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Histone-binding protein RBBP7

Core histone-binding subunit that may target chromatin remodeling factors, histone acetyltransferases and histone deacetylases to their histone substrates in a manner that is regulated by nucleosomal DNA. Component of several complexes which regulate chromatin metabolism. These include the type B histone acetyltransferase (HAT) complex, which is required for chromatin assembly following DNA replication; the core histone deacetylase (HDAC) complex, which promotes histone deacetylation and consequent transcriptional repression; the nucleosome remodeling and histone deacetylase complex (the NuRD complex), which promotes transcriptional repression by histone deacetylation and nucleosome remodeling; and the PRC2/EED-EZH2 complex, which promotes repression of homeotic genes during development; and the NURF (nucleosome remodeling factor) complex (By similarity).

AlphaFold DB , UniProt , Accession Q4R304, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene RBBP7, Length 425 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	62.4	Low	80.3	Confident	190 Å²	190	105.7 Å²	105.7	94%	0.936	56%	0.558	S	S	*	*				0	-63.4	0	-78.8	170.8	176.5	0	0	109.2	S3 K4 E5	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.83Å; M1-S3 VanDerWaalsContact O-N 3.1Å; M1-K4 WeakPolarHBondContact O-CA 3.47Å; M1-K4 WeakPolarHBondContact O-CB 3.29Å; M1-K4 PolarHBondContact O-N 3.46Å; M1-E5 PolarHBondContact O-N 3.45Å
2	A	73.4	Confident	81.1	Confident	64 Å²	64	106.4 Å²	106.4	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-48	-42.2	175.4	0	0	0	0	0	115.6	K4 M6	A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.1Å; A2-M6 WeakPolarHBondContact O-CB 3.32Å; A2-M6 VanDerWaalsContact O-CG 3.23Å; A2-M6 WeakPolarHBondContact O-CG 3.42Å; A2-M6 PolarHBondContact O-N 2.99Å
3	S	79.4	Confident	82	Confident	100 Å²	100	107.7 Å²	107.7	70%	0.699	56%	0.557	S	S	*	*	H	α-helix	trans	-69.3	-22.8	177.9	66.1	0	0	0	0	114.6	M1 F7	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.83Å; M1-S3 VanDerWaalsContact O-N 3.1Å; S3-F7 WeakPolarHBondContact O-CB 3.36Å; S3-F7 PolarHBondContact O-N 3.35Å
4	K	79	Confident	82.8	Confident	125 Å²	125	111.7 Å²	111.7	54%	0.543	56%	0.561	S	S	.	*	H	α-helix	trans	-84	-45.3	177.7	-176.4	175.4	179.4	-67	0	109.8	M1 A2 F7 E8	M1-K4 WeakPolarHBondContact O-CA 3.47Å; M1-K4 WeakPolarHBondContact O-CB 3.29Å; M1-K4 PolarHBondContact O-N 3.46Å; A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.1Å; K4-F7 WeakPolarHBondContact O-CB 3.4Å; K4-F7 PolarHBondContact O-N 2.62Å; K4-F7 VanDerWaalsContact O-N 3.17Å; K4-E8 IonicContact NZ-OE1 2.62Å; K4-E8 PolarHBondContact NZ-OE1 2.68Å; K4-E8 IonicContact NZ-OE2 3.57Å; K4-E8 WeakPolarHBondContact O-CG 3.42Å; K4-E8 PolarHBondContact O-N 3Å
5	E	76.1	Confident	83.5	Confident	107 Å²	107	108.7 Å²	108.7	50%	0.5	55%	0.551	S	S	.	*	H	α-helix	trans	-57.9	-53.9	173.4	-72.2	157.8	-172	0	0	110.6	M1 F7 E8 D9	M1-E5 PolarHBondContact O-N 3.45Å; E5-F7 PolarHBondContact O-N 2.94Å; E5-F7 VanDerWaalsContact O-N 3.09Å; E5-E8 PolarHBondContact O-N 2.9Å; E5-D9 VanDerWaalsContact O-CG 3.23Å; E5-D9 PolarHBondContact O-N 3.06Å
6	M	78.7	Confident	84.2	Confident	129 Å²	129	103.4 Å²	103.4	64%	0.635	52%	0.524	S	S	*	.	H	α-helix	trans	-56.3	-34	176.2	-72.8	-178.5	71.3	0	0	113.3	A2 T10	A2-M6 WeakPolarHBondContact O-CB 3.32Å; A2-M6 VanDerWaalsContact O-CG 3.23Å; A2-M6 WeakPolarHBondContact O-CG 3.42Å; A2-M6 PolarHBondContact O-N 2.99Å; M6-T10 WeakPolarHBondContact O-CB 3.48Å; M6-T10 PolarHBondContact O-N 3.09Å; M6-T10 VanDerWaalsContact O-N 3.14Å; M6-T10 PolarHBondContact O-OG1 2.92Å
7	F	84.5	Confident	84.8	Confident	139 Å²	139	101.4 Å²	101.4	61%	0.61	52%	0.515	S	S	*	.	H	α-helix	trans	-72.7	-41.2	177.6	179.9	-94.4	0	0	0	111.6	S3 K4 E5 T10 V11	S3-F7 WeakPolarHBondContact O-CB 3.36Å; S3-F7 PolarHBondContact O-N 3.35Å; K4-F7 WeakPolarHBondContact O-CB 3.4Å; K4-F7 PolarHBondContact O-N 2.62Å; K4-F7 VanDerWaalsContact O-N 3.17Å; E5-F7 PolarHBondContact O-N 2.94Å; E5-F7 VanDerWaalsContact O-N 3.09Å; F7-T10 PolarHBondContact O-N 3.05Å; F7-V11 HydrophobicContact CD1-CG2 4.26Å; F7-V11 HydrophobicContact CE1-CG2 3.84Å; F7-V11 HydrophobicContact CE2-CG2 4.45Å; F7-V11 HydrophobicContact CZ-CG2 3.94Å; F7-V11 VanDerWaalsContact O-CG2 3.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.88Å
8	E	84.7	Confident	85.4	Confident	92 Å²	92	102.5 Å²	102.5	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-47.9	175.6	-74.5	169.1	169.2	0	0	110.5	K4 E5 T10 V11 E12	K4-E8 IonicContact NZ-OE1 2.62Å; K4-E8 PolarHBondContact NZ-OE1 2.68Å; K4-E8 IonicContact NZ-OE2 3.57Å; K4-E8 WeakPolarHBondContact O-CG 3.42Å; K4-E8 PolarHBondContact O-N 3Å; E5-E8 PolarHBondContact O-N 2.9Å; E8-T10 VanDerWaalsContact C-N 3.3Å; E8-T10 PolarHBondContact O-N 3.17Å; E8-V11 PolarHBondContact O-N 3.46Å; E8-V11 VanDerWaalsContact O-N 3.09Å; E8-E12 PolarHBondContact O-N 3.28Å
9	D	85.3	Confident	85.9	Confident	95 Å²	95	100.5 Å²	100.5	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-57.9	-42.5	176.4	-58.9	-18.2	0	0	0	111.6	E5 V11 E12 E13	E5-D9 VanDerWaalsContact O-CG 3.23Å; E5-D9 PolarHBondContact O-N 3.06Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 3.09Å; D9-E12 PolarHBondContact O-N 3.32Å; D9-E13 WeakPolarHBondContact O-CB 3.46Å; D9-E13 PolarHBondContact O-N 3.41Å
10	T	88.1	Confident	86.3	Confident	58 Å²	58	97.8 Å²	97.8	36%	0.356	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-35.5	179	-56	0	0	0	0	112.1	M6 F7 E8 R14	M6-T10 WeakPolarHBondContact O-CB 3.48Å; M6-T10 PolarHBondContact O-N 3.09Å; M6-T10 VanDerWaalsContact O-N 3.14Å; M6-T10 PolarHBondContact O-OG1 2.92Å; F7-T10 PolarHBondContact O-N 3.05Å; E8-T10 VanDerWaalsContact C-N 3.3Å; E8-T10 PolarHBondContact O-N 3.17Å; T10-R14 VanDerWaalsContact O-CG 3.29Å; T10-R14 WeakPolarHBondContact O-CG 3.47Å; T10-R14 PolarHBondContact O-N 3.41Å
11	V	92	Very high	86.7	Confident	64 Å²	64	99.9 Å²	99.9	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-71	-44.1	177.5	170	0	0	0	0	109.8	F7 E8 D9 R14 V15	F7-V11 HydrophobicContact CD1-CG2 4.26Å; F7-V11 HydrophobicContact CE1-CG2 3.84Å; F7-V11 HydrophobicContact CE2-CG2 4.45Å; F7-V11 HydrophobicContact CZ-CG2 3.94Å; F7-V11 VanDerWaalsContact O-CG2 3.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.88Å; E8-V11 PolarHBondContact O-N 3.46Å; E8-V11 VanDerWaalsContact O-N 3.09Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 3.09Å; V11-R14 WeakPolarHBondContact O-CB 3.38Å; V11-R14 PolarHBondContact O-N 3.14Å; V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.11Å; V11-V15 VanDerWaalsContact O-N 3.11Å
12	E	90.3	Very high	88.3	Confident	114 Å²	114	95.7 Å²	95.7	53%	0.533	48%	0.477	S	S	.	.	H	α-helix	trans	-58.8	-51.6	176	-175.4	170.6	-166.8	0	0	111	E8 D9 R14 V15 I16	E8-E12 PolarHBondContact O-N 3.28Å; D9-E12 PolarHBondContact O-N 3.32Å; E12-R14 PolarHBondContact O-N 2.9Å; E12-R14 VanDerWaalsContact O-N 3.12Å; E12-V15 WeakPolarHBondContact O-CB 3.38Å; E12-V15 PolarHBondContact O-N 2.97Å; E12-I16 HydrophobicContact CG-CD1 4.04Å; E12-I16 HydrophobicContact CG-CG1 4.35Å; E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.23Å; E12-I16 PolarHBondContact O-N 3.12Å
13	E	91.9	Very high	89.3	Confident	123 Å²	123	93.7 Å²	93.7	58%	0.575	46%	0.456	S	S	*	.	H	α-helix	trans	-56	-35.1	178.3	-170.1	-175.4	-179.7	0	0	112.5	D9 N17	D9-E13 WeakPolarHBondContact O-CB 3.46Å; D9-E13 PolarHBondContact O-N 3.41Å; E13-N17 WeakPolarHBondContact O-CB 3.45Å; E13-N17 PolarHBondContact O-N 2.97Å; E13-N17 PolarHBondContact O-ND2 3.32Å
14	R	93.3	Very high	90	Very high	164 Å²	164	93.5 Å²	93.5	62%	0.619	44%	0.442	S	S	*	.	H	α-helix	trans	-67.4	-44.8	174.8	-74.9	173.6	-176.9	-174.4	2.7	112.3	T10 V11 E12 I16 N17 E18	T10-R14 VanDerWaalsContact O-CG 3.29Å; T10-R14 WeakPolarHBondContact O-CG 3.47Å; T10-R14 PolarHBondContact O-N 3.41Å; V11-R14 WeakPolarHBondContact O-CB 3.38Å; V11-R14 PolarHBondContact O-N 3.14Å; E12-R14 PolarHBondContact O-N 2.9Å; E12-R14 VanDerWaalsContact O-N 3.12Å; R14-I16 VanDerWaalsContact C-N 3.35Å; R14-N17 PolarHBondContact O-N 3.45Å; R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.04Å
15	V	94.3	Very high	90.7	Very high	66 Å²	66	95.4 Å²	95.4	40%	0.4	45%	0.45	S	S	.	.	H	α-helix	trans	-61.2	-46.5	176.9	174.2	0	0	0	0	110	V11 E12 N17 E18 E19	V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.11Å; V11-V15 VanDerWaalsContact O-N 3.11Å; E12-V15 WeakPolarHBondContact O-CB 3.38Å; E12-V15 PolarHBondContact O-N 2.97Å; V15-N17 VanDerWaalsContact C-N 3.31Å; V15-N17 PolarHBondContact O-N 3.34Å; V15-E18 PolarHBondContact O-N 2.88Å; V15-E18 VanDerWaalsContact O-N 3.09Å; V15-E19 HydrophobicContact CG1-CG 4.31Å; V15-E19 WeakPolarHBondContact O-CG 3.22Å; V15-E19 PolarHBondContact O-N 3.25Å
16	I	94.3	Very high	91.6	Very high	25 Å²	25	93.3 Å²	93.3	13%	0.128	44%	0.442	C	S	.	.	H	α-helix	trans	-54.9	-47.8	176.5	-64.5	-174.3	0	0	0	111.1	E12 R14 E18 E19 Y20 T373	E12-I16 HydrophobicContact CG-CD1 4.04Å; E12-I16 HydrophobicContact CG-CG1 4.35Å; E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.23Å; E12-I16 PolarHBondContact O-N 3.12Å; R14-I16 VanDerWaalsContact C-N 3.35Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3Å; I16-E19 PolarHBondContact O-N 3.39Å; I16-Y20 WeakPolarHBondContact O-CB 3.49Å; I16-Y20 PolarHBondContact O-N 3.09Å; I16-T373 HydrophobicContact CG2-CG2 3.78Å
17	N	93.8	Very high	92.3	Very high	68 Å²	68	88 Å²	88	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-66.9	-32.2	179.4	-80.1	-52.5	0	0	0	113.2	E13 R14 V15 K21	E13-N17 WeakPolarHBondContact O-CB 3.45Å; E13-N17 PolarHBondContact O-N 2.97Å; E13-N17 PolarHBondContact O-ND2 3.32Å; R14-N17 PolarHBondContact O-N 3.45Å; V15-N17 VanDerWaalsContact C-N 3.31Å; V15-N17 PolarHBondContact O-N 3.34Å; N17-K21 WeakPolarHBondContact O-CD 3.38Å; N17-K21 VanDerWaalsContact O-CG 3.22Å; N17-K21 WeakPolarHBondContact O-CG 3.34Å; N17-K21 PolarHBondContact O-N 3.08Å
18	E	95.8	Very high	92.6	Very high	122 Å²	122	83.6 Å²	83.6	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-71.3	-47.2	175.1	-75.3	178.2	-178.4	0	0	111.6	R14 V15 I16 Y20 K21 I22	R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.04Å; V15-E18 PolarHBondContact O-N 2.88Å; V15-E18 VanDerWaalsContact O-N 3.09Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3Å; E18-Y20 VanDerWaalsContact C-N 3.31Å; E18-Y20 PolarHBondContact O-N 3.15Å; E18-K21 WeakPolarHBondContact O-CB 3.34Å; E18-K21 PolarHBondContact O-N 3.19Å; E18-I22 WeakPolarHBondContact O-CG1 3.16Å; E18-I22 PolarHBondContact O-N 2.91Å
19	E	95.2	Very high	92.9	Very high	65 Å²	65	86.3 Å²	86.3	30%	0.304	41%	0.413	S	S	.	.	H	α-helix	trans	-55.4	-46.5	173.2	-70.8	176.7	165.2	0	0	111.3	V15 I16 K21 I22 W23 R339 R340	V15-E19 HydrophobicContact CG1-CG 4.31Å; V15-E19 WeakPolarHBondContact O-CG 3.22Å; V15-E19 PolarHBondContact O-N 3.25Å; I16-E19 PolarHBondContact O-N 3.39Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 2.89Å; E19-I22 WeakPolarHBondContact O-CB 3.47Å; E19-I22 PolarHBondContact O-N 2.81Å; E19-I22 VanDerWaalsContact O-N 3.15Å; E19-W23 PolarHBondContact O-N 3.14Å; E19-R339 IonicContact OE1-NH2 2.94Å; E19-R339 IonicContact OE2-CZ 3.99Å; E19-R339 IonicContact OE2-NH1 3.75Å; E19-R339 PolarHBondContact OE2-NH1 3.09Å; E19-R339 VanDerWaalsContact OE2-NH1 3.14Å; E19-R339 IonicContact OE2-NH2 3.28Å; E19-R339 PolarHBondContact OE2-NH2 2.84Å; E19-R340 VanDerWaalsContact CD-NH2 3.35Å; E19-R340 IonicContact OE1-NH2 3.85Å; E19-R340 IonicContact OE2-CZ 3.44Å; E19-R340 IonicContact OE2-NH2 2.98Å; E19-R340 PolarHBondContact OE2-NH2 2.79Å
20	Y	94.2	Very high	93.3	Very high	46 Å²	46	84.6 Å²	84.6	18%	0.18	40%	0.404	C	S	.	.	H	α-helix	trans	-64.8	-35.4	-179.9	-176.3	-117.6	0	0	0	112.7	I16 E18 W23 K24 G371 T373	I16-Y20 WeakPolarHBondContact O-CB 3.49Å; I16-Y20 PolarHBondContact O-N 3.09Å; E18-Y20 VanDerWaalsContact C-N 3.31Å; E18-Y20 PolarHBondContact O-N 3.15Å; Y20-W23 AromaticContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CZ3 4.22Å; Y20-W23 AromaticContact CE2-CE3 3.53Å; Y20-W23 HydrophobicContact CE2-CE3 3.53Å; Y20-W23 AromaticContact CE2-CZ3 3.51Å; Y20-W23 HydrophobicContact CE2-CZ3 3.51Å; Y20-W23 PolarHBondContact O-N 2.8Å; Y20-K24 HydrophobicContact CD1-CD 4.3Å; Y20-K24 HydrophobicContact CE1-CD 3.88Å; Y20-K24 HydrophobicContact CE1-CG 4.41Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 WeakPolarHBondContact O-CG 3.49Å; Y20-K24 PolarHBondContact O-N 2.83Å; Y20-K24 WeakPolarHBondContact OH-CE 3.41Å; Y20-K24 PolarHBondContact OH-NZ 3.17Å; Y20-G371 WeakPolarHBondContact CE2-O 3.31Å; Y20-T373 HydrophobicContact CD1-CG2 4.18Å; Y20-T373 HydrophobicContact CD2-CG2 3.93Å; Y20-T373 HydrophobicContact CG-CG2 3.75Å
21	K	95	Very high	93.7	Very high	141 Å²	141	82.1 Å²	82.1	61%	0.613	39%	0.388	S	S	*	.	H	α-helix	trans	-66.2	-40.3	172.6	-75.4	167.6	-173.4	170.5	0	111.9	N17 E18 E19 K25	N17-K21 WeakPolarHBondContact O-CD 3.38Å; N17-K21 VanDerWaalsContact O-CG 3.22Å; N17-K21 WeakPolarHBondContact O-CG 3.34Å; N17-K21 PolarHBondContact O-N 3.08Å; E18-K21 WeakPolarHBondContact O-CB 3.34Å; E18-K21 PolarHBondContact O-N 3.19Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 2.89Å; K21-K25 PolarHBondContact O-N 3.11Å; K21-K25 VanDerWaalsContact O-N 3.09Å
22	I	94.9	Very high	93.7	Very high	103 Å²	103	82.9 Å²	82.9	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-47.5	175.9	-66.8	165.6	0	0	0	109.5	E18 E19 K24 K25 N26	E18-I22 WeakPolarHBondContact O-CG1 3.16Å; E18-I22 PolarHBondContact O-N 2.91Å; E19-I22 WeakPolarHBondContact O-CB 3.47Å; E19-I22 PolarHBondContact O-N 2.81Å; E19-I22 VanDerWaalsContact O-N 3.15Å; I22-K24 PolarHBondContact O-N 3.49Å; I22-K25 WeakPolarHBondContact O-CB 3.13Å; I22-K25 PolarHBondContact O-N 2.84Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.45Å; I22-N26 PolarHBondContact O-N 3.09Å; I22-N26 VanDerWaalsContact O-N 3.09Å; I22-N26 PolarHBondContact O-ND2 3.18Å; I22-N26 VanDerWaalsContact O-ND2 3.11Å
23	W	95.5	Very high	93.8	Very high	22 Å²	22	78 Å²	78	8%	0.083	37%	0.367	C	S	.	.	H	α-helix	trans	-54.7	-53	175.1	173.2	81.3	0	0	0	111.1	E19 Y20 K25 N26 T27 Y31 V34	E19-W23 PolarHBondContact O-N 3.14Å; Y20-W23 AromaticContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CZ3 4.22Å; Y20-W23 AromaticContact CE2-CE3 3.53Å; Y20-W23 HydrophobicContact CE2-CE3 3.53Å; Y20-W23 AromaticContact CE2-CZ3 3.51Å; Y20-W23 HydrophobicContact CE2-CZ3 3.51Å; Y20-W23 PolarHBondContact O-N 2.8Å; W23-K25 PolarHBondContact O-N 2.96Å; W23-N26 CarbonylContact O-C 3.5Å; W23-N26 PolarHBondContact O-N 3.19Å; W23-T27 PolarHBondContact O-N 3.47Å; W23-T27 PolarHBondContact O-OG1 3.47Å; W23-Y31 AromaticContact CE2-CE2 3.96Å; W23-Y31 HydrophobicContact CZ2-CE2 4.19Å; W23-Y31 AromaticContact NE1-CE2 3.31Å; W23-Y31 VanDerWaalsContact NE1-CE2 3.31Å; W23-Y31 AromaticContact NE1-CZ 3.44Å; W23-Y31 PolarHBondContact NE1-OH 2.95Å; W23-V34 HydrophobicContact CH2-CG1 4.04Å; W23-V34 HydrophobicContact CZ2-CG1 4.2Å
24	K	93.1	Very high	93.8	Very high	96 Å²	96	72.6 Å²	72.6	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-53.3	-40	177.3	-84.4	-174.3	165.9	171.1	0	113.5	Y20 I22 N26 T27	Y20-K24 HydrophobicContact CD1-CD 4.3Å; Y20-K24 HydrophobicContact CE1-CD 3.88Å; Y20-K24 HydrophobicContact CE1-CG 4.41Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 WeakPolarHBondContact O-CG 3.49Å; Y20-K24 PolarHBondContact O-N 2.83Å; Y20-K24 WeakPolarHBondContact OH-CE 3.41Å; Y20-K24 PolarHBondContact OH-NZ 3.17Å; I22-K24 PolarHBondContact O-N 3.49Å; K24-N26 VanDerWaalsContact C-N 3.33Å; K24-T27 WeakPolarHBondContact CA-OG1 3.45Å; K24-T27 PolarHBondContact O-OG1 3.4Å
25	K	94.5	Very high	93.8	Very high	164 Å²	164	65.1 Å²	65.1	71%	0.713	32%	0.315	S	S	*	.	H	α-helix	trans	-68.6	-34.2	179.2	-175.3	-175.8	173.8	-168.7	0	111.9	K21 I22 W23	K21-K25 PolarHBondContact O-N 3.11Å; K21-K25 VanDerWaalsContact O-N 3.09Å; I22-K25 WeakPolarHBondContact O-CB 3.13Å; I22-K25 PolarHBondContact O-N 2.84Å; W23-K25 PolarHBondContact O-N 2.96Å
26	N	94.2	Very high	93.8	Very high	63 Å²	63	65.3 Å²	65.3	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-91.5	-12.7	-178.7	-67.2	-47.8	0	0	0	113.5	I22 W23 K24 P28 F29 L30	I22-N26 WeakPolarHBondContact CG2-ND2 3.45Å; I22-N26 PolarHBondContact O-N 3.09Å; I22-N26 VanDerWaalsContact O-N 3.09Å; I22-N26 PolarHBondContact O-ND2 3.18Å; I22-N26 VanDerWaalsContact O-ND2 3.11Å; W23-N26 CarbonylContact O-C 3.5Å; W23-N26 PolarHBondContact O-N 3.19Å; K24-N26 VanDerWaalsContact C-N 3.33Å; N26-P28 VanDerWaalsContact C-N 3.28Å; N26-P28 VanDerWaalsContact O-N 3.13Å; N26-F29 PolarHBondContact O-N 2.96Å; N26-L30 HydrophobicContact CB-CD1 3.82Å; N26-L30 HydrophobicContact CB-CG 4.39Å; N26-L30 PolarHBondContact O-N 3.39Å
27	T	93.4	Very high	93.7	Very high	18 Å²	18	67 Å²	67	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-44.5	-44.8	178.7	-58	0	0	0	0	113.9	W23 K24 F29 L30 Y31 V34	W23-T27 PolarHBondContact O-N 3.47Å; W23-T27 PolarHBondContact O-OG1 3.47Å; K24-T27 WeakPolarHBondContact CA-OG1 3.45Å; K24-T27 PolarHBondContact O-OG1 3.4Å; T27-F29 PolarHBondContact O-N 3.45Å; T27-F29 VanDerWaalsContact O-N 3.09Å; T27-L30 PolarHBondContact O-N 3.34Å; T27-Y31 HydrophobicContact CG2-CD2 3.83Å; T27-Y31 HydrophobicContact CG2-CE2 4.47Å; T27-Y31 PolarHBondContact O-N 2.92Å; T27-V34 HydrophobicContact CG2-CB 4.21Å; T27-V34 HydrophobicContact CG2-CG2 3.72Å
28	P	90.3	Very high	93.7	Very high	46 Å²	46	67 Å²	67	30%	0.299	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-20.1	179.5	-27.3	38.4	0	0	0	115.9	N26 F107	N26-P28 VanDerWaalsContact C-N 3.28Å; N26-P28 VanDerWaalsContact O-N 3.13Å; P28-F107 HydrophobicContact CB-CD2 4.48Å; P28-F107 HydrophobicContact CB-CE1 4.45Å; P28-F107 HydrophobicContact CB-CE2 3.59Å; P28-F107 HydrophobicContact CB-CZ 3.58Å; P28-F107 HydrophobicContact CG-CD2 4.34Å; P28-F107 HydrophobicContact CG-CE2 3.61Å; P28-F107 HydrophobicContact CG-CZ 4.13Å
29	F	92.1	Very high	93.7	Very high	150 Å²	150	62.5 Å²	62.5	66%	0.658	31%	0.313	S	S	*	.	H	α-helix	trans	-102.5	-15.5	-177.8	-53.1	-75.8	0	0	0	112.8	N26 T27	N26-F29 PolarHBondContact O-N 2.96Å; T27-F29 PolarHBondContact O-N 3.45Å; T27-F29 VanDerWaalsContact O-N 3.09Å
30	L	94.1	Very high	93.6	Very high	59 Å²	59	65.3 Å²	65.3	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-108	-15.4	-170.3	-66.1	176.5	0	0	0	113.1	N26 T27 F367 A404 I407	N26-L30 HydrophobicContact CB-CD1 3.82Å; N26-L30 HydrophobicContact CB-CG 4.39Å; N26-L30 PolarHBondContact O-N 3.39Å; T27-L30 PolarHBondContact O-N 3.34Å; L30-F367 HydrophobicContact CB-CE2 4.16Å; L30-F367 HydrophobicContact CB-CZ 4.25Å; L30-F367 HydrophobicContact CD2-CE2 4.34Å; L30-A404 PolarHBondContact O-N 3.44Å; L30-I407 HydrophobicContact CD2-CD1 4.44Å
31	Y	94.7	Very high	93.6	Very high	5 Å²	5	66 Å²	66	2%	0.02	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.1	-172	-58.7	-89.2	0	0	0	112.1	W23 T27 V34 F367 H369 W401 Q402	W23-Y31 AromaticContact CE2-CE2 3.96Å; W23-Y31 HydrophobicContact CZ2-CE2 4.19Å; W23-Y31 AromaticContact NE1-CE2 3.31Å; W23-Y31 VanDerWaalsContact NE1-CE2 3.31Å; W23-Y31 AromaticContact NE1-CZ 3.44Å; W23-Y31 PolarHBondContact NE1-OH 2.95Å; T27-Y31 HydrophobicContact CG2-CD2 3.83Å; T27-Y31 HydrophobicContact CG2-CE2 4.47Å; T27-Y31 PolarHBondContact O-N 2.92Å; Y31-V34 HydrophobicContact CD1-CG2 3.63Å; Y31-V34 HydrophobicContact CD2-CG2 3.72Å; Y31-V34 HydrophobicContact CE1-CG2 4.38Å; Y31-V34 HydrophobicContact CE2-CG2 4.44Å; Y31-V34 HydrophobicContact CG-CG2 3.26Å; Y31-F367 HydrophobicContact CD1-CE1 4.45Å; Y31-F367 HydrophobicContact CD1-CZ 4.2Å; Y31-F367 AromaticContact CE1-CE1 3.55Å; Y31-F367 HydrophobicContact CE1-CE1 3.55Å; Y31-F367 AromaticContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE2-CZ 4.12Å; Y31-F367 AromaticContact CZ-CE1 3.77Å; Y31-F367 AromaticContact CZ-CZ 3.45Å; Y31-F367 VanDerWaalsContact CZ-CZ 3.45Å; Y31-F367 WeakPolarHBondContact OH-CZ 3.45Å; Y31-H369 AromaticContact CE1-ND1 3.56Å; Y31-H369 AromaticContact CZ-ND1 3.58Å; Y31-H369 PolarHBondContact OH-ND1 3.48Å; Y31-W401 HydrophobicContact CD1-CB 4.09Å; Y31-W401 HydrophobicContact CD1-CE3 4.07Å; Y31-W401 HydrophobicContact CE1-CB 4.26Å; Y31-W401 HydrophobicContact CE1-CD2 4.14Å; Y31-W401 AromaticContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CG 4.39Å; Y31-W401 HydrophobicContact CE1-CZ3 4.4Å; Y31-Q402 CarbonylContact C-O 3.56Å; Y31-Q402 WeakPolarHBondContact CA-O 3.36Å; Y31-Q402 WeakPolarHBondContact CB-O 3.08Å
32	D	92.4	Very high	93.7	Very high	80 Å²	80	60.1 Å²	60.1	43%	0.428	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-28	167.9	-67.8	-27.6	0	0	0	111.5	Q402 A404 E405	D32-Q402 PolarHBondContact N-O 3.24Å; D32-A404 WeakPolarHBondContact OD2-CA 3.34Å; D32-E405 PolarHBondContact OD2-N 3.37Å
33	L	92.3	Very high	93.8	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.6	176.6	179.2	66.9	0	0	0	109.6	M35 I85 P86 V388 I400 W401 Q402	L33-M35 HydrophobicContact CD1-CG 4.03Å; L33-M35 HydrophobicContact CD1-SD 4.15Å; L33-I85 HydrophobicContact CD2-CG2 4.06Å; L33-P86 HydrophobicContact CD1-CG 4.22Å; L33-V388 HydrophobicContact CD2-CG1 4.47Å; L33-V388 HydrophobicContact CD2-CG2 4.48Å; L33-I400 HydrophobicContact CD2-CG2 4.25Å; L33-W401 CarbonylContact O-C 3.47Å; L33-W401 WeakPolarHBondContact O-CA 3.18Å; L33-W401 WeakPolarHBondContact O-CB 3.31Å; L33-Q402 HydrophobicContact CB-CB 3.75Å; L33-Q402 PolarHBondContact N-O 2.93Å; L33-Q402 PolarHBondContact O-N 3.21Å
34	V	93.5	Very high	94	Very high	10 Å²	10	55.5 Å²	55.5	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	119.7	162.4	-176.3	0	0	0	0	109.6	W23 T27 Y31 I400 W401	W23-V34 HydrophobicContact CH2-CG1 4.04Å; W23-V34 HydrophobicContact CZ2-CG1 4.2Å; T27-V34 HydrophobicContact CG2-CB 4.21Å; T27-V34 HydrophobicContact CG2-CG2 3.72Å; Y31-V34 HydrophobicContact CD1-CG2 3.63Å; Y31-V34 HydrophobicContact CD2-CG2 3.72Å; Y31-V34 HydrophobicContact CE1-CG2 4.38Å; Y31-V34 HydrophobicContact CE2-CG2 4.44Å; Y31-V34 HydrophobicContact CG-CG2 3.26Å; V34-I400 CarbonylContact C-O 3.59Å; V34-I400 WeakPolarHBondContact CA-O 3.09Å; V34-W401 HydrophobicContact CG2-CB 4.23Å
35	M	92.5	Very high	94.2	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.1	171.4	-64	169.1	45.8	0	0	108.3	L33 V83 G112 I114 Q399 I400	L33-M35 HydrophobicContact CD1-CG 4.03Å; L33-M35 HydrophobicContact CD1-SD 4.15Å; M35-V83 HydrophobicContact CE-CG1 3.69Å; M35-G112 VanDerWaalsContact CE-C 3.41Å; M35-G112 WeakPolarHBondContact CE-O 3.45Å; M35-I114 HydrophobicContact CE-CD1 4.21Å; M35-I114 HydrophobicContact CE-CG1 4.43Å; M35-Q399 VanDerWaalsContact O-CA 3.27Å; M35-Q399 WeakPolarHBondContact O-CA 3.17Å; M35-I400 HydrophobicContact CB-CB 4.26Å; M35-I400 HydrophobicContact CE-CD1 4.18Å; M35-I400 PolarHBondContact N-O 3.35Å; M35-I400 PolarHBondContact O-N 2.87Å
36	T	93.2	Very high	94.4	Very high	69 Å²	69	43.1 Å²	43.1	42%	0.423	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.4	175.5	-54	0	0	0	0	109.3	I397 Q399	T36-I397 HydrophobicContact CG2-CG2 3.76Å; T36-Q399 HydrophobicContact CG2-CG 4.3Å
37	H	93.3	Very high	94.6	Very high	60 Å²	60	41.7 Å²	41.7	28%	0.278	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.3	179.7	-174	-75.8	0	0	0	110.7	L39 I114 M398	H37-L39 PolarHBondContact O-N 3.09Å; H37-I114 HydrophobicContact CB-CD1 3.31Å; H37-M398 HydrophobicContact CB-CE 4.43Å; H37-M398 PolarHBondContact N-O 2.74Å; H37-M398 PolarHBondContact O-N 3.26Å
38	A	94	Very high	94.9	Very high	70 Å²	70	40.9 Å²	40.9	58%	0.579	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	111.1	171.9	0	0	0	0	0	109.4	I397	A38-I397 HydrophobicContact CB-CD1 4.2Å
39	L	94.4	Very high	95.3	Very high	26 Å²	26	38.8 Å²	38.8	14%	0.136	20%	0.201	C	C	.	.			trans	-70.3	153.7	169.9	-59.8	172.5	0	0	0	109.6	H37 W41 L67 V392 N396 M398	H37-L39 PolarHBondContact O-N 3.09Å; L39-W41 WeakPolarHBondContact CB-O 3.47Å; L39-W41 PolarHBondContact O-N 2.92Å; L39-L67 HydrophobicContact CD2-CD1 4.29Å; L39-V392 HydrophobicContact CD1-CG1 4.47Å; L39-N396 HydrophobicContact CB-CB 4.46Å; L39-N396 WeakPolarHBondContact CB-O 3.46Å; L39-N396 PolarHBondContact N-O 2.92Å; L39-N396 WeakPolarHBondContact O-CB 3.37Å; L39-M398 HydrophobicContact CD1-CB 4.1Å; L39-M398 HydrophobicContact CD2-CB 4.46Å; L39-M398 HydrophobicContact CG-CB 4.13Å
40	Q	93.2	Very high	95.5	Very high	125 Å²	125	33.7 Å²	33.7	58%	0.584	18%	0.183	S	C	*	.	S	Bend	trans	-63.6	-37.1	174	-175.9	-178	-3	0	0	111.5	N396	Q40-N396 PolarHBondContact O-ND2 2.86Å
41	W	94.9	Very high	95.6	Very high	61 Å²	61	35.1 Å²	35.1	23%	0.231	19%	0.188	C	C	.	.	S	Bend	trans	-135.9	152.5	-179.1	-66.5	116.1	0	0	0	108.5	L39 T71 E74	L39-W41 WeakPolarHBondContact CB-O 3.47Å; L39-W41 PolarHBondContact O-N 2.92Å; W41-T71 HydrophobicContact CB-CG2 4.09Å; W41-T71 VanDerWaalsContact CD1-CG2 3.45Å; W41-T71 HydrophobicContact CD2-CG2 3.75Å; W41-T71 HydrophobicContact CE3-CG2 4.47Å; W41-T71 HydrophobicContact CG-CG2 3.5Å; W41-E74 HydrophobicContact CZ2-CB 4.46Å; W41-E74 HydrophobicContact CZ2-CG 3.86Å; W41-E74 WeakPolarHBondContact CZ2-OE2 3.4Å; W41-E74 PolarHBondContact NE1-OE2 3.37Å
42	P	96.7	Very high	95.6	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.104	20%	0.199	C	C	.	.			trans	-64.8	154	177.2	27.4	-29.7	0	0	0	110.5	H70 N396	P42-H70 VanDerWaalsContact CD-O 3.27Å; P42-H70 WeakPolarHBondContact CD-O 3.5Å; P42-H70 HydrophobicContact CG-CB 4.29Å; P42-H70 WeakPolarHBondContact CG-O 3.39Å; P42-H70 PolarHBondContact O-N 2.77Å; P42-N396 WeakPolarHBondContact CB-OD1 3.46Å; P42-N396 WeakPolarHBondContact CD-OD1 3.36Å
43	S	98.1	Very high	95.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	20%	0.196	C	C	.	.			trans	-114.4	127.4	174.2	-168.5	0	0	0	0	109.2	T45 G68 V392	S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact OG-N 3.32Å; S43-T45 PolarHBondContact OG-O 3.35Å; S43-G68 VanDerWaalsContact CA-O 3.28Å; S43-G68 WeakPolarHBondContact CA-O 3.19Å; S43-G68 WeakPolarHBondContact CB-O 3.47Å; S43-G68 PolarHBondContact OG-N 3.48Å; S43-G68 VanDerWaalsContact OG-N 3.09Å; S43-G68 PolarHBondContact OG-O 3.24Å; S43-V392 WeakPolarHBondContact O-CG2 3.2Å
44	L	98.2	Very high	95.8	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.141	22%	0.222	C	C	.	.	S	Bend	trans	-83	-9.3	173.1	-62.4	176	0	0	0	112.4	H70 E125	L44-H70 HydrophobicContact CD1-CB 4.05Å; L44-H70 HydrophobicContact CG-CB 3.92Å; L44-E125 HydrophobicContact CD1-CB 4.49Å; L44-E125 HydrophobicContact CD1-CG 4.23Å
45	T	98.6	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.			trans	-142.1	144.8	-173.8	-174	0	0	0	0	111.2	S43 V126 A129 R130 D378	S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact OG-N 3.32Å; S43-T45 PolarHBondContact OG-O 3.35Å; T45-V126 HydrophobicContact CG2-CG1 3.95Å; T45-A129 HydrophobicContact CG2-CB 3.82Å; T45-A129 PolarHBondContact OG1-N 2.86Å; T45-A129 PolarHBondContact OG1-O 3.12Å; T45-R130 PolarHBondContact OG1-NH1 2.62Å; T45-D378 VanDerWaalsContact CA-OD2 3.29Å; T45-D378 WeakPolarHBondContact CA-OD2 3.4Å; T45-D378 PolarHBondContact OG1-OD2 3.29Å
46	V	98.6	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.8	168.7	65.6	0	0	0	0	110	L65 V66 L67 D378 C390 V392	V46-L65 HydrophobicContact CG2-CD2 3.81Å; V46-V66 WeakPolarHBondContact CA-O 3.4Å; V46-L67 HydrophobicContact CB-CD2 3.81Å; V46-L67 HydrophobicContact CG2-CD2 3.55Å; V46-D378 HydrophobicContact CG1-CB 4.11Å; V46-D378 PolarHBondContact N-OD2 3.26Å; V46-C390 HydrophobicContact CG2-CB 4.24Å; V46-V392 HydrophobicContact CB-CG1 3.99Å; V46-V392 HydrophobicContact CB-CG2 4Å; V46-V392 HydrophobicContact CG1-CG1 4.27Å; V46-V392 HydrophobicContact CG1-CG2 3.86Å; V46-V392 HydrophobicContact CG2-CG1 4.34Å
47	Q	98.7	Very high	95.4	Very high	33 Å²	33	53.1 Å²	53.1	15%	0.154	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	131.3	172.3	-163.2	-177.1	28.9	0	0	110.6	L65 V66 Y131	Q47-L65 CarbonylContact O-C 3.59Å; Q47-L65 WeakPolarHBondContact O-CA 3.31Å; Q47-V66 PolarHBondContact N-O 3.13Å; Q47-V66 PolarHBondContact O-N 3.09Å; Q47-Y131 VanDerWaalsContact CD-CE1 3.46Å; Q47-Y131 HydrophobicContact CG-CD1 4.09Å; Q47-Y131 HydrophobicContact CG-CE1 4.02Å
48	W	98.6	Very high	95.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	134.7	168.1	-71	102	0	0	0	111.1	H63 L65 V83 I85 Y131 S380 N382 P383 V388 C390 I400	W48-H63 HydrophobicContact CE3-CB 3.95Å; W48-H63 HydrophobicContact CH2-CB 4.35Å; W48-H63 HydrophobicContact CZ3-CB 3.42Å; W48-H63 VanDerWaalsContact CZ3-CB 3.42Å; W48-L65 HydrophobicContact CB-CD2 4.42Å; W48-L65 HydrophobicContact CD2-CD2 3.39Å; W48-L65 HydrophobicContact CD2-CG 4.2Å; W48-L65 HydrophobicContact CE3-CD2 3.48Å; W48-L65 VanDerWaalsContact CE3-CD2 3.48Å; W48-L65 HydrophobicContact CE3-CG 3.76Å; W48-L65 HydrophobicContact CG-CD2 3.8Å; W48-L65 HydrophobicContact CH2-CD1 4.32Å; W48-L65 HydrophobicContact CH2-CD2 4.24Å; W48-L65 HydrophobicContact CH2-CG 4.24Å; W48-L65 HydrophobicContact CZ2-CD2 4.2Å; W48-L65 HydrophobicContact CZ3-CD1 4.28Å; W48-L65 HydrophobicContact CZ3-CD2 3.88Å; W48-L65 HydrophobicContact CZ3-CG 3.76Å; W48-V83 HydrophobicContact CH2-CB 4.3Å; W48-V83 HydrophobicContact CH2-CG1 4.25Å; W48-V83 HydrophobicContact CH2-CG2 4.15Å; W48-V83 HydrophobicContact CZ3-CB 4.19Å; W48-V83 HydrophobicContact CZ3-CG2 3.99Å; W48-I85 HydrophobicContact CH2-CD1 3.72Å; W48-I85 HydrophobicContact CZ2-CD1 4.42Å; W48-I85 HydrophobicContact CZ3-CD1 4.2Å; W48-Y131 WeakPolarHBondContact O-CE1 3.49Å; W48-S380 VanDerWaalsContact CD1-O 3.22Å; W48-S380 PolarHBondContact N-OG 3.47Å; W48-S380 PolarHBondContact NE1-O 3.01Å; W48-S380 VanDerWaalsContact NE1-O 3.16Å; W48-N382 VanDerWaalsContact CD1-CA 3.47Å; W48-N382 HydrophobicContact CD2-CB 4.2Å; W48-N382 HydrophobicContact CG-CB 4.2Å; W48-P383 VanDerWaalsContact CB-CD 3.41Å; W48-P383 HydrophobicContact CB-CG 4.29Å; W48-V388 HydrophobicContact CZ2-CG1 4.31Å; W48-C390 HydrophobicContact CZ2-CB 3.71Å; W48-C390 VanDerWaalsContact NE1-CB 3.32Å; W48-I400 HydrophobicContact CH2-CD1 3.79Å; W48-I400 HydrophobicContact CH2-CG1 4.19Å; W48-I400 HydrophobicContact CH2-CG2 4.22Å; W48-I400 HydrophobicContact CZ2-CD1 4.11Å; W48-I400 HydrophobicContact CZ2-CG1 3.99Å; W48-I400 HydrophobicContact CZ2-CG2 3.89Å
49	L	98.2	Very high	94.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	148.6	165.2	-69.3	173.4	0	0	0	109.4	E51 W64 V66 V80 Y131 P136 Y153	L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 3.4Å; L49-W64 HydrophobicContact CB-CB 3.89Å; L49-W64 HydrophobicContact CD1-CB 3.93Å; L49-W64 HydrophobicContact CG-CB 4.39Å; L49-W64 PolarHBondContact N-O 3.19Å; L49-V66 HydrophobicContact CD1-CG2 3.97Å; L49-V66 HydrophobicContact CD2-CG2 3.75Å; L49-V66 HydrophobicContact CG-CG2 3.79Å; L49-V80 HydrophobicContact CD1-CG1 3.96Å; L49-Y131 HydrophobicContact CD2-CD1 3.69Å; L49-Y131 HydrophobicContact CD2-CG 3.81Å; L49-P136 HydrophobicContact CD2-CB 4.24Å; L49-Y153 HydrophobicContact CD1-CE1 4.21Å
50	P	97.2	Very high	94.8	Very high	43 Å²	43	55.4 Å²	55.4	28%	0.279	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-14.6	-175.4	30.2	-36.1	0	0	0	113.5	Y131 P136 N384	P50-Y131 HydrophobicContact CG-CE2 4.21Å; P50-P136 HydrophobicContact CG-CB 3.93Å; P50-P136 HydrophobicContact CG-CG 3.47Å; P50-P136 VanDerWaalsContact CG-CG 3.47Å; P50-N384 PolarHBondContact O-ND2 3Å; P50-N384 PolarHBondContact O-OD1 3.15Å
51	E	95.2	Very high	94.8	Very high	89 Å²	89	49.5 Å²	49.5	42%	0.416	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.7	-179.2	-172.7	179.6	161.6	0	0	111.9	L49	L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 3.4Å
52	V	96	Very high	94.8	Very high	40 Å²	40	47.6 Å²	47.6	24%	0.242	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.3	173	-178.1	0	0	0	0	109.5	K54 A61 L62 H63 N384	V52-K54 HydrophobicContact CG1-CG 4.2Å; V52-A61 HydrophobicContact CG1-CB 4.01Å; V52-L62 WeakPolarHBondContact CA-O 3.32Å; V52-H63 VanDerWaalsContact CG2-CE1 3.43Å; V52-H63 WeakPolarHBondContact CG2-CE1 3.32Å; V52-H63 WeakPolarHBondContact CG2-ND1 3.38Å; V52-N384 HydrophobicContact CG2-CB 3.67Å; V52-N384 VanDerWaalsContact CG2-ND2 3.28Å; V52-N384 WeakPolarHBondContact CG2-ND2 3.27Å
53	T	95.4	Very high	94.8	Very high	60 Å²	60	46.9 Å²	46.9	37%	0.368	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.7	171.7	-61.4	0	0	0	0	109.4	P55 L62	T53-P55 WeakPolarHBondContact O-CD 3.1Å; T53-L62 HydrophobicContact CG2-CD1 4.42Å; T53-L62 PolarHBondContact N-O 3.47Å; T53-L62 WeakPolarHBondContact O-CB 3.44Å; T53-L62 PolarHBondContact O-N 3.32Å
54	K	92.9	Very high	94.8	Very high	138 Å²	138	48.9 Å²	48.9	60%	0.6	26%	0.262	S	S	*	.			trans	-110.2	94.9	175.8	-61.1	-170.6	179.2	-167	0	109.3	V52 A61 E385	V52-K54 HydrophobicContact CG1-CG 4.2Å; K54-A61 HydrophobicContact CG-CB 4.04Å; K54-E385 IonicContact NZ-OE1 3.62Å
55	P	90.9	Very high	94.8	Very high	39 Å²	39	47.6 Å²	47.6	25%	0.253	26%	0.255	S	S	.	.			trans	-66.6	134.9	-179.4	-16.8	31.1	0	0	0	111.2	T53 G57 K58 Y60 L62	T53-P55 WeakPolarHBondContact O-CD 3.1Å; P55-G57 PolarHBondContact O-N 3.15Å; P55-K58 HydrophobicContact CB-CB 4.22Å; P55-K58 HydrophobicContact CB-CG 3.78Å; P55-K58 HydrophobicContact CG-CG 4.43Å; P55-K58 PolarHBondContact O-N 3.32Å; P55-Y60 HydrophobicContact CG-CE2 4.15Å; P55-L62 HydrophobicContact CG-CD1 4.02Å; P55-L62 HydrophobicContact CG-CG 4.33Å
56	E	90.4	Very high	94.8	Very high	197 Å²	197	47.6 Å²	47.6	92%	0.921	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	132.4	-178.9	-67.8	-177	173.8	0	0	112.3	K58	E56-K58 VanDerWaalsContact C-N 3.26Å; E56-K58 PolarHBondContact O-N 3.39Å
57	G	88.8	Confident	94.8	Very high	86 Å²	86	47.9 Å²	47.9	89%	0.887	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	16.5	177.5	0	0	0	0	0	114.7	P55	P55-G57 PolarHBondContact O-N 3.15Å
