A0A5K4F9R3_SCHMA Loading...

Alpha-carbonic anhydrase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9R3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 308 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	62.7	Low	66.1	Low	199 Å²	199	123.5 Å²	123.5	98%	0.98	63%	0.63	S	S	*	*				0	-45.3	0	-143.8	173.5	73.7	0	0	112.2	M5	M1-M5 PolarHBondContact O-N 3.29Å
2	I	66.3	Low	66.6	Low	149 Å²	149	119.4 Å²	119.4	76%	0.764	62%	0.615	S	S	*	*	H	α-helix	trans	-65.2	-42.7	178.9	-64.6	169.5	0	0	0	112.9	T4 M5 L6	I2-T4 VanDerWaalsContact C-N 3.31Å; I2-T4 PolarHBondContact O-N 3.49Å; I2-M5 PolarHBondContact O-N 2.89Å; I2-L6 PolarHBondContact O-N 2.79Å; I2-L6 VanDerWaalsContact O-N 3.14Å
3	E	60.8	Low	66.7	Low	166 Å²	166	115.9 Å²	115.9	78%	0.776	60%	0.603	S	S	*	*	H	α-helix	trans	-61.2	-37.9	179.4	-69.4	-176.4	158.9	0	0	113.3	M5 L6 F7	E3-M5 VanDerWaalsContact C-N 3.34Å; E3-M5 PolarHBondContact O-N 3.32Å; E3-L6 PolarHBondContact O-N 3.01Å; E3-F7 PolarHBondContact O-N 3.39Å
4	T	67.6	Low	66.6	Low	93 Å²	93	115.6 Å²	115.6	57%	0.571	60%	0.599	S	S	*	*	H	α-helix	trans	-67.4	-36.6	178.9	-29.1	0	0	0	0	111.5	I2 I8	I2-T4 VanDerWaalsContact C-N 3.31Å; I2-T4 PolarHBondContact O-N 3.49Å; T4-I8 WeakPolarHBondContact O-CG1 3.38Å; T4-I8 PolarHBondContact O-N 3.14Å
5	M	63.2	Low	66.4	Low	117 Å²	117	119.3 Å²	119.3	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-40.7	175.5	-70.1	-107.8	83.9	0	0	111.5	M1 I2 E3 F7 I8 V9	M1-M5 PolarHBondContact O-N 3.29Å; I2-M5 PolarHBondContact O-N 2.89Å; E3-M5 VanDerWaalsContact C-N 3.34Å; E3-M5 PolarHBondContact O-N 3.32Å; M5-F7 VanDerWaalsContact C-N 3.34Å; M5-F7 PolarHBondContact O-N 2.88Å; M5-I8 PolarHBondContact O-N 2.65Å; M5-V9 WeakPolarHBondContact O-CG2 3.49Å; M5-V9 PolarHBondContact O-N 3.06Å
6	L	66.9	Low	66.3	Low	114 Å²	114	118.1 Å²	118.1	60%	0.597	60%	0.597	S	S	*	*	H	α-helix	trans	-62.7	-40.8	179	-153.9	83.3	0	0	0	111.8	I2 E3 I8 V9 L10	I2-L6 PolarHBondContact O-N 2.79Å; I2-L6 VanDerWaalsContact O-N 3.14Å; E3-L6 PolarHBondContact O-N 3.01Å; L6-I8 VanDerWaalsContact C-N 3.35Å; L6-I8 PolarHBondContact O-N 3.47Å; L6-V9 PolarHBondContact O-N 3.11Å; L6-L10 HydrophobicContact CD2-CD1 4.49Å; L6-L10 HydrophobicContact CG-CD1 4.38Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 3.29Å
7	F	63.8	Low	65.6	Low	152 Å²	152	119.4 Å²	119.4	67%	0.667	60%	0.598	S	S	*	*	H	α-helix	trans	-64.6	-36	177.8	-121.4	-86.4	0	0	0	113.4	E3 M5 N11	E3-F7 PolarHBondContact O-N 3.39Å; M5-F7 VanDerWaalsContact C-N 3.34Å; M5-F7 PolarHBondContact O-N 2.88Å; F7-N11 WeakPolarHBondContact O-CB 3.34Å; F7-N11 PolarHBondContact O-N 3.37Å; F7-N11 VanDerWaalsContact O-N 3.15Å; F7-N11 PolarHBondContact O-ND2 3.5Å; F7-N11 VanDerWaalsContact O-ND2 3.1Å
8	I	69.9	Low	65	Low	92 Å²	92	117 Å²	117	47%	0.472	59%	0.586	S	S	.	*	H	α-helix	trans	-70.6	-45.8	176.7	-66.7	167.3	0	0	0	109.9	T4 M5 L6 L10 N11 V12	T4-I8 WeakPolarHBondContact O-CG1 3.38Å; T4-I8 PolarHBondContact O-N 3.14Å; M5-I8 PolarHBondContact O-N 2.65Å; L6-I8 VanDerWaalsContact C-N 3.35Å; L6-I8 PolarHBondContact O-N 3.47Å; I8-L10 PolarHBondContact O-N 2.79Å; I8-N11 PolarHBondContact O-N 3.26Å; I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 WeakPolarHBondContact O-CG2 3.49Å; I8-V12 PolarHBondContact O-N 3.28Å
9	V	71	Confident	64.1	Low	89 Å²	89	117.2 Å²	117.2	54%	0.539	59%	0.589	S	S	.	*	H	α-helix	trans	-61.3	-46.3	179	175.7	0	0	0	0	110.8	M5 L6 N11 V12 T13	M5-V9 WeakPolarHBondContact O-CG2 3.49Å; M5-V9 PolarHBondContact O-N 3.06Å; L6-V9 PolarHBondContact O-N 3.11Å; V9-N11 VanDerWaalsContact C-N 3.34Å; V9-N11 PolarHBondContact O-N 3Å; V9-V12 PolarHBondContact O-N 3.43Å; V9-T13 HydrophobicContact CG1-CG2 4.34Å; V9-T13 WeakPolarHBondContact O-CG2 3.39Å; V9-T13 PolarHBondContact O-N 2.9Å; V9-T13 PolarHBondContact O-OG1 3.5Å; V9-T13 VanDerWaalsContact O-OG1 3.09Å
10	L	68.9	Low	63.3	Low	106 Å²	106	117.8 Å²	117.8	56%	0.555	59%	0.589	S	S	*	*	H	α-helix	trans	-58.1	-42.9	175.6	-97.8	146.6	0	0	0	112.5	L6 I8 T13 M14	L6-L10 HydrophobicContact CD2-CD1 4.49Å; L6-L10 HydrophobicContact CG-CD1 4.38Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 3.29Å; I8-L10 PolarHBondContact O-N 2.79Å; L10-T13 WeakPolarHBondContact CA-OG1 3.23Å; L10-T13 PolarHBondContact O-OG1 2.8Å; L10-M14 VanDerWaalsContact O-CB 3.25Å; L10-M14 WeakPolarHBondContact O-CB 3.3Å; L10-M14 PolarHBondContact O-N 3.38Å
11	N	66.1	Low	62.5	Low	81 Å²	81	117.1 Å²	117.1	43%	0.433	59%	0.587	S	S	.	*	H	α-helix	trans	-66	-39.6	177.1	-96.8	-75.6	0	0	0	112.7	F7 I8 V9 R15	F7-N11 WeakPolarHBondContact O-CB 3.34Å; F7-N11 PolarHBondContact O-N 3.37Å; F7-N11 VanDerWaalsContact O-N 3.15Å; F7-N11 PolarHBondContact O-ND2 3.5Å; F7-N11 VanDerWaalsContact O-ND2 3.1Å; I8-N11 PolarHBondContact O-N 3.26Å; V9-N11 VanDerWaalsContact C-N 3.34Å; V9-N11 PolarHBondContact O-N 3Å; N11-R15 WeakPolarHBondContact O-CB 3.48Å; N11-R15 VanDerWaalsContact O-CG 3.25Å; N11-R15 WeakPolarHBondContact O-CG 3.22Å; N11-R15 PolarHBondContact O-N 3.24Å
12	V	71.4	Confident	61.6	Low	75 Å²	75	111.4 Å²	111.4	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-69.6	-43.8	179	174.3	0	0	0	0	110.6	I8 V9 M14 R15 I16	I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 WeakPolarHBondContact O-CG2 3.49Å; I8-V12 PolarHBondContact O-N 3.28Å; V9-V12 PolarHBondContact O-N 3.43Å; V12-M14 VanDerWaalsContact C-N 3.33Å; V12-M14 PolarHBondContact O-N 2.98Å; V12-R15 PolarHBondContact O-N 3.12Å; V12-I16 HydrophobicContact CG1-CD1 3.82Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.38Å; V12-I16 PolarHBondContact O-N 2.99Å
13	T	67.9	Low	60.5	Low	74 Å²	74	112.5 Å²	112.5	45%	0.454	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-39.2	176.8	52.7	0	0	0	0	111.7	V9 L10 I16 F17	V9-T13 HydrophobicContact CG1-CG2 4.34Å; V9-T13 WeakPolarHBondContact O-CG2 3.39Å; V9-T13 PolarHBondContact O-N 2.9Å; V9-T13 PolarHBondContact O-OG1 3.5Å; V9-T13 VanDerWaalsContact O-OG1 3.09Å; L10-T13 WeakPolarHBondContact CA-OG1 3.23Å; L10-T13 PolarHBondContact O-OG1 2.8Å; T13-I16 PolarHBondContact O-N 2.87Å; T13-F17 WeakPolarHBondContact O-CB 3.3Å; T13-F17 PolarHBondContact O-N 2.62Å
14	M	65.6	Low	59.7	Low	112 Å²	112	109.3 Å²	109.3	55%	0.552	55%	0.553	S	S	*	*	H	α-helix	trans	-69.1	-36.8	178.7	-147.1	-101.9	145.6	0	0	111.2	L10 V12 F17 I18	L10-M14 VanDerWaalsContact O-CB 3.25Å; L10-M14 WeakPolarHBondContact O-CB 3.3Å; L10-M14 PolarHBondContact O-N 3.38Å; V12-M14 VanDerWaalsContact C-N 3.33Å; V12-M14 PolarHBondContact O-N 2.98Å; M14-F17 PolarHBondContact O-N 3.32Å; M14-I18 HydrophobicContact CE-CD1 3.56Å; M14-I18 HydrophobicContact CE-CG1 3.72Å; M14-I18 WeakPolarHBondContact O-CB 3.44Å; M14-I18 VanDerWaalsContact O-CG1 3.23Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.22Å; M14-I18 HydrophobicContact SD-CD1 3.47Å; M14-I18 WeakPolarHBondContact SD-CD1 3.49Å; M14-I18 HydrophobicContact SD-CG1 4.16Å
15	R	63.3	Low	58.3	Low	170 Å²	170	106.1 Å²	106.1	64%	0.642	54%	0.538	S	S	*	.	H	α-helix	trans	-65.4	-41.5	171.5	-76	178.4	-178.5	-144.5	0.2	113	N11 V12 F17 I18 L19	N11-R15 WeakPolarHBondContact O-CB 3.48Å; N11-R15 VanDerWaalsContact O-CG 3.25Å; N11-R15 WeakPolarHBondContact O-CG 3.22Å; N11-R15 PolarHBondContact O-N 3.24Å; V12-R15 PolarHBondContact O-N 3.12Å; R15-F17 VanDerWaalsContact C-N 3.34Å; R15-I18 PolarHBondContact O-N 3.19Å; R15-L19 WeakPolarHBondContact O-CB 3.26Å; R15-L19 WeakPolarHBondContact O-CD1 3.28Å; R15-L19 PolarHBondContact O-N 2.87Å
16	I	64.7	Low	57	Low	101 Å²	101	102.9 Å²	102.9	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-40.2	175.7	-67.6	167.1	0	0	0	110.2	V12 T13 L19 H20	V12-I16 HydrophobicContact CG1-CD1 3.82Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.38Å; V12-I16 PolarHBondContact O-N 2.99Å; T13-I16 PolarHBondContact O-N 2.87Å; I16-L19 PolarHBondContact O-N 2.85Å; I16-H20 PolarHBondContact O-N 3.44Å
17	F	54.7	Low	55.7	Low	139 Å²	139	104.4 Å²	104.4	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-66.8	-42.1	177.7	-153	-100.2	0	0	0	111.8	T13 M14 R15 H20 I21	T13-F17 WeakPolarHBondContact O-CB 3.3Å; T13-F17 PolarHBondContact O-N 2.62Å; M14-F17 PolarHBondContact O-N 3.32Å; R15-F17 VanDerWaalsContact C-N 3.34Å; F17-H20 PolarHBondContact O-N 2.93Å; F17-I21 HydrophobicContact CD1-CD1 3.57Å; F17-I21 HydrophobicContact CD1-CG1 4.24Å; F17-I21 HydrophobicContact CE1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CG1 4.3Å; F17-I21 WeakPolarHBondContact O-CG1 3.26Å; F17-I21 PolarHBondContact O-N 3.32Å
18	I	54.4	Low	54.6	Low	77 Å²	77	101.5 Å²	101.5	40%	0.395	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-45	171.8	-68.5	164.2	0	0	0	110.4	M14 R15 H20 I21 C22	M14-I18 HydrophobicContact CE-CD1 3.56Å; M14-I18 HydrophobicContact CE-CG1 3.72Å; M14-I18 WeakPolarHBondContact O-CB 3.44Å; M14-I18 VanDerWaalsContact O-CG1 3.23Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.22Å; M14-I18 HydrophobicContact SD-CD1 3.47Å; M14-I18 WeakPolarHBondContact SD-CD1 3.49Å; M14-I18 HydrophobicContact SD-CG1 4.16Å; R15-I18 PolarHBondContact O-N 3.19Å; I18-H20 VanDerWaalsContact C-N 3.29Å; I18-H20 PolarHBondContact O-N 3.29Å; I18-I21 PolarHBondContact O-N 3.18Å; I18-C22 WeakPolarHBondContact O-CB 3.33Å; I18-C22 PolarHBondContact O-N 3.14Å; I18-C22 PolarHBondContact O-SG 3.17Å
19	L	48.2	Very low	52.7	Low	120 Å²	120	104.7 Å²	104.7	63%	0.628	53%	0.53	S	S	*	.	H	α-helix	trans	-61.1	-37.1	176.4	-92.3	150.7	0	0	0	112.3	R15 I16 C22 Y23	R15-L19 WeakPolarHBondContact O-CB 3.26Å; R15-L19 WeakPolarHBondContact O-CD1 3.28Å; R15-L19 PolarHBondContact O-N 2.87Å; I16-L19 PolarHBondContact O-N 2.85Å; L19-C22 PolarHBondContact O-N 2.95Å; L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.45Å
20	H	48	Very low	50.9	Low	129 Å²	129	104.4 Å²	104.4	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-70.7	-41.4	174.6	-109.4	19.2	0	0	0	112.6	I16 F17 I18 C22 Y23 V24	I16-H20 PolarHBondContact O-N 3.44Å; F17-H20 PolarHBondContact O-N 2.93Å; I18-H20 VanDerWaalsContact C-N 3.29Å; I18-H20 PolarHBondContact O-N 3.29Å; H20-C22 VanDerWaalsContact C-N 3.3Å; H20-C22 PolarHBondContact O-N 2.86Å; H20-Y23 PolarHBondContact O-N 3.08Å; H20-Y23 VanDerWaalsContact O-N 3.14Å; H20-V24 WeakPolarHBondContact O-CG2 3.41Å; H20-V24 PolarHBondContact O-N 3.44Å
21	I	47.9	Very low	49.7	Very low	105 Å²	105	102.6 Å²	102.6	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-40.5	173.1	-66.5	166.5	0	0	0	110.2	F17 I18 Y23 G25	F17-I21 HydrophobicContact CD1-CD1 3.57Å; F17-I21 HydrophobicContact CD1-CG1 4.24Å; F17-I21 HydrophobicContact CE1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CG1 4.3Å; F17-I21 WeakPolarHBondContact O-CG1 3.26Å; F17-I21 PolarHBondContact O-N 3.32Å; I18-I21 PolarHBondContact O-N 3.18Å; I21-Y23 VanDerWaalsContact C-N 3.32Å; I21-Y23 PolarHBondContact O-N 3.31Å; I21-G25 PolarHBondContact O-N 3.42Å
22	C	43.3	Very low	48.5	Very low	78 Å²	78	100.9 Å²	100.9	53%	0.527	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-37.2	173.7	-71.2	0	0	0	0	112	I18 L19 H20 T26	I18-C22 WeakPolarHBondContact O-CB 3.33Å; I18-C22 PolarHBondContact O-N 3.14Å; I18-C22 PolarHBondContact O-SG 3.17Å; L19-C22 PolarHBondContact O-N 2.95Å; H20-C22 VanDerWaalsContact C-N 3.3Å; H20-C22 PolarHBondContact O-N 2.86Å; C22-T26 VanDerWaalsContact O-CG2 3.32Å; C22-T26 WeakPolarHBondContact O-CG2 3.4Å; C22-T26 PolarHBondContact O-N 3.28Å
23	Y	42.9	Very low	47	Very low	173 Å²	173	101.9 Å²	101.9	68%	0.678	51%	0.506	S	S	*	.	H	α-helix	trans	-71	-42.9	178.4	-161	-97.9	0	0	0	112	L19 H20 I21 G25 T26	L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.45Å; H20-Y23 PolarHBondContact O-N 3.08Å; H20-Y23 VanDerWaalsContact O-N 3.14Å; I21-Y23 VanDerWaalsContact C-N 3.32Å; I21-Y23 PolarHBondContact O-N 3.31Å; Y23-G25 VanDerWaalsContact C-N 3.3Å; Y23-G25 PolarHBondContact O-N 2.92Å; Y23-T26 WeakPolarHBondContact O-CB 3.41Å; Y23-T26 PolarHBondContact O-N 3.21Å; Y23-T26 VanDerWaalsContact O-N 3.11Å; Y23-T26 PolarHBondContact O-OG1 2.91Å
24	V	44.6	Very low	45.7	Very low	99 Å²	99	102.1 Å²	102.1	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-68.3	-33	175.4	-178.9	0	0	0	0	110.9	H20 T26 E27	H20-V24 WeakPolarHBondContact O-CG2 3.41Å; H20-V24 PolarHBondContact O-N 3.44Å; V24-T26 PolarHBondContact O-N 3.14Å; V24-E27 PolarHBondContact O-N 2.92Å
25	G	38	Very low	44.8	Very low	26 Å²	26	98.6 Å²	98.6	27%	0.268	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-21.6	171.5	0	0	0	0	0	114.2	I21 Y23 E27 V28 W29	I21-G25 PolarHBondContact O-N 3.42Å; Y23-G25 VanDerWaalsContact C-N 3.3Å; Y23-G25 PolarHBondContact O-N 2.92Å; G25-E27 PolarHBondContact O-N 2.93Å; G25-V28 PolarHBondContact O-N 3.31Å; G25-W29 PolarHBondContact O-N 3.25Å
