Å
603	D	95.9	Very high	97.1	Very high	31 Å²	31	43.5 Å²	43.5	17%	0.166	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.4	161.7	-172.1	-78.9	0	0	0	108.2	E605 T606 G607 Q608 R610	D603-E605 PolarHBondContact OD1-N 2.82Å; D603-T606 WeakPolarHBondContact CB-OG1 3.27Å; D603-T606 WeakPolarHBondContact OD1-CB 3.28Å; D603-T606 WeakPolarHBondContact OD1-CG2 3.45Å; D603-T606 PolarHBondContact OD1-N 2.72Å; D603-T606 PolarHBondContact OD1-OG1 2.77Å; D603-G607 CarbonylContact O-C 3.59Å; D603-G607 VanDerWaalsContact O-CA 3.25Å; D603-G607 WeakPolarHBondContact O-CA 3.4Å; D603-G607 PolarHBondContact O-N 2.68Å; D603-Q608 PolarHBondContact N-O 2.86Å; D603-Q608 PolarHBondContact O-N 3.03Å; D603-Q608 VanDerWaalsContact O-N 3.14Å; D603-R610 HydrophobicContact CB-CG 3.71Å
604	V	89.9	Confident	97.1	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.048	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-14	-173.4	172.5	0	0	0	0	112.8	L538 V550 H560 W574 L590	L538-V604 HydrophobicContact CD1-CG1 3.87Å; V550-V604 HydrophobicContact CG1-CG1 4.18Å; H560-V604 PolarHBondContact NE2-O 3.35Å; H560-V604 VanDerWaalsContact NE2-O 3.13Å; W574-V604 HydrophobicContact CH2-CB 4.44Å; W574-V604 HydrophobicContact CH2-CG1 3.83Å; W574-V604 HydrophobicContact CH2-CG2 4.13Å; W574-V604 HydrophobicContact CZ3-CB 4Å; W574-V604 HydrophobicContact CZ3-CG1 3.83Å; W574-V604 HydrophobicContact CZ3-CG2 3.67Å; L590-V604 HydrophobicContact CB-CG2 3.77Å
605	E	91.9	Very high	97	Very high	164 Å²	164	55.4 Å²	55.4	77%	0.766	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-27.4	173.1	-60.7	-169	165.9	0	0	111.7	D603	D603-E605 PolarHBondContact OD1-N 2.82Å
606	T	95.3	Very high	97	Very high	80 Å²	80	52.1 Å²	52.1	49%	0.491	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-10.8	179.5	61.9	0	0	0	0	114.4	D603 Q608	D603-T606 WeakPolarHBondContact CB-OG1 3.27Å; D603-T606 WeakPolarHBondContact OD1-CB 3.28Å; D603-T606 WeakPolarHBondContact OD1-CG2 3.45Å; D603-T606 PolarHBondContact OD1-N 2.72Å; D603-T606 PolarHBondContact OD1-OG1 2.77Å; T606-Q608 VanDerWaalsContact C-N 3.25Å; T606-Q608 PolarHBondContact O-N 3.33Å; T606-Q608 PolarHBondContact O-NE2 3.23Å
607	G	95.4	Very high	97	Very high	13 Å²	13	56.4 Å²	56.4	13%	0.134	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	21.9	-174.1	0	0	0	0	0	114.3	L562 D603	L562-G607 VanDerWaalsContact CD2-O 3.28Å; L562-G607 WeakPolarHBondContact CD2-O 3.32Å; D603-G607 CarbonylContact O-C 3.59Å; D603-G607 VanDerWaalsContact O-CA 3.25Å; D603-G607 WeakPolarHBondContact O-CA 3.4Å; D603-G607 PolarHBondContact O-N 2.68Å
608	Q	97	Very high	97	Very high	122 Å²	122	59.5 Å²	59.5	57%	0.57	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	146.8	-172.3	-61.5	-53.8	-52.1	0	0	113.2	W602 D603 T606 R610	W602-Q608 CarbonylContact C-O 3.57Å; W602-Q608 WeakPolarHBondContact CA-O 3.04Å; D603-Q608 PolarHBondContact N-O 2.86Å; D603-Q608 PolarHBondContact O-N 3.03Å; D603-Q608 VanDerWaalsContact O-N 3.14Å; T606-Q608 VanDerWaalsContact C-N 3.25Å; T606-Q608 PolarHBondContact O-N 3.33Å; T606-Q608 PolarHBondContact O-NE2 3.23Å; Q608-R610 PolarHBondContact O-N 2.78Å
609	C	97.7	Very high	97	Very high	43 Å²	43	58.9 Å²	58.9	29%	0.291	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	106.9	172.3	-164.3	0	0	0	0	110	R600 L601 W602 R611	R600-C609 PolarHBondContact NH1-SG 3.45Å; R600-C609 VanDerWaalsContact NH1-SG 3.45Å; L601-C609 CarbonylContact O-C 3.44Å; W602-C609 HydrophobicContact CD2-CB 4.48Å; W602-C609 HydrophobicContact CE3-CB 3.77Å; W602-C609 HydrophobicContact CH2-CB 4.25Å; W602-C609 HydrophobicContact CZ3-CB 3.64Å; C609-R611 PolarHBondContact SG-O 3.04Å; C609-R611 VanDerWaalsContact SG-O 3.41Å
610	R	97.1	Very high	97	Very high	71 Å²	71	58.9 Å²	58.9	27%	0.268	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-40.7	177.8	-68.5	-178.9	64	-164.3	-4.2	112.4	L601 D603 Q608 D647	L601-R610 PolarHBondContact O-N 2.9Å; D603-R610 HydrophobicContact CB-CG 3.71Å; Q608-R610 PolarHBondContact O-N 2.78Å; R610-D647 IonicContact CZ-OD1 3.77Å; R610-D647 IonicContact NH1-OD1 3.88Å; R610-D647 IonicContact NH2-OD1 2.76Å; R610-D647 PolarHBondContact NH2-OD1 2.87Å
611	R	97.8	Very high	96.9	Very high	103 Å²	103	60 Å²	60	39%	0.389	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	147	-177.4	-57.7	-67.1	174.4	-167	-1.9	111.1	R600 L601 C609 L613 D647 S648	R600-R611 WeakPolarHBondContact CA-O 3.33Å; L601-R611 HydrophobicContact CB-CB 4.11Å; L601-R611 HydrophobicContact CD1-CB 4.11Å; L601-R611 HydrophobicContact CD1-CG 4.23Å; L601-R611 HydrophobicContact CG-CB 4.43Å; L601-R611 PolarHBondContact N-O 3.41Å; L601-R611 PolarHBondContact O-N 3Å; C609-R611 PolarHBondContact SG-O 3.04Å; C609-R611 VanDerWaalsContact SG-O 3.41Å; R611-L613 HydrophobicContact CB-CD2 4.11Å; R611-D647 VanDerWaalsContact CZ-O 3.28Å; R611-D647 PolarHBondContact NE-O 2.97Å; R611-D647 PolarHBondContact NH2-O 2.89Å; R611-S648 VanDerWaalsContact NE-C 3.3Å; R611-S648 PolarHBondContact NE-O 3.22Å; R611-S648 PolarHBondContact NH1-O 3.29Å
612	I	98.2	Very high	96.9	Very high	91 Å²	91	60.1 Å²	60.1	47%	0.467	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.7	164.8	-52.3	172.7	0	0	0	106.2	T598 R600	T598-I612 HydrophobicContact CG2-CG2 4.47Å; R600-I612 HydrophobicContact CG-CG1 4.37Å; R600-I612 HydrophobicContact CG-CG2 4.45Å
613	L	98.4	Very high	96.9	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	104	-176.7	-47.3	176.5	0	0	0	107.2	V599 L601 R611 L632 W644	V599-L613 HydrophobicContact CB-CB 4.16Å; V599-L613 HydrophobicContact CB-CD1 4.26Å; V599-L613 HydrophobicContact CG1-CD1 4.16Å; V599-L613 PolarHBondContact N-O 3.13Å; V599-L613 WeakPolarHBondContact O-CB 3.4Å; V599-L613 PolarHBondContact O-N 3.46Å; L601-L613 HydrophobicContact CD1-CD1 4.32Å; L601-L613 HydrophobicContact CG-CD1 4.44Å; R611-L613 HydrophobicContact CB-CD2 4.11Å; L613-L632 HydrophobicContact CD1-CD2 4.06Å; L613-W644 HydrophobicContact CB-CD2 4.25Å; L613-W644 HydrophobicContact CB-CE3 4.24Å; L613-W644 HydrophobicContact CB-CH2 3.74Å; L613-W644 HydrophobicContact CB-CZ2 3.82Å; L613-W644 HydrophobicContact CB-CZ3 3.99Å; L613-W644 HydrophobicContact CD1-CB 4.26Å; L613-W644 HydrophobicContact CD1-CD2 3.89Å; L613-W644 HydrophobicContact CD1-CE3 4.34Å; L613-W644 HydrophobicContact CD1-CG 3.86Å; L613-W644 HydrophobicContact CD2-CD2 4.25Å; L613-W644 HydrophobicContact CD2-CE3 3.84Å; L613-W644 HydrophobicContact CD2-CZ3 4.08Å; L613-W644 HydrophobicContact CG-CD2 4.36Å; L613-W644 HydrophobicContact CG-CE3 4.36Å
614	S	97.2	Very high	97	Very high	87 Å²	87	59 Å²	59	61%	0.608	30%	0.296	S	S	*	.			trans	-125.3	51.6	-167.8	57.8	0	0	0	0	112
615	R	97.3	Very high	97.4	Very high	162 Å²	162	59.6 Å²	59.6	61%	0.611	30%	0.298	S	S	*	.			trans	-97.7	-27.4	173	-74.3	-72.7	-176.1	-170.5	-0.6	113.4	W644 L651	R615-W644 HydrophobicContact CB-CH2 3.56Å; R615-W644 HydrophobicContact CB-CZ2 4.01Å; R615-W644 HydrophobicContact CG-CH2 3.43Å; R615-W644 VanDerWaalsContact CG-CH2 3.43Å; R615-W644 HydrophobicContact CG-CZ2 4.34Å; R615-W644 HydrophobicContact CG-CZ3 4.04Å; R615-L651 HydrophobicContact CG-CD2 4.32Å