58	K	89.4	Confident	94.7	Very high	98 Å²	98	46.4 Å²	46.4	43%	0.426	25%	0.251	S	S	.	.			trans	-103.6	145.3	171.7	-63.7	-57.1	-170.5	177.4	0	110.9	P55 E56 Y60 N87	P55-K58 HydrophobicContact CB-CB 4.22Å; P55-K58 HydrophobicContact CB-CG 3.78Å; P55-K58 HydrophobicContact CG-CG 4.43Å; P55-K58 PolarHBondContact O-N 3.32Å; E56-K58 VanDerWaalsContact C-N 3.26Å; E56-K58 PolarHBondContact O-N 3.39Å; K58-Y60 HydrophobicContact CB-CD1 4.04Å; K58-Y60 HydrophobicContact CB-CE1 3.81Å; K58-Y60 HydrophobicContact CB-CE2 4.44Å; K58-Y60 HydrophobicContact CB-CG 4.45Å; K58-Y60 HydrophobicContact CD-CE1 3.91Å; K58-Y60 HydrophobicContact CG-CE1 3.97Å; K58-Y60 PolarHBondContact O-N 3.09Å; K58-N87 PolarHBondContact O-ND2 3.07Å
59	D	89.4	Confident	94.7	Very high	60 Å²	60	47 Å²	47	32%	0.321	26%	0.255	S	S	.	.	S	Bend	trans	-82.6	19.9	176.1	56.2	-16.8	0	0	0	113.1	P86 N87 A90	D59-P86 WeakPolarHBondContact O-CA 3.36Å; D59-N87 VanDerWaalsContact C-CG 3.42Å; D59-N87 WeakPolarHBondContact CA-OD1 3.27Å; D59-N87 PolarHBondContact O-N 3.42Å; D59-N87 VanDerWaalsContact O-N 3.12Å; D59-N87 PolarHBondContact O-OD1 2.6Å; D59-A90 HydrophobicContact CB-CB 4.02Å
60	Y	91.2	Very high	94.6	Very high	46 Å²	46	50.4 Å²	50.4	18%	0.18	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	153.5	179.9	62.8	-97.1	0	0	0	112.3	P55 K58 L62 H84 I85 N87	P55-Y60 HydrophobicContact CG-CE2 4.15Å; K58-Y60 HydrophobicContact CB-CD1 4.04Å; K58-Y60 HydrophobicContact CB-CE1 3.81Å; K58-Y60 HydrophobicContact CB-CE2 4.44Å; K58-Y60 HydrophobicContact CB-CG 4.45Å; K58-Y60 HydrophobicContact CD-CE1 3.91Å; K58-Y60 HydrophobicContact CG-CE1 3.97Å; K58-Y60 PolarHBondContact O-N 3.09Å; Y60-L62 HydrophobicContact CD2-CD2 3.86Å; Y60-L62 HydrophobicContact CD2-CG 4.24Å; Y60-L62 HydrophobicContact CE2-CD2 3.62Å; Y60-L62 HydrophobicContact CE2-CG 3.99Å; Y60-H84 HydrophobicContact CD2-CB 4.29Å; Y60-H84 AromaticContact CD2-CD2 3.57Å; Y60-H84 AromaticContact CE2-CD2 3.41Å; Y60-H84 VanDerWaalsContact CE2-CD2 3.41Å; Y60-H84 WeakPolarHBondContact CE2-CD2 3.36Å; Y60-H84 HydrophobicContact CG-CB 4.42Å; Y60-H84 AromaticContact CZ-CD2 3.81Å; Y60-I85 CarbonylContact C-O 3.59Å; Y60-I85 WeakPolarHBondContact CA-O 3.47Å; Y60-I85 VanDerWaalsContact CB-O 3.3Å; Y60-I85 WeakPolarHBondContact CB-O 3.27Å; Y60-N87 PolarHBondContact N-ND2 3.42Å
61	A	93.2	Very high	94.4	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.6	165	0	0	0	0	0	110.4	V52 K54 H63 I85	V52-A61 HydrophobicContact CG1-CB 4.01Å; K54-A61 HydrophobicContact CG-CB 4.04Å; A61-H63 WeakPolarHBondContact CB-NE2 3.43Å; A61-I85 PolarHBondContact N-O 3.33Å; A61-I85 PolarHBondContact O-N 2.84Å
62	L	94.9	Very high	94	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.1	175.7	-62.1	174.7	0	0	0	109.1	V52 T53 P55 Y60 R82 V83 H84	V52-L62 WeakPolarHBondContact CA-O 3.32Å; T53-L62 HydrophobicContact CG2-CD1 4.42Å; T53-L62 PolarHBondContact N-O 3.47Å; T53-L62 WeakPolarHBondContact O-CB 3.44Å; T53-L62 PolarHBondContact O-N 3.32Å; P55-L62 HydrophobicContact CG-CD1 4.02Å; P55-L62 HydrophobicContact CG-CG 4.33Å; Y60-L62 HydrophobicContact CD2-CD2 3.86Å; Y60-L62 HydrophobicContact CD2-CG 4.24Å; Y60-L62 HydrophobicContact CE2-CD2 3.62Å; Y60-L62 HydrophobicContact CE2-CG 3.99Å; L62-R82 HydrophobicContact CB-CG 4.37Å; L62-R82 HydrophobicContact CD2-CG 4.13Å; L62-V83 WeakPolarHBondContact CA-O 3.43Å; L62-H84 VanDerWaalsContact CD2-CD2 3.45Å; L62-H84 WeakPolarHBondContact CD2-CD2 3.1Å; L62-H84 WeakPolarHBondContact CD2-NE2 3.42Å
63	H	97	Very high	93.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	163.4	174.2	-66	-109.4	0	0	0	109.7	W48 V52 A61 R82 V83 I85 N382 E385	W48-H63 HydrophobicContact CE3-CB 3.95Å; W48-H63 HydrophobicContact CH2-CB 4.35Å; W48-H63 HydrophobicContact CZ3-CB 3.42Å; W48-H63 VanDerWaalsContact CZ3-CB 3.42Å; V52-H63 VanDerWaalsContact CG2-CE1 3.43Å; V52-H63 WeakPolarHBondContact CG2-CE1 3.32Å; V52-H63 WeakPolarHBondContact CG2-ND1 3.38Å; A61-H63 WeakPolarHBondContact CB-NE2 3.43Å; H63-R82 CarbonylContact O-C 3.55Å; H63-R82 WeakPolarHBondContact O-CA 3.48Å; H63-V83 HydrophobicContact CB-CB 4.48Å; H63-V83 PolarHBondContact N-O 2.95Å; H63-V83 PolarHBondContact O-N 2.9Å; H63-I85 HydrophobicContact CB-CD1 4.06Å; H63-I85 HydrophobicContact CB-CG1 4.43Å; H63-N382 PolarHBondContact ND1-ND2 3.3Å; H63-E385 IonicContact CE1-OE1 2.86Å
64	W	97.7	Very high	93.5	Very high	43 Å²	43	57.5 Å²	57.5	16%	0.163	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143	-176.5	-64.9	86.6	0	0	0	111.4	L49 V80 A81 R82 E117	L49-W64 HydrophobicContact CB-CB 3.89Å; L49-W64 HydrophobicContact CD1-CB 3.93Å; L49-W64 HydrophobicContact CG-CB 4.39Å; L49-W64 PolarHBondContact N-O 3.19Å; W64-V80 HydrophobicContact CE3-CG1 3.81Å; W64-V80 HydrophobicContact CZ3-CG1 4.23Å; W64-A81 CarbonylContact C-O 3.56Å; W64-A81 WeakPolarHBondContact CA-O 3.21Å; W64-R82 HydrophobicContact CD2-CB 4.4Å; W64-R82 HydrophobicContact CE3-CB 4.15Å; W64-R82 HydrophobicContact CH2-CB 4.5Å; W64-R82 HydrophobicContact CZ3-CB 4.23Å; W64-E117 HydrophobicContact CH2-CB 4.26Å; W64-E117 HydrophobicContact CH2-CG 3.95Å; W64-E117 HydrophobicContact CZ3-CB 3.73Å; W64-E117 HydrophobicContact CZ3-CG 3.69Å
65	L	98.1	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.2	179.1	-75.4	171.5	0	0	0	110.1	V46 Q47 W48 L67 V80 A81 V83 C390 M398 I400	V46-L65 HydrophobicContact CG2-CD2 3.81Å; Q47-L65 CarbonylContact O-C 3.59Å; Q47-L65 WeakPolarHBondContact O-CA 3.31Å; W48-L65 HydrophobicContact CB-CD2 4.42Å; W48-L65 HydrophobicContact CD2-CD2 3.39Å; W48-L65 HydrophobicContact CD2-CG 4.2Å; W48-L65 HydrophobicContact CE3-CD2 3.48Å; W48-L65 VanDerWaalsContact CE3-CD2 3.48Å; W48-L65 HydrophobicContact CE3-CG 3.76Å; W48-L65 HydrophobicContact CG-CD2 3.8Å; W48-L65 HydrophobicContact CH2-CD1 4.32Å; W48-L65 HydrophobicContact CH2-CD2 4.24Å; W48-L65 HydrophobicContact CH2-CG 4.24Å; W48-L65 HydrophobicContact CZ2-CD2 4.2Å; W48-L65 HydrophobicContact CZ3-CD1 4.28Å; W48-L65 HydrophobicContact CZ3-CD2 3.88Å; W48-L65 HydrophobicContact CZ3-CG 3.76Å; L65-L67 HydrophobicContact CB-CG 4.48Å; L65-V80 CarbonylContact O-C 3.55Å; L65-V80 WeakPolarHBondContact O-CA 3.21Å; L65-A81 PolarHBondContact N-O 3.37Å; L65-A81 PolarHBondContact O-N 2.86Å; L65-V83 HydrophobicContact CD1-CG2 3.5Å; L65-V83 VanDerWaalsContact CD1-CG2 3.5Å; L65-V83 HydrophobicContact CG-CG2 3.93Å; L65-C390 HydrophobicContact CD2-CB 4.15Å; L65-M398 HydrophobicContact CD1-CE 4.04Å; L65-M398 HydrophobicContact CD1-SD 3.83Å; L65-I400 HydrophobicContact CD1-CD1 4.26Å
66	V	98.4	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.6	160.7	-177.3	0	0	0	0	108.1	V46 Q47 L49 L78 V79 A129 I139	V46-V66 WeakPolarHBondContact CA-O 3.4Å; Q47-V66 PolarHBondContact N-O 3.13Å; Q47-V66 PolarHBondContact O-N 3.09Å; L49-V66 HydrophobicContact CD1-CG2 3.97Å; L49-V66 HydrophobicContact CD2-CG2 3.75Å; L49-V66 HydrophobicContact CG-CG2 3.79Å; V66-L78 HydrophobicContact CG1-CD1 3.65Å; V66-V79 WeakPolarHBondContact CA-O 3.39Å; V66-A129 HydrophobicContact CG1-CB 3.67Å; V66-I139 HydrophobicContact CB-CD1 4.43Å; V66-I139 HydrophobicContact CG1-CD1 3.96Å; V66-I139 HydrophobicContact CG1-CG2 4.19Å; V66-I139 HydrophobicContact CG2-CD1 3.52Å; V66-I139 HydrophobicContact CG2-CG1 4.29Å
67	L	98.3	Very high	94.2	Very high	6 Å²	6	45 Å²	45	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	162.6	178	-67.8	167.4	0	0	0	109.6	L39 V46 L65 V79 A81 V392 M398	L39-L67 HydrophobicContact CD2-CD1 4.29Å; V46-L67 HydrophobicContact CB-CD2 3.81Å; V46-L67 HydrophobicContact CG2-CD2 3.55Å; L65-L67 HydrophobicContact CB-CG 4.48Å; L67-V79 HydrophobicContact CB-CB 4.17Å; L67-V79 PolarHBondContact N-O 2.93Å; L67-V79 PolarHBondContact O-N 3.36Å; L67-A81 HydrophobicContact CD1-CB 4.19Å; L67-V392 HydrophobicContact CD2-CG1 3.94Å; L67-M398 HydrophobicContact CD1-SD 3.95Å; L67-M398 HydrophobicContact CD2-SD 4.03Å
68	G	98	Very high	94.7	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.5	172.4	0	0	0	0	0	110.6	S43	S43-G68 VanDerWaalsContact CA-O 3.28Å; S43-G68 WeakPolarHBondContact CA-O 3.19Å; S43-G68 WeakPolarHBondContact CB-O 3.47Å; S43-G68 PolarHBondContact OG-N 3.48Å; S43-G68 VanDerWaalsContact OG-N 3.09Å; S43-G68 PolarHBondContact OG-O 3.24Å
69	T	97.3	Very high	95.1	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.092	19%	0.189	C	C	.	.			trans	-100.8	147.2	165	65.9	0	0	0	0	110.3	N76 H77 V79 E125 V126	T69-N76 VanDerWaalsContact C-OD1 3.22Å; T69-N76 PolarHBondContact O-OD1 3.46Å; T69-N76 WeakPolarHBondContact OG1-CA 3.17Å; T69-N76 WeakPolarHBondContact OG1-CB 3.38Å; T69-N76 PolarHBondContact OG1-OD1 3.06Å; T69-H77 HydrophobicContact CG2-CB 4.27Å; T69-H77 PolarHBondContact N-O 3.29Å; T69-H77 VanDerWaalsContact N-O 3.08Å; T69-H77 PolarHBondContact OG1-N 2.61Å; T69-V79 HydrophobicContact CG2-CG2 4.13Å; T69-E125 WeakPolarHBondContact O-CA 3.11Å; T69-V126 PolarHBondContact O-N 3.11Å
70	H	96	Very high	95.5	Very high	72 Å²	72	33.7 Å²	33.7	33%	0.333	17%	0.174	S	C	.	.			trans	-126	88.9	165.1	176.7	-163.8	0	0	0	108.3	P42 L44 E125	P42-H70 VanDerWaalsContact CD-O 3.27Å; P42-H70 WeakPolarHBondContact CD-O 3.5Å; P42-H70 HydrophobicContact CG-CB 4.29Å; P42-H70 WeakPolarHBondContact CG-O 3.39Å; P42-H70 PolarHBondContact O-N 2.77Å; L44-H70 HydrophobicContact CD1-CB 4.05Å; L44-H70 HydrophobicContact CG-CB 3.92Å; H70-E125 HydrophobicContact CB-CB 3.96Å
71	T	94.5	Very high	95.7	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	17%	0.166	C	C	.	.			trans	-93.3	159.3	-176.8	82.1	0	0	0	0	112.1	W41 E74 N76	W41-T71 HydrophobicContact CB-CG2 4.09Å; W41-T71 VanDerWaalsContact CD1-CG2 3.45Å; W41-T71 HydrophobicContact CD2-CG2 3.75Å; W41-T71 HydrophobicContact CE3-CG2 4.47Å; W41-T71 HydrophobicContact CG-CG2 3.5Å; T71-E74 HydrophobicContact CG2-CB 4.1Å; T71-E74 WeakPolarHBondContact OG1-CA 3.18Å; T71-E74 PolarHBondContact OG1-N 3.32Å; T71-E74 PolarHBondContact OG1-O 2.51Å; T71-N76 WeakPolarHBondContact CG2-OD1 3.43Å; T71-N76 PolarHBondContact N-OD1 3.38Å
72	S	86.8	Confident	95.8	Very high	96 Å²	96	34.1 Å²	34.1	67%	0.671	18%	0.175	S	C	*	.	S	Bend	trans	-86	-7.5	-178.4	-53.1	0	0	0	0	115.6
73	D	86.5	Confident	95.9	Very high	170 Å²	170	33.1 Å²	33.1	91%	0.909	17%	0.17	S	C	*	.	S	Bend	trans	176.3	10.3	176.7	-87.5	-37.7	0	0	0	111.9
74	E	93.1	Very high	95.7	Very high	105 Å²	105	34.2 Å²	34.2	49%	0.491	18%	0.175	S	C	.	.	S	Bend	trans	-97.2	168.3	180	-67.6	-163.3	172.2	0	0	111.4	W41 T71 N76	W41-E74 HydrophobicContact CZ2-CB 4.46Å; W41-E74 HydrophobicContact CZ2-CG 3.86Å; W41-E74 WeakPolarHBondContact CZ2-OE2 3.4Å; W41-E74 PolarHBondContact NE1-OE2 3.37Å; T71-E74 HydrophobicContact CG2-CB 4.1Å; T71-E74 WeakPolarHBondContact OG1-CA 3.18Å; T71-E74 PolarHBondContact OG1-N 3.32Å; T71-E74 PolarHBondContact OG1-O 2.51Å; E74-N76 PolarHBondContact O-N 2.81Å
75	Q	95.7	Very high	95.5	Very high	73 Å²	73	32.4 Å²	32.4	34%	0.341	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-61.3	122.4	171.8	-179.8	56.4	57.9	0	0	109.4	H77 N121 H122 G164	Q75-H77 PolarHBondContact O-CE1 3.27Å; Q75-H77 PolarHBondContact O-ND1 3.25Å; Q75-N121 WeakPolarHBondContact CG-OD1 3.48Å; Q75-H122 PolarHBondContact NE2-O 2.96Å; Q75-G164 PolarHBondContact OE1-O 3.33Å; Q75-G164 VanDerWaalsContact OE1-O 3.13Å
76	N	97.5	Very high	95	Very high	11 Å²	11	34.2 Å²	34.2	6%	0.059	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-82.3	153.6	174.7	-80.4	-67.3	0	0	0	111.4	T69 T71 E74 H122 G124 E125	T69-N76 VanDerWaalsContact C-OD1 3.22Å; T69-N76 PolarHBondContact O-OD1 3.46Å; T69-N76 WeakPolarHBondContact OG1-CA 3.17Å; T69-N76 WeakPolarHBondContact OG1-CB 3.38Å; T69-N76 PolarHBondContact OG1-OD1 3.06Å; T71-N76 WeakPolarHBondContact CG2-OD1 3.43Å; T71-N76 PolarHBondContact N-OD1 3.38Å; E74-N76 PolarHBondContact O-N 2.81Å; N76-H122 PolarHBondContact O-N 2.91Å; N76-G124 VanDerWaalsContact CB-C 3.46Å; N76-G124 WeakPolarHBondContact CB-O 3.48Å; N76-E125 PolarHBondContact ND2-N 3.44Å
77	H	97.6	Very high	94.4	Very high	27 Å²	27	35.9 Å²	35.9	13%	0.125	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.8	-175	-55.5	85.6	0	0	0	112.1	T69 Q75 V79 K119 I120 N121	T69-H77 HydrophobicContact CG2-CB 4.27Å; T69-H77 PolarHBondContact N-O 3.29Å; T69-H77 VanDerWaalsContact N-O 3.08Å; T69-H77 PolarHBondContact OG1-N 2.61Å; Q75-H77 PolarHBondContact O-CE1 3.27Å; Q75-H77 PolarHBondContact O-ND1 3.25Å; H77-V79 HydrophobicContact CB-CG2 4.01Å; H77-K119 HydrophobicContact CB-CB 4.25Å; H77-I120 CarbonylContact C-O 3.58Å; H77-I120 WeakPolarHBondContact CA-O 3.32Å; H77-N121 PolarHBondContact NE2-OD1 2.93Å
78	L	98.1	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.1	154.3	174.7	63.8	0	0	0	107.7	V66 K119 I120 A129 I139 T141 F151	V66-L78 HydrophobicContact CG1-CD1 3.65Å; L78-K119 WeakPolarHBondContact O-CA 3.33Å; L78-I120 HydrophobicContact CB-CB 4.35Å; L78-I120 HydrophobicContact CD2-CD1 4.37Å; L78-I120 PolarHBondContact N-O 3.09Å; L78-I120 PolarHBondContact O-N 3.41Å; L78-A129 HydrophobicContact CD1-CB 3.95Å; L78-I139 HydrophobicContact CD1-CG2 4.2Å; L78-I139 HydrophobicContact CD2-CB 4.28Å; L78-I139 HydrophobicContact CD2-CD1 4.38Å; L78-I139 HydrophobicContact CD2-CG2 4.03Å; L78-T141 HydrophobicContact CD1-CG2 3.91Å; L78-T141 HydrophobicContact CD2-CG2 3.99Å; L78-T141 HydrophobicContact CG-CG2 4.44Å; L78-F151 HydrophobicContact CD2-CB 4.2Å; L78-F151 HydrophobicContact CD2-CD2 3.75Å; L78-F151 HydrophobicContact CD2-CE2 4.38Å; L78-F151 HydrophobicContact CD2-CG 4.1Å
79	V	97.7	Very high	92.3	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.6	-173.1	-177	0	0	0	0	109.8	V66 L67 T69 H77 A81 C116 I118 K119	V66-V79 WeakPolarHBondContact CA-O 3.39Å; L67-V79 HydrophobicContact CB-CB 4.17Å; L67-V79 PolarHBondContact N-O 2.93Å; L67-V79 PolarHBondContact O-N 3.36Å; T69-V79 HydrophobicContact CG2-CG2 4.13Å; H77-V79 HydrophobicContact CB-CG2 4.01Å; V79-A81 HydrophobicContact CG1-CB 4.46Å; V79-C116 HydrophobicContact CG1-CB 4.2Å; V79-I118 WeakPolarHBondContact CA-O 3.43Å; V79-K119 HydrophobicContact CG1-CG 4.43Å; V79-K119 HydrophobicContact CG2-CG 4.21Å
80	V	97.6	Very high	91.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.2	165.7	-173.9	0	0	0	0	107.3	L49 W64 L65 E117 I118 I139 Y153	L49-V80 HydrophobicContact CD1-CG1 3.96Å; W64-V80 HydrophobicContact CE3-CG1 3.81Å; W64-V80 HydrophobicContact CZ3-CG1 4.23Å; L65-V80 CarbonylContact O-C 3.55Å; L65-V80 WeakPolarHBondContact O-CA 3.21Å; V80-E117 PolarHBondContact O-N 2.93Å; V80-I118 HydrophobicContact CB-CB 4.09Å; V80-I118 HydrophobicContact CB-CD1 4.5Å; V80-I118 HydrophobicContact CG2-CB 4.48Å; V80-I118 PolarHBondContact N-O 2.85Å; V80-I118 PolarHBondContact O-N 2.61Å; V80-I139 HydrophobicContact CG2-CD1 4.17Å; V80-Y153 HydrophobicContact CG2-CD1 4.16Å; V80-Y153 HydrophobicContact CG2-CD2 4.38Å; V80-Y153 HydrophobicContact CG2-CG 4.01Å
81	A	96.7	Very high	89.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.6	-175.7	0	0	0	0	0	110.9	W64 L65 L67 V79 I114 E115	W64-A81 CarbonylContact C-O 3.56Å; W64-A81 WeakPolarHBondContact CA-O 3.21Å; L65-A81 PolarHBondContact N-O 3.37Å; L65-A81 PolarHBondContact O-N 2.86Å; L67-A81 HydrophobicContact CD1-CB 4.19Å; V79-A81 HydrophobicContact CG1-CB 4.46Å; A81-I114 HydrophobicContact CB-CG2 4.29Å; A81-E115 CarbonylContact C-O 3.47Å; A81-E115 VanDerWaalsContact CA-O 3.28Å; A81-E115 WeakPolarHBondContact CA-O 3.17Å
82	R	95.5	Very high	87.6	Confident	57 Å²	57	60.3 Å²	60.3	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.7	173.2	-176.3	175	68.4	-153	-8.6	109.9	L62 H63 W64 I114 E115 E117	L62-R82 HydrophobicContact CB-CG 4.37Å; L62-R82 HydrophobicContact CD2-CG 4.13Å; H63-R82 CarbonylContact O-C 3.55Å; H63-R82 WeakPolarHBondContact O-CA 3.48Å; W64-R82 HydrophobicContact CD2-CB 4.4Å; W64-R82 HydrophobicContact CE3-CB 4.15Å; W64-R82 HydrophobicContact CH2-CB 4.5Å; W64-R82 HydrophobicContact CZ3-CB 4.23Å; R82-I114 CarbonylContact O-C 3.56Å; R82-I114 WeakPolarHBondContact O-CA 3.36Å; R82-E115 IonicContact CZ-OE2 2.97Å; R82-E115 PolarHBondContact N-O 3.36Å; R82-E115 IonicContact NE-OE2 3.03Å; R82-E115 IonicContact NH2-OE2 3.49Å; R82-E115 PolarHBondContact NH2-OE2 3.26Å; R82-E115 PolarHBondContact O-N 3.39Å; R82-E117 HydrophobicContact CB-CG 3.71Å; R82-E117 IonicContact CZ-OE1 3.98Å; R82-E117 IonicContact NE-OE1 3.12Å; R82-E117 IonicContact NH1-OE1 3.58Å; R82-E117 PolarHBondContact NH1-OE1 2.98Å; R82-E117 IonicContact NH2-OE1 3.14Å; R82-E117 PolarHBondContact NH2-OE1 2.67Å
83	V	95.5	Very high	85.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.5	-179.4	-174.3	0	0	0	0	109.1	M35 W48 L62 H63 L65 I85 I114 I400	M35-V83 HydrophobicContact CE-CG1 3.69Å; W48-V83 HydrophobicContact CH2-CB 4.3Å; W48-V83 HydrophobicContact CH2-CG1 4.25Å; W48-V83 HydrophobicContact CH2-CG2 4.15Å; W48-V83 HydrophobicContact CZ3-CB 4.19Å; W48-V83 HydrophobicContact CZ3-CG2 3.99Å; L62-V83 WeakPolarHBondContact CA-O 3.43Å; H63-V83 HydrophobicContact CB-CB 4.48Å; H63-V83 PolarHBondContact N-O 2.95Å; H63-V83 PolarHBondContact O-N 2.9Å; L65-V83 HydrophobicContact CD1-CG2 3.5Å; L65-V83 VanDerWaalsContact CD1-CG2 3.5Å; L65-V83 HydrophobicContact CG-CG2 3.93Å; V83-I85 HydrophobicContact CG1-CG1 3.89Å; V83-I114 HydrophobicContact CB-CG1 4.46Å; V83-I114 HydrophobicContact CG1-CG1 4.13Å; V83-I114 HydrophobicContact CG2-CG1 4.03Å; V83-I400 HydrophobicContact CB-CD1 4.38Å; V83-I400 HydrophobicContact CG1-CD1 3.49Å; V83-I400 VanDerWaalsContact CG1-CD1 3.49Å; V83-I400 HydrophobicContact CG2-CD1 4Å
84	H	94	Very high	84.1	Confident	23 Å²	23	54.2 Å²	54.2	11%	0.106	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.6	169.8	-60.1	60.7	0	0	0	108.5	Y60 L62 G112 K113 E115	Y60-H84 HydrophobicContact CD2-CB 4.29Å; Y60-H84 AromaticContact CD2-CD2 3.57Å; Y60-H84 AromaticContact CE2-CD2 3.41Å; Y60-H84 VanDerWaalsContact CE2-CD2 3.41Å; Y60-H84 WeakPolarHBondContact CE2-CD2 3.36Å; Y60-H84 HydrophobicContact CG-CB 4.42Å; Y60-H84 AromaticContact CZ-CD2 3.81Å; L62-H84 VanDerWaalsContact CD2-CD2 3.45Å; L62-H84 WeakPolarHBondContact CD2-CD2 3.1Å; L62-H84 WeakPolarHBondContact CD2-NE2 3.42Å; H84-G112 WeakPolarHBondContact O-CA 3.5Å; H84-K113 HydrophobicContact CB-CB 4.48Å; H84-K113 PolarHBondContact N-O 2.94Å; H84-K113 PolarHBondContact ND1-O 3.42Å; H84-E115 IonicContact CE1-OE2 2.81Å
85	I	92.1	Very high	81.9	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.7	174.9	-56.7	-172.4	0	0	0	107.8	L33 W48 Y60 A61 H63 V83 V388	L33-I85 HydrophobicContact CD2-CG2 4.06Å; W48-I85 HydrophobicContact CH2-CD1 3.72Å; W48-I85 HydrophobicContact CZ2-CD1 4.42Å; W48-I85 HydrophobicContact CZ3-CD1 4.2Å; Y60-I85 CarbonylContact C-O 3.59Å; Y60-I85 WeakPolarHBondContact CA-O 3.47Å; Y60-I85 VanDerWaalsContact CB-O 3.3Å; Y60-I85 WeakPolarHBondContact CB-O 3.27Å; A61-I85 PolarHBondContact N-O 3.33Å; A61-I85 PolarHBondContact O-N 2.84Å; H63-I85 HydrophobicContact CB-CD1 4.06Å; H63-I85 HydrophobicContact CB-CG1 4.43Å; V83-I85 HydrophobicContact CG1-CG1 3.89Å; I85-V388 HydrophobicContact CD1-CG1 4.42Å
86	P	89.1	Confident	79.3	Confident	37 Å²	37	57.2 Å²	57.2	24%	0.24	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	144.5	173.3	-19.8	29.9	0	0	0	111.6	L33 D59 A90 V110	L33-P86 HydrophobicContact CD1-CG 4.22Å; D59-P86 WeakPolarHBondContact O-CA 3.36Å; P86-A90 HydrophobicContact CB-CB 4.08Å; P86-V110 HydrophobicContact CG-CB 4.18Å
87	N	85	Confident	76.4	Confident	35 Å²	35	59.3 Å²	59.3	19%	0.187	32%	0.322	C	S	.	.			trans	-111	-179.6	172.6	66.3	15.3	0	0	0	110.9	K58 D59 Y60 D89 A90	K58-N87 PolarHBondContact O-ND2 3.07Å; D59-N87 VanDerWaalsContact C-CG 3.42Å; D59-N87 WeakPolarHBondContact CA-OD1 3.27Å; D59-N87 PolarHBondContact O-N 3.42Å; D59-N87 VanDerWaalsContact O-N 3.12Å; D59-N87 PolarHBondContact O-OD1 2.6Å; Y60-N87 PolarHBondContact N-ND2 3.42Å; N87-D89 PolarHBondContact O-N 3.12Å; N87-D89 VanDerWaalsContact O-N 3.09Å; N87-D89 WeakPolarHBondContact OD1-CB 3.35Å; N87-D89 PolarHBondContact OD1-N 2.9Å; N87-A90 WeakPolarHBondContact O-CB 3.49Å; N87-A90 PolarHBondContact O-N 3.45Å; N87-A90 PolarHBondContact OD1-N 3.3Å
88	D	77.6	Confident	73.7	Confident	173 Å²	173	62.4 Å²	62.4	93%	0.925	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.7	-179.8	-55.6	-26.8	0	0	0	114.4	A90	D88-A90 VanDerWaalsContact C-N 3.27Å
89	D	75.2	Confident	71	Confident	124 Å²	124	66.7 Å²	66.7	66%	0.663	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.8	177.1	-66.1	-43.7	0	0	0	112.5	N87 Q91	N87-D89 PolarHBondContact O-N 3.12Å; N87-D89 VanDerWaalsContact O-N 3.09Å; N87-D89 WeakPolarHBondContact OD1-CB 3.35Å; N87-D89 PolarHBondContact OD1-N 2.9Å; D89-Q91 PolarHBondContact O-N 3.11Å
90	A	74.5	Confident	68.2	Low	32 Å²	32	73 Å²	73	26%	0.264	40%	0.402	S	S	.	.			trans	-67.4	117	177.9	0	0	0	0	0	111.2	D59 P86 N87 D88 F92	D59-A90 HydrophobicContact CB-CB 4.02Å; P86-A90 HydrophobicContact CB-CB 4.08Å; N87-A90 WeakPolarHBondContact O-CB 3.49Å; N87-A90 PolarHBondContact O-N 3.45Å; N87-A90 PolarHBondContact OD1-N 3.3Å; D88-A90 VanDerWaalsContact C-N 3.27Å; A90-F92 PolarHBondContact O-N 3.42Å
91	Q	58.9	Low	65.7	Low	172 Å²	172	80.6 Å²	80.6	80%	0.804	44%	0.435	S	S	*	.			trans	-75.5	123.7	172.5	-67.6	-176.2	5.2	0	0	109.9	D89 D93	D89-Q91 PolarHBondContact O-N 3.11Å; Q91-D93 PolarHBondContact O-N 2.79Å
92	F	55.4	Low	62.9	Low	119 Å²	119	83.5 Å²	83.5	52%	0.522	47%	0.465	S	S	.	.			trans	-76.2	104.5	172	-169.5	-92.2	0	0	0	110	A90 A94 F107	A90-F92 PolarHBondContact O-N 3.42Å; F92-A94 HydrophobicContact CD1-CB 4.18Å; F92-A94 HydrophobicContact CE1-CB 3.83Å; F92-A94 PolarHBondContact O-N 2.92Å; F92-F107 AromaticContact CE2-CD1 3.66Å; F92-F107 HydrophobicContact CE2-CD1 3.66Å; F92-F107 AromaticContact CE2-CE1 3.81Å; F92-F107 HydrophobicContact CE2-CE1 3.81Å; F92-F107 AromaticContact CZ-CD1 3.82Å; F92-F107 HydrophobicContact CZ-CD1 3.82Å; F92-F107 AromaticContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CE1 3.48Å; F92-F107 VanDerWaalsContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CZ 4.13Å
93	D	49.3	Very low	60	Low	76 Å²	76	89.1 Å²	89.1	41%	0.406	49%	0.494	S	S	.	.			trans	-91.6	96.5	169.7	-167.3	-10.4	0	0	0	110.4	Q91 S95 H96	Q91-D93 PolarHBondContact O-N 2.79Å; D93-S95 PolarHBondContact O-N 2.87Å; D93-S95 VanDerWaalsContact O-N 3.09Å; D93-S95 WeakPolarHBondContact OD1-CB 3.15Å; D93-S95 PolarHBondContact OD1-N 3.17Å; D93-S95 PolarHBondContact OD1-OG 3.14Å; D93-S95 PolarHBondContact OD2-OG 3.05Å; D93-S95 VanDerWaalsContact OD2-OG 3.12Å; D93-H96 PolarHBondContact O-N 3.01Å
94	A	49.7	Very low	57.4	Low	62 Å²	62	95 Å²	95	51%	0.512	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-60.2	-16	176.1	0	0	0	0	0	113.4	F92 H96 C97	F92-A94 HydrophobicContact CD1-CB 4.18Å; F92-A94 HydrophobicContact CE1-CB 3.83Å; F92-A94 PolarHBondContact O-N 2.92Å; A94-H96 PolarHBondContact O-N 3.09Å; A94-C97 WeakPolarHBondContact O-CB 3.38Å; A94-C97 PolarHBondContact O-N 3.42Å
95	S	46.6	Very low	54.6	Low	93 Å²	93	96.7 Å²	96.7	65%	0.65	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-72.7	-14.6	-179.1	75.7	0	0	0	0	114.1	D93 C97	D93-S95 PolarHBondContact O-N 2.87Å; D93-S95 VanDerWaalsContact O-N 3.09Å; D93-S95 WeakPolarHBondContact OD1-CB 3.15Å; D93-S95 PolarHBondContact OD1-N 3.17Å; D93-S95 PolarHBondContact OD1-OG 3.14Å; D93-S95 PolarHBondContact OD2-OG 3.05Å; D93-S95 VanDerWaalsContact OD2-OG 3.12Å; S95-C97 VanDerWaalsContact C-N 3.26Å; S95-C97 PolarHBondContact O-N 3.01Å
96	H	41.5	Very low	51.9	Low	148 Å²	148	97.8 Å²	97.8	69%	0.685	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-81.3	1.1	171.3	-88.9	-65.1	0	0	0	114.1	D93 A94 D98	D93-H96 PolarHBondContact O-N 3.01Å; A94-H96 PolarHBondContact O-N 3.09Å; H96-D98 PolarHBondContact O-N 2.87Å
97	C	37.4	Very low	49.4	Very low	55 Å²	55	98.6 Å²	98.6	37%	0.372	56%	0.556	S	S	.	*			trans	-72.6	72.6	165.8	-72.6	0	0	0	0	110.6	A94 S95 S99 F104	A94-C97 WeakPolarHBondContact O-CB 3.38Å; A94-C97 PolarHBondContact O-N 3.42Å; S95-C97 VanDerWaalsContact C-N 3.26Å; S95-C97 PolarHBondContact O-N 3.01Å; C97-S99 PolarHBondContact O-N 3.35Å; C97-S99 VanDerWaalsContact O-N 3.08Å; C97-F104 HydrophobicContact CB-CE1 4.4Å
98	D	39.2	Very low	47.3	Very low	92 Å²	92	98.1 Å²	98.1	49%	0.492	56%	0.559	S	S	.	*			trans	-78.7	92.3	175.4	-153.4	2.6	0	0	0	108.9	H96 D100 K101	H96-D98 PolarHBondContact O-N 2.87Å; D98-D100 PolarHBondContact O-N 3.48Å; D98-K101 PolarHBondContact O-N 3.37Å
99	S	42.1	Very low	45.4	Very low	89 Å²	89	93 Å²	93	62%	0.622	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.2	-178.4	53.6	0	0	0	0	113.9	C97	C97-S99 PolarHBondContact O-N 3.35Å; C97-S99 VanDerWaalsContact O-N 3.08Å
100	D	40.1	Very low	43.9	Very low	141 Å²	141	88.3 Å²	88.3	75%	0.754	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-16.4	-167.2	-71.1	0.6	0	0	0	113.8	D98	D98-D100 PolarHBondContact O-N 3.48Å
101	K	43.7	Very low	42.9	Very low	159 Å²	159	92.1 Å²	92.1	69%	0.691	53%	0.533	S	S	*	.	S	Bend	trans	-96.6	-3.3	-176	-82.9	-172.3	177	176.8	0	116.4	D98 E103	D98-K101 PolarHBondContact O-N 3.37Å; K101-E103 PolarHBondContact O-N 2.89Å
102	G	38.7	Very low	43	Very low	60 Å²	60	84.8 Å²	84.8	62%	0.619	50%	0.504	S	S	*	.	S	Bend	trans	61.9	-2.7	172.1	0	0	0	0	0	116.2
103	E	34.9	Very low	44.3	Very low	175 Å²	175	84.5 Å²	84.5	82%	0.818	50%	0.502	S	S	*	.			trans	-106.1	79.2	171.6	-70.4	179.3	175.4	0	0	107.5	K101 G105	K101-E103 PolarHBondContact O-N 2.89Å; E103-G105 PolarHBondContact O-N 3.01Å
104	F	39.6	Very low	46.1	Very low	123 Å²	123	81.7 Å²	81.7	54%	0.539	49%	0.487	S	S	.	.			trans	-69.3	79	160.5	-81.2	-85.6	0	0	0	107.6	C97 G106	C97-F104 HydrophobicContact CB-CE1 4.4Å; F104-G106 PolarHBondContact O-N 3Å
105	G	35.7	Very low	48	Very low	59 Å²	59	80.9 Å²	80.9	61%	0.608	47%	0.473	S	S	*	.			trans	-78.5	100.6	168.1	0	0	0	0	0	108.7	E103	E103-G105 PolarHBondContact O-N 3.01Å
106	G	36.6	Very low	50.1	Low	30 Å²	30	79.9 Å²	79.9	31%	0.309	47%	0.465	S	S	.	.			trans	69.4	114.1	173.7	0	0	0	0	0	114.2	F104 G108	F104-G106 PolarHBondContact O-N 3Å; G106-G108 PolarHBondContact O-N 3.29Å
107	F	36.4	Very low	52.5	Low	54 Å²	54	75.9 Å²	75.9	24%	0.237	45%	0.446	C	S	.	.	S	Bend	trans	-68.5	120.5	158.4	-133.2	-106.3	0	0	0	106.8	P28 F92	P28-F107 HydrophobicContact CB-CD2 4.48Å; P28-F107 HydrophobicContact CB-CE1 4.45Å; P28-F107 HydrophobicContact CB-CE2 3.59Å; P28-F107 HydrophobicContact CB-CZ 3.58Å; P28-F107 HydrophobicContact CG-CD2 4.34Å; P28-F107 HydrophobicContact CG-CE2 3.61Å; P28-F107 HydrophobicContact CG-CZ 4.13Å; F92-F107 AromaticContact CE2-CD1 3.66Å; F92-F107 HydrophobicContact CE2-CD1 3.66Å; F92-F107 AromaticContact CE2-CE1 3.81Å; F92-F107 HydrophobicContact CE2-CE1 3.81Å; F92-F107 AromaticContact CZ-CD1 3.82Å; F92-F107 HydrophobicContact CZ-CD1 3.82Å; F92-F107 AromaticContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CE1 3.48Å; F92-F107 VanDerWaalsContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CZ 4.13Å
108	G	39.3	Very low	55.2	Low	24 Å²	24	74.4 Å²	74.4	25%	0.247	44%	0.435	C	S	.	.	S	Bend	trans	110	134.2	-176.3	0	0	0	0	0	113.1	G106 V110	G106-G108 PolarHBondContact O-N 3.29Å; G108-V110 CarbonylContact O-C 3.58Å; G108-V110 PolarHBondContact O-N 2.86Å
109	S	38.7	Very low	57.9	Low	67 Å²	67	72.7 Å²	72.7	47%	0.469	42%	0.423	S	S	.	.	S	Bend	trans	-58.6	-2.5	-173.1	-172.9	0	0	0	0	115.9
110	V	42.8	Very low	60.6	Low	24 Å²	24	68.8 Å²	68.8	15%	0.145	40%	0.395	C	S	.	.	S	Bend	trans	-106	105.2	173.6	-171.8	0	0	0	0	106.4	P86 G108 G112	P86-V110 HydrophobicContact CG-CB 4.18Å; G108-V110 CarbonylContact O-C 3.58Å; G108-V110 PolarHBondContact O-N 2.86Å; V110-G112 PolarHBondContact O-N 2.86Å
111	T	53.6	Low	63.3	Low	113 Å²	113	62.4 Å²	62.4	69%	0.693	36%	0.361	S	S	*	.			trans	-57.4	94.3	161.4	53.1	0	0	0	0	106.3	K113	T111-K113 PolarHBondContact O-N 2.77Å
112	G	61.7	Low	65.9	Low	18 Å²	18	54.9 Å²	54.9	19%	0.186	33%	0.328	C	S	.	.			trans	-55.3	114.6	-174.4	0	0	0	0	0	108.4	M35 H84 V110	M35-G112 VanDerWaalsContact CE-C 3.41Å; M35-G112 WeakPolarHBondContact CE-O 3.45Å; H84-G112 WeakPolarHBondContact O-CA 3.5Å; V110-G112 PolarHBondContact O-N 2.86Å
113	K	82.2	Confident	68.6	Low	113 Å²	113	55.3 Å²	55.3	49%	0.491	31%	0.314	S	S	.	.			trans	-95.8	123.3	-168.4	-165.5	-174.4	-172.7	-170.5	0	108.6	H84 T111 E115	H84-K113 HydrophobicContact CB-CB 4.48Å; H84-K113 PolarHBondContact N-O 2.94Å; H84-K113 PolarHBondContact ND1-O 3.42Å; T111-K113 PolarHBondContact O-N 2.77Å; K113-E115 HydrophobicContact CD-CG 3.98Å; K113-E115 WeakPolarHBondContact CD-OE1 3.42Å; K113-E115 WeakPolarHBondContact CE-OE1 2.94Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 3.82Å; K113-E115 PolarHBondContact NZ-OE1 2.79Å
114	I	86.6	Confident	71.5	Confident	17 Å²	17	48.4 Å²	48.4	9%	0.087	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.2	170.9	-64.7	133.8	0	0	0	108.2	M35 H37 A81 R82 V83 M398 I400	M35-I114 HydrophobicContact CE-CD1 4.21Å; M35-I114 HydrophobicContact CE-CG1 4.43Å; H37-I114 HydrophobicContact CB-CD1 3.31Å; A81-I114 HydrophobicContact CB-CG2 4.29Å; R82-I114 CarbonylContact O-C 3.56Å; R82-I114 WeakPolarHBondContact O-CA 3.36Å; V83-I114 HydrophobicContact CB-CG1 4.46Å; V83-I114 HydrophobicContact CG1-CG1 4.13Å; V83-I114 HydrophobicContact CG2-CG1 4.03Å; I114-M398 HydrophobicContact CB-CE 4.27Å; I114-M398 HydrophobicContact CD1-CE 3.29Å; I114-M398 HydrophobicContact CG1-CE 3.68Å; I114-M398 HydrophobicContact CG2-CE 3.83Å; I114-I400 HydrophobicContact CD1-CD1 4.28Å; I114-I400 HydrophobicContact CG1-CD1 4.47Å
115	E	90.9	Very high	74.2	Confident	45 Å²	45	44.8 Å²	44.8	21%	0.21	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.7	-178.9	-63.7	179.1	140	0	0	109.1	A81 R82 H84 K113 E117	A81-E115 CarbonylContact C-O 3.47Å; A81-E115 VanDerWaalsContact CA-O 3.28Å; A81-E115 WeakPolarHBondContact CA-O 3.17Å; R82-E115 IonicContact CZ-OE2 2.97Å; R82-E115 PolarHBondContact N-O 3.36Å; R82-E115 IonicContact NE-OE2 3.03Å; R82-E115 IonicContact NH2-OE2 3.49Å; R82-E115 PolarHBondContact NH2-OE2 3.26Å; R82-E115 PolarHBondContact O-N 3.39Å; H84-E115 IonicContact CE1-OE2 2.81Å; K113-E115 HydrophobicContact CD-CG 3.98Å; K113-E115 WeakPolarHBondContact CD-OE1 3.42Å; K113-E115 WeakPolarHBondContact CE-OE1 2.94Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 3.82Å; K113-E115 PolarHBondContact NZ-OE1 2.79Å; E115-E117 PolarHBondContact O-N 2.71Å
116	C	89.6	Confident	77.2	Confident	72 Å²	72	42 Å²	42	49%	0.486	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	111.6	170.5	-64	0	0	0	0	108.8	V79	V79-C116 HydrophobicContact CG1-CB 4.2Å
117	E	91.9	Very high	80.1	Confident	63 Å²	63	40.7 Å²	40.7	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-41.8	-178	-72.2	-68.5	147.4	0	0	111.5	W64 V80 R82 E115 A158	W64-E117 HydrophobicContact CH2-CB 4.26Å; W64-E117 HydrophobicContact CH2-CG 3.95Å; W64-E117 HydrophobicContact CZ3-CB 3.73Å; W64-E117 HydrophobicContact CZ3-CG 3.69Å; V80-E117 PolarHBondContact O-N 2.93Å; R82-E117 HydrophobicContact CB-CG 3.71Å; R82-E117 IonicContact CZ-OE1 3.98Å; R82-E117 IonicContact NE-OE1 3.12Å; R82-E117 IonicContact NH1-OE1 3.58Å; R82-E117 PolarHBondContact NH1-OE1 2.98Å; R82-E117 IonicContact NH2-OE1 3.14Å; R82-E117 PolarHBondContact NH2-OE1 2.67Å; E115-E117 PolarHBondContact O-N 2.71Å; E117-A158 WeakPolarHBondContact O-CB 3.44Å
118	I	95.3	Very high	83.1	Confident	25 Å²	25	38.9 Å²	38.9	13%	0.128	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131	-179.4	-51.8	174.8	0	0	0	108.8	V79 V80 I120 Y153 A158	V79-I118 WeakPolarHBondContact CA-O 3.43Å; V80-I118 HydrophobicContact CB-CB 4.09Å; V80-I118 HydrophobicContact CB-CD1 4.5Å; V80-I118 HydrophobicContact CG2-CB 4.48Å; V80-I118 PolarHBondContact N-O 2.85Å; V80-I118 PolarHBondContact O-N 2.61Å; I118-I120 HydrophobicContact CG2-CD1 4.37Å; I118-I120 HydrophobicContact CG2-CG1 3.92Å; I118-Y153 HydrophobicContact CD1-CD2 3.57Å; I118-Y153 HydrophobicContact CD1-CE2 4.16Å; I118-A158 WeakPolarHBondContact CA-O 3.19Å
119	K	96.1	Very high	85.9	Confident	56 Å²	56	37.7 Å²	37.7	24%	0.243	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.8	167	-60.4	-173.1	175.8	-172.2	0	109.3	H77 L78 V79 A158 P160	H77-K119 HydrophobicContact CB-CB 4.25Å; L78-K119 WeakPolarHBondContact O-CA 3.33Å; V79-K119 HydrophobicContact CG1-CG 4.43Å; V79-K119 HydrophobicContact CG2-CG 4.21Å; K119-A158 PolarHBondContact N-O 3.32Å; K119-A158 VanDerWaalsContact N-O 3.08Å; K119-P160 HydrophobicContact CB-CG 4.15Å; K119-P160 WeakPolarHBondContact O-CA 3.38Å; K119-P160 WeakPolarHBondContact O-CB 3.15Å
120	I	97.4	Very high	88.8	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128	178.2	-54	175.8	0	0	0	107.4	H77 L78 I118 H122 F151 H156	H77-I120 CarbonylContact C-O 3.58Å; H77-I120 WeakPolarHBondContact CA-O 3.32Å; L78-I120 HydrophobicContact CB-CB 4.35Å; L78-I120 HydrophobicContact CD2-CD1 4.37Å; L78-I120 PolarHBondContact N-O 3.09Å; L78-I120 PolarHBondContact O-N 3.41Å; I118-I120 HydrophobicContact CG2-CD1 4.37Å; I118-I120 HydrophobicContact CG2-CG1 3.92Å; I120-H122 PolarHBondContact O-N 2.75Å; I120-F151 HydrophobicContact CD1-CB 4.37Å; I120-F151 HydrophobicContact CG2-CD1 3.79Å; I120-F151 HydrophobicContact CG2-CE1 3.78Å; I120-H156 HydrophobicContact CD1-CB 3.74Å; I120-H156 HydrophobicContact CG1-CB 3.79Å
121	N	97.6	Very high	91.5	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	132.7	174.3	-71.1	-27.9	0	0	0	110	Q75 H77 P160 D161 G164 E165 C166	Q75-N121 WeakPolarHBondContact CG-OD1 3.48Å; H77-N121 PolarHBondContact NE2-OD1 2.93Å; N121-P160 VanDerWaalsContact OD1-CB 3.25Å; N121-P160 WeakPolarHBondContact OD1-CB 3.35Å; N121-D161 PolarHBondContact ND2-O 3.18Å; N121-G164 VanDerWaalsContact ND2-C 3.31Å; N121-G164 WeakPolarHBondContact ND2-CA 3.41Å; N121-E165 VanDerWaalsContact CB-O 3.3Å; N121-E165 WeakPolarHBondContact CB-O 3.41Å; N121-E165 PolarHBondContact ND2-O 3.06Å; N121-C166 PolarHBondContact O-SG 3.08Å
122	H	97.6	Very high	93.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.161	C	C	.	.			trans	-123.8	149.8	-178.2	-169.8	-93.2	0	0	0	111	Q75 N76 I120 G124 E125 V126 T141 T143 F151	Q75-H122 PolarHBondContact NE2-O 2.96Å; N76-H122 PolarHBondContact O-N 2.91Å; I120-H122 PolarHBondContact O-N 2.75Å; H122-G124 PolarHBondContact ND1-O 2.62Å; H122-G124 PolarHBondContact O-N 2.79Å; H122-E125 PolarHBondContact CE1-O 2.69Å; H122-V126 HydrophobicContact CB-CG2 4.14Å; H122-T141 PolarHBondContact NE2-OG1 3.31Å; H122-T143 VanDerWaalsContact CE1-CG2 3.45Å; H122-T143 WeakPolarHBondContact CE1-CG2 3.46Å; H122-F151 AromaticContact CD2-CE2 3.99Å