26	T	35.3	Very low	43.8	Very low	48 Å²	48	95.9 Å²	95.9	29%	0.294	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-22.5	-180	66.2	0	0	0	0	113.8	C22 Y23 V24 V28 W29 N30	C22-T26 VanDerWaalsContact O-CG2 3.32Å; C22-T26 WeakPolarHBondContact O-CG2 3.4Å; C22-T26 PolarHBondContact O-N 3.28Å; Y23-T26 WeakPolarHBondContact O-CB 3.41Å; Y23-T26 PolarHBondContact O-N 3.21Å; Y23-T26 VanDerWaalsContact O-N 3.11Å; Y23-T26 PolarHBondContact O-OG1 2.91Å; V24-T26 PolarHBondContact O-N 3.14Å; T26-V28 PolarHBondContact O-N 2.6Å; T26-W29 PolarHBondContact O-N 3.05Å; T26-N30 VanDerWaalsContact O-CB 3.25Å; T26-N30 WeakPolarHBondContact O-CB 3.24Å; T26-N30 PolarHBondContact O-N 3.26Å; T26-N30 PolarHBondContact O-ND2 3.18Å
27	E	39.9	Very low	42.4	Very low	146 Å²	146	96.6 Å²	96.6	68%	0.682	48%	0.481	S	S	*	.	H	α-helix	trans	-65.9	-38.6	177.9	-69.6	-173.1	168.3	0	0	112	V24 G25 N30 E31	V24-E27 PolarHBondContact O-N 2.92Å; G25-E27 PolarHBondContact O-N 2.93Å; E27-N30 PolarHBondContact O-N 2.91Å; E27-E31 PolarHBondContact O-N 3.5Å
28	V	40	Very low	41.9	Very low	92 Å²	92	93.9 Å²	93.9	56%	0.558	47%	0.473	S	S	*	.	H	α-helix	trans	-70.3	-40.5	175.8	179.4	0	0	0	0	111.3	G25 T26 N30 E31 E32	G25-V28 PolarHBondContact O-N 3.31Å; T26-V28 PolarHBondContact O-N 2.6Å; V28-N30 VanDerWaalsContact C-N 3.35Å; V28-E31 PolarHBondContact O-N 3.31Å; V28-E32 PolarHBondContact O-N 3.07Å
29	W	31	Very low	41.5	Very low	158 Å²	158	94.8 Å²	94.8	60%	0.598	47%	0.474	S	S	*	.	H	α-helix	trans	-69.1	-33	176.7	-62.7	108	0	0	0	112.6	G25 T26 E31 E32 L33	G25-W29 PolarHBondContact O-N 3.25Å; T26-W29 PolarHBondContact O-N 3.05Å; W29-E31 VanDerWaalsContact C-N 3.3Å; W29-E31 PolarHBondContact O-N 3.09Å; W29-E32 PolarHBondContact O-N 3.11Å; W29-L33 PolarHBondContact O-N 3.06Å
30	N	33.1	Very low	41.4	Very low	83 Å²	83	95.6 Å²	95.6	44%	0.444	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-37.3	175.2	-77.3	-22.8	0	0	0	110.8	T26 E27 V28 L33 L34	T26-N30 VanDerWaalsContact O-CB 3.25Å; T26-N30 WeakPolarHBondContact O-CB 3.24Å; T26-N30 PolarHBondContact O-N 3.26Å; T26-N30 PolarHBondContact O-ND2 3.18Å; E27-N30 PolarHBondContact O-N 2.91Å; V28-N30 VanDerWaalsContact C-N 3.35Å; N30-L33 PolarHBondContact O-N 2.98Å; N30-L34 VanDerWaalsContact O-CB 3.22Å; N30-L34 WeakPolarHBondContact O-CB 3.4Å; N30-L34 WeakPolarHBondContact O-CD1 3.14Å; N30-L34 WeakPolarHBondContact O-CG 3.26Å; N30-L34 PolarHBondContact O-N 3.29Å
31	E	43.9	Very low	41.1	Very low	68 Å²	68	96.2 Å²	96.2	32%	0.318	49%	0.485	S	S	.	.	H	α-helix	trans	-63.1	-40.8	172.9	-72.2	-167	162	0	0	111.9	E27 V28 W29 L34 L35	E27-E31 PolarHBondContact O-N 3.5Å; V28-E31 PolarHBondContact O-N 3.31Å; W29-E31 VanDerWaalsContact C-N 3.3Å; W29-E31 PolarHBondContact O-N 3.09Å; E31-L34 PolarHBondContact O-N 3.44Å; E31-L35 VanDerWaalsContact O-CB 3.31Å; E31-L35 WeakPolarHBondContact O-CB 2.92Å; E31-L35 WeakPolarHBondContact O-CD1 3.41Å; E31-L35 WeakPolarHBondContact O-CG 3.42Å; E31-L35 PolarHBondContact O-N 3.17Å
32	E	41.2	Very low	41.2	Very low	45 Å²	45	92.5 Å²	92.5	21%	0.21	47%	0.473	C	S	.	.	H	α-helix	trans	-69.3	-35.3	177.5	-153	-157.6	148	0	0	113	V28 W29 L35 K36	V28-E32 PolarHBondContact O-N 3.07Å; W29-E32 PolarHBondContact O-N 3.11Å; E32-L35 WeakPolarHBondContact O-CB 3.36Å; E32-L35 PolarHBondContact O-N 3.31Å; E32-K36 PolarHBondContact O-N 2.86Å; E32-K36 IonicContact OE1-NZ 3.93Å; E32-K36 PolarHBondContact OE1-NZ 3.44Å
33	L	39.4	Very low	41.6	Very low	97 Å²	97	92.9 Å²	92.9	51%	0.508	47%	0.474	S	S	.	.	H	α-helix	trans	-70.1	-43.8	175.3	-147.1	95.3	0	0	0	111	W29 N30 L35 K36 E37	W29-L33 PolarHBondContact O-N 3.06Å; N30-L33 PolarHBondContact O-N 2.98Å; L33-L35 VanDerWaalsContact C-N 3.26Å; L33-L35 PolarHBondContact O-N 2.95Å; L33-K36 PolarHBondContact O-N 2.88Å; L33-E37 PolarHBondContact O-N 2.85Å
34	L	40.3	Very low	42.3	Very low	78 Å²	78	91 Å²	91	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-35.6	172.7	-73	168.2	0	0	0	111.3	N30 E31 N38	N30-L34 VanDerWaalsContact O-CB 3.22Å; N30-L34 WeakPolarHBondContact O-CB 3.4Å; N30-L34 WeakPolarHBondContact O-CD1 3.14Å; N30-L34 WeakPolarHBondContact O-CG 3.26Å; N30-L34 PolarHBondContact O-N 3.29Å; E31-L34 PolarHBondContact O-N 3.44Å; L34-N38 VanDerWaalsContact O-CB 3.31Å; L34-N38 WeakPolarHBondContact O-CB 3.5Å; L34-N38 VanDerWaalsContact O-CG 3.28Å; L34-N38 PolarHBondContact O-N 3.42Å; L34-N38 PolarHBondContact O-ND2 3.19Å
35	L	46.8	Very low	44	Very low	38 Å²	38	89.5 Å²	89.5	20%	0.199	47%	0.47	C	S	.	.	H	α-helix	trans	-60.2	-56.6	170.7	-76.9	163.9	0	0	0	109.5	E31 E32 L33 E37 N38 F39 F159	E31-L35 VanDerWaalsContact O-CB 3.31Å; E31-L35 WeakPolarHBondContact O-CB 2.92Å; E31-L35 WeakPolarHBondContact O-CD1 3.41Å; E31-L35 WeakPolarHBondContact O-CG 3.42Å; E31-L35 PolarHBondContact O-N 3.17Å; E32-L35 WeakPolarHBondContact O-CB 3.36Å; E32-L35 PolarHBondContact O-N 3.31Å; L33-L35 VanDerWaalsContact C-N 3.26Å; L33-L35 PolarHBondContact O-N 2.95Å; L35-E37 PolarHBondContact O-N 3.07Å; L35-N38 PolarHBondContact O-N 2.55Å; L35-F39 HydrophobicContact CB-CE2 4.35Å; L35-F39 WeakPolarHBondContact O-CD2 3.35Å; L35-F39 PolarHBondContact O-N 2.83Å; L35-F159 HydrophobicContact CD1-CE2 4.39Å; L35-F159 HydrophobicContact CD2-CD2 3.65Å; L35-F159 HydrophobicContact CD2-CE2 3.38Å; L35-F159 HydrophobicContact CD2-CZ 4.25Å; L35-F159 HydrophobicContact CG-CE2 4.38Å
36	K	41.8	Very low	46.4	Very low	114 Å²	114	90.5 Å²	90.5	50%	0.496	47%	0.469	S	S	.	.	H	α-helix	trans	-55.9	-40.9	178.7	-81.7	175.2	-174.3	139	0	114.2	E32 L33 F39	E32-K36 PolarHBondContact O-N 2.86Å; E32-K36 IonicContact OE1-NZ 3.93Å; E32-K36 PolarHBondContact OE1-NZ 3.44Å; L33-K36 PolarHBondContact O-N 2.88Å; K36-F39 WeakPolarHBondContact O-CB 3.2Å; K36-F39 PolarHBondContact O-N 3.48Å
37	E	35.7	Very low	49	Very low	116 Å²	116	89.7 Å²	89.7	54%	0.542	47%	0.465	S	S	.	.	H	α-helix	trans	-71.2	-36.7	178.8	-72.3	-173.2	164.5	0	0	112.2	L33 L35 F39 I40	L33-E37 PolarHBondContact O-N 2.85Å; L35-E37 PolarHBondContact O-N 3.07Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 2.91Å; E37-I40 PolarHBondContact O-N 3.37Å
38	N	43.7	Very low	51.3	Low	82 Å²	82	90 Å²	90	44%	0.439	47%	0.466	S	S	.	.	H	α-helix	trans	-69.7	-23	173.7	-74.4	-35.1	0	0	0	113.2	L34 L35 I40 G42	L34-N38 VanDerWaalsContact O-CB 3.31Å; L34-N38 WeakPolarHBondContact O-CB 3.5Å; L34-N38 VanDerWaalsContact O-CG 3.28Å; L34-N38 PolarHBondContact O-N 3.42Å; L34-N38 PolarHBondContact O-ND2 3.19Å; L35-N38 PolarHBondContact O-N 2.55Å; N38-I40 VanDerWaalsContact C-N 3.25Å; N38-I40 PolarHBondContact O-N 2.84Å; N38-G42 PolarHBondContact O-N 3.45Å
39	F	47	Very low	53.7	Low	96 Å²	96	91.1 Å²	91.1	42%	0.421	47%	0.469	S	S	.	.	H	α-helix	trans	-63.8	-26.2	171.7	-84.6	-89.8	0	0	0	113.3	L35 K36 E37 P226	L35-F39 HydrophobicContact CB-CE2 4.35Å; L35-F39 WeakPolarHBondContact O-CD2 3.35Å; L35-F39 PolarHBondContact O-N 2.83Å; K36-F39 WeakPolarHBondContact O-CB 3.2Å; K36-F39 PolarHBondContact O-N 3.48Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 2.91Å; F39-P226 HydrophobicContact CD1-CB 4.14Å; F39-P226 HydrophobicContact CE1-CB 3.71Å; F39-P226 HydrophobicContact CE1-CG 4.43Å; F39-P226 WeakPolarHBondContact CE1-O 3.19Å; F39-P226 WeakPolarHBondContact CZ-O 3.39Å
40	I	45.5	Very low	56.6	Low	136 Å²	136	84.3 Å²	84.3	70%	0.697	45%	0.448	S	S	*	.	H	α-helix	trans	-83.6	-28.9	-174.4	-60.6	176.4	0	0	0	111.9	E37 N38	E37-I40 PolarHBondContact O-N 3.37Å; N38-I40 VanDerWaalsContact C-N 3.25Å; N38-I40 PolarHBondContact O-N 2.84Å
41	N	42.2	Very low	59.5	Low	142 Å²	142	87.9 Å²	87.9	76%	0.759	46%	0.455	S	S	*	.	H	α-helix	trans	-115.1	11	-171.4	-66.4	-40	0	0	0	114.9
42	G	49.4	Very low	62	Low	27 Å²	27	88.6 Å²	88.6	28%	0.278	46%	0.458	S	S	.	.	S	Bend	trans	-66.5	152.4	175.4	0	0	0	0	0	113.2	N38 T44	N38-G42 PolarHBondContact O-N 3.45Å; G42-T44 PolarHBondContact O-N 2.76Å
43	P	51.3	Low	64.7	Low	86 Å²	86	86.7 Å²	86.7	56%	0.558	45%	0.449	S	S	*	.			trans	-55.7	133.4	176	22.3	-31.5	0	0	0	110.4	N45 L46	P43-N45 PolarHBondContact O-N 3.15Å; P43-L46 HydrophobicContact CG-CD1 3.94Å; P43-L46 HydrophobicContact CG-CG 4.18Å
44	T	59.1	Low	67.5	Low	135 Å²	135	82 Å²	82	83%	0.828	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	113.3	-170.2	41	0	0	0	0	111.5	G42	G42-T44 PolarHBondContact O-N 2.76Å
45	N	80.1	Confident	70.2	Confident	67 Å²	67	78.3 Å²	78.3	36%	0.358	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	42.5	161	-156.8	7.4	0	0	0	117.4	P43 C47 Q48 N49	P43-N45 PolarHBondContact O-N 3.15Å; N45-C47 PolarHBondContact O-N 2.9Å; N45-Q48 PolarHBondContact ND2-OE1 3.36Å; N45-Q48 PolarHBondContact O-N 2.68Å; N45-Q48 VanDerWaalsContact O-N 3.16Å; N45-Q48 VanDerWaalsContact OD1-CB 3.26Å; N45-Q48 WeakPolarHBondContact OD1-CB 3.4Å; N45-Q48 WeakPolarHBondContact OD1-CG 3.49Å; N45-Q48 PolarHBondContact OD1-N 3.45Å; N45-N49 PolarHBondContact O-N 3.26Å
46	L	87.7	Confident	72.7	Confident	47 Å²	47	76.5 Å²	76.5	25%	0.246	40%	0.396	C	S	.	.	H	α-helix	trans	-53.5	-34.4	170.1	-74.9	176.6	0	0	0	112.9	P43 Q48 N49 G50 Q53 P227 H229	P43-L46 HydrophobicContact CG-CD1 3.94Å; P43-L46 HydrophobicContact CG-CG 4.18Å; L46-Q48 PolarHBondContact O-N 3.45Å; L46-N49 PolarHBondContact O-N 3.05Å; L46-G50 WeakPolarHBondContact O-CA 3.42Å; L46-G50 PolarHBondContact O-N 3.44Å; L46-Q53 PolarHBondContact O-NE2 3.34Å; L46-P227 WeakPolarHBondContact CB-O 3.37Å; L46-H229 WeakPolarHBondContact CD1-ND1 3.44Å
47	C	90.6	Very high	75.3	Confident	31 Å²	31	73.4 Å²	73.4	21%	0.209	39%	0.385	C	S	.	.	H	α-helix	trans	-57.8	-33.8	178.8	-58.2	0	0	0	0	113.8	N45 C228 R270	N45-C47 PolarHBondContact O-N 2.9Å; C47-C228 VanDerWaalsContact CA-SG 3.58Å; C47-C228 HydrophobicContact CB-CB 3.81Å; C47-C228 WeakPolarHBondContact CB-SG 3.4Å; C47-C228 WeakPolarHBondContact SG-CB 3.33Å; C47-C228 CovalentContact SG-SG 2.04Å; C47-C228 PolarHBondContact SG-SG 2.75Å; C47-R270 PolarHBondContact O-NH2 2.04Å
48	Q	88.5	Confident	78.3	Confident	152 Å²	152	67.9 Å²	67.9	71%	0.71	36%	0.359	S	S	*	.	H	α-helix	trans	-98.3	-31.9	179.6	-63.9	174.8	13.2	0	0	112.8	N45 L46	N45-Q48 PolarHBondContact ND2-OE1 3.36Å; N45-Q48 PolarHBondContact O-N 2.68Å; N45-Q48 VanDerWaalsContact O-N 3.16Å; N45-Q48 VanDerWaalsContact OD1-CB 3.26Å; N45-Q48 WeakPolarHBondContact OD1-CB 3.4Å; N45-Q48 WeakPolarHBondContact OD1-CG 3.49Å; N45-Q48 PolarHBondContact OD1-N 3.45Å; L46-Q48 PolarHBondContact O-N 3.45Å
49	N	89.6	Confident	80.7	Confident	115 Å²	115	66.9 Å²	66.9	62%	0.615	35%	0.353	S	S	*	.	H	α-helix	trans	-97.7	-13.8	-172.6	-65.2	-32.6	0	0	0	113.9	N45 L46	N45-N49 PolarHBondContact O-N 3.26Å; L46-N49 PolarHBondContact O-N 3.05Å
50	G	92.1	Very high	82.8	Confident	16 Å²	16	65 Å²	65	17%	0.165	35%	0.349	C	S	.	.			trans	-63	143.7	180	0	0	0	0	0	112.9	L46 E230	L46-G50 WeakPolarHBondContact O-CA 3.42Å; L46-G50 PolarHBondContact O-N 3.44Å; G50-E230 WeakPolarHBondContact CA-OE1 3.13Å
51	R	94.4	Very high	85	Confident	158 Å²	158	66.3 Å²	66.3	60%	0.596	35%	0.35	S	S	*	.	S	Bend	trans	-99.6	-10.3	-179.3	-59.7	-169.5	71.7	86.2	1.3	113.2	E230 N276	R51-E230 PolarHBondContact N-OE1 2.9Å; R51-N276 PolarHBondContact O-ND2 3.49Å
52	H	96	Very high	87.4	Confident	82 Å²	82	63.9 Å²	63.9	38%	0.38	34%	0.336	S	S	.	.	S	Bend	trans	-121.7	36.4	178.8	-53.4	126.2	0	0	0	111.4	G221 S222 E230 R278	H52-G221 CarbonylContact O-C 3.19Å; H52-G221 WeakPolarHBondContact O-CA 3.24Å; H52-S222 PolarHBondContact O-N 3.31Å; H52-E230 WeakPolarHBondContact CA-OE1 3.18Å; H52-E230 HydrophobicContact CB-CB 4.3Å; H52-E230 HydrophobicContact CB-CG 4.28Å; H52-E230 IonicContact CG-OE2 3.89Å; H52-E230 VanDerWaalsContact N-CD 3.32Å; H52-E230 PolarHBondContact N-OE1 2.76Å; H52-E230 PolarHBondContact N-OE2 3.04Å; H52-E230 IonicContact ND1-OE2 3.52Å; H52-R278 VanDerWaalsContact CD2-CD 3.41Å; H52-R278 WeakPolarHBondContact CD2-CD 3.03Å; H52-R278 VanDerWaalsContact CD2-CG 3.47Å; H52-R278 WeakPolarHBondContact CD2-CG 3.21Å; H52-R278 PolarHBondContact O-NH1 3.21Å
53	Q	97	Very high	89.5	Confident	5 Å²	5	63.9 Å²	63.9	2%	0.023	33%	0.33	C	S	.	.			trans	-67.3	151.6	-179.9	-66.2	-64	-59.6	0	0	113.1	L46 S222 C228 E230 R270 Q273 R278	L46-Q53 PolarHBondContact O-NE2 3.34Å; Q53-S222 WeakPolarHBondContact CA-OG 3.34Å; Q53-S222 PolarHBondContact OE1-OG 3.48Å; Q53-C228 PolarHBondContact NE2-O 3.4Å; Q53-E230 PolarHBondContact N-OE1 3.19Å; Q53-E230 PolarHBondContact NE2-OE1 3.32Å; Q53-R270 VanDerWaalsContact OE1-NH1 3.08Å; Q53-Q273 HydrophobicContact CB-CB 3.86Å; Q53-Q273 HydrophobicContact CB-CG 3.79Å; Q53-R278 PolarHBondContact O-NH1 3.34Å; Q53-R278 PolarHBondContact O-NH2 3.14Å
54	S	97.9	Very high	91.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-126.6	159.5	178.1	-59.9	0	0	0	0	110.7	Y219 G221 S222 W234 R270	S54-Y219 VanDerWaalsContact CB-OH 3.3Å; S54-Y219 WeakPolarHBondContact CB-OH 3.2Å; S54-Y219 WeakPolarHBondContact OG-CE2 3.43Å; S54-Y219 PolarHBondContact OG-OH 3.49Å; S54-G221 WeakPolarHBondContact OG-CA 3.49Å; S54-S222 VanDerWaalsContact CB-O 3.26Å; S54-S222 WeakPolarHBondContact CB-O 3.27Å; S54-S222 PolarHBondContact N-OG 3.48Å; S54-S222 PolarHBondContact OG-N 3.44Å; S54-S222 PolarHBondContact OG-O 3.31Å; S54-W234 PolarHBondContact OG-NE1 3.45Å; S54-R270 WeakPolarHBondContact O-CD 3.41Å; S54-R270 PolarHBondContact O-NE 3.43Å; S54-R270 PolarHBondContact O-NH1 2.88Å; S54-R270 VanDerWaalsContact O-NH1 3.15Å