616	H	98.2	Very high	97.7	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.028	26%	0.262	C	S	.	.			trans	-69.9	145.6	176.6	-72.4	-64.1	0	0	0	111	S597 V620 T634 S636 D638 C640 H642	S597-H616 WeakPolarHBondContact CB-O 3.39Å; S597-H616 WeakPolarHBondContact O-CB 3.32Å; S597-H616 PolarHBondContact OG-O 3.04Å; H616-V620 HydrophobicContact CB-CG2 3.77Å; H616-T634 PolarHBondContact NE2-OG1 2.91Å; H616-S636 WeakPolarHBondContact ND1-CB 3.28Å; H616-D638 WeakPolarHBondContact CA-OD2 3.42Å; H616-D638 VanDerWaalsContact CB-OD2 3.3Å; H616-D638 WeakPolarHBondContact CB-OD2 3.29Å; H616-D638 IonicContact CE1-OD1 3.47Å; H616-D638 IonicContact CG-OD2 2.77Å; H616-D638 IonicContact ND1-OD1 3.23Å; H616-D638 PolarHBondContact ND1-OD1 2.6Å; H616-D638 VanDerWaalsContact ND1-OD1 3.14Å; H616-D638 IonicContact ND1-OD2 2.72Å; H616-D638 PolarHBondContact ND1-OD2 2.99Å; H616-C640 PolarHBondContact CE1-O 2.85Å; H616-H642 AromaticContact CD2-CD2 3.96Å; H616-H642 AromaticContact CE1-CD2 3.52Å; H616-H642 AromaticContact CE1-CG 3.74Å; H616-H642 AromaticContact ND1-CD2 3.81Å; H616-H642 AromaticContact ND1-NE2 3.98Å; H616-H642 AromaticContact NE2-CD2 3.6Å; H616-H642 AromaticContact NE2-CG 3.83Å
617	T	98.2	Very high	97.7	Very high	108 Å²	108	50.4 Å²	50.4	66%	0.663	25%	0.254	S	S	*	.	S	Bend	trans	-106	-11.4	-178.1	53.7	0	0	0	0	113.6	D638	T617-D638 PolarHBondContact N-OD2 2.96Å; T617-D638 WeakPolarHBondContact OG1-CB 3.34Å
618	E	98.3	Very high	97.8	Very high	90 Å²	90	51.7 Å²	51.7	42%	0.421	26%	0.258	S	S	.	.	S	Bend	trans	-132.8	167.7	-178	-69.5	-63.4	164.3	0	0	110	S597 V620 S636 F637 D638	S597-E618 WeakPolarHBondContact CA-O 3.11Å; S597-E618 WeakPolarHBondContact CB-O 3.48Å; E618-V620 PolarHBondContact O-N 2.87Å; E618-S636 PolarHBondContact O-OG 3.45Å; E618-F637 HydrophobicContact CB-CB 4.19Å; E618-D638 HydrophobicContact CB-CB 3.93Å; E618-D638 HydrophobicContact CG-CB 4.01Å
619	P	98	Very high	97.8	Very high	10 Å²	10	46.3 Å²	46.3	7%	0.065	23%	0.234	C	C	.	.			trans	-48.1	138.6	-178.8	-32.3	38.9	0	0	0	114.5	Y570 F595 Y621 S636 F637	Y570-P619 HydrophobicContact CE2-CB 4.41Å; F595-P619 HydrophobicContact CD2-CB 3.72Å; F595-P619 HydrophobicContact CD2-CG 3.15Å; F595-P619 HydrophobicContact CE2-CB 4.34Å; F595-P619 HydrophobicContact CE2-CG 3.39Å; F595-P619 HydrophobicContact CG-CG 4.13Å; P619-Y621 HydrophobicContact CB-CD2 4.4Å; P619-Y621 HydrophobicContact CB-CE2 3.7Å; P619-S636 VanDerWaalsContact O-CA 3.26Å; P619-S636 WeakPolarHBondContact O-CA 3.49Å; P619-S636 WeakPolarHBondContact O-CB 3.41Å; P619-S636 PolarHBondContact O-OG 3.42Å; P619-F637 PolarHBondContact O-N 2.81Å; P619-F637 VanDerWaalsContact O-N 3.14Å
620	V	98.5	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	104.7	-179.7	-174.7	0	0	0	0	109	A593 S594 V599 H616 E618 V623 G635	A593-V620 HydrophobicContact CB-CB 3.95Å; A593-V620 HydrophobicContact CB-CG1 3.77Å; A593-V620 WeakPolarHBondContact CB-O 3.3Å; S594-V620 PolarHBondContact O-N 2.84Å; V599-V620 HydrophobicContact CG2-CB 4.13Å; V599-V620 HydrophobicContact CG2-CG1 3.64Å; V599-V620 HydrophobicContact CG2-CG2 4.12Å; H616-V620 HydrophobicContact CB-CG2 3.77Å; E618-V620 PolarHBondContact O-N 2.87Å; V620-V623 HydrophobicContact CG1-CG1 4.39Å; V620-G635 VanDerWaalsContact CG1-O 3.31Å; V620-G635 WeakPolarHBondContact CG1-O 3.48Å
621	Y	97.2	Very high	97.8	Very high	61 Å²	61	50 Å²	50	24%	0.239	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-28.6	-173.9	-71.4	-78.6	0	0	0	113.8	Y570 T571 P619 G635 F637	Y570-Y621 AromaticContact CD2-CD1 3.63Å; Y570-Y621 HydrophobicContact CD2-CD1 3.63Å; Y570-Y621 AromaticContact CD2-CE1 3.52Å; Y570-Y621 HydrophobicContact CD2-CE1 3.52Å; Y570-Y621 HydrophobicContact CE2-CD1 4.02Å; Y570-Y621 AromaticContact CE2-CE1 3.4Å; Y570-Y621 HydrophobicContact CE2-CE1 3.4Å; Y570-Y621 AromaticContact CE2-CZ 3.93Å; Y570-Y621 HydrophobicContact CG-CD1 4.43Å; Y570-Y621 HydrophobicContact CG-CE1 4.47Å; T571-Y621 VanDerWaalsContact CG2-O 3.25Å; T571-Y621 WeakPolarHBondContact CG2-O 3.19Å; P619-Y621 HydrophobicContact CB-CD2 4.4Å; P619-Y621 HydrophobicContact CB-CE2 3.7Å; Y621-G635 PolarHBondContact N-O 2.95Å; Y621-F637 AromaticContact CD2-CD2 3.49Å; Y621-F637 HydrophobicContact CD2-CD2 3.49Å; Y621-F637 VanDerWaalsContact CD2-CD2 3.49Å; Y621-F637 AromaticContact CD2-CE2 3.87Å; Y621-F637 HydrophobicContact CD2-CE2 3.87Å; Y621-F637 HydrophobicContact CD2-CG 4.25Å; Y621-F637 HydrophobicContact CE2-CB 4.24Å; Y621-F637 HydrophobicContact CE2-CD1 4.44Å; Y621-F637 AromaticContact CE2-CD2 3.43Å; Y621-F637 HydrophobicContact CE2-CD2 3.43Å; Y621-F637 VanDerWaalsContact CE2-CD2 3.43Å; Y621-F637 AromaticContact CE2-CE2 3.85Å; Y621-F637 HydrophobicContact CE2-CE2 3.85Å; Y621-F637 AromaticContact CE2-CG 3.77Å; Y621-F637 HydrophobicContact CE2-CG 3.77Å
622	S	98.3	Very high	97.8	Very high	4 Å²	4	45 Å²	45	3%	0.028	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.1	-177.6	-171.1	0	0	0	0	114.1	T634 G635 F662 V664	S622-T634 WeakPolarHBondContact O-CA 3.39Å; S622-G635 PolarHBondContact O-N 3.04Å; S622-F662 WeakPolarHBondContact CB-O 3.32Å; S622-V664 PolarHBondContact OG-N 3.14Å
623	V	98.8	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.2	169.5	-51.7	0	0	0	0	109.5	T571 K573 A591 A593 V599 V620 L632 A633 T634	T571-V623 HydrophobicContact CG2-CG1 4.37Å; T571-V623 HydrophobicContact CG2-CG2 4.16Å; K573-V623 HydrophobicContact CB-CG2 4.31Å; K573-V623 HydrophobicContact CG-CG2 3.81Å; K573-V623 WeakPolarHBondContact CG-O 3.46Å; K573-V623 PolarHBondContact NZ-O 2.81Å; A591-V623 HydrophobicContact CB-CG2 3.98Å; A593-V623 HydrophobicContact CB-CG1 3.55Å; V599-V623 HydrophobicContact CG1-CG1 3.97Å; V599-V623 HydrophobicContact CG2-CG1 4.16Å; V620-V623 HydrophobicContact CG1-CG1 4.39Å; V623-L632 HydrophobicContact CB-CD1 4.34Å; V623-A633 CarbonylContact C-O 3.58Å; V623-A633 VanDerWaalsContact CA-O 3.29Å; V623-A633 WeakPolarHBondContact CA-O 3.45Å; V623-T634 HydrophobicContact CB-CG2 4.45Å; V623-T634 HydrophobicContact CG1-CG2 3.93Å
624	A	98.8	Very high	97.9	Very high	14 Å²	14	40.6 Å²	40.6	12%	0.116	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	133.5	173	0	0	0	0	0	111.3	A633 V664 W666	A624-A633 PolarHBondContact N-O 3.39Å; A624-A633 PolarHBondContact O-N 2.83Å; A624-V664 HydrophobicContact CB-CG2 4.49Å; A624-V664 WeakPolarHBondContact CB-O 3.37Å; A624-W666 PolarHBondContact O-NE1 3.03Å
625	F	98.6	Very high	97.9	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.088	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	149.1	171.9	-74.7	-85.9	0	0	0	111.3	K573 W574 C589 A591 L601 L631 L632 V646 W666	K573-F625 HydrophobicContact CB-CD2 4.31Å; K573-F625 HydrophobicContact CB-CE2 4.49Å; W574-F625 WeakPolarHBondContact O-CD2 3.4Å; C589-F625 HydrophobicContact CB-CZ 4.4Å; A591-F625 HydrophobicContact CB-CE2 3.57Å; A591-F625 HydrophobicContact CB-CZ 3.76Å; L601-F625 HydrophobicContact CD2-CE1 4.3Å; L601-F625 HydrophobicContact CD2-CZ 3.94Å; F625-L631 CarbonylContact C-O 3.59Å; F625-L631 WeakPolarHBondContact CA-O 3.4Å; F625-L632 HydrophobicContact CD1-CD1 3.84Å; F625-L632 HydrophobicContact CD2-CD1 3.86Å; F625-L632 HydrophobicContact CE1-CD1 3.91Å; F625-L632 HydrophobicContact CE2-CD1 3.93Å; F625-L632 HydrophobicContact CG-CD1 3.82Å; F625-L632 HydrophobicContact CZ-CD1 3.96Å; F625-V646 HydrophobicContact CD1-CG2 3.86Å; F625-V646 HydrophobicContact CE1-CG1 4.06Å; F625-V646 HydrophobicContact CE1-CG2 3.65Å; F625-W666 VanDerWaalsContact C-CD1 3.47Å