123	E	95.3	Very high	95.3	Very high	69 Å²	69	32.7 Å²	32.7	32%	0.322	17%	0.168	S	C	.	.	S	Bend	trans	-82	99.1	177.1	-76.2	172.5	-152.5	0	0	110	P144 L149 C166 R171	E123-P144 WeakPolarHBondContact O-CD 3.28Å; E123-L149 HydrophobicContact CB-CD1 4.35Å; E123-C166 HydrophobicContact CG-CB 3.57Å; E123-R171 IonicContact OE1-CZ 3.66Å; E123-R171 IonicContact OE1-NH2 3.64Å; E123-R171 PolarHBondContact OE1-NH2 3.2Å; E123-R171 IonicContact OE2-CZ 3.29Å; E123-R171 IonicContact OE2-NH1 2.68Å; E123-R171 IonicContact OE2-NH2 2.76Å; E123-R171 PolarHBondContact OE2-NH2 3.36Å
124	G	96.2	Very high	96.1	Very high	29 Å²	29	30.8 Å²	30.8	30%	0.299	16%	0.161	S	C	.	.	S	Bend	trans	70.7	-173.8	-173.6	0	0	0	0	0	112.3	N76 H122	N76-G124 VanDerWaalsContact CB-C 3.46Å; N76-G124 WeakPolarHBondContact CB-O 3.48Å; H122-G124 PolarHBondContact ND1-O 2.62Å; H122-G124 PolarHBondContact O-N 2.79Å
125	E	97.2	Very high	96.6	Very high	48 Å²	48	32.5 Å²	32.5	22%	0.224	17%	0.17	C	C	.	.			trans	-61.2	152.5	177.8	60.7	-82.8	-169.2	0	0	112.3	L44 T69 H70 N76 H122 N127 P144	L44-E125 HydrophobicContact CD1-CB 4.49Å; L44-E125 HydrophobicContact CD1-CG 4.23Å; T69-E125 WeakPolarHBondContact O-CA 3.11Å; H70-E125 HydrophobicContact CB-CB 3.96Å; N76-E125 PolarHBondContact ND2-N 3.44Å; H122-E125 PolarHBondContact CE1-O 2.69Å; E125-N127 WeakPolarHBondContact CG-OD1 3.47Å; E125-N127 PolarHBondContact O-N 3.37Å; E125-P144 HydrophobicContact CG-CG 3.69Å; E125-P144 WeakPolarHBondContact O-CD 3.33Å; E125-P144 WeakPolarHBondContact OE1-CG 3.41Å; E125-P144 WeakPolarHBondContact OE2-CG 3.4Å
126	V	98.3	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.			trans	-94.9	91.8	-179.8	-174.6	0	0	0	0	108.4	T45 T69 H122 R128 A129 T141	T45-V126 HydrophobicContact CG2-CG1 3.95Å; T69-V126 PolarHBondContact O-N 3.11Å; H122-V126 HydrophobicContact CB-CG2 4.14Å; V126-R128 PolarHBondContact O-N 3.16Å; V126-A129 HydrophobicContact CG1-CB 3.98Å; V126-T141 HydrophobicContact CG1-CG2 4.05Å
127	N	98.2	Very high	97.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.011	16%	0.161	C	C	.	.	S	Bend	trans	-60.7	-34.5	-177.8	-72.2	0.2	0	0	0	112.5	E125 K142 E178 Y180	E125-N127 WeakPolarHBondContact CG-OD1 3.47Å; E125-N127 PolarHBondContact O-N 3.37Å; N127-K142 HydrophobicContact CB-CB 3.88Å; N127-K142 PolarHBondContact N-O 3.13Å; N127-K142 VanDerWaalsContact N-O 3.14Å; N127-E178 PolarHBondContact ND2-OE2 2.76Å; N127-Y180 HydrophobicContact CB-CD1 3.76Å; N127-Y180 HydrophobicContact CB-CE1 3.87Å
128	R	98.7	Very high	97.6	Very high	16 Å²	16	29.9 Å²	29.9	6%	0.06	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	141.2	176.1	-163.2	70.5	62.2	-179.3	2.3	109.9	V126 R130 T141 K142 Y180 L182 D378	V126-R128 PolarHBondContact O-N 3.16Å; R128-R130 VanDerWaalsContact CD-CZ 3.49Å; R128-R130 HydrophobicContact CG-CG 4.33Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 WeakPolarHBondContact O-CA 3.2Å; R128-K142 HydrophobicContact CB-CB 4.07Å; R128-K142 HydrophobicContact CB-CG 4.07Å; R128-K142 PolarHBondContact O-N 3.09Å; R128-Y180 WeakPolarHBondContact CB-O 3.26Å; R128-Y180 VanDerWaalsContact CG-O 3.26Å; R128-Y180 WeakPolarHBondContact CG-O 3.24Å; R128-Y180 PolarHBondContact NE-O 3.32Å; R128-L182 HydrophobicContact CB-CB 4.26Å; R128-L182 HydrophobicContact CB-CD2 4.5Å; R128-L182 HydrophobicContact CG-CB 3.85Å; R128-L182 HydrophobicContact CG-CD2 4.43Å; R128-D378 VanDerWaalsContact NH1-CG 3.28Å; R128-D378 IonicContact NH1-OD1 3.99Å; R128-D378 PolarHBondContact NH1-OD1 3.03Å; R128-D378 IonicContact NH1-OD2 3.93Å; R128-D378 PolarHBondContact NH1-OD2 3.14Å
129	A	98.7	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.6	170.6	0	0	0	0	0	109.9	T45 V66 L78 V126 I139 A140 T141	T45-A129 HydrophobicContact CG2-CB 3.82Å; T45-A129 PolarHBondContact OG1-N 2.86Å; T45-A129 PolarHBondContact OG1-O 3.12Å; V66-A129 HydrophobicContact CG1-CB 3.67Å; L78-A129 HydrophobicContact CD1-CB 3.95Å; V126-A129 HydrophobicContact CG1-CB 3.98Å; A129-I139 HydrophobicContact CB-CG2 4.12Å; A129-A140 WeakPolarHBondContact CA-O 3.35Å; A129-T141 HydrophobicContact CB-CG2 3.91Å
130	R	98.8	Very high	97.9	Very high	22 Å²	22	26 Å²	26	8%	0.083	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.3	177.2	-62.9	-65.7	-179.1	-107.2	14.2	111.4	T45 R128 I139 A140 L182 W184 D378	T45-R130 PolarHBondContact OG1-NH1 2.62Å; R128-R130 VanDerWaalsContact CD-CZ 3.49Å; R128-R130 HydrophobicContact CG-CG 4.33Å; R130-I139 WeakPolarHBondContact O-CA 3.4Å; R130-A140 PolarHBondContact N-O 2.96Å; R130-A140 PolarHBondContact O-N 3.16Å; R130-L182 HydrophobicContact CB-CD2 4.17Å; R130-L182 HydrophobicContact CB-CG 4.5Å; R130-L182 HydrophobicContact CG-CB 4.42Å; R130-L182 HydrophobicContact CG-CD2 4.29Å; R130-L182 HydrophobicContact CG-CG 4.49Å; R130-W184 PolarHBondContact O-NE1 2.71Å; R130-D378 IonicContact CZ-OD2 2.7Å; R130-D378 IonicContact NH1-OD2 3.44Å; R130-D378 PolarHBondContact NH1-OD2 2.99Å; R130-D378 IonicContact NH2-OD1 2.69Å; R130-D378 PolarHBondContact NH2-OD1 2.81Å; R130-D378 IonicContact NH2-OD2 2.86Å; R130-D378 PolarHBondContact NH2-OD2 3.08Å
131	Y	98.6	Very high	98	Very high	39 Å²	39	25.7 Å²	25.7	15%	0.153	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	151.2	174.9	76	-96.2	0	0	0	111.9	Q47 W48 L49 P50 P133 P136 I138	Q47-Y131 VanDerWaalsContact CD-CE1 3.46Å; Q47-Y131 HydrophobicContact CG-CD1 4.09Å; Q47-Y131 HydrophobicContact CG-CE1 4.02Å; W48-Y131 WeakPolarHBondContact O-CE1 3.49Å; L49-Y131 HydrophobicContact CD2-CD1 3.69Å; L49-Y131 HydrophobicContact CD2-CG 3.81Å; P50-Y131 HydrophobicContact CG-CE2 4.21Å; Y131-P133 WeakPolarHBondContact O-CD 3.38Å; Y131-P136 HydrophobicContact CD2-CB 3.78Å; Y131-P136 HydrophobicContact CD2-CG 4.06Å; Y131-P136 HydrophobicContact CE2-CB 4.31Å; Y131-P136 HydrophobicContact CE2-CG 4.2Å; Y131-P136 HydrophobicContact CG-CB 4.3Å; Y131-I138 CarbonylContact C-O 3.59Å; Y131-I138 VanDerWaalsContact CA-O 3.32Å; Y131-I138 WeakPolarHBondContact CA-O 3.42Å
132	M	98.5	Very high	98	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.6	174.7	-175.4	175.2	71.2	0	0	110.6	Q134 N135 I138 W184 G190 I206	M132-Q134 VanDerWaalsContact CG-OE1 3.24Å; M132-Q134 PolarHBondContact O-N 2.68Å; M132-Q134 VanDerWaalsContact O-N 3.08Å; M132-N135 HydrophobicContact CE-CB 3.51Å; M132-N135 CarbonylContact O-C 3.58Å; M132-N135 PolarHBondContact O-N 3.13Å; M132-N135 VanDerWaalsContact O-O 3.12Å; M132-I138 HydrophobicContact CB-CB 4.25Å; M132-I138 HydrophobicContact CE-CB 4.41Å; M132-I138 HydrophobicContact CE-CD1 3.69Å; M132-I138 HydrophobicContact CE-CG1 4.4Å; M132-I138 PolarHBondContact N-O 2.98Å; M132-W184 HydrophobicContact CB-CD2 3.78Å; M132-W184 HydrophobicContact CB-CE3 4.01Å; M132-W184 HydrophobicContact CB-CG 4.22Å; M132-W184 HydrophobicContact CB-CH2 4.41Å; M132-W184 HydrophobicContact CB-CZ2 4.15Å; M132-W184 HydrophobicContact CB-CZ3 4.33Å; M132-W184 HydrophobicContact CG-CD2 3.98Å; M132-W184 HydrophobicContact CG-CE3 3.75Å; M132-W184 HydrophobicContact CG-CG 4.49Å; M132-W184 HydrophobicContact CG-CZ3 4.14Å; M132-W184 HydrophobicContact SD-CE3 4.05Å; M132-W184 HydrophobicContact SD-CH2 4.43Å; M132-W184 HydrophobicContact SD-CZ3 3.88Å; M132-G190 VanDerWaalsContact SD-CA 3.57Å; M132-G190 PolarHBondContact SD-N 2.81Å; M132-I206 HydrophobicContact SD-CD1 4.44Å
133	P	97.8	Very high	98	Very high	51 Å²	51	25.3 Å²	25.3	33%	0.331	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.5	-174.7	-31.1	37.3	0	0	0	115.1	Y131 W184	Y131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-W184 VanDerWaalsContact CD-CB 3.45Å; P133-W184 HydrophobicContact CG-CB 4.31Å
134	Q	98	Very high	98	Very high	72 Å²	72	24 Å²	24	34%	0.336	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.9	-177.3	-53.3	82.2	5.8	0	0	113.4	M132 N185 S186	M132-Q134 VanDerWaalsContact CG-OE1 3.24Å; M132-Q134 PolarHBondContact O-N 2.68Å; M132-Q134 VanDerWaalsContact O-N 3.08Å; Q134-N185 PolarHBondContact NE2-O 3.39Å; Q134-S186 PolarHBondContact NE2-O 3.44Å
135	N	97.9	Very high	98	Very high	54 Å²	54	24.7 Å²	24.7	29%	0.289	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	92.3	171	-178	1.8	0	0	0	109.4	M132 H137 I138	M132-N135 HydrophobicContact CE-CB 3.51Å; M132-N135 CarbonylContact O-C 3.58Å; M132-N135 PolarHBondContact O-N 3.13Å; M132-N135 VanDerWaalsContact O-O 3.12Å; N135-H137 PolarHBondContact O-N 2.75Å; N135-H137 WeakPolarHBondContact OD1-CB 3.44Å; N135-H137 PolarHBondContact OD1-CD2 3.11Å; N135-H137 PolarHBondContact OD1-N 3.44Å; N135-I138 HydrophobicContact CB-CD1 4.38Å; N135-I138 HydrophobicContact CB-CG1 4.4Å; N135-I138 PolarHBondContact O-N 3.41Å
136	P	97.9	Very high	98	Very high	31 Å²	31	24.1 Å²	24.1	20%	0.201	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-12.6	-176.3	-25.3	35.1	0	0	0	115.2	L49 P50 Y131 I138 Y153	L49-P136 HydrophobicContact CD2-CB 4.24Å; P50-P136 HydrophobicContact CG-CB 3.93Å; P50-P136 HydrophobicContact CG-CG 3.47Å; P50-P136 VanDerWaalsContact CG-CG 3.47Å; Y131-P136 HydrophobicContact CD2-CB 3.78Å; Y131-P136 HydrophobicContact CD2-CG 4.06Å; Y131-P136 HydrophobicContact CE2-CB 4.31Å; Y131-P136 HydrophobicContact CE2-CG 4.2Å; Y131-P136 HydrophobicContact CG-CB 4.3Å; P136-I138 PolarHBondContact O-N 2.84Å; P136-Y153 WeakPolarHBondContact O-CE1 2.94Å
137	H	97.8	Very high	97.9	Very high	66 Å²	66	24.8 Å²	24.8	31%	0.306	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-22.5	172.3	-59.4	-35.3	0	0	0	113.3	N135 D152 Y153 T154	N135-H137 PolarHBondContact O-N 2.75Å; N135-H137 WeakPolarHBondContact OD1-CB 3.44Å; N135-H137 PolarHBondContact OD1-CD2 3.11Å; N135-H137 PolarHBondContact OD1-N 3.44Å; H137-D152 WeakPolarHBondContact O-CA 3.49Å; H137-Y153 HydrophobicContact CB-CE1 4.28Å; H137-Y153 AromaticContact ND1-CE1 3.98Å; H137-Y153 AromaticContact ND1-CE2 3.97Å; H137-Y153 AromaticContact ND1-CZ 3.37Å; H137-Y153 PolarHBondContact ND1-OH 2.91Å; H137-Y153 WeakPolarHBondContact O-CD1 3.14Å; H137-Y153 PolarHBondContact O-N 3.3Å; H137-T154 HydrophobicContact CB-CG2 3.85Å
138	I	98.3	Very high	98	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.138	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.6	179.4	-55.4	-175.4	0	0	0	109.2	Y131 M132 N135 P136 V150 F151 W184 I206	Y131-I138 CarbonylContact C-O 3.59Å; Y131-I138 VanDerWaalsContact CA-O 3.32Å; Y131-I138 WeakPolarHBondContact CA-O 3.42Å; M132-I138 HydrophobicContact CB-CB 4.25Å; M132-I138 HydrophobicContact CE-CB 4.41Å; M132-I138 HydrophobicContact CE-CD1 3.69Å; M132-I138 HydrophobicContact CE-CG1 4.4Å; M132-I138 PolarHBondContact N-O 2.98Å; N135-I138 HydrophobicContact CB-CD1 4.38Å; N135-I138 HydrophobicContact CB-CG1 4.4Å; N135-I138 PolarHBondContact O-N 3.41Å; P136-I138 PolarHBondContact O-N 2.84Å; I138-V150 HydrophobicContact CG2-CG1 3.41Å; I138-V150 VanDerWaalsContact CG2-CG1 3.41Å; I138-F151 CarbonylContact C-O 3.57Å; I138-F151 WeakPolarHBondContact CA-O 3.3Å; I138-W184 HydrophobicContact CG2-CH2 4.33Å; I138-W184 HydrophobicContact CG2-CZ2 4.24Å; I138-I206 HydrophobicContact CG2-CD1 4.39Å
139	I	98.7	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.4	179.2	-60.5	169.5	0	0	0	108.7	V66 L78 V80 A129 R130 T141 V150 F151 Y153	V66-I139 HydrophobicContact CB-CD1 4.43Å; V66-I139 HydrophobicContact CG1-CD1 3.96Å; V66-I139 HydrophobicContact CG1-CG2 4.19Å; V66-I139 HydrophobicContact CG2-CD1 3.52Å; V66-I139 HydrophobicContact CG2-CG1 4.29Å; L78-I139 HydrophobicContact CD1-CG2 4.2Å; L78-I139 HydrophobicContact CD2-CB 4.28Å; L78-I139 HydrophobicContact CD2-CD1 4.38Å; L78-I139 HydrophobicContact CD2-CG2 4.03Å; V80-I139 HydrophobicContact CG2-CD1 4.17Å; A129-I139 HydrophobicContact CB-CG2 4.12Å; R130-I139 WeakPolarHBondContact O-CA 3.4Å; I139-T141 HydrophobicContact CG2-CG2 4.05Å; I139-V150 CarbonylContact O-C 3.58Å; I139-V150 WeakPolarHBondContact O-CA 3.28Å; I139-F151 PolarHBondContact N-O 2.83Å; I139-F151 PolarHBondContact O-N 2.93Å; I139-Y153 HydrophobicContact CD1-CD1 3.56Å; I139-Y153 HydrophobicContact CD1-CE1 4.15Å; I139-Y153 HydrophobicContact CD1-CG 4.49Å; I139-Y153 HydrophobicContact CG1-CD1 4.13Å
140	A	98.8	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.7	165.3	0	0	0	0	0	109.9	A129 R130 V148 L149 V150 L182 W184 L192	A129-A140 WeakPolarHBondContact CA-O 3.35Å; R130-A140 PolarHBondContact N-O 2.96Å; R130-A140 PolarHBondContact O-N 3.16Å; A140-V148 HydrophobicContact CB-CG1 4.16Å; A140-L149 CarbonylContact C-O 3.57Å; A140-L149 WeakPolarHBondContact CA-O 3.29Å; A140-V150 HydrophobicContact CB-CG2 4.25Å; A140-L182 HydrophobicContact CB-CD1 4.29Å; A140-L182 HydrophobicContact CB-CD2 3.94Å; A140-L182 HydrophobicContact CB-CG 4.46Å; A140-L182 VanDerWaalsContact O-CD2 3.28Å; A140-L182 WeakPolarHBondContact O-CD2 3.34Å; A140-W184 HydrophobicContact CB-CH2 4.38Å; A140-W184 HydrophobicContact CB-CZ2 3.43Å; A140-W184 VanDerWaalsContact CB-CZ2 3.43Å; A140-L192 HydrophobicContact CB-CD1 4.06Å; A140-L192 HydrophobicContact CB-CD2 3.59Å
141	T	98.8	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.7	-178.2	53.8	0	0	0	0	111.7	L78 H122 V126 R128 A129 I139 V148 L149 F151	L78-T141 HydrophobicContact CD1-CG2 3.91Å; L78-T141 HydrophobicContact CD2-CG2 3.99Å; L78-T141 HydrophobicContact CG-CG2 4.44Å; H122-T141 PolarHBondContact NE2-OG1 3.31Å; V126-T141 HydrophobicContact CG1-CG2 4.05Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 WeakPolarHBondContact O-CA 3.2Å; A129-T141 HydrophobicContact CB-CG2 3.91Å; I139-T141 HydrophobicContact CG2-CG2 4.05Å; T141-V148 WeakPolarHBondContact O-CA 3.44Å; T141-V148 VanDerWaalsContact O-CG1 3.28Å; T141-V148 WeakPolarHBondContact O-CG1 3.21Å; T141-L149 PolarHBondContact N-O 2.9Å; T141-L149 PolarHBondContact O-N 2.83Å; T141-L149 WeakPolarHBondContact OG1-CB 3.06Å; T141-L149 PolarHBondContact OG1-O 2.94Å; T141-F151 HydrophobicContact CG2-CD2 4.4Å; T141-F151 HydrophobicContact CG2-CE2 4.39Å; T141-F151 WeakPolarHBondContact OG1-CE2 3.22Å
142	K	98.5	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.6	165.4	-70	-68.2	-65.2	-168	0	109.4	N127 R128 V148 G179 L182 A195	N127-K142 HydrophobicContact CB-CB 3.88Å; N127-K142 PolarHBondContact N-O 3.13Å; N127-K142 VanDerWaalsContact N-O 3.14Å; R128-K142 HydrophobicContact CB-CB 4.07Å; R128-K142 HydrophobicContact CB-CG 4.07Å; R128-K142 PolarHBondContact O-N 3.09Å; K142-V148 HydrophobicContact CD-CG2 3.99Å; K142-G179 WeakPolarHBondContact CB-O 3.32Å; K142-G179 WeakPolarHBondContact CE-O 3.22Å; K142-L182 HydrophobicContact CD-CD1 4.36Å; K142-L182 HydrophobicContact CG-CB 4.22Å; K142-L182 HydrophobicContact CG-CD1 4.3Å; K142-L182 HydrophobicContact CG-CD2 4.46Å; K142-A195 PolarHBondContact NZ-O 3.43Å
143	T	96.2	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.			trans	-122.2	169	-179.8	74.6	0	0	0	0	109	H122 S145 D147 L149 E178	H122-T143 VanDerWaalsContact CE1-CG2 3.45Å; H122-T143 WeakPolarHBondContact CE1-CG2 3.46Å; T143-S145 PolarHBondContact O-N 2.97Å; T143-S145 VanDerWaalsContact O-N 3.15Å; T143-S145 WeakPolarHBondContact OG1-CB 3.35Å; T143-S145 PolarHBondContact OG1-N 3.17Å; T143-S145 VanDerWaalsContact OG1-N 3.07Å; T143-S145 PolarHBondContact OG1-O 2.83Å; T143-S145 PolarHBondContact OG1-OG 3.02Å; T143-D147 PolarHBondContact OG1-O 2.84Å; T143-L149 HydrophobicContact CG2-CD1 3.75Å; T143-L149 HydrophobicContact CG2-CG 3.67Å; T143-E178 WeakPolarHBondContact O-CB 3.22Å
144	P	96.5	Very high	97.6	Very high	41 Å²	41	23.9 Å²	23.9	27%	0.266	14%	0.135	S	C	.	.	S	Bend	trans	-72.9	2.7	170.5	-13.9	32.7	0	0	0	112.4	E123 E125	E123-P144 WeakPolarHBondContact O-CD 3.28Å; E125-P144 HydrophobicContact CG-CG 3.69Å; E125-P144 WeakPolarHBondContact O-CD 3.33Å; E125-P144 WeakPolarHBondContact OE1-CG 3.41Å; E125-P144 WeakPolarHBondContact OE2-CG 3.4Å
145	S	95.9	Very high	97.4	Very high	44 Å²	44	27.2 Å²	27.2	31%	0.308	15%	0.148	S	C	.	.	S	Bend	trans	-103.4	179.3	173	84.5	0	0	0	0	111	T143 D147 E178	T143-S145 PolarHBondContact O-N 2.97Å; T143-S145 VanDerWaalsContact O-N 3.15Å; T143-S145 WeakPolarHBondContact OG1-CB 3.35Å; T143-S145 PolarHBondContact OG1-N 3.17Å; T143-S145 VanDerWaalsContact OG1-N 3.07Å; T143-S145 PolarHBondContact OG1-O 2.83Å; T143-S145 PolarHBondContact OG1-OG 3.02Å; S145-D147 VanDerWaalsContact C-N 3.32Å; S145-D147 PolarHBondContact O-N 3.19Å; S145-D147 PolarHBondContact OG-N 2.85Å; S145-E178 WeakPolarHBondContact O-CA 3.44Å
146	S	96.9	Very high	97.2	Very high	36 Å²	36	26.3 Å²	26.3	25%	0.252	14%	0.142	S	C	.	.	S	Bend	trans	-70.3	-24.4	179.3	59.2	0	0	0	0	114.9	H175 K177	S146-H175 WeakPolarHBondContact CB-O 3.44Å; S146-H175 WeakPolarHBondContact O-CB 3.35Å; S146-K177 WeakPolarHBondContact CA-O 3.22Å
147	D	97.2	Very high	96.8	Very high	14 Å²	14	28.8 Å²	28.8	8%	0.075	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-90.2	146.7	-168.3	-65.8	-11.1	0	0	0	111.7	T143 S145 L149 R171	T143-D147 PolarHBondContact OG1-O 2.84Å; S145-D147 VanDerWaalsContact C-N 3.32Å; S145-D147 PolarHBondContact O-N 3.19Å; S145-D147 PolarHBondContact OG-N 2.85Å; D147-L149 HydrophobicContact CB-CD2 4.43Å; D147-R171 HydrophobicContact CB-CG 3.89Å; D147-R171 WeakPolarHBondContact OD2-CD 3.14Å; D147-R171 VanDerWaalsContact OD2-CG 3.29Å; D147-R171 WeakPolarHBondContact OD2-CG 3.19Å; D147-R171 IonicContact OD2-CZ 3.81Å; D147-R171 IonicContact OD2-NE 3.87Å; D147-R171 IonicContact OD2-NH1 3.53Å; D147-R171 PolarHBondContact OD2-NH1 2.97Å
148	V	98.5	Very high	96.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.3	167.7	-176.2	0	0	0	0	107.9	A140 T141 K142 L172 L182 L192 W204	A140-V148 HydrophobicContact CB-CG1 4.16Å; T141-V148 WeakPolarHBondContact O-CA 3.44Å; T141-V148 VanDerWaalsContact O-CG1 3.28Å; T141-V148 WeakPolarHBondContact O-CG1 3.21Å; K142-V148 HydrophobicContact CD-CG2 3.99Å; V148-L172 HydrophobicContact CB-CB 4.06Å; V148-L172 HydrophobicContact CB-CD1 4.15Å; V148-L172 HydrophobicContact CB-CG 4.31Å; V148-L172 HydrophobicContact CG1-CD1 4.1Å; V148-L172 PolarHBondContact N-O 2.99Å; V148-L172 VanDerWaalsContact N-O 3.13Å; V148-L172 PolarHBondContact O-N 3.35Å; V148-L182 HydrophobicContact CG1-CD1 3.95Å; V148-L192 HydrophobicContact CG1-CD2 3.93Å; V148-W204 HydrophobicContact CG2-CH2 3.83Å; V148-W204 HydrophobicContact CG2-CZ2 4.47Å; V148-W204 HydrophobicContact CG2-CZ3 4.2Å
149	L	98.5	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.4	179.6	-53.3	-174	0	0	0	110.1	E123 A140 T141 T143 D147 F151 P168 R171	E123-L149 HydrophobicContact CB-CD1 4.35Å; A140-L149 CarbonylContact C-O 3.57Å; A140-L149 WeakPolarHBondContact CA-O 3.29Å; T141-L149 PolarHBondContact N-O 2.9Å; T141-L149 PolarHBondContact O-N 2.83Å; T141-L149 WeakPolarHBondContact OG1-CB 3.06Å; T141-L149 PolarHBondContact OG1-O 2.94Å; T143-L149 HydrophobicContact CG2-CD1 3.75Å; T143-L149 HydrophobicContact CG2-CG 3.67Å; D147-L149 HydrophobicContact CB-CD2 4.43Å; L149-F151 HydrophobicContact CB-CD2 4.43Å; L149-F151 HydrophobicContact CB-CE2 3.56Å; L149-F151 HydrophobicContact CB-CZ 3.94Å; L149-F151 HydrophobicContact CD1-CE2 4.34Å; L149-F151 HydrophobicContact CD1-CZ 4.04Å; L149-P168 HydrophobicContact CB-CB 4.01Å; L149-P168 HydrophobicContact CD1-CB 4.49Å; L149-P168 HydrophobicContact CD1-CG 4.44Å; L149-P168 HydrophobicContact CD2-CB 4.28Å; L149-P168 HydrophobicContact CD2-CG 4Å; L149-P168 HydrophobicContact CG-CB 4.48Å; L149-R171 HydrophobicContact CD2-CB 4.4Å; L149-R171 HydrophobicContact CD2-CG 4.17Å
150	V	98.3	Very high	95.9	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.7	176.8	-176.6	0	0	0	0	109.2	I138 I139 A140 D169 L170 L172	I138-V150 HydrophobicContact CG2-CG1 3.41Å; I138-V150 VanDerWaalsContact CG2-CG1 3.41Å; I139-V150 CarbonylContact O-C 3.58Å; I139-V150 WeakPolarHBondContact O-CA 3.28Å; A140-V150 HydrophobicContact CB-CG2 4.25Å; V150-D169 WeakPolarHBondContact O-CA 3.46Å; V150-D169 WeakPolarHBondContact O-CB 3.16Å; V150-D169 PolarHBondContact O-N 2.79Å; V150-L170 HydrophobicContact CB-CB 4.05Å; V150-L170 HydrophobicContact CG2-CB 4.43Å; V150-L170 PolarHBondContact N-O 3.35Å; V150-L170 PolarHBondContact O-N 2.87Å; V150-L170 VanDerWaalsContact O-N 3.1Å; V150-L172 HydrophobicContact CG2-CD1 3.74Å; V150-L172 HydrophobicContact CG2-CD2 4.12Å; V150-L172 HydrophobicContact CG2-CG 3.87Å
151	F	98.1	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.3	179.9	-58.6	-91	0	0	0	109.8	L78 I120 H122 I138 I139 T141 L149 H156 P168 D169	L78-F151 HydrophobicContact CD2-CB 4.2Å; L78-F151 HydrophobicContact CD2-CD2 3.75Å; L78-F151 HydrophobicContact CD2-CE2 4.38Å; L78-F151 HydrophobicContact CD2-CG 4.1Å; I120-F151 HydrophobicContact CD1-CB 4.37Å; I120-F151 HydrophobicContact CG2-CD1 3.79Å; I120-F151 HydrophobicContact CG2-CE1 3.78Å; H122-F151 AromaticContact CD2-CE2 3.99Å; I138-F151 CarbonylContact C-O 3.57Å; I138-F151 WeakPolarHBondContact CA-O 3.3Å; I139-F151 PolarHBondContact N-O 2.83Å; I139-F151 PolarHBondContact O-N 2.93Å; T141-F151 HydrophobicContact CG2-CD2 4.4Å; T141-F151 HydrophobicContact CG2-CE2 4.39Å; T141-F151 WeakPolarHBondContact OG1-CE2 3.22Å; L149-F151 HydrophobicContact CB-CD2 4.43Å; L149-F151 HydrophobicContact CB-CE2 3.56Å; L149-F151 HydrophobicContact CB-CZ 3.94Å; L149-F151 HydrophobicContact CD1-CE2 4.34Å; L149-F151 HydrophobicContact CD1-CZ 4.04Å; F151-H156 AromaticContact CD1-CE1 3.99Å; F151-H156 AromaticContact CD1-NE2 3.83Å; F151-P168 HydrophobicContact CD1-CB 4.29Å; F151-P168 VanDerWaalsContact CE1-CA 3.44Å; F151-P168 HydrophobicContact CE1-CB 3.76Å; F151-P168 HydrophobicContact CE2-CB 4.47Å; F151-P168 HydrophobicContact CZ-CB 3.86Å; F151-D169 WeakPolarHBondContact CA-OD2 3.44Å
152	D	97.1	Very high	95.1	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.102	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	96.5	158.7	177.6	-14.6	0	0	0	107.3	H137 T154 K155 H156 D169	H137-D152 WeakPolarHBondContact O-CA 3.49Å; D152-T154 PolarHBondContact O-N 2.97Å; D152-T154 WeakPolarHBondContact OD1-CB 3.21Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 2.88Å; D152-K155 HydrophobicContact CB-CD 4.14Å; D152-K155 HydrophobicContact CB-CG 4.1Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 3.09Å; D152-K155 WeakPolarHBondContact OD2-CE 3.36Å; D152-K155 IonicContact OD2-NZ 3.52Å; D152-K155 PolarHBondContact OD2-NZ 3.12Å; D152-H156 PolarHBondContact O-CD2 2.77Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; D152-D169 PolarHBondContact N-OD2 3.28Å
153	Y	95.8	Very high	94.9	Very high	16 Å²	16	51.7 Å²	51.7	6%	0.063	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-61.4	-19.4	-168.7	69.1	-107.7	0	0	0	113.4	L49 V80 I118 P136 H137 I139 K155 H156	L49-Y153 HydrophobicContact CD1-CE1 4.21Å; V80-Y153 HydrophobicContact CG2-CD1 4.16Å; V80-Y153 HydrophobicContact CG2-CD2 4.38Å; V80-Y153 HydrophobicContact CG2-CG 4.01Å; I118-Y153 HydrophobicContact CD1-CD2 3.57Å; I118-Y153 HydrophobicContact CD1-CE2 4.16Å; P136-Y153 WeakPolarHBondContact O-CE1 2.94Å; H137-Y153 HydrophobicContact CB-CE1 4.28Å; H137-Y153 AromaticContact ND1-CE1 3.98Å; H137-Y153 AromaticContact ND1-CE2 3.97Å; H137-Y153 AromaticContact ND1-CZ 3.37Å; H137-Y153 PolarHBondContact ND1-OH 2.91Å; H137-Y153 WeakPolarHBondContact O-CD1 3.14Å; H137-Y153 PolarHBondContact O-N 3.3Å; I139-Y153 HydrophobicContact CD1-CD1 3.56Å; I139-Y153 HydrophobicContact CD1-CE1 4.15Å; I139-Y153 HydrophobicContact CD1-CG 4.49Å; I139-Y153 HydrophobicContact CG1-CD1 4.13Å; Y153-K155 VanDerWaalsContact C-N 3.25Å; Y153-K155 PolarHBondContact O-N 3.09Å; Y153-H156 PolarHBondContact O-N 2.6Å
154	T	95.1	Very high	94.6	Very high	78 Å²	78	52.6 Å²	52.6	48%	0.479	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-72.3	-19.4	176.9	71.5	0	0	0	0	113.1	H137 D152	H137-T154 HydrophobicContact CB-CG2 3.85Å; D152-T154 PolarHBondContact O-N 2.97Å; D152-T154 WeakPolarHBondContact OD1-CB 3.21Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 2.88Å
155	K	94.2	Very high	94.5	Very high	141 Å²	141	57.3 Å²	57.3	61%	0.613	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-86.4	-7.7	175.2	-62.2	-170.9	-178.2	105.9	0	113.3	D152 Y153	D152-K155 HydrophobicContact CB-CD 4.14Å; D152-K155 HydrophobicContact CB-CG 4.1Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 3.09Å; D152-K155 WeakPolarHBondContact OD2-CE 3.36Å; D152-K155 IonicContact OD2-NZ 3.52Å; D152-K155 PolarHBondContact OD2-NZ 3.12Å; Y153-K155 VanDerWaalsContact C-N 3.25Å; Y153-K155 PolarHBondContact O-N 3.09Å
156	H	93.6	Very high	94.5	Very high	35 Å²	35	56.1 Å²	56.1	16%	0.162	32%	0.318	C	S	.	.	S	Bend	trans	-99.7	146.7	-178.9	-69	-89.4	0	0	0	111.1	I120 F151 D152 Y153 N167 D169	I120-H156 HydrophobicContact CD1-CB 3.74Å; I120-H156 HydrophobicContact CG1-CB 3.79Å; F151-H156 AromaticContact CD1-CE1 3.99Å; F151-H156 AromaticContact CD1-NE2 3.83Å; D152-H156 PolarHBondContact O-CD2 2.77Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; Y153-H156 PolarHBondContact O-N 2.6Å; H156-N167 PolarHBondContact CE1-O 2.87Å; H156-N167 VanDerWaalsContact CE1-O 3.29Å; H156-D169 IonicContact CD2-OD2 3.71Å; H156-D169 IonicContact NE2-OD2 2.7Å; H156-D169 PolarHBondContact NE2-OD2 3.27Å
157	P	90.9	Very high	94.4	Very high	84 Å²	84	58.7 Å²	58.7	55%	0.545	33%	0.329	S	S	.	.			trans	-64.6	148	173.2	28.6	-34.4	0	0	0	110.8	K159	P157-K159 WeakPolarHBondContact CG-O 3.4Å; P157-K159 PolarHBondContact O-N 3.22Å
158	A	91.3	Very high	94.3	Very high	58 Å²	58	58.5 Å²	58.5	48%	0.479	33%	0.329	S	S	.	.	S	Bend	trans	-58	-34.6	176.9	0	0	0	0	0	113	E117 I118 K119	E117-A158 WeakPolarHBondContact O-CB 3.44Å; I118-A158 WeakPolarHBondContact CA-O 3.19Å; K119-A158 PolarHBondContact N-O 3.32Å; K119-A158 VanDerWaalsContact N-O 3.08Å
159	K	92.8	Very high	94.2	Very high	176 Å²	176	60.4 Å²	60.4	77%	0.765	34%	0.339	S	S	*	.	S	Bend	trans	-101.6	138.6	175.1	-66.9	-175.1	-179.7	-178.1	0	109.9	P157	P157-K159 WeakPolarHBondContact CG-O 3.4Å; P157-K159 PolarHBondContact O-N 3.22Å
160	P	91.4	Very high	94.2	Very high	41 Å²	41	61.7 Å²	61.7	27%	0.266	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-68	152.3	-178.5	25.9	-27.5	0	0	0	110.7	K119 N121	K119-P160 HydrophobicContact CB-CG 4.15Å; K119-P160 WeakPolarHBondContact O-CA 3.38Å; K119-P160 WeakPolarHBondContact O-CB 3.15Å; N121-P160 VanDerWaalsContact OD1-CB 3.25Å; N121-P160 WeakPolarHBondContact OD1-CB 3.35Å
161	D	89.8	Confident	94.1	Very high	88 Å²	88	63.9 Å²	63.9	47%	0.471	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-64.5	127.5	174.8	-168.5	-58.8	0	0	0	109.5	N121 S163 G164	N121-D161 PolarHBondContact ND2-O 3.18Å; D161-S163 VanDerWaalsContact CG-OG 3.24Å; D161-S163 PolarHBondContact O-N 3.49Å; D161-S163 WeakPolarHBondContact OD1-CB 3.45Å; D161-S163 PolarHBondContact OD1-N 3.07Å; D161-S163 PolarHBondContact OD1-OG 2.97Å; D161-G164 PolarHBondContact O-N 2.91Å
162	P	91.6	Very high	94.1	Very high	136 Å²	136	63.9 Å²	63.9	88%	0.883	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.4	179.7	-24.5	34.2	0	0	0	115.2	G164	P162-G164 PolarHBondContact O-N 2.86Å
163	S	92.5	Very high	94.1	Very high	75 Å²	75	68.7 Å²	68.7	52%	0.524	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.7	174.2	61.9	0	0	0	0	113.5	D161 E165	D161-S163 VanDerWaalsContact CG-OG 3.24Å; D161-S163 PolarHBondContact O-N 3.49Å; D161-S163 WeakPolarHBondContact OD1-CB 3.45Å; D161-S163 PolarHBondContact OD1-N 3.07Å; D161-S163 PolarHBondContact OD1-OG 2.97Å; S163-E165 PolarHBondContact O-N 2.97Å; S163-E165 WeakPolarHBondContact OG-CB 3.49Å; S163-E165 PolarHBondContact OG-N 2.8Å
164	G	91.4	Very high	94.2	Very high	19 Å²	19	69 Å²	69	20%	0.196	38%	0.377	C	S	.	.			trans	73.9	3.2	-171.2	0	0	0	0	0	113.6	Q75 N121 D161 P162 C166	Q75-G164 PolarHBondContact OE1-O 3.33Å; Q75-G164 VanDerWaalsContact OE1-O 3.13Å; N121-G164 VanDerWaalsContact ND2-C 3.31Å; N121-G164 WeakPolarHBondContact ND2-CA 3.41Å; D161-G164 PolarHBondContact O-N 2.91Å; P162-G164 PolarHBondContact O-N 2.86Å; G164-C166 PolarHBondContact O-N 2.82Å
165	E	93.5	Very high	94.3	Very high	140 Å²	140	65.7 Å²	65.7	65%	0.654	36%	0.357	S	S	*	.			trans	-65.1	126.3	-178.5	-171.2	176.7	177.6	0	0	110.8	N121 S163	N121-E165 VanDerWaalsContact CB-O 3.3Å; N121-E165 WeakPolarHBondContact CB-O 3.41Å; N121-E165 PolarHBondContact ND2-O 3.06Å; S163-E165 PolarHBondContact O-N 2.97Å; S163-E165 WeakPolarHBondContact OG-CB 3.49Å; S163-E165 PolarHBondContact OG-N 2.8Å
166	C	95.2	Very high	94.5	Very high	18 Å²	18	67.1 Å²	67.1	12%	0.122	37%	0.366	C	S	.	.			trans	-87.3	124.6	172.2	-176.3	0	0	0	0	109.6	N121 E123 G164	N121-C166 PolarHBondContact O-SG 3.08Å; E123-C166 HydrophobicContact CG-CB 3.57Å; G164-C166 PolarHBondContact O-N 2.82Å
167	N	95	Very high	94.7	Very high	90 Å²	90	70.5 Å²	70.5	48%	0.481	38%	0.38	S	S	.	.			trans	-128.7	71.8	-177.8	-177.5	23.9	0	0	0	111.1	H156 K214	H156-N167 PolarHBondContact CE1-O 2.87Å; H156-N167 VanDerWaalsContact CE1-O 3.29Å; N167-K214 PolarHBondContact OD1-NZ 2.97Å
168	P	96.5	Very high	95.1	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.071	37%	0.366	C	S	.	.			trans	-61.3	152.8	-179.6	29	-36.4	0	0	0	111.6	L149 F151 K214	L149-P168 HydrophobicContact CB-CB 4.01Å; L149-P168 HydrophobicContact CD1-CB 4.49Å; L149-P168 HydrophobicContact CD1-CG 4.44Å; L149-P168 HydrophobicContact CD2-CB 4.28Å; L149-P168 HydrophobicContact CD2-CG 4Å; L149-P168 HydrophobicContact CG-CB 4.48Å; F151-P168 HydrophobicContact CD1-CB 4.29Å; F151-P168 VanDerWaalsContact CE1-CA 3.44Å; F151-P168 HydrophobicContact CE1-CB 3.76Å; F151-P168 HydrophobicContact CE2-CB 4.47Å; F151-P168 HydrophobicContact CZ-CB 3.86Å; P168-K214 VanDerWaalsContact O-CD 3.24Å; P168-K214 WeakPolarHBondContact O-CD 3.45Å; P168-K214 PolarHBondContact O-NZ 3.01Å
169	D	96.2	Very high	95.4	Very high	39 Å²	39	66.4 Å²	66.4	21%	0.209	34%	0.343	C	S	.	.	S	Bend	trans	-72.1	-39.9	175.3	-72.6	-83.9	0	0	0	111	V150 F151 D152 H156 K214	V150-D169 WeakPolarHBondContact O-CA 3.46Å; V150-D169 WeakPolarHBondContact O-CB 3.16Å; V150-D169 PolarHBondContact O-N 2.79Å; F151-D169 WeakPolarHBondContact CA-OD2 3.44Å; D152-D169 PolarHBondContact N-OD2 3.28Å; H156-D169 IonicContact CD2-OD2 3.71Å; H156-D169 IonicContact NE2-OD2 2.7Å; H156-D169 PolarHBondContact NE2-OD2 3.27Å; D169-K214 WeakPolarHBondContact O-CD 3.34Å
170	L	97.2	Very high	95.7	Very high	28 Å²	28	61.9 Å²	61.9	15%	0.147	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.5	169.7	-54	168	0	0	0	111	V150 L172 I206 P210 K214 V216	V150-L170 HydrophobicContact CB-CB 4.05Å; V150-L170 HydrophobicContact CG2-CB 4.43Å; V150-L170 PolarHBondContact N-O 3.35Å; V150-L170 PolarHBondContact O-N 2.87Å; V150-L170 VanDerWaalsContact O-N 3.1Å; L170-L172 HydrophobicContact CB-CD2 4.1Å; L170-I206 HydrophobicContact CD1-CB 3.79Å; L170-I206 HydrophobicContact CD1-CD1 4.42Å; L170-I206 HydrophobicContact CD1-CG2 4.22Å; L170-P210 HydrophobicContact CD2-CG 4.33Å; L170-K214 CarbonylContact C-O 3.57Å; L170-K214 WeakPolarHBondContact CA-O 3.37Å; L170-V216 HydrophobicContact CD1-CG2 4.43Å; L170-V216 HydrophobicContact CD2-CG2 4.18Å
171	R	97	Very high	96	Very high	50 Å²	50	60 Å²	60	19%	0.189	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112	170.5	177.7	176.1	-79.6	-90.7	0.1	108.3	E123 D147 L149 K214 I215 V216	E123-R171 IonicContact OE1-CZ 3.66Å; E123-R171 IonicContact OE1-NH2 3.64Å; E123-R171 PolarHBondContact OE1-NH2 3.2Å; E123-R171 IonicContact OE2-CZ 3.29Å; E123-R171 IonicContact OE2-NH1 2.68Å; E123-R171 IonicContact OE2-NH2 2.76Å; E123-R171 PolarHBondContact OE2-NH2 3.36Å; D147-R171 HydrophobicContact CB-CG 3.89Å; D147-R171 WeakPolarHBondContact OD2-CD 3.14Å; D147-R171 VanDerWaalsContact OD2-CG 3.29Å; D147-R171 WeakPolarHBondContact OD2-CG 3.19Å; D147-R171 IonicContact OD2-CZ 3.81Å; D147-R171 IonicContact OD2-NE 3.87Å; D147-R171 IonicContact OD2-NH1 3.53Å; D147-R171 PolarHBondContact OD2-NH1 2.97Å; L149-R171 HydrophobicContact CD2-CB 4.4Å; L149-R171 HydrophobicContact CD2-CG 4.17Å; R171-K214 PolarHBondContact N-O 3.38Å; R171-I215 WeakPolarHBondContact O-CA 3.26Å; R171-V216 PolarHBondContact O-N 3.17Å
172	L	97.9	Very high	96.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.1	-177.6	-41.3	-178.8	0	0	0	109.2	V148 V150 L170 L192 W204 I206 V216	V148-L172 HydrophobicContact CB-CB 4.06Å; V148-L172 HydrophobicContact CB-CD1 4.15Å; V148-L172 HydrophobicContact CB-CG 4.31Å; V148-L172 HydrophobicContact CG1-CD1 4.1Å; V148-L172 PolarHBondContact N-O 2.99Å; V148-L172 VanDerWaalsContact N-O 3.13Å; V148-L172 PolarHBondContact O-N 3.35Å; V150-L172 HydrophobicContact CG2-CD1 3.74Å; V150-L172 HydrophobicContact CG2-CD2 4.12Å; V150-L172 HydrophobicContact CG2-CG 3.87Å; L170-L172 HydrophobicContact CB-CD2 4.1Å; L172-L192 HydrophobicContact CD1-CD2 3.5Å; L172-L192 VanDerWaalsContact CD1-CD2 3.5Å; L172-W204 HydrophobicContact CB-CD2 3.95Å; L172-W204 HydrophobicContact CB-CG 3.99Å; L172-W204 HydrophobicContact CB-CZ2 4.18Å; L172-W204 HydrophobicContact CD1-CB 4.19Å; L172-W204 HydrophobicContact CD1-CD2 4.08Å; L172-W204 HydrophobicContact CD1-CE3 4.33Å; L172-W204 HydrophobicContact CD1-CG 4.02Å; L172-W204 HydrophobicContact CG-CG 4.44Å; L172-I206 HydrophobicContact CD1-CG2 4.26Å; L172-I206 HydrophobicContact CD2-CG2 3.95Å; L172-V216 CarbonylContact C-O 3.56Å; L172-V216 WeakPolarHBondContact CA-O 3.42Å; L172-V216 HydrophobicContact CD2-CB 3.73Å; L172-V216 HydrophobicContact CD2-CG1 4.38Å; L172-V216 HydrophobicContact CD2-CG2 4.11Å
173	R	96.9	Very high	96.8	Very high	120 Å²	120	50.7 Å²	50.7	45%	0.453	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.8	-178.3	-176.7	-177.5	-69.7	168.4	-1.7	109.9	W204 I215 V216 D217 A218	R173-W204 PolarHBondContact O-NE1 2.82Å; R173-I215 HydrophobicContact CB-CG2 4.26Å; R173-V216 PolarHBondContact N-O 2.93Å; R173-D217 CarbonylContact O-C 3.57Å; R173-D217 WeakPolarHBondContact O-CA 3.22Å; R173-A218 PolarHBondContact O-N 3.45Å
174	G	97.2	Very high	97.1	Very high	21 Å²	21	47.7 Å²	47.7	22%	0.216	23%	0.231	C	C	.	.			trans	-179.4	-45.5	175.6	0	0	0	0	0	112.4