55	P	98	Very high	93.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.			cis	-73.5	170.5	-2.3	33.7	-39.3	0	0	0	112.6	E130 R270 Q273	P55-E130 VanDerWaalsContact CB-C 3.43Å; P55-E130 HydrophobicContact CB-CB 3.89Å; P55-E130 VanDerWaalsContact CB-O 3.28Å; P55-E130 WeakPolarHBondContact CB-O 3.14Å; P55-E130 HydrophobicContact CG-CB 3.75Å; P55-E130 HydrophobicContact CG-CG 4.45Å; P55-E130 WeakPolarHBondContact CG-O 3.45Å; P55-R270 WeakPolarHBondContact CG-O 3.07Å; P55-Q273 WeakPolarHBondContact O-CB 3.14Å; P55-Q273 PolarHBondContact O-N 3.39Å
56	I	98.2	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-119.7	159.7	173.3	59.8	167.3	0	0	0	111.5	I58 T132 Y219 I275 R278 V280	I56-I58 HydrophobicContact CD1-CG1 3.96Å; I56-I58 HydrophobicContact CG1-CG1 4Å; I56-T132 PolarHBondContact O-N 3.2Å; I56-Y219 HydrophobicContact CD1-CD1 3.64Å; I56-Y219 HydrophobicContact CD1-CD2 3.85Å; I56-Y219 HydrophobicContact CD1-CE1 3.71Å; I56-Y219 HydrophobicContact CD1-CE2 3.96Å; I56-Y219 HydrophobicContact CD1-CG 3.71Å; I56-Y219 HydrophobicContact CG1-CD1 4.18Å; I56-Y219 HydrophobicContact CG1-CD2 4.46Å; I56-Y219 HydrophobicContact CG1-CE1 3.71Å; I56-Y219 HydrophobicContact CG1-CE2 4.07Å; I56-Y219 HydrophobicContact CG2-CE2 4.19Å; I56-I275 HydrophobicContact CB-CD1 4.41Å; I56-I275 HydrophobicContact CD1-CD1 3.47Å; I56-I275 VanDerWaalsContact CD1-CD1 3.47Å; I56-I275 HydrophobicContact CG2-CD1 4.26Å; I56-R278 VanDerWaalsContact CG2-NH2 3.27Å; I56-V280 HydrophobicContact CD1-CG2 3.67Å
57	N	97.8	Very high	93.8	Very high	48 Å²	48	64.1 Å²	64.1	26%	0.257	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.4	160	176.5	34.3	0	0	0	109.4	T132 D134 G135 T272	N57-T132 WeakPolarHBondContact CA-OG1 3.25Å; N57-T132 VanDerWaalsContact CB-OG1 3.31Å; N57-T132 WeakPolarHBondContact CB-OG1 3.36Å; N57-T132 PolarHBondContact OD1-O 3.4Å; N57-T132 PolarHBondContact OD1-OG1 2.87Å; N57-T132 VanDerWaalsContact OD1-OG1 3.11Å; N57-D134 PolarHBondContact OD1-N 2.88Å; N57-G135 PolarHBondContact OD1-N 2.9Å; N57-T272 HydrophobicContact CB-CG2 4.36Å
58	I	97.3	Very high	93.8	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.2	179.2	-59.4	169.1	0	0	0	108.3	I56 L63 T132 I133 D134 M217 I236 V280	I56-I58 HydrophobicContact CD1-CG1 3.96Å; I56-I58 HydrophobicContact CG1-CG1 4Å; I58-L63 HydrophobicContact CG2-CD2 3.85Å; I58-T132 PolarHBondContact N-O 2.98Å; I58-I133 HydrophobicContact CB-CD1 3.7Å; I58-I133 HydrophobicContact CD1-CD1 3.83Å; I58-I133 HydrophobicContact CG1-CD1 4.24Å; I58-I133 HydrophobicContact CG2-CD1 4.21Å; I58-I133 WeakPolarHBondContact O-CA 3.48Å; I58-D134 PolarHBondContact O-N 2.99Å; I58-M217 HydrophobicContact CG2-SD 3.77Å; I58-I236 HydrophobicContact CD1-CB 4.3Å; I58-I236 HydrophobicContact CD1-CG1 3.72Å; I58-I236 HydrophobicContact CD1-CG2 4.33Å; I58-V280 HydrophobicContact CG2-CG1 4.16Å
59	M	94.9	Very high	94	Very high	62 Å²	62	60.3 Å²	60.3	31%	0.305	30%	0.303	S	S	.	.			trans	-87.5	112.6	174.4	-67.8	-172.8	-75.1	0	0	109.5	K61 N62 D134	M59-K61 HydrophobicContact CB-CG 4.24Å; M59-K61 PolarHBondContact O-N 3.47Å; M59-N62 HydrophobicContact CB-CB 4.17Å; M59-N62 WeakPolarHBondContact CE-ND2 3.28Å; M59-N62 PolarHBondContact O-N 3.3Å; M59-D134 WeakPolarHBondContact CA-OD1 3.29Å
60	T	91.8	Very high	94	Very high	55 Å²	55	57.9 Å²	57.9	34%	0.337	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-59.5	-36	-176	55.6	0	0	0	0	112.1	N62 L63 I133 D134	T60-N62 PolarHBondContact O-N 3.15Å; T60-L63 WeakPolarHBondContact O-CB 3.44Å; T60-L63 WeakPolarHBondContact O-CG 3.42Å; T60-L63 PolarHBondContact O-N 3.1Å; T60-I133 HydrophobicContact CG2-CG2 3.66Å; T60-D134 WeakPolarHBondContact CB-OD2 3.32Å; T60-D134 WeakPolarHBondContact CG2-OD2 3.46Å; T60-D134 PolarHBondContact N-OD1 2.81Å; T60-D134 VanDerWaalsContact OG1-CG 3.31Å; T60-D134 PolarHBondContact OG1-OD1 2.82Å; T60-D134 PolarHBondContact OG1-OD2 3.23Å
61	K	91.1	Very high	93.8	Very high	165 Å²	165	59 Å²	59	72%	0.717	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18.4	175.3	60.4	165.9	-173.7	-175	0	115.3	M59	M59-K61 HydrophobicContact CB-CG 4.24Å; M59-K61 PolarHBondContact O-N 3.47Å
62	N	92.1	Very high	93.6	Very high	90 Å²	90	51.8 Å²	51.8	48%	0.481	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-107.3	6.2	-177.3	-71.8	14.2	0	0	0	112.2	M59 T60 V64	M59-N62 HydrophobicContact CB-CB 4.17Å; M59-N62 WeakPolarHBondContact CE-ND2 3.28Å; M59-N62 PolarHBondContact O-N 3.3Å; T60-N62 PolarHBondContact O-N 3.15Å; N62-V64 PolarHBondContact O-N 2.72Å
63	L	94.3	Very high	93.4	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.147	29%	0.287	C	S	.	.			trans	-64.3	131.8	177.4	-69.2	174	0	0	0	110.3	I58 T60 M217 V280 T282 F286	I58-L63 HydrophobicContact CG2-CD2 3.85Å; T60-L63 WeakPolarHBondContact O-CB 3.44Å; T60-L63 WeakPolarHBondContact O-CG 3.42Å; T60-L63 PolarHBondContact O-N 3.1Å; L63-M217 HydrophobicContact CD1-CG 4.22Å; L63-M217 HydrophobicContact CD1-SD 3.86Å; L63-M217 HydrophobicContact CD2-CB 4.47Å; L63-M217 HydrophobicContact CD2-CG 3.95Å; L63-M217 HydrophobicContact CD2-SD 3.94Å; L63-V280 HydrophobicContact CD2-CB 3.85Å; L63-V280 HydrophobicContact CD2-CG1 3.48Å; L63-V280 VanDerWaalsContact CD2-CG1 3.48Å; L63-T282 HydrophobicContact CB-CG2 3.91Å; L63-T282 HydrophobicContact CD1-CG2 4.34Å; L63-F286 HydrophobicContact CD1-CE2 4.15Å; L63-F286 HydrophobicContact CD1-CZ 3.83Å
64	V	94.3	Very high	93.3	Very high	68 Å²	68	55 Å²	55	41%	0.412	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.8	175.1	-179.3	0	0	0	0	108	N62 D66 V280 R281 T282	N62-V64 PolarHBondContact O-N 2.72Å; V64-D66 PolarHBondContact O-N 2.8Å; V64-V280 PolarHBondContact N-O 3.42Å; V64-R281 CarbonylContact O-C 3.59Å; V64-R281 VanDerWaalsContact O-CA 3.24Å; V64-R281 WeakPolarHBondContact O-CA 3.43Å; V64-T282 PolarHBondContact O-N 3.22Å
65	Y	93.5	Very high	93.1	Very high	87 Å²	87	60.1 Å²	60.1	34%	0.341	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.2	175	-177.4	-125.5	0	0	0	110.3	H67 T282 N283 I284 N285	Y65-H67 AromaticContact CD1-CD2 3.91Å; Y65-H67 AromaticContact CD1-NE2 3.76Å; Y65-H67 AromaticContact CE1-CD2 3.54Å; Y65-H67 AromaticContact CE1-CE1 3.11Å; Y65-H67 WeakPolarHBondContact CE1-CE1 3.28Å; Y65-H67 AromaticContact CE1-CG 3.74Å; Y65-H67 AromaticContact CE1-ND1 3.45Å; Y65-H67 WeakPolarHBondContact CE1-ND1 3.1Å; Y65-H67 AromaticContact CE1-NE2 3.15Å; Y65-H67 WeakPolarHBondContact CE1-NE2 3.34Å; Y65-H67 AromaticContact CZ-CE1 3.61Å; Y65-H67 AromaticContact CZ-ND1 3.57Å; Y65-H67 PolarHBondContact OH-CE1 3.03Å; Y65-H67 PolarHBondContact OH-ND1 2.81Å; Y65-T282 WeakPolarHBondContact CA-O 3.45Å; Y65-T282 VanDerWaalsContact CD2-O 3.3Å; Y65-T282 WeakPolarHBondContact CD2-O 3.5Å; Y65-N283 WeakPolarHBondContact CE2-O 3.38Å; Y65-I284 WeakPolarHBondContact CD2-O 3.5Å; Y65-N285 HydrophobicContact CE2-CB 4.18Å
66	D	92.7	Very high	92.8	Very high	31 Å²	31	61 Å²	61	17%	0.166	33%	0.325	C	S	.	.			trans	-127.4	104.4	-177.9	-176.6	-7.4	0	0	0	109.4	V64 S68 L69 R281 T282	V64-D66 PolarHBondContact O-N 2.8Å; D66-S68 VanDerWaalsContact CG-OG 3.3Å; D66-S68 PolarHBondContact O-N 2.85Å; D66-S68 WeakPolarHBondContact OD1-CB 3.47Å; D66-S68 PolarHBondContact OD1-N 2.82Å; D66-S68 PolarHBondContact OD1-OG 2.9Å; D66-S68 PolarHBondContact OD2-OG 3.18Å; D66-L69 HydrophobicContact CB-CD1 3.88Å; D66-L69 HydrophobicContact CB-CG 3.93Å; D66-L69 WeakPolarHBondContact O-CB 3.46Å; D66-L69 PolarHBondContact O-N 3.46Å; D66-R281 HydrophobicContact CB-CB 4.16Å; D66-R281 WeakPolarHBondContact OD2-CD 3.47Å; D66-R281 IonicContact OD2-CZ 3.93Å; D66-R281 IonicContact OD2-NE 3.73Å; D66-R281 IonicContact OD2-NH1 2.79Å; D66-R281 PolarHBondContact OD2-NH1 2.86Å; D66-T282 PolarHBondContact N-O 3.14Å
67	H	88	Confident	92.4	Very high	153 Å²	153	61.5 Å²	61.5	71%	0.708	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.9	179.1	-76.8	-81.6	0	0	0	114.1	Y65 L69	Y65-H67 AromaticContact CD1-CD2 3.91Å; Y65-H67 AromaticContact CD1-NE2 3.76Å; Y65-H67 AromaticContact CE1-CD2 3.54Å; Y65-H67 AromaticContact CE1-CE1 3.11Å; Y65-H67 WeakPolarHBondContact CE1-CE1 3.28Å; Y65-H67 AromaticContact CE1-CG 3.74Å; Y65-H67 AromaticContact CE1-ND1 3.45Å; Y65-H67 WeakPolarHBondContact CE1-ND1 3.1Å; Y65-H67 AromaticContact CE1-NE2 3.15Å; Y65-H67 WeakPolarHBondContact CE1-NE2 3.34Å; Y65-H67 AromaticContact CZ-CE1 3.61Å; Y65-H67 AromaticContact CZ-ND1 3.57Å; Y65-H67 PolarHBondContact OH-CE1 3.03Å; Y65-H67 PolarHBondContact OH-ND1 2.81Å; H67-L69 VanDerWaalsContact C-N 3.25Å
68	S	90.5	Very high	92.1	Very high	93 Å²	93	64.6 Å²	64.6	65%	0.65	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.7	179.6	72.3	0	0	0	0	112.8	D66 S70	D66-S68 VanDerWaalsContact CG-OG 3.3Å; D66-S68 PolarHBondContact O-N 2.85Å; D66-S68 WeakPolarHBondContact OD1-CB 3.47Å; D66-S68 PolarHBondContact OD1-N 2.82Å; D66-S68 PolarHBondContact OD1-OG 2.9Å; D66-S68 PolarHBondContact OD2-OG 3.18Å; S68-S70 PolarHBondContact O-N 2.9Å; S68-S70 VanDerWaalsContact O-N 3.16Å
69	L	92.7	Very high	91.9	Very high	11 Å²	11	68.7 Å²	68.7	6%	0.058	36%	0.358	C	S	.	.			trans	-72.9	104	176.4	-67	178.5	0	0	0	110.4	D66 H67 P107 F216 T218 R281 N283	D66-L69 HydrophobicContact CB-CD1 3.88Å; D66-L69 HydrophobicContact CB-CG 3.93Å; D66-L69 WeakPolarHBondContact O-CB 3.46Å; D66-L69 PolarHBondContact O-N 3.46Å; H67-L69 VanDerWaalsContact C-N 3.25Å; L69-P107 HydrophobicContact CD2-CB 4.02Å; L69-F216 HydrophobicContact CB-CZ 4.25Å; L69-F216 HydrophobicContact CD1-CE2 4.26Å; L69-F216 HydrophobicContact CD2-CE2 4.43Å; L69-T218 HydrophobicContact CD1-CG2 3.76Å; L69-T218 HydrophobicContact CD2-CG2 4.05Å; L69-R281 HydrophobicContact CD1-CB 4.01Å; L69-N283 HydrophobicContact CB-CB 3.8Å; L69-N283 HydrophobicContact CD1-CB 4.47Å
70	S	89	Confident	91.8	Very high	63 Å²	63	72.4 Å²	72.4	44%	0.441	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-75.1	164.2	171.9	60	0	0	0	0	111.5	S68 G106 F216	S68-S70 PolarHBondContact O-N 2.9Å; S68-S70 VanDerWaalsContact O-N 3.16Å; S70-G106 WeakPolarHBondContact O-CA 3.39Å; S70-G106 PolarHBondContact OG-N 3.4Å; S70-F216 WeakPolarHBondContact O-CE1 3.28Å; S70-F216 WeakPolarHBondContact O-CZ 3.22Å
71	A	87.7	Confident	91.9	Very high	39 Å²	39	69.8 Å²	69.8	32%	0.322	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-61.8	150.5	168.2	0	0	0	0	0	110.2
72	M	91.2	Very high	92	Very high	7 Å²	7	64.7 Å²	64.7	3%	0.034	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.4	173.1	-66.3	-175.6	-65.7	0	0	110.8	I168 T213 F216 I235 L237	M72-I168 HydrophobicContact CE-CD1 3.99Å; M72-I168 HydrophobicContact SD-CD1 4Å; M72-I168 HydrophobicContact SD-CG1 4.4Å; M72-T213 HydrophobicContact CE-CG2 4.36Å; M72-T213 PolarHBondContact N-O 3.24Å; M72-T213 PolarHBondContact O-OG1 3.22Å; M72-F216 HydrophobicContact CE-CD1 4.42Å; M72-F216 HydrophobicContact CG-CE1 4.19Å; M72-I235 HydrophobicContact CE-CG2 3.62Å; M72-I235 HydrophobicContact SD-CB 4.42Å; M72-I235 HydrophobicContact SD-CD1 3.46Å; M72-I235 WeakPolarHBondContact SD-CD1 3.23Å; M72-I235 HydrophobicContact SD-CG1 4.22Å; M72-I235 HydrophobicContact SD-CG2 3.8Å; M72-L237 HydrophobicContact CE-CD2 3.58Å
73	E	91.9	Very high	92.2	Very high	135 Å²	135	60.4 Å²	60.4	63%	0.631	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.2	172.2	-66.6	-179.2	-178.2	0	0	108.3	N104	E73-N104 HydrophobicContact CB-CB 4.26Å; E73-N104 PolarHBondContact N-O 3.35Å; E73-N104 PolarHBondContact O-N 3.26Å
74	I	93.8	Very high	92.4	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.097	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.4	-178	-51.2	175	0	0	0	108.5	L77 V101 Q102 L103 I168 L210 T213	I74-L77 HydrophobicContact CB-CD1 3.73Å; I74-L77 HydrophobicContact CB-CD2 3.99Å; I74-L77 HydrophobicContact CB-CG 3.65Å; I74-L77 HydrophobicContact CD1-CD1 4.36Å; I74-L77 HydrophobicContact CD1-CD2 4.4Å; I74-L77 HydrophobicContact CG1-CD1 4.49Å; I74-L77 HydrophobicContact CG2-CD1 4.24Å; I74-L77 HydrophobicContact CG2-CD2 3.54Å; I74-L77 HydrophobicContact CG2-CG 3.62Å; I74-V101 HydrophobicContact CG2-CG1 3.51Å; I74-Q102 CarbonylContact C-O 3.48Å; I74-Q102 VanDerWaalsContact CA-O 3.27Å; I74-Q102 WeakPolarHBondContact CA-O 3.06Å; I74-Q102 WeakPolarHBondContact CG2-O 3.35Å; I74-L103 HydrophobicContact CD1-CD2 3.79Å; I74-L103 HydrophobicContact CG1-CD2 3.91Å; I74-L103 HydrophobicContact CG1-CG 4.25Å; I74-L103 HydrophobicContact CG2-CD2 4.44Å; I74-L103 HydrophobicContact CG2-CG 4.24Å; I74-I168 HydrophobicContact CD1-CD1 3.97Å; I74-L210 HydrophobicContact CD1-CD1 3.4Å; I74-L210 VanDerWaalsContact CD1-CD1 3.4Å; I74-T213 HydrophobicContact CD1-CG2 4Å