626	S	98.3	Very high	98	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.146	C	C	.	.			trans	-61.2	156.1	163.5	56.8	0	0	0	0	110.6	P576 D628 G629 R630 L631	P576-S626 VanDerWaalsContact CG-O 3.31Å; P576-S626 WeakPolarHBondContact CG-O 3.46Å; S626-D628 WeakPolarHBondContact CB-OD1 3.28Å; S626-D628 PolarHBondContact O-N 3.34Å; S626-D628 PolarHBondContact OG-OD1 3.24Å; S626-G629 PolarHBondContact O-N 2.82Å; S626-R630 PolarHBondContact OG-N 2.87Å; S626-L631 PolarHBondContact N-O 2.75Å; S626-L631 PolarHBondContact OG-N 3.3Å; S626-L631 PolarHBondContact OG-O 2.85Å
627	P	95.6	Very high	98	Very high	49 Å²	49	31.9 Å²	31.9	32%	0.318	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.8	178	-27.6	36.1	0	0	0	115.3	P576 F583 N667	P576-P627 WeakPolarHBondContact CG-O 3.18Å; F583-P627 WeakPolarHBondContact CE2-O 3.38Å; P627-N667 WeakPolarHBondContact CG-O 3.29Å
628	D	95.6	Very high	98	Very high	41 Å²	41	27.6 Å²	27.6	22%	0.219	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	1.6	174.6	78.8	-23.2	0	0	0	114.6	F583 S626 R630	F583-D628 HydrophobicContact CD1-CB 4.47Å; F583-D628 HydrophobicContact CE1-CB 3.85Å; F583-D628 HydrophobicContact CE2-CB 4.04Å; F583-D628 HydrophobicContact CZ-CB 3.62Å; S626-D628 WeakPolarHBondContact CB-OD1 3.28Å; S626-D628 PolarHBondContact O-N 3.34Å; S626-D628 PolarHBondContact OG-OD1 3.24Å; D628-R630 PolarHBondContact O-N 2.93Å; D628-R630 VanDerWaalsContact O-N 3.14Å; D628-R630 PolarHBondContact OD1-N 2.77Å; D628-R630 VanDerWaalsContact OD1-N 3.17Å; D628-R630 WeakPolarHBondContact OD2-CD 3.15Å; D628-R630 VanDerWaalsContact OD2-CG 3.28Å; D628-R630 WeakPolarHBondContact OD2-CG 3.44Å; D628-R630 IonicContact OD2-CZ 3.92Å; D628-R630 IonicContact OD2-NE 3.52Å; D628-R630 IonicContact OD2-NH1 2.8Å; D628-R630 PolarHBondContact OD2-NH1 3.41Å
629	G	97	Very high	97.9	Very high	8 Å²	8	26.9 Å²	26.9	8%	0.082	13%	0.13	C	C	.	.	S	Bend	trans	67.6	3.6	179.8	0	0	0	0	0	115.9	S626 V646	S626-G629 PolarHBondContact O-N 2.82Å; G629-V646 WeakPolarHBondContact O-CG2 3.32Å
630	R	97.2	Very high	98	Very high	145 Å²	145	27.1 Å²	27.1	55%	0.547	13%	0.131	S	C	.	.	S	Bend	trans	-85.3	-23.4	-176	-64.6	-169.1	-175.6	115.1	-8.3	114.3	S626 D628 N645 V646	S626-R630 PolarHBondContact OG-N 2.87Å; D628-R630 PolarHBondContact O-N 2.93Å; D628-R630 VanDerWaalsContact O-N 3.14Å; D628-R630 PolarHBondContact OD1-N 2.77Å; D628-R630 VanDerWaalsContact OD1-N 3.17Å; D628-R630 WeakPolarHBondContact OD2-CD 3.15Å; D628-R630 VanDerWaalsContact OD2-CG 3.28Å; D628-R630 WeakPolarHBondContact OD2-CG 3.44Å; D628-R630 IonicContact OD2-CZ 3.92Å; D628-R630 IonicContact OD2-NE 3.52Å; D628-R630 IonicContact OD2-NH1 2.8Å; D628-R630 PolarHBondContact OD2-NH1 3.41Å; R630-N645 PolarHBondContact O-ND2 2.99Å; R630-N645 VanDerWaalsContact O-ND2 3.15Å; R630-V646 PolarHBondContact O-N 2.82Å
631	L	98	Very high	98	Very high	46 Å²	46	27.1 Å²	27.1	24%	0.241	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.7	178.3	-57.3	177.3	0	0	0	110.6	F625 S626 I643 W644 N645 I652 W666	F625-L631 CarbonylContact C-O 3.59Å; F625-L631 WeakPolarHBondContact CA-O 3.4Å; S626-L631 PolarHBondContact N-O 2.75Å; S626-L631 PolarHBondContact OG-N 3.3Å; S626-L631 PolarHBondContact OG-O 2.85Å; L631-I643 HydrophobicContact CB-CG2 4.32Å; L631-I643 HydrophobicContact CD1-CG2 4.24Å; L631-W644 CarbonylContact C-O 3.58Å; L631-W644 WeakPolarHBondContact CA-O 3.2Å; L631-W644 WeakPolarHBondContact CD2-O 3.21Å; L631-N645 HydrophobicContact CD2-CB 4.36Å; L631-I652 HydrophobicContact CD2-CG1 4.38Å; L631-W666 HydrophobicContact CB-CH2 3.63Å; L631-W666 HydrophobicContact CB-CZ2 3.78Å; L631-W666 HydrophobicContact CD1-CH2 3.68Å; L631-W666 HydrophobicContact CD1-CZ3 4.24Å; L631-W666 HydrophobicContact CG-CH2 4.31Å
632	L	98.7	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.7	170.1	-170.1	80.7	0	0	0	108.2	A591 V599 L601 L613 V623 F625 T634 I643 W644 V646	A591-L632 HydrophobicContact CB-CD1 3.97Å; A591-L632 HydrophobicContact CB-CD2 4.39Å; V599-L632 HydrophobicContact CG1-CD2 3.83Å; L601-L632 HydrophobicContact CD2-CD2 4.19Å; L613-L632 HydrophobicContact CD1-CD2 4.06Å; V623-L632 HydrophobicContact CB-CD1 4.34Å; F625-L632 HydrophobicContact CD1-CD1 3.84Å; F625-L632 HydrophobicContact CD2-CD1 3.86Å; F625-L632 HydrophobicContact CE1-CD1 3.91Å; F625-L632 HydrophobicContact CE2-CD1 3.93Å; F625-L632 HydrophobicContact CG-CD1 3.82Å; F625-L632 HydrophobicContact CZ-CD1 3.96Å; L632-T634 HydrophobicContact CD2-CG2 3.59Å; L632-T634 HydrophobicContact CG-CG2 4.06Å; L632-I643 CarbonylContact O-C 3.42Å; L632-I643 WeakPolarHBondContact O-CA 3.28Å; L632-W644 HydrophobicContact CB-CB 4.43Å; L632-W644 PolarHBondContact N-O 3.36Å; L632-W644 PolarHBondContact O-N 3.35Å; L632-V646 HydrophobicContact CB-CG2 4.11Å
633	A	98.8	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	139	163.9	0	0	0	0	0	108.9	V623 A624 H642 I643 V664 W666 V673	V623-A633 CarbonylContact C-O 3.58Å; V623-A633 VanDerWaalsContact CA-O 3.29Å; V623-A633 WeakPolarHBondContact CA-O 3.45Å; A624-A633 PolarHBondContact N-O 3.39Å; A624-A633 PolarHBondContact O-N 2.83Å; A633-H642 CarbonylContact C-O 3.55Å; A633-H642 WeakPolarHBondContact CA-O 3.03Å; A633-I643 HydrophobicContact CB-CD1 3.71Å; A633-V664 HydrophobicContact CB-CB 4.34Å; A633-V664 HydrophobicContact CB-CG2 4.04Å; A633-W666 HydrophobicContact CB-CZ2 4.01Å; A633-V673 HydrophobicContact CB-CG1 4.11Å; A633-V673 HydrophobicContact CB-CG2 4.17Å
634	T	98.8	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.1	174.9	64.5	0	0	0	0	109.7	V599 H616 S622 V623 L632 V641 H642 W644	V599-T634 HydrophobicContact CB-CG2 4.35Å; V599-T634 HydrophobicContact CG1-CG2 4.12Å; V599-T634 HydrophobicContact CG2-CG2 3.86Å; H616-T634 PolarHBondContact NE2-OG1 2.91Å; S622-T634 WeakPolarHBondContact O-CA 3.39Å; V623-T634 HydrophobicContact CB-CG2 4.45Å; V623-T634 HydrophobicContact CG1-CG2 3.93Å; L632-T634 HydrophobicContact CD2-CG2 3.59Å; L632-T634 HydrophobicContact CG-CG2 4.06Å; T634-V641 WeakPolarHBondContact O-CA 3.33Å; T634-H642 PolarHBondContact N-O 2.77Å; T634-H642 PolarHBondContact O-N 3.41Å; T634-W644 PolarHBondContact OG1-NE1 2.68Å
635	G	98.4	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.3	179.9	0	0	0	0	0	112	V620 Y621 S622	V620-G635 VanDerWaalsContact CG1-O 3.31Å; V620-G635 WeakPolarHBondContact CG1-O 3.48Å; Y621-G635 PolarHBondContact N-O 2.95Å; S622-G635 PolarHBondContact O-N 3.04Å
636	S	98.6	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	162.8	-173.4	171	0	0	0	0	112.5	H616 E618 P619 D638 Q639 C640 I661	H616-S636 WeakPolarHBondContact ND1-CB 3.28Å; E618-S636 PolarHBondContact O-OG 3.45Å; P619-S636 VanDerWaalsContact O-CA 3.26Å; P619-S636 WeakPolarHBondContact O-CA 3.49Å; P619-S636 WeakPolarHBondContact O-CB 3.41Å; P619-S636 PolarHBondContact O-OG 3.42Å; S636-D638 VanDerWaalsContact CB-OD1 3.3Å; S636-D638 WeakPolarHBondContact CB-OD1 3.38Å; S636-D638 PolarHBondContact O-N 3.21Å; S636-D638 VanDerWaalsContact OG-CG 3.29Å; S636-D638 PolarHBondContact OG-N 2.9Å; S636-D638 PolarHBondContact OG-OD1 3.19Å; S636-Q639 PolarHBondContact O-N 3.38Å; S636-C640 PolarHBondContact N-O 2.83Å; S636-I661 PolarHBondContact O-N 3.25Å