175	H	98.4	Very high	97.4	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.042	22%	0.222	C	C	.	.			trans	-76.3	168.6	177.6	-68.8	-62.3	0	0	0	113.1	S146 S194 S196 D198 T200 C202 W204	S146-H175 WeakPolarHBondContact CB-O 3.44Å; S146-H175 WeakPolarHBondContact O-CB 3.35Å; H175-S194 PolarHBondContact CD2-OG 3.26Å; H175-S194 PolarHBondContact NE2-O 2.68Å; H175-S194 PolarHBondContact NE2-OG 2.69Å; H175-S196 WeakPolarHBondContact CE1-CB 3.36Å; H175-S196 WeakPolarHBondContact ND1-CB 3.47Å; H175-D198 WeakPolarHBondContact CA-OD2 3.43Å; H175-D198 VanDerWaalsContact CB-OD2 3.27Å; H175-D198 WeakPolarHBondContact CB-OD2 3.49Å; H175-D198 IonicContact CG-OD2 2.67Å; H175-D198 IonicContact ND1-OD1 2.93Å; H175-D198 PolarHBondContact ND1-OD1 3.32Å; H175-D198 IonicContact ND1-OD2 3.26Å; H175-D198 PolarHBondContact ND1-OD2 2.85Å; H175-D198 VanDerWaalsContact ND1-OD2 3.12Å; H175-T200 PolarHBondContact CE1-O 3.46Å; H175-T200 PolarHBondContact CE1-OG1 3.01Å; H175-T200 PolarHBondContact ND1-OG1 3.48Å; H175-T200 VanDerWaalsContact ND1-OG1 3.12Å; H175-C202 VanDerWaalsContact CE1-SG 3.54Å; H175-W204 AromaticContact CD2-CH2 3.73Å; H175-W204 AromaticContact NE2-CH2 3.85Å
176	Q	98.3	Very high	97.6	Very high	172 Å²	172	42.4 Å²	42.4	80%	0.804	21%	0.207	S	C	*	.	S	Bend	trans	-116.1	-10.2	175.3	-60.8	-179.1	36.6	0	0	113.2	D198	Q176-D198 HydrophobicContact CB-CB 4.12Å; Q176-D198 PolarHBondContact N-OD2 2.8Å
177	K	98.5	Very high	97.7	Very high	106 Å²	106	45 Å²	45	46%	0.461	22%	0.219	S	C	.	.	S	Bend	trans	-143.1	173.2	177.7	-62.2	-171.7	-165.6	162.1	0	110.2	S146 S196 D197 D198	S146-K177 WeakPolarHBondContact CA-O 3.22Å; K177-S196 PolarHBondContact O-OG 3.01Å; K177-D197 HydrophobicContact CB-CB 3.83Å; K177-D197 HydrophobicContact CD-CB 3.77Å; K177-D197 WeakPolarHBondContact CD-O 3.34Å; K177-D197 PolarHBondContact NZ-O 3.11Å; K177-D198 HydrophobicContact CB-CB 4.3Å; K177-D198 HydrophobicContact CG-CB 4.31Å
178	E	98.2	Very high	97.8	Very high	55 Å²	55	43.3 Å²	43.3	26%	0.257	21%	0.21	S	C	.	.			trans	-64.6	-172.1	174.6	69	-178.5	114.8	0	0	113.3	N127 T143 S145 S196 D197	N127-E178 PolarHBondContact ND2-OE2 2.76Å; T143-E178 WeakPolarHBondContact O-CB 3.22Å; S145-E178 WeakPolarHBondContact O-CA 3.44Å; E178-S196 WeakPolarHBondContact O-CA 3.43Å; E178-S196 VanDerWaalsContact O-CB 3.25Å; E178-S196 WeakPolarHBondContact O-CB 3.15Å; E178-S196 PolarHBondContact O-OG 3.07Å; E178-D197 PolarHBondContact O-N 3.25Å
179	G	97.9	Very high	97.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.			trans	168.6	-177.8	170.5	0	0	0	0	0	111.3	K142	K142-G179 WeakPolarHBondContact CB-O 3.32Å; K142-G179 WeakPolarHBondContact CE-O 3.22Å
180	Y	98.1	Very high	98	Very high	82 Å²	82	43.3 Å²	43.3	32%	0.322	21%	0.214	S	C	.	.			trans	-118.6	-36.3	-173.8	-61.2	-88.2	0	0	0	113.7	N127 R128 L182	N127-Y180 HydrophobicContact CB-CD1 3.76Å; N127-Y180 HydrophobicContact CB-CE1 3.87Å; R128-Y180 WeakPolarHBondContact CB-O 3.26Å; R128-Y180 VanDerWaalsContact CG-O 3.26Å; R128-Y180 WeakPolarHBondContact CG-O 3.24Å; R128-Y180 PolarHBondContact NE-O 3.32Å; Y180-L182 PolarHBondContact O-N 3.32Å
181	G	98.4	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.			trans	-62.3	129.4	-179.1	0	0	0	0	0	113.5	S194 A195 E230 D231	G181-S194 CarbonylContact O-C 3.53Å; G181-S194 WeakPolarHBondContact O-CA 3.14Å; G181-S194 VanDerWaalsContact O-CB 3.32Å; G181-S194 WeakPolarHBondContact O-CB 3.32Å; G181-A195 PolarHBondContact O-N 3.37Å; G181-E230 WeakPolarHBondContact CA-O 3.4Å; G181-E230 PolarHBondContact N-O 3.25Å; G181-D231 WeakPolarHBondContact CA-OD1 3.49Å
182	L	98.7	Very high	98.1	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	121.7	-178.6	-169	69.7	0	0	0	110.1	R128 R130 A140 K142 V148 Y180 L192 L193	R128-L182 HydrophobicContact CB-CB 4.26Å; R128-L182 HydrophobicContact CB-CD2 4.5Å; R128-L182 HydrophobicContact CG-CB 3.85Å; R128-L182 HydrophobicContact CG-CD2 4.43Å; R130-L182 HydrophobicContact CB-CD2 4.17Å; R130-L182 HydrophobicContact CB-CG 4.5Å; R130-L182 HydrophobicContact CG-CB 4.42Å; R130-L182 HydrophobicContact CG-CD2 4.29Å; R130-L182 HydrophobicContact CG-CG 4.49Å; A140-L182 HydrophobicContact CB-CD1 4.29Å; A140-L182 HydrophobicContact CB-CD2 3.94Å; A140-L182 HydrophobicContact CB-CG 4.46Å; A140-L182 VanDerWaalsContact O-CD2 3.28Å; A140-L182 WeakPolarHBondContact O-CD2 3.34Å; K142-L182 HydrophobicContact CD-CD1 4.36Å; K142-L182 HydrophobicContact CG-CB 4.22Å; K142-L182 HydrophobicContact CG-CD1 4.3Å; K142-L182 HydrophobicContact CG-CD2 4.46Å; V148-L182 HydrophobicContact CG1-CD1 3.95Å; Y180-L182 PolarHBondContact O-N 3.32Å; L182-L192 HydrophobicContact CD1-CD1 3.83Å; L182-L192 HydrophobicContact CD1-CD2 3.99Å; L182-L192 HydrophobicContact CD1-CG 4.13Å; L182-L192 HydrophobicContact CG-CD1 4.13Å; L182-L193 WeakPolarHBondContact CA-O 3.4Å
183	S	98.8	Very high	98.2	Very high	22 Å²	22	40.6 Å²	40.6	15%	0.154	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	123.8	-176.8	-174.6	0	0	0	0	112.3	L192 L193 V232 W234	S183-L192 WeakPolarHBondContact O-CD1 3.33Å; S183-L193 PolarHBondContact N-O 3.2Å; S183-L193 PolarHBondContact O-N 2.8Å; S183-V232 VanDerWaalsContact CB-O 3.23Å; S183-V232 WeakPolarHBondContact CB-O 3.22Å; S183-W234 PolarHBondContact O-NE1 2.91Å; S183-W234 PolarHBondContact OG-N 2.79Å; S183-W234 VanDerWaalsContact OG-N 3.08Å
184	W	98.8	Very high	98.2	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	143.2	170.1	-71.3	100.9	0	0	0	110.8	R130 M132 P133 I138 A140 S186 L192 I206	R130-W184 PolarHBondContact O-NE1 2.71Å; M132-W184 HydrophobicContact CB-CD2 3.78Å; M132-W184 HydrophobicContact CB-CE3 4.01Å; M132-W184 HydrophobicContact CB-CG 4.22Å; M132-W184 HydrophobicContact CB-CH2 4.41Å; M132-W184 HydrophobicContact CB-CZ2 4.15Å; M132-W184 HydrophobicContact CB-CZ3 4.33Å; M132-W184 HydrophobicContact CG-CD2 3.98Å; M132-W184 HydrophobicContact CG-CE3 3.75Å; M132-W184 HydrophobicContact CG-CG 4.49Å; M132-W184 HydrophobicContact CG-CZ3 4.14Å; M132-W184 HydrophobicContact SD-CE3 4.05Å; M132-W184 HydrophobicContact SD-CH2 4.43Å; M132-W184 HydrophobicContact SD-CZ3 3.88Å; P133-W184 VanDerWaalsContact CD-CB 3.45Å; P133-W184 HydrophobicContact CG-CB 4.31Å; I138-W184 HydrophobicContact CG2-CH2 4.33Å; I138-W184 HydrophobicContact CG2-CZ2 4.24Å; A140-W184 HydrophobicContact CB-CH2 4.38Å; A140-W184 HydrophobicContact CB-CZ2 3.43Å; A140-W184 VanDerWaalsContact CB-CZ2 3.43Å; W184-S186 PolarHBondContact O-N 2.98Å; W184-L192 HydrophobicContact CD2-CB 4.3Å; W184-L192 HydrophobicContact CD2-CD1 3.5Å; W184-L192 HydrophobicContact CD2-CG 4.42Å; W184-L192 HydrophobicContact CE3-CB 3.81Å; W184-L192 HydrophobicContact CE3-CD1 3.94Å; W184-L192 HydrophobicContact CE3-CG 4.41Å; W184-L192 HydrophobicContact CG-CD1 3.75Å; W184-L192 HydrophobicContact CH2-CB 4.25Å; W184-L192 HydrophobicContact CH2-CD1 4.46Å; W184-L192 HydrophobicContact CH2-CD2 4.31Å; W184-L192 HydrophobicContact CZ2-CD1 4.14Å; W184-L192 HydrophobicContact CZ2-CD2 4.34Å; W184-L192 HydrophobicContact CZ3-CB 3.77Å; W184-L192 HydrophobicContact CZ3-CD1 4.38Å; W184-L192 HydrophobicContact CZ3-CG 4.48Å; W184-I206 HydrophobicContact CH2-CD1 3.9Å; W184-I206 HydrophobicContact CH2-CG2 4.35Å; W184-I206 HydrophobicContact CZ3-CD1 4.12Å; W184-I206 HydrophobicContact CZ3-CG1 4.48Å; W184-I206 HydrophobicContact CZ3-CG2 4.47Å
185	N	98.7	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.			trans	-74.7	120.6	174.1	-167.1	-46.9	0	0	0	109.6	Q134 N187 L188 H191 W234 E239	Q134-N185 PolarHBondContact NE2-O 3.39Å; N185-N187 VanDerWaalsContact C-N 3.26Å; N185-N187 PolarHBondContact O-N 2.62Å; N185-N187 WeakPolarHBondContact OD1-CA 3.23Å; N185-N187 WeakPolarHBondContact OD1-CB 3.44Å; N185-N187 PolarHBondContact OD1-N 3.1Å; N185-L188 HydrophobicContact CB-CB 4.38Å; N185-L188 PolarHBondContact OD1-N 2.94Å; N185-H191 HydrophobicContact CB-CB 3.73Å; N185-H191 WeakPolarHBondContact CB-O 3.19Å; N185-H191 PolarHBondContact N-O 3.38Å; N185-W234 VanDerWaalsContact CA-CD1 3.5Å; N185-W234 HydrophobicContact CB-CD2 3.86Å; N185-W234 HydrophobicContact CB-CG 3.96Å; N185-W234 HydrophobicContact CB-CZ2 4.14Å; N185-W234 VanDerWaalsContact N-CD1 3.26Å; N185-W234 WeakPolarHBondContact ND2-CH2 3.33Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.27Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.48Å; N185-E239 PolarHBondContact ND2-O 3.37Å
186	S	97.1	Very high	98.3	Very high	48 Å²	48	33.5 Å²	33.5	34%	0.336	17%	0.169	S	C	.	.	S	Bend	trans	-69.9	-22.4	178.4	-55.7	0	0	0	0	113.5	Q134 W184	Q134-S186 PolarHBondContact NE2-O 3.44Å; W184-S186 PolarHBondContact O-N 2.98Å
187	N	97.7	Very high	98.4	Very high	72 Å²	72	27.1 Å²	27.1	39%	0.385	14%	0.14	S	C	.	.	S	Bend	trans	-99.3	-35.1	-174.4	-61.2	-78.4	0	0	0	112.6	N185 L236 E239	N185-N187 VanDerWaalsContact C-N 3.26Å; N185-N187 PolarHBondContact O-N 2.62Å; N185-N187 WeakPolarHBondContact OD1-CA 3.23Å; N185-N187 WeakPolarHBondContact OD1-CB 3.44Å; N185-N187 PolarHBondContact OD1-N 3.1Å; N187-L236 PolarHBondContact ND2-O 2.96Å; N187-E239 HydrophobicContact CB-CB 3.64Å
188	L	97.6	Very high	98.4	Very high	55 Å²	55	23.3 Å²	23.3	29%	0.288	13%	0.125	S	C	.	.	S	Bend	trans	-112.6	110.5	179.6	-64.6	175.1	0	0	0	111.2	N185 G190 H191 E239	N185-L188 HydrophobicContact CB-CB 4.38Å; N185-L188 PolarHBondContact OD1-N 2.94Å; L188-G190 PolarHBondContact O-N 3.32Å; L188-H191 HydrophobicContact CB-CB 4.21Å; L188-H191 PolarHBondContact O-N 2.79Å; L188-E239 HydrophobicContact CD1-CB 3.9Å; L188-E239 HydrophobicContact CD1-CG 4.42Å; L188-E239 HydrophobicContact CD2-CB 4.46Å; L188-E239 WeakPolarHBondContact CD2-OE2 3.32Å; L188-E239 HydrophobicContact CG-CB 3.8Å
189	S	97.7	Very high	98.4	Very high	50 Å²	50	24 Å²	24	35%	0.35	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.6	176.4	-176.9	0	0	0	0	111.8	H191 N207	S189-H191 PolarHBondContact O-N 3.38Å; S189-H191 PolarHBondContact O-ND1 3.37Å; S189-H191 VanDerWaalsContact O-ND1 3.11Å; S189-N207 PolarHBondContact O-ND2 3.23Å
190	G	97.9	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	5.1	175.6	0	0	0	0	0	116	M132 L188 D205 I206	M132-G190 VanDerWaalsContact SD-CA 3.57Å; M132-G190 PolarHBondContact SD-N 2.81Å; L188-G190 PolarHBondContact O-N 3.32Å; G190-D205 WeakPolarHBondContact O-CA 3.48Å; G190-I206 PolarHBondContact O-N 2.94Å
191	H	98.6	Very high	98.5	Very high	22 Å²	22	21.1 Å²	21.1	10%	0.102	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.5	175.3	-72.3	62.1	0	0	0	110.3	N185 L188 S189 W204 D205 K219 W234	N185-H191 HydrophobicContact CB-CB 3.73Å; N185-H191 WeakPolarHBondContact CB-O 3.19Å; N185-H191 PolarHBondContact N-O 3.38Å; L188-H191 HydrophobicContact CB-CB 4.21Å; L188-H191 PolarHBondContact O-N 2.79Å; S189-H191 PolarHBondContact O-N 3.38Å; S189-H191 PolarHBondContact O-ND1 3.37Å; S189-H191 VanDerWaalsContact O-ND1 3.11Å; H191-W204 WeakPolarHBondContact CA-O 3.4Å; H191-D205 IonicContact CE1-OD1 2.71Å; H191-D205 IonicContact CE1-OD2 3.78Å; H191-D205 PolarHBondContact CE1-OD2 3.31Å; H191-D205 IonicContact NE2-OD2 3.81Å; H191-K219 PolarHBondContact NE2-NZ 3.02Å; H191-W234 HydrophobicContact CB-CZ2 4.31Å
192	L	98.8	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.7	-175.4	-178.9	72.7	0	0	0	110.4	A140 V148 L172 L182 S183 W184 L203 W204	A140-L192 HydrophobicContact CB-CD1 4.06Å; A140-L192 HydrophobicContact CB-CD2 3.59Å; V148-L192 HydrophobicContact CG1-CD2 3.93Å; L172-L192 HydrophobicContact CD1-CD2 3.5Å; L172-L192 VanDerWaalsContact CD1-CD2 3.5Å; L182-L192 HydrophobicContact CD1-CD1 3.83Å; L182-L192 HydrophobicContact CD1-CD2 3.99Å; L182-L192 HydrophobicContact CD1-CG 4.13Å; L182-L192 HydrophobicContact CG-CD1 4.13Å; S183-L192 WeakPolarHBondContact O-CD1 3.33Å; W184-L192 HydrophobicContact CD2-CB 4.3Å; W184-L192 HydrophobicContact CD2-CD1 3.5Å; W184-L192 HydrophobicContact CD2-CG 4.42Å; W184-L192 HydrophobicContact CE3-CB 3.81Å; W184-L192 HydrophobicContact CE3-CD1 3.94Å; W184-L192 HydrophobicContact CE3-CG 4.41Å; W184-L192 HydrophobicContact CG-CD1 3.75Å; W184-L192 HydrophobicContact CH2-CB 4.25Å; W184-L192 HydrophobicContact CH2-CD1 4.46Å; W184-L192 HydrophobicContact CH2-CD2 4.31Å; W184-L192 HydrophobicContact CZ2-CD1 4.14Å; W184-L192 HydrophobicContact CZ2-CD2 4.34Å; W184-L192 HydrophobicContact CZ3-CB 3.77Å; W184-L192 HydrophobicContact CZ3-CD1 4.38Å; W184-L192 HydrophobicContact CZ3-CG 4.48Å; L192-L203 WeakPolarHBondContact O-CA 3.31Å; L192-L203 WeakPolarHBondContact O-CD1 3.18Å; L192-W204 PolarHBondContact N-O 2.86Å; L192-W204 VanDerWaalsContact N-O 3.1Å; L192-W204 PolarHBondContact O-N 3.19Å
193	L	98.9	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.9	167.9	-69.8	167	0	0	0	110.3	L182 S183 V201 C202 L203 V232 W234 F242	L182-L193 WeakPolarHBondContact CA-O 3.4Å; S183-L193 PolarHBondContact N-O 3.2Å; S183-L193 PolarHBondContact O-N 2.8Å; L193-V201 HydrophobicContact CD2-CG1 3.84Å; L193-C202 VanDerWaalsContact CA-O 3.28Å; L193-C202 WeakPolarHBondContact CA-O 3.35Å; L193-L203 HydrophobicContact CD2-CB 3.9Å; L193-L203 HydrophobicContact CD2-CD1 4.08Å; L193-V232 HydrophobicContact CB-CB 4.48Å; L193-V232 HydrophobicContact CB-CG1 3.81Å; L193-V232 HydrophobicContact CB-CG2 3.77Å; L193-V232 HydrophobicContact CD1-CG2 3.68Å; L193-V232 HydrophobicContact CG-CG2 4.21Å; L193-W234 HydrophobicContact CD1-CD2 3.5Å; L193-W234 VanDerWaalsContact CD1-CD2 3.5Å; L193-W234 HydrophobicContact CD1-CE3 4.15Å; L193-W234 HydrophobicContact CD1-CG 3.79Å; L193-W234 HydrophobicContact CD1-CH2 4.35Å; L193-W234 HydrophobicContact CD1-CZ2 3.75Å; L193-W234 VanDerWaalsContact CD1-NE1 3.32Å; L193-W234 HydrophobicContact CD2-CZ2 4.13Å; L193-W234 HydrophobicContact CG-CD2 4.21Å; L193-W234 VanDerWaalsContact CG-CE2 3.42Å; L193-W234 HydrophobicContact CG-CZ2 3.64Å; L193-W234 VanDerWaalsContact CG-NE1 3.3Å; L193-F242 HydrophobicContact CD1-CB 3.43Å; L193-F242 VanDerWaalsContact CD1-CB 3.43Å; L193-F242 HydrophobicContact CD1-CD1 3.87Å; L193-F242 HydrophobicContact CD1-CD2 3.66Å; L193-F242 HydrophobicContact CD1-CE2 4.33Å; L193-F242 HydrophobicContact CD1-CG 3.39Å; L193-F242 HydrophobicContact CD2-CD1 4.35Å; L193-F242 HydrophobicContact CD2-CD2 4.45Å; L193-F242 HydrophobicContact CD2-CE1 4.23Å; L193-F242 HydrophobicContact CD2-CE2 4.33Å; L193-F242 HydrophobicContact CD2-CG 4.46Å; L193-F242 HydrophobicContact CD2-CZ 4.22Å
194	S	98.8	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.6	160.6	67.7	0	0	0	0	112.9	H175 G181 V201 C202 W204	H175-S194 PolarHBondContact CD2-OG 3.26Å; H175-S194 PolarHBondContact NE2-O 2.68Å; H175-S194 PolarHBondContact NE2-OG 2.69Å; G181-S194 CarbonylContact O-C 3.53Å; G181-S194 WeakPolarHBondContact O-CA 3.14Å; G181-S194 VanDerWaalsContact O-CB 3.32Å; G181-S194 WeakPolarHBondContact O-CB 3.32Å; S194-V201 CarbonylContact O-C 3.59Å; S194-V201 VanDerWaalsContact O-CA 3.29Å; S194-V201 WeakPolarHBondContact O-CA 3.49Å; S194-V201 WeakPolarHBondContact O-CG1 3.28Å; S194-C202 PolarHBondContact N-O 3.16Å; S194-C202 PolarHBondContact O-N 2.88Å; S194-W204 WeakPolarHBondContact OG-CH2 3.29Å; S194-W204 WeakPolarHBondContact OG-CZ3 3.39Å
195	A	98.8	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	162	173.4	0	0	0	0	0	110.8	K142 G181 V229 V232	K142-A195 PolarHBondContact NZ-O 3.43Å; G181-A195 PolarHBondContact O-N 3.37Å; A195-V229 HydrophobicContact CB-CB 3.93Å; A195-V229 HydrophobicContact CB-CG1 3.67Å; A195-V229 VanDerWaalsContact CB-O 3.22Å; A195-V229 WeakPolarHBondContact CB-O 3.44Å; A195-V232 HydrophobicContact CB-CB 4.3Å; A195-V232 HydrophobicContact CB-CG1 4.21Å
196	S	98.7	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.			trans	-159.5	154.4	-175.2	178.6	0	0	0	0	114.7	H175 K177 E178 D198 H199 T200 V229	H175-S196 WeakPolarHBondContact CE1-CB 3.36Å; H175-S196 WeakPolarHBondContact ND1-CB 3.47Å; K177-S196 PolarHBondContact O-OG 3.01Å; E178-S196 WeakPolarHBondContact O-CA 3.43Å; E178-S196 VanDerWaalsContact O-CB 3.25Å; E178-S196 WeakPolarHBondContact O-CB 3.15Å; E178-S196 PolarHBondContact O-OG 3.07Å; S196-D198 VanDerWaalsContact CB-OD1 3.29Å; S196-D198 WeakPolarHBondContact CB-OD1 3.45Å; S196-D198 PolarHBondContact O-N 3.47Å; S196-D198 VanDerWaalsContact O-N 3.13Å; S196-D198 VanDerWaalsContact OG-CG 3.27Å; S196-D198 PolarHBondContact OG-N 2.63Å; S196-D198 VanDerWaalsContact OG-N 3.15Å; S196-D198 PolarHBondContact OG-OD1 2.97Å; S196-H199 PolarHBondContact O-N 3.14Å; S196-T200 PolarHBondContact N-O 2.91Å; S196-V229 PolarHBondContact N-O 2.93Å; S196-V229 PolarHBondContact O-N 2.88Å; S196-V229 VanDerWaalsContact O-N 3.12Å
197	D	98.7	Very high	98.2	Very high	39 Å²	39	24.5 Å²	24.5	21%	0.209	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-8.8	167.5	-65.2	36.3	0	0	0	114.6	K177 E178 H199 V228	K177-D197 HydrophobicContact CB-CB 3.83Å; K177-D197 HydrophobicContact CD-CB 3.77Å; K177-D197 WeakPolarHBondContact CD-O 3.34Å; K177-D197 PolarHBondContact NZ-O 3.11Å; E178-D197 PolarHBondContact O-N 3.25Å; D197-H199 PolarHBondContact O-CD2 2.9Å; D197-V228 HydrophobicContact CB-CG1 4.36Å; D197-V228 HydrophobicContact CB-CG2 4.3Å
198	D	98.6	Very high	97.8	Very high	26 Å²	26	25 Å²	25	14%	0.139	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.9	169.7	72.8	11.8	0	0	0	113.6	H175 Q176 K177 S196 T200	H175-D198 WeakPolarHBondContact CA-OD2 3.43Å; H175-D198 VanDerWaalsContact CB-OD2 3.27Å; H175-D198 WeakPolarHBondContact CB-OD2 3.49Å; H175-D198 IonicContact CG-OD2 2.67Å; H175-D198 IonicContact ND1-OD1 2.93Å; H175-D198 PolarHBondContact ND1-OD1 3.32Å; H175-D198 IonicContact ND1-OD2 3.26Å; H175-D198 PolarHBondContact ND1-OD2 2.85Å; H175-D198 VanDerWaalsContact ND1-OD2 3.12Å; Q176-D198 HydrophobicContact CB-CB 4.12Å; Q176-D198 PolarHBondContact N-OD2 2.8Å; K177-D198 HydrophobicContact CB-CB 4.3Å; K177-D198 HydrophobicContact CG-CB 4.31Å; S196-D198 VanDerWaalsContact CB-OD1 3.29Å; S196-D198 WeakPolarHBondContact CB-OD1 3.45Å; S196-D198 PolarHBondContact O-N 3.47Å; S196-D198 VanDerWaalsContact O-N 3.13Å; S196-D198 VanDerWaalsContact OG-CG 3.27Å; S196-D198 PolarHBondContact OG-N 2.63Å; S196-D198 VanDerWaalsContact OG-N 3.15Å; S196-D198 PolarHBondContact OG-OD1 2.97Å; D198-T200 VanDerWaalsContact C-N 3.27Å; D198-T200 VanDerWaalsContact CG-OG1 3.3Å; D198-T200 PolarHBondContact O-N 3.19Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 2.83Å; D198-T200 PolarHBondContact OD1-OG1 2.86Å; D198-T200 PolarHBondContact OD2-OG1 3.28Å
199	H	98.7	Very high	97	Very high	70 Å²	70	23.8 Å²	23.8	32%	0.324	15%	0.147	S	C	.	.	S	Bend	trans	72	16.2	178	-43.7	173.4	0	0	0	113.8	S196 D197 S226 A227 V228 V229	S196-H199 PolarHBondContact O-N 3.14Å; D197-H199 PolarHBondContact O-CD2 2.9Å; H199-S226 PolarHBondContact ND1-O 2.84Å; H199-A227 WeakPolarHBondContact CA-O 3.2Å; H199-A227 WeakPolarHBondContact CB-O 2.83Å; H199-A227 PolarHBondContact CD2-O 2.81Å; H199-A227 VanDerWaalsContact CG-C 3.46Å; H199-A227 VanDerWaalsContact CG-O 3.32Å; H199-V228 PolarHBondContact CD2-N 2.84Å; H199-V229 VanDerWaalsContact C-CG2 3.47Å
200	T	98.8	Very high	96.1	Very high	19 Å²	19	24 Å²	24	12%	0.117	15%	0.147	C	C	.	.			trans	-117.3	159.9	-178.1	75.3	0	0	0	0	112.8	H175 S196 D198 I221 F222 T223	H175-T200 PolarHBondContact CE1-O 3.46Å; H175-T200 PolarHBondContact CE1-OG1 3.01Å; H175-T200 PolarHBondContact ND1-OG1 3.48Å; H175-T200 VanDerWaalsContact ND1-OG1 3.12Å; S196-T200 PolarHBondContact N-O 2.91Å; D198-T200 VanDerWaalsContact C-N 3.27Å; D198-T200 VanDerWaalsContact CG-OG1 3.3Å; D198-T200 PolarHBondContact O-N 3.19Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 2.83Å; D198-T200 PolarHBondContact OD1-OG1 2.86Å; D198-T200 PolarHBondContact OD2-OG1 3.28Å; T200-I221 HydrophobicContact CG2-CG2 4.06Å; T200-F222 VanDerWaalsContact CA-O 3.27Å; T200-F222 WeakPolarHBondContact CA-O 3.46Å; T200-F222 VanDerWaalsContact CB-O 3.32Å; T200-F222 WeakPolarHBondContact CB-O 3.37Å; T200-T223 HydrophobicContact CG2-CG2 3.99Å
201	V	98.9	Very high	94.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.7	163	176.8	0	0	0	0	107.7	L193 S194 I221 F222 V229 V232 F242	L193-V201 HydrophobicContact CD2-CG1 3.84Å; S194-V201 CarbonylContact O-C 3.59Å; S194-V201 VanDerWaalsContact O-CA 3.29Å; S194-V201 WeakPolarHBondContact O-CA 3.49Å; S194-V201 WeakPolarHBondContact O-CG1 3.28Å; V201-I221 CarbonylContact O-C 3.48Å; V201-I221 WeakPolarHBondContact O-CA 3.39Å; V201-F222 HydrophobicContact CB-CB 4.18Å; V201-F222 HydrophobicContact CB-CD2 4.26Å; V201-F222 HydrophobicContact CG1-CD2 4.26Å; V201-F222 PolarHBondContact N-O 3.14Å; V201-F222 VanDerWaalsContact N-O 3.09Å; V201-F222 WeakPolarHBondContact O-CD2 3.33Å; V201-F222 PolarHBondContact O-N 3.31Å; V201-V229 HydrophobicContact CG2-CG1 3.82Å; V201-V232 HydrophobicContact CG1-CG2 3.86Å; V201-F242 HydrophobicContact CG1-CE2 3.93Å; V201-F242 HydrophobicContact CG1-CZ 4.37Å
202	C	98.8	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143	175	-77.5	0	0	0	0	110.9	H175 L193 S194 W204 A218	H175-C202 VanDerWaalsContact CE1-SG 3.54Å; L193-C202 VanDerWaalsContact CA-O 3.28Å; L193-C202 WeakPolarHBondContact CA-O 3.35Å; S194-C202 PolarHBondContact N-O 3.16Å; S194-C202 PolarHBondContact O-N 2.88Å; C202-W204 HydrophobicContact CB-CD2 4.49Å; C202-W204 HydrophobicContact CB-CE3 4.14Å; C202-W204 HydrophobicContact CB-CH2 3.07Å; C202-W204 HydrophobicContact CB-CZ2 3.48Å; C202-W204 VanDerWaalsContact CB-CZ2 3.48Å; C202-W204 HydrophobicContact CB-CZ3 3.42Å; C202-W204 VanDerWaalsContact CB-CZ3 3.42Å; C202-W204 WeakPolarHBondContact O-CZ3 3.41Å; C202-A218 HydrophobicContact CB-CB 4.32Å
203	L	98.7	Very high	93.3	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.2	174.2	169.7	59.6	0	0	0	109.2	L192 L193 A218 K219 A220 F222 W234 T256	L192-L203 WeakPolarHBondContact O-CA 3.31Å; L192-L203 WeakPolarHBondContact O-CD1 3.18Å; L193-L203 HydrophobicContact CD2-CB 3.9Å; L193-L203 HydrophobicContact CD2-CD1 4.08Å; L203-A218 CarbonylContact O-C 3.59Å; L203-K219 WeakPolarHBondContact O-CA 3.41Å; L203-K219 WeakPolarHBondContact O-CB 3.42Å; L203-K219 PolarHBondContact O-N 2.8Å; L203-A220 HydrophobicContact CB-CB 4.25Å; L203-A220 HydrophobicContact CD2-CB 4.43Å; L203-A220 PolarHBondContact N-O 3.4Å; L203-A220 PolarHBondContact O-N 3.29Å; L203-F222 HydrophobicContact CB-CE2 3.94Å; L203-W234 HydrophobicContact CD1-CH2 4.09Å; L203-W234 HydrophobicContact CD1-CZ2 3.55Å; L203-T256 HydrophobicContact CD2-CG2 4.01Å
204	W	98.3	Very high	93.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.7	170.5	-61.3	-96.3	0	0	0	111.6	V148 L172 R173 H175 H191 L192 S194 C202 D217 A218	V148-W204 HydrophobicContact CG2-CH2 3.83Å; V148-W204 HydrophobicContact CG2-CZ2 4.47Å; V148-W204 HydrophobicContact CG2-CZ3 4.2Å; L172-W204 HydrophobicContact CB-CD2 3.95Å; L172-W204 HydrophobicContact CB-CG 3.99Å; L172-W204 HydrophobicContact CB-CZ2 4.18Å; L172-W204 HydrophobicContact CD1-CB 4.19Å; L172-W204 HydrophobicContact CD1-CD2 4.08Å; L172-W204 HydrophobicContact CD1-CE3 4.33Å; L172-W204 HydrophobicContact CD1-CG 4.02Å; L172-W204 HydrophobicContact CG-CG 4.44Å; R173-W204 PolarHBondContact O-NE1 2.82Å; H175-W204 AromaticContact CD2-CH2 3.73Å; H175-W204 AromaticContact NE2-CH2 3.85Å; H191-W204 WeakPolarHBondContact CA-O 3.4Å; L192-W204 PolarHBondContact N-O 2.86Å; L192-W204 VanDerWaalsContact N-O 3.1Å; L192-W204 PolarHBondContact O-N 3.19Å; S194-W204 WeakPolarHBondContact OG-CH2 3.29Å; S194-W204 WeakPolarHBondContact OG-CZ3 3.39Å; C202-W204 HydrophobicContact CB-CD2 4.49Å; C202-W204 HydrophobicContact CB-CE3 4.14Å; C202-W204 HydrophobicContact CB-CH2 3.07Å; C202-W204 HydrophobicContact CB-CZ2 3.48Å; C202-W204 VanDerWaalsContact CB-CZ2 3.48Å; C202-W204 HydrophobicContact CB-CZ3 3.42Å; C202-W204 VanDerWaalsContact CB-CZ3 3.42Å; C202-W204 WeakPolarHBondContact O-CZ3 3.41Å; W204-D217 VanDerWaalsContact CD1-C 3.48Å; W204-A218 VanDerWaalsContact CD1-CA 3.43Å; W204-A218 HydrophobicContact CZ2-CB 4.41Å; W204-A218 VanDerWaalsContact NE1-CA 3.3Å; W204-A218 VanDerWaalsContact NE1-N 3.19Å
205	D	97.5	Very high	93	Very high	33 Å²	33	48.4 Å²	48.4	18%	0.176	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	101.7	164.5	176.8	-3.7	0	0	0	106.9	G190 H191 N207 A208 K219	G190-D205 WeakPolarHBondContact O-CA 3.48Å; H191-D205 IonicContact CE1-OD1 2.71Å; H191-D205 IonicContact CE1-OD2 3.78Å; H191-D205 PolarHBondContact CE1-OD2 3.31Å; H191-D205 IonicContact NE2-OD2 3.81Å; D205-N207 PolarHBondContact O-N 2.9Å; D205-N207 WeakPolarHBondContact OD1-CB 3.15Å; D205-N207 PolarHBondContact OD1-N 3.02Å; D205-A208 WeakPolarHBondContact O-CB 3.39Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 PolarHBondContact OD1-N 3.31Å; D205-K219 HydrophobicContact CB-CD 3.92Å; D205-K219 IonicContact OD2-NZ 3.63Å
206	I	96.8	Very high	92.9	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.082	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-71	-18.6	-175.8	72.1	165.2	0	0	0	112.2	M132 I138 L170 L172 W184 G190 A208 G209	M132-I206 HydrophobicContact SD-CD1 4.44Å; I138-I206 HydrophobicContact CG2-CD1 4.39Å; L170-I206 HydrophobicContact CD1-CB 3.79Å; L170-I206 HydrophobicContact CD1-CD1 4.42Å; L170-I206 HydrophobicContact CD1-CG2 4.22Å; L172-I206 HydrophobicContact CD1-CG2 4.26Å; L172-I206 HydrophobicContact CD2-CG2 3.95Å; W184-I206 HydrophobicContact CH2-CD1 3.9Å; W184-I206 HydrophobicContact CH2-CG2 4.35Å; W184-I206 HydrophobicContact CZ3-CD1 4.12Å; W184-I206 HydrophobicContact CZ3-CG1 4.48Å; W184-I206 HydrophobicContact CZ3-CG2 4.47Å; G190-I206 PolarHBondContact O-N 2.94Å; I206-A208 VanDerWaalsContact C-N 3.31Å; I206-G209 PolarHBondContact O-N 3.03Å
207	N	95.3	Very high	92.8	Very high	103 Å²	103	52.1 Å²	52.1	55%	0.551	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-78.5	-18.5	-179.4	-66.1	-45.1	0	0	0	112.3	S189 D205 G209	S189-N207 PolarHBondContact O-ND2 3.23Å; D205-N207 PolarHBondContact O-N 2.9Å; D205-N207 WeakPolarHBondContact OD1-CB 3.15Å; D205-N207 PolarHBondContact OD1-N 3.02Å; N207-G209 PolarHBondContact O-N 3.4Å; N207-G209 VanDerWaalsContact O-N 3.08Å
208	A	89.3	Confident	92.7	Very high	81 Å²	81	51.4 Å²	51.4	67%	0.669	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.4	-13.8	171.1	0	0	0	0	0	112.6	D205 I206	D205-A208 WeakPolarHBondContact O-CB 3.39Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 PolarHBondContact OD1-N 3.31Å; I206-A208 VanDerWaalsContact C-N 3.31Å
209	G	79.6	Confident	92.6	Very high	31 Å²	31	56 Å²	56	32%	0.32	32%	0.315	S	S	.	.			trans	74.7	155.9	-179.7	0	0	0	0	0	112.5	I206 N207	I206-G209 PolarHBondContact O-N 3.03Å; N207-G209 PolarHBondContact O-N 3.4Å; N207-G209 VanDerWaalsContact O-N 3.08Å
210	P	79.4	Confident	92.5	Very high	54 Å²	54	53.7 Å²	53.7	35%	0.351	31%	0.308	S	S	.	.			trans	-69.7	137.8	175.7	29.2	-33.5	0	0	0	110.6	L170 E212 G213 I215 V216	L170-P210 HydrophobicContact CD2-CG 4.33Å; P210-E212 VanDerWaalsContact C-N 3.34Å; P210-G213 VanDerWaalsContact CB-O 3.31Å; P210-G213 WeakPolarHBondContact CB-O 3.46Å; P210-G213 WeakPolarHBondContact CG-O 3.42Å; P210-I215 WeakPolarHBondContact CA-O 3.3Å; P210-I215 WeakPolarHBondContact CB-O 3.25Å; P210-V216 HydrophobicContact CB-CG2 4.21Å
211	K	73.2	Confident	92.5	Very high	180 Å²	180	56 Å²	56	78%	0.783	32%	0.319	S	S	*	.	S	Bend	trans	-72.7	-32.3	173.8	-68	177.7	-171.1	156.8	0	111.8	I215 D217	K211-I215 PolarHBondContact N-O 2.93Å; K211-D217 IonicContact NZ-OD2 2.93Å; K211-D217 PolarHBondContact NZ-OD2 2.97Å
212	E	76.7	Confident	92.5	Very high	156 Å²	156	56.2 Å²	56.2	73%	0.729	32%	0.32	S	S	*	.	B	Isolated β-bridge	trans	-144.4	123.6	-178.2	-174.5	177.3	-176.7	0	0	109.4	P210 K214 I215	P210-E212 VanDerWaalsContact C-N 3.34Å; E212-K214 PolarHBondContact O-N 3.41Å; E212-K214 VanDerWaalsContact O-N 3.15Å; E212-I215 PolarHBondContact O-N 3.46Å
213	G	87.9	Confident	92.5	Very high	68 Å²	68	59.8 Å²	59.8	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-118.6	178.6	0	0	0	0	0	112.7	P210	P210-G213 VanDerWaalsContact CB-O 3.31Å; P210-G213 WeakPolarHBondContact CB-O 3.46Å; P210-G213 WeakPolarHBondContact CG-O 3.42Å
214	K	94	Very high	92.5	Very high	84 Å²	84	60.6 Å²	60.6	37%	0.365	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	12.6	179.3	-65.7	-177.5	166.6	-168.8	0	113.1	N167 P168 D169 L170 R171 E212	N167-K214 PolarHBondContact OD1-NZ 2.97Å; P168-K214 VanDerWaalsContact O-CD 3.24Å; P168-K214 WeakPolarHBondContact O-CD 3.45Å; P168-K214 PolarHBondContact O-NZ 3.01Å; D169-K214 WeakPolarHBondContact O-CD 3.34Å; L170-K214 CarbonylContact C-O 3.57Å; L170-K214 WeakPolarHBondContact CA-O 3.37Å; R171-K214 PolarHBondContact N-O 3.38Å; E212-K214 PolarHBondContact O-N 3.41Å; E212-K214 VanDerWaalsContact O-N 3.15Å
215	I	95.9	Very high	92.5	Very high	46 Å²	46	61.1 Å²	61.1	24%	0.236	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.6	-171.6	-59.4	169.6	0	0	0	110.7	R171 R173 P210 K211 E212	R171-I215 WeakPolarHBondContact O-CA 3.26Å; R173-I215 HydrophobicContact CB-CG2 4.26Å; P210-I215 WeakPolarHBondContact CA-O 3.3Å; P210-I215 WeakPolarHBondContact CB-O 3.25Å; K211-I215 PolarHBondContact N-O 2.93Å; E212-I215 PolarHBondContact O-N 3.46Å
216	V	96.8	Very high	92.5	Very high	9 Å²	9	63.3 Å²	63.3	6%	0.055	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.4	173.7	-176.2	0	0	0	0	108.7	L170 R171 L172 R173 P210	L170-V216 HydrophobicContact CD1-CG2 4.43Å; L170-V216 HydrophobicContact CD2-CG2 4.18Å; R171-V216 PolarHBondContact O-N 3.17Å; L172-V216 CarbonylContact C-O 3.56Å; L172-V216 WeakPolarHBondContact CA-O 3.42Å; L172-V216 HydrophobicContact CD2-CB 3.73Å; L172-V216 HydrophobicContact CD2-CG1 4.38Å; L172-V216 HydrophobicContact CD2-CG2 4.11Å; R173-V216 PolarHBondContact N-O 2.93Å; P210-V216 HydrophobicContact CB-CG2 4.21Å
217	D	96.4	Very high	92.6	Very high	69 Å²	69	63.6 Å²	63.6	37%	0.369	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	152.4	175.3	-56.1	-54.9	0	0	0	111.3	R173 W204 K211 K219	R173-D217 CarbonylContact O-C 3.57Å; R173-D217 WeakPolarHBondContact O-CA 3.22Å; W204-D217 VanDerWaalsContact CD1-C 3.48Å; K211-D217 IonicContact NZ-OD2 2.93Å; K211-D217 PolarHBondContact NZ-OD2 2.97Å; D217-K219 PolarHBondContact O-N 3.03Å
218	A	97.3	Very high	92.8	Very high	25 Å²	25	59.9 Å²	59.9	21%	0.207	36%	0.358	C	S	.	.			trans	-55.5	130.3	174.5	0	0	0	0	0	111.2	R173 C202 L203 W204 I221	R173-A218 PolarHBondContact O-N 3.45Å; C202-A218 HydrophobicContact CB-CB 4.32Å; L203-A218 CarbonylContact O-C 3.59Å; W204-A218 VanDerWaalsContact CD1-CA 3.43Å; W204-A218 HydrophobicContact CZ2-CB 4.41Å; W204-A218 VanDerWaalsContact NE1-CA 3.3Å; W204-A218 VanDerWaalsContact NE1-N 3.19Å; A218-I221 HydrophobicContact CB-CD1 4.32Å; A218-I221 HydrophobicContact CB-CG1 3.89Å
219	K	96.3	Very high	93.3	Very high	123 Å²	123	56 Å²	56	54%	0.535	33%	0.326	S	S	.	.	S	Bend	trans	-70.3	-37.1	172.6	177.6	176.2	176.1	173.5	0	110.8	H191 L203 D205 D217	H191-K219 PolarHBondContact NE2-NZ 3.02Å; L203-K219 WeakPolarHBondContact O-CA 3.41Å; L203-K219 WeakPolarHBondContact O-CB 3.42Å; L203-K219 PolarHBondContact O-N 2.8Å; D205-K219 HydrophobicContact CB-CD 3.92Å; D205-K219 IonicContact OD2-NZ 3.63Å; D217-K219 PolarHBondContact O-N 3.03Å
220	A	97.8	Very high	94.2	Very high	21 Å²	21	56.4 Å²	56.4	17%	0.174	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	149.3	174.3	0	0	0	0	0	110.9	L203 F222 T261	L203-A220 HydrophobicContact CB-CB 4.25Å; L203-A220 HydrophobicContact CD2-CB 4.43Å; L203-A220 PolarHBondContact N-O 3.4Å; L203-A220 PolarHBondContact O-N 3.29Å; A220-F222 HydrophobicContact CB-CE2 3.95Å; A220-F222 HydrophobicContact CB-CZ 4.04Å; A220-T261 HydrophobicContact CB-CG2 4.14Å
221	I	98.5	Very high	95.1	Very high	66 Å²	66	54.6 Å²	54.6	34%	0.338	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.9	175.3	-52.8	-177.4	0	0	0	107.7	T200 V201 A218 T223 T261	T200-I221 HydrophobicContact CG2-CG2 4.06Å; V201-I221 CarbonylContact O-C 3.48Å; V201-I221 WeakPolarHBondContact O-CA 3.39Å; A218-I221 HydrophobicContact CB-CD1 4.32Å; A218-I221 HydrophobicContact CB-CG1 3.89Å; I221-T223 HydrophobicContact CG2-CG2 4.26Å; I221-T261 WeakPolarHBondContact O-CB 3.47Å; I221-T261 PolarHBondContact O-OG1 2.97Å
222	F	98.7	Very high	96.3	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.3	-178.8	-54.8	-94.2	0	0	0	110.5	T200 V201 L203 A220 F242 W254 T256 T261	T200-F222 VanDerWaalsContact CA-O 3.27Å; T200-F222 WeakPolarHBondContact CA-O 3.46Å; T200-F222 VanDerWaalsContact CB-O 3.32Å; T200-F222 WeakPolarHBondContact CB-O 3.37Å; V201-F222 HydrophobicContact CB-CB 4.18Å; V201-F222 HydrophobicContact CB-CD2 4.26Å; V201-F222 HydrophobicContact CG1-CD2 4.26Å; V201-F222 PolarHBondContact N-O 3.14Å; V201-F222 VanDerWaalsContact N-O 3.09Å; V201-F222 WeakPolarHBondContact O-CD2 3.33Å; V201-F222 PolarHBondContact O-N 3.31Å; L203-F222 HydrophobicContact CB-CE2 3.94Å; A220-F222 HydrophobicContact CB-CE2 3.95Å; A220-F222 HydrophobicContact CB-CZ 4.04Å; F222-F242 AromaticContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD2-CE1 4.42Å; F222-F242 AromaticContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CE1-CE1 4.02Å; F222-F242 AromaticContact CE1-CZ 3.92Å; F222-F242 HydrophobicContact CE1-CZ 3.92Å; F222-F242 AromaticContact CE2-CE1 3.89Å; F222-F242 HydrophobicContact CE2-CE1 3.89Å; F222-F242 AromaticContact CE2-CZ 3.64Å; F222-F242 HydrophobicContact CE2-CZ 3.64Å; F222-F242 AromaticContact CG-CZ 3.91Å; F222-F242 HydrophobicContact CG-CZ 3.91Å; F222-F242 AromaticContact CZ-CE1 3.67Å; F222-F242 HydrophobicContact CZ-CE1 3.67Å; F222-F242 AromaticContact CZ-CZ 3.75Å; F222-F242 HydrophobicContact CZ-CZ 3.75Å; F222-W254 HydrophobicContact CB-CE3 4.29Å; F222-W254 HydrophobicContact CB-CH2 4.03Å; F222-W254 HydrophobicContact CB-CZ2 4.31Å; F222-W254 HydrophobicContact CB-CZ3 4.03Å; F222-W254 HydrophobicContact CD1-CD2 4.13Å; F222-W254 AromaticContact CD1-CE3 3.55Å; F222-W254 HydrophobicContact CD1-CE3 3.55Å; F222-W254 AromaticContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CE1-CE3 4.31Å; F222-W254 HydrophobicContact CG-CE3 4.26Å; F222-W254 HydrophobicContact CG-CZ3 4.42Å; F222-T256 HydrophobicContact CZ-CG2 4.25Å; F222-T261 CarbonylContact C-O 3.44Å; F222-T261 WeakPolarHBondContact CA-O 3.1Å; F222-T261 HydrophobicContact CD1-CG2 4.05Å; F222-T261 HydrophobicContact CE1-CG2 3.96Å; F222-T261 HydrophobicContact CZ-CG2 4.49Å