75	E	93.5	Very high	92.5	Very high	108 Å²	108	58.7 Å²	58.7	51%	0.505	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.2	-179.5	-67.7	-179.6	-159.7	0	0	110.5	V101 Q102 N104	E75-V101 WeakPolarHBondContact O-CA 3.47Å; E75-V101 WeakPolarHBondContact O-CG1 3.48Å; E75-Q102 HydrophobicContact CB-CB 4.4Å; E75-Q102 PolarHBondContact N-O 2.76Å; E75-Q102 PolarHBondContact O-N 3.33Å; E75-Q102 VanDerWaalsContact O-N 3.09Å; E75-N104 PolarHBondContact OE1-ND2 2.86Å
76	G	92.7	Very high	92.8	Very high	20 Å²	20	56 Å²	56	21%	0.206	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	10.8	178.5	0	0	0	0	0	115.3	E78 K79	G76-E78 VanDerWaalsContact C-N 3.27Å; G76-E78 PolarHBondContact O-N 3.38Å; G76-K79 WeakPolarHBondContact O-CB 3.47Å; G76-K79 PolarHBondContact O-N 2.98Å
77	L	90.5	Very high	93.1	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-34	177	-75.6	-177.9	0	0	0	114.8	I74 K79 L206 R207 L210	I74-L77 HydrophobicContact CB-CD1 3.73Å; I74-L77 HydrophobicContact CB-CD2 3.99Å; I74-L77 HydrophobicContact CB-CG 3.65Å; I74-L77 HydrophobicContact CD1-CD1 4.36Å; I74-L77 HydrophobicContact CD1-CD2 4.4Å; I74-L77 HydrophobicContact CG1-CD1 4.49Å; I74-L77 HydrophobicContact CG2-CD1 4.24Å; I74-L77 HydrophobicContact CG2-CD2 3.54Å; I74-L77 HydrophobicContact CG2-CG 3.62Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-L206 HydrophobicContact CD2-CB 3.66Å; L77-L206 PolarHBondContact O-N 2.88Å; L77-L206 VanDerWaalsContact O-N 3.17Å; L77-R207 HydrophobicContact CB-CB 4.08Å; L77-R207 PolarHBondContact O-N 3.25Å; L77-L210 HydrophobicContact CD1-CD1 4.25Å; L77-L210 HydrophobicContact CD2-CD1 3.49Å; L77-L210 VanDerWaalsContact CD2-CD1 3.49Å; L77-L210 HydrophobicContact CD2-CG 4.43Å
78	E	91	Very high	93.5	Very high	113 Å²	113	47.6 Å²	47.6	53%	0.528	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2	-178.2	-48.6	-59.2	152.8	0	0	112.4	G76 R207	G76-E78 VanDerWaalsContact C-N 3.27Å; G76-E78 PolarHBondContact O-N 3.38Å; E78-R207 WeakPolarHBondContact OE1-CB 3.45Å; E78-R207 VanDerWaalsContact OE1-CD 3.28Å; E78-R207 WeakPolarHBondContact OE1-CD 3.41Å; E78-R207 WeakPolarHBondContact OE1-CG 3.3Å; E78-R207 IonicContact OE1-NE 3.8Å; E78-R207 IonicContact OE1-NH1 3.98Å
79	K	92.8	Very high	93.8	Very high	85 Å²	85	43.4 Å²	43.4	37%	0.37	23%	0.225	S	C	.	.	S	Bend	trans	-71.6	142.6	175.4	-69.1	178.6	173.9	-172	0	109.5	G76 L77 L81 E99 F100	G76-K79 WeakPolarHBondContact O-CB 3.47Å; G76-K79 PolarHBondContact O-N 2.98Å; L77-K79 VanDerWaalsContact C-N 3.3Å; K79-L81 HydrophobicContact CB-CD2 3.83Å; K79-L81 PolarHBondContact O-N 3.33Å; K79-E99 IonicContact NZ-OE2 3.86Å; K79-E99 PolarHBondContact NZ-OE2 2.97Å; K79-F100 PolarHBondContact NZ-O 2.82Å
80	Q	92.4	Very high	93.8	Very high	140 Å²	140	46.9 Å²	46.9	65%	0.654	24%	0.238	S	C	*	.			trans	-77.8	102.5	167.7	-73.9	-173.5	2	0	0	109.4
81	L	93.9	Very high	94.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	149.7	-174.5	-57	-176.1	0	0	0	112.5	K79 L83 L96 E99 V101 K202 G203 L204 L206	K79-L81 HydrophobicContact CB-CD2 3.83Å; K79-L81 PolarHBondContact O-N 3.33Å; L81-L83 HydrophobicContact CB-CD2 3.88Å; L81-L83 HydrophobicContact CB-CG 4.09Å; L81-L83 HydrophobicContact CD1-CD2 4.17Å; L81-L96 HydrophobicContact CD1-CD2 4.02Å; L81-L96 HydrophobicContact CD1-CG 4.36Å; L81-E99 HydrophobicContact CD2-CB 3.66Å; L81-E99 HydrophobicContact CD2-CG 4.07Å; L81-V101 HydrophobicContact CD1-CG2 4.16Å; L81-V101 HydrophobicContact CD2-CG2 4.24Å; L81-K202 CarbonylContact O-C 3.57Å; L81-G203 PolarHBondContact O-N 2.86Å; L81-L204 PolarHBondContact N-O 2.92Å; L81-L204 PolarHBondContact O-N 3.41Å; L81-L206 HydrophobicContact CD1-CD1 3.67Å; L81-L206 HydrophobicContact CD1-CD2 4.19Å; L81-L206 HydrophobicContact CD1-CG 3.51Å
82	E	94.4	Very high	94.7	Very high	58 Å²	58	42 Å²	42	27%	0.271	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.8	163.1	-62.8	-163.1	158.2	0	0	109.5	T97 N98 K202	E82-T97 WeakPolarHBondContact CB-OG1 3.3Å; E82-T97 PolarHBondContact O-N 2.84Å; E82-T97 PolarHBondContact O-OG1 3.01Å; E82-N98 PolarHBondContact OE2-ND2 2.67Å; E82-K202 HydrophobicContact CG-CB 4.5Å; E82-K202 HydrophobicContact CG-CD 4.3Å; E82-K202 HydrophobicContact CG-CG 4.06Å; E82-K202 WeakPolarHBondContact OE1-CD 3.45Å; E82-K202 VanDerWaalsContact OE1-CE 3.3Å; E82-K202 WeakPolarHBondContact OE1-CE 3.15Å; E82-K202 IonicContact OE1-NZ 2.8Å; E82-K202 PolarHBondContact OE1-NZ 3.18Å; E82-K202 IonicContact OE2-NZ 3.91Å
83	L	95.5	Very high	95	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.2	-171.6	-54.7	175.7	0	0	0	110.6	L81 I94 S95 L96 M117 Q200 L201 L204	L81-L83 HydrophobicContact CB-CD2 3.88Å; L81-L83 HydrophobicContact CB-CG 4.09Å; L81-L83 HydrophobicContact CD1-CD2 4.17Å; L83-I94 HydrophobicContact CB-CG2 3.88Å; L83-I94 HydrophobicContact CD1-CG2 3.86Å; L83-I94 HydrophobicContact CD2-CG2 4.38Å; L83-I94 HydrophobicContact CG-CG2 4.26Å; L83-S95 CarbonylContact C-O 3.6Å; L83-S95 VanDerWaalsContact CA-O 3.29Å; L83-S95 WeakPolarHBondContact CA-O 3.47Å; L83-L96 HydrophobicContact CD2-CB 4.36Å; L83-L96 HydrophobicContact CD2-CD1 4.01Å; L83-L96 HydrophobicContact CD2-CG 3.7Å; L83-M117 HydrophobicContact CD1-CE 4.35Å; L83-Q200 CarbonylContact O-C 3.57Å; L83-Q200 WeakPolarHBondContact O-CA 3.11Å; L83-L201 HydrophobicContact CB-CB 4.46Å; L83-L201 PolarHBondContact N-O 3.13Å; L83-L201 PolarHBondContact O-N 2.8Å; L83-L204 HydrophobicContact CD1-CB 3.87Å; L83-L204 HydrophobicContact CD1-CD1 4.07Å; L83-L204 HydrophobicContact CD1-CD2 3.83Å; L83-L204 HydrophobicContact CD1-CG 4.12Å
84	I	97.6	Very high	95.3	Very high	59 Å²	59	36.7 Å²	36.7	30%	0.303	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.7	166.6	-63.9	170.1	0	0	0	107.2	I94 S95 T97 T198	I84-I94 CarbonylContact O-C 3.57Å; I84-I94 VanDerWaalsContact O-CA 3.32Å; I84-I94 WeakPolarHBondContact O-CA 3.38Å; I84-S95 PolarHBondContact N-O 3.2Å; I84-S95 PolarHBondContact O-N 2.88Å; I84-T97 HydrophobicContact CD1-CG2 3.5Å; I84-T97 HydrophobicContact CG1-CG2 3.62Å; I84-T198 HydrophobicContact CG2-CG2 4.13Å
85	V	98.2	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.4	172	-178	0	0	0	0	107.5	I92 R93 I94 A188 A189 T198 F199 L201	V85-I92 HydrophobicContact CG1-CG2 3.57Å; V85-R93 CarbonylContact C-O 3.49Å; V85-R93 WeakPolarHBondContact CA-O 3.39Å; V85-I94 HydrophobicContact CG2-CG1 4.33Å; V85-I94 HydrophobicContact CG2-CG2 4.31Å; V85-A188 HydrophobicContact CB-CB 4.08Å; V85-A188 HydrophobicContact CG1-CB 4.3Å; V85-A188 HydrophobicContact CG2-CB 3.75Å; V85-A189 HydrophobicContact CG1-CB 4.48Å; V85-T198 CarbonylContact O-C 3.46Å; V85-T198 VanDerWaalsContact O-CA 3.27Å; V85-T198 WeakPolarHBondContact O-CA 3.32Å; V85-F199 PolarHBondContact N-O 2.91Å; V85-F199 PolarHBondContact O-N 2.73Å; V85-L201 HydrophobicContact CG2-CB 4.19Å; V85-L201 HydrophobicContact CG2-CD2 4.33Å
86	E	98.3	Very high	95.4	Very high	32 Å²	32	33.1 Å²	33.1	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.2	-177.2	-176.7	-171.1	160.9	0	0	110.4	C88 I92 R93 E197 T198	E86-C88 VanDerWaalsContact CD-SG 3.57Å; E86-I92 CarbonylContact O-C 3.57Å; E86-I92 WeakPolarHBondContact O-CA 3.45Å; E86-R93 PolarHBondContact N-O 3.47Å; E86-R93 PolarHBondContact O-N 3.33Å; E86-E197 WeakPolarHBondContact CA-O 3.43Å; E86-T198 HydrophobicContact CB-CG2 3.95Å; E86-T198 HydrophobicContact CG-CG2 3.77Å
87	N	98.5	Very high	95.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	103	164.4	177.2	-28.6	0	0	0	110	G89 T192 I193 F194 K195 G196 E197 R255 M265	N87-G89 PolarHBondContact O-N 3.17Å; N87-G89 WeakPolarHBondContact OD1-CA 3.32Å; N87-G89 PolarHBondContact OD1-N 3.06Å; N87-T192 WeakPolarHBondContact CB-O 3.42Å; N87-T192 PolarHBondContact ND2-O 2.94Å; N87-I193 VanDerWaalsContact ND2-C 3.35Å; N87-I193 PolarHBondContact ND2-O 2.79Å; N87-F194 WeakPolarHBondContact CB-O 3.45Å; N87-K195 CarbonylContact O-C 3.59Å; N87-K195 WeakPolarHBondContact O-CA 3.27Å; N87-K195 WeakPolarHBondContact OD1-CA 3.36Å; N87-G196 PolarHBondContact O-N 3.25Å; N87-E197 PolarHBondContact N-O 3.32Å; N87-R255 PolarHBondContact ND2-O 3.29Å; N87-R255 PolarHBondContact OD1-O 2.9Å; N87-M265 HydrophobicContact CB-CE 4.17Å; N87-M265 WeakPolarHBondContact ND2-CE 3.48Å; N87-M265 WeakPolarHBondContact OD1-CE 3.44Å
88	C	97.3	Very high	94.7	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.041	19%	0.194	C	C	.	.			trans	-80.5	-2.7	178.8	-63.3	0	0	0	0	113.1	E86 Y90 D91 R93 K195	E86-C88 VanDerWaalsContact CD-SG 3.57Å; C88-Y90 VanDerWaalsContact C-N 3.25Å; C88-Y90 HydrophobicContact CB-CD1 4.17Å; C88-Y90 HydrophobicContact CB-CE1 3.68Å; C88-Y90 HydrophobicContact CB-CE2 4.05Å; C88-Y90 WeakPolarHBondContact O-CD1 3.37Å; C88-Y90 WeakPolarHBondContact O-CE1 3.37Å; C88-Y90 PolarHBondContact O-N 3.06Å; C88-D91 PolarHBondContact N-O 3.05Å; C88-R93 VanDerWaalsContact SG-CB 3.52Å; C88-K195 WeakPolarHBondContact O-CE 3.46Å
89	G	96.2	Very high	94.2	Very high	6 Å²	6	38 Å²	38	6%	0.062	19%	0.186	C	C	.	.	S	Bend	trans	82.6	-8.5	-174.7	0	0	0	0	0	114.6	N87 V256	N87-G89 PolarHBondContact O-N 3.17Å; N87-G89 WeakPolarHBondContact OD1-CA 3.32Å; N87-G89 PolarHBondContact OD1-N 3.06Å; G89-V256 WeakPolarHBondContact O-CA 3.35Å; G89-V256 WeakPolarHBondContact O-CB 3.48Å; G89-V256 WeakPolarHBondContact O-CG1 3.18Å
90	Y	94.4	Very high	93.9	Very high	83 Å²	83	39.6 Å²	39.6	33%	0.325	19%	0.193	S	C	.	.	S	Bend	trans	-133.3	-17.6	178.7	54.7	-97.1	0	0	0	114.1	C88 R93 K120 N268	C88-Y90 VanDerWaalsContact C-N 3.25Å; C88-Y90 HydrophobicContact CB-CD1 4.17Å; C88-Y90 HydrophobicContact CB-CE1 3.68Å; C88-Y90 HydrophobicContact CB-CE2 4.05Å; C88-Y90 WeakPolarHBondContact O-CD1 3.37Å; C88-Y90 WeakPolarHBondContact O-CE1 3.37Å; C88-Y90 PolarHBondContact O-N 3.06Å; Y90-R93 PolarHBondContact OH-NH2 2.61Å; Y90-K120 PolarHBondContact O-NZ 2.99Å; Y90-N268 WeakPolarHBondContact CA-ND2 3.42Å; Y90-N268 WeakPolarHBondContact CB-ND2 3.43Å; Y90-N268 PolarHBondContact O-ND2 3.39Å
91	D	96.1	Very high	94	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.162	C	C	.	.	S	Bend	trans	-155.6	171.1	164	43.1	67.5	0	0	0	109	C88 Q118 K120 M265	C88-D91 PolarHBondContact N-O 3.05Å; D91-Q118 PolarHBondContact OD1-NE2 3.01Å; D91-Q118 PolarHBondContact OD2-NE2 3.24Å; D91-K120 HydrophobicContact CB-CD 4.06Å; D91-K120 WeakPolarHBondContact OD2-CE 3.28Å; D91-K120 IonicContact OD2-NZ 3.89Å; D91-K120 PolarHBondContact OD2-NZ 2.93Å; D91-M265 VanDerWaalsContact C-SD 3.51Å
92	I	98	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.2	162.5	-59.3	161.4	0	0	0	106.6	V85 E86 I94 Q118 I119 F121 A189 L251 L254 M265	V85-I92 HydrophobicContact CG1-CG2 3.57Å; E86-I92 CarbonylContact O-C 3.57Å; E86-I92 WeakPolarHBondContact O-CA 3.45Å; I92-I94 HydrophobicContact CG2-CG1 4.19Å; I92-Q118 CarbonylContact O-C 3.49Å; I92-Q118 VanDerWaalsContact O-CA 3.28Å; I92-Q118 WeakPolarHBondContact O-CA 3.4Å; I92-I119 HydrophobicContact CB-CB 4.31Å; I92-I119 HydrophobicContact CD1-CB 4.43Å; I92-I119 PolarHBondContact N-O 3.22Å; I92-I119 PolarHBondContact O-N 3.42Å; I92-F121 HydrophobicContact CD1-CE1 4Å; I92-F121 HydrophobicContact CG1-CE1 4.39Å; I92-A189 HydrophobicContact CD1-CB 3.75Å; I92-A189 HydrophobicContact CG1-CB 4.49Å; I92-L251 HydrophobicContact CD1-CD2 3.59Å; I92-L254 HydrophobicContact CD1-CD1 3.48Å; I92-L254 VanDerWaalsContact CD1-CD1 3.48Å; I92-L254 HydrophobicContact CG1-CD1 3.62Å; I92-M265 HydrophobicContact CG1-SD 4.19Å
93	R	98.2	Very high	94	Very high	30 Å²	30	32.9 Å²	32.9	11%	0.113	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.6	171.7	-179.4	170.7	-69.2	159.7	3.7	109.7	V85 E86 C88 Y90 F116 M117	V85-R93 CarbonylContact C-O 3.49Å; V85-R93 WeakPolarHBondContact CA-O 3.39Å; E86-R93 PolarHBondContact N-O 3.47Å; E86-R93 PolarHBondContact O-N 3.33Å; C88-R93 VanDerWaalsContact SG-CB 3.52Å; Y90-R93 PolarHBondContact OH-NH2 2.61Å; R93-F116 HydrophobicContact CG-CB 4.38Å; R93-F116 HydrophobicContact CG-CD2 4.26Å; R93-M117 CarbonylContact C-O 3.59Å; R93-M117 WeakPolarHBondContact CA-O 3.16Å
94	I	97.5	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	111.4	177.1	-49.4	172.2	0	0	0	107.9	L83 I84 V85 I92 F116 M117 I119 V185	L83-I94 HydrophobicContact CB-CG2 3.88Å; L83-I94 HydrophobicContact CD1-CG2 3.86Å; L83-I94 HydrophobicContact CD2-CG2 4.38Å; L83-I94 HydrophobicContact CG-CG2 4.26Å; I84-I94 CarbonylContact O-C 3.57Å; I84-I94 VanDerWaalsContact O-CA 3.32Å; I84-I94 WeakPolarHBondContact O-CA 3.38Å; V85-I94 HydrophobicContact CG2-CG1 4.33Å; V85-I94 HydrophobicContact CG2-CG2 4.31Å; I92-I94 HydrophobicContact CG2-CG1 4.19Å; I94-F116 CarbonylContact O-C 3.49Å; I94-F116 WeakPolarHBondContact O-CA 3.44Å; I94-M117 HydrophobicContact CB-CB 4.22Å; I94-M117 HydrophobicContact CB-CE 3.87Å; I94-M117 HydrophobicContact CD1-CE 4.41Å; I94-M117 HydrophobicContact CG2-CE 3.53Å; I94-M117 PolarHBondContact N-O 2.79Å; I94-M117 PolarHBondContact O-N 2.91Å; I94-I119 HydrophobicContact CD1-CD1 3.91Å; I94-I119 HydrophobicContact CD1-CG1 4.39Å; I94-V185 HydrophobicContact CD1-CG1 3.55Å; I94-V185 HydrophobicContact CD1-CG2 4.26Å