637	F	97.6	Very high	97.8	Very high	71 Å²	71	29.1 Å²	29.1	31%	0.311	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.6	170.4	-97.2	-131.7	0	0	0	114.7	E618 P619 Y621 Q639 F662	E618-F637 HydrophobicContact CB-CB 4.19Å; P619-F637 PolarHBondContact O-N 2.81Å; P619-F637 VanDerWaalsContact O-N 3.14Å; Y621-F637 AromaticContact CD2-CD2 3.49Å; Y621-F637 HydrophobicContact CD2-CD2 3.49Å; Y621-F637 VanDerWaalsContact CD2-CD2 3.49Å; Y621-F637 AromaticContact CD2-CE2 3.87Å; Y621-F637 HydrophobicContact CD2-CE2 3.87Å; Y621-F637 HydrophobicContact CD2-CG 4.25Å; Y621-F637 HydrophobicContact CE2-CB 4.24Å; Y621-F637 HydrophobicContact CE2-CD1 4.44Å; Y621-F637 AromaticContact CE2-CD2 3.43Å; Y621-F637 HydrophobicContact CE2-CD2 3.43Å; Y621-F637 VanDerWaalsContact CE2-CD2 3.43Å; Y621-F637 AromaticContact CE2-CE2 3.85Å; Y621-F637 HydrophobicContact CE2-CE2 3.85Å; Y621-F637 AromaticContact CE2-CG 3.77Å; Y621-F637 HydrophobicContact CE2-CG 3.77Å; F637-Q639 PolarHBondContact O-N 2.81Å; F637-Q639 VanDerWaalsContact O-N 3.08Å; F637-F662 AromaticContact CE2-CD1 3.89Å; F637-F662 HydrophobicContact CE2-CD1 3.89Å; F637-F662 AromaticContact CE2-CE1 3.82Å; F637-F662 HydrophobicContact CE2-CE1 3.82Å; F637-F662 HydrophobicContact CE2-CG 4.29Å; F637-F662 HydrophobicContact CE2-CZ 4.16Å; F637-F662 HydrophobicContact CZ-CD1 4.19Å; F637-F662 AromaticContact CZ-CE1 3.63Å; F637-F662 HydrophobicContact CZ-CE1 3.63Å; F637-F662 HydrophobicContact CZ-CE2 4.26Å; F637-F662 AromaticContact CZ-CZ 3.68Å; F637-F662 HydrophobicContact CZ-CZ 3.68Å
638	D	98.1	Very high	97.9	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.102	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	11.5	165.2	67.1	17.7	0	0	0	113.5	H616 T617 E618 S636 C640	H616-D638 WeakPolarHBondContact CA-OD2 3.42Å; H616-D638 VanDerWaalsContact CB-OD2 3.3Å; H616-D638 WeakPolarHBondContact CB-OD2 3.29Å; H616-D638 IonicContact CE1-OD1 3.47Å; H616-D638 IonicContact CG-OD2 2.77Å; H616-D638 IonicContact ND1-OD1 3.23Å; H616-D638 PolarHBondContact ND1-OD1 2.6Å; H616-D638 VanDerWaalsContact ND1-OD1 3.14Å; H616-D638 IonicContact ND1-OD2 2.72Å; H616-D638 PolarHBondContact ND1-OD2 2.99Å; T617-D638 PolarHBondContact N-OD2 2.96Å; T617-D638 WeakPolarHBondContact OG1-CB 3.34Å; E618-D638 HydrophobicContact CB-CB 3.93Å; E618-D638 HydrophobicContact CG-CB 4.01Å; S636-D638 VanDerWaalsContact CB-OD1 3.3Å; S636-D638 WeakPolarHBondContact CB-OD1 3.38Å; S636-D638 PolarHBondContact O-N 3.21Å; S636-D638 VanDerWaalsContact OG-CG 3.29Å; S636-D638 PolarHBondContact OG-N 2.9Å; S636-D638 PolarHBondContact OG-OD1 3.19Å; D638-C640 PolarHBondContact O-N 2.81Å; D638-C640 VanDerWaalsContact O-N 3.15Å; D638-C640 PolarHBondContact O-SG 2.96Å; D638-C640 VanDerWaalsContact O-SG 3.4Å; D638-C640 WeakPolarHBondContact OD1-CB 3.48Å; D638-C640 PolarHBondContact OD1-N 2.72Å
639	Q	98.2	Very high	97.9	Very high	75 Å²	75	27.2 Å²	27.2	35%	0.35	14%	0.137	S	C	.	.	S	Bend	trans	66.1	9.1	178.1	-42.3	-177.1	-0.7	0	0	113.2	S636 F637 G657 G659	S636-Q639 PolarHBondContact O-N 3.38Å; F637-Q639 PolarHBondContact O-N 2.81Å; F637-Q639 VanDerWaalsContact O-N 3.08Å; Q639-G657 PolarHBondContact O-N 2.85Å; Q639-G657 PolarHBondContact OE1-O 3.31Å; Q639-G659 WeakPolarHBondContact CA-O 3.41Å; Q639-G659 WeakPolarHBondContact CB-O 3.4Å
640	C	98.3	Very high	97.9	Very high	15 Å²	15	30.4 Å²	30.4	10%	0.101	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	147.7	-178.7	-59.4	0	0	0	0	113	H616 S636 D638 Y655	H616-C640 PolarHBondContact CE1-O 2.85Å; S636-C640 PolarHBondContact N-O 2.83Å; D638-C640 PolarHBondContact O-N 2.81Å; D638-C640 VanDerWaalsContact O-N 3.15Å; D638-C640 PolarHBondContact O-SG 2.96Å; D638-C640 VanDerWaalsContact O-SG 3.4Å; D638-C640 WeakPolarHBondContact OD1-CB 3.48Å; D638-C640 PolarHBondContact OD1-N 2.72Å; C640-Y655 CarbonylContact C-O 3.5Å; C640-Y655 WeakPolarHBondContact CA-O 3.26Å; C640-Y655 WeakPolarHBondContact CB-O 3.46Å
641	V	98.7	Very high	97.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.2	160.8	179.6	0	0	0	0	107.9	T634 I643 S654 Y655 I661 V664 V673 A675 L685	T634-V641 WeakPolarHBondContact O-CA 3.33Å; V641-I643 HydrophobicContact CG1-CD1 4.18Å; V641-S654 WeakPolarHBondContact O-CA 3.31Å; V641-Y655 HydrophobicContact CB-CD1 4.29Å; V641-Y655 HydrophobicContact CG2-CD1 4.15Å; V641-Y655 PolarHBondContact N-O 3.02Å; V641-Y655 PolarHBondContact O-N 3.33Å; V641-I661 HydrophobicContact CG2-CD1 4.22Å; V641-I661 HydrophobicContact CG2-CG1 3.96Å; V641-I661 HydrophobicContact CG2-CG2 4.28Å; V641-V664 HydrophobicContact CG1-CG1 4.16Å; V641-V664 HydrophobicContact CG2-CG1 4.07Å; V641-V673 HydrophobicContact CG1-CG1 4.42Å; V641-A675 HydrophobicContact CG2-CB 3.8Å; V641-L685 HydrophobicContact CB-CD1 3.95Å; V641-L685 HydrophobicContact CG1-CD1 3.84Å; V641-L685 HydrophobicContact CG2-CD1 4.37Å
642	H	98.5	Very high	97.8	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.056	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.8	179.5	-72.6	-9.7	0	0	0	110.6	H616 A633 T634 W644 L651 S654	H616-H642 AromaticContact CD2-CD2 3.96Å; H616-H642 AromaticContact CE1-CD2 3.52Å; H616-H642 AromaticContact CE1-CG 3.74Å; H616-H642 AromaticContact ND1-CD2 3.81Å; H616-H642 AromaticContact ND1-NE2 3.98Å; H616-H642 AromaticContact NE2-CD2 3.6Å; H616-H642 AromaticContact NE2-CG 3.83Å; A633-H642 CarbonylContact C-O 3.55Å; A633-H642 WeakPolarHBondContact CA-O 3.03Å; T634-H642 PolarHBondContact N-O 2.77Å; T634-H642 PolarHBondContact O-N 3.41Å; H642-W644 HydrophobicContact CB-CZ2 4Å; H642-W644 AromaticContact CD2-CZ2 3.78Å; H642-L651 HydrophobicContact CB-CD1 3.63Å; H642-S654 PolarHBondContact CE1-OG 2.82Å; H642-S654 PolarHBondContact ND1-OG 3.17Å
643	I	98.4	Very high	97.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.5	176.5	-48.1	-58.5	0	0	0	108.9	L631 L632 A633 V641 I652 N653 W666 V673 L687	L631-I643 HydrophobicContact CB-CG2 4.32Å; L631-I643 HydrophobicContact CD1-CG2 4.24Å; L632-I643 CarbonylContact O-C 3.42Å; L632-I643 WeakPolarHBondContact O-CA 3.28Å; A633-I643 HydrophobicContact CB-CD1 3.71Å; V641-I643 HydrophobicContact CG1-CD1 4.18Å; I643-I652 WeakPolarHBondContact O-CB 3.2Å; I643-I652 PolarHBondContact O-N 3.41Å; I643-N653 HydrophobicContact CB-CB 4.01Å; I643-N653 HydrophobicContact CG1-CB 4.06Å; I643-N653 PolarHBondContact N-O 2.99Å; I643-N653 PolarHBondContact O-N 3.15Å; I643-W666 HydrophobicContact CD1-CZ2 4.38Å; I643-W666 HydrophobicContact CG2-CH2 3.95Å; I643-W666 HydrophobicContact CG2-CZ2 4.2Å; I643-V673 HydrophobicContact CD1-CG2 3.91Å; I643-L687 HydrophobicContact CD1-CD1 4.36Å; I643-L687 HydrophobicContact CG1-CD1 4.22Å; I643-L687 HydrophobicContact CG1-CD2 4.21Å; I643-L687 HydrophobicContact CG2-CD1 4.27Å