223	T	98.4	Very high	97.4	Very high	75 Å²	75	39.2 Å²	39.2	46%	0.46	24%	0.24	S	C	.	.			trans	-129.2	34.6	-164.2	48.7	0	0	0	0	112.6	T200 I221 T261	T200-T223 HydrophobicContact CG2-CG2 3.99Å; I221-T223 HydrophobicContact CG2-CG2 4.26Å; T223-T261 PolarHBondContact N-O 3.3Å
224	G	98	Very high	97.9	Very high	24 Å²	24	36.2 Å²	36.2	25%	0.247	21%	0.207	C	C	.	.			trans	-85.4	-33.4	-176.8	0	0	0	0	0	114.9	M252	G224-M252 VanDerWaalsContact C-CE 3.45Å; G224-M252 VanDerWaalsContact O-CE 3.26Å; G224-M252 WeakPolarHBondContact O-CE 3.42Å
225	H	98.6	Very high	98.1	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.056	19%	0.19	C	C	.	.			trans	-74	148.2	-179.9	-75.2	-76.6	0	0	0	111.8	V229 S244 A246 D248 M252	H225-V229 HydrophobicContact CB-CG2 3.75Å; H225-S244 PolarHBondContact CD2-OG 3.21Å; H225-S244 PolarHBondContact NE2-OG 3.43Å; H225-A246 HydrophobicContact CB-CB 4.17Å; H225-A246 WeakPolarHBondContact ND1-CB 3.46Å; H225-D248 IonicContact CE1-OD1 2.99Å; H225-D248 IonicContact CG-OD1 3.04Å; H225-D248 IonicContact ND1-OD1 3.8Å; H225-D248 PolarHBondContact ND1-OD1 2.82Å; H225-D248 IonicContact ND1-OD2 3.78Å; H225-D248 PolarHBondContact ND1-OD2 3.05Å; H225-M252 HydrophobicContact CB-CE 4.36Å; H225-M252 WeakPolarHBondContact ND1-CE 3.25Å
226	S	98.4	Very high	98.2	Very high	79 Å²	79	32.8 Å²	32.8	55%	0.552	19%	0.193	S	C	*	.	S	Bend	trans	-102.2	-2.6	179.5	46.7	0	0	0	0	114.6	H199 D248 K250	H199-S226 PolarHBondContact ND1-O 2.84Å; S226-D248 PolarHBondContact N-OD2 3.21Å; S226-D248 WeakPolarHBondContact OG-CB 3.49Å; S226-D248 PolarHBondContact OG-OD2 2.92Å; S226-D248 VanDerWaalsContact OG-OD2 3.1Å; S226-K250 PolarHBondContact OG-NZ 2.89Å
227	A	98.7	Very high	98.2	Very high	22 Å²	22	36.1 Å²	36.1	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-141.9	-175.9	179.6	0	0	0	0	0	110.1	H199 V229 D247 D248	H199-A227 WeakPolarHBondContact CA-O 3.2Å; H199-A227 WeakPolarHBondContact CB-O 2.83Å; H199-A227 PolarHBondContact CD2-O 2.81Å; H199-A227 VanDerWaalsContact CG-C 3.46Å; H199-A227 VanDerWaalsContact CG-O 3.32Å; A227-V229 PolarHBondContact O-N 2.81Å; A227-D247 HydrophobicContact CB-CB 3.63Å; A227-D248 HydrophobicContact CB-CB 3.95Å
228	V	98.8	Very high	98.3	Very high	24 Å²	24	35.6 Å²	35.6	15%	0.145	21%	0.205	C	C	.	.			trans	-51.8	128	180	175.4	0	0	0	0	110	D197 H199 E230 A246 D247	D197-V228 HydrophobicContact CB-CG1 4.36Å; D197-V228 HydrophobicContact CB-CG2 4.3Å; H199-V228 PolarHBondContact CD2-N 2.84Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.37Å; V228-A246 CarbonylContact O-C 3.57Å; V228-A246 WeakPolarHBondContact O-CA 3.48Å; V228-A246 WeakPolarHBondContact O-CB 3.41Å; V228-D247 HydrophobicContact CB-CB 4.47Å; V228-D247 PolarHBondContact O-N 3.17Å
229	V	98.9	Very high	98.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.5	173.7	-167.9	0	0	0	0	107.1	A195 S196 H199 V201 H225 A227 V245 A246	A195-V229 HydrophobicContact CB-CB 3.93Å; A195-V229 HydrophobicContact CB-CG1 3.67Å; A195-V229 VanDerWaalsContact CB-O 3.22Å; A195-V229 WeakPolarHBondContact CB-O 3.44Å; S196-V229 PolarHBondContact N-O 2.93Å; S196-V229 PolarHBondContact O-N 2.88Å; S196-V229 VanDerWaalsContact O-N 3.12Å; H199-V229 VanDerWaalsContact C-CG2 3.47Å; V201-V229 HydrophobicContact CG2-CG1 3.82Å; H225-V229 HydrophobicContact CB-CG2 3.75Å; A227-V229 PolarHBondContact O-N 2.81Å; V229-V245 WeakPolarHBondContact CG1-O 3.33Å; V229-A246 HydrophobicContact CG2-CB 4.49Å
230	E	98.8	Very high	98.4	Very high	39 Å²	39	34 Å²	34	18%	0.182	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-48.2	-173.9	-72.4	-59	143.8	0	0	111.1	G181 V228 V245	G181-E230 WeakPolarHBondContact CA-O 3.4Å; G181-E230 PolarHBondContact N-O 3.25Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.37Å; E230-V245 PolarHBondContact N-O 3.33Å
231	D	98.8	Very high	98.4	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.08	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.4	-173.7	-162.3	19.9	0	0	0	114	G181 S244 V245 N276 C277 L278	G181-D231 WeakPolarHBondContact CA-OD1 3.49Å; D231-S244 WeakPolarHBondContact O-CA 3.45Å; D231-V245 HydrophobicContact CB-CG2 3.77Å; D231-V245 PolarHBondContact N-O 3.02Å; D231-V245 PolarHBondContact O-N 3.29Å; D231-N276 WeakPolarHBondContact CB-O 3.41Å; D231-C277 WeakPolarHBondContact OD2-CA 3.43Å; D231-L278 HydrophobicContact CB-CD2 3.94Å; D231-L278 WeakPolarHBondContact OD2-CD2 3.35Å; D231-L278 PolarHBondContact OD2-N 3Å
232	V	98.9	Very high	98.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.2	178.3	66.2	0	0	0	0	109.9	S183 L193 A195 V201 F242 G243	S183-V232 VanDerWaalsContact CB-O 3.23Å; S183-V232 WeakPolarHBondContact CB-O 3.22Å; L193-V232 HydrophobicContact CB-CB 4.48Å; L193-V232 HydrophobicContact CB-CG1 3.81Å; L193-V232 HydrophobicContact CB-CG2 3.77Å; L193-V232 HydrophobicContact CD1-CG2 3.68Å; L193-V232 HydrophobicContact CG-CG2 4.21Å; A195-V232 HydrophobicContact CB-CB 4.3Å; A195-V232 HydrophobicContact CB-CG1 4.21Å; V201-V232 HydrophobicContact CG1-CG2 3.86Å; V232-F242 HydrophobicContact CG2-CD2 3.78Å; V232-F242 HydrophobicContact CG2-CE2 4.22Å; V232-G243 WeakPolarHBondContact CA-O 3.16Å; V232-G243 WeakPolarHBondContact CG2-O 3.06Å
233	A	98.8	Very high	98.4	Very high	12 Å²	12	31 Å²	31	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129	178	0	0	0	0	0	110.7	F242 G243 L278 F280	A233-F242 CarbonylContact O-C 3.58Å; A233-F242 VanDerWaalsContact O-CA 3.28Å; A233-F242 WeakPolarHBondContact O-CA 3.12Å; A233-F242 VanDerWaalsContact O-CB 3.27Å; A233-F242 WeakPolarHBondContact O-CB 3.4Å; A233-G243 PolarHBondContact N-O 3.37Å; A233-G243 PolarHBondContact O-N 3.24Å; A233-L278 HydrophobicContact CB-CD1 4.3Å; A233-L278 HydrophobicContact CB-CD2 3.76Å; A233-L278 HydrophobicContact CB-CG 3.79Å; A233-F280 HydrophobicContact CB-CD2 3.96Å; A233-F280 HydrophobicContact CB-CE2 4.12Å; A233-F280 VanDerWaalsContact O-CE2 3.26Å; A233-F280 WeakPolarHBondContact O-CE2 3.28Å
234	W	98.8	Very high	98.4	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	145.4	164.2	-77.7	103.1	0	0	0	111	S183 N185 H191 L193 L203 L236 E239 F242 T256 F280	S183-W234 PolarHBondContact O-NE1 2.91Å; S183-W234 PolarHBondContact OG-N 2.79Å; S183-W234 VanDerWaalsContact OG-N 3.08Å; N185-W234 VanDerWaalsContact CA-CD1 3.5Å; N185-W234 HydrophobicContact CB-CD2 3.86Å; N185-W234 HydrophobicContact CB-CG 3.96Å; N185-W234 HydrophobicContact CB-CZ2 4.14Å; N185-W234 VanDerWaalsContact N-CD1 3.26Å; N185-W234 WeakPolarHBondContact ND2-CH2 3.33Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.27Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.48Å; H191-W234 HydrophobicContact CB-CZ2 4.31Å; L193-W234 HydrophobicContact CD1-CD2 3.5Å; L193-W234 VanDerWaalsContact CD1-CD2 3.5Å; L193-W234 HydrophobicContact CD1-CE3 4.15Å; L193-W234 HydrophobicContact CD1-CG 3.79Å; L193-W234 HydrophobicContact CD1-CH2 4.35Å; L193-W234 HydrophobicContact CD1-CZ2 3.75Å; L193-W234 VanDerWaalsContact CD1-NE1 3.32Å; L193-W234 HydrophobicContact CD2-CZ2 4.13Å; L193-W234 HydrophobicContact CG-CD2 4.21Å; L193-W234 VanDerWaalsContact CG-CE2 3.42Å; L193-W234 HydrophobicContact CG-CZ2 3.64Å; L193-W234 VanDerWaalsContact CG-NE1 3.3Å; L203-W234 HydrophobicContact CD1-CH2 4.09Å; L203-W234 HydrophobicContact CD1-CZ2 3.55Å; W234-L236 PolarHBondContact O-N 2.8Å; W234-E239 VanDerWaalsContact CZ3-O 3.28Å; W234-E239 WeakPolarHBondContact CZ3-O 3.3Å; W234-F242 HydrophobicContact CD2-CB 4.24Å; W234-F242 HydrophobicContact CE3-CB 3.91Å; W234-F242 HydrophobicContact CZ3-CB 4.4Å; W234-F242 HydrophobicContact CZ3-CD1 4.17Å; W234-T256 HydrophobicContact CH2-CG2 3.83Å; W234-T256 HydrophobicContact CZ3-CG2 4.04Å; W234-F280 WeakPolarHBondContact O-CD2 3.41Å
235	H	98.5	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.			trans	-67.3	130.7	165.3	-166.8	-77.3	0	0	0	109.7	L237 H238 L241 F280 E285	H235-L237 PolarHBondContact ND1-N 2.85Å; H235-L237 VanDerWaalsContact ND1-N 3.15Å; H235-L237 PolarHBondContact O-N 2.87Å; H235-H238 HydrophobicContact CB-CB 4.1Å; H235-H238 AromaticContact CE1-CD2 3.3Å; H235-H238 PolarHBondContact CE1-CD2 2.9Å; H235-H238 AromaticContact CE1-CG 3.87Å; H235-H238 AromaticContact CG-CD2 3.98Å; H235-H238 WeakPolarHBondContact ND1-CB 3.18Å; H235-H238 AromaticContact ND1-CD2 3.46Å; H235-H238 PolarHBondContact ND1-CD2 2.87Å; H235-H238 AromaticContact ND1-CG 3.62Å; H235-H238 PolarHBondContact ND1-N 2.79Å; H235-H238 VanDerWaalsContact ND1-N 3.13Å; H235-H238 AromaticContact NE2-CD2 3.73Å; H235-L241 HydrophobicContact CB-CB 3.86Å; H235-L241 WeakPolarHBondContact CB-O 3.48Å; H235-L241 PolarHBondContact N-O 2.89Å; H235-F280 HydrophobicContact CB-CD1 4.48Å; H235-F280 HydrophobicContact CB-CG 4.48Å; H235-F280 AromaticContact CD2-CD1 3.32Å; H235-F280 WeakPolarHBondContact CD2-CD1 3.4Å; H235-F280 AromaticContact CD2-CE1 3.59Å; H235-F280 AromaticContact CD2-CG 3.98Å; H235-E285 PolarHBondContact NE2-O 3.19Å
236	L	97.7	Very high	98.5	Very high	58 Å²	58	25.8 Å²	25.8	30%	0.304	14%	0.143	S	C	.	.	S	Bend	trans	-74	-29.1	-171.4	-61.6	177.5	0	0	0	113	N187 W234 F280 P282	N187-L236 PolarHBondContact ND2-O 2.96Å; W234-L236 PolarHBondContact O-N 2.8Å; L236-F280 WeakPolarHBondContact CD1-O 3.4Å; L236-F280 HydrophobicContact CG-CB 4.45Å; L236-P282 HydrophobicContact CD1-CB 3.74Å; L236-P282 HydrophobicContact CD1-CG 4.47Å
237	L	97.6	Very high	98.5	Very high	80 Å²	80	24.4 Å²	24.4	42%	0.419	13%	0.129	S	C	.	.	S	Bend	trans	-103.7	-3.7	-180	-53.3	174.6	0	0	0	114.5	H235 E285	H235-L237 PolarHBondContact ND1-N 2.85Å; H235-L237 VanDerWaalsContact ND1-N 3.15Å; H235-L237 PolarHBondContact O-N 2.87Å; L237-E285 HydrophobicContact CD1-CB 4.21Å
238	H	97.7	Very high	98.5	Very high	57 Å²	57	24.3 Å²	24.3	26%	0.264	13%	0.126	S	C	.	.			trans	-133	110.1	-174.8	-66.6	-40.5	0	0	0	109.9	H235 S240 L241 E285	H235-H238 HydrophobicContact CB-CB 4.1Å; H235-H238 AromaticContact CE1-CD2 3.3Å; H235-H238 PolarHBondContact CE1-CD2 2.9Å; H235-H238 AromaticContact CE1-CG 3.87Å; H235-H238 AromaticContact CG-CD2 3.98Å; H235-H238 WeakPolarHBondContact ND1-CB 3.18Å; H235-H238 AromaticContact ND1-CD2 3.46Å; H235-H238 PolarHBondContact ND1-CD2 2.87Å; H235-H238 AromaticContact ND1-CG 3.62Å; H235-H238 PolarHBondContact ND1-N 2.79Å; H235-H238 VanDerWaalsContact ND1-N 3.13Å; H235-H238 AromaticContact NE2-CD2 3.73Å; H238-S240 PolarHBondContact O-N 3.39Å; H238-L241 HydrophobicContact CB-CB 4.16Å; H238-L241 HydrophobicContact CB-CD1 4.13Å; H238-L241 HydrophobicContact CB-CG 4.14Å; H238-L241 PolarHBondContact O-N 3.03Å; H238-E285 IonicContact CE1-OE2 3.8Å; H238-E285 IonicContact NE2-OE2 3.57Å
239	E	97.4	Very high	98.5	Very high	103 Å²	103	26.8 Å²	26.8	48%	0.481	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20	-174.5	60.2	174.9	-151	0	0	115.8	N185 N187 L188 W234	N185-E239 PolarHBondContact ND2-O 3.37Å; N187-E239 HydrophobicContact CB-CB 3.64Å; L188-E239 HydrophobicContact CD1-CB 3.9Å; L188-E239 HydrophobicContact CD1-CG 4.42Å; L188-E239 HydrophobicContact CD2-CB 4.46Å; L188-E239 WeakPolarHBondContact CD2-OE2 3.32Å; L188-E239 HydrophobicContact CG-CB 3.8Å; W234-E239 VanDerWaalsContact CZ3-O 3.28Å; W234-E239 WeakPolarHBondContact CZ3-O 3.3Å
240	S	97.8	Very high	98.5	Very high	12 Å²	12	28.7 Å²	28.7	8%	0.084	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-10.5	-171.7	48.6	0	0	0	0	114.1	H238 T256 R257	H238-S240 PolarHBondContact O-N 3.39Å; S240-T256 VanDerWaalsContact CA-OG1 3.27Å; S240-T256 WeakPolarHBondContact CA-OG1 3.28Å; S240-T256 WeakPolarHBondContact CB-OG1 3.48Å; S240-T256 PolarHBondContact O-N 2.87Å; S240-T256 PolarHBondContact O-OG1 3.08Å; S240-R257 PolarHBondContact OG-NE 3.05Å
241	L	98.3	Very high	98.5	Very high	33 Å²	33	26.8 Å²	26.8	17%	0.173	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.4	-176.7	-61.8	-176.3	0	0	0	111.2	H235 H238 W254 D255	H235-L241 HydrophobicContact CB-CB 3.86Å; H235-L241 WeakPolarHBondContact CB-O 3.48Å; H235-L241 PolarHBondContact N-O 2.89Å; H238-L241 HydrophobicContact CB-CB 4.16Å; H238-L241 HydrophobicContact CB-CD1 4.13Å; H238-L241 HydrophobicContact CB-CG 4.14Å; H238-L241 PolarHBondContact O-N 3.03Å; L241-W254 WeakPolarHBondContact CA-O 3.19Å; L241-D255 HydrophobicContact CD2-CB 3.66Å
242	F	98.8	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.7	170.3	70.8	-92	0	0	0	110.5	L193 V201 F222 V232 A233 W234 W254 T256	L193-F242 HydrophobicContact CD1-CB 3.43Å; L193-F242 VanDerWaalsContact CD1-CB 3.43Å; L193-F242 HydrophobicContact CD1-CD1 3.87Å; L193-F242 HydrophobicContact CD1-CD2 3.66Å; L193-F242 HydrophobicContact CD1-CE2 4.33Å; L193-F242 HydrophobicContact CD1-CG 3.39Å; L193-F242 HydrophobicContact CD2-CD1 4.35Å; L193-F242 HydrophobicContact CD2-CD2 4.45Å; L193-F242 HydrophobicContact CD2-CE1 4.23Å; L193-F242 HydrophobicContact CD2-CE2 4.33Å; L193-F242 HydrophobicContact CD2-CG 4.46Å; L193-F242 HydrophobicContact CD2-CZ 4.22Å; V201-F242 HydrophobicContact CG1-CE2 3.93Å; V201-F242 HydrophobicContact CG1-CZ 4.37Å; F222-F242 AromaticContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD2-CE1 4.42Å; F222-F242 AromaticContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CE1-CE1 4.02Å; F222-F242 AromaticContact CE1-CZ 3.92Å; F222-F242 HydrophobicContact CE1-CZ 3.92Å; F222-F242 AromaticContact CE2-CE1 3.89Å; F222-F242 HydrophobicContact CE2-CE1 3.89Å; F222-F242 AromaticContact CE2-CZ 3.64Å; F222-F242 HydrophobicContact CE2-CZ 3.64Å; F222-F242 AromaticContact CG-CZ 3.91Å; F222-F242 HydrophobicContact CG-CZ 3.91Å; F222-F242 AromaticContact CZ-CE1 3.67Å; F222-F242 HydrophobicContact CZ-CE1 3.67Å; F222-F242 AromaticContact CZ-CZ 3.75Å; F222-F242 HydrophobicContact CZ-CZ 3.75Å; V232-F242 HydrophobicContact CG2-CD2 3.78Å; V232-F242 HydrophobicContact CG2-CE2 4.22Å; A233-F242 CarbonylContact O-C 3.58Å; A233-F242 VanDerWaalsContact O-CA 3.28Å; A233-F242 WeakPolarHBondContact O-CA 3.12Å; A233-F242 VanDerWaalsContact O-CB 3.27Å; A233-F242 WeakPolarHBondContact O-CB 3.4Å; W234-F242 HydrophobicContact CD2-CB 4.24Å; W234-F242 HydrophobicContact CE3-CB 3.91Å; W234-F242 HydrophobicContact CZ3-CB 4.4Å; W234-F242 HydrophobicContact CZ3-CD1 4.17Å; F242-W254 HydrophobicContact CD1-CB 3.73Å; F242-W254 HydrophobicContact CD2-CB 4.02Å; F242-W254 AromaticContact CD2-CD1 3.59Å; F242-W254 HydrophobicContact CD2-CG 4.04Å; F242-W254 HydrophobicContact CE1-CB 3.31Å; F242-W254 AromaticContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE2-CB 3.63Å; F242-W254 AromaticContact CE2-CD1 3.13Å; F242-W254 HydrophobicContact CE2-CD2 4.22Å; F242-W254 AromaticContact CE2-CG 3.39Å; F242-W254 HydrophobicContact CE2-CG 3.39Å; F242-W254 AromaticContact CE2-NE1 3.8Å; F242-W254 HydrophobicContact CG-CB 4.07Å; F242-W254 HydrophobicContact CZ-CB 3.25Å; F242-W254 AromaticContact CZ-CD1 3.63Å; F242-W254 HydrophobicContact CZ-CD2 4.03Å; F242-W254 AromaticContact CZ-CG 3.34Å; F242-W254 HydrophobicContact CZ-CG 3.34Å; F242-W254 PolarHBondContact N-O 3.03Å; F242-W254 VanDerWaalsContact N-O 3.15Å; F242-W254 PolarHBondContact O-N 3.41Å; F242-T256 HydrophobicContact CD1-CG2 3.98Å; F242-T256 HydrophobicContact CE1-CG2 3.8Å
243	G	98.8	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.6	173.1	0	0	0	0	0	111	V232 A233 M252	V232-G243 WeakPolarHBondContact CA-O 3.16Å; V232-G243 WeakPolarHBondContact CG2-O 3.06Å; A233-G243 PolarHBondContact N-O 3.37Å; A233-G243 PolarHBondContact O-N 3.24Å; G243-M252 CarbonylContact C-O 3.47Å; G243-M252 VanDerWaalsContact CA-O 3.24Å; G243-M252 WeakPolarHBondContact CA-O 3.42Å
244	S	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.9	167.5	63.5	0	0	0	0	110.9	H225 D231 M252 W254	H225-S244 PolarHBondContact CD2-OG 3.21Å; H225-S244 PolarHBondContact NE2-OG 3.43Å; D231-S244 WeakPolarHBondContact O-CA 3.45Å; S244-M252 PolarHBondContact N-O 2.67Å; S244-M252 PolarHBondContact O-N 3.13Å; S244-W254 PolarHBondContact OG-NE1 3.11Å
245	V	98.9	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154	179.8	-66.4	0	0	0	0	110.4	V229 E230 D231 K250 L251 V275 L278 T290	V229-V245 WeakPolarHBondContact CG1-O 3.33Å; E230-V245 PolarHBondContact N-O 3.33Å; D231-V245 HydrophobicContact CB-CG2 3.77Å; D231-V245 PolarHBondContact N-O 3.02Å; D231-V245 PolarHBondContact O-N 3.29Å; V245-K250 WeakPolarHBondContact CA-O 3.22Å; V245-L251 HydrophobicContact CG1-CB 4.41Å; V245-L251 HydrophobicContact CG1-CD1 3.85Å; V245-V275 CarbonylContact C-O 3.59Å; V245-V275 HydrophobicContact CB-CB 3.81Å; V245-V275 HydrophobicContact CB-CG1 3.49Å; V245-V275 VanDerWaalsContact CB-CG1 3.49Å; V245-V275 WeakPolarHBondContact CB-O 3.42Å; V245-V275 HydrophobicContact CG1-CB 4.26Å; V245-V275 HydrophobicContact CG1-CG1 3.51Å; V245-V275 HydrophobicContact CG2-CG1 4.03Å; V245-V275 WeakPolarHBondContact CG2-O 3.47Å; V245-L278 HydrophobicContact CG1-CB 3.99Å; V245-L278 HydrophobicContact CG1-CD1 4.14Å; V245-L278 HydrophobicContact CG1-CG 4.46Å; V245-L278 HydrophobicContact CG2-CB 4.39Å; V245-L278 HydrophobicContact CG2-CD2 4.04Å; V245-T290 HydrophobicContact CG1-CG2 4.07Å
246	A	98.9	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	170	-166.7	0	0	0	0	0	112.6	H225 V228 V229 D248 Q249 V275	H225-A246 HydrophobicContact CB-CB 4.17Å; H225-A246 WeakPolarHBondContact ND1-CB 3.46Å; V228-A246 CarbonylContact O-C 3.57Å; V228-A246 WeakPolarHBondContact O-CA 3.48Å; V228-A246 WeakPolarHBondContact O-CB 3.41Å; V229-A246 HydrophobicContact CG2-CB 4.49Å; A246-D248 WeakPolarHBondContact CB-OD1 3.32Å; A246-D248 PolarHBondContact O-N 3.24Å; A246-D248 VanDerWaalsContact O-N 3.14Å; A246-Q249 PolarHBondContact O-N 2.95Å; A246-V275 PolarHBondContact N-O 3.4Å; A246-V275 PolarHBondContact O-N 3.27Å
247	D	98.8	Very high	98.3	Very high	50 Å²	50	34.8 Å²	34.8	27%	0.267	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.6	171.3	-78.8	2.1	0	0	0	113.8	A227 V228 Q249 E274	A227-D247 HydrophobicContact CB-CB 3.63Å; V228-D247 HydrophobicContact CB-CB 4.47Å; V228-D247 PolarHBondContact O-N 3.17Å; D247-Q249 PolarHBondContact O-N 2.93Å; D247-Q249 VanDerWaalsContact O-N 3.1Å; D247-E274 HydrophobicContact CB-CG 3.99Å; D247-E274 WeakPolarHBondContact OD1-CG 3.17Å
248	D	98.7	Very high	98.2	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.112	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	8.8	174.7	77.5	-10.3	0	0	0	113.4	H225 S226 A227 A246 K250	H225-D248 IonicContact CE1-OD1 2.99Å; H225-D248 IonicContact CG-OD1 3.04Å; H225-D248 IonicContact ND1-OD1 3.8Å; H225-D248 PolarHBondContact ND1-OD1 2.82Å; H225-D248 IonicContact ND1-OD2 3.78Å; H225-D248 PolarHBondContact ND1-OD2 3.05Å; S226-D248 PolarHBondContact N-OD2 3.21Å; S226-D248 WeakPolarHBondContact OG-CB 3.49Å; S226-D248 PolarHBondContact OG-OD2 2.92Å; S226-D248 VanDerWaalsContact OG-OD2 3.1Å; A227-D248 HydrophobicContact CB-CB 3.95Å; A246-D248 WeakPolarHBondContact CB-OD1 3.32Å; A246-D248 PolarHBondContact O-N 3.24Å; A246-D248 VanDerWaalsContact O-N 3.14Å; D248-K250 WeakPolarHBondContact O-CG 3.47Å; D248-K250 PolarHBondContact O-N 2.61Å; D248-K250 WeakPolarHBondContact OD1-CB 3.48Å; D248-K250 PolarHBondContact OD1-N 2.82Å; D248-K250 IonicContact OD2-NZ 3.3Å; D248-K250 PolarHBondContact OD2-NZ 2.9Å
249	Q	98.7	Very high	97.9	Very high	76 Å²	76	39.1 Å²	39.1	36%	0.355	20%	0.195	S	C	.	.	S	Bend	trans	71.8	11.6	173.6	-44.4	-179.5	-13.5	0	0	113.8	A246 D247 A270 H271 T272 A273	A246-Q249 PolarHBondContact O-N 2.95Å; D247-Q249 PolarHBondContact O-N 2.93Å; D247-Q249 VanDerWaalsContact O-N 3.1Å; Q249-A270 PolarHBondContact O-N 3.41Å; Q249-H271 PolarHBondContact O-N 2.8Å; Q249-T272 PolarHBondContact NE2-O 2.96Å; Q249-A273 WeakPolarHBondContact CG-O 3.14Å
250	K	98.6	Very high	97.8	Very high	40 Å²	40	36.7 Å²	36.7	17%	0.174	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	146.4	-170.7	-60.1	179.3	-153.6	131.9	0	112.8	S226 V245 D248 M252 L267 V268	S226-K250 PolarHBondContact OG-NZ 2.89Å; V245-K250 WeakPolarHBondContact CA-O 3.22Å; D248-K250 WeakPolarHBondContact O-CG 3.47Å; D248-K250 PolarHBondContact O-N 2.61Å; D248-K250 WeakPolarHBondContact OD1-CB 3.48Å; D248-K250 PolarHBondContact OD1-N 2.82Å; D248-K250 IonicContact OD2-NZ 3.3Å; D248-K250 PolarHBondContact OD2-NZ 2.9Å; K250-M252 HydrophobicContact CB-CE 4.42Å; K250-M252 HydrophobicContact CD-CE 4.03Å; K250-L267 HydrophobicContact CB-CD1 4.38Å; K250-L267 HydrophobicContact CD-CD1 3.55Å; K250-L267 HydrophobicContact CD-CG 4.31Å; K250-L267 HydrophobicContact CG-CD1 4.44Å; K250-V268 CarbonylContact C-O 3.57Å; K250-V268 WeakPolarHBondContact CA-O 3.37Å; K250-V268 WeakPolarHBondContact CB-O 3.46Å
251	L	98.8	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.7	158.8	168.9	65.9	0	0	0	108.3	V245 I253 V268 A270 L278 L288 T290 W300 L305	V245-L251 HydrophobicContact CG1-CB 4.41Å; V245-L251 HydrophobicContact CG1-CD1 3.85Å; L251-I253 HydrophobicContact CD1-CD1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.27Å; L251-V268 HydrophobicContact CB-CB 4.25Å; L251-V268 PolarHBondContact N-O 3.42Å; L251-V268 PolarHBondContact O-N 3.19Å; L251-A270 HydrophobicContact CB-CB 3.72Å; L251-L278 HydrophobicContact CD1-CD1 4.04Å; L251-L288 HydrophobicContact CD1-CD1 4.1Å; L251-L288 HydrophobicContact CD2-CD1 3.97Å; L251-T290 HydrophobicContact CD1-CG2 4.19Å; L251-T290 HydrophobicContact CD2-CG2 4.27Å; L251-W300 HydrophobicContact CD2-CD2 4.34Å; L251-W300 HydrophobicContact CD2-CG 4.26Å; L251-L305 HydrophobicContact CD2-CD2 4.38Å
252	M	98.7	Very high	97.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.1	172.7	-64	-165.2	-168	0	0	110.5	G224 H225 G243 S244 K250 W254 P264 H266 L267	G224-M252 VanDerWaalsContact C-CE 3.45Å; G224-M252 VanDerWaalsContact O-CE 3.26Å; G224-M252 WeakPolarHBondContact O-CE 3.42Å; H225-M252 HydrophobicContact CB-CE 4.36Å; H225-M252 WeakPolarHBondContact ND1-CE 3.25Å; G243-M252 CarbonylContact C-O 3.47Å; G243-M252 VanDerWaalsContact CA-O 3.24Å; G243-M252 WeakPolarHBondContact CA-O 3.42Å; S244-M252 PolarHBondContact N-O 2.67Å; S244-M252 PolarHBondContact O-N 3.13Å; K250-M252 HydrophobicContact CB-CE 4.42Å; K250-M252 HydrophobicContact CD-CE 4.03Å; M252-W254 HydrophobicContact CB-CZ2 4.01Å; M252-W254 HydrophobicContact CG-CZ2 4.4Å; M252-W254 HydrophobicContact SD-CH2 4.11Å; M252-W254 HydrophobicContact SD-CZ2 3.5Å; M252-W254 VanDerWaalsContact SD-CZ2 3.5Å; M252-P264 HydrophobicContact CB-CB 3.95Å; M252-P264 HydrophobicContact CB-CG 4.31Å; M252-P264 HydrophobicContact CG-CB 4.33Å; M252-P264 HydrophobicContact CG-CG 4.13Å; M252-P264 HydrophobicContact SD-CB 4.22Å; M252-P264 HydrophobicContact SD-CG 3.77Å; M252-H266 WeakPolarHBondContact CA-O 3.16Å; M252-L267 HydrophobicContact CE-CD1 3.28Å; M252-L267 HydrophobicContact CG-CD1 3.67Å; M252-L267 HydrophobicContact SD-CD1 3.9Å
253	I	98.6	Very high	97.6	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.5	171.7	-52.4	-60.2	0	0	0	108.8	L251 P264 S265 H266 F280 L288 L302 L305	L251-I253 HydrophobicContact CD1-CD1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.27Å; I253-P264 WeakPolarHBondContact O-CB 3.18Å; I253-S265 WeakPolarHBondContact O-CA 3.47Å; I253-S265 WeakPolarHBondContact O-CB 3.28Å; I253-S265 PolarHBondContact O-N 3.33Å; I253-H266 HydrophobicContact CB-CB 4.01Å; I253-H266 HydrophobicContact CG1-CB 4.14Å; I253-H266 PolarHBondContact N-O 3.18Å; I253-H266 PolarHBondContact O-N 2.99Å; I253-H266 VanDerWaalsContact O-N 3.16Å; I253-F280 HydrophobicContact CD1-CE1 4.49Å; I253-F280 HydrophobicContact CD1-CZ 4.1Å; I253-L288 HydrophobicContact CD1-CD1 4.14Å; I253-L302 HydrophobicContact CD1-CD2 3.8Å; I253-L302 HydrophobicContact CG1-CD2 3.85Å; I253-L302 HydrophobicContact CG2-CD2 4.47Å; I253-L305 HydrophobicContact CG1-CD1 3.84Å
254	W	98.7	Very high	97.5	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145	-173.5	-56.5	89.4	0	0	0	110.5	F222 L241 F242 S244 M252 T261 P264	F222-W254 HydrophobicContact CB-CE3 4.29Å; F222-W254 HydrophobicContact CB-CH2 4.03Å; F222-W254 HydrophobicContact CB-CZ2 4.31Å; F222-W254 HydrophobicContact CB-CZ3 4.03Å; F222-W254 HydrophobicContact CD1-CD2 4.13Å; F222-W254 AromaticContact CD1-CE3 3.55Å; F222-W254 HydrophobicContact CD1-CE3 3.55Å; F222-W254 AromaticContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CE1-CE3 4.31Å; F222-W254 HydrophobicContact CG-CE3 4.26Å; F222-W254 HydrophobicContact CG-CZ3 4.42Å; L241-W254 WeakPolarHBondContact CA-O 3.19Å; F242-W254 HydrophobicContact CD1-CB 3.73Å; F242-W254 HydrophobicContact CD2-CB 4.02Å; F242-W254 AromaticContact CD2-CD1 3.59Å; F242-W254 HydrophobicContact CD2-CG 4.04Å; F242-W254 HydrophobicContact CE1-CB 3.31Å; F242-W254 AromaticContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE2-CB 3.63Å; F242-W254 AromaticContact CE2-CD1 3.13Å; F242-W254 HydrophobicContact CE2-CD2 4.22Å; F242-W254 AromaticContact CE2-CG 3.39Å; F242-W254 HydrophobicContact CE2-CG 3.39Å; F242-W254 AromaticContact CE2-NE1 3.8Å; F242-W254 HydrophobicContact CG-CB 4.07Å; F242-W254 HydrophobicContact CZ-CB 3.25Å; F242-W254 AromaticContact CZ-CD1 3.63Å; F242-W254 HydrophobicContact CZ-CD2 4.03Å; F242-W254 AromaticContact CZ-CG 3.34Å; F242-W254 HydrophobicContact CZ-CG 3.34Å; F242-W254 PolarHBondContact N-O 3.03Å; F242-W254 VanDerWaalsContact N-O 3.15Å; F242-W254 PolarHBondContact O-N 3.41Å; S244-W254 PolarHBondContact OG-NE1 3.11Å; M252-W254 HydrophobicContact CB-CZ2 4.01Å; M252-W254 HydrophobicContact CG-CZ2 4.4Å; M252-W254 HydrophobicContact SD-CH2 4.11Å; M252-W254 HydrophobicContact SD-CZ2 3.5Å; M252-W254 VanDerWaalsContact SD-CZ2 3.5Å; W254-T261 WeakPolarHBondContact CZ3-O 3.34Å; W254-P264 HydrophobicContact CD2-CB 3.91Å; W254-P264 HydrophobicContact CE3-CB 3.88Å; W254-P264 HydrophobicContact CH2-CB 4.06Å; W254-P264 HydrophobicContact CH2-CG 4.46Å; W254-P264 HydrophobicContact CZ2-CB 4.09Å; W254-P264 HydrophobicContact CZ3-CB 3.95Å
255	D	98	Very high	97.4	Very high	29 Å²	29	51.5 Å²	51.5	16%	0.155	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.2	169.9	-171.4	-24.4	0	0	0	108.8	L241 R257 S258	L241-D255 HydrophobicContact CD2-CB 3.66Å; D255-R257 PolarHBondContact O-N 3.1Å; D255-R257 VanDerWaalsContact O-N 3.14Å; D255-R257 WeakPolarHBondContact OD1-CB 3.41Å; D255-R257 WeakPolarHBondContact OD1-CG 3.33Å; D255-R257 IonicContact OD1-CZ 3.48Å; D255-R257 PolarHBondContact OD1-N 3.18Å; D255-R257 IonicContact OD1-NE 3.81Å; D255-R257 PolarHBondContact OD1-NE 3.36Å; D255-R257 IonicContact OD1-NH2 2.76Å; D255-R257 IonicContact OD2-CZ 3.78Å; D255-R257 IonicContact OD2-NE 3.72Å; D255-R257 PolarHBondContact OD2-NE 3.14Å; D255-R257 VanDerWaalsContact OD2-NE 3.16Å; D255-R257 IonicContact OD2-NH2 2.69Å; D255-R257 PolarHBondContact OD2-NH2 3.06Å; D255-S258 WeakPolarHBondContact O-CB 2.96Å; D255-S258 PolarHBondContact O-N 2.99Å
256	T	97.7	Very high	97.4	Very high	47 Å²	47	55.8 Å²	55.8	29%	0.288	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.3	-179.4	54.7	0	0	0	0	113.8	L203 F222 W234 S240 F242 S258	L203-T256 HydrophobicContact CD2-CG2 4.01Å; F222-T256 HydrophobicContact CZ-CG2 4.25Å; W234-T256 HydrophobicContact CH2-CG2 3.83Å; W234-T256 HydrophobicContact CZ3-CG2 4.04Å; S240-T256 VanDerWaalsContact CA-OG1 3.27Å; S240-T256 WeakPolarHBondContact CA-OG1 3.28Å; S240-T256 WeakPolarHBondContact CB-OG1 3.48Å; S240-T256 PolarHBondContact O-N 2.87Å; S240-T256 PolarHBondContact O-OG1 3.08Å; F242-T256 HydrophobicContact CD1-CG2 3.98Å; F242-T256 HydrophobicContact CE1-CG2 3.8Å; T256-S258 VanDerWaalsContact C-N 3.27Å
257	R	96.9	Very high	97.3	Very high	172 Å²	172	61 Å²	61	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.7	172	-55.3	170.6	-63.4	-178.7	0.8	112.2	S240 D255	S240-R257 PolarHBondContact OG-NE 3.05Å; D255-R257 PolarHBondContact O-N 3.1Å; D255-R257 VanDerWaalsContact O-N 3.14Å; D255-R257 WeakPolarHBondContact OD1-CB 3.41Å; D255-R257 WeakPolarHBondContact OD1-CG 3.33Å; D255-R257 IonicContact OD1-CZ 3.48Å; D255-R257 PolarHBondContact OD1-N 3.18Å; D255-R257 IonicContact OD1-NE 3.81Å; D255-R257 PolarHBondContact OD1-NE 3.36Å; D255-R257 IonicContact OD1-NH2 2.76Å; D255-R257 IonicContact OD2-CZ 3.78Å; D255-R257 IonicContact OD2-NE 3.72Å; D255-R257 PolarHBondContact OD2-NE 3.14Å; D255-R257 VanDerWaalsContact OD2-NE 3.16Å; D255-R257 IonicContact OD2-NH2 2.69Å; D255-R257 PolarHBondContact OD2-NH2 3.06Å
258	S	95.1	Very high	97.2	Very high	51 Å²	51	59.2 Å²	59.2	36%	0.357	31%	0.31	S	S	.	.	S	Bend	trans	-65.7	142.7	174.1	-177.3	0	0	0	0	111	D255 T256 T260	D255-S258 WeakPolarHBondContact O-CB 2.96Å; D255-S258 PolarHBondContact O-N 2.99Å; T256-S258 VanDerWaalsContact C-N 3.27Å; S258-T260 PolarHBondContact O-N 2.88Å; S258-T260 WeakPolarHBondContact OG-CG2 3.26Å; S258-T260 PolarHBondContact OG-N 2.87Å; S258-T260 PolarHBondContact OG-O 3.46Å
259	N	91.4	Very high	97.2	Very high	177 Å²	177	64.6 Å²	64.6	95%	0.947	34%	0.339	S	S	*	.	S	Bend	trans	-79	2.5	176.1	-66.7	-37.6	0	0	0	113.4
260	T	95	Very high	97.2	Very high	52 Å²	52	61.1 Å²	61.1	32%	0.319	32%	0.323	S	S	.	.			trans	-129.4	138.8	179.1	178.6	0	0	0	0	111.1	S258 S262 K263	S258-T260 PolarHBondContact O-N 2.88Å; S258-T260 WeakPolarHBondContact OG-CG2 3.26Å; S258-T260 PolarHBondContact OG-N 2.87Å; S258-T260 PolarHBondContact OG-O 3.46Å; T260-S262 PolarHBondContact OG1-N 3.38Å; T260-S262 PolarHBondContact OG1-OG 2.96Å; T260-S262 VanDerWaalsContact OG1-OG 3.11Å; T260-K263 HydrophobicContact CG2-CB 3.97Å
261	T	96.7	Very high	97.2	Very high	52 Å²	52	59.7 Å²	59.7	32%	0.319	32%	0.317	S	S	.	.	S	Bend	trans	-104.6	-2.7	174.3	65	0	0	0	0	112.5	A220 I221 F222 T223 W254	A220-T261 HydrophobicContact CB-CG2 4.14Å; I221-T261 WeakPolarHBondContact O-CB 3.47Å; I221-T261 PolarHBondContact O-OG1 2.97Å; F222-T261 CarbonylContact C-O 3.44Å; F222-T261 WeakPolarHBondContact CA-O 3.1Å; F222-T261 HydrophobicContact CD1-CG2 4.05Å; F222-T261 HydrophobicContact CE1-CG2 3.96Å; F222-T261 HydrophobicContact CZ-CG2 4.49Å; T223-T261 PolarHBondContact N-O 3.3Å; W254-T261 WeakPolarHBondContact CZ3-O 3.34Å
262	S	96.8	Very high	97.2	Very high	73 Å²	73	65.2 Å²	65.2	51%	0.51	35%	0.351	S	S	.	.	S	Bend	trans	-97.8	-8.1	179.6	61.3	0	0	0	0	113.8	T260	T260-S262 PolarHBondContact OG1-N 3.38Å; T260-S262 PolarHBondContact OG1-OG 2.96Å; T260-S262 VanDerWaalsContact OG1-OG 3.11Å
263	K	96.6	Very high	97.2	Very high	150 Å²	150	66 Å²	66	65%	0.652	36%	0.357	S	S	*	.	S	Bend	trans	-128.9	115.6	-179.5	-174.1	-179.7	177.7	-177.2	0	110	T260	T260-K263 HydrophobicContact CG2-CB 3.97Å
264	P	97.7	Very high	97.2	Very high	21 Å²	21	69.4 Å²	69.4	14%	0.136	37%	0.373	C	S	.	.			trans	-71.1	160.4	174.8	33.8	-38.7	0	0	0	111.1	M252 I253 W254 H266 L267	M252-P264 HydrophobicContact CB-CB 3.95Å; M252-P264 HydrophobicContact CB-CG 4.31Å; M252-P264 HydrophobicContact CG-CB 4.33Å; M252-P264 HydrophobicContact CG-CG 4.13Å; M252-P264 HydrophobicContact SD-CB 4.22Å; M252-P264 HydrophobicContact SD-CG 3.77Å; I253-P264 WeakPolarHBondContact O-CB 3.18Å; W254-P264 HydrophobicContact CD2-CB 3.91Å; W254-P264 HydrophobicContact CE3-CB 3.88Å; W254-P264 HydrophobicContact CH2-CB 4.06Å; W254-P264 HydrophobicContact CH2-CG 4.46Å; W254-P264 HydrophobicContact CZ2-CB 4.09Å; W254-P264 HydrophobicContact CZ3-CB 3.95Å; P264-H266 WeakPolarHBondContact CB-O 3.35Å; P264-L267 HydrophobicContact CG-CB 4.21Å; P264-L267 HydrophobicContact CG-CD1 4.39Å
265	S	97	Very high	97.2	Very high	60 Å²	60	69.2 Å²	69.2	42%	0.42	37%	0.372	S	S	.	.	S	Bend	trans	-67.6	-39.8	172.8	-60.2	0	0	0	0	111	I253	I253-S265 WeakPolarHBondContact O-CA 3.47Å; I253-S265 WeakPolarHBondContact O-CB 3.28Å; I253-S265 PolarHBondContact O-N 3.33Å
266	H	97.5	Very high	97.2	Very high	90 Å²	90	68.7 Å²	68.7	42%	0.417	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.4	172.9	-60.3	-88.1	0	0	0	110.9	M252 I253 P264 L305	M252-H266 WeakPolarHBondContact CA-O 3.16Å; I253-H266 HydrophobicContact CB-CB 4.01Å; I253-H266 HydrophobicContact CG1-CB 4.14Å; I253-H266 PolarHBondContact N-O 3.18Å; I253-H266 PolarHBondContact O-N 2.99Å; I253-H266 VanDerWaalsContact O-N 3.16Å; P264-H266 WeakPolarHBondContact CB-O 3.35Å; H266-L305 HydrophobicContact CB-CD1 3.58Å
267	L	97.5	Very high	97.3	Very high	108 Å²	108	66.5 Å²	66.5	57%	0.565	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	122	177.9	-180	69	0	0	0	107.4	K250 M252 P264	K250-L267 HydrophobicContact CB-CD1 4.38Å; K250-L267 HydrophobicContact CD-CD1 3.55Å; K250-L267 HydrophobicContact CD-CG 4.31Å; K250-L267 HydrophobicContact CG-CD1 4.44Å; M252-L267 HydrophobicContact CE-CD1 3.28Å; M252-L267 HydrophobicContact CG-CD1 3.67Å; M252-L267 HydrophobicContact SD-CD1 3.9Å; P264-L267 HydrophobicContact CG-CB 4.21Å; P264-L267 HydrophobicContact CG-CD1 4.39Å
268	V	97.6	Very high	97.3	Very high	13 Å²	13	58.5 Å²	58.5	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130	-170.8	-172.2	0	0	0	0	108.9	K250 L251 A270 W300 L305	K250-V268 CarbonylContact C-O 3.57Å; K250-V268 WeakPolarHBondContact CA-O 3.37Å; K250-V268 WeakPolarHBondContact CB-O 3.46Å; L251-V268 HydrophobicContact CB-CB 4.25Å; L251-V268 PolarHBondContact N-O 3.42Å; L251-V268 PolarHBondContact O-N 3.19Å; V268-A270 PolarHBondContact O-N 3.21Å; V268-A270 VanDerWaalsContact O-N 3.15Å; V268-W300 HydrophobicContact CG1-CE3 4.48Å; V268-W300 HydrophobicContact CG1-CH2 3.82Å; V268-W300 HydrophobicContact CG1-CZ3 3.72Å; V268-L305 WeakPolarHBondContact CG1-O 3.28Å; V268-L305 HydrophobicContact CG2-CB 3.6Å; V268-L305 HydrophobicContact CG2-CD1 3.98Å; V268-L305 HydrophobicContact CG2-CG 4.29Å
269	D	98	Very high	97.5	Very high	135 Å²	135	56.8 Å²	56.8	72%	0.722	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	97.9	163.4	-58.5	-53.7	0	0	0	107.1
270	A	97.9	Very high	97.9	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	27%	0.27	C	S	.	.			trans	-86.9	-41.6	-164	0	0	0	0	0	112.3	Q249 L251 V268 V275 W300 K308	Q249-A270 PolarHBondContact O-N 3.41Å; L251-A270 HydrophobicContact CB-CB 3.72Å; V268-A270 PolarHBondContact O-N 3.21Å; V268-A270 VanDerWaalsContact O-N 3.15Å; A270-V275 HydrophobicContact CB-CG2 4.24Å; A270-W300 HydrophobicContact CB-CH2 4.26Å; A270-W300 HydrophobicContact CB-CZ2 3.73Å; A270-W300 WeakPolarHBondContact O-CZ2 3.45Å; A270-K308 WeakPolarHBondContact O-CE 3.32Å; A270-K308 PolarHBondContact O-NZ 3.32Å