95	S	96.1	Very high	93.6	Very high	24 Å²	24	32.6 Å²	32.6	17%	0.168	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.3	-176.7	-58.6	0	0	0	0	110.7	L83 I84	L83-S95 CarbonylContact C-O 3.6Å; L83-S95 VanDerWaalsContact CA-O 3.29Å; L83-S95 WeakPolarHBondContact CA-O 3.47Å; I84-S95 PolarHBondContact N-O 3.2Å; I84-S95 PolarHBondContact O-N 2.88Å
96	L	93.6	Very high	93.3	Very high	27 Å²	27	33 Å²	33	14%	0.141	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139	173.3	-70.9	70.2	0	0	0	108.8	L81 L83 V101 I114 M117	L81-L96 HydrophobicContact CD1-CD2 4.02Å; L81-L96 HydrophobicContact CD1-CG 4.36Å; L83-L96 HydrophobicContact CD2-CB 4.36Å; L83-L96 HydrophobicContact CD2-CD1 4.01Å; L83-L96 HydrophobicContact CD2-CG 3.7Å; L96-V101 HydrophobicContact CD2-CB 4.45Å; L96-V101 HydrophobicContact CD2-CG2 3.99Å; L96-I114 HydrophobicContact CD1-CG2 3.88Å; L96-I114 HydrophobicContact CD2-CG2 4.32Å; L96-M117 HydrophobicContact CD1-CE 4.44Å
97	T	88.4	Confident	93	Very high	54 Å²	54	32.7 Å²	32.7	33%	0.331	17%	0.172	S	C	.	.	S	Bend	trans	-101.3	-53.9	-174.3	52	0	0	0	0	113.9	E82 I84	E82-T97 WeakPolarHBondContact CB-OG1 3.3Å; E82-T97 PolarHBondContact O-N 2.84Å; E82-T97 PolarHBondContact O-OG1 3.01Å; I84-T97 HydrophobicContact CD1-CG2 3.5Å; I84-T97 HydrophobicContact CG1-CG2 3.62Å
98	N	79.5	Confident	92.7	Very high	115 Å²	115	33.6 Å²	33.6	62%	0.615	18%	0.179	S	C	*	.	S	Bend	trans	-121	-2.2	-167.9	-63.8	-36.7	0	0	0	113.9	E82	E82-N98 PolarHBondContact OE2-ND2 2.67Å
99	E	80.6	Confident	92.4	Very high	77 Å²	77	38.7 Å²	38.7	36%	0.36	21%	0.214	S	C	.	.			trans	-127.9	142.1	-170.9	-71.7	-64.4	154.4	0	0	110.9	K79 L81	K79-E99 IonicContact NZ-OE2 3.86Å; K79-E99 PolarHBondContact NZ-OE2 2.97Å; L81-E99 HydrophobicContact CD2-CB 3.66Å; L81-E99 HydrophobicContact CD2-CG 4.07Å
100	F	87.1	Confident	92.3	Very high	118 Å²	118	41.9 Å²	41.9	52%	0.518	23%	0.225	S	C	.	.			trans	-104.3	135.4	171.4	-55.9	-55.5	0	0	0	110.1	K79 R113	K79-F100 PolarHBondContact NZ-O 2.82Å; F100-R113 HydrophobicContact CB-CG 4.41Å; F100-R113 HydrophobicContact CD1-CG 4.19Å
101	V	94	Very high	92.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.			trans	-117.5	127.7	170.4	178.5	0	0	0	0	106.6	I74 E75 L81 L96 I114 L206	I74-V101 HydrophobicContact CG2-CG1 3.51Å; E75-V101 WeakPolarHBondContact O-CA 3.47Å; E75-V101 WeakPolarHBondContact O-CG1 3.48Å; L81-V101 HydrophobicContact CD1-CG2 4.16Å; L81-V101 HydrophobicContact CD2-CG2 4.24Å; L96-V101 HydrophobicContact CD2-CB 4.45Å; L96-V101 HydrophobicContact CD2-CG2 3.99Å; V101-I114 HydrophobicContact CB-CB 4.37Å; V101-I114 HydrophobicContact CB-CD1 3.82Å; V101-I114 HydrophobicContact CB-CG1 4.2Å; V101-I114 HydrophobicContact CG1-CD1 3.5Å; V101-I114 VanDerWaalsContact CG1-CD1 3.5Å; V101-I114 HydrophobicContact CG1-CG1 4.21Å; V101-I114 PolarHBondContact O-N 3Å; V101-L206 HydrophobicContact CB-CD1 4.32Å; V101-L206 HydrophobicContact CG1-CD1 4.1Å; V101-L206 HydrophobicContact CG2-CD1 3.95Å
102	Q	94.9	Very high	92.5	Very high	55 Å²	55	39.1 Å²	39.1	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.2	-174.7	-62.5	-176.2	21.9	0	0	110.3	I74 E75 V111 Y112	I74-Q102 CarbonylContact C-O 3.48Å; I74-Q102 VanDerWaalsContact CA-O 3.27Å; I74-Q102 WeakPolarHBondContact CA-O 3.06Å; I74-Q102 WeakPolarHBondContact CG2-O 3.35Å; E75-Q102 HydrophobicContact CB-CB 4.4Å; E75-Q102 PolarHBondContact N-O 2.76Å; E75-Q102 PolarHBondContact O-N 3.33Å; E75-Q102 VanDerWaalsContact O-N 3.09Å; Q102-V111 HydrophobicContact CB-CG1 4.22Å; Q102-Y112 CarbonylContact C-O 3.48Å; Q102-Y112 VanDerWaalsContact CA-O 3.24Å; Q102-Y112 WeakPolarHBondContact CA-O 3.28Å
103	L	94.6	Very high	92.4	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	174.7	-49.2	104.4	0	0	0	109.1	I74 Y112 I114 S146 L166 I168	I74-L103 HydrophobicContact CD1-CD2 3.79Å; I74-L103 HydrophobicContact CG1-CD2 3.91Å; I74-L103 HydrophobicContact CG1-CG 4.25Å; I74-L103 HydrophobicContact CG2-CD2 4.44Å; I74-L103 HydrophobicContact CG2-CG 4.24Å; L103-Y112 PolarHBondContact N-O 2.69Å; L103-Y112 PolarHBondContact O-N 3.34Å; L103-I114 HydrophobicContact CD1-CD1 4.43Å; L103-I114 HydrophobicContact CD1-CG1 3.62Å; L103-I114 HydrophobicContact CG-CG1 4.41Å; L103-S146 VanDerWaalsContact CD1-CB 3.42Å; L103-S146 WeakPolarHBondContact CD1-OG 3.1Å; L103-L166 HydrophobicContact CB-CD2 4.48Å; L103-I168 HydrophobicContact CD2-CD1 3.26Å; L103-I168 HydrophobicContact CD2-CG1 4.18Å
104	N	93.8	Very high	92.3	Very high	28 Å²	28	41.1 Å²	41.1	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.2	178.9	-58.1	-55.6	0	0	0	109.3	E73 E75 V111	E73-N104 HydrophobicContact CB-CB 4.26Å; E73-N104 PolarHBondContact N-O 3.35Å; E73-N104 PolarHBondContact O-N 3.26Å; E75-N104 PolarHBondContact OE1-ND2 2.86Å; N104-V111 WeakPolarHBondContact OD1-CG1 3.39Å; N104-V111 VanDerWaalsContact OD1-CG2 3.3Å; N104-V111 WeakPolarHBondContact OD1-CG2 3.18Å
105	G	90.8	Very high	92.1	Very high	26 Å²	26	42.2 Å²	42.2	27%	0.268	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.6	-147.2	175.5	0	0	0	0	0	114.3	S108	G105-S108 CarbonylContact C-O 3.59Å; G105-S108 WeakPolarHBondContact CA-O 3.4Å
106	G	90.7	Very high	92.1	Very high	7 Å²	7	41.8 Å²	41.8	7%	0.072	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-127.2	-170.1	0	0	0	0	0	111.6	S70 S108	S70-G106 WeakPolarHBondContact O-CA 3.39Å; S70-G106 PolarHBondContact OG-N 3.4Å; G106-S108 VanDerWaalsContact C-N 3.32Å
107	P	93.4	Very high	92.3	Very high	26 Å²	26	40.5 Å²	40.5	17%	0.169	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.4	-179.9	34.7	-36.4	0	0	0	114.3	L69 L166 T218 T233 I235	L69-P107 HydrophobicContact CD2-CB 4.02Å; P107-L166 HydrophobicContact CG-CD1 3.93Å; P107-T218 HydrophobicContact CB-CG2 4.07Å; P107-T233 HydrophobicContact CB-CG2 4.14Å; P107-T233 HydrophobicContact CG-CG2 3.83Å; P107-I235 HydrophobicContact CG-CD1 3.87Å; P107-I235 HydrophobicContact CG-CG1 3.73Å
108	S	91	Very high	92.8	Very high	20 Å²	20	37.9 Å²	37.9	14%	0.14	21%	0.205	C	C	.	.			trans	-126.3	149.1	-173.5	-168.6	0	0	0	0	111.4	G105 G106 Y110 Y112	G105-S108 CarbonylContact C-O 3.59Å; G105-S108 WeakPolarHBondContact CA-O 3.4Å; G106-S108 VanDerWaalsContact C-N 3.32Å; S108-Y110 WeakPolarHBondContact OG-CD2 3.41Å; S108-Y110 PolarHBondContact OG-N 2.86Å; S108-Y112 WeakPolarHBondContact OG-CE2 3.5Å; S108-Y112 PolarHBondContact OG-OH 2.85Å
109	S	90.9	Very high	93.6	Very high	113 Å²	113	32.6 Å²	32.6	79%	0.79	18%	0.176	S	C	*	.	S	Bend	trans	-90.6	-9.1	173	60.2	0	0	0	0	113.4
110	Y	95.5	Very high	94.4	Very high	73 Å²	73	29.7 Å²	29.7	29%	0.286	16%	0.162	S	C	.	.	S	Bend	trans	-84	158.7	179	-59.9	-76.6	0	0	0	111.6	S108 Y112 N148 E150 L151 N163	S108-Y110 WeakPolarHBondContact OG-CD2 3.41Å; S108-Y110 PolarHBondContact OG-N 2.86Å; Y110-Y112 WeakPolarHBondContact O-CD2 3.49Å; Y110-N148 VanDerWaalsContact CB-ND2 3.29Å; Y110-N148 WeakPolarHBondContact CB-ND2 3.46Å; Y110-N148 WeakPolarHBondContact CD2-ND2 3.34Å; Y110-E150 WeakPolarHBondContact CA-OE2 3.45Å; Y110-E150 WeakPolarHBondContact CD1-OE2 3.38Å; Y110-L151 HydrophobicContact CD1-CD1 4.36Å; Y110-L151 HydrophobicContact CD1-CG 4.21Å; Y110-L151 HydrophobicContact CE1-CD1 3.93Å; Y110-L151 HydrophobicContact CE1-CD2 3.95Å; Y110-L151 HydrophobicContact CE1-CG 3.98Å; Y110-L151 HydrophobicContact CE2-CD1 4.33Å; Y110-N163 HydrophobicContact CE2-CB 4.29Å
111	V	96.1	Very high	95	Very high	24 Å²	24	24.3 Å²	24.3	15%	0.145	14%	0.139	C	C	.	.			trans	-87.1	130.6	169.6	-175.2	0	0	0	0	110.3	Q102 N104 N149 E150	Q102-V111 HydrophobicContact CB-CG1 4.22Å; N104-V111 WeakPolarHBondContact OD1-CG1 3.39Å; N104-V111 VanDerWaalsContact OD1-CG2 3.3Å; N104-V111 WeakPolarHBondContact OD1-CG2 3.18Å; V111-N149 PolarHBondContact O-N 2.99Å; V111-N149 PolarHBondContact O-OD1 3.5Å; V111-N149 VanDerWaalsContact O-OD1 3.09Å; V111-E150 HydrophobicContact CB-CG 3.93Å; V111-E150 HydrophobicContact CG2-CG 4.32Å; V111-E150 WeakPolarHBondContact CG2-OE1 3.2Å; V111-E150 PolarHBondContact N-OE2 3.01Å
112	Y	97.1	Very high	95.2	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.4	176.1	-68.9	-102.6	0	0	0	111	Q102 L103 S108 Y110 F147 N148 N149 N163 L166	Q102-Y112 CarbonylContact C-O 3.48Å; Q102-Y112 VanDerWaalsContact CA-O 3.24Å; Q102-Y112 WeakPolarHBondContact CA-O 3.28Å; L103-Y112 PolarHBondContact N-O 2.69Å; L103-Y112 PolarHBondContact O-N 3.34Å; S108-Y112 WeakPolarHBondContact OG-CE2 3.5Å; S108-Y112 PolarHBondContact OG-OH 2.85Å; Y110-Y112 WeakPolarHBondContact O-CD2 3.49Å; Y112-F147 CarbonylContact C-O 3.4Å; Y112-F147 VanDerWaalsContact CA-O 3.24Å; Y112-F147 WeakPolarHBondContact CA-O 3.41Å; Y112-N148 HydrophobicContact CD1-CB 3.99Å; Y112-N148 VanDerWaalsContact CD1-N 3.29Å; Y112-N148 HydrophobicContact CE1-CB 3.53Å; Y112-N149 WeakPolarHBondContact CA-OD1 3.36Å; Y112-N163 WeakPolarHBondContact CE1-O 3.31Å; Y112-N163 PolarHBondContact OH-O 3.42Å; Y112-L166 HydrophobicContact CD1-CB 3.31Å; Y112-L166 HydrophobicContact CD1-CD2 4.47Å; Y112-L166 HydrophobicContact CD2-CB 4.02Å; Y112-L166 HydrophobicContact CD2-CD2 3.7Å; Y112-L166 HydrophobicContact CD2-CG 4.46Å; Y112-L166 HydrophobicContact CE1-CB 3.53Å; Y112-L166 HydrophobicContact CE2-CB 4.19Å; Y112-L166 HydrophobicContact CE2-CD2 4.14Å; Y112-L166 HydrophobicContact CG-CB 3.61Å; Y112-L166 HydrophobicContact CG-CD2 3.9Å; Y112-L166 HydrophobicContact CG-CG 4.41Å
113	R	96.2	Very high	95.3	Very high	65 Å²	65	24.1 Å²	24.1	25%	0.245	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.6	175.1	-178.8	-178.9	-66.4	-172.4	6.9	109.9	F100 S115 S146 F147 N149	F100-R113 HydrophobicContact CB-CG 4.41Å; F100-R113 HydrophobicContact CD1-CG 4.19Å; R113-S115 PolarHBondContact O-N 2.83Å; R113-S146 CarbonylContact O-C 3.6Å; R113-S146 WeakPolarHBondContact O-CA 3.04Å; R113-S146 WeakPolarHBondContact O-CB 3.43Å; R113-F147 HydrophobicContact CB-CD1 4.25Å; R113-F147 HydrophobicContact CB-CE1 3.81Å; R113-F147 HydrophobicContact CB-CZ 4.28Å; R113-F147 HydrophobicContact CG-CE1 4.11Å; R113-F147 PolarHBondContact N-O 2.98Å; R113-F147 WeakPolarHBondContact O-CD1 3.32Å; R113-F147 PolarHBondContact O-N 3.45Å; R113-N149 HydrophobicContact CB-CB 4.05Å; R113-N149 PolarHBondContact N-OD1 3.41Å; R113-N149 VanDerWaalsContact N-OD1 3.13Å
114	I	96	Very high	95.4	Very high	7 Å²	7	27 Å²	27	4%	0.036	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	129.5	174	-62.5	-176.4	0	0	0	109.1	L96 V101 L103 I144 L206	L96-I114 HydrophobicContact CD1-CG2 3.88Å; L96-I114 HydrophobicContact CD2-CG2 4.32Å; V101-I114 HydrophobicContact CB-CB 4.37Å; V101-I114 HydrophobicContact CB-CD1 3.82Å; V101-I114 HydrophobicContact CB-CG1 4.2Å; V101-I114 HydrophobicContact CG1-CD1 3.5Å; V101-I114 VanDerWaalsContact CG1-CD1 3.5Å; V101-I114 HydrophobicContact CG1-CG1 4.21Å; V101-I114 PolarHBondContact O-N 3Å; L103-I114 HydrophobicContact CD1-CD1 4.43Å; L103-I114 HydrophobicContact CD1-CG1 3.62Å; L103-I114 HydrophobicContact CG-CG1 4.41Å; I114-I144 HydrophobicContact CD1-CG2 3.8Å; I114-I144 HydrophobicContact CG1-CG2 4.01Å; I114-I144 HydrophobicContact CG2-CG2 3.89Å; I114-L206 HydrophobicContact CD1-CD1 3.84Å
115	S	94.6	Very high	95.6	Very high	24 Å²	24	27.2 Å²	27.2	17%	0.168	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-57.1	173.5	-64.5	0	0	0	0	111.5	R113 Y145 F147	R113-S115 PolarHBondContact O-N 2.83Å; S115-Y145 PolarHBondContact N-O 2.83Å; S115-F147 WeakPolarHBondContact OG-CD1 3.44Å
116	F	96.1	Very high	95.8	Very high	14 Å²	14	31.5 Å²	31.5	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	164.4	-177	68.4	-83.7	0	0	0	110.8	R93 I94 Q118 Y145 L155 F159 F225	R93-F116 HydrophobicContact CG-CB 4.38Å; R93-F116 HydrophobicContact CG-CD2 4.26Å; I94-F116 CarbonylContact O-C 3.49Å; I94-F116 WeakPolarHBondContact O-CA 3.44Å; F116-Q118 HydrophobicContact CD2-CG 3.87Å; F116-Q118 HydrophobicContact CE2-CG 3.7Å; F116-Y145 AromaticContact CD2-CD2 3.96Å; F116-Y145 HydrophobicContact CD2-CD2 3.96Å; F116-Y145 HydrophobicContact CE1-CD2 4.32Å; F116-Y145 HydrophobicContact CE1-CG 4.08Å; F116-Y145 AromaticContact CE2-CD2 3.26Å; F116-Y145 HydrophobicContact CE2-CD2 3.26Å; F116-Y145 AromaticContact CE2-CE2 3.87Å; F116-Y145 HydrophobicContact CE2-CE2 3.87Å; F116-Y145 AromaticContact CE2-CG 3.86Å; F116-Y145 HydrophobicContact CE2-CG 3.86Å; F116-Y145 HydrophobicContact CZ-CD1 4.36Å; F116-Y145 AromaticContact CZ-CD2 3.48Å; F116-Y145 HydrophobicContact CZ-CD2 3.48Å; F116-Y145 VanDerWaalsContact CZ-CD2 3.48Å; F116-Y145 HydrophobicContact CZ-CE2 4.2Å; F116-Y145 AromaticContact CZ-CG 3.56Å; F116-Y145 HydrophobicContact CZ-CG 3.56Å; F116-Y145 PolarHBondContact N-O 2.98Å; F116-Y145 PolarHBondContact O-N 2.89Å; F116-L155 HydrophobicContact CD1-CD2 3.73Å; F116-L155 HydrophobicContact CE1-CD2 3.54Å; F116-F159 HydrophobicContact CE1-CZ 4.06Å; F116-F159 HydrophobicContact CZ-CZ 4.34Å; F116-F225 HydrophobicContact CZ-CZ 4.39Å