644	W	98.4	Very high	97.6	Very high	8 Å²	8	27.4 Å²	27.4	3%	0.03	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.6	-173.2	-50.6	87.5	0	0	0	111.1	L613 R615 L631 L632 T634 H642 N650 L651	L613-W644 HydrophobicContact CB-CD2 4.25Å; L613-W644 HydrophobicContact CB-CE3 4.24Å; L613-W644 HydrophobicContact CB-CH2 3.74Å; L613-W644 HydrophobicContact CB-CZ2 3.82Å; L613-W644 HydrophobicContact CB-CZ3 3.99Å; L613-W644 HydrophobicContact CD1-CB 4.26Å; L613-W644 HydrophobicContact CD1-CD2 3.89Å; L613-W644 HydrophobicContact CD1-CE3 4.34Å; L613-W644 HydrophobicContact CD1-CG 3.86Å; L613-W644 HydrophobicContact CD2-CD2 4.25Å; L613-W644 HydrophobicContact CD2-CE3 3.84Å; L613-W644 HydrophobicContact CD2-CZ3 4.08Å; L613-W644 HydrophobicContact CG-CD2 4.36Å; L613-W644 HydrophobicContact CG-CE3 4.36Å; R615-W644 HydrophobicContact CB-CH2 3.56Å; R615-W644 HydrophobicContact CB-CZ2 4.01Å; R615-W644 HydrophobicContact CG-CH2 3.43Å; R615-W644 VanDerWaalsContact CG-CH2 3.43Å; R615-W644 HydrophobicContact CG-CZ2 4.34Å; R615-W644 HydrophobicContact CG-CZ3 4.04Å; L631-W644 CarbonylContact C-O 3.58Å; L631-W644 WeakPolarHBondContact CA-O 3.2Å; L631-W644 WeakPolarHBondContact CD2-O 3.21Å; L632-W644 HydrophobicContact CB-CB 4.43Å; L632-W644 PolarHBondContact N-O 3.36Å; L632-W644 PolarHBondContact O-N 3.35Å; T634-W644 PolarHBondContact OG1-NE1 2.68Å; H642-W644 HydrophobicContact CB-CZ2 4Å; H642-W644 AromaticContact CD2-CZ2 3.78Å; W644-N650 WeakPolarHBondContact CA-O 3.45Å; W644-L651 HydrophobicContact CD2-CD1 4.12Å; W644-L651 HydrophobicContact CE3-CB 3.98Å; W644-L651 HydrophobicContact CE3-CD1 4.21Å; W644-L651 HydrophobicContact CZ2-CD1 4.47Å; W644-L651 HydrophobicContact CZ3-CB 4.02Å; W644-L651 HydrophobicContact CZ3-CD1 4.45Å
645	N	97.8	Very high	97.6	Very high	37 Å²	37	28.3 Å²	28.3	20%	0.198	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.7	163	168.2	-109.4	0	0	0	110.2	R630 L631 D647 S648 G649 N650 I652	R630-N645 PolarHBondContact O-ND2 2.99Å; R630-N645 VanDerWaalsContact O-ND2 3.15Å; L631-N645 HydrophobicContact CD2-CB 4.36Å; N645-D647 PolarHBondContact O-N 3.05Å; N645-S648 PolarHBondContact O-N 2.9Å; N645-S648 WeakPolarHBondContact OD1-CB 3.43Å; N645-S648 PolarHBondContact OD1-N 2.91Å; N645-S648 PolarHBondContact OD1-OG 3.42Å; N645-G649 WeakPolarHBondContact O-CA 3.44Å; N645-G649 PolarHBondContact O-N 2.84Å; N645-N650 PolarHBondContact N-O 2.83Å; N645-I652 HydrophobicContact CB-CD1 3.86Å; N645-I652 HydrophobicContact CB-CG1 3.87Å
646	V	97.7	Very high	97.5	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.036	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-44.4	-170.8	170.6	0	0	0	0	112.5	L601 F625 G629 R630 L632	L601-V646 HydrophobicContact CD1-CB 4.45Å; L601-V646 HydrophobicContact CD1-CG1 4.12Å; F625-V646 HydrophobicContact CD1-CG2 3.86Å; F625-V646 HydrophobicContact CE1-CG1 4.06Å; F625-V646 HydrophobicContact CE1-CG2 3.65Å; G629-V646 WeakPolarHBondContact O-CG2 3.32Å; R630-V646 PolarHBondContact O-N 2.82Å; L632-V646 HydrophobicContact CB-CG2 4.11Å
647	D	96.1	Very high	97.3	Very high	78 Å²	78	34.8 Å²	34.8	42%	0.417	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-38.8	-176.3	-70	-55.1	0	0	0	113.6	R610 R611 N645	R610-D647 IonicContact CZ-OD1 3.77Å; R610-D647 IonicContact NH1-OD1 3.88Å; R610-D647 IonicContact NH2-OD1 2.76Å; R610-D647 PolarHBondContact NH2-OD1 2.87Å; R611-D647 VanDerWaalsContact CZ-O 3.28Å; R611-D647 PolarHBondContact NE-O 2.97Å; R611-D647 PolarHBondContact NH2-O 2.89Å; N645-D647 PolarHBondContact O-N 3.05Å
648	S	96.4	Very high	97.2	Very high	36 Å²	36	36 Å²	36	25%	0.252	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-23.1	-178.4	64.2	0	0	0	0	114.5	R611 N645 N650	R611-S648 VanDerWaalsContact NE-C 3.3Å; R611-S648 PolarHBondContact NE-O 3.22Å; R611-S648 PolarHBondContact NH1-O 3.29Å; N645-S648 PolarHBondContact O-N 2.9Å; N645-S648 WeakPolarHBondContact OD1-CB 3.43Å; N645-S648 PolarHBondContact OD1-N 2.91Å; N645-S648 PolarHBondContact OD1-OG 3.42Å; S648-N650 WeakPolarHBondContact CB-ND2 3.44Å; S648-N650 PolarHBondContact O-N 2.64Å; S648-N650 WeakPolarHBondContact OG-CB 3.37Å; S648-N650 PolarHBondContact OG-N 3.05Å; S648-N650 PolarHBondContact OG-ND2 3.47Å
649	G	96.4	Very high	97.1	Very high	14 Å²	14	35.3 Å²	35.3	14%	0.144	20%	0.196	C	C	.	.			trans	71.5	6.8	-168.6	0	0	0	0	0	114.2	N645	N645-G649 WeakPolarHBondContact O-CA 3.44Å; N645-G649 PolarHBondContact O-N 2.84Å
650	N	96.8	Very high	97.1	Very high	76 Å²	76	31.9 Å²	31.9	41%	0.406	18%	0.181	S	C	.	.			trans	-74.6	137.4	-179.9	-71.7	-38.1	0	0	0	111.5	W644 N645 S648 I652	W644-N650 WeakPolarHBondContact CA-O 3.45Å; N645-N650 PolarHBondContact N-O 2.83Å; S648-N650 WeakPolarHBondContact CB-ND2 3.44Å; S648-N650 PolarHBondContact O-N 2.64Å; S648-N650 WeakPolarHBondContact OG-CB 3.37Å; S648-N650 PolarHBondContact OG-N 3.05Å; S648-N650 PolarHBondContact OG-ND2 3.47Å; N650-I652 HydrophobicContact CB-CD1 4.39Å; N650-I652 PolarHBondContact O-N 2.98Å
651	L	97.2	Very high	97.1	Very high	27 Å²	27	31.2 Å²	31.2	14%	0.141	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	120.6	168.9	-176.1	63.8	0	0	0	109.5	T327 R615 H642 W644 N653	T327-L651 HydrophobicContact CG2-CD2 3.55Å; T327-L651 HydrophobicContact CG2-CG 4.13Å; R615-L651 HydrophobicContact CG-CD2 4.32Å; H642-L651 HydrophobicContact CB-CD1 3.63Å; W644-L651 HydrophobicContact CD2-CD1 4.12Å; W644-L651 HydrophobicContact CE3-CB 3.98Å; W644-L651 HydrophobicContact CE3-CD1 4.21Å; W644-L651 HydrophobicContact CZ2-CD1 4.47Å; W644-L651 HydrophobicContact CZ3-CB 4.02Å; W644-L651 HydrophobicContact CZ3-CD1 4.45Å; L651-N653 WeakPolarHBondContact CD1-O 3.46Å
652	I	96.4	Very high	97	Very high	54 Å²	54	33 Å²	33	28%	0.277	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-46.9	-175.8	-55.2	-57.2	0	0	0	110.8	L631 I643 N645 N650	L631-I652 HydrophobicContact CD2-CG1 4.38Å; I643-I652 WeakPolarHBondContact O-CB 3.2Å; I643-I652 PolarHBondContact O-N 3.41Å; N645-I652 HydrophobicContact CB-CD1 3.86Å; N645-I652 HydrophobicContact CB-CG1 3.87Å; N650-I652 HydrophobicContact CB-CD1 4.39Å; N650-I652 PolarHBondContact O-N 2.98Å
653	N	96.1	Very high	97	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.3	177.8	-82.1	106.6	0	0	0	111.1	R328 I330 I643 L651 L687	R328-N653 VanDerWaalsContact O-CA 3.3Å; R328-N653 WeakPolarHBondContact O-CA 3.25Å; R328-N653 PolarHBondContact O-ND2 2.87Å; I330-N653 HydrophobicContact CD1-CB 4.16Å; I330-N653 HydrophobicContact CG1-CB 3.86Å; I643-N653 HydrophobicContact CB-CB 4.01Å; I643-N653 HydrophobicContact CG1-CB 4.06Å; I643-N653 PolarHBondContact N-O 2.99Å; I643-N653 PolarHBondContact O-N 3.15Å; L651-N653 WeakPolarHBondContact CD1-O 3.46Å; N653-L687 HydrophobicContact CB-CD2 4.35Å
654	S	97	Very high	97.1	Very high	22 Å²	22	34.9 Å²	34.9	15%	0.154	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.8	174.1	-168.3	0	0	0	0	111.1	R328 Q329 I330 V641 H642	R328-S654 PolarHBondContact O-N 3.46Å; Q329-S654 CarbonylContact C-O 3.58Å; Q329-S654 VanDerWaalsContact CA-O 3.32Å; Q329-S654 WeakPolarHBondContact CA-O 3.42Å; I330-S654 PolarHBondContact N-O 2.59Å; V641-S654 WeakPolarHBondContact O-CA 3.31Å; H642-S654 PolarHBondContact CE1-OG 2.82Å; H642-S654 PolarHBondContact ND1-OG 3.17Å
655	Y	97.7	Very high	97.1	Very high	18 Å²	18	35.2 Å²	35.2	7%	0.071	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.8	166.8	167.6	-110.3	0	0	0	108.8	I335 C640 V641 G657 V683 L685	I335-Y655 HydrophobicContact CD1-CD2 3.59Å; I335-Y655 HydrophobicContact CD1-CE2 3.87Å; I335-Y655 HydrophobicContact CG1-CD2 4.2Å; I335-Y655 HydrophobicContact CG1-CE2 4.43Å; I335-Y655 HydrophobicContact CG2-CD2 4.22Å; I335-Y655 HydrophobicContact CG2-CE2 3.67Å; C640-Y655 CarbonylContact C-O 3.5Å; C640-Y655 WeakPolarHBondContact CA-O 3.26Å; C640-Y655 WeakPolarHBondContact CB-O 3.46Å; V641-Y655 HydrophobicContact CB-CD1 4.29Å; V641-Y655 HydrophobicContact CG2-CD1 4.15Å; V641-Y655 PolarHBondContact N-O 3.02Å; V641-Y655 PolarHBondContact O-N 3.33Å; Y655-G657 VanDerWaalsContact CZ-CA 3.47Å; Y655-G657 VanDerWaalsContact OH-CA 3.24Å; Y655-G657 WeakPolarHBondContact OH-CA 3.42Å; Y655-V683 HydrophobicContact CD1-CG1 4.43Å; Y655-V683 HydrophobicContact CE1-CB 4.17Å; Y655-V683 HydrophobicContact CE1-CG1 3.78Å; Y655-V683 HydrophobicContact CE1-CG2 4.03Å; Y655-V683 HydrophobicContact CE2-CG1 4.4Å; Y655-L685 HydrophobicContact CD1-CD1 4.15Å; Y655-L685 HydrophobicContact CD1-CD2 3.94Å; Y655-L685 HydrophobicContact CD2-CD2 3.89Å; Y655-L685 HydrophobicContact CE1-CD2 4.5Å; Y655-L685 HydrophobicContact CE2-CD2 4.46Å; Y655-L685 HydrophobicContact CG-CD1 4.17Å; Y655-L685 HydrophobicContact CG-CD2 3.6Å