271	H	98.6	Very high	98	Very high	11 Å²	11	46.2 Å²	46.2	5%	0.051	26%	0.256	C	S	.	.			trans	-137.6	174.9	-175.4	-76.1	-96.3	0	0	0	111	Q249 V275 T290 S292 D294 T296 A298	Q249-H271 PolarHBondContact O-N 2.8Å; H271-V275 HydrophobicContact CB-CG2 3.74Å; H271-T290 PolarHBondContact NE2-OG1 3.28Å; H271-S292 WeakPolarHBondContact CB-OG 3.46Å; H271-S292 WeakPolarHBondContact ND1-CB 3.47Å; H271-D294 WeakPolarHBondContact CB-OD2 3.29Å; H271-D294 IonicContact CE1-OD1 3.41Å; H271-D294 IonicContact CG-OD1 3.63Å; H271-D294 IonicContact CG-OD2 3.01Å; H271-D294 VanDerWaalsContact ND1-CG 3.27Å; H271-D294 IonicContact ND1-OD1 3.58Å; H271-D294 PolarHBondContact ND1-OD1 3.24Å; H271-D294 IonicContact ND1-OD2 3.96Å; H271-D294 PolarHBondContact ND1-OD2 2.7Å; H271-T296 PolarHBondContact CE1-O 2.98Å; H271-T296 PolarHBondContact CE1-OG1 2.87Å; H271-T296 PolarHBondContact ND1-OG1 3.29Å; H271-A298 WeakPolarHBondContact NE2-CB 3.43Å
272	T	98.4	Very high	98.1	Very high	116 Å²	116	45.5 Å²	45.5	71%	0.712	25%	0.252	S	S	*	.	S	Bend	trans	-94.8	-3.2	178.5	58.3	0	0	0	0	113.7	Q249 D294	Q249-T272 PolarHBondContact NE2-O 2.96Å; T272-D294 PolarHBondContact N-OD2 3.06Å; T272-D294 VanDerWaalsContact N-OD2 3.1Å; T272-D294 WeakPolarHBondContact OG1-CB 3.4Å; T272-D294 PolarHBondContact OG1-OD2 3.21Å
273	A	98.7	Very high	98.1	Very high	17 Å²	17	46.6 Å²	46.6	14%	0.14	25%	0.246	C	C	.	.	S	Bend	trans	-141.9	-175.2	174.5	0	0	0	0	0	109.2	Q249 S292 A293 D294	Q249-A273 WeakPolarHBondContact CG-O 3.14Å; A273-S292 PolarHBondContact O-OG 3.03Å; A273-A293 HydrophobicContact CB-CB 3.96Å; A273-D294 HydrophobicContact CB-CB 3.9Å
274	E	98.7	Very high	98.2	Very high	77 Å²	77	41.2 Å²	41.2	36%	0.36	23%	0.226	S	C	.	.			trans	-51.2	136.8	-179.1	-62.7	75.2	-166.7	0	0	111.1	D247 S292 A293	D247-E274 HydrophobicContact CB-CG 3.99Å; D247-E274 WeakPolarHBondContact OD1-CG 3.17Å; E274-S292 CarbonylContact O-C 3.48Å; E274-S292 VanDerWaalsContact O-CA 3.24Å; E274-S292 WeakPolarHBondContact O-CA 3.43Å; E274-S292 VanDerWaalsContact O-CB 3.26Å; E274-S292 WeakPolarHBondContact O-CB 3.23Å; E274-S292 PolarHBondContact O-OG 3.15Å; E274-A293 HydrophobicContact CB-CB 4.09Å; E274-A293 PolarHBondContact O-N 3.07Å
275	V	98.9	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105.9	179.2	-172	0	0	0	0	108.4	V245 A246 A270 H271 T290	V245-V275 CarbonylContact C-O 3.59Å; V245-V275 HydrophobicContact CB-CB 3.81Å; V245-V275 HydrophobicContact CB-CG1 3.49Å; V245-V275 VanDerWaalsContact CB-CG1 3.49Å; V245-V275 WeakPolarHBondContact CB-O 3.42Å; V245-V275 HydrophobicContact CG1-CB 4.26Å; V245-V275 HydrophobicContact CG1-CG1 3.51Å; V245-V275 HydrophobicContact CG2-CG1 4.03Å; V245-V275 WeakPolarHBondContact CG2-O 3.47Å; A246-V275 PolarHBondContact N-O 3.4Å; A246-V275 PolarHBondContact O-N 3.27Å; A270-V275 HydrophobicContact CB-CG2 4.24Å; H271-V275 HydrophobicContact CB-CG2 3.74Å; V275-T290 HydrophobicContact CG1-CG2 4.38Å
276	N	98.8	Very high	98.2	Very high	19 Å²	19	44.2 Å²	44.2	10%	0.102	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-23.7	-165.7	-61.8	-24.6	0	0	0	113.4	D231 G291 A293 I319	D231-N276 WeakPolarHBondContact CB-O 3.41Å; N276-G291 PolarHBondContact N-O 3.43Å; N276-A293 PolarHBondContact ND2-N 2.82Å; N276-I319 VanDerWaalsContact CB-O 3.23Å; N276-I319 WeakPolarHBondContact CB-O 3.36Å; N276-I319 PolarHBondContact ND2-O 3.33Å
277	C	98.8	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	156.6	-174	58.7	0	0	0	0	113	D231 T290 G291 F320 Q321 V322	D231-C277 WeakPolarHBondContact OD2-CA 3.43Å; C277-T290 WeakPolarHBondContact O-CA 3.39Å; C277-G291 PolarHBondContact N-O 3.39Å; C277-G291 PolarHBondContact O-N 2.88Å; C277-G291 VanDerWaalsContact SG-CA 3.55Å; C277-F320 WeakPolarHBondContact CB-O 3.24Å; C277-Q321 VanDerWaalsContact SG-CA 3.58Å; C277-V322 HydrophobicContact CB-CG1 4.26Å; C277-V322 PolarHBondContact SG-N 3.12Å
278	L	98.8	Very high	98.3	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.3	171.7	82.2	173.4	0	0	0	112.8	D231 A233 V245 L251 F280 A289 T290	D231-L278 HydrophobicContact CB-CD2 3.94Å; D231-L278 WeakPolarHBondContact OD2-CD2 3.35Å; D231-L278 PolarHBondContact OD2-N 3Å; A233-L278 HydrophobicContact CB-CD1 4.3Å; A233-L278 HydrophobicContact CB-CD2 3.76Å; A233-L278 HydrophobicContact CB-CG 3.79Å; V245-L278 HydrophobicContact CG1-CB 3.99Å; V245-L278 HydrophobicContact CG1-CD1 4.14Å; V245-L278 HydrophobicContact CG1-CG 4.46Å; V245-L278 HydrophobicContact CG2-CB 4.39Å; V245-L278 HydrophobicContact CG2-CD2 4.04Å; L251-L278 HydrophobicContact CD1-CD1 4.04Å; L278-F280 HydrophobicContact CD1-CE2 4.38Å; L278-A289 CarbonylContact C-O 3.45Å; L278-A289 VanDerWaalsContact CA-O 3.28Å; L278-A289 WeakPolarHBondContact CA-O 3.21Å; L278-T290 HydrophobicContact CB-CG2 3.95Å
279	S	98.8	Very high	98.4	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	129.2	175.6	-157.1	0	0	0	0	112.2	L288 A289 V322 W324	S279-L288 CarbonylContact O-C 3.54Å; S279-L288 VanDerWaalsContact O-CA 3.28Å; S279-L288 WeakPolarHBondContact O-CA 3.33Å; S279-L288 WeakPolarHBondContact O-CB 3.17Å; S279-A289 PolarHBondContact N-O 3.36Å; S279-A289 PolarHBondContact O-N 2.92Å; S279-V322 VanDerWaalsContact CB-O 3.32Å; S279-V322 WeakPolarHBondContact CB-O 3.42Å; S279-W324 PolarHBondContact O-NE1 2.77Å
280	F	98.7	Very high	98.4	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.6	171.7	-71.3	-83.5	0	0	0	110.4	A233 W234 H235 L236 I253 L278 L288 L302	A233-F280 HydrophobicContact CB-CD2 3.96Å; A233-F280 HydrophobicContact CB-CE2 4.12Å; A233-F280 VanDerWaalsContact O-CE2 3.26Å; A233-F280 WeakPolarHBondContact O-CE2 3.28Å; W234-F280 WeakPolarHBondContact O-CD2 3.41Å; H235-F280 HydrophobicContact CB-CD1 4.48Å; H235-F280 HydrophobicContact CB-CG 4.48Å; H235-F280 AromaticContact CD2-CD1 3.32Å; H235-F280 WeakPolarHBondContact CD2-CD1 3.4Å; H235-F280 AromaticContact CD2-CE1 3.59Å; H235-F280 AromaticContact CD2-CG 3.98Å; L236-F280 WeakPolarHBondContact CD1-O 3.4Å; L236-F280 HydrophobicContact CG-CB 4.45Å; I253-F280 HydrophobicContact CD1-CE1 4.49Å; I253-F280 HydrophobicContact CD1-CZ 4.1Å; L278-F280 HydrophobicContact CD1-CE2 4.38Å; F280-L288 HydrophobicContact CD1-CB 3.76Å; F280-L288 HydrophobicContact CD1-CD1 4.33Å; F280-L288 HydrophobicContact CE1-CB 4.06Å; F280-L288 HydrophobicContact CE1-CD1 3.77Å; F280-L288 HydrophobicContact CE1-CD2 4.5Å; F280-L288 HydrophobicContact CE1-CG 4.35Å; F280-L288 HydrophobicContact CG-CB 4.31Å; F280-L288 HydrophobicContact CZ-CD1 4Å; F280-L302 HydrophobicContact CE1-CD1 4.07Å; F280-L302 HydrophobicContact CE1-CD2 4.34Å
281	N	98.5	Very high	98.5	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.153	C	C	.	.			trans	-66.9	132.2	175.6	-177	-79.7	0	0	0	109.8	Y283 S284 I287 W324 E329	N281-Y283 VanDerWaalsContact C-N 3.28Å; N281-Y283 PolarHBondContact O-N 2.67Å; N281-Y283 WeakPolarHBondContact OD1-CA 3.41Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.3Å; N281-Y283 PolarHBondContact OD1-N 2.84Å; N281-S284 PolarHBondContact OD1-N 3.15Å; N281-I287 HydrophobicContact CB-CB 3.89Å; N281-I287 HydrophobicContact CB-CG2 4.05Å; N281-I287 VanDerWaalsContact CB-O 3.3Å; N281-I287 WeakPolarHBondContact CB-O 3.44Å; N281-I287 PolarHBondContact N-O 3.3Å; N281-W324 HydrophobicContact CB-CD2 3.98Å; N281-W324 HydrophobicContact CB-CE3 4.39Å; N281-W324 HydrophobicContact CB-CG 4.38Å; N281-W324 HydrophobicContact CB-CH2 4.49Å; N281-W324 HydrophobicContact CB-CZ2 4.1Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.46Å; N281-E329 PolarHBondContact ND2-O 3.24Å
282	P	97.7	Very high	98.5	Very high	37 Å²	37	28.5 Å²	28.5	24%	0.24	15%	0.15	C	C	.	.	S	Bend	trans	-73.1	-16.7	-177.9	20.4	-25	0	0	0	114.4	L236 W324	L236-P282 HydrophobicContact CD1-CB 3.74Å; L236-P282 HydrophobicContact CD1-CG 4.47Å; P282-W324 VanDerWaalsContact CD-CB 3.47Å; P282-W324 HydrophobicContact CG-CB 4.2Å
283	Y	97.8	Very high	98.5	Very high	96 Å²	96	23.6 Å²	23.6	38%	0.376	12%	0.121	S	C	.	.	S	Bend	trans	-104.6	-27.1	-174.7	-57.7	-88.2	0	0	0	113.1	N281 P326 H327 N328 E329	N281-Y283 VanDerWaalsContact C-N 3.28Å; N281-Y283 PolarHBondContact O-N 2.67Å; N281-Y283 WeakPolarHBondContact OD1-CA 3.41Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.3Å; N281-Y283 PolarHBondContact OD1-N 2.84Å; Y283-P326 PolarHBondContact OH-O 3.33Å; Y283-H327 WeakPolarHBondContact OH-CA 3.5Å; Y283-H327 PolarHBondContact OH-N 3.29Å; Y283-H327 PolarHBondContact OH-O 3.42Å; Y283-N328 PolarHBondContact OH-N 2.74Å; Y283-E329 HydrophobicContact CD1-CB 4.27Å; Y283-E329 HydrophobicContact CD2-CB 3.58Å; Y283-E329 HydrophobicContact CE2-CB 4.14Å; Y283-E329 HydrophobicContact CG-CB 3.62Å
284	S	97.9	Very high	98.5	Very high	36 Å²	36	24.2 Å²	24.2	25%	0.252	12%	0.122	S	C	.	.			trans	-113.7	131.3	-176.5	-179.8	0	0	0	0	112	N281 F286 I287	N281-S284 PolarHBondContact OD1-N 3.15Å; S284-F286 PolarHBondContact O-N 3.33Å; S284-F286 PolarHBondContact OG-N 3.2Å; S284-I287 WeakPolarHBondContact OG-CG1 3.2Å
285	E	97.4	Very high	98.5	Very high	87 Å²	87	24.8 Å²	24.8	41%	0.407	12%	0.124	S	C	.	.	S	Bend	trans	-74.3	-3	176.8	68.3	-178.8	167.3	0	0	114.3	H235 L237 H238	H235-E285 PolarHBondContact NE2-O 3.19Å; L237-E285 HydrophobicContact CD1-CB 4.21Å; H238-E285 IonicContact CE1-OE2 3.8Å; H238-E285 IonicContact NE2-OE2 3.57Å
286	F	98	Very high	98.5	Very high	58 Å²	58	25.6 Å²	25.6	25%	0.254	13%	0.129	S	C	.	.	S	Bend	trans	-120.6	-17.8	-173.5	-57.4	-58.6	0	0	0	114.2	S284 D301 L302 R303	S284-F286 PolarHBondContact O-N 3.33Å; S284-F286 PolarHBondContact OG-N 3.2Å; F286-D301 CarbonylContact O-C 3Å; F286-D301 WeakPolarHBondContact O-CA 3.2Å; F286-L302 PolarHBondContact O-N 2.83Å; F286-R303 HydrophobicContact CB-CG 4.38Å; F286-R303 HydrophobicContact CD1-CG 3.33Å; F286-R303 HydrophobicContact CD2-CG 4.46Å; F286-R303 HydrophobicContact CE1-CG 3.58Å; F286-R303 HydrophobicContact CG-CG 3.81Å; F286-R303 HydrophobicContact CZ-CG 4.25Å
287	I	98.4	Very high	98.5	Very high	28 Å²	28	24.7 Å²	24.7	14%	0.144	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.5	-169.2	-59.5	-61.7	0	0	0	110.4	N281 S284 L299 W300 L309 W324	N281-I287 HydrophobicContact CB-CB 3.89Å; N281-I287 HydrophobicContact CB-CG2 4.05Å; N281-I287 VanDerWaalsContact CB-O 3.3Å; N281-I287 WeakPolarHBondContact CB-O 3.44Å; N281-I287 PolarHBondContact N-O 3.3Å; S284-I287 WeakPolarHBondContact OG-CG1 3.2Å; I287-L299 HydrophobicContact CG2-CD1 3.61Å; I287-L299 HydrophobicContact CG2-CG 4.49Å; I287-W300 WeakPolarHBondContact CA-O 3.32Å; I287-L309 HydrophobicContact CD1-CD1 3.58Å; I287-W324 HydrophobicContact CG2-CH2 3.76Å; I287-W324 HydrophobicContact CG2-CZ2 3.64Å
288	L	98.7	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.5	169.6	71.8	162.4	0	0	0	110.6	L251 I253 S279 F280 W300 L302 L305	L251-L288 HydrophobicContact CD1-CD1 4.1Å; L251-L288 HydrophobicContact CD2-CD1 3.97Å; I253-L288 HydrophobicContact CD1-CD1 4.14Å; S279-L288 CarbonylContact O-C 3.54Å; S279-L288 VanDerWaalsContact O-CA 3.28Å; S279-L288 WeakPolarHBondContact O-CA 3.33Å; S279-L288 WeakPolarHBondContact O-CB 3.17Å; F280-L288 HydrophobicContact CD1-CB 3.76Å; F280-L288 HydrophobicContact CD1-CD1 4.33Å; F280-L288 HydrophobicContact CE1-CB 4.06Å; F280-L288 HydrophobicContact CE1-CD1 3.77Å; F280-L288 HydrophobicContact CE1-CD2 4.5Å; F280-L288 HydrophobicContact CE1-CG 4.35Å; F280-L288 HydrophobicContact CG-CB 4.31Å; F280-L288 HydrophobicContact CZ-CD1 4Å; L288-W300 HydrophobicContact CD2-CB 3.54Å; L288-W300 HydrophobicContact CG-CB 3.94Å; L288-W300 PolarHBondContact N-O 3.03Å; L288-W300 PolarHBondContact O-N 3.1Å; L288-L302 HydrophobicContact CD2-CD2 3.63Å; L288-L302 HydrophobicContact CD2-CG 3.79Å; L288-L305 HydrophobicContact CD2-CD2 4.44Å
289	A	98.8	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.4	175.2	0	0	0	0	0	110.7	L278 S279 V297 A298 V322 W324 L332	L278-A289 CarbonylContact C-O 3.45Å; L278-A289 VanDerWaalsContact CA-O 3.28Å; L278-A289 WeakPolarHBondContact CA-O 3.21Å; S279-A289 PolarHBondContact N-O 3.36Å; S279-A289 PolarHBondContact O-N 2.92Å; A289-V297 HydrophobicContact CB-CG1 4.05Å; A289-A298 CarbonylContact C-O 3.53Å; A289-A298 VanDerWaalsContact CA-O 3.22Å; A289-A298 WeakPolarHBondContact CA-O 3.07Å; A289-V322 HydrophobicContact CB-CG2 3.99Å; A289-W324 HydrophobicContact CB-CZ2 4.1Å; A289-L332 HydrophobicContact CB-CD1 3.89Å
290	T	98.9	Very high	98.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142	172.1	54.5	0	0	0	0	109.9	V245 L251 H271 V275 C277 L278 V297 A298 W300	V245-T290 HydrophobicContact CG1-CG2 4.07Å; L251-T290 HydrophobicContact CD1-CG2 4.19Å; L251-T290 HydrophobicContact CD2-CG2 4.27Å; H271-T290 PolarHBondContact NE2-OG1 3.28Å; V275-T290 HydrophobicContact CG1-CG2 4.38Å; C277-T290 WeakPolarHBondContact O-CA 3.39Å; L278-T290 HydrophobicContact CB-CG2 3.95Å; T290-V297 CarbonylContact O-C 3.59Å; T290-V297 VanDerWaalsContact O-CA 3.22Å; T290-V297 WeakPolarHBondContact O-CA 3.37Å; T290-V297 WeakPolarHBondContact O-CG1 3.05Å; T290-A298 PolarHBondContact N-O 3.44Å; T290-A298 PolarHBondContact O-N 2.86Å; T290-W300 PolarHBondContact OG1-NE1 3.44Å
291	G	98.8	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146	173.4	0	0	0	0	0	111.2	N276 C277	N276-G291 PolarHBondContact N-O 3.43Å; C277-G291 PolarHBondContact N-O 3.39Å; C277-G291 PolarHBondContact O-N 2.88Å; C277-G291 VanDerWaalsContact SG-CA 3.55Å
292	S	98.8	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160.7	-168.7	174.2	0	0	0	0	113.7	H271 A273 E274 D294 K295 T296 I319	H271-S292 WeakPolarHBondContact CB-OG 3.46Å; H271-S292 WeakPolarHBondContact ND1-CB 3.47Å; A273-S292 PolarHBondContact O-OG 3.03Å; E274-S292 CarbonylContact O-C 3.48Å; E274-S292 VanDerWaalsContact O-CA 3.24Å; E274-S292 WeakPolarHBondContact O-CA 3.43Å; E274-S292 VanDerWaalsContact O-CB 3.26Å; E274-S292 WeakPolarHBondContact O-CB 3.23Å; E274-S292 PolarHBondContact O-OG 3.15Å; S292-D294 WeakPolarHBondContact CB-OD1 3.27Å; S292-D294 PolarHBondContact O-N 2.94Å; S292-D294 PolarHBondContact OG-N 3.35Å; S292-D294 PolarHBondContact OG-OD1 2.99Å; S292-K295 PolarHBondContact O-N 3.27Å; S292-K295 VanDerWaalsContact O-N 3.11Å; S292-T296 PolarHBondContact N-O 3.15Å; S292-I319 PolarHBondContact O-N 3.37Å; S292-I319 VanDerWaalsContact O-N 3.11Å
293	A	98.8	Very high	98.4	Very high	13 Å²	13	32.1 Å²	32.1	11%	0.107	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.3	164.3	0	0	0	0	0	113.4	A273 E274 N276 K295 E318	A273-A293 HydrophobicContact CB-CB 3.96Å; E274-A293 HydrophobicContact CB-CB 4.09Å; E274-A293 PolarHBondContact O-N 3.07Å; N276-A293 PolarHBondContact ND2-N 2.82Å; A293-K295 PolarHBondContact O-N 3.29Å; A293-K295 VanDerWaalsContact O-N 3.16Å; A293-E318 HydrophobicContact CB-CB 4.33Å; A293-E318 HydrophobicContact CB-CG 3.85Å
294	D	98.7	Very high	98.3	Very high	30 Å²	30	31.4 Å²	31.4	16%	0.16	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	5.7	170.5	78.9	6.3	0	0	0	113.6	H271 T272 A273 S292 T296	H271-D294 WeakPolarHBondContact CB-OD2 3.29Å; H271-D294 IonicContact CE1-OD1 3.41Å; H271-D294 IonicContact CG-OD1 3.63Å; H271-D294 IonicContact CG-OD2 3.01Å; H271-D294 VanDerWaalsContact ND1-CG 3.27Å; H271-D294 IonicContact ND1-OD1 3.58Å; H271-D294 PolarHBondContact ND1-OD1 3.24Å; H271-D294 IonicContact ND1-OD2 3.96Å; H271-D294 PolarHBondContact ND1-OD2 2.7Å; T272-D294 PolarHBondContact N-OD2 3.06Å; T272-D294 VanDerWaalsContact N-OD2 3.1Å; T272-D294 WeakPolarHBondContact OG1-CB 3.4Å; T272-D294 PolarHBondContact OG1-OD2 3.21Å; A273-D294 HydrophobicContact CB-CB 3.9Å; S292-D294 WeakPolarHBondContact CB-OD1 3.27Å; S292-D294 PolarHBondContact O-N 2.94Å; S292-D294 PolarHBondContact OG-N 3.35Å; S292-D294 PolarHBondContact OG-OD1 2.99Å; D294-T296 PolarHBondContact O-N 2.7Å; D294-T296 WeakPolarHBondContact OD1-CB 3.07Å; D294-T296 PolarHBondContact OD1-N 2.79Å; D294-T296 VanDerWaalsContact OD1-N 3.13Å; D294-T296 PolarHBondContact OD1-OG1 2.69Å
295	K	98.7	Very high	98.3	Very high	89 Å²	89	30.3 Å²	30.3	39%	0.387	14%	0.142	S	C	.	.	S	Bend	trans	72.9	11.5	173.5	-42.1	176.1	175	-156.2	0	113.7	S292 A293 K316	S292-K295 PolarHBondContact O-N 3.27Å; S292-K295 VanDerWaalsContact O-N 3.11Å; A293-K295 PolarHBondContact O-N 3.29Å; A293-K295 VanDerWaalsContact O-N 3.16Å; K295-K316 WeakPolarHBondContact CD-O 3.42Å; K295-K316 PolarHBondContact NZ-O 3.42Å
296	T	98.7	Very high	98.2	Very high	18 Å²	18	34.9 Å²	34.9	11%	0.11	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148	-178.6	74.2	0	0	0	0	112.2	H271 S292 D294 T311 E313 I319	H271-T296 PolarHBondContact CE1-O 2.98Å; H271-T296 PolarHBondContact CE1-OG1 2.87Å; H271-T296 PolarHBondContact ND1-OG1 3.29Å; S292-T296 PolarHBondContact N-O 3.15Å; D294-T296 PolarHBondContact O-N 2.7Å; D294-T296 WeakPolarHBondContact OD1-CB 3.07Å; D294-T296 PolarHBondContact OD1-N 2.79Å; D294-T296 VanDerWaalsContact OD1-N 3.13Å; D294-T296 PolarHBondContact OD1-OG1 2.69Å; T296-T311 HydrophobicContact CG2-CG2 3.82Å; T296-E313 HydrophobicContact CG2-CG 4.13Å; T296-I319 WeakPolarHBondContact O-CD1 3.41Å
297	V	98.9	Very high	98	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130	161.1	-175.5	0	0	0	0	107.5	A289 T290 T311 F312 I319 V322 L332	A289-V297 HydrophobicContact CB-CG1 4.05Å; T290-V297 CarbonylContact O-C 3.59Å; T290-V297 VanDerWaalsContact O-CA 3.22Å; T290-V297 WeakPolarHBondContact O-CA 3.37Å; T290-V297 WeakPolarHBondContact O-CG1 3.05Å; V297-T311 CarbonylContact O-C 3.57Å; V297-T311 WeakPolarHBondContact O-CA 3.47Å; V297-F312 HydrophobicContact CB-CB 4.08Å; V297-F312 HydrophobicContact CB-CD2 3.86Å; V297-F312 HydrophobicContact CB-CG 4.38Å; V297-F312 HydrophobicContact CG1-CD2 3.94Å; V297-F312 PolarHBondContact N-O 3.27Å; V297-F312 WeakPolarHBondContact O-CD2 3.16Å; V297-F312 PolarHBondContact O-N 2.88Å; V297-I319 HydrophobicContact CB-CD1 4.46Å; V297-I319 HydrophobicContact CG2-CD1 3.41Å; V297-I319 VanDerWaalsContact CG2-CD1 3.41Å; V297-V322 HydrophobicContact CG1-CG2 3.96Å; V297-L332 HydrophobicContact CG1-CD1 4.04Å
298	A	98.8	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.1	174.4	0	0	0	0	0	110.9	H271 A289 T290 W300 K308	H271-A298 WeakPolarHBondContact NE2-CB 3.43Å; A289-A298 CarbonylContact C-O 3.53Å; A289-A298 VanDerWaalsContact CA-O 3.22Å; A289-A298 WeakPolarHBondContact CA-O 3.07Å; T290-A298 PolarHBondContact N-O 3.44Å; T290-A298 PolarHBondContact O-N 2.86Å; A298-W300 HydrophobicContact CB-CZ2 3.94Å; A298-K308 HydrophobicContact CB-CD 3.62Å; A298-K308 HydrophobicContact CB-CG 4.04Å
299	L	98.8	Very high	98	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.7	172.5	-169.7	66.7	0	0	0	110.2	I287 K308 L309 H310 F312 W324 L346	I287-L299 HydrophobicContact CG2-CD1 3.61Å; I287-L299 HydrophobicContact CG2-CG 4.49Å; L299-K308 CarbonylContact O-C 3.06Å; L299-L309 HydrophobicContact CB-CB 4.18Å; L299-L309 HydrophobicContact CD2-CB 4.01Å; L299-L309 HydrophobicContact CD2-CD1 4.13Å; L299-L309 HydrophobicContact CG-CB 4.06Å; L299-L309 HydrophobicContact CG-CD1 4.13Å; L299-L309 PolarHBondContact O-N 3.39Å; L299-H310 HydrophobicContact CB-CB 4.06Å; L299-H310 HydrophobicContact CD2-CB 4.25Å; L299-H310 PolarHBondContact N-O 2.76Å; L299-F312 HydrophobicContact CB-CE2 3.93Å; L299-W324 HydrophobicContact CD1-CH2 3.82Å; L299-W324 HydrophobicContact CD1-CZ2 3.85Å; L299-L346 HydrophobicContact CD1-CD2 4.01Å; L299-L346 HydrophobicContact CD2-CD2 3.72Å; L299-L346 HydrophobicContact CD2-CG 4.13Å
300	W	98.7	Very high	97.9	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.019	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.9	-174.8	-58.5	94.7	0	0	0	112.6	L251 V268 A270 I287 L288 T290 A298 L305 K308	L251-W300 HydrophobicContact CD2-CD2 4.34Å; L251-W300 HydrophobicContact CD2-CG 4.26Å; V268-W300 HydrophobicContact CG1-CE3 4.48Å; V268-W300 HydrophobicContact CG1-CH2 3.82Å; V268-W300 HydrophobicContact CG1-CZ3 3.72Å; A270-W300 HydrophobicContact CB-CH2 4.26Å; A270-W300 HydrophobicContact CB-CZ2 3.73Å; A270-W300 WeakPolarHBondContact O-CZ2 3.45Å; I287-W300 WeakPolarHBondContact CA-O 3.32Å; L288-W300 HydrophobicContact CD2-CB 3.54Å; L288-W300 HydrophobicContact CG-CB 3.94Å; L288-W300 PolarHBondContact N-O 3.03Å; L288-W300 PolarHBondContact O-N 3.1Å; T290-W300 PolarHBondContact OG1-NE1 3.44Å; A298-W300 HydrophobicContact CB-CZ2 3.94Å; W300-L305 HydrophobicContact CB-CD2 3.96Å; W300-L305 HydrophobicContact CE3-CD2 4.27Å; W300-K308 HydrophobicContact CD2-CG 4.5Å; W300-K308 HydrophobicContact CE3-CG 4.31Å; W300-K308 HydrophobicContact CH2-CD 4.35Å; W300-K308 HydrophobicContact CH2-CG 3.43Å; W300-K308 VanDerWaalsContact CH2-CG 3.43Å; W300-K308 HydrophobicContact CZ2-CD 4.26Å; W300-K308 HydrophobicContact CZ2-CG 3.63Å; W300-K308 HydrophobicContact CZ3-CG 3.8Å
301	D	98.2	Very high	97.9	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.08	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.9	168.6	-168.5	-34.2	0	0	0	109.5	F286 R303 N304 L305 L309	F286-D301 CarbonylContact O-C 3Å; F286-D301 WeakPolarHBondContact O-CA 3.2Å; D301-R303 PolarHBondContact O-N 3.41Å; D301-R303 VanDerWaalsContact O-N 3.1Å; D301-R303 WeakPolarHBondContact OD1-CB 3.45Å; D301-R303 VanDerWaalsContact OD1-CG 3.26Å; D301-R303 WeakPolarHBondContact OD1-CG 3.37Å; D301-R303 IonicContact OD1-CZ 3.32Å; D301-R303 PolarHBondContact OD1-N 2.86Å; D301-R303 IonicContact OD1-NE 3.82Å; D301-R303 PolarHBondContact OD1-NE 2.92Å; D301-R303 IonicContact OD1-NH2 3.16Å; D301-R303 IonicContact OD2-CZ 3.44Å; D301-R303 VanDerWaalsContact OD2-CZ 3.26Å; D301-R303 IonicContact OD2-NE 3.62Å; D301-R303 PolarHBondContact OD2-NE 2.95Å; D301-R303 IonicContact OD2-NH2 2.68Å; D301-R303 PolarHBondContact OD2-NH2 2.87Å; D301-N304 CarbonylContact O-C 3.45Å; D301-N304 PolarHBondContact O-N 2.86Å; D301-L305 WeakPolarHBondContact O-CD2 3.45Å; D301-L305 PolarHBondContact O-N 2.91Å; D301-L309 HydrophobicContact CB-CD1 3.83Å; D301-L309 HydrophobicContact CB-CD2 4.02Å; D301-L309 HydrophobicContact CB-CG 3.93Å
302	L	97.8	Very high	97.9	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.131	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.4	177.3	-70.4	177.8	0	0	0	113.1	I253 F280 F286 L288 N304 L305	I253-L302 HydrophobicContact CD1-CD2 3.8Å; I253-L302 HydrophobicContact CG1-CD2 3.85Å; I253-L302 HydrophobicContact CG2-CD2 4.47Å; F280-L302 HydrophobicContact CE1-CD1 4.07Å; F280-L302 HydrophobicContact CE1-CD2 4.34Å; F286-L302 PolarHBondContact O-N 2.83Å; L288-L302 HydrophobicContact CD2-CD2 3.63Å; L288-L302 HydrophobicContact CD2-CG 3.79Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 2.94Å; L302-L305 HydrophobicContact CD2-CD1 4.23Å; L302-L305 HydrophobicContact CD2-CD2 4.34Å
303	R	96.9	Very high	97.8	Very high	165 Å²	165	54.4 Å²	54.4	62%	0.623	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-26	176.6	-55.7	171	-67.8	-169.3	3	111.8	F286 D301	F286-R303 HydrophobicContact CB-CG 4.38Å; F286-R303 HydrophobicContact CD1-CG 3.33Å; F286-R303 HydrophobicContact CD2-CG 4.46Å; F286-R303 HydrophobicContact CE1-CG 3.58Å; F286-R303 HydrophobicContact CG-CG 3.81Å; F286-R303 HydrophobicContact CZ-CG 4.25Å; D301-R303 PolarHBondContact O-N 3.41Å; D301-R303 VanDerWaalsContact O-N 3.1Å; D301-R303 WeakPolarHBondContact OD1-CB 3.45Å; D301-R303 VanDerWaalsContact OD1-CG 3.26Å; D301-R303 WeakPolarHBondContact OD1-CG 3.37Å; D301-R303 IonicContact OD1-CZ 3.32Å; D301-R303 PolarHBondContact OD1-N 2.86Å; D301-R303 IonicContact OD1-NE 3.82Å; D301-R303 PolarHBondContact OD1-NE 2.92Å; D301-R303 IonicContact OD1-NH2 3.16Å; D301-R303 IonicContact OD2-CZ 3.44Å; D301-R303 VanDerWaalsContact OD2-CZ 3.26Å; D301-R303 IonicContact OD2-NE 3.62Å; D301-R303 PolarHBondContact OD2-NE 2.95Å; D301-R303 IonicContact OD2-NH2 2.68Å; D301-R303 PolarHBondContact OD2-NH2 2.87Å
304	N	96.6	Very high	97.8	Very high	81 Å²	81	54.7 Å²	54.7	43%	0.433	26%	0.26	S	S	.	.			trans	-149.6	83.6	177.5	-177.4	26.1	0	0	0	112.5	D301 L302 K306	D301-N304 CarbonylContact O-C 3.45Å; D301-N304 PolarHBondContact O-N 2.86Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 2.94Å; N304-K306 PolarHBondContact O-N 3.41Å; N304-K306 WeakPolarHBondContact OD1-CB 3.28Å; N304-K306 WeakPolarHBondContact OD1-CG 3.34Å; N304-K306 PolarHBondContact OD1-N 3.44Å
305	L	97.1	Very high	97.7	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.073	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	11	177.7	-65.6	170.9	0	0	0	114.8	L251 I253 H266 V268 L288 W300 D301 L302 L307	L251-L305 HydrophobicContact CD2-CD2 4.38Å; I253-L305 HydrophobicContact CG1-CD1 3.84Å; H266-L305 HydrophobicContact CB-CD1 3.58Å; V268-L305 WeakPolarHBondContact CG1-O 3.28Å; V268-L305 HydrophobicContact CG2-CB 3.6Å; V268-L305 HydrophobicContact CG2-CD1 3.98Å; V268-L305 HydrophobicContact CG2-CG 4.29Å; L288-L305 HydrophobicContact CD2-CD2 4.44Å; W300-L305 HydrophobicContact CB-CD2 3.96Å; W300-L305 HydrophobicContact CE3-CD2 4.27Å; D301-L305 WeakPolarHBondContact O-CD2 3.45Å; D301-L305 PolarHBondContact O-N 2.91Å; L302-L305 HydrophobicContact CD2-CD1 4.23Å; L302-L305 HydrophobicContact CD2-CD2 4.34Å; L305-L307 VanDerWaalsContact C-N 3.3Å
306	K	94.4	Very high	97.7	Very high	183 Å²	183	56.9 Å²	56.9	80%	0.796	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.2	-179.9	-65.7	-179.4	179.4	176.7	0	113.1	N304	N304-K306 PolarHBondContact O-N 3.41Å; N304-K306 WeakPolarHBondContact OD1-CB 3.28Å; N304-K306 WeakPolarHBondContact OD1-CG 3.34Å; N304-K306 PolarHBondContact OD1-N 3.44Å
307	L	95.2	Very high	97.6	Very high	126 Å²	126	58.8 Å²	58.8	66%	0.66	28%	0.278	S	S	*	.	S	Bend	trans	-139.3	145.6	-177.8	-63.8	173	0	0	0	108.3	L305	L305-L307 VanDerWaalsContact C-N 3.3Å
308	K	97.9	Very high	97.6	Very high	64 Å²	64	62.5 Å²	62.5	28%	0.278	30%	0.295	S	S	.	.			trans	-61.7	139	165.2	-63	179.9	177.3	-172.6	0	108.6	A270 A298 L299 W300 T311	A270-K308 WeakPolarHBondContact O-CE 3.32Å; A270-K308 PolarHBondContact O-NZ 3.32Å; A298-K308 HydrophobicContact CB-CD 3.62Å; A298-K308 HydrophobicContact CB-CG 4.04Å; L299-K308 CarbonylContact O-C 3.06Å; W300-K308 HydrophobicContact CD2-CG 4.5Å; W300-K308 HydrophobicContact CE3-CG 4.31Å; W300-K308 HydrophobicContact CH2-CD 4.35Å; W300-K308 HydrophobicContact CH2-CG 3.43Å; W300-K308 VanDerWaalsContact CH2-CG 3.43Å; W300-K308 HydrophobicContact CZ2-CD 4.26Å; W300-K308 HydrophobicContact CZ2-CG 3.63Å; W300-K308 HydrophobicContact CZ3-CG 3.8Å; K308-T311 WeakPolarHBondContact CD-OG1 3.29Å
309	L	97.6	Very high	97.6	Very high	92 Å²	92	62.5 Å²	62.5	48%	0.482	30%	0.295	S	S	.	.	S	Bend	trans	-68	-43.1	167.2	-74.8	-177.6	0	0	0	110.4	I287 L299 D301	I287-L309 HydrophobicContact CD1-CD1 3.58Å; L299-L309 HydrophobicContact CB-CB 4.18Å; L299-L309 HydrophobicContact CD2-CB 4.01Å; L299-L309 HydrophobicContact CD2-CD1 4.13Å; L299-L309 HydrophobicContact CG-CB 4.06Å; L299-L309 HydrophobicContact CG-CD1 4.13Å; L299-L309 PolarHBondContact O-N 3.39Å; D301-L309 HydrophobicContact CB-CD1 3.83Å; D301-L309 HydrophobicContact CB-CD2 4.02Å; D301-L309 HydrophobicContact CB-CG 3.93Å
310	H	98.3	Very high	97.6	Very high	47 Å²	47	64.8 Å²	64.8	22%	0.218	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	161.1	-179.4	-165.6	50.2	0	0	0	110.3	L299 F312 I349 E364	L299-H310 HydrophobicContact CB-CB 4.06Å; L299-H310 HydrophobicContact CD2-CB 4.25Å; L299-H310 PolarHBondContact N-O 2.76Å; H310-F312 AromaticContact CD2-CD1 3.9Å; H310-F312 AromaticContact CD2-CE1 3.78Å; H310-I349 HydrophobicContact CB-CD1 4.24Å; H310-E364 IonicContact CD2-OE1 3.48Å; H310-E364 IonicContact CE1-OE1 2.8Å; H310-E364 IonicContact NE2-OE1 3.43Å; H310-E364 PolarHBondContact NE2-OE1 3.35Å
311	T	98.5	Very high	97.6	Very high	36 Å²	36	64.9 Å²	64.9	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.5	171.6	-55.7	0	0	0	0	108	T296 V297 K308 E313	T296-T311 HydrophobicContact CG2-CG2 3.82Å; V297-T311 CarbonylContact O-C 3.57Å; V297-T311 WeakPolarHBondContact O-CA 3.47Å; K308-T311 WeakPolarHBondContact CD-OG1 3.29Å; T311-E313 HydrophobicContact CG2-CG 3.96Å
312	F	98.6	Very high	97.6	Very high	1 Å²	1	64.1 Å²	64.1	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.1	176.5	-54.5	-90.2	0	0	0	109.1	V297 L299 H310 L332 W344 L346 I349 E364	V297-F312 HydrophobicContact CB-CB 4.08Å; V297-F312 HydrophobicContact CB-CD2 3.86Å; V297-F312 HydrophobicContact CB-CG 4.38Å; V297-F312 HydrophobicContact CG1-CD2 3.94Å; V297-F312 PolarHBondContact N-O 3.27Å; V297-F312 WeakPolarHBondContact O-CD2 3.16Å; V297-F312 PolarHBondContact O-N 2.88Å; L299-F312 HydrophobicContact CB-CE2 3.93Å; H310-F312 AromaticContact CD2-CD1 3.9Å; H310-F312 AromaticContact CD2-CE1 3.78Å; F312-L332 HydrophobicContact CE2-CD1 4.31Å; F312-L332 HydrophobicContact CE2-CD2 4.49Å; F312-L332 HydrophobicContact CZ-CD2 4.1Å; F312-W344 HydrophobicContact CB-CD2 4.09Å; F312-W344 HydrophobicContact CB-CE3 3.98Å; F312-W344 HydrophobicContact CB-CH2 3.78Å; F312-W344 HydrophobicContact CB-CZ2 3.98Å; F312-W344 HydrophobicContact CB-CZ3 3.82Å; F312-W344 HydrophobicContact CD1-CB 4.16Å; F312-W344 AromaticContact CD1-CD2 3.92Å; F312-W344 HydrophobicContact CD1-CD2 3.92Å; F312-W344 AromaticContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CG 4.15Å; F312-W344 HydrophobicContact CD1-CZ3 4.27Å; F312-W344 HydrophobicContact CE1-CB 4.15Å; F312-W344 HydrophobicContact CG-CD2 4.22Å; F312-W344 HydrophobicContact CG-CE3 4.24Å; F312-L346 HydrophobicContact CE1-CD1 4.12Å; F312-L346 HydrophobicContact CZ-CD1 3.54Å; F312-L346 HydrophobicContact CZ-CG 4.16Å; F312-I349 HydrophobicContact CE1-CD1 4.07Å; F312-I349 HydrophobicContact CE1-CG1 4.46Å; F312-I349 HydrophobicContact CZ-CD1 4.11Å; F312-E364 HydrophobicContact CD1-CG 3.62Å; F312-E364 HydrophobicContact CE1-CB 4.34Å; F312-E364 HydrophobicContact CE1-CG 3.79Å
313	E	97.1	Very high	97.7	Very high	129 Å²	129	65.1 Å²	65.1	60%	0.603	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	106.2	-174.5	-62.6	-175.7	-172.5	0	0	109.8	T296 T311	T296-E313 HydrophobicContact CG2-CG 4.13Å; T311-E313 HydrophobicContact CG2-CG 3.96Å
314	S	97.3	Very high	97.7	Very high	19 Å²	19	57.9 Å²	57.9	13%	0.133	28%	0.278	C	S	.	.			trans	-156.4	-40.9	172	177.5	0	0	0	0	111.6	K316 N342 L365	S314-K316 WeakPolarHBondContact O-CD 3.33Å; S314-K316 VanDerWaalsContact O-CE 3.31Å; S314-K316 WeakPolarHBondContact O-CE 3.38Å; S314-K316 PolarHBondContact O-NZ 3.03Å; S314-N342 WeakPolarHBondContact CB-ND2 3.12Å; S314-N342 PolarHBondContact OG-ND2 3.05Å; S314-L365 WeakPolarHBondContact OG-CD2 3.33Å
315	H	98.3	Very high	97.8	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.051	26%	0.258	C	S	.	.			trans	-49.9	139.7	175.4	-78.7	-68	0	0	0	111.8	I319 S334 D338	H315-I319 HydrophobicContact CB-CD1 4.32Å; H315-I319 HydrophobicContact CB-CG1 4.19Å; H315-S334 PolarHBondContact CD2-OG 2.81Å; H315-S334 PolarHBondContact NE2-O 3.46Å; H315-S334 PolarHBondContact NE2-OG 2.93Å; H315-D338 WeakPolarHBondContact CA-OD2 3.41Å; H315-D338 WeakPolarHBondContact CB-OD2 3.26Å; H315-D338 IonicContact CE1-OD1 3.94Å; H315-D338 IonicContact CG-OD2 3.31Å; H315-D338 IonicContact ND1-OD1 3.91Å; H315-D338 PolarHBondContact ND1-OD1 3.26Å; H315-D338 IonicContact ND1-OD2 3.31Å; H315-D338 PolarHBondContact ND1-OD2 2.99Å
316	K	97.6	Very high	97.8	Very high	155 Å²	155	56 Å²	56	67%	0.674	27%	0.271	S	S	*	.	S	Bend	trans	-99	-7.1	-177.3	-57.4	-51.7	-179.1	-140.8	0	112.9	K295 S314 D338	K295-K316 WeakPolarHBondContact CD-O 3.42Å; K295-K316 PolarHBondContact NZ-O 3.42Å; S314-K316 WeakPolarHBondContact O-CD 3.33Å; S314-K316 VanDerWaalsContact O-CE 3.31Å; S314-K316 WeakPolarHBondContact O-CE 3.38Å; S314-K316 PolarHBondContact O-NZ 3.03Å; K316-D338 HydrophobicContact CB-CB 4.28Å; K316-D338 PolarHBondContact N-OD2 3.38Å
317	D	98.1	Very high	98	Very high	58 Å²	58	50.6 Å²	50.6	31%	0.31	25%	0.248	S	C	.	.	S	Bend	trans	-151.8	-176.2	-179.4	-152.9	13.8	0	0	0	111.1	T337 D338	D317-T337 WeakPolarHBondContact CB-OG1 3.11Å; D317-T337 WeakPolarHBondContact OD2-CB 3.4Å; D317-T337 PolarHBondContact OD2-OG1 3.13Å; D317-D338 HydrophobicContact CB-CB 3.84Å
318	E	98.5	Very high	98.1	Very high	78 Å²	78	46.9 Å²	46.9	36%	0.364	23%	0.229	S	C	.	.			trans	-55.2	138.3	-172.8	-54.6	-179.8	-167	0	0	113.5	A293 F320 G336 T337	A293-E318 HydrophobicContact CB-CB 4.33Å; A293-E318 HydrophobicContact CB-CG 3.85Å; E318-F320 HydrophobicContact CB-CE1 4.48Å; E318-G336 CarbonylContact O-C 3.52Å; E318-G336 WeakPolarHBondContact O-CA 3.46Å; E318-T337 HydrophobicContact CB-CG2 4.14Å; E318-T337 PolarHBondContact N-OG1 3.15Å; E318-T337 VanDerWaalsContact N-OG1 3.13Å; E318-T337 PolarHBondContact O-N 2.76Å; E318-T337 PolarHBondContact O-OG1 2.89Å
319	I	98.7	Very high	98	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.8	176.6	-55.9	-175.3	0	0	0	109.1	N276 S292 T296 V297 H315	N276-I319 VanDerWaalsContact CB-O 3.23Å; N276-I319 WeakPolarHBondContact CB-O 3.36Å; N276-I319 PolarHBondContact ND2-O 3.33Å; S292-I319 PolarHBondContact O-N 3.37Å; S292-I319 VanDerWaalsContact O-N 3.11Å; T296-I319 WeakPolarHBondContact O-CD1 3.41Å; V297-I319 HydrophobicContact CB-CD1 4.46Å; V297-I319 HydrophobicContact CG2-CD1 3.41Å; V297-I319 VanDerWaalsContact CG2-CD1 3.41Å; H315-I319 HydrophobicContact CB-CD1 4.32Å; H315-I319 HydrophobicContact CB-CG1 4.19Å
320	F	98.3	Very high	98	Very high	57 Å²	57	46.9 Å²	46.9	25%	0.25	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-31.6	179.9	-75	-16.1	0	0	0	113.9	C277 E318 S335 T337	C277-F320 WeakPolarHBondContact CB-O 3.24Å; E318-F320 HydrophobicContact CB-CE1 4.48Å; F320-S335 PolarHBondContact N-O 2.92Å; F320-T337 HydrophobicContact CD1-CG2 4.32Å; F320-T337 HydrophobicContact CD2-CG2 4.19Å; F320-T337 HydrophobicContact CE1-CG2 3.6Å; F320-T337 HydrophobicContact CE2-CG2 3.45Å; F320-T337 VanDerWaalsContact CE2-CG2 3.45Å; F320-T337 HydrophobicContact CZ-CG2 3.12Å