117	M	97.3	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154.2	173.5	-47.1	177.9	-81.6	0	0	110.1	L83 R93 I94 L96 L142 Q143 I144 L206	L83-M117 HydrophobicContact CD1-CE 4.35Å; R93-M117 CarbonylContact C-O 3.59Å; R93-M117 WeakPolarHBondContact CA-O 3.16Å; I94-M117 HydrophobicContact CB-CB 4.22Å; I94-M117 HydrophobicContact CB-CE 3.87Å; I94-M117 HydrophobicContact CD1-CE 4.41Å; I94-M117 HydrophobicContact CG2-CE 3.53Å; I94-M117 PolarHBondContact N-O 2.79Å; I94-M117 PolarHBondContact O-N 2.91Å; L96-M117 HydrophobicContact CD1-CE 4.44Å; M117-L142 HydrophobicContact CB-CD1 3.98Å; M117-Q143 CarbonylContact C-O 3.56Å; M117-Q143 WeakPolarHBondContact CA-O 3.35Å; M117-I144 HydrophobicContact CB-CG1 4.33Å; M117-I144 HydrophobicContact CG-CB 4.23Å; M117-I144 HydrophobicContact CG-CG1 3.83Å; M117-I144 HydrophobicContact CG-CG2 4.07Å; M117-I144 HydrophobicContact SD-CD1 4.15Å; M117-I144 HydrophobicContact SD-CG1 3.97Å; M117-L206 HydrophobicContact CE-CD2 3.68Å; M117-L206 HydrophobicContact SD-CD2 3.62Å
118	Q	97.6	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141	175.4	-71.8	-178.2	-48.9	0	0	110.4	D91 I92 F116 L142 Q143 Y145	D91-Q118 PolarHBondContact OD1-NE2 3.01Å; D91-Q118 PolarHBondContact OD2-NE2 3.24Å; I92-Q118 CarbonylContact O-C 3.49Å; I92-Q118 VanDerWaalsContact O-CA 3.28Å; I92-Q118 WeakPolarHBondContact O-CA 3.4Å; F116-Q118 HydrophobicContact CD2-CG 3.87Å; F116-Q118 HydrophobicContact CE2-CG 3.7Å; Q118-L142 CarbonylContact O-C 3.44Å; Q118-L142 WeakPolarHBondContact O-CA 3.4Å; Q118-Q143 PolarHBondContact N-O 3.3Å; Q118-Q143 PolarHBondContact O-N 3.39Å; Q118-Y145 HydrophobicContact CB-CE2 4.38Å; Q118-Y145 HydrophobicContact CG-CE2 4.31Å
119	I	98.2	Very high	96.6	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124	171.2	-62.6	177.2	0	0	0	109.1	I92 I94 F121 E141 L142 F172 V185	I92-I119 HydrophobicContact CB-CB 4.31Å; I92-I119 HydrophobicContact CD1-CB 4.43Å; I92-I119 PolarHBondContact N-O 3.22Å; I92-I119 PolarHBondContact O-N 3.42Å; I94-I119 HydrophobicContact CD1-CD1 3.91Å; I94-I119 HydrophobicContact CD1-CG1 4.39Å; I119-F121 HydrophobicContact CG2-CD1 4.27Å; I119-E141 WeakPolarHBondContact CA-O 3.3Å; I119-L142 HydrophobicContact CD1-CD1 4.41Å; I119-L142 HydrophobicContact CG1-CD1 3.78Å; I119-F172 HydrophobicContact CD1-CZ 4.28Å; I119-F172 HydrophobicContact CG1-CZ 4.38Å; I119-F172 HydrophobicContact CG2-CE2 3.68Å; I119-F172 HydrophobicContact CG2-CZ 3.98Å; I119-V185 HydrophobicContact CD1-CG1 3.55Å
120	K	97.6	Very high	96.9	Very high	15 Å²	15	27.1 Å²	27.1	7%	0.065	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.3	170.1	-62.3	-69.8	-176	179.1	0	109	Y90 D91 G140 E141 N268	Y90-K120 PolarHBondContact O-NZ 2.99Å; D91-K120 HydrophobicContact CB-CD 4.06Å; D91-K120 WeakPolarHBondContact OD2-CE 3.28Å; D91-K120 IonicContact OD2-NZ 3.89Å; D91-K120 PolarHBondContact OD2-NZ 2.93Å; K120-G140 CarbonylContact O-C 3.59Å; K120-G140 WeakPolarHBondContact O-CA 3.16Å; K120-E141 PolarHBondContact N-O 3.13Å; K120-E141 PolarHBondContact O-N 3.03Å; K120-N268 WeakPolarHBondContact CD-O 3.06Å; K120-N268 PolarHBondContact NZ-O 2.96Å
121	F	98.2	Very high	97	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.022	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.3	-179.1	57.9	-90.1	0	0	0	111.7	I92 I119 P139 L251 R252 L254 M265 A266 D267	I92-F121 HydrophobicContact CD1-CE1 4Å; I92-F121 HydrophobicContact CG1-CE1 4.39Å; I119-F121 HydrophobicContact CG2-CD1 4.27Å; F121-P139 WeakPolarHBondContact CA-O 2.85Å; F121-L251 HydrophobicContact CB-CD1 4.47Å; F121-L251 HydrophobicContact CD1-CB 4.12Å; F121-L251 HydrophobicContact CD1-CD1 4.34Å; F121-L251 HydrophobicContact CD2-CB 3.96Å; F121-L251 HydrophobicContact CE1-CB 4.14Å; F121-L251 VanDerWaalsContact CE2-C 3.45Å; F121-L251 HydrophobicContact CE2-CB 3.99Å; F121-L251 WeakPolarHBondContact CE2-O 3.4Å; F121-L251 HydrophobicContact CG-CB 4.03Å; F121-L251 HydrophobicContact CG-CD1 4.38Å; F121-L251 HydrophobicContact CZ-CB 4.07Å; F121-L251 WeakPolarHBondContact CZ-O 3.4Å; F121-R252 HydrophobicContact CD2-CG 4.44Å; F121-L254 HydrophobicContact CE1-CD1 4.28Å; F121-L254 HydrophobicContact CZ-CB 4.39Å; F121-L254 HydrophobicContact CZ-CD1 4.13Å; F121-M265 HydrophobicContact CE1-CG 4.49Å; F121-M265 HydrophobicContact CE1-SD 3.94Å; F121-M265 HydrophobicContact CZ-CB 4Å; F121-M265 HydrophobicContact CZ-CG 4.14Å; F121-M265 HydrophobicContact CZ-SD 3.98Å; F121-A266 HydrophobicContact CD2-CB 3.94Å; F121-A266 HydrophobicContact CE2-CB 3.78Å; F121-D267 PolarHBondContact O-N 3.22Å
122	G	97.7	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.			trans	-101.8	161.3	-179	0	0	0	0	0	114	V124 Q127 P139 R252 D267	G122-V124 PolarHBondContact O-N 3.48Å; G122-Q127 VanDerWaalsContact CA-O 3.3Å; G122-Q127 WeakPolarHBondContact CA-O 3.28Å; G122-P139 PolarHBondContact N-O 2.92Å; G122-R252 PolarHBondContact O-NE 3.1Å; G122-D267 WeakPolarHBondContact CA-OD1 3.24Å
123	S	97.4	Very high	97.1	Very high	52 Å²	52	23.6 Å²	23.6	36%	0.364	13%	0.129	S	C	.	.	S	Bend	trans	-70.8	-18.9	177	60.7	0	0	0	0	112.7	R252 D267	S123-R252 VanDerWaalsContact C-NE 3.32Å; S123-R252 WeakPolarHBondContact O-CD 3.3Å; S123-R252 PolarHBondContact O-NE 3.22Å; S123-R252 VanDerWaalsContact O-NE 3.07Å; S123-D267 WeakPolarHBondContact CB-OD2 3.46Å; S123-D267 PolarHBondContact N-OD1 3.05Å; S123-D267 PolarHBondContact OG-OD1 2.95Å; S123-D267 PolarHBondContact OG-OD2 3.25Å
124	V	97.4	Very high	97.1	Very high	63 Å²	63	23.7 Å²	23.7	38%	0.382	13%	0.134	S	C	.	.	S	Bend	trans	-135	157.6	178.1	-68.5	0	0	0	0	110.2	G122 N126 Q127 R252	G122-V124 PolarHBondContact O-N 3.48Å; V124-N126 WeakPolarHBondContact CG2-OD1 3.37Å; V124-N126 PolarHBondContact O-N 3.09Å; V124-Q127 HydrophobicContact CG2-CG 3.72Å; V124-Q127 PolarHBondContact O-N 2.99Å; V124-R252 PolarHBondContact O-NH2 3.07Å
125	S	97	Very high	97.1	Very high	33 Å²	33	25.9 Å²	25.9	23%	0.231	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.7	-166.3	-51.7	0	0	0	0	114.7	P139 E245 R252	S125-P139 VanDerWaalsContact O-CD 3.28Å; S125-P139 WeakPolarHBondContact O-CD 3.34Å; S125-P139 WeakPolarHBondContact O-CG 3.36Å; S125-E245 PolarHBondContact OG-OE1 2.75Å; S125-E245 PolarHBondContact OG-OE2 3.37Å; S125-R252 VanDerWaalsContact N-NH2 3.17Å; S125-R252 PolarHBondContact OG-NH2 3.21Å
126	N	95.7	Very high	97.1	Very high	115 Å²	115	29 Å²	29	62%	0.615	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	8.1	175.8	66.2	-27.2	0	0	0	113.2	V124	V124-N126 WeakPolarHBondContact CG2-OD1 3.37Å; V124-N126 PolarHBondContact O-N 3.09Å
127	Q	96.4	Very high	97.2	Very high	64 Å²	64	30 Å²	30	30%	0.299	18%	0.18	S	C	.	.			trans	-149.1	163.8	174.6	78.2	-171.4	42.6	0	0	110.2	G122 V124 A137 F138 P139 D267 F269	G122-Q127 VanDerWaalsContact CA-O 3.3Å; G122-Q127 WeakPolarHBondContact CA-O 3.28Å; V124-Q127 HydrophobicContact CG2-CG 3.72Å; V124-Q127 PolarHBondContact O-N 2.99Å; Q127-A137 HydrophobicContact CB-CB 4.47Å; Q127-F138 CarbonylContact C-O 3.6Å; Q127-P139 CarbonylContact O-C 3.56Å; Q127-P139 VanDerWaalsContact O-CA 3.23Å; Q127-P139 WeakPolarHBondContact O-CA 3.33Å; Q127-D267 PolarHBondContact NE2-OD1 3.33Å; Q127-D267 PolarHBondContact NE2-OD2 3.45Å; Q127-F269 HydrophobicContact CB-CZ 4.4Å; Q127-F269 HydrophobicContact CG-CE1 4.29Å; Q127-F269 HydrophobicContact CG-CZ 4.27Å
128	G	96.7	Very high	97.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.			trans	140.3	-29.8	179	0	0	0	0	0	114.9	F138	G128-F138 CarbonylContact C-O 3.47Å; G128-F138 WeakPolarHBondContact CA-O 3.33Å; G128-F138 PolarHBondContact N-O 2.82Å
129	S	98.2	Very high	97.2	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.028	19%	0.188	C	C	.	.			trans	-75.8	146.9	171	65.9	0	0	0	0	111.7	H131 F138 E141	S129-H131 WeakPolarHBondContact CB-O 3.39Å; S129-H131 PolarHBondContact OG-O 2.89Å; S129-F138 PolarHBondContact N-O 3.4Å; S129-F138 PolarHBondContact OG-N 3.09Å; S129-E141 WeakPolarHBondContact CB-OE2 3.4Å
130	E	97.7	Very high	97.2	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.033	19%	0.187	C	C	.	.	S	Bend	trans	-78.5	-46.9	173.5	-85	-167.6	145.4	0	0	110.2	P55 E141 Q143 P224 F269 R270	P55-E130 VanDerWaalsContact CB-C 3.43Å; P55-E130 HydrophobicContact CB-CB 3.89Å; P55-E130 VanDerWaalsContact CB-O 3.28Å; P55-E130 WeakPolarHBondContact CB-O 3.14Å; P55-E130 HydrophobicContact CG-CB 3.75Å; P55-E130 HydrophobicContact CG-CG 4.45Å; P55-E130 WeakPolarHBondContact CG-O 3.45Å; E130-E141 PolarHBondContact N-OE2 2.89Å; E130-Q143 PolarHBondContact OE2-NE2 3.46Å; E130-P224 VanDerWaalsContact OE2-CB 3.24Å; E130-P224 WeakPolarHBondContact OE2-CB 3.25Å; E130-P224 VanDerWaalsContact OE2-CG 3.26Å; E130-P224 WeakPolarHBondContact OE2-CG 3.13Å; E130-F269 HydrophobicContact CG-CB 3.47Å; E130-F269 VanDerWaalsContact CG-CB 3.47Å; E130-R270 WeakPolarHBondContact OE1-CB 3.25Å; E130-R270 PolarHBondContact OE1-N 3.48Å
131	H	98.3	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-75.9	150.7	171.7	-63.1	89.6	0	0	0	110.7	S129 E141 F171 Y219 W234	S129-H131 WeakPolarHBondContact CB-O 3.39Å; S129-H131 PolarHBondContact OG-O 2.89Å; H131-E141 IonicContact CE1-OE1 3.54Å; H131-E141 IonicContact CG-OE1 2.75Å; H131-E141 PolarHBondContact N-OE2 2.85Å; H131-E141 IonicContact ND1-OE1 3.07Å; H131-E141 PolarHBondContact ND1-OE1 3.34Å; H131-E141 IonicContact ND1-OE2 3.73Å; H131-F171 HydrophobicContact CB-CE1 3.67Å; H131-F171 HydrophobicContact CB-CZ 3.58Å; H131-F171 WeakPolarHBondContact O-CE1 3.39Å; H131-Y219 AromaticContact NE2-CE1 3.83Å; H131-Y219 AromaticContact NE2-CZ 3.75Å; H131-Y219 PolarHBondContact NE2-OH 2.97Å; H131-W234 AromaticContact CE1-CD2 3.86Å; H131-W234 AromaticContact CE1-CE2 3.96Å; H131-W234 AromaticContact CE1-CE3 3.77Å; H131-W234 AromaticContact CE1-CH2 3.89Å; H131-W234 AromaticContact CE1-CZ2 3.98Å; H131-W234 AromaticContact CE1-CZ3 3.79Å
132	T	97.7	Very high	97.3	Very high	17 Å²	17	30.6 Å²	30.6	10%	0.104	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.8	173.7	57.6	0	0	0	0	110.1	I56 N57 I58 K136 A137 T272	I56-T132 PolarHBondContact O-N 3.2Å; N57-T132 WeakPolarHBondContact CA-OG1 3.25Å; N57-T132 VanDerWaalsContact CB-OG1 3.31Å; N57-T132 WeakPolarHBondContact CB-OG1 3.36Å; N57-T132 PolarHBondContact OD1-O 3.4Å; N57-T132 PolarHBondContact OD1-OG1 2.87Å; N57-T132 VanDerWaalsContact OD1-OG1 3.11Å; I58-T132 PolarHBondContact N-O 2.98Å; T132-K136 VanDerWaalsContact CA-O 3.28Å; T132-K136 WeakPolarHBondContact CA-O 3.41Å; T132-K136 VanDerWaalsContact CB-O 3.28Å; T132-K136 WeakPolarHBondContact CB-O 3.44Å; T132-A137 HydrophobicContact CG2-CB 3.99Å; T132-T272 HydrophobicContact CG2-CG2 4Å; T132-T272 WeakPolarHBondContact OG1-CG2 3.23Å
133	I	97	Very high	97.3	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	174.9	-54.8	-58.2	0	0	0	107.9	I58 T60 G135 K136 F138 F171 M217 Y301	I58-I133 HydrophobicContact CB-CD1 3.7Å; I58-I133 HydrophobicContact CD1-CD1 3.83Å; I58-I133 HydrophobicContact CG1-CD1 4.24Å; I58-I133 HydrophobicContact CG2-CD1 4.21Å; I58-I133 WeakPolarHBondContact O-CA 3.48Å; T60-I133 HydrophobicContact CG2-CG2 3.66Å; I133-G135 PolarHBondContact O-N 3.34Å; I133-G135 VanDerWaalsContact O-N 3.13Å; I133-K136 PolarHBondContact N-O 3.5Å; I133-K136 WeakPolarHBondContact O-CB 3.33Å; I133-K136 PolarHBondContact O-N 3.39Å; I133-F138 HydrophobicContact CB-CE2 4.46Å; I133-F138 HydrophobicContact CG1-CE2 4.08Å; I133-F171 HydrophobicContact CD1-CE2 3.87Å; I133-F171 HydrophobicContact CD1-CZ 4.14Å; I133-F171 HydrophobicContact CG1-CE2 3.81Å; I133-F171 HydrophobicContact CG1-CZ 4.16Å; I133-M217 HydrophobicContact CD1-CE 4.04Å; I133-Y301 HydrophobicContact CB-CD1 3.91Å; I133-Y301 HydrophobicContact CB-CE1 4.36Å; I133-Y301 HydrophobicContact CG1-CD1 3.79Å; I133-Y301 HydrophobicContact CG1-CE1 3.73Å; I133-Y301 HydrophobicContact CG2-CD1 3.84Å; I133-Y301 HydrophobicContact CG2-CG 3.97Å
134	D	96.2	Very high	97.3	Very high	68 Å²	68	28.1 Å²	28.1	36%	0.364	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	39.5	-176.4	-63.6	-40.8	0	0	0	113.2	N57 I58 M59 T60 K136	N57-D134 PolarHBondContact OD1-N 2.88Å; I58-D134 PolarHBondContact O-N 2.99Å; M59-D134 WeakPolarHBondContact CA-OD1 3.29Å; T60-D134 WeakPolarHBondContact CB-OD2 3.32Å; T60-D134 WeakPolarHBondContact CG2-OD2 3.46Å; T60-D134 PolarHBondContact N-OD1 2.81Å; T60-D134 VanDerWaalsContact OG1-CG 3.31Å; T60-D134 PolarHBondContact OG1-OD1 2.82Å; T60-D134 PolarHBondContact OG1-OD2 3.23Å; D134-K136 VanDerWaalsContact C-N 3.33Å
135	G	95.2	Very high	97.3	Very high	53 Å²	53	25.1 Å²	25.1	55%	0.546	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	8.4	179.2	0	0	0	0	0	114.9	N57 I133	N57-G135 PolarHBondContact OD1-N 2.9Å; I133-G135 PolarHBondContact O-N 3.34Å; I133-G135 VanDerWaalsContact O-N 3.13Å