656	Q	97.4	Very high	97.1	Very high	123 Å²	123	34.6 Å²	34.6	58%	0.575	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	124	170.8	-175.5	172.8	24.3	0	0	107.5
657	G	94.4	Very high	97.1	Very high	14 Å²	14	34.3 Å²	34.3	14%	0.144	19%	0.19	C	C	.	.			trans	-100.6	-148.1	-178.9	0	0	0	0	0	113	Q639 Y655	Q639-G657 PolarHBondContact O-N 2.85Å; Q639-G657 PolarHBondContact OE1-O 3.31Å; Y655-G657 VanDerWaalsContact CZ-CA 3.47Å; Y655-G657 VanDerWaalsContact OH-CA 3.24Å; Y655-G657 WeakPolarHBondContact OH-CA 3.42Å
658	T	95.7	Very high	97	Very high	97 Å²	97	33.1 Å²	33.1	60%	0.595	19%	0.188	S	C	*	.	S	Bend	trans	-125.7	-4.4	-176.5	38.1	0	0	0	0	114.2	D679	T658-D679 VanDerWaalsContact CB-OD2 3.3Å; T658-D679 WeakPolarHBondContact CB-OD2 3.46Å; T658-D679 PolarHBondContact OG1-OD2 3.45Å
659	G	96	Very high	97	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	-138.3	160.9	174.8	0	0	0	0	0	111	Q639 D679	Q639-G659 WeakPolarHBondContact CA-O 3.41Å; Q639-G659 WeakPolarHBondContact CB-O 3.4Å; G659-D679 PolarHBondContact N-OD2 2.68Å
660	G	97.7	Very high	96.9	Very high	3 Å²	3	38 Å²	38	3%	0.031	20%	0.203	C	C	.	.			trans	-67.4	137.5	176.7	0	0	0	0	0	110.7	A677 S678	G660-A677 CarbonylContact O-C 3.55Å; G660-A677 VanDerWaalsContact O-CA 3.25Å; G660-A677 WeakPolarHBondContact O-CA 3.34Å; G660-S678 PolarHBondContact N-OG 2.71Å; G660-S678 PolarHBondContact O-N 3.45Å
661	I	98.4	Very high	96.9	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.2	-174.4	-49.3	-58.6	0	0	0	110	S636 V641 V664 A675 A677	S636-I661 PolarHBondContact O-N 3.25Å; V641-I661 HydrophobicContact CG2-CD1 4.22Å; V641-I661 HydrophobicContact CG2-CG1 3.96Å; V641-I661 HydrophobicContact CG2-CG2 4.28Å; I661-V664 HydrophobicContact CG2-CG1 3.73Å; I661-A675 HydrophobicContact CG2-CB 4.13Å; I661-A677 HydrophobicContact CD1-CB 4.07Å
662	F	97.7	Very high	96.9	Very high	38 Å²	38	35 Å²	35	17%	0.167	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-60.8	174	-72.9	-73.2	0	0	0	111.7	E344 F346 S622 F637 S676	E344-F662 HydrophobicContact CB-CE2 3.99Å; E344-F662 HydrophobicContact CG-CE2 4.24Å; F346-F662 HydrophobicContact CD1-CD1 4.32Å; F346-F662 HydrophobicContact CD1-CD2 4.15Å; F346-F662 AromaticContact CD1-CE1 3.98Å; F346-F662 HydrophobicContact CD1-CE1 3.98Å; F346-F662 AromaticContact CD1-CE2 3.79Å; F346-F662 HydrophobicContact CD1-CE2 3.79Å; F346-F662 HydrophobicContact CD1-CG 4.39Å; F346-F662 AromaticContact CD1-CZ 3.7Å; F346-F662 HydrophobicContact CD1-CZ 3.7Å; F346-F662 HydrophobicContact CE1-CE1 4.39Å; F346-F662 HydrophobicContact CE1-CE2 4.11Å; F346-F662 AromaticContact CE1-CZ 3.82Å; F346-F662 HydrophobicContact CE1-CZ 3.82Å; F346-F662 WeakPolarHBondContact O-CB 3.25Å; S622-F662 WeakPolarHBondContact CB-O 3.32Å; F637-F662 AromaticContact CE2-CD1 3.89Å; F637-F662 HydrophobicContact CE2-CD1 3.89Å; F637-F662 AromaticContact CE2-CE1 3.82Å; F637-F662 HydrophobicContact CE2-CE1 3.82Å; F637-F662 HydrophobicContact CE2-CG 4.29Å; F637-F662 HydrophobicContact CE2-CZ 4.16Å; F637-F662 HydrophobicContact CZ-CD1 4.19Å; F637-F662 AromaticContact CZ-CE1 3.63Å; F637-F662 HydrophobicContact CZ-CE1 3.63Å; F637-F662 HydrophobicContact CZ-CE2 4.26Å; F637-F662 AromaticContact CZ-CZ 3.68Å; F637-F662 HydrophobicContact CZ-CZ 3.68Å; F662-S676 PolarHBondContact N-O 2.8Å
663	E	98.4	Very high	97	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.234	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145	-179.4	-172.5	161.5	-141.4	0	0	112.8	I347 C348 A675 S676	I347-E663 VanDerWaalsContact CA-OE2 3.31Å; I347-E663 WeakPolarHBondContact CA-OE2 3.35Å; I347-E663 WeakPolarHBondContact CB-OE2 3.05Å; C348-E663 PolarHBondContact N-OE2 3.39Å; E663-A675 CarbonylContact O-C 3.52Å; E663-A675 VanDerWaalsContact O-CA 3.25Å; E663-A675 WeakPolarHBondContact O-CA 3.41Å; E663-S676 PolarHBondContact N-OG 3Å; E663-S676 PolarHBondContact O-N 2.93Å
664	V	98.8	Very high	97.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.4	165.9	-63.2	0	0	0	0	110.6	S622 A624 A633 V641 I661 V673 G674 A675	S622-V664 PolarHBondContact OG-N 3.14Å; A624-V664 HydrophobicContact CB-CG2 4.49Å; A624-V664 WeakPolarHBondContact CB-O 3.37Å; A633-V664 HydrophobicContact CB-CB 4.34Å; A633-V664 HydrophobicContact CB-CG2 4.04Å; V641-V664 HydrophobicContact CG1-CG1 4.16Å; V641-V664 HydrophobicContact CG2-CG1 4.07Å; I661-V664 HydrophobicContact CG2-CG1 3.73Å; V664-V673 HydrophobicContact CB-CG1 4.45Å; V664-G674 CarbonylContact C-O 3.56Å; V664-G674 WeakPolarHBondContact CA-O 3.06Å; V664-A675 HydrophobicContact CG1-CB 4.01Å
665	C	98.6	Very high	97.2	Very high	14 Å²	14	30.2 Å²	30.2	10%	0.095	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.7	-177.3	63.6	0	0	0	0	112.4	C348 W350 V673 G674	C348-C665 WeakPolarHBondContact O-CB 3.34Å; C348-C665 PolarHBondContact O-SG 2.86Å; C348-C665 VanDerWaalsContact SG-SG 3.7Å; W350-C665 PolarHBondContact NE1-O 3.49Å; C665-V673 CarbonylContact O-C 3.57Å; C665-V673 VanDerWaalsContact O-CA 3.29Å; C665-V673 WeakPolarHBondContact O-CA 3.31Å; C665-G674 PolarHBondContact N-O 3.19Å; C665-G674 PolarHBondContact O-N 2.85Å
666	W	98.5	Very high	97.2	Very high	24 Å²	24	29.4 Å²	29.4	9%	0.091	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.7	178.7	-67.6	80.6	0	0	0	111.6	W350 A624 F625 L631 A633 I643 V673 L687	W350-W666 VanDerWaalsContact CD1-O 3.24Å; A624-W666 PolarHBondContact O-NE1 3.03Å; F625-W666 VanDerWaalsContact C-CD1 3.47Å; L631-W666 HydrophobicContact CB-CH2 3.63Å; L631-W666 HydrophobicContact CB-CZ2 3.78Å; L631-W666 HydrophobicContact CD1-CH2 3.68Å; L631-W666 HydrophobicContact CD1-CZ3 4.24Å; L631-W666 HydrophobicContact CG-CH2 4.31Å; A633-W666 HydrophobicContact CB-CZ2 4.01Å; I643-W666 HydrophobicContact CD1-CZ2 4.38Å; I643-W666 HydrophobicContact CG2-CH2 3.95Å; I643-W666 HydrophobicContact CG2-CZ2 4.2Å; W666-V673 HydrophobicContact CD2-CG2 3.54Å; W666-V673 HydrophobicContact CE3-CG2 3.64Å; W666-V673 HydrophobicContact CG-CG2 4.17Å; W666-V673 HydrophobicContact CH2-CG2 3.93Å; W666-V673 HydrophobicContact CZ2-CG2 3.83Å; W666-V673 HydrophobicContact CZ3-CG2 3.86Å; W666-L687 HydrophobicContact CE3-CD1 4.48Å; W666-L687 HydrophobicContact CH2-CD1 3.55Å; W666-L687 HydrophobicContact CZ3-CD1 3.49Å; W666-L687 VanDerWaalsContact CZ3-CD1 3.49Å