321	Q	98.4	Very high	98	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.7	-178.3	-69.5	-61.8	-54.9	0	0	111.1	C277 H323 S334 S335 F379	C277-Q321 VanDerWaalsContact SG-CA 3.58Å; Q321-H323 PolarHBondContact OE1-NE2 2.94Å; Q321-S334 CarbonylContact O-C 3.52Å; Q321-S334 WeakPolarHBondContact O-CA 3.34Å; Q321-S334 WeakPolarHBondContact O-CB 3.26Å; Q321-S335 PolarHBondContact N-O 2.81Å; Q321-S335 PolarHBondContact O-N 2.77Å; Q321-F379 HydrophobicContact CB-CD1 3.85Å; Q321-F379 HydrophobicContact CB-CE1 3.56Å
322	V	98.8	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.1	169.6	66.4	0	0	0	0	108.6	C277 S279 A289 V297 L332 A333	C277-V322 HydrophobicContact CB-CG1 4.26Å; C277-V322 PolarHBondContact SG-N 3.12Å; S279-V322 VanDerWaalsContact CB-O 3.32Å; S279-V322 WeakPolarHBondContact CB-O 3.42Å; A289-V322 HydrophobicContact CB-CG2 3.99Å; V297-V322 HydrophobicContact CG1-CG2 3.96Å; V322-L332 HydrophobicContact CG2-CD1 3.93Å; V322-A333 CarbonylContact C-O 3.58Å; V322-A333 VanDerWaalsContact CA-O 3.31Å; V322-A333 WeakPolarHBondContact CA-O 3.48Å; V322-A333 WeakPolarHBondContact CG2-O 3.42Å
323	H	98.7	Very high	98	Very high	45 Å²	45	42.9 Å²	42.9	21%	0.208	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129.6	179.4	-75	-64.2	0	0	0	111.3	Q321 A333 F379 W381	Q321-H323 PolarHBondContact OE1-NE2 2.94Å; H323-A333 PolarHBondContact N-O 3.02Å; H323-A333 PolarHBondContact O-N 3.44Å; H323-F379 HydrophobicContact CB-CE2 3.82Å; H323-F379 HydrophobicContact CB-CZ 3.78Å; H323-F379 AromaticContact CD2-CZ 3.87Å; H323-W381 PolarHBondContact O-NE1 2.7Å
324	W	98.7	Very high	98.1	Very high	14 Å²	14	36.7 Å²	36.7	5%	0.053	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.9	168.8	-67.8	94.3	0	0	0	111.4	S279 N281 P282 I287 A289 L299 L332 L346 W381	S279-W324 PolarHBondContact O-NE1 2.77Å; N281-W324 HydrophobicContact CB-CD2 3.98Å; N281-W324 HydrophobicContact CB-CE3 4.39Å; N281-W324 HydrophobicContact CB-CG 4.38Å; N281-W324 HydrophobicContact CB-CH2 4.49Å; N281-W324 HydrophobicContact CB-CZ2 4.1Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.46Å; P282-W324 VanDerWaalsContact CD-CB 3.47Å; P282-W324 HydrophobicContact CG-CB 4.2Å; I287-W324 HydrophobicContact CG2-CH2 3.76Å; I287-W324 HydrophobicContact CG2-CZ2 3.64Å; A289-W324 HydrophobicContact CB-CZ2 4.1Å; L299-W324 HydrophobicContact CD1-CH2 3.82Å; L299-W324 HydrophobicContact CD1-CZ2 3.85Å; W324-L332 HydrophobicContact CD2-CB 4.05Å; W324-L332 HydrophobicContact CE3-CB 3.88Å; W324-L332 HydrophobicContact CH2-CD2 4.25Å; W324-L332 HydrophobicContact CZ3-CB 4.21Å; W324-L332 HydrophobicContact CZ3-CD2 4.08Å; W324-L346 HydrophobicContact CH2-CD1 3.93Å; W324-L346 HydrophobicContact CH2-CD2 3.68Å; W324-L346 HydrophobicContact CH2-CG 4.49Å; W324-L346 HydrophobicContact CZ3-CD1 4Å; W324-L346 HydrophobicContact CZ3-CD2 4.05Å; W324-W381 VanDerWaalsContact O-CD1 3.28Å; W324-W381 PolarHBondContact O-NE1 3.16Å
325	S	98.4	Very high	98.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	17%	0.174	C	C	.	.			trans	-63.7	134.3	167.7	177.4	0	0	0	0	109.7	H327 N328 I331	S325-H327 PolarHBondContact O-N 2.94Å; S325-H327 PolarHBondContact OG-N 2.9Å; S325-N328 PolarHBondContact OG-N 3.12Å; S325-I331 WeakPolarHBondContact CB-O 3.44Å; S325-I331 PolarHBondContact N-O 3.17Å
326	P	97.3	Very high	98.1	Very high	55 Å²	55	35.3 Å²	35.3	36%	0.357	17%	0.171	S	C	.	.	S	Bend	trans	-79.6	-1.3	172.8	33.4	-34.5	0	0	0	112.9	Y283 W381	Y283-P326 PolarHBondContact OH-O 3.33Å; P326-W381 VanDerWaalsContact CD-CB 3.48Å; P326-W381 HydrophobicContact CG-CB 4Å
327	H	97.5	Very high	98.1	Very high	68 Å²	68	28.4 Å²	28.4	32%	0.315	14%	0.142	S	C	.	.	S	Bend	trans	-115.2	-22.9	-176.2	-60.1	-73.9	0	0	0	114.1	Y283 S325 N382 P383 P386	Y283-H327 WeakPolarHBondContact OH-CA 3.5Å; Y283-H327 PolarHBondContact OH-N 3.29Å; Y283-H327 PolarHBondContact OH-O 3.42Å; S325-H327 PolarHBondContact O-N 2.94Å; S325-H327 PolarHBondContact OG-N 2.9Å; H327-N382 PolarHBondContact NE2-O 2.78Å; H327-P383 PolarHBondContact CE1-O 3.22Å; H327-P386 HydrophobicContact CB-CB 4.4Å
328	N	97.3	Very high	98	Very high	49 Å²	49	26.5 Å²	26.5	26%	0.262	13%	0.132	S	C	.	.			trans	-133.6	130.4	-178.1	-174.8	-31.9	0	0	0	110.7	Y283 S325 T330 I331	Y283-N328 PolarHBondContact OH-N 2.74Å; S325-N328 PolarHBondContact OG-N 3.12Å; N328-T330 PolarHBondContact O-N 3.2Å; N328-T330 PolarHBondContact OD1-N 2.94Å; N328-T330 PolarHBondContact OD1-OG1 3.13Å; N328-T330 VanDerWaalsContact OD1-OG1 3.11Å; N328-I331 HydrophobicContact CB-CB 4.02Å; N328-I331 HydrophobicContact CB-CG1 3.65Å; N328-I331 WeakPolarHBondContact ND2-CG1 3.39Å
329	E	96.9	Very high	98	Very high	124 Å²	124	24.4 Å²	24.4	58%	0.579	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.7	-174.6	69.5	-179	167.8	0	0	115.1	N281 Y283	N281-E329 PolarHBondContact ND2-O 3.24Å; Y283-E329 HydrophobicContact CD1-CB 4.27Å; Y283-E329 HydrophobicContact CD2-CB 3.58Å; Y283-E329 HydrophobicContact CE2-CB 4.14Å; Y283-E329 HydrophobicContact CG-CB 3.62Å
330	T	97.5	Very high	98	Very high	31 Å²	31	26.5 Å²	26.5	19%	0.19	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-6.4	-178.1	64.9	0	0	0	0	113	N328 D345 L346	N328-T330 PolarHBondContact O-N 3.2Å; N328-T330 PolarHBondContact OD1-N 2.94Å; N328-T330 PolarHBondContact OD1-OG1 3.13Å; N328-T330 VanDerWaalsContact OD1-OG1 3.11Å; T330-D345 WeakPolarHBondContact CB-OD1 3.32Å; T330-D345 PolarHBondContact OG1-OD1 3.2Å; T330-L346 WeakPolarHBondContact O-CB 3.3Å; T330-L346 WeakPolarHBondContact O-CD1 3.41Å; T330-L346 PolarHBondContact O-N 2.74Å
331	I	98.5	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.8	-172.6	-57.7	-68.1	0	0	0	111.3	S325 N328 V343 W344 D345 L366 W381 W387	S325-I331 WeakPolarHBondContact CB-O 3.44Å; S325-I331 PolarHBondContact N-O 3.17Å; N328-I331 HydrophobicContact CB-CB 4.02Å; N328-I331 HydrophobicContact CB-CG1 3.65Å; N328-I331 WeakPolarHBondContact ND2-CG1 3.39Å; I331-V343 HydrophobicContact CG2-CG1 3.71Å; I331-W344 WeakPolarHBondContact CA-O 3.28Å; I331-D345 HydrophobicContact CD1-CB 3.59Å; I331-L366 HydrophobicContact CD1-CD2 3.97Å; I331-W381 HydrophobicContact CG2-CH2 3.73Å; I331-W381 HydrophobicContact CG2-CZ2 3.97Å; I331-W387 HydrophobicContact CB-CZ3 4.47Å; I331-W387 HydrophobicContact CD1-CH2 3.68Å; I331-W387 HydrophobicContact CD1-CZ3 4.04Å; I331-W387 HydrophobicContact CG1-CH2 3.59Å; I331-W387 HydrophobicContact CG1-CZ3 3.96Å; I331-W387 HydrophobicContact CG2-CH2 4.35Å; I331-W387 HydrophobicContact CG2-CZ3 3.83Å
332	L	98.5	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.1	166.7	69	161.5	0	0	0	110.3	A289 V297 F312 V322 W324 W344 L346	A289-L332 HydrophobicContact CB-CD1 3.89Å; V297-L332 HydrophobicContact CG1-CD1 4.04Å; F312-L332 HydrophobicContact CE2-CD1 4.31Å; F312-L332 HydrophobicContact CE2-CD2 4.49Å; F312-L332 HydrophobicContact CZ-CD2 4.1Å; V322-L332 HydrophobicContact CG2-CD1 3.93Å; W324-L332 HydrophobicContact CD2-CB 4.05Å; W324-L332 HydrophobicContact CE3-CB 3.88Å; W324-L332 HydrophobicContact CH2-CD2 4.25Å; W324-L332 HydrophobicContact CZ3-CB 4.21Å; W324-L332 HydrophobicContact CZ3-CD2 4.08Å; L332-W344 HydrophobicContact CD2-CB 3.69Å; L332-W344 HydrophobicContact CD2-CG 4.43Å; L332-W344 HydrophobicContact CG-CB 4.02Å; L332-W344 HydrophobicContact CG-CG 4.32Å; L332-W344 PolarHBondContact N-O 3.1Å; L332-W344 VanDerWaalsContact N-O 3.14Å; L332-W344 PolarHBondContact O-N 2.83Å; L332-L346 HydrophobicContact CD2-CD1 3.07Å
333	A	98.8	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155	170.5	0	0	0	0	0	110.8	V322 H323 L341 N342 V343 F379 W381 I389	V322-A333 CarbonylContact C-O 3.58Å; V322-A333 VanDerWaalsContact CA-O 3.31Å; V322-A333 WeakPolarHBondContact CA-O 3.48Å; V322-A333 WeakPolarHBondContact CG2-O 3.42Å; H323-A333 PolarHBondContact N-O 3.02Å; H323-A333 PolarHBondContact O-N 3.44Å; A333-L341 HydrophobicContact CB-CD2 3.85Å; A333-N342 CarbonylContact C-O 3.58Å; A333-N342 WeakPolarHBondContact CA-O 3.4Å; A333-N342 WeakPolarHBondContact CB-O 3.26Å; A333-V343 HydrophobicContact CB-CG2 4.38Å; A333-F379 HydrophobicContact CB-CE2 3.59Å; A333-F379 HydrophobicContact CB-CZ 3.74Å; A333-F379 WeakPolarHBondContact O-CZ 3.13Å; A333-W381 HydrophobicContact CB-CH2 4.45Å; A333-W381 HydrophobicContact CB-CZ2 3.48Å; A333-W381 VanDerWaalsContact CB-CZ2 3.48Å; A333-I389 HydrophobicContact CB-CD1 4.5Å
334	S	98.8	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.2	171.6	56.3	0	0	0	0	111.1	H315 Q321 L341 N342 W344	H315-S334 PolarHBondContact CD2-OG 2.81Å; H315-S334 PolarHBondContact NE2-O 3.46Å; H315-S334 PolarHBondContact NE2-OG 2.93Å; Q321-S334 CarbonylContact O-C 3.52Å; Q321-S334 WeakPolarHBondContact O-CA 3.34Å; Q321-S334 WeakPolarHBondContact O-CB 3.26Å; S334-L341 CarbonylContact O-C 3.5Å; S334-L341 VanDerWaalsContact O-CA 3.22Å; S334-L341 WeakPolarHBondContact O-CA 3.35Å; S334-N342 PolarHBondContact N-O 2.99Å; S334-N342 PolarHBondContact O-N 2.8Å; S334-W344 PolarHBondContact OG-NE1 3.24Å
335	S	98.6	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156	176	71.1	0	0	0	0	111.4	F320 Q321 R340 F379	F320-S335 PolarHBondContact N-O 2.92Å; Q321-S335 PolarHBondContact N-O 2.81Å; Q321-S335 PolarHBondContact O-N 2.77Å; S335-R340 WeakPolarHBondContact CA-O 3.32Å; S335-F379 WeakPolarHBondContact OG-CD1 3.15Å
336	G	95.6	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-165.7	-174.2	0	0	0	0	0	115.9	E318 D338 R339 R340 I376	E318-G336 CarbonylContact O-C 3.52Å; E318-G336 WeakPolarHBondContact O-CA 3.46Å; G336-D338 PolarHBondContact O-N 2.81Å; G336-R339 PolarHBondContact O-N 3.04Å; G336-R340 PolarHBondContact N-O 3.26Å; G336-I376 PolarHBondContact O-N 2.87Å
337	T	97.6	Very high	97.9	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.067	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17	-179.8	57.1	0	0	0	0	113	D317 E318 F320 R339 K375	D317-T337 WeakPolarHBondContact CB-OG1 3.11Å; D317-T337 WeakPolarHBondContact OD2-CB 3.4Å; D317-T337 PolarHBondContact OD2-OG1 3.13Å; E318-T337 HydrophobicContact CB-CG2 4.14Å; E318-T337 PolarHBondContact N-OG1 3.15Å; E318-T337 VanDerWaalsContact N-OG1 3.13Å; E318-T337 PolarHBondContact O-N 2.76Å; E318-T337 PolarHBondContact O-OG1 2.89Å; F320-T337 HydrophobicContact CD1-CG2 4.32Å; F320-T337 HydrophobicContact CD2-CG2 4.19Å; F320-T337 HydrophobicContact CE1-CG2 3.6Å; F320-T337 HydrophobicContact CE2-CG2 3.45Å; F320-T337 VanDerWaalsContact CE2-CG2 3.45Å; F320-T337 HydrophobicContact CZ-CG2 3.12Å; T337-R339 PolarHBondContact O-N 2.91Å; T337-R339 VanDerWaalsContact O-N 3.12Å; T337-K375 HydrophobicContact CG2-CD 3.93Å; T337-K375 HydrophobicContact CG2-CG 4.38Å
338	D	97.6	Very high	97.8	Very high	17 Å²	17	21.8 Å²	21.8	9%	0.091	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	4	175.2	67.2	1.8	0	0	0	114.1	H315 K316 D317 G336 R340	H315-D338 WeakPolarHBondContact CA-OD2 3.41Å; H315-D338 WeakPolarHBondContact CB-OD2 3.26Å; H315-D338 IonicContact CE1-OD1 3.94Å; H315-D338 IonicContact CG-OD2 3.31Å; H315-D338 IonicContact ND1-OD1 3.91Å; H315-D338 PolarHBondContact ND1-OD1 3.26Å; H315-D338 IonicContact ND1-OD2 3.31Å; H315-D338 PolarHBondContact ND1-OD2 2.99Å; K316-D338 HydrophobicContact CB-CB 4.28Å; K316-D338 PolarHBondContact N-OD2 3.38Å; D317-D338 HydrophobicContact CB-CB 3.84Å; G336-D338 PolarHBondContact O-N 2.81Å; D338-R340 PolarHBondContact O-N 2.86Å; D338-R340 WeakPolarHBondContact OD1-CB 3.38Å; D338-R340 PolarHBondContact OD1-N 2.83Å; D338-R340 VanDerWaalsContact OD1-N 3.07Å
339	R	97.9	Very high	97.8	Very high	35 Å²	35	22.2 Å²	22.2	13%	0.132	11%	0.114	C	C	.	.	S	Bend	trans	66.9	21.4	176.7	-41.6	170	-80	125.7	3	112.3	E19 G336 T337 T373 A374	E19-R339 IonicContact OE1-NH2 2.94Å; E19-R339 IonicContact OE2-CZ 3.99Å; E19-R339 IonicContact OE2-NH1 3.75Å; E19-R339 PolarHBondContact OE2-NH1 3.09Å; E19-R339 VanDerWaalsContact OE2-NH1 3.14Å; E19-R339 IonicContact OE2-NH2 3.28Å; E19-R339 PolarHBondContact OE2-NH2 2.84Å; G336-R339 PolarHBondContact O-N 3.04Å; T337-R339 PolarHBondContact O-N 2.91Å; T337-R339 VanDerWaalsContact O-N 3.12Å; R339-T373 WeakPolarHBondContact CD-O 3.38Å; R339-A374 WeakPolarHBondContact CB-O 3.47Å; R339-A374 WeakPolarHBondContact CG-O 3.37Å
340	R	98.1	Very high	97.7	Very high	44 Å²	44	19.7 Å²	19.7	17%	0.166	12%	0.121	C	C	.	.			trans	-118.3	147.5	178.6	-58.9	-58.1	178	-111.4	-1.5	110.9	E19 S335 G336 D338 I368 H369	E19-R340 VanDerWaalsContact CD-NH2 3.35Å; E19-R340 IonicContact OE1-NH2 3.85Å; E19-R340 IonicContact OE2-CZ 3.44Å; E19-R340 IonicContact OE2-NH2 2.98Å; E19-R340 PolarHBondContact OE2-NH2 2.79Å; S335-R340 WeakPolarHBondContact CA-O 3.32Å; G336-R340 PolarHBondContact N-O 3.26Å; D338-R340 PolarHBondContact O-N 2.86Å; D338-R340 WeakPolarHBondContact OD1-CB 3.38Å; D338-R340 PolarHBondContact OD1-N 2.83Å; D338-R340 VanDerWaalsContact OD1-N 3.07Å; R340-I368 HydrophobicContact CB-CG2 4.08Å; R340-I368 HydrophobicContact CG-CG2 4.07Å; R340-H369 WeakPolarHBondContact CA-O 3.24Å
341	L	98.7	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.3	164.8	-175.4	163.3	0	0	0	107.8	A333 S334 V343 H369 I376 F379 I389 W401	A333-L341 HydrophobicContact CB-CD2 3.85Å; S334-L341 CarbonylContact O-C 3.5Å; S334-L341 VanDerWaalsContact O-CA 3.22Å; S334-L341 WeakPolarHBondContact O-CA 3.35Å; L341-V343 HydrophobicContact CD2-CG2 4.03Å; L341-H369 HydrophobicContact CB-CB 4.21Å; L341-H369 PolarHBondContact N-O 3.02Å; L341-H369 VanDerWaalsContact N-O 3.11Å; L341-H369 PolarHBondContact O-N 3.12Å; L341-I376 HydrophobicContact CB-CD1 3.89Å; L341-F379 HydrophobicContact CD1-CB 3.66Å; L341-F379 HydrophobicContact CD1-CD1 3.92Å; L341-F379 HydrophobicContact CD1-CD2 3.77Å; L341-F379 HydrophobicContact CD1-CE2 4.4Å; L341-F379 HydrophobicContact CD1-CG 3.5Å; L341-F379 VanDerWaalsContact CD1-CG 3.5Å; L341-I389 HydrophobicContact CD1-CG2 4.07Å; L341-I389 HydrophobicContact CD2-CD1 4.23Å; L341-W401 HydrophobicContact CB-CZ2 4.47Å; L341-W401 HydrophobicContact CD1-CZ2 3.98Å; L341-W401 HydrophobicContact CD2-CH2 3.78Å; L341-W401 HydrophobicContact CD2-CZ2 3.63Å; L341-W401 HydrophobicContact CG-CZ2 4.23Å
342	N	98.7	Very high	97.4	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.5	179.9	-68.6	3	0	0	0	109.2	S314 A333 S334 W344 L365 F367	S314-N342 WeakPolarHBondContact CB-ND2 3.12Å; S314-N342 PolarHBondContact OG-ND2 3.05Å; A333-N342 CarbonylContact C-O 3.58Å; A333-N342 WeakPolarHBondContact CA-O 3.4Å; A333-N342 WeakPolarHBondContact CB-O 3.26Å; S334-N342 PolarHBondContact N-O 2.99Å; S334-N342 PolarHBondContact O-N 2.8Å; N342-W344 HydrophobicContact CB-CD2 4.36Å; N342-W344 HydrophobicContact CB-CH2 4.45Å; N342-W344 HydrophobicContact CB-CZ2 3.6Å; N342-W344 VanDerWaalsContact ND2-CZ2 3.35Å; N342-W344 WeakPolarHBondContact ND2-CZ2 3.41Å; N342-L365 HydrophobicContact CB-CD1 3.77Å; N342-F367 CarbonylContact C-O 3.59Å; N342-F367 WeakPolarHBondContact CA-O 3.36Å
343	V	98.7	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.2	167.7	-175.4	0	0	0	0	107.7	I331 A333 L341 L366 F367 W381 W387 I389 W401 M403	I331-V343 HydrophobicContact CG2-CG1 3.71Å; A333-V343 HydrophobicContact CB-CG2 4.38Å; L341-V343 HydrophobicContact CD2-CG2 4.03Å; V343-L366 HydrophobicContact CG1-CD2 4.17Å; V343-L366 WeakPolarHBondContact O-CB 3.27Å; V343-L366 PolarHBondContact O-N 3.09Å; V343-F367 HydrophobicContact CB-CB 4.17Å; V343-F367 HydrophobicContact CG2-CB 4.45Å; V343-F367 PolarHBondContact N-O 2.58Å; V343-F367 PolarHBondContact O-N 2.82Å; V343-F367 VanDerWaalsContact O-N 3.16Å; V343-W381 HydrophobicContact CG1-CH2 4.07Å; V343-W381 HydrophobicContact CG2-CH2 4.43Å; V343-W387 HydrophobicContact CG1-CZ3 4.46Å; V343-I389 HydrophobicContact CG2-CD1 4.35Å; V343-W401 HydrophobicContact CG2-CH2 4.09Å; V343-M403 HydrophobicContact CB-CE 4.31Å; V343-M403 HydrophobicContact CG1-CE 4.09Å; V343-M403 HydrophobicContact CG2-CE 3.89Å
344	W	98.6	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.1	-174.3	-47.5	92.6	0	0	0	110.4	F312 I331 L332 S334 N342 P362 E364 L365	F312-W344 HydrophobicContact CB-CD2 4.09Å; F312-W344 HydrophobicContact CB-CE3 3.98Å; F312-W344 HydrophobicContact CB-CH2 3.78Å; F312-W344 HydrophobicContact CB-CZ2 3.98Å; F312-W344 HydrophobicContact CB-CZ3 3.82Å; F312-W344 HydrophobicContact CD1-CB 4.16Å; F312-W344 AromaticContact CD1-CD2 3.92Å; F312-W344 HydrophobicContact CD1-CD2 3.92Å; F312-W344 AromaticContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CG 4.15Å; F312-W344 HydrophobicContact CD1-CZ3 4.27Å; F312-W344 HydrophobicContact CE1-CB 4.15Å; F312-W344 HydrophobicContact CG-CD2 4.22Å; F312-W344 HydrophobicContact CG-CE3 4.24Å; I331-W344 WeakPolarHBondContact CA-O 3.28Å; L332-W344 HydrophobicContact CD2-CB 3.69Å; L332-W344 HydrophobicContact CD2-CG 4.43Å; L332-W344 HydrophobicContact CG-CB 4.02Å; L332-W344 HydrophobicContact CG-CG 4.32Å; L332-W344 PolarHBondContact N-O 3.1Å; L332-W344 VanDerWaalsContact N-O 3.14Å; L332-W344 PolarHBondContact O-N 2.83Å; S334-W344 PolarHBondContact OG-NE1 3.24Å; N342-W344 HydrophobicContact CB-CD2 4.36Å; N342-W344 HydrophobicContact CB-CH2 4.45Å; N342-W344 HydrophobicContact CB-CZ2 3.6Å; N342-W344 VanDerWaalsContact ND2-CZ2 3.35Å; N342-W344 WeakPolarHBondContact ND2-CZ2 3.41Å; W344-P362 HydrophobicContact CZ3-CG 4.38Å; W344-E364 CarbonylContact C-O 3.58Å; W344-E364 WeakPolarHBondContact CA-O 3.33Å; W344-E364 HydrophobicContact CE3-CG 4.3Å; W344-L365 HydrophobicContact CD2-CD1 4.19Å; W344-L365 HydrophobicContact CE3-CB 3.99Å; W344-L365 HydrophobicContact CE3-CD1 3.74Å; W344-L365 HydrophobicContact CE3-CG 4.47Å; W344-L365 HydrophobicContact CH2-CD1 3.98Å; W344-L365 HydrophobicContact CZ2-CD1 4.33Å; W344-L365 HydrophobicContact CZ3-CB 3.83Å; W344-L365 HydrophobicContact CZ3-CD1 3.63Å; W344-L365 HydrophobicContact CZ3-CG 4.22Å
345	D	97.8	Very high	96.7	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.08	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	110.8	172.1	-172.5	-0.8	0	0	0	111.2	T330 I331 S347 K348 E364 L366	T330-D345 WeakPolarHBondContact CB-OD1 3.32Å; T330-D345 PolarHBondContact OG1-OD1 3.2Å; I331-D345 HydrophobicContact CD1-CB 3.59Å; D345-S347 PolarHBondContact O-N 2.63Å; D345-S347 VanDerWaalsContact OD1-CB 3.3Å; D345-S347 WeakPolarHBondContact OD1-CB 3.27Å; D345-S347 PolarHBondContact OD1-N 3.29Å; D345-S347 PolarHBondContact OD1-OG 2.91Å; D345-S347 PolarHBondContact OD2-OG 2.96Å; D345-K348 HydrophobicContact CB-CD 4.36Å; D345-K348 HydrophobicContact CB-CG 4.29Å; D345-K348 PolarHBondContact O-N 3.4Å; D345-E364 PolarHBondContact N-O 2.89Å; D345-E364 VanDerWaalsContact O-CB 3.26Å; D345-E364 WeakPolarHBondContact O-CB 3.36Å; D345-L366 HydrophobicContact CB-CB 4.46Å
346	L	97.9	Very high	96.5	Very high	36 Å²	36	49.5 Å²	49.5	19%	0.188	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-58.9	-27.2	176.4	-91.6	66.4	0	0	0	113.2	L299 F312 W324 T330 L332 K348 I349	L299-L346 HydrophobicContact CD1-CD2 4.01Å; L299-L346 HydrophobicContact CD2-CD2 3.72Å; L299-L346 HydrophobicContact CD2-CG 4.13Å; F312-L346 HydrophobicContact CE1-CD1 4.12Å; F312-L346 HydrophobicContact CZ-CD1 3.54Å; F312-L346 HydrophobicContact CZ-CG 4.16Å; W324-L346 HydrophobicContact CH2-CD1 3.93Å; W324-L346 HydrophobicContact CH2-CD2 3.68Å; W324-L346 HydrophobicContact CH2-CG 4.49Å; W324-L346 HydrophobicContact CZ3-CD1 4Å; W324-L346 HydrophobicContact CZ3-CD2 4.05Å; T330-L346 WeakPolarHBondContact O-CB 3.3Å; T330-L346 WeakPolarHBondContact O-CD1 3.41Å; T330-L346 PolarHBondContact O-N 2.74Å; L332-L346 HydrophobicContact CD2-CD1 3.07Å; L346-K348 PolarHBondContact O-N 3.19Å; L346-I349 HydrophobicContact CB-CD1 4.19Å; L346-I349 HydrophobicContact CG-CD1 3.93Å; L346-I349 WeakPolarHBondContact O-CG1 3.49Å; L346-I349 PolarHBondContact O-N 3.48Å
347	S	96.5	Very high	96.3	Very high	70 Å²	70	53.6 Å²	53.6	49%	0.49	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-64.6	-27.9	-178	82	0	0	0	0	112	D345	D345-S347 PolarHBondContact O-N 2.63Å; D345-S347 VanDerWaalsContact OD1-CB 3.3Å; D345-S347 WeakPolarHBondContact OD1-CB 3.27Å; D345-S347 PolarHBondContact OD1-N 3.29Å; D345-S347 PolarHBondContact OD1-OG 2.91Å; D345-S347 PolarHBondContact OD2-OG 2.96Å
348	K	95.9	Very high	96	Very high	24 Å²	24	55.7 Å²	55.7	10%	0.104	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-89.7	0.1	-177.3	-60.3	-174.2	175	-71.2	0	114.1	D345 L346 G350 E351 P363 D410	D345-K348 HydrophobicContact CB-CD 4.36Å; D345-K348 HydrophobicContact CB-CG 4.29Å; D345-K348 PolarHBondContact O-N 3.4Å; L346-K348 PolarHBondContact O-N 3.19Å; K348-G350 PolarHBondContact O-N 2.92Å; K348-G350 VanDerWaalsContact O-N 3.11Å; K348-E351 HydrophobicContact CB-CG 4.37Å; K348-E351 IonicContact NZ-OE2 3.94Å; K348-E351 WeakPolarHBondContact O-CB 3.29Å; K348-E351 PolarHBondContact O-N 3.04Å; K348-E351 VanDerWaalsContact O-N 3.07Å; K348-P363 HydrophobicContact CB-CB 4.48Å; K348-P363 WeakPolarHBondContact CB-O 3.47Å; K348-P363 WeakPolarHBondContact CD-O 3.42Å; K348-P363 WeakPolarHBondContact O-CB 3.5Å; K348-P363 WeakPolarHBondContact O-CG 3.33Å; K348-D410 IonicContact NZ-OD1 2.61Å; K348-D410 IonicContact NZ-OD2 2.84Å; K348-D410 PolarHBondContact NZ-OD2 3.33Å
349	I	97	Very high	95.8	Very high	58 Å²	58	63 Å²	63	30%	0.297	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	119.6	178.9	-67.8	170.8	0	0	0	109.7	H310 F312 L346 E351 E364	H310-I349 HydrophobicContact CB-CD1 4.24Å; F312-I349 HydrophobicContact CE1-CD1 4.07Å; F312-I349 HydrophobicContact CE1-CG1 4.46Å; F312-I349 HydrophobicContact CZ-CD1 4.11Å; L346-I349 HydrophobicContact CB-CD1 4.19Å; L346-I349 HydrophobicContact CG-CD1 3.93Å; L346-I349 WeakPolarHBondContact O-CG1 3.49Å; L346-I349 PolarHBondContact O-N 3.48Å; I349-E351 VanDerWaalsContact C-N 3.34Å; I349-E364 HydrophobicContact CG1-CB 3.74Å; I349-E364 HydrophobicContact CG1-CG 4.07Å
350	G	94.5	Very high	95.4	Very high	70 Å²	70	67.8 Å²	67.8	72%	0.722	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	11	178.3	0	0	0	0	0	114.8	K348	K348-G350 PolarHBondContact O-N 2.92Å; K348-G350 VanDerWaalsContact O-N 3.11Å
351	E	95.1	Very high	95.2	Very high	95 Å²	95	66.5 Å²	66.5	44%	0.444	38%	0.381	S	S	.	.			trans	-62.8	145.9	167.1	-72.3	-173.3	171.5	0	0	111.3	K348 I349 P363	K348-E351 HydrophobicContact CB-CG 4.37Å; K348-E351 IonicContact NZ-OE2 3.94Å; K348-E351 WeakPolarHBondContact O-CB 3.29Å; K348-E351 PolarHBondContact O-N 3.04Å; K348-E351 VanDerWaalsContact O-N 3.07Å; I349-E351 VanDerWaalsContact C-N 3.34Å; E351-P363 HydrophobicContact CB-CB 3.99Å; E351-P363 HydrophobicContact CB-CG 4.44Å
352	E	94.8	Very high	95.1	Very high	200 Å²	200	68.1 Å²	68.1	94%	0.935	39%	0.392	S	S	*	.			trans	-78.3	128.8	176.9	-66	-175.1	170.5	0	0	110
353	Q	93.9	Very high	95	Very high	75 Å²	75	69.1 Å²	69.1	35%	0.35	40%	0.398	S	S	.	.			trans	-110	156.4	175.9	-72.6	177.7	-59.5	0	0	111.4	D357 A358 G361 P363	Q353-D357 HydrophobicContact CB-CB 4.19Å; Q353-D357 HydrophobicContact CG-CB 4.43Å; Q353-A358 HydrophobicContact CB-CB 4.32Å; Q353-G361 PolarHBondContact NE2-O 3Å; Q353-G361 VanDerWaalsContact NE2-O 3.09Å; Q353-G361 PolarHBondContact OE1-O 2.67Å; Q353-P363 HydrophobicContact CG-CB 3.89Å; Q353-P363 VanDerWaalsContact OE1-CD 3.23Å
354	S	94.1	Very high	94.9	Very high	53 Å²	53	69.6 Å²	69.6	37%	0.371	40%	0.4	S	S	.	.			trans	-66	162.6	163.9	82.4	0	0	0	0	110.4	E356 D357 A358	S354-E356 PolarHBondContact O-N 2.83Å; S354-E356 PolarHBondContact OG-N 2.98Å; S354-D357 VanDerWaalsContact CB-OD2 3.32Å; S354-D357 WeakPolarHBondContact CB-OD2 3.47Å; S354-D357 PolarHBondContact O-N 3.1Å; S354-D357 PolarHBondContact OG-N 2.8Å; S354-D357 VanDerWaalsContact OG-N 3.15Å; S354-D357 PolarHBondContact OG-OD2 2.93Å; S354-A358 WeakPolarHBondContact O-CB 3.35Å; S354-A358 PolarHBondContact O-N 3.37Å
355	A	94	Very high	94.9	Very high	83 Å²	83	70.7 Å²	70.7	69%	0.686	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.9	176.4	0	0	0	0	0	112.3	E359	A355-E359 WeakPolarHBondContact O-CG 3.45Å
356	E	92.8	Very high	94.8	Very high	152 Å²	152	71.1 Å²	71.1	71%	0.71	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-47	178.3	-63.9	177.4	-177.8	0	0	110.2	S354 A358 E359	S354-E356 PolarHBondContact O-N 2.83Å; S354-E356 PolarHBondContact OG-N 2.98Å; E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.02Å; E356-E359 WeakPolarHBondContact O-CB 3.28Å; E356-E359 PolarHBondContact O-N 2.91Å; E356-E359 VanDerWaalsContact O-N 3.13Å
357	D	91.5	Very high	94.8	Very high	85 Å²	85	70.2 Å²	70.2	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-65.9	-34.9	179.3	-53.6	-48.8	0	0	0	112.2	Q353 S354 E359 D360 G361	Q353-D357 HydrophobicContact CB-CB 4.19Å; Q353-D357 HydrophobicContact CG-CB 4.43Å; S354-D357 VanDerWaalsContact CB-OD2 3.32Å; S354-D357 WeakPolarHBondContact CB-OD2 3.47Å; S354-D357 PolarHBondContact O-N 3.1Å; S354-D357 PolarHBondContact OG-N 2.8Å; S354-D357 VanDerWaalsContact OG-N 3.15Å; S354-D357 PolarHBondContact OG-OD2 2.93Å; D357-E359 PolarHBondContact O-N 3.23Å; D357-D360 PolarHBondContact O-N 3.4Å; D357-D360 VanDerWaalsContact O-N 3.09Å; D357-G361 PolarHBondContact O-N 2.8Å
358	A	92.2	Very high	94.8	Very high	56 Å²	56	70.1 Å²	70.1	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-68	-17.8	177.1	0	0	0	0	0	113.4	Q353 S354 E356 D360	Q353-A358 HydrophobicContact CB-CB 4.32Å; S354-A358 WeakPolarHBondContact O-CB 3.35Å; S354-A358 PolarHBondContact O-N 3.37Å; E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.02Å; A358-D360 VanDerWaalsContact C-N 3.35Å
359	E	92.4	Very high	94.9	Very high	169 Å²	169	69 Å²	69	79%	0.79	39%	0.391	S	S	*	.	H	α-helix	trans	-73.5	-28.8	171.6	-71.5	178.6	-176	0	0	111.8	A355 E356 D357	A355-E359 WeakPolarHBondContact O-CG 3.45Å; E356-E359 WeakPolarHBondContact O-CB 3.28Å; E356-E359 PolarHBondContact O-N 2.91Å; E356-E359 VanDerWaalsContact O-N 3.13Å; D357-E359 PolarHBondContact O-N 3.23Å
360	D	90.3	Very high	94.9	Very high	137 Å²	137	66.7 Å²	66.7	73%	0.733	38%	0.382	S	S	*	.	H	α-helix	trans	-82.7	-27.4	-179.2	-72.4	-31.3	0	0	0	112.8	D357 A358	D357-D360 PolarHBondContact O-N 3.4Å; D357-D360 VanDerWaalsContact O-N 3.09Å; A358-D360 VanDerWaalsContact C-N 3.35Å
361	G	94.1	Very high	95	Very high	17 Å²	17	63.4 Å²	63.4	18%	0.175	35%	0.348	C	S	.	.			trans	160.2	173.9	174.9	0	0	0	0	0	113.6	Q353 D357	Q353-G361 PolarHBondContact NE2-O 3Å; Q353-G361 VanDerWaalsContact NE2-O 3.09Å; Q353-G361 PolarHBondContact OE1-O 2.67Å; D357-G361 PolarHBondContact O-N 2.8Å
362	P	96.7	Very high	95.1	Very high	34 Å²	34	59 Å²	59	22%	0.221	33%	0.327	C	S	.	.			trans	-66.2	157.3	174.9	32.8	-37.1	0	0	0	110.9	W344 E364 L365	W344-P362 HydrophobicContact CZ3-CG 4.38Å; P362-E364 PolarHBondContact O-N 2.89Å; P362-L365 HydrophobicContact CG-CB 4Å; P362-L365 WeakPolarHBondContact O-CB 3.38Å; P362-L365 PolarHBondContact O-N 2.85Å
363	P	96.4	Very high	95.2	Very high	23 Å²	23	51.3 Å²	51.3	15%	0.149	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-30.4	-172.6	25.2	-33.6	0	0	0	113.4	K348 E351 Q353 L365	K348-P363 HydrophobicContact CB-CB 4.48Å; K348-P363 WeakPolarHBondContact CB-O 3.47Å; K348-P363 WeakPolarHBondContact CD-O 3.42Å; K348-P363 WeakPolarHBondContact O-CB 3.5Å; K348-P363 WeakPolarHBondContact O-CG 3.33Å; E351-P363 HydrophobicContact CB-CB 3.99Å; E351-P363 HydrophobicContact CB-CG 4.44Å; Q353-P363 HydrophobicContact CG-CB 3.89Å; Q353-P363 VanDerWaalsContact OE1-CD 3.23Å; P363-L365 PolarHBondContact O-N 3.47Å
364	E	97.2	Very high	95.4	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.047	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.9	176.2	69.6	-85.8	-163.6	0	0	114.3	H310 F312 W344 D345 I349 P362 L366	H310-E364 IonicContact CD2-OE1 3.48Å; H310-E364 IonicContact CE1-OE1 2.8Å; H310-E364 IonicContact NE2-OE1 3.43Å; H310-E364 PolarHBondContact NE2-OE1 3.35Å; F312-E364 HydrophobicContact CD1-CG 3.62Å; F312-E364 HydrophobicContact CE1-CB 4.34Å; F312-E364 HydrophobicContact CE1-CG 3.79Å; W344-E364 CarbonylContact C-O 3.58Å; W344-E364 WeakPolarHBondContact CA-O 3.33Å; W344-E364 HydrophobicContact CE3-CG 4.3Å; D345-E364 PolarHBondContact N-O 2.89Å; D345-E364 VanDerWaalsContact O-CB 3.26Å; D345-E364 WeakPolarHBondContact O-CB 3.36Å; I349-E364 HydrophobicContact CG1-CB 3.74Å; I349-E364 HydrophobicContact CG1-CG 4.07Å; P362-E364 PolarHBondContact O-N 2.89Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-L366 VanDerWaalsContact O-N 3.14Å
365	L	97.6	Very high	95.5	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.12	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	88.6	172.9	-178.8	60.3	0	0	0	109.8	S314 N342 W344 P362 P363 I368	S314-L365 WeakPolarHBondContact OG-CD2 3.33Å; N342-L365 HydrophobicContact CB-CD1 3.77Å; W344-L365 HydrophobicContact CD2-CD1 4.19Å; W344-L365 HydrophobicContact CE3-CB 3.99Å; W344-L365 HydrophobicContact CE3-CD1 3.74Å; W344-L365 HydrophobicContact CE3-CG 4.47Å; W344-L365 HydrophobicContact CH2-CD1 3.98Å; W344-L365 HydrophobicContact CZ2-CD1 4.33Å; W344-L365 HydrophobicContact CZ3-CB 3.83Å; W344-L365 HydrophobicContact CZ3-CD1 3.63Å; W344-L365 HydrophobicContact CZ3-CG 4.22Å; P362-L365 HydrophobicContact CG-CB 4Å; P362-L365 WeakPolarHBondContact O-CB 3.38Å; P362-L365 PolarHBondContact O-N 2.85Å; P363-L365 PolarHBondContact O-N 3.47Å; L365-I368 HydrophobicContact CD1-CG1 4.05Å; L365-I368 HydrophobicContact CD2-CD1 3.8Å; L365-I368 HydrophobicContact CD2-CG1 3.94Å; L365-I368 HydrophobicContact CG-CG1 4.17Å
366	L	96.2	Very high	95.8	Very high	24 Å²	24	46.2 Å²	46.2	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-42.4	-176.7	-172.9	67	0	0	0	112.8	I331 V343 D345 E364 W387 M403 I407	I331-L366 HydrophobicContact CD1-CD2 3.97Å; V343-L366 HydrophobicContact CG1-CD2 4.17Å; V343-L366 WeakPolarHBondContact O-CB 3.27Å; V343-L366 PolarHBondContact O-N 3.09Å; D345-L366 HydrophobicContact CB-CB 4.46Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-L366 VanDerWaalsContact O-N 3.14Å; L366-W387 HydrophobicContact CD2-CH2 4.16Å; L366-W387 HydrophobicContact CD2-CZ3 4.05Å; L366-M403 HydrophobicContact CD2-SD 4.29Å; L366-I407 WeakPolarHBondContact CD1-O 3.48Å; L366-I407 HydrophobicContact CG-CG2 4.42Å
367	F	97.4	Very high	96	Very high	16 Å²	16	39.6 Å²	39.6	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	148.9	-175.1	-169.7	-107.2	0	0	0	113	L30 Y31 N342 V343 H369 W401 M403 I407	L30-F367 HydrophobicContact CB-CE2 4.16Å; L30-F367 HydrophobicContact CB-CZ 4.25Å; L30-F367 HydrophobicContact CD2-CE2 4.34Å; Y31-F367 HydrophobicContact CD1-CE1 4.45Å; Y31-F367 HydrophobicContact CD1-CZ 4.2Å; Y31-F367 AromaticContact CE1-CE1 3.55Å; Y31-F367 HydrophobicContact CE1-CE1 3.55Å; Y31-F367 AromaticContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE2-CZ 4.12Å; Y31-F367 AromaticContact CZ-CE1 3.77Å; Y31-F367 AromaticContact CZ-CZ 3.45Å; Y31-F367 VanDerWaalsContact CZ-CZ 3.45Å; Y31-F367 WeakPolarHBondContact OH-CZ 3.45Å; N342-F367 CarbonylContact C-O 3.59Å; N342-F367 WeakPolarHBondContact CA-O 3.36Å; V343-F367 HydrophobicContact CB-CB 4.17Å; V343-F367 HydrophobicContact CG2-CB 4.45Å; V343-F367 PolarHBondContact N-O 2.58Å; V343-F367 PolarHBondContact O-N 2.82Å; V343-F367 VanDerWaalsContact O-N 3.16Å; F367-H369 HydrophobicContact CD1-CB 4.4Å; F367-H369 HydrophobicContact CE1-CB 4.03Å; F367-W401 HydrophobicContact CD1-CH2 4.32Å; F367-W401 AromaticContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CE1-CE3 4.4Å; F367-W401 HydrophobicContact CE1-CH2 4.42Å; F367-W401 AromaticContact CE1-CZ3 3.86Å; F367-W401 HydrophobicContact CE1-CZ3 3.86Å; F367-M403 HydrophobicContact CB-SD 4.45Å; F367-M403 HydrophobicContact CD1-CB 4.26Å; F367-M403 HydrophobicContact CD2-CB 4.36Å; F367-M403 HydrophobicContact CE1-CB 4.28Å; F367-M403 HydrophobicContact CE2-CB 4.38Å; F367-M403 HydrophobicContact CG-CB 4.28Å; F367-M403 HydrophobicContact CZ-CB 4.33Å; F367-I407 HydrophobicContact CB-CG2 4.46Å; F367-I407 HydrophobicContact CD2-CD1 3.69Å; F367-I407 HydrophobicContact CD2-CG2 4.09Å; F367-I407 HydrophobicContact CE2-CD1 3.55Å
368	I	97.6	Very high	96.3	Very high	69 Å²	69	35.6 Å²	35.6	35%	0.354	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	111.1	171.5	-54.6	175.6	0	0	0	109.1	R340 L365 G370	R340-I368 HydrophobicContact CB-CG2 4.08Å; R340-I368 HydrophobicContact CG-CG2 4.07Å; L365-I368 HydrophobicContact CD1-CG1 4.05Å; L365-I368 HydrophobicContact CD2-CD1 3.8Å; L365-I368 HydrophobicContact CD2-CG1 3.94Å; L365-I368 HydrophobicContact CG-CG1 4.17Å; I368-G370 PolarHBondContact O-N 3.44Å
369	H	98.2	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	108.8	168.2	176.3	71.9	0	0	0	110.6	Y31 R340 L341 F367 H372 Q399 W401	Y31-H369 AromaticContact CE1-ND1 3.56Å; Y31-H369 AromaticContact CZ-ND1 3.58Å; Y31-H369 PolarHBondContact OH-ND1 3.48Å; R340-H369 WeakPolarHBondContact CA-O 3.24Å; L341-H369 HydrophobicContact CB-CB 4.21Å; L341-H369 PolarHBondContact N-O 3.02Å; L341-H369 VanDerWaalsContact N-O 3.11Å; L341-H369 PolarHBondContact O-N 3.12Å; F367-H369 HydrophobicContact CD1-CB 4.4Å; F367-H369 HydrophobicContact CE1-CB 4.03Å; H369-H372 AromaticContact CD2-CD2 3.92Å; H369-H372 AromaticContact NE2-CD2 3.58Å; H369-H372 AromaticContact NE2-NE2 3.83Å; H369-Q399 PolarHBondContact CE1-OE1 3.32Å; H369-Q399 PolarHBondContact NE2-OE1 2.83Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.14Å; H369-W401 HydrophobicContact CB-CD2 4.45Å; H369-W401 HydrophobicContact CB-CH2 3.62Å; H369-W401 HydrophobicContact CB-CZ2 3.46Å; H369-W401 VanDerWaalsContact CB-CZ2 3.46Å; H369-W401 HydrophobicContact CB-CZ3 4.19Å; H369-W401 AromaticContact CD2-CE2 3.77Å; H369-W401 AromaticContact CD2-CZ2 3.99Å; H369-W401 AromaticContact CD2-NE1 3.54Å; H369-W401 AromaticContact CE1-CD1 3.57Å; H369-W401 AromaticContact CE1-CG 3.87Å; H369-W401 AromaticContact CE1-NE1 3.65Å; H369-W401 AromaticContact CG-CE2 3.49Å; H369-W401 VanDerWaalsContact CG-CE2 3.49Å; H369-W401 AromaticContact CG-CZ2 3.59Å; H369-W401 AromaticContact CG-NE1 3.71Å; H369-W401 AromaticContact ND1-CD1 3.94Å; H369-W401 AromaticContact ND1-CD2 3.73Å; H369-W401 AromaticContact ND1-CE2 3.68Å; H369-W401 AromaticContact ND1-CG 3.91Å; H369-W401 AromaticContact ND1-NE1 3.79Å; H369-W401 AromaticContact NE2-CD1 3.78Å; H369-W401 AromaticContact NE2-NE1 3.52Å
370	G	96.5	Very high	97	Very high	9 Å²	9	25.7 Å²	25.7	9%	0.093	15%	0.148	C	C	.	.			trans	-106.1	24.4	179.7	0	0	0	0	0	114.8	I368 H372	I368-G370 PolarHBondContact O-N 3.44Å; G370-H372 VanDerWaalsContact C-N 3.34Å; G370-H372 PolarHBondContact O-N 2.78Å