136	K	96.2	Very high	97.3	Very high	90 Å²	90	23.6 Å²	23.6	39%	0.391	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-110.6	131.3	-177	-61.7	-179.7	-173.6	-167.7	0	111.5	T132 I133 D134 A303	T132-K136 VanDerWaalsContact CA-O 3.28Å; T132-K136 WeakPolarHBondContact CA-O 3.41Å; T132-K136 VanDerWaalsContact CB-O 3.28Å; T132-K136 WeakPolarHBondContact CB-O 3.44Å; I133-K136 PolarHBondContact N-O 3.5Å; I133-K136 WeakPolarHBondContact O-CB 3.33Å; I133-K136 PolarHBondContact O-N 3.39Å; D134-K136 VanDerWaalsContact C-N 3.33Å; K136-A303 HydrophobicContact CD-CB 3.01Å; K136-A303 HydrophobicContact CG-CB 4.41Å; K136-A303 VanDerWaalsContact NZ-C 3.33Å; K136-A303 PolarHBondContact NZ-O 3.12Å
137	A	97	Very high	97.3	Very high	34 Å²	34	18.9 Å²	18.9	28%	0.281	11%	0.111	S	C	.	.			trans	-91.7	160.1	176.7	0	0	0	0	0	111.4	Q127 T132	Q127-A137 HydrophobicContact CB-CB 4.47Å; T132-A137 HydrophobicContact CG2-CB 3.99Å
138	F	97.9	Very high	97.4	Very high	25 Å²	25	15.8 Å²	15.8	11%	0.11	10%	0.097	C	C	.	.			trans	-107.5	156.1	176.1	-71.8	-92.1	0	0	0	110.2	Q127 G128 S129 I133 G140 F171 F172 Y301	Q127-F138 CarbonylContact C-O 3.6Å; G128-F138 CarbonylContact C-O 3.47Å; G128-F138 WeakPolarHBondContact CA-O 3.33Å; G128-F138 PolarHBondContact N-O 2.82Å; S129-F138 PolarHBondContact N-O 3.4Å; S129-F138 PolarHBondContact OG-N 3.09Å; I133-F138 HydrophobicContact CB-CE2 4.46Å; I133-F138 HydrophobicContact CG1-CE2 4.08Å; F138-G140 PolarHBondContact O-N 2.8Å; F138-F171 HydrophobicContact CB-CB 4.14Å; F138-F171 HydrophobicContact CB-CD1 4.06Å; F138-F171 HydrophobicContact CB-CG 4.38Å; F138-F171 HydrophobicContact CD1-CB 3.89Å; F138-F171 HydrophobicContact CD1-CG 4.39Å; F138-F171 HydrophobicContact CD2-CB 3.99Å; F138-F171 AromaticContact CD2-CD1 3.5Å; F138-F171 HydrophobicContact CD2-CD1 3.5Å; F138-F171 HydrophobicContact CD2-CD2 4.09Å; F138-F171 AromaticContact CD2-CE1 3.93Å; F138-F171 HydrophobicContact CD2-CE1 3.93Å; F138-F171 HydrophobicContact CD2-CE2 4.46Å; F138-F171 AromaticContact CD2-CG 3.59Å; F138-F171 HydrophobicContact CD2-CG 3.59Å; F138-F171 HydrophobicContact CD2-CZ 4.39Å; F138-F171 HydrophobicContact CE1-CB 4.38Å; F138-F171 HydrophobicContact CE2-CB 4.48Å; F138-F171 HydrophobicContact CE2-CD1 4.26Å; F138-F171 HydrophobicContact CE2-CD2 4.05Å; F138-F171 HydrophobicContact CE2-CE2 4.32Å; F138-F171 HydrophobicContact CE2-CG 4.01Å; F138-F171 HydrophobicContact CG-CB 3.7Å; F138-F171 AromaticContact CG-CD1 3.88Å; F138-F171 HydrophobicContact CG-CD1 3.88Å; F138-F171 AromaticContact CG-CG 3.84Å; F138-F171 HydrophobicContact CG-CG 3.84Å; F138-F172 WeakPolarHBondContact CB-O 3.45Å; F138-F172 WeakPolarHBondContact CD1-O 3.24Å; F138-Y301 HydrophobicContact CE1-CE1 4.12Å; F138-Y301 HydrophobicContact CE2-CD1 4.18Å; F138-Y301 AromaticContact CE2-CE1 3.82Å; F138-Y301 HydrophobicContact CE2-CE1 3.82Å; F138-Y301 AromaticContact CZ-CD1 3.55Å; F138-Y301 HydrophobicContact CZ-CD1 3.55Å; F138-Y301 AromaticContact CZ-CE1 3.28Å; F138-Y301 HydrophobicContact CZ-CE1 3.28Å
139	P	98.1	Very high	97.3	Very high	8 Å²	8	17.7 Å²	17.7	5%	0.052	11%	0.107	C	C	.	.	S	Bend	trans	-52.5	-23.5	176.5	-9.4	0.6	0	0	0	115.4	F121 G122 S125 Q127 F172 L248	F121-P139 WeakPolarHBondContact CA-O 2.85Å; G122-P139 PolarHBondContact N-O 2.92Å; S125-P139 VanDerWaalsContact O-CD 3.28Å; S125-P139 WeakPolarHBondContact O-CD 3.34Å; S125-P139 WeakPolarHBondContact O-CG 3.36Å; Q127-P139 CarbonylContact O-C 3.56Å; Q127-P139 VanDerWaalsContact O-CA 3.23Å; Q127-P139 WeakPolarHBondContact O-CA 3.33Å; P139-F172 VanDerWaalsContact CD-O 3.28Å; P139-F172 WeakPolarHBondContact CD-O 3.32Å; P139-L248 HydrophobicContact CB-CD1 3.67Å; P139-L248 HydrophobicContact CB-CD2 3.94Å; P139-L248 HydrophobicContact CB-CG 4.48Å; P139-L248 HydrophobicContact CG-CD1 4.32Å
140	G	98	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	175.7	177.6	0	0	0	0	0	112.4	K120 F138 F172	K120-G140 CarbonylContact O-C 3.59Å; K120-G140 WeakPolarHBondContact O-CA 3.16Å; F138-G140 PolarHBondContact O-N 2.8Å; G140-F172 WeakPolarHBondContact O-CB 3.36Å; G140-F172 PolarHBondContact O-N 2.9Å
141	E	98.3	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	129	-176.1	-171.3	179.1	148.1	0	0	109.7	I119 K120 S129 E130 H131 Q143 S169 V170 F171	I119-E141 WeakPolarHBondContact CA-O 3.3Å; K120-E141 PolarHBondContact N-O 3.13Å; K120-E141 PolarHBondContact O-N 3.03Å; S129-E141 WeakPolarHBondContact CB-OE2 3.4Å; E130-E141 PolarHBondContact N-OE2 2.89Å; H131-E141 IonicContact CE1-OE1 3.54Å; H131-E141 IonicContact CG-OE1 2.75Å; H131-E141 PolarHBondContact N-OE2 2.85Å; H131-E141 IonicContact ND1-OE1 3.07Å; H131-E141 PolarHBondContact ND1-OE1 3.34Å; H131-E141 IonicContact ND1-OE2 3.73Å; E141-Q143 HydrophobicContact CG-CG 4.04Å; E141-Q143 WeakPolarHBondContact OE1-CG 3.19Å; E141-Q143 PolarHBondContact OE1-NE2 2.79Å; E141-S169 WeakPolarHBondContact CG-OG 3.29Å; E141-S169 PolarHBondContact OE1-OG 2.92Å; E141-V170 WeakPolarHBondContact CA-O 3.48Å; E141-F171 HydrophobicContact CG-CD1 4.34Å
142	L	98.3	Very high	97	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.7	166.9	170.4	67.1	0	0	0	108.4	M117 Q118 I119 I144 S169 V170 F172 L209	M117-L142 HydrophobicContact CB-CD1 3.98Å; Q118-L142 CarbonylContact O-C 3.44Å; Q118-L142 WeakPolarHBondContact O-CA 3.4Å; I119-L142 HydrophobicContact CD1-CD1 4.41Å; I119-L142 HydrophobicContact CG1-CD1 3.78Å; L142-I144 HydrophobicContact CD1-CG1 4.47Å; L142-I144 HydrophobicContact CD2-CD1 4.36Å; L142-I144 HydrophobicContact CD2-CG1 4.46Å; L142-I144 HydrophobicContact CG-CG1 4.18Å; L142-S169 CarbonylContact O-C 3.5Å; L142-S169 WeakPolarHBondContact O-CA 3.47Å; L142-V170 HydrophobicContact CB-CB 4.35Å; L142-V170 PolarHBondContact N-O 3.22Å; L142-V170 PolarHBondContact O-N 3.29Å; L142-F172 HydrophobicContact CB-CE1 3.74Å; L142-F172 HydrophobicContact CB-CZ 4.09Å; L142-L209 HydrophobicContact CD2-CB 4.04Å; L142-L209 HydrophobicContact CD2-CD1 4.49Å
143	Q	98.2	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.6	177.8	-63.8	173.7	-21.6	0	0	109.1	M117 Q118 E130 E141 Y145 I168 W234	M117-Q143 CarbonylContact C-O 3.56Å; M117-Q143 WeakPolarHBondContact CA-O 3.35Å; Q118-Q143 PolarHBondContact N-O 3.3Å; Q118-Q143 PolarHBondContact O-N 3.39Å; E130-Q143 PolarHBondContact OE2-NE2 3.46Å; E141-Q143 HydrophobicContact CG-CG 4.04Å; E141-Q143 WeakPolarHBondContact OE1-CG 3.19Å; E141-Q143 PolarHBondContact OE1-NE2 2.79Å; Q143-Y145 HydrophobicContact CB-CE2 3.76Å; Q143-Y145 PolarHBondContact OE1-OH 3.47Å; Q143-Y145 VanDerWaalsContact OE1-OH 3.08Å; Q143-I168 CarbonylContact C-O 3.55Å; Q143-I168 VanDerWaalsContact CA-O 3.32Å; Q143-I168 WeakPolarHBondContact CA-O 3.28Å; Q143-W234 HydrophobicContact CB-CH2 4.44Å; Q143-W234 HydrophobicContact CB-CZ3 4.47Å; Q143-W234 HydrophobicContact CG-CH2 4.08Å; Q143-W234 HydrophobicContact CG-CZ3 4.13Å
144	I	97.4	Very high	96.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.1	-177.7	-56.5	177.8	0	0	0	107.5	I114 M117 L142 A167 I168 L210	I114-I144 HydrophobicContact CD1-CG2 3.8Å; I114-I144 HydrophobicContact CG1-CG2 4.01Å; I114-I144 HydrophobicContact CG2-CG2 3.89Å; M117-I144 HydrophobicContact CB-CG1 4.33Å; M117-I144 HydrophobicContact CG-CB 4.23Å; M117-I144 HydrophobicContact CG-CG1 3.83Å; M117-I144 HydrophobicContact CG-CG2 4.07Å; M117-I144 HydrophobicContact SD-CD1 4.15Å; M117-I144 HydrophobicContact SD-CG1 3.97Å; L142-I144 HydrophobicContact CD1-CG1 4.47Å; L142-I144 HydrophobicContact CD2-CD1 4.36Å; L142-I144 HydrophobicContact CD2-CG1 4.46Å; L142-I144 HydrophobicContact CG-CG1 4.18Å; I144-A167 CarbonylContact O-C 3.43Å; I144-A167 VanDerWaalsContact O-CA 3.25Å; I144-A167 WeakPolarHBondContact O-CA 3.4Å; I144-I168 HydrophobicContact CB-CB 4.25Å; I144-I168 PolarHBondContact N-O 3.09Å; I144-I168 PolarHBondContact O-N 2.82Å; I144-L210 HydrophobicContact CD1-CD2 3.51Å; I144-L210 HydrophobicContact CD1-CG 4.43Å
145	Y	97.2	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.6	-177.1	-68.6	-84.9	0	0	0	110.8	S115 F116 Q118 Q143 I165 A167 L223 P224 F225 W234	S115-Y145 PolarHBondContact N-O 2.83Å; F116-Y145 AromaticContact CD2-CD2 3.96Å; F116-Y145 HydrophobicContact CD2-CD2 3.96Å; F116-Y145 HydrophobicContact CE1-CD2 4.32Å; F116-Y145 HydrophobicContact CE1-CG 4.08Å; F116-Y145 AromaticContact CE2-CD2 3.26Å; F116-Y145 HydrophobicContact CE2-CD2 3.26Å; F116-Y145 AromaticContact CE2-CE2 3.87Å; F116-Y145 HydrophobicContact CE2-CE2 3.87Å; F116-Y145 AromaticContact CE2-CG 3.86Å; F116-Y145 HydrophobicContact CE2-CG 3.86Å; F116-Y145 HydrophobicContact CZ-CD1 4.36Å; F116-Y145 AromaticContact CZ-CD2 3.48Å; F116-Y145 HydrophobicContact CZ-CD2 3.48Å; F116-Y145 VanDerWaalsContact CZ-CD2 3.48Å; F116-Y145 HydrophobicContact CZ-CE2 4.2Å; F116-Y145 AromaticContact CZ-CG 3.56Å; F116-Y145 HydrophobicContact CZ-CG 3.56Å; F116-Y145 PolarHBondContact N-O 2.98Å; F116-Y145 PolarHBondContact O-N 2.89Å; Q118-Y145 HydrophobicContact CB-CE2 4.38Å; Q118-Y145 HydrophobicContact CG-CE2 4.31Å; Q143-Y145 HydrophobicContact CB-CE2 3.76Å; Q143-Y145 PolarHBondContact OE1-OH 3.47Å; Q143-Y145 VanDerWaalsContact OE1-OH 3.08Å; Y145-I165 HydrophobicContact CD1-CG2 4.09Å; Y145-A167 HydrophobicContact CD1-CB 4.07Å; Y145-A167 HydrophobicContact CE1-CB 4.11Å; Y145-L223 HydrophobicContact CD1-CD2 4.4Å; Y145-L223 HydrophobicContact CE1-CD2 4.05Å; Y145-P224 WeakPolarHBondContact OH-CD 3.39Å; Y145-P224 WeakPolarHBondContact OH-CG 3.42Å; Y145-F225 HydrophobicContact CE1-CE1 4.27Å; Y145-F225 HydrophobicContact CE1-CZ 4.45Å; Y145-F225 HydrophobicContact CE2-CE1 4.25Å; Y145-F225 AromaticContact CZ-CE1 3.78Å; Y145-W234 HydrophobicContact CE1-CH2 4.28Å; Y145-W234 HydrophobicContact CE1-CZ2 4.49Å
146	S	96.9	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.2	-179.1	-42.9	0	0	0	0	109.5	L103 R113 I165 L166	L103-S146 VanDerWaalsContact CD1-CB 3.42Å; L103-S146 WeakPolarHBondContact CD1-OG 3.1Å; R113-S146 CarbonylContact O-C 3.6Å; R113-S146 WeakPolarHBondContact O-CA 3.04Å; R113-S146 WeakPolarHBondContact O-CB 3.43Å; S146-I165 CarbonylContact O-C 3.49Å; S146-I165 WeakPolarHBondContact O-CA 3.33Å; S146-L166 WeakPolarHBondContact CB-O 3.15Å; S146-L166 PolarHBondContact N-O 3.21Å; S146-L166 PolarHBondContact O-N 2.9Å
147	F	97.1	Very high	96.2	Very high	16 Å²	16	28.1 Å²	28.1	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.4	178.4	77.2	-78.3	0	0	0	111.4	Y112 R113 S115 N149 L155 A158 G164 I165	Y112-F147 CarbonylContact C-O 3.4Å; Y112-F147 VanDerWaalsContact CA-O 3.24Å; Y112-F147 WeakPolarHBondContact CA-O 3.41Å; R113-F147 HydrophobicContact CB-CD1 4.25Å; R113-F147 HydrophobicContact CB-CE1 3.81Å; R113-F147 HydrophobicContact CB-CZ 4.28Å; R113-F147 HydrophobicContact CG-CE1 4.11Å; R113-F147 PolarHBondContact N-O 2.98Å; R113-F147 WeakPolarHBondContact O-CD1 3.32Å; R113-F147 PolarHBondContact O-N 3.45Å; S115-F147 WeakPolarHBondContact OG-CD1 3.44Å; F147-N149 HydrophobicContact CD2-CB 4.33Å; F147-N149 HydrophobicContact CE2-CB 3.74Å; F147-N149 HydrophobicContact CZ-CB 4Å; F147-N149 PolarHBondContact O-N 2.75Å; F147-L155 HydrophobicContact CB-CB 4.48Å; F147-L155 HydrophobicContact CB-CD1 3.99Å; F147-L155 HydrophobicContact CD1-CB 4.35Å; F147-L155 HydrophobicContact CG-CB 4.46Å; F147-A158 HydrophobicContact CB-CB 3.73Å; F147-A158 HydrophobicContact CD2-CB 4.48Å; F147-G164 CarbonylContact C-O 3.25Å; F147-G164 VanDerWaalsContact CA-O 3.27Å; F147-G164 WeakPolarHBondContact CA-O 3.27Å; F147-I165 HydrophobicContact CB-CD1 4.2Å
148	N	97.5	Very high	96.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	101.7	176.1	-173.4	-37	0	0	0	109.5	Y110 Y112 E150 L151 Y152 N163 G164	Y110-N148 VanDerWaalsContact CB-ND2 3.29Å; Y110-N148 WeakPolarHBondContact CB-ND2 3.46Å; Y110-N148 WeakPolarHBondContact CD2-ND2 3.34Å; Y112-N148 HydrophobicContact CD1-CB 3.99Å; Y112-N148 VanDerWaalsContact CD1-N 3.29Å; Y112-N148 HydrophobicContact CE1-CB 3.53Å; N148-E150 VanDerWaalsContact C-N 3.28Å; N148-E150 PolarHBondContact O-N 2.83Å; N148-E150 PolarHBondContact OD1-N 2.63Å; N148-E150 VanDerWaalsContact OD1-N 3.1Å; N148-L151 WeakPolarHBondContact ND2-CD1 3.21Å; N148-L151 PolarHBondContact OD1-N 2.76Å; N148-Y152 HydrophobicContact CB-CD2 4Å; N148-Y152 HydrophobicContact CB-CE2 4.28Å; N148-Y152 PolarHBondContact O-N 2.81Å; N148-N163 VanDerWaalsContact CB-O 3.3Å; N148-N163 WeakPolarHBondContact CB-O 3.49Å; N148-N163 PolarHBondContact ND2-O 2.91Å; N148-G164 PolarHBondContact N-O 3.29Å
149	N	95.1	Very high	95.7	Very high	40 Å²	40	25.9 Å²	25.9	21%	0.214	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.7	-176.1	68.6	-97.6	0	0	0	113.2	V111 Y112 R113 F147	V111-N149 PolarHBondContact O-N 2.99Å; V111-N149 PolarHBondContact O-OD1 3.5Å; V111-N149 VanDerWaalsContact O-OD1 3.09Å; Y112-N149 WeakPolarHBondContact CA-OD1 3.36Å; R113-N149 HydrophobicContact CB-CB 4.05Å; R113-N149 PolarHBondContact N-OD1 3.41Å; R113-N149 VanDerWaalsContact N-OD1 3.13Å; F147-N149 HydrophobicContact CD2-CB 4.33Å; F147-N149 HydrophobicContact CE2-CB 3.74Å; F147-N149 HydrophobicContact CZ-CB 4Å; F147-N149 PolarHBondContact O-N 2.75Å