667	N	97.7	Very high	97.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.129	C	C	.	.			trans	-72.3	162.2	167.6	78.2	-26	0	0	0	111.4	W350 D355 P627 R669 G670 D671 K672	W350-N667 HydrophobicContact CB-CB 4.37Å; W350-N667 HydrophobicContact CD2-CB 3.57Å; W350-N667 HydrophobicContact CE3-CB 3.8Å; W350-N667 HydrophobicContact CG-CB 3.84Å; W350-N667 HydrophobicContact CZ2-CB 4.4Å; W350-N667 HydrophobicContact CZ3-CB 4.3Å; D355-N667 PolarHBondContact OD1-ND2 3.27Å; P627-N667 WeakPolarHBondContact CG-O 3.29Å; N667-R669 PolarHBondContact O-N 3.22Å; N667-G670 PolarHBondContact O-N 2.81Å; N667-G670 PolarHBondContact OD1-N 3.18Å; N667-G670 VanDerWaalsContact OD1-N 3.13Å; N667-D671 PolarHBondContact ND2-OD1 3.17Å; N667-D671 PolarHBondContact OD1-N 3.14Å; N667-K672 HydrophobicContact CB-CB 4.45Å; N667-K672 PolarHBondContact N-O 3.4Å; N667-K672 PolarHBondContact OD1-N 3.22Å; N667-K672 PolarHBondContact OD1-O 3.13Å
668	S	94.3	Very high	97.4	Very high	53 Å²	53	24.9 Å²	24.9	37%	0.371	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.4	-175.7	59.7	0	0	0	0	114.8	P352	P352-S668 VanDerWaalsContact O-CB 3.28Å; P352-S668 WeakPolarHBondContact O-CB 3.33Å
669	R	94.9	Very high	97.4	Very high	131 Å²	131	23.1 Å²	23.1	49%	0.494	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-13	175.4	-60	-164.3	-55.4	-77.2	-8.2	114.5	D355 N667 D671 K672	D355-R669 VanDerWaalsContact CG-NH1 3.34Å; D355-R669 IonicContact OD1-CZ 3.05Å; D355-R669 IonicContact OD1-NH1 3.67Å; D355-R669 PolarHBondContact OD1-NH1 2.87Å; D355-R669 IonicContact OD1-NH2 3.5Å; D355-R669 PolarHBondContact OD1-NH2 2.66Å; D355-R669 IonicContact OD2-CZ 3.14Å; D355-R669 IonicContact OD2-NH1 3.09Å; D355-R669 PolarHBondContact OD2-NH1 2.91Å; D355-R669 IonicContact OD2-NH2 3.52Å; D355-R669 PolarHBondContact OD2-NH2 2.84Å; N667-R669 PolarHBondContact O-N 3.22Å; R669-D671 VanDerWaalsContact C-N 3.27Å; R669-D671 IonicContact CZ-OD1 3.71Å; R669-D671 IonicContact CZ-OD2 3.3Å; R669-D671 VanDerWaalsContact CZ-OD2 3.23Å; R669-D671 IonicContact NE-OD2 3.52Å; R669-D671 PolarHBondContact NE-OD2 2.88Å; R669-D671 VanDerWaalsContact NH2-CG 3.31Å; R669-D671 IonicContact NH2-OD1 4Å; R669-D671 PolarHBondContact NH2-OD1 2.79Å; R669-D671 IonicContact NH2-OD2 2.94Å; R669-D671 PolarHBondContact NH2-OD2 3.44Å; R669-D671 PolarHBondContact O-N 2.95Å; R669-K672 VanDerWaalsContact NH2-NZ 3.17Å
670	G	96.2	Very high	97.4	Very high	21 Å²	21	23.4 Å²	23.4	22%	0.216	13%	0.126	C	C	.	.	S	Bend	trans	69.4	20.7	-173.3	0	0	0	0	0	114.4	N667	N667-G670 PolarHBondContact O-N 2.81Å; N667-G670 PolarHBondContact OD1-N 3.18Å; N667-G670 VanDerWaalsContact OD1-N 3.13Å
671	D	95.9	Very high	97.3	Very high	26 Å²	26	23.4 Å²	23.4	14%	0.139	13%	0.125	C	C	.	.	S	Bend	trans	-100.5	-13.8	-179.3	74.4	23.5	0	0	0	114.3	N667 R669 L687 R688	N667-D671 PolarHBondContact ND2-OD1 3.17Å; N667-D671 PolarHBondContact OD1-N 3.14Å; R669-D671 VanDerWaalsContact C-N 3.27Å; R669-D671 IonicContact CZ-OD1 3.71Å; R669-D671 IonicContact CZ-OD2 3.3Å; R669-D671 VanDerWaalsContact CZ-OD2 3.23Å; R669-D671 IonicContact NE-OD2 3.52Å; R669-D671 PolarHBondContact NE-OD2 2.88Å; R669-D671 VanDerWaalsContact NH2-CG 3.31Å; R669-D671 IonicContact NH2-OD1 4Å; R669-D671 PolarHBondContact NH2-OD1 2.79Å; R669-D671 IonicContact NH2-OD2 2.94Å; R669-D671 PolarHBondContact NH2-OD2 3.44Å; R669-D671 PolarHBondContact O-N 2.95Å; D671-L687 PolarHBondContact O-N 3.15Å; D671-R688 HydrophobicContact CB-CG 3.92Å
672	K	97.2	Very high	97.3	Very high	14 Å²	14	23.4 Å²	23.4	6%	0.061	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.7	173.3	-68.2	173.9	-156.3	73	0	112.3	W350 D355 N667 R669 V684 L685	W350-K672 HydrophobicContact CH2-CB 4.08Å; W350-K672 HydrophobicContact CH2-CD 3.84Å; W350-K672 HydrophobicContact CZ2-CB 3.79Å; W350-K672 HydrophobicContact CZ2-CD 4.39Å; D355-K672 IonicContact OD2-NZ 3.8Å; D355-K672 PolarHBondContact OD2-NZ 2.96Å; N667-K672 HydrophobicContact CB-CB 4.45Å; N667-K672 PolarHBondContact N-O 3.4Å; N667-K672 PolarHBondContact OD1-N 3.22Å; N667-K672 PolarHBondContact OD1-O 3.13Å; R669-K672 VanDerWaalsContact NH2-NZ 3.17Å; K672-V684 HydrophobicContact CB-CG1 4.34Å; K672-V684 HydrophobicContact CD-CG1 3.83Å; K672-V684 HydrophobicContact CG-CG1 4.3Å; K672-L685 VanDerWaalsContact CA-O 3.28Å; K672-L685 WeakPolarHBondContact CA-O 3.39Å
673	V	98.5	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.6	164.8	172	0	0	0	0	108.8	A633 V641 I643 V664 C665 W666 V684 L685 L687	A633-V673 HydrophobicContact CB-CG1 4.11Å; A633-V673 HydrophobicContact CB-CG2 4.17Å; V641-V673 HydrophobicContact CG1-CG1 4.42Å; I643-V673 HydrophobicContact CD1-CG2 3.91Å; V664-V673 HydrophobicContact CB-CG1 4.45Å; C665-V673 CarbonylContact O-C 3.57Å; C665-V673 VanDerWaalsContact O-CA 3.29Å; C665-V673 WeakPolarHBondContact O-CA 3.31Å; W666-V673 HydrophobicContact CD2-CG2 3.54Å; W666-V673 HydrophobicContact CE3-CG2 3.64Å; W666-V673 HydrophobicContact CG-CG2 4.17Å; W666-V673 HydrophobicContact CH2-CG2 3.93Å; W666-V673 HydrophobicContact CZ2-CG2 3.83Å; W666-V673 HydrophobicContact CZ3-CG2 3.86Å; V673-V684 WeakPolarHBondContact O-CA 3.43Å; V673-L685 HydrophobicContact CB-CB 4.38Å; V673-L685 PolarHBondContact N-O 3.39Å; V673-L685 PolarHBondContact O-N 3.49Å; V673-L687 HydrophobicContact CG2-CD1 3.94Å
674	G	98.4	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.9	165.2	0	0	0	0	0	109.3	V664 C665 V683	V664-G674 CarbonylContact C-O 3.56Å; V664-G674 WeakPolarHBondContact CA-O 3.06Å; C665-G674 PolarHBondContact N-O 3.19Å; C665-G674 PolarHBondContact O-N 2.85Å; G674-V683 CarbonylContact C-O 3.44Å; G674-V683 WeakPolarHBondContact CA-O 3.33Å
675	A	98.7	Very high	97.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.7	174.5	0	0	0	0	0	110.4	V641 I661 E663 V664 V682 V683	V641-A675 HydrophobicContact CG2-CB 3.8Å; I661-A675 HydrophobicContact CG2-CB 4.13Å; E663-A675 CarbonylContact O-C 3.52Å; E663-A675 VanDerWaalsContact O-CA 3.25Å; E663-A675 WeakPolarHBondContact O-CA 3.41Å; V664-A675 HydrophobicContact CG1-CB 4.01Å; A675-V682 CarbonylContact O-C 3.54Å; A675-V682 WeakPolarHBondContact O-CA 3.48Å; A675-V683 PolarHBondContact N-O 2.69Å; A675-V683 PolarHBondContact O-N 2.94Å
676	S	98.4	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.3	178.3	68.3	0	0	0	0	111.2	V345 I347 F662 E663	V345-S676 CarbonylContact O-C 3.55Å; V345-S676 WeakPolarHBondContact O-CB 3.2Å; V345-S676 PolarHBondContact O-OG 3.05Å; I347-S676 PolarHBondContact N-OG 2.89Å; F662-S676 PolarHBondContact N-O 2.8Å; E663-S676 PolarHBondContact N-OG 3Å; E663-S676 PolarHBondContact O-N 2.93Å
677	A	98.2	Very high	96.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.1	-166.2	0	0	0	0	0	114.5	V345 G660 I661 D679 G680 S681	V345-A677 PolarHBondContact N-O 2.76Å; G660-A677 CarbonylContact O-C 3.55Å; G660-A677 VanDerWaalsContact O-CA 3.25Å; G660-A677 WeakPolarHBondContact O-CA 3.34Å; I661-A677 HydrophobicContact CD1-CB 4.07Å; A677-D679 WeakPolarHBondContact CB-OD1 3.28Å; A677-D679 PolarHBondContact O-N 2.75Å; A677-G680 PolarHBondContact O-N 3.02Å; A677-S681 PolarHBondContact N-O 3.19Å; A677-S681 VanDerWaalsContact N-O 3.07Å
678	S	97.1	Very high	96.4	Very high	41 Å²	41	26.7 Å²	26.7	29%	0.287	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.9	178.8	70.4	0	0	0	0	114.9	G660	G660-S678 PolarHBondContact N-OG 2.71Å; G660-S678 PolarHBondContact O-N 3.45Å