371	G	96.1	Very high	97.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	12%	0.115	C	C	.	.			trans	-76.1	-14.5	-174.4	0	0	0	0	0	115.4	Y20 Q399	Y20-G371 WeakPolarHBondContact CE2-O 3.31Å; G371-Q399 VanDerWaalsContact C-NE2 3.35Å; G371-Q399 PolarHBondContact O-NE2 3.22Å
372	H	97.6	Very high	97.6	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.107	C	C	.	.			trans	-94.1	144	-177.3	-70.7	-72.7	0	0	0	112.8	H369 G370 I376 S391 S393	H369-H372 AromaticContact CD2-CD2 3.92Å; H369-H372 AromaticContact NE2-CD2 3.58Å; H369-H372 AromaticContact NE2-NE2 3.83Å; G370-H372 VanDerWaalsContact C-N 3.34Å; G370-H372 PolarHBondContact O-N 2.78Å; H372-I376 HydrophobicContact CB-CD1 4.43Å; H372-I376 HydrophobicContact CB-CG1 4.11Å; H372-S391 PolarHBondContact NE2-OG 2.95Å; H372-S393 WeakPolarHBondContact ND1-CB 3.37Å; H372-S393 PolarHBondContact ND1-OG 3.08Å; H372-S393 VanDerWaalsContact ND1-OG 3.17Å
373	T	96.7	Very high	97.6	Very high	40 Å²	40	19.4 Å²	19.4	25%	0.245	11%	0.11	C	C	.	.	S	Bend	trans	-100.1	-11	175.9	40.8	0	0	0	0	113.4	I16 Y20 R339 D395	I16-T373 HydrophobicContact CG2-CG2 3.78Å; Y20-T373 HydrophobicContact CD1-CG2 4.18Å; Y20-T373 HydrophobicContact CD2-CG2 3.93Å; Y20-T373 HydrophobicContact CG-CG2 3.75Å; R339-T373 WeakPolarHBondContact CD-O 3.38Å; T373-D395 PolarHBondContact OG1-OD2 3.02Å
374	A	97.4	Very high	97.6	Very high	20 Å²	20	21.4 Å²	21.4	17%	0.165	12%	0.119	C	C	.	.	S	Bend	trans	-127.4	176.9	172.7	0	0	0	0	0	111.4	R339 E394 D395	R339-A374 WeakPolarHBondContact CB-O 3.47Å; R339-A374 WeakPolarHBondContact CG-O 3.37Å; A374-E394 HydrophobicContact CB-CB 4.33Å; A374-D395 HydrophobicContact CB-CB 3.64Å; A374-D395 VanDerWaalsContact CB-CG 3.44Å; A374-D395 WeakPolarHBondContact CB-OD2 3.45Å; A374-D395 PolarHBondContact N-OD2 2.94Å
375	K	97.7	Very high	97.5	Very high	83 Å²	83	23.7 Å²	23.7	36%	0.361	13%	0.129	S	C	.	.			trans	-58.2	141.4	-179.8	-55.7	176.5	178.7	175.5	0	110.1	T337 S393 E394	T337-K375 HydrophobicContact CG2-CD 3.93Å; T337-K375 HydrophobicContact CG2-CG 4.38Å; K375-S393 WeakPolarHBondContact O-CA 3.37Å; K375-S393 WeakPolarHBondContact O-CB 3.18Å; K375-E394 HydrophobicContact CB-CG 4.22Å; K375-E394 PolarHBondContact O-N 2.83Å; K375-E394 VanDerWaalsContact O-N 3.09Å
376	I	98.6	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.9	177.6	-58.9	177.5	0	0	0	108.1	G336 L341 H372 V392	G336-I376 PolarHBondContact O-N 2.87Å; L341-I376 HydrophobicContact CB-CD1 3.89Å; H372-I376 HydrophobicContact CB-CD1 4.43Å; H372-I376 HydrophobicContact CB-CG1 4.11Å; I376-V392 CarbonylContact C-O 3.57Å
377	S	97.9	Very high	97.4	Very high	14 Å²	14	25.5 Å²	25.5	10%	0.098	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-40.6	-175.1	-46.4	0	0	0	0	112.6	V392	S377-V392 PolarHBondContact N-O 3.4Å
378	D	98.6	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158.7	178.6	-159.7	11.5	0	0	0	110.4	T45 V46 R128 R130 V392	T45-D378 VanDerWaalsContact CA-OD2 3.29Å; T45-D378 WeakPolarHBondContact CA-OD2 3.4Å; T45-D378 PolarHBondContact OG1-OD2 3.29Å; V46-D378 HydrophobicContact CG1-CB 4.11Å; V46-D378 PolarHBondContact N-OD2 3.26Å; R128-D378 VanDerWaalsContact NH1-CG 3.28Å; R128-D378 IonicContact NH1-OD1 3.99Å; R128-D378 PolarHBondContact NH1-OD1 3.03Å; R128-D378 IonicContact NH1-OD2 3.93Å; R128-D378 PolarHBondContact NH1-OD2 3.14Å; R130-D378 IonicContact CZ-OD2 2.7Å; R130-D378 IonicContact NH1-OD2 3.44Å; R130-D378 PolarHBondContact NH1-OD2 2.99Å; R130-D378 IonicContact NH2-OD1 2.69Å; R130-D378 PolarHBondContact NH2-OD1 2.81Å; R130-D378 IonicContact NH2-OD2 2.86Å; R130-D378 PolarHBondContact NH2-OD2 3.08Å; D378-V392 HydrophobicContact CB-CG2 4.03Å; D378-V392 WeakPolarHBondContact O-CG2 3.33Å; D378-V392 PolarHBondContact O-N 2.86Å
379	F	98.8	Very high	97.5	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.5	170.9	76.9	-86	0	0	0	111.4	Q321 H323 A333 S335 L341 W381 I389 C390	Q321-F379 HydrophobicContact CB-CD1 3.85Å; Q321-F379 HydrophobicContact CB-CE1 3.56Å; H323-F379 HydrophobicContact CB-CE2 3.82Å; H323-F379 HydrophobicContact CB-CZ 3.78Å; H323-F379 AromaticContact CD2-CZ 3.87Å; A333-F379 HydrophobicContact CB-CE2 3.59Å; A333-F379 HydrophobicContact CB-CZ 3.74Å; A333-F379 WeakPolarHBondContact O-CZ 3.13Å; S335-F379 WeakPolarHBondContact OG-CD1 3.15Å; L341-F379 HydrophobicContact CD1-CB 3.66Å; L341-F379 HydrophobicContact CD1-CD1 3.92Å; L341-F379 HydrophobicContact CD1-CD2 3.77Å; L341-F379 HydrophobicContact CD1-CE2 4.4Å; L341-F379 HydrophobicContact CD1-CG 3.5Å; L341-F379 VanDerWaalsContact CD1-CG 3.5Å; F379-W381 AromaticContact CE2-NE1 3.96Å; F379-I389 HydrophobicContact CB-CG2 4.27Å; F379-I389 HydrophobicContact CD2-CG2 3.96Å; F379-C390 CarbonylContact C-O 3.6Å; F379-C390 WeakPolarHBondContact CA-O 3.21Å; F379-C390 WeakPolarHBondContact CB-O 3.49Å
380	S	98.7	Very high	97.5	Very high	17 Å²	17	21.6 Å²	21.6	12%	0.119	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.6	179.5	-175.9	0	0	0	0	110.6	W48 C390	W48-S380 VanDerWaalsContact CD1-O 3.22Å; W48-S380 PolarHBondContact N-OG 3.47Å; W48-S380 PolarHBondContact NE1-O 3.01Å; W48-S380 VanDerWaalsContact NE1-O 3.16Å; S380-C390 PolarHBondContact N-O 2.89Å; S380-C390 PolarHBondContact O-N 2.87Å
381	W	98.7	Very high	97.6	Very high	13 Å²	13	21.1 Å²	21.1	5%	0.049	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	139.6	163.1	-65.4	99.3	0	0	0	110.4	H323 W324 P326 I331 A333 V343 F379 P383 W387 I389	H323-W381 PolarHBondContact O-NE1 2.7Å; W324-W381 VanDerWaalsContact O-CD1 3.28Å; W324-W381 PolarHBondContact O-NE1 3.16Å; P326-W381 VanDerWaalsContact CD-CB 3.48Å; P326-W381 HydrophobicContact CG-CB 4Å; I331-W381 HydrophobicContact CG2-CH2 3.73Å; I331-W381 HydrophobicContact CG2-CZ2 3.97Å; A333-W381 HydrophobicContact CB-CH2 4.45Å; A333-W381 HydrophobicContact CB-CZ2 3.48Å; A333-W381 VanDerWaalsContact CB-CZ2 3.48Å; V343-W381 HydrophobicContact CG1-CH2 4.07Å; V343-W381 HydrophobicContact CG2-CH2 4.43Å; F379-W381 AromaticContact CE2-NE1 3.96Å; W381-P383 WeakPolarHBondContact O-CD 3.28Å; W381-W387 HydrophobicContact CH2-CE3 4.45Å; W381-W387 HydrophobicContact CZ3-CE3 4.25Å; W381-I389 HydrophobicContact CD2-CD1 3.98Å; W381-I389 HydrophobicContact CD2-CG1 3.91Å; W381-I389 HydrophobicContact CE3-CD1 3.72Å; W381-I389 HydrophobicContact CE3-CG1 3.46Å; W381-I389 VanDerWaalsContact CE3-CG1 3.46Å; W381-I389 HydrophobicContact CH2-CD1 3.59Å; W381-I389 HydrophobicContact CH2-CG1 4.27Å; W381-I389 HydrophobicContact CZ2-CD1 3.86Å; W381-I389 HydrophobicContact CZ3-CD1 3.51Å; W381-I389 HydrophobicContact CZ3-CG1 3.67Å
382	N	98.2	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.			trans	-74.4	120.8	171.5	-173.5	-25.4	0	0	0	108.9	W48 H63 H327 N384 E385 V388	W48-N382 VanDerWaalsContact CD1-CA 3.47Å; W48-N382 HydrophobicContact CD2-CB 4.2Å; W48-N382 HydrophobicContact CG-CB 4.2Å; H63-N382 PolarHBondContact ND1-ND2 3.3Å; H327-N382 PolarHBondContact NE2-O 2.78Å; N382-N384 PolarHBondContact O-N 3.19Å; N382-N384 PolarHBondContact OD1-N 3.46Å; N382-E385 HydrophobicContact CB-CB 4.47Å; N382-E385 PolarHBondContact OD1-N 3.23Å; N382-V388 HydrophobicContact CB-CB 3.84Å; N382-V388 HydrophobicContact CB-CG1 3.99Å; N382-V388 VanDerWaalsContact CB-O 3.32Å; N382-V388 WeakPolarHBondContact CB-O 3.42Å; N382-V388 PolarHBondContact N-O 2.87Å
383	P	97.2	Very high	97.7	Very high	43 Å²	43	21 Å²	21	28%	0.279	12%	0.116	S	C	.	.	S	Bend	trans	-72	-11	-178.5	29.2	-35.1	0	0	0	113.5	W48 H327 W381	W48-P383 VanDerWaalsContact CB-CD 3.41Å; W48-P383 HydrophobicContact CB-CG 4.29Å; H327-P383 PolarHBondContact CE1-O 3.22Å; W381-P383 WeakPolarHBondContact O-CD 3.28Å
384	N	96.6	Very high	97.7	Very high	65 Å²	65	23.5 Å²	23.5	35%	0.348	12%	0.124	S	C	.	.	S	Bend	trans	-110.2	-27.6	-176	-65.6	-77.9	0	0	0	114	P50 V52 N382	P50-N384 PolarHBondContact O-ND2 3Å; P50-N384 PolarHBondContact O-OD1 3.15Å; V52-N384 HydrophobicContact CG2-CB 3.67Å; V52-N384 VanDerWaalsContact CG2-ND2 3.28Å; V52-N384 WeakPolarHBondContact CG2-ND2 3.27Å; N382-N384 PolarHBondContact O-N 3.19Å; N382-N384 PolarHBondContact OD1-N 3.46Å
385	E	95.5	Very high	97.6	Very high	57 Å²	57	24.9 Å²	24.9	27%	0.266	13%	0.129	S	C	.	.	S	Bend	trans	-118	113.6	-179.7	-60.5	-61	159.1	0	0	108.9	K54 H63 N382 V388	K54-E385 IonicContact NZ-OE1 3.62Å; H63-E385 IonicContact CE1-OE1 2.86Å; N382-E385 HydrophobicContact CB-CB 4.47Å; N382-E385 PolarHBondContact OD1-N 3.23Å; E385-V388 HydrophobicContact CB-CB 4.07Å; E385-V388 HydrophobicContact CB-CG2 3.65Å; E385-V388 PolarHBondContact O-N 3.37Å
386	P	95.4	Very high	97.5	Very high	55 Å²	55	23 Å²	23	36%	0.357	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	144.8	176.2	-26.8	35.5	0	0	0	112.1	H327 V388	H327-P386 HydrophobicContact CB-CB 4.4Å; P386-V388 PolarHBondContact O-N 2.94Å
387	W	96.6	Very high	97.4	Very high	31 Å²	31	24.7 Å²	24.7	12%	0.117	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-4.5	175.9	-50.7	108.7	0	0	0	116.9	I331 V343 L366 W381 Q402 M403 Y408	I331-W387 HydrophobicContact CB-CZ3 4.47Å; I331-W387 HydrophobicContact CD1-CH2 3.68Å; I331-W387 HydrophobicContact CD1-CZ3 4.04Å; I331-W387 HydrophobicContact CG1-CH2 3.59Å; I331-W387 HydrophobicContact CG1-CZ3 3.96Å; I331-W387 HydrophobicContact CG2-CH2 4.35Å; I331-W387 HydrophobicContact CG2-CZ3 3.83Å; V343-W387 HydrophobicContact CG1-CZ3 4.46Å; L366-W387 HydrophobicContact CD2-CH2 4.16Å; L366-W387 HydrophobicContact CD2-CZ3 4.05Å; W381-W387 HydrophobicContact CH2-CE3 4.45Å; W381-W387 HydrophobicContact CZ3-CE3 4.25Å; W387-Q402 HydrophobicContact CB-CG 3.94Å; W387-M403 HydrophobicContact CD2-CE 4.37Å; W387-M403 HydrophobicContact CE3-CE 3.43Å; W387-M403 VanDerWaalsContact CE3-CE 3.43Å; W387-M403 HydrophobicContact CE3-SD 3.85Å; W387-M403 HydrophobicContact CZ3-CE 3.92Å; W387-M403 HydrophobicContact CZ3-SD 4.08Å; W387-Y408 HydrophobicContact CB-CE1 4.31Å; W387-Y408 AromaticContact CD1-CE1 3.89Å; W387-Y408 AromaticContact CD1-CE2 3.62Å; W387-Y408 AromaticContact CD1-CZ 3.44Å; W387-Y408 VanDerWaalsContact CD1-CZ 3.44Å; W387-Y408 HydrophobicContact CD2-CD1 4.1Å; W387-Y408 HydrophobicContact CD2-CD2 4.33Å; W387-Y408 HydrophobicContact CD2-CE1 4.22Å; W387-Y408 HydrophobicContact CD2-CG 4.12Å; W387-Y408 AromaticContact CE2-CD2 3.55Å; W387-Y408 AromaticContact CE2-CE2 3.85Å; W387-Y408 AromaticContact CE2-CG 3.7Å; W387-Y408 HydrophobicContact CG-CD1 4.28Å; W387-Y408 AromaticContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE2 4.35Å; W387-Y408 AromaticContact CG-CZ 3.95Å; W387-Y408 HydrophobicContact CH2-CD2 4.49Å; W387-Y408 HydrophobicContact CH2-CG 4.13Å; W387-Y408 AromaticContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CE2 4.4Å; W387-Y408 AromaticContact CZ2-CG 3.72Å; W387-Y408 HydrophobicContact CZ2-CG 3.72Å; W387-Y408 AromaticContact NE1-CD2 3.46Å; W387-Y408 AromaticContact NE1-CE2 3.27Å; W387-Y408 VanDerWaalsContact NE1-CE2 3.27Å; W387-Y408 AromaticContact NE1-CZ 3.63Å
388	V	97.5	Very high	97.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123	174.2	178.9	0	0	0	0	109.8	L33 W48 I85 N382 E385 P386 I400 W401 Q402	L33-V388 HydrophobicContact CD2-CG1 4.47Å; L33-V388 HydrophobicContact CD2-CG2 4.48Å; W48-V388 HydrophobicContact CZ2-CG1 4.31Å; I85-V388 HydrophobicContact CD1-CG1 4.42Å; N382-V388 HydrophobicContact CB-CB 3.84Å; N382-V388 HydrophobicContact CB-CG1 3.99Å; N382-V388 VanDerWaalsContact CB-O 3.32Å; N382-V388 WeakPolarHBondContact CB-O 3.42Å; N382-V388 PolarHBondContact N-O 2.87Å; E385-V388 HydrophobicContact CB-CB 4.07Å; E385-V388 HydrophobicContact CB-CG2 3.65Å; E385-V388 PolarHBondContact O-N 3.37Å; P386-V388 PolarHBondContact O-N 2.94Å; V388-I400 HydrophobicContact CG1-CG2 3.81Å; V388-W401 WeakPolarHBondContact CA-O 3.41Å; V388-Q402 HydrophobicContact CG2-CB 4.17Å; V388-Q402 HydrophobicContact CG2-CG 4.3Å
389	I	98.6	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.4	178	-60.3	-177.2	0	0	0	109.4	A333 L341 V343 F379 W381 I400 W401	A333-I389 HydrophobicContact CB-CD1 4.5Å; L341-I389 HydrophobicContact CD1-CG2 4.07Å; L341-I389 HydrophobicContact CD2-CD1 4.23Å; V343-I389 HydrophobicContact CG2-CD1 4.35Å; F379-I389 HydrophobicContact CB-CG2 4.27Å; F379-I389 HydrophobicContact CD2-CG2 3.96Å; W381-I389 HydrophobicContact CD2-CD1 3.98Å; W381-I389 HydrophobicContact CD2-CG1 3.91Å; W381-I389 HydrophobicContact CE3-CD1 3.72Å; W381-I389 HydrophobicContact CE3-CG1 3.46Å; W381-I389 VanDerWaalsContact CE3-CG1 3.46Å; W381-I389 HydrophobicContact CH2-CD1 3.59Å; W381-I389 HydrophobicContact CH2-CG1 4.27Å; W381-I389 HydrophobicContact CZ2-CD1 3.86Å; W381-I389 HydrophobicContact CZ3-CD1 3.51Å; W381-I389 HydrophobicContact CZ3-CG1 3.67Å; I389-I400 CarbonylContact O-C 3.49Å; I389-I400 VanDerWaalsContact O-CA 3.28Å; I389-I400 WeakPolarHBondContact O-CA 3.44Å; I389-W401 HydrophobicContact CB-CD2 4.39Å; I389-W401 HydrophobicContact CB-CH2 4.39Å; I389-W401 HydrophobicContact CB-CZ2 3.93Å; I389-W401 HydrophobicContact CD1-CH2 3.65Å; I389-W401 HydrophobicContact CD1-CZ2 3.84Å; I389-W401 HydrophobicContact CD1-CZ3 4.3Å; I389-W401 HydrophobicContact CG1-CH2 4.41Å; I389-W401 HydrophobicContact CG1-CZ2 4.4Å; I389-W401 HydrophobicContact CG2-CZ2 4Å; I389-W401 PolarHBondContact N-O 3.32Å; I389-W401 PolarHBondContact O-N 3.37Å
390	C	98.5	Very high	97.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.7	164.2	-172.4	0	0	0	0	109.2	V46 W48 L65 F379 S380 M398 Q399 I400	V46-C390 HydrophobicContact CG2-CB 4.24Å; W48-C390 HydrophobicContact CZ2-CB 3.71Å; W48-C390 VanDerWaalsContact NE1-CB 3.32Å; L65-C390 HydrophobicContact CD2-CB 4.15Å; F379-C390 CarbonylContact C-O 3.6Å; F379-C390 WeakPolarHBondContact CA-O 3.21Å; F379-C390 WeakPolarHBondContact CB-O 3.49Å; S380-C390 PolarHBondContact N-O 2.89Å; S380-C390 PolarHBondContact O-N 2.87Å; C390-M398 VanDerWaalsContact SG-SD 3.7Å; C390-Q399 CarbonylContact C-O 3.46Å; C390-Q399 WeakPolarHBondContact CA-O 3.21Å; C390-I400 HydrophobicContact CB-CG1 3.97Å
391	S	98.7	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.4	179	51.7	0	0	0	0	110.2	H372 M398 Q399 W401	H372-S391 PolarHBondContact NE2-OG 2.95Å; S391-M398 CarbonylContact O-C 3.54Å; S391-M398 WeakPolarHBondContact O-CA 3.48Å; S391-Q399 PolarHBondContact N-O 3.45Å; S391-Q399 PolarHBondContact O-N 3.1Å; S391-Q399 PolarHBondContact OG-O 3.03Å; S391-W401 PolarHBondContact OG-NE1 2.93Å
392	V	98.4	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.1	179.1	-67.9	0	0	0	0	110.5	L39 S43 V46 L67 I376 S377 D378 I397 M398	L39-V392 HydrophobicContact CD1-CG1 4.47Å; S43-V392 WeakPolarHBondContact O-CG2 3.2Å; V46-V392 HydrophobicContact CB-CG1 3.99Å; V46-V392 HydrophobicContact CB-CG2 4Å; V46-V392 HydrophobicContact CG1-CG1 4.27Å; V46-V392 HydrophobicContact CG1-CG2 3.86Å; V46-V392 HydrophobicContact CG2-CG1 4.34Å; L67-V392 HydrophobicContact CD2-CG1 3.94Å; I376-V392 CarbonylContact C-O 3.57Å; S377-V392 PolarHBondContact N-O 3.4Å; D378-V392 HydrophobicContact CB-CG2 4.03Å; D378-V392 WeakPolarHBondContact O-CG2 3.33Å; D378-V392 PolarHBondContact O-N 2.86Å; V392-I397 WeakPolarHBondContact CA-O 3.47Å; V392-M398 HydrophobicContact CG1-CB 4.03Å; V392-M398 HydrophobicContact CG1-CG 3.73Å; V392-M398 HydrophobicContact CG1-SD 4.23Å
393	S	97.9	Very high	96.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	165.6	-177.8	53.9	0	0	0	0	113.1	H372 K375 D395 N396 I397	H372-S393 WeakPolarHBondContact ND1-CB 3.37Å; H372-S393 PolarHBondContact ND1-OG 3.08Å; H372-S393 VanDerWaalsContact ND1-OG 3.17Å; K375-S393 WeakPolarHBondContact O-CA 3.37Å; K375-S393 WeakPolarHBondContact O-CB 3.18Å; S393-D395 VanDerWaalsContact CB-OD1 3.32Å; S393-D395 WeakPolarHBondContact CB-OD1 3.44Å; S393-D395 PolarHBondContact O-N 2.81Å; S393-D395 PolarHBondContact OG-OD1 2.83Å; S393-N396 PolarHBondContact O-N 3.13Å; S393-I397 PolarHBondContact N-O 3.39Å; S393-I397 PolarHBondContact OG-O 2.9Å
394	E	96.2	Very high	96.6	Very high	92 Å²	92	23 Å²	23	43%	0.43	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.2	179.7	-68.5	-175	169.2	0	0	114.4	A374 K375 N396	A374-E394 HydrophobicContact CB-CB 4.33Å; K375-E394 HydrophobicContact CB-CG 4.22Å; K375-E394 PolarHBondContact O-N 2.83Å; K375-E394 VanDerWaalsContact O-N 3.09Å; E394-N396 PolarHBondContact O-N 3.15Å; E394-N396 PolarHBondContact O-OD1 3.47Å
395	D	95	Very high	96.4	Very high	48 Å²	48	24.8 Å²	24.8	26%	0.257	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	22.3	177.6	61.3	-1.1	0	0	0	113.6	T373 A374 S393 I397	T373-D395 PolarHBondContact OG1-OD2 3.02Å; A374-D395 HydrophobicContact CB-CB 3.64Å; A374-D395 VanDerWaalsContact CB-CG 3.44Å; A374-D395 WeakPolarHBondContact CB-OD2 3.45Å; A374-D395 PolarHBondContact N-OD2 2.94Å; S393-D395 VanDerWaalsContact CB-OD1 3.32Å; S393-D395 WeakPolarHBondContact CB-OD1 3.44Å; S393-D395 PolarHBondContact O-N 2.81Å; S393-D395 PolarHBondContact OG-OD1 2.83Å; D395-I397 PolarHBondContact O-N 2.87Å
396	N	95.4	Very high	96.2	Very high	44 Å²	44	28 Å²	28	24%	0.235	14%	0.143	C	C	.	.	S	Bend	trans	68	13.7	178.3	-47.7	8.1	0	0	0	114.2	L39 Q40 P42 S393 E394	L39-N396 HydrophobicContact CB-CB 4.46Å; L39-N396 WeakPolarHBondContact CB-O 3.46Å; L39-N396 PolarHBondContact N-O 2.92Å; L39-N396 WeakPolarHBondContact O-CB 3.37Å; Q40-N396 PolarHBondContact O-ND2 2.86Å; P42-N396 WeakPolarHBondContact CB-OD1 3.46Å; P42-N396 WeakPolarHBondContact CD-OD1 3.36Å; S393-N396 PolarHBondContact O-N 3.13Å; E394-N396 PolarHBondContact O-N 3.15Å; E394-N396 PolarHBondContact O-OD1 3.47Å
397	I	96.7	Very high	96	Very high	36 Å²	36	27.1 Å²	27.1	19%	0.185	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.4	179.7	-58.3	-57.5	0	0	0	110.2	T36 A38 V392 S393 D395 Q399	T36-I397 HydrophobicContact CG2-CG2 3.76Å; A38-I397 HydrophobicContact CB-CD1 4.2Å; V392-I397 WeakPolarHBondContact CA-O 3.47Å; S393-I397 PolarHBondContact N-O 3.39Å; S393-I397 PolarHBondContact OG-O 2.9Å; D395-I397 PolarHBondContact O-N 2.87Å; I397-Q399 HydrophobicContact CG2-CG 3.78Å
398	M	96.3	Very high	95.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.3	165.7	-174.4	177.1	74.8	0	0	108.8	H37 L39 L65 L67 I114 C390 S391 V392 I400	H37-M398 HydrophobicContact CB-CE 4.43Å; H37-M398 PolarHBondContact N-O 2.74Å; H37-M398 PolarHBondContact O-N 3.26Å; L39-M398 HydrophobicContact CD1-CB 4.1Å; L39-M398 HydrophobicContact CD2-CB 4.46Å; L39-M398 HydrophobicContact CG-CB 4.13Å; L65-M398 HydrophobicContact CD1-CE 4.04Å; L65-M398 HydrophobicContact CD1-SD 3.83Å; L67-M398 HydrophobicContact CD1-SD 3.95Å; L67-M398 HydrophobicContact CD2-SD 4.03Å; I114-M398 HydrophobicContact CB-CE 4.27Å; I114-M398 HydrophobicContact CD1-CE 3.29Å; I114-M398 HydrophobicContact CG1-CE 3.68Å; I114-M398 HydrophobicContact CG2-CE 3.83Å; C390-M398 VanDerWaalsContact SG-SD 3.7Å; S391-M398 CarbonylContact O-C 3.54Å; S391-M398 WeakPolarHBondContact O-CA 3.48Å; V392-M398 HydrophobicContact CG1-CB 4.03Å; V392-M398 HydrophobicContact CG1-CG 3.73Å; V392-M398 HydrophobicContact CG1-SD 4.23Å; M398-I400 HydrophobicContact CE-CD1 4.26Å
399	Q	96.7	Very high	95	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.1	175.5	-59.4	-169	12.3	0	0	110.7	M35 T36 H369 G371 C390 S391 I397	M35-Q399 VanDerWaalsContact O-CA 3.27Å; M35-Q399 WeakPolarHBondContact O-CA 3.17Å; T36-Q399 HydrophobicContact CG2-CG 4.3Å; H369-Q399 PolarHBondContact CE1-OE1 3.32Å; H369-Q399 PolarHBondContact NE2-OE1 2.83Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.14Å; G371-Q399 VanDerWaalsContact C-NE2 3.35Å; G371-Q399 PolarHBondContact O-NE2 3.22Å; C390-Q399 CarbonylContact C-O 3.46Å; C390-Q399 WeakPolarHBondContact CA-O 3.21Å; S391-Q399 PolarHBondContact N-O 3.45Å; S391-Q399 PolarHBondContact O-N 3.1Å; S391-Q399 PolarHBondContact OG-O 3.03Å; I397-Q399 HydrophobicContact CG2-CG 3.78Å
400	I	97.4	Very high	93.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124	168.9	-62.7	160.8	0	0	0	106.8	L33 V34 M35 W48 L65 V83 I114 V388 I389 C390 M398	L33-I400 HydrophobicContact CD2-CG2 4.25Å; V34-I400 CarbonylContact C-O 3.59Å; V34-I400 WeakPolarHBondContact CA-O 3.09Å; M35-I400 HydrophobicContact CB-CB 4.26Å; M35-I400 HydrophobicContact CE-CD1 4.18Å; M35-I400 PolarHBondContact N-O 3.35Å; M35-I400 PolarHBondContact O-N 2.87Å; W48-I400 HydrophobicContact CH2-CD1 3.79Å; W48-I400 HydrophobicContact CH2-CG1 4.19Å; W48-I400 HydrophobicContact CH2-CG2 4.22Å; W48-I400 HydrophobicContact CZ2-CD1 4.11Å; W48-I400 HydrophobicContact CZ2-CG1 3.99Å; W48-I400 HydrophobicContact CZ2-CG2 3.89Å; L65-I400 HydrophobicContact CD1-CD1 4.26Å; V83-I400 HydrophobicContact CB-CD1 4.38Å; V83-I400 HydrophobicContact CG1-CD1 3.49Å; V83-I400 VanDerWaalsContact CG1-CD1 3.49Å; V83-I400 HydrophobicContact CG2-CD1 4Å; I114-I400 HydrophobicContact CD1-CD1 4.28Å; I114-I400 HydrophobicContact CG1-CD1 4.47Å; V388-I400 HydrophobicContact CG1-CG2 3.81Å; I389-I400 CarbonylContact O-C 3.49Å; I389-I400 VanDerWaalsContact O-CA 3.28Å; I389-I400 WeakPolarHBondContact O-CA 3.44Å; C390-I400 HydrophobicContact CB-CG1 3.97Å; M398-I400 HydrophobicContact CE-CD1 4.26Å
401	W	96.3	Very high	91.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.1	-171.4	56.8	-89.8	0	0	0	112.3	Y31 L33 V34 L341 V343 F367 H369 V388 I389 S391 M403	Y31-W401 HydrophobicContact CD1-CB 4.09Å; Y31-W401 HydrophobicContact CD1-CE3 4.07Å; Y31-W401 HydrophobicContact CE1-CB 4.26Å; Y31-W401 HydrophobicContact CE1-CD2 4.14Å; Y31-W401 AromaticContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CG 4.39Å; Y31-W401 HydrophobicContact CE1-CZ3 4.4Å; L33-W401 CarbonylContact O-C 3.47Å; L33-W401 WeakPolarHBondContact O-CA 3.18Å; L33-W401 WeakPolarHBondContact O-CB 3.31Å; V34-W401 HydrophobicContact CG2-CB 4.23Å; L341-W401 HydrophobicContact CB-CZ2 4.47Å; L341-W401 HydrophobicContact CD1-CZ2 3.98Å; L341-W401 HydrophobicContact CD2-CH2 3.78Å; L341-W401 HydrophobicContact CD2-CZ2 3.63Å; L341-W401 HydrophobicContact CG-CZ2 4.23Å; V343-W401 HydrophobicContact CG2-CH2 4.09Å; F367-W401 HydrophobicContact CD1-CH2 4.32Å; F367-W401 AromaticContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CE1-CE3 4.4Å; F367-W401 HydrophobicContact CE1-CH2 4.42Å; F367-W401 AromaticContact CE1-CZ3 3.86Å; F367-W401 HydrophobicContact CE1-CZ3 3.86Å; H369-W401 HydrophobicContact CB-CD2 4.45Å; H369-W401 HydrophobicContact CB-CH2 3.62Å; H369-W401 HydrophobicContact CB-CZ2 3.46Å; H369-W401 VanDerWaalsContact CB-CZ2 3.46Å; H369-W401 HydrophobicContact CB-CZ3 4.19Å; H369-W401 AromaticContact CD2-CE2 3.77Å; H369-W401 AromaticContact CD2-CZ2 3.99Å; H369-W401 AromaticContact CD2-NE1 3.54Å; H369-W401 AromaticContact CE1-CD1 3.57Å; H369-W401 AromaticContact CE1-CG 3.87Å; H369-W401 AromaticContact CE1-NE1 3.65Å; H369-W401 AromaticContact CG-CE2 3.49Å; H369-W401 VanDerWaalsContact CG-CE2 3.49Å; H369-W401 AromaticContact CG-CZ2 3.59Å; H369-W401 AromaticContact CG-NE1 3.71Å; H369-W401 AromaticContact ND1-CD1 3.94Å; H369-W401 AromaticContact ND1-CD2 3.73Å; H369-W401 AromaticContact ND1-CE2 3.68Å; H369-W401 AromaticContact ND1-CG 3.91Å; H369-W401 AromaticContact ND1-NE1 3.79Å; H369-W401 AromaticContact NE2-CD1 3.78Å; H369-W401 AromaticContact NE2-NE1 3.52Å; V388-W401 WeakPolarHBondContact CA-O 3.41Å; I389-W401 HydrophobicContact CB-CD2 4.39Å; I389-W401 HydrophobicContact CB-CH2 4.39Å; I389-W401 HydrophobicContact CB-CZ2 3.93Å; I389-W401 HydrophobicContact CD1-CH2 3.65Å; I389-W401 HydrophobicContact CD1-CZ2 3.84Å; I389-W401 HydrophobicContact CD1-CZ3 4.3Å; I389-W401 HydrophobicContact CG1-CH2 4.41Å; I389-W401 HydrophobicContact CG1-CZ2 4.4Å; I389-W401 HydrophobicContact CG2-CZ2 4Å; I389-W401 PolarHBondContact N-O 3.32Å; I389-W401 PolarHBondContact O-N 3.37Å; S391-W401 PolarHBondContact OG-NE1 2.93Å; W401-M403 HydrophobicContact CZ3-CE 4.44Å
402	Q	96	Very high	88.7	Confident	44 Å²	44	50.7 Å²	50.7	21%	0.206	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.1	174.9	-173.7	-178.4	-17.4	0	0	107.1	Y31 D32 L33 W387 V388	Y31-Q402 CarbonylContact C-O 3.56Å; Y31-Q402 WeakPolarHBondContact CA-O 3.36Å; Y31-Q402 WeakPolarHBondContact CB-O 3.08Å; D32-Q402 PolarHBondContact N-O 3.24Å; L33-Q402 HydrophobicContact CB-CB 3.75Å; L33-Q402 PolarHBondContact N-O 2.93Å; L33-Q402 PolarHBondContact O-N 3.21Å; W387-Q402 HydrophobicContact CB-CG 3.94Å; V388-Q402 HydrophobicContact CG2-CB 4.17Å; V388-Q402 HydrophobicContact CG2-CG 4.3Å
403	M	95.2	Very high	86	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	152.8	174.6	71.1	-168.1	78.7	0	0	110.2	V343 L366 F367 W387 W401 I407 Y408	V343-M403 HydrophobicContact CB-CE 4.31Å; V343-M403 HydrophobicContact CG1-CE 4.09Å; V343-M403 HydrophobicContact CG2-CE 3.89Å; L366-M403 HydrophobicContact CD2-SD 4.29Å; F367-M403 HydrophobicContact CB-SD 4.45Å; F367-M403 HydrophobicContact CD1-CB 4.26Å; F367-M403 HydrophobicContact CD2-CB 4.36Å; F367-M403 HydrophobicContact CE1-CB 4.28Å; F367-M403 HydrophobicContact CE2-CB 4.38Å; F367-M403 HydrophobicContact CG-CB 4.28Å; F367-M403 HydrophobicContact CZ-CB 4.33Å; W387-M403 HydrophobicContact CD2-CE 4.37Å; W387-M403 HydrophobicContact CE3-CE 3.43Å; W387-M403 VanDerWaalsContact CE3-CE 3.43Å; W387-M403 HydrophobicContact CE3-SD 3.85Å; W387-M403 HydrophobicContact CZ3-CE 3.92Å; W387-M403 HydrophobicContact CZ3-SD 4.08Å; W401-M403 HydrophobicContact CZ3-CE 4.44Å; M403-I407 HydrophobicContact CB-CD1 4.45Å; M403-Y408 HydrophobicContact CG-CD1 3.4Å; M403-Y408 HydrophobicContact CG-CE1 3.66Å; M403-Y408 HydrophobicContact SD-CD1 3.6Å; M403-Y408 VanDerWaalsContact SD-CD1 3.6Å; M403-Y408 HydrophobicContact SD-CE1 4.37Å; M403-Y408 HydrophobicContact SD-CG 4.36Å
404	A	93.7	Very high	83	Confident	5 Å²	5	61.9 Å²	61.9	4%	0.041	32%	0.317	C	S	.	.			trans	-63.5	140.8	179.8	0	0	0	0	0	111.8	L30 D32 N406 I407	L30-A404 PolarHBondContact O-N 3.44Å; D32-A404 WeakPolarHBondContact OD2-CA 3.34Å; A404-N406 WeakPolarHBondContact CB-OD1 3.37Å; A404-N406 PolarHBondContact O-N 3.48Å; A404-N406 VanDerWaalsContact O-N 3.17Å; A404-I407 HydrophobicContact CB-CD1 4.08Å; A404-I407 HydrophobicContact CB-CG1 4.25Å; A404-I407 VanDerWaalsContact O-CB 3.29Å; A404-I407 WeakPolarHBondContact O-CB 3.27Å; A404-I407 WeakPolarHBondContact O-CG1 3.45Å; A404-I407 PolarHBondContact O-N 3.07Å
405	E	92.2	Very high	80.2	Confident	103 Å²	103	61.5 Å²	61.5	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-54.1	-38.4	-174.6	-172.5	179.1	178.5	0	0	113.7	D32 I407 Y408 N409	D32-E405 PolarHBondContact OD2-N 3.37Å; E405-I407 PolarHBondContact O-N 3.15Å; E405-I407 VanDerWaalsContact O-N 3.09Å; E405-Y408 HydrophobicContact CG-CE2 4.12Å; E405-Y408 PolarHBondContact O-N 2.68Å; E405-N409 HydrophobicContact CG-CB 4.01Å; E405-N409 WeakPolarHBondContact O-CB 3.21Å; E405-N409 PolarHBondContact O-N 3.16Å; E405-N409 PolarHBondContact OE1-ND2 3.43Å
406	N	91.3	Very high	77.2	Confident	124 Å²	124	62.6 Å²	62.6	66%	0.663	33%	0.329	S	S	*	.	H	α-helix	trans	-66.9	-7.9	179.6	69.2	-42.5	0	0	0	114.6	A404	A404-N406 WeakPolarHBondContact CB-OD1 3.37Å; A404-N406 PolarHBondContact O-N 3.48Å; A404-N406 VanDerWaalsContact O-N 3.17Å
407	I	90.8	Very high	74.6	Confident	37 Å²	37	65.8 Å²	65.8	19%	0.19	35%	0.351	C	S	.	.	H	α-helix	trans	-84.2	-37.3	178.3	-61.3	178.9	0	0	0	110.9	L30 L366 F367 M403 A404 E405	L30-I407 HydrophobicContact CD2-CD1 4.44Å; L366-I407 WeakPolarHBondContact CD1-O 3.48Å; L366-I407 HydrophobicContact CG-CG2 4.42Å; F367-I407 HydrophobicContact CB-CG2 4.46Å; F367-I407 HydrophobicContact CD2-CD1 3.69Å; F367-I407 HydrophobicContact CD2-CG2 4.09Å; F367-I407 HydrophobicContact CE2-CD1 3.55Å; M403-I407 HydrophobicContact CB-CD1 4.45Å; A404-I407 HydrophobicContact CB-CD1 4.08Å; A404-I407 HydrophobicContact CB-CG1 4.25Å; A404-I407 VanDerWaalsContact O-CB 3.29Å; A404-I407 WeakPolarHBondContact O-CB 3.27Å; A404-I407 WeakPolarHBondContact O-CG1 3.45Å; A404-I407 PolarHBondContact O-N 3.07Å; E405-I407 PolarHBondContact O-N 3.15Å; E405-I407 VanDerWaalsContact O-N 3.09Å
408	Y	89.1	Confident	71.9	Confident	46 Å²	46	68.2 Å²	68.2	18%	0.18	37%	0.371	C	S	.	.	H	α-helix	trans	-111.3	-17.4	-175.8	60.2	-99.5	0	0	0	114.1	W387 M403 E405 D410	W387-Y408 HydrophobicContact CB-CE1 4.31Å; W387-Y408 AromaticContact CD1-CE1 3.89Å; W387-Y408 AromaticContact CD1-CE2 3.62Å; W387-Y408 AromaticContact CD1-CZ 3.44Å; W387-Y408 VanDerWaalsContact CD1-CZ 3.44Å; W387-Y408 HydrophobicContact CD2-CD1 4.1Å; W387-Y408 HydrophobicContact CD2-CD2 4.33Å; W387-Y408 HydrophobicContact CD2-CE1 4.22Å; W387-Y408 HydrophobicContact CD2-CG 4.12Å; W387-Y408 AromaticContact CE2-CD2 3.55Å; W387-Y408 AromaticContact CE2-CE2 3.85Å; W387-Y408 AromaticContact CE2-CG 3.7Å; W387-Y408 HydrophobicContact CG-CD1 4.28Å; W387-Y408 AromaticContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE2 4.35Å; W387-Y408 AromaticContact CG-CZ 3.95Å; W387-Y408 HydrophobicContact CH2-CD2 4.49Å; W387-Y408 HydrophobicContact CH2-CG 4.13Å; W387-Y408 AromaticContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CE2 4.4Å; W387-Y408 AromaticContact CZ2-CG 3.72Å; W387-Y408 HydrophobicContact CZ2-CG 3.72Å; W387-Y408 AromaticContact NE1-CD2 3.46Å; W387-Y408 AromaticContact NE1-CE2 3.27Å; W387-Y408 VanDerWaalsContact NE1-CE2 3.27Å; W387-Y408 AromaticContact NE1-CZ 3.63Å; M403-Y408 HydrophobicContact CG-CD1 3.4Å; M403-Y408 HydrophobicContact CG-CE1 3.66Å; M403-Y408 HydrophobicContact SD-CD1 3.6Å; M403-Y408 VanDerWaalsContact SD-CD1 3.6Å; M403-Y408 HydrophobicContact SD-CE1 4.37Å; M403-Y408 HydrophobicContact SD-CG 4.36Å; E405-Y408 HydrophobicContact CG-CE2 4.12Å; E405-Y408 PolarHBondContact O-N 2.68Å; Y408-D410 PolarHBondContact O-N 3.35Å
409	N	84.4	Confident	69.4	Low	55 Å²	55	75.4 Å²	75.4	29%	0.294	40%	0.404	S	S	.	.			trans	-91.4	91.9	178.8	-160.1	4.2	0	0	0	109	E405 E411	E405-N409 HydrophobicContact CG-CB 4.01Å; E405-N409 WeakPolarHBondContact O-CB 3.21Å; E405-N409 PolarHBondContact O-N 3.16Å; E405-N409 PolarHBondContact OE1-ND2 3.43Å; N409-E411 PolarHBondContact O-N 3.11Å
410	D	65.4	Low	66.9	Low	105 Å²	105	82.2 Å²	82.2	56%	0.561	44%	0.44	S	S	*	.			trans	-74.6	37.1	169.6	-69.5	-25.6	0	0	0	111.2	K348 Y408 E412	K348-D410 IonicContact NZ-OD1 2.61Å; K348-D410 IonicContact NZ-OD2 2.84Å; K348-D410 PolarHBondContact NZ-OD2 3.33Å; Y408-D410 PolarHBondContact O-N 3.35Å; D410-E412 PolarHBondContact O-N 3.29Å
411	E	53.2	Low	64.3	Low	156 Å²	156	90.8 Å²	90.8	73%	0.729	48%	0.48	S	S	*	.			trans	-60.7	91	156.3	-83.9	-172.7	-170.5	0	0	105.1	N409 S413	N409-E411 PolarHBondContact O-N 3.11Å; E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.95Å
412	E	45.3	Very low	61.7	Low	165 Å²	165	93.7 Å²	93.7	77%	0.771	51%	0.51	S	S	*	.			trans	-39.4	110.2	160.9	-76.7	-176.1	165.2	0	0	103.1	D410 D414	D410-E412 PolarHBondContact O-N 3.29Å; E412-D414 PolarHBondContact O-N 3.14Å
413	S	41.3	Very low	59	Low	95 Å²	95	100.8 Å²	100.8	66%	0.664	54%	0.543	S	S	*	.			trans	-48.9	108.9	160.4	54.2	0	0	0	0	102.4	E411 V415	E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.95Å; S413-V415 PolarHBondContact O-N 2.9Å
414	D	35.3	Very low	56.6	Low	142 Å²	142	104.4 Å²	104.4	76%	0.759	58%	0.581	S	S	*	*			trans	-62.5	63.6	166.8	-103.8	-28.8	0	0	0	104.7	E412 T416	E412-D414 PolarHBondContact O-N 3.14Å; D414-T416 HydrophobicContact CB-CG2 4.49Å; D414-T416 PolarHBondContact O-N 2.93Å
415	V	37.4	Very low	54.1	Low	83 Å²	83	113.2 Å²	113.2	50%	0.503	64%	0.642	S	S	.	*			trans	-68.4	74.3	148.9	-175	0	0	0	0	102.1	S413 T417	S413-V415 PolarHBondContact O-N 2.9Å; V415-T417 PolarHBondContact O-N 3.32Å
416	T	32.6	Very low	52.2	Low	71 Å²	71	113.8 Å²	113.8	44%	0.436	65%	0.65	S	S	.	*			trans	-37.4	122.2	166.3	48.6	0	0	0	0	106.1	D414 S418 E419	D414-T416 HydrophobicContact CB-CG2 4.49Å; D414-T416 PolarHBondContact O-N 2.93Å; T416-S418 WeakPolarHBondContact CB-OG 3.39Å; T416-S418 PolarHBondContact O-N 3.11Å; T416-S418 PolarHBondContact OG1-OG 3.49Å; T416-E419 PolarHBondContact O-N 3.04Å
417	T	40.7	Very low	50.1	Low	112 Å²	112	113.2 Å²	113.2	69%	0.687	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-4.3	176.6	24.1	0	0	0	0	112.7	V415 E419 L420 E421	V415-T417 PolarHBondContact O-N 3.32Å; T417-E419 VanDerWaalsContact C-N 3.28Å; T417-E419 PolarHBondContact O-N 3.05Å; T417-L420 PolarHBondContact O-N 3.48Å; T417-E421 PolarHBondContact O-N 3.08Å
418	S	40.2	Very low	47.9	Very low	86 Å²	86	117.4 Å²	117.4	60%	0.601	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-19.7	162.8	43.9	0	0	0	0	116.2	T416	T416-S418 WeakPolarHBondContact CB-OG 3.39Å; T416-S418 PolarHBondContact O-N 3.11Å; T416-S418 PolarHBondContact OG1-OG 3.49Å
419	E	43.3	Very low	45.4	Very low	153 Å²	153	121.6 Å²	121.6	72%	0.715	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-20.6	172.3	-70.5	-161	154.6	0	0	113.5	T416 T417	T416-E419 PolarHBondContact O-N 3.04Å; T417-E419 VanDerWaalsContact C-N 3.28Å; T417-E419 PolarHBondContact O-N 3.05Å
420	L	43.1	Very low	43	Very low	143 Å²	143	125.8 Å²	125.8	75%	0.749	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-84.1	-21.2	176.5	-75.1	167.9	0	0	0	113.6	T417 G422	T417-L420 PolarHBondContact O-N 3.48Å; L420-G422 VanDerWaalsContact C-N 3.32Å
421	E	43	Very low	41.5	Very low	181 Å²	181	127.2 Å²	127.2	85%	0.846	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-86.9	3.4	171.9	-68.7	-164.8	158.2	0	0	113.9	T417	T417-E421 PolarHBondContact O-N 3.08Å
422	G	42.9	Very low	40.7	Very low	62 Å²	62	125.1 Å²	125.1	64%	0.639	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-81.3	-8.3	-179.8	0	0	0	0	0	116.3	L420	L420-G422 VanDerWaalsContact C-N 3.32Å
423	Q	39.3	Very low	40.3	Very low	193 Å²	193	122.1 Å²	122.1	90%	0.902	74%	0.739	S	S	*	*	S	Bend	trans	-130.9	57.1	-175.8	-65	-171.6	20.5	0	0	112.6
424	G	43.1	Very low	40.2	Very low	76 Å²	76	124.3 Å²	124.3	78%	0.784	75%	0.746	S	S	*	*			trans	-134	64.6	165.2	0	0	0	0	0	110.6
425	S	42	Very low	40.7	Very low	190 Å²	190	122.7 Å²	122.7	100%	1.329	75%	0.745	S	S	*	*			trans	-93.1	0	169.5	69.9	0	0	0	0	111.8

Retrieved 425 of 425 residues in 81.8 ms (Link to these results)

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