679	D	96.1	Very high	95.6	Very high	61 Å²	61	35.5 Å²	35.5	33%	0.326	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	13.8	178.6	72.5	-17.9	0	0	0	113.7	T658 G659 A677 S681	T658-D679 VanDerWaalsContact CB-OD2 3.3Å; T658-D679 WeakPolarHBondContact CB-OD2 3.46Å; T658-D679 PolarHBondContact OG1-OD2 3.45Å; G659-D679 PolarHBondContact N-OD2 2.68Å; A677-D679 WeakPolarHBondContact CB-OD1 3.28Å; A677-D679 PolarHBondContact O-N 2.75Å; D679-S681 VanDerWaalsContact C-N 3.25Å; D679-S681 PolarHBondContact O-N 2.76Å; D679-S681 WeakPolarHBondContact OD1-CB 3.48Å; D679-S681 PolarHBondContact OD1-N 3.15Å; D679-S681 PolarHBondContact OD1-OG 3.28Å
680	G	95.6	Very high	95.7	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	15%	0.146	C	C	.	.	S	Bend	trans	77.7	3.8	-175.9	0	0	0	0	0	114.5	S343 A677	S343-G680 WeakPolarHBondContact O-CA 3.41Å; A677-G680 PolarHBondContact O-N 3.02Å
681	S	96.6	Very high	95.6	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.2	177.2	75.3	0	0	0	0	113.4	A677 D679	A677-S681 PolarHBondContact N-O 3.19Å; A677-S681 VanDerWaalsContact N-O 3.07Å; D679-S681 VanDerWaalsContact C-N 3.25Å; D679-S681 PolarHBondContact O-N 2.76Å; D679-S681 WeakPolarHBondContact OD1-CB 3.48Å; D679-S681 PolarHBondContact OD1-N 3.15Å; D679-S681 PolarHBondContact OD1-OG 3.28Å
682	V	97.7	Very high	95.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128	162.9	-179.6	0	0	0	0	107	L338 V345 L357 A675	L338-V682 WeakPolarHBondContact CA-O 3.42Å; L338-V682 HydrophobicContact CB-CB 4.18Å; L338-V682 WeakPolarHBondContact CB-O 3.34Å; L338-V682 HydrophobicContact CD1-CB 4.3Å; L338-V682 HydrophobicContact CD1-CG1 4.08Å; L338-V682 WeakPolarHBondContact CG-O 3.46Å; L338-V682 PolarHBondContact N-O 3.02Å; L338-V682 PolarHBondContact O-N 3.43Å; L338-V682 VanDerWaalsContact O-N 3.14Å; V345-V682 HydrophobicContact CB-CG2 4.26Å; V345-V682 HydrophobicContact CG1-CG2 3.73Å; V345-V682 HydrophobicContact CG2-CG2 4.22Å; L357-V682 HydrophobicContact CD2-CG1 3.66Å; A675-V682 CarbonylContact O-C 3.54Å; A675-V682 WeakPolarHBondContact O-CA 3.48Å
683	V	97.2	Very high	95.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.7	-173.9	-173	0	0	0	0	109.9	I335 V337 Y655 G674 A675 L685	I335-V683 HydrophobicContact CG2-CG1 3.78Å; V337-V683 HydrophobicContact CG1-CG2 4.49Å; V337-V683 HydrophobicContact CG2-CG1 4.47Å; V337-V683 HydrophobicContact CG2-CG2 4.4Å; Y655-V683 HydrophobicContact CD1-CG1 4.43Å; Y655-V683 HydrophobicContact CE1-CB 4.17Å; Y655-V683 HydrophobicContact CE1-CG1 3.78Å; Y655-V683 HydrophobicContact CE1-CG2 4.03Å; Y655-V683 HydrophobicContact CE2-CG1 4.4Å; G674-V683 CarbonylContact C-O 3.44Å; G674-V683 WeakPolarHBondContact CA-O 3.33Å; A675-V683 PolarHBondContact N-O 2.69Å; A675-V683 PolarHBondContact O-N 2.94Å; V683-L685 HydrophobicContact CG1-CD2 3.7Å; V683-L685 HydrophobicContact CG1-CG 4.26Å
684	V	97.2	Very high	95.3	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.03	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.2	173.7	174.4	0	0	0	0	109.2	T336 L338 W350 L357 L371 K672 V673	T336-V684 PolarHBondContact N-O 3.48Å; T336-V684 PolarHBondContact O-N 3.42Å; L338-V684 HydrophobicContact CD1-CG2 3.89Å; L338-V684 HydrophobicContact CG-CG2 4.48Å; W350-V684 HydrophobicContact CH2-CG1 3.88Å; W350-V684 HydrophobicContact CH2-CG2 4.2Å; W350-V684 HydrophobicContact CZ2-CG1 3.96Å; W350-V684 HydrophobicContact CZ2-CG2 4.13Å; L357-V684 HydrophobicContact CD2-CG2 3.71Å; L371-V684 HydrophobicContact CD1-CG2 3.82Å; K672-V684 HydrophobicContact CB-CG1 4.34Å; K672-V684 HydrophobicContact CD-CG1 3.83Å; K672-V684 HydrophobicContact CG-CG1 4.3Å; V673-V684 WeakPolarHBondContact O-CA 3.43Å
685	L	96.9	Very high	95.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.1	-174.4	-57.2	176.2	0	0	0	109.2	I330 I335 V641 Y655 K672 V673 V683	I330-L685 HydrophobicContact CD1-CB 3.94Å; I330-L685 HydrophobicContact CD1-CD1 4.04Å; I330-L685 HydrophobicContact CD1-CD2 4.21Å; I330-L685 HydrophobicContact CD1-CG 4.29Å; I335-L685 HydrophobicContact CG1-CD2 3.96Å; I335-L685 HydrophobicContact CG2-CD2 4.2Å; V641-L685 HydrophobicContact CB-CD1 3.95Å; V641-L685 HydrophobicContact CG1-CD1 3.84Å; V641-L685 HydrophobicContact CG2-CD1 4.37Å; Y655-L685 HydrophobicContact CD1-CD1 4.15Å; Y655-L685 HydrophobicContact CD1-CD2 3.94Å; Y655-L685 HydrophobicContact CD2-CD2 3.89Å; Y655-L685 HydrophobicContact CE1-CD2 4.5Å; Y655-L685 HydrophobicContact CE2-CD2 4.46Å; Y655-L685 HydrophobicContact CG-CD1 4.17Å; Y655-L685 HydrophobicContact CG-CD2 3.6Å; K672-L685 VanDerWaalsContact CA-O 3.28Å; K672-L685 WeakPolarHBondContact CA-O 3.39Å; V673-L685 HydrophobicContact CB-CB 4.38Å; V673-L685 PolarHBondContact N-O 3.39Å; V673-L685 PolarHBondContact O-N 3.49Å; V683-L685 HydrophobicContact CG1-CD2 3.7Å; V683-L685 HydrophobicContact CG1-CG 4.26Å
686	D	95	Very high	94.9	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.171	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118	177.5	-168.9	-16.6	0	0	0	110.9	R334 R688	R334-D686 HydrophobicContact CB-CB 4.07Å; R334-D686 PolarHBondContact O-N 2.88Å; D686-R688 WeakPolarHBondContact OD1-CB 3.41Å; D686-R688 WeakPolarHBondContact OD1-CG 3.49Å; D686-R688 IonicContact OD1-CZ 3.66Å; D686-R688 PolarHBondContact OD1-N 2.87Å; D686-R688 IonicContact OD1-NE 3.57Å; D686-R688 PolarHBondContact OD1-NE 2.67Å; D686-R688 IonicContact OD1-NH2 3.38Å; D686-R688 IonicContact OD2-CZ 3.6Å; D686-R688 VanDerWaalsContact OD2-CZ 3.24Å; D686-R688 IonicContact OD2-NE 2.67Å; D686-R688 PolarHBondContact OD2-NE 2.76Å; D686-R688 IonicContact OD2-NH2 2.96Å; D686-R688 PolarHBondContact OD2-NH2 3.49Å
687	L	94.5	Very high	94.6	Very high	31 Å²	31	42.5 Å²	42.5	16%	0.162	19%	0.192	C	C	.	.			trans	-97.9	1.6	-175.2	-58.2	179.3	0	0	0	112.9	I330 I643 N653 W666 D671 V673	I330-L687 HydrophobicContact CD1-CD2 3.63Å; I330-L687 HydrophobicContact CG1-CD2 4.38Å; I643-L687 HydrophobicContact CD1-CD1 4.36Å; I643-L687 HydrophobicContact CG1-CD1 4.22Å; I643-L687 HydrophobicContact CG1-CD2 4.21Å; I643-L687 HydrophobicContact CG2-CD1 4.27Å; N653-L687 HydrophobicContact CB-CD2 4.35Å; W666-L687 HydrophobicContact CE3-CD1 4.48Å; W666-L687 HydrophobicContact CH2-CD1 3.55Å; W666-L687 HydrophobicContact CZ3-CD1 3.49Å; W666-L687 VanDerWaalsContact CZ3-CD1 3.49Å; D671-L687 PolarHBondContact O-N 3.15Å; V673-L687 HydrophobicContact CG2-CD1 3.94Å
688	R	90.3	Very high	94.3	Very high	128 Å²	128	46 Å²	46	48%	0.483	21%	0.208	S	C	.	.			trans	-62.9	146.1	171	-59.8	176.7	-69.1	-177.6	5.4	109.4	R334 D671 D686	R334-R688 PolarHBondContact NH1-O 3.19Å; D671-R688 HydrophobicContact CB-CG 3.92Å; D686-R688 WeakPolarHBondContact OD1-CB 3.41Å; D686-R688 WeakPolarHBondContact OD1-CG 3.49Å; D686-R688 IonicContact OD1-CZ 3.66Å; D686-R688 PolarHBondContact OD1-N 2.87Å; D686-R688 IonicContact OD1-NE 3.57Å; D686-R688 PolarHBondContact OD1-NE 2.67Å; D686-R688 IonicContact OD1-NH2 3.38Å; D686-R688 IonicContact OD2-CZ 3.6Å; D686-R688 VanDerWaalsContact OD2-CZ 3.24Å; D686-R688 IonicContact OD2-NE 2.67Å; D686-R688 PolarHBondContact OD2-NE 2.76Å; D686-R688 IonicContact OD2-NH2 2.96Å; D686-R688 PolarHBondContact OD2-NH2 3.49Å
689	R	77.6	Confident	94.1	Very high	239 Å²	239	46.5 Å²	46.5	90%	0.902	20%	0.2	S	C	*	.			trans	-93.2	0	-164.9	-84.2	-166.4	171.5	-159.3	-1.4	115.5	R334	R334-R689 VanDerWaalsContact CZ-OXT 3.27Å; R334-R689 PolarHBondContact NH1-OXT 3.44Å; R334-R689 PolarHBondContact NH2-OXT 3.03Å

Retrieved 689 of 689 residues in 122.9 ms (Link to these results)

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