150	E	95.5	Very high	95.4	Very high	113 Å²	113	30.7 Å²	30.7	53%	0.528	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-36	169.2	-61.6	-169.8	140.1	0	0	111.3	Y110 V111 N148	Y110-E150 WeakPolarHBondContact CA-OE2 3.45Å; Y110-E150 WeakPolarHBondContact CD1-OE2 3.38Å; V111-E150 HydrophobicContact CB-CG 3.93Å; V111-E150 HydrophobicContact CG2-CG 4.32Å; V111-E150 WeakPolarHBondContact CG2-OE1 3.2Å; V111-E150 PolarHBondContact N-OE2 3.01Å; N148-E150 VanDerWaalsContact C-N 3.28Å; N148-E150 PolarHBondContact O-N 2.83Å; N148-E150 PolarHBondContact OD1-N 2.63Å; N148-E150 VanDerWaalsContact OD1-N 3.1Å
151	L	96.2	Very high	95.2	Very high	76 Å²	76	35.3 Å²	35.3	40%	0.398	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-29.1	-178.1	-62.7	-175.1	0	0	0	113.7	Y110 N148 N163	Y110-L151 HydrophobicContact CD1-CD1 4.36Å; Y110-L151 HydrophobicContact CD1-CG 4.21Å; Y110-L151 HydrophobicContact CE1-CD1 3.93Å; Y110-L151 HydrophobicContact CE1-CD2 3.95Å; Y110-L151 HydrophobicContact CE1-CG 3.98Å; Y110-L151 HydrophobicContact CE2-CD1 4.33Å; N148-L151 WeakPolarHBondContact ND2-CD1 3.21Å; N148-L151 PolarHBondContact OD1-N 2.76Å; L151-N163 HydrophobicContact CD1-CB 4.44Å
152	Y	96.6	Very high	94.9	Very high	25 Å²	25	39.8 Å²	39.8	10%	0.098	20%	0.197	C	C	.	.			trans	-130.3	148.8	-170.7	-51.9	-59.2	0	0	0	112.2	N148 A158 R161 P162	N148-Y152 HydrophobicContact CB-CD2 4Å; N148-Y152 HydrophobicContact CB-CE2 4.28Å; N148-Y152 PolarHBondContact O-N 2.81Å; Y152-A158 HydrophobicContact CD2-CB 3.66Å; Y152-A158 HydrophobicContact CE2-CB 4.5Å; Y152-A158 HydrophobicContact CG-CB 4.02Å; Y152-R161 HydrophobicContact CD1-CB 4.49Å; Y152-R161 HydrophobicContact CE1-CB 3.69Å; Y152-R161 HydrophobicContact CE1-CG 4.18Å; Y152-R161 HydrophobicContact CE2-CB 4.19Å; Y152-R161 VanDerWaalsContact CZ-CB 3.5Å; Y152-R161 WeakPolarHBondContact OH-CB 3.32Å; Y152-P162 PolarHBondContact OH-O 3.37Å
153	N	93.9	Very high	94.8	Very high	152 Å²	152	43 Å²	43	81%	0.813	21%	0.214	S	C	*	.	S	Bend	trans	-77.3	-31.7	-176.5	-67.4	-35	0	0	0	112.9
154	N	92.8	Very high	94.7	Very high	63 Å²	63	43 Å²	43	34%	0.337	21%	0.214	S	C	.	.	S	Bend	trans	-154.4	170.9	-177.1	59	53	0	0	0	111.1	S156 D157 A158	N154-S156 WeakPolarHBondContact OD1-CB 3.44Å; N154-S156 PolarHBondContact OD1-N 3.23Å; N154-D157 PolarHBondContact O-N 2.91Å; N154-D157 VanDerWaalsContact OD1-CB 3.29Å; N154-D157 WeakPolarHBondContact OD1-CB 3.25Å; N154-D157 PolarHBondContact OD1-N 2.75Å; N154-A158 PolarHBondContact O-N 2.76Å
155	L	92.4	Very high	94.7	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-43.4	179.9	175.6	70.1	0	0	0	112.3	F116 F147 D157 A158 F159 I165	F116-L155 HydrophobicContact CD1-CD2 3.73Å; F116-L155 HydrophobicContact CE1-CD2 3.54Å; F147-L155 HydrophobicContact CB-CB 4.48Å; F147-L155 HydrophobicContact CB-CD1 3.99Å; F147-L155 HydrophobicContact CD1-CB 4.35Å; F147-L155 HydrophobicContact CG-CB 4.46Å; L155-D157 PolarHBondContact O-N 3.01Å; L155-A158 PolarHBondContact O-N 2.91Å; L155-F159 HydrophobicContact CD1-CD2 4.37Å; L155-F159 HydrophobicContact CD1-CE1 4.11Å; L155-F159 HydrophobicContact CD1-CE2 3.92Å; L155-F159 HydrophobicContact CD1-CZ 3.79Å; L155-F159 HydrophobicContact CD2-CE2 3.6Å; L155-F159 HydrophobicContact CD2-CZ 3.74Å; L155-F159 HydrophobicContact CG-CD2 3.96Å; L155-F159 HydrophobicContact CG-CE1 4.49Å; L155-F159 HydrophobicContact CG-CE2 3.41Å; L155-F159 VanDerWaalsContact CG-CE2 3.41Å; L155-F159 HydrophobicContact CG-CZ 3.74Å; L155-F159 WeakPolarHBondContact O-CD2 3.47Å; L155-F159 PolarHBondContact O-N 3.33Å; L155-I165 HydrophobicContact CD1-CD1 3.59Å
156	S	91.8	Very high	94.7	Very high	11 Å²	11	43 Å²	43	8%	0.077	21%	0.214	C	C	.	.	H	α-helix	trans	-54.4	-39.2	179.7	-57.3	0	0	0	0	111.6	N154 Y160	N154-S156 WeakPolarHBondContact OD1-CB 3.44Å; N154-S156 PolarHBondContact OD1-N 3.23Å; S156-Y160 WeakPolarHBondContact O-CD1 3.38Å; S156-Y160 WeakPolarHBondContact O-CE1 3.45Å
157	D	93.5	Very high	94.8	Very high	20 Å²	20	43 Å²	43	11%	0.107	21%	0.214	C	C	.	.	H	α-helix	trans	-75.7	-33.3	179.8	-167.1	31.2	0	0	0	114	N154 L155 Y160 R161	N154-D157 PolarHBondContact O-N 2.91Å; N154-D157 VanDerWaalsContact OD1-CB 3.29Å; N154-D157 WeakPolarHBondContact OD1-CB 3.25Å; N154-D157 PolarHBondContact OD1-N 2.75Å; L155-D157 PolarHBondContact O-N 3.01Å; D157-Y160 PolarHBondContact OD1-OH 2.81Å; D157-R161 VanDerWaalsContact CG-CZ 3.44Å; D157-R161 WeakPolarHBondContact O-CG 3.41Å; D157-R161 PolarHBondContact O-NE 2.9Å; D157-R161 IonicContact OD1-CZ 3.03Å; D157-R161 IonicContact OD1-NE 2.87Å; D157-R161 PolarHBondContact OD1-NE 3.31Å; D157-R161 IonicContact OD1-NH2 2.55Å; D157-R161 PolarHBondContact OD1-NH2 3.13Å; D157-R161 IonicContact OD2-CZ 3.19Å; D157-R161 IonicContact OD2-NE 3.6Å; D157-R161 IonicContact OD2-NH2 2.61Å; D157-R161 PolarHBondContact OD2-NH2 2.96Å
158	A	94.8	Very high	94.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-75.3	-28.7	179.7	0	0	0	0	0	113	F147 Y152 N154 L155 Y160 R161 G164 I165	F147-A158 HydrophobicContact CB-CB 3.73Å; F147-A158 HydrophobicContact CD2-CB 4.48Å; Y152-A158 HydrophobicContact CD2-CB 3.66Å; Y152-A158 HydrophobicContact CE2-CB 4.5Å; Y152-A158 HydrophobicContact CG-CB 4.02Å; N154-A158 PolarHBondContact O-N 2.76Å; L155-A158 PolarHBondContact O-N 2.91Å; A158-Y160 PolarHBondContact O-N 3.11Å; A158-R161 PolarHBondContact O-N 2.83Å; A158-R161 VanDerWaalsContact O-N 3.16Å; A158-G164 WeakPolarHBondContact CB-O 3.28Å; A158-G164 WeakPolarHBondContact O-CA 3.45Å; A158-I165 HydrophobicContact CB-CD1 3.99Å
159	F	90.2	Very high	94.8	Very high	11 Å²	11	42.3 Å²	42.3	5%	0.048	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.3	-172.7	-91.2	-51.8	0	0	0	115.1	L35 F116 L155 I165 L223 H229 T231	L35-F159 HydrophobicContact CD1-CE2 4.39Å; L35-F159 HydrophobicContact CD2-CD2 3.65Å; L35-F159 HydrophobicContact CD2-CE2 3.38Å; L35-F159 HydrophobicContact CD2-CZ 4.25Å; L35-F159 HydrophobicContact CG-CE2 4.38Å; F116-F159 HydrophobicContact CE1-CZ 4.06Å; F116-F159 HydrophobicContact CZ-CZ 4.34Å; L155-F159 HydrophobicContact CD1-CD2 4.37Å; L155-F159 HydrophobicContact CD1-CE1 4.11Å; L155-F159 HydrophobicContact CD1-CE2 3.92Å; L155-F159 HydrophobicContact CD1-CZ 3.79Å; L155-F159 HydrophobicContact CD2-CE2 3.6Å; L155-F159 HydrophobicContact CD2-CZ 3.74Å; L155-F159 HydrophobicContact CG-CD2 3.96Å; L155-F159 HydrophobicContact CG-CE1 4.49Å; L155-F159 HydrophobicContact CG-CE2 3.41Å; L155-F159 VanDerWaalsContact CG-CE2 3.41Å; L155-F159 HydrophobicContact CG-CZ 3.74Å; L155-F159 WeakPolarHBondContact O-CD2 3.47Å; L155-F159 PolarHBondContact O-N 3.33Å; F159-I165 HydrophobicContact CD1-CD1 3.98Å; F159-I165 HydrophobicContact CD1-CG1 4.12Å; F159-I165 HydrophobicContact CE1-CD1 4.31Å; F159-L223 HydrophobicContact CD1-CD1 3.53Å; F159-L223 HydrophobicContact CD1-CD2 3.95Å; F159-L223 HydrophobicContact CD1-CG 4.33Å; F159-L223 HydrophobicContact CE1-CD1 3.9Å; F159-L223 HydrophobicContact CE1-CD2 3.73Å; F159-L223 HydrophobicContact CE1-CG 4.47Å; F159-L223 HydrophobicContact CG-CD1 4.43Å; F159-H229 VanDerWaalsContact O-CB 3.23Å; F159-H229 WeakPolarHBondContact O-CB 3.42Å; F159-T231 WeakPolarHBondContact O-CG2 3.41Å; F159-T231 PolarHBondContact O-OG1 2.97Å
160	Y	91.1	Very high	95	Very high	110 Å²	110	40.4 Å²	40.4	43%	0.431	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	10.3	-175.2	58	-93	0	0	0	113.2	S156 D157 A158	S156-Y160 WeakPolarHBondContact O-CD1 3.38Å; S156-Y160 WeakPolarHBondContact O-CE1 3.45Å; D157-Y160 PolarHBondContact OD1-OH 2.81Å; A158-Y160 PolarHBondContact O-N 3.11Å
161	R	93.7	Very high	95.1	Very high	97 Å²	97	35 Å²	35	37%	0.366	18%	0.176	S	C	.	.	S	Bend	trans	-115.6	149.8	-177.8	-61.8	-152.8	-117	179.4	-15.3	112.9	Y152 D157 A158 G164 T231	Y152-R161 HydrophobicContact CD1-CB 4.49Å; Y152-R161 HydrophobicContact CE1-CB 3.69Å; Y152-R161 HydrophobicContact CE1-CG 4.18Å; Y152-R161 HydrophobicContact CE2-CB 4.19Å; Y152-R161 VanDerWaalsContact CZ-CB 3.5Å; Y152-R161 WeakPolarHBondContact OH-CB 3.32Å; D157-R161 VanDerWaalsContact CG-CZ 3.44Å; D157-R161 WeakPolarHBondContact O-CG 3.41Å; D157-R161 PolarHBondContact O-NE 2.9Å; D157-R161 IonicContact OD1-CZ 3.03Å; D157-R161 IonicContact OD1-NE 2.87Å; D157-R161 PolarHBondContact OD1-NE 3.31Å; D157-R161 IonicContact OD1-NH2 2.55Å; D157-R161 PolarHBondContact OD1-NH2 3.13Å; D157-R161 IonicContact OD2-CZ 3.19Å; D157-R161 IonicContact OD2-NE 3.6Å; D157-R161 IonicContact OD2-NH2 2.61Å; D157-R161 PolarHBondContact OD2-NH2 2.96Å; A158-R161 PolarHBondContact O-N 2.83Å; A158-R161 VanDerWaalsContact O-N 3.16Å; R161-G164 WeakPolarHBondContact O-CA 3.44Å; R161-G164 PolarHBondContact O-N 3.17Å; R161-G164 VanDerWaalsContact O-N 3.14Å; R161-T231 WeakPolarHBondContact O-CB 3.49Å; R161-T231 VanDerWaalsContact O-CG2 3.22Å; R161-T231 WeakPolarHBondContact O-CG2 3.34Å
162	P	93.8	Very high	95.1	Very high	93 Å²	93	31.4 Å²	31.4	60%	0.604	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	144.5	-177.5	-24.3	34.1	0	0	0	113.2	Y152 G164	Y152-P162 PolarHBondContact OH-O 3.37Å; P162-G164 PolarHBondContact O-N 3.45Å
163	N	94.4	Very high	95.1	Very high	70 Å²	70	33.2 Å²	33.2	37%	0.374	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	17.4	-175.6	-49.9	-50.4	0	0	0	113.9	Y110 Y112 N148 L151	Y110-N163 HydrophobicContact CE2-CB 4.29Å; Y112-N163 WeakPolarHBondContact CE1-O 3.31Å; Y112-N163 PolarHBondContact OH-O 3.42Å; N148-N163 VanDerWaalsContact CB-O 3.3Å; N148-N163 WeakPolarHBondContact CB-O 3.49Å; N148-N163 PolarHBondContact ND2-O 2.91Å; L151-N163 HydrophobicContact CD1-CB 4.44Å
164	G	96.8	Very high	95.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.			trans	-68.2	-41.3	-172.4	0	0	0	0	0	113.2	F147 N148 A158 R161 P162	F147-G164 CarbonylContact C-O 3.25Å; F147-G164 VanDerWaalsContact CA-O 3.27Å; F147-G164 WeakPolarHBondContact CA-O 3.27Å; N148-G164 PolarHBondContact N-O 3.29Å; A158-G164 WeakPolarHBondContact CB-O 3.28Å; A158-G164 WeakPolarHBondContact O-CA 3.45Å; R161-G164 WeakPolarHBondContact O-CA 3.44Å; R161-G164 PolarHBondContact O-N 3.17Å; R161-G164 VanDerWaalsContact O-N 3.14Å; P162-G164 PolarHBondContact O-N 3.45Å
165	I	97.9	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.7	-170.3	-53.3	-62.3	0	0	0	110.7	Y145 S146 F147 L155 A158 F159 T231 V232 T233	Y145-I165 HydrophobicContact CD1-CG2 4.09Å; S146-I165 CarbonylContact O-C 3.49Å; S146-I165 WeakPolarHBondContact O-CA 3.33Å; F147-I165 HydrophobicContact CB-CD1 4.2Å; L155-I165 HydrophobicContact CD1-CD1 3.59Å; A158-I165 HydrophobicContact CB-CD1 3.99Å; F159-I165 HydrophobicContact CD1-CD1 3.98Å; F159-I165 HydrophobicContact CD1-CG1 4.12Å; F159-I165 HydrophobicContact CE1-CD1 4.31Å; I165-T231 PolarHBondContact N-O 2.65Å; I165-T231 VanDerWaalsContact N-O 3.08Å; I165-V232 HydrophobicContact CB-CB 4.43Å; I165-V232 HydrophobicContact CB-CG2 3.98Å; I165-V232 HydrophobicContact CG2-CB 4.46Å; I165-V232 HydrophobicContact CG2-CG1 4.11Å; I165-V232 HydrophobicContact CG2-CG2 4Å; I165-V232 WeakPolarHBondContact O-CA 3.39Å; I165-T233 PolarHBondContact O-N 3.5Å
166	L	97.8	Very high	95.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.8	166.4	-171.8	69.7	0	0	0	107.6	L103 P107 Y112 S146 T233 I235	L103-L166 HydrophobicContact CB-CD2 4.48Å; P107-L166 HydrophobicContact CG-CD1 3.93Å; Y112-L166 HydrophobicContact CD1-CB 3.31Å; Y112-L166 HydrophobicContact CD1-CD2 4.47Å; Y112-L166 HydrophobicContact CD2-CB 4.02Å; Y112-L166 HydrophobicContact CD2-CD2 3.7Å; Y112-L166 HydrophobicContact CD2-CG 4.46Å; Y112-L166 HydrophobicContact CE1-CB 3.53Å; Y112-L166 HydrophobicContact CE2-CB 4.19Å; Y112-L166 HydrophobicContact CE2-CD2 4.14Å; Y112-L166 HydrophobicContact CG-CB 3.61Å; Y112-L166 HydrophobicContact CG-CD2 3.9Å; Y112-L166 HydrophobicContact CG-CG 4.41Å; S146-L166 WeakPolarHBondContact CB-O 3.15Å; S146-L166 PolarHBondContact N-O 3.21Å; S146-L166 PolarHBondContact O-N 2.9Å; L166-T233 HydrophobicContact CD1-CG2 3.93Å; L166-I235 HydrophobicContact CD1-CD1 3.45Å; L166-I235 VanDerWaalsContact CD1-CD1 3.45Å; L166-I235 HydrophobicContact CD1-CG1 4.22Å; L166-I235 HydrophobicContact CD2-CD1 3.86Å; L166-I235 HydrophobicContact CG-CD1 3.65Å
167	A	97.9	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.5	-176.5	0	0	0	0	0	111.2	I144 Y145 V232 T233 W234 I235	I144-A167 CarbonylContact O-C 3.43Å; I144-A167 VanDerWaalsContact O-CA 3.25Å; I144-A167 WeakPolarHBondContact O-CA 3.4Å; Y145-A167 HydrophobicContact CD1-CB 4.07Å; Y145-A167 HydrophobicContact CE1-CB 4.11Å; A167-V232 HydrophobicContact CB-CG1 3.57Å; A167-T233 PolarHBondContact N-O 2.94Å; A167-W234 HydrophobicContact CB-CD2 3.94Å; A167-W234 HydrophobicContact CB-CE3 3.6Å; A167-W234 HydrophobicContact CB-CH2 4.03Å; A167-W234 HydrophobicContact CB-CZ2 4.33Å; A167-W234 HydrophobicContact CB-CZ3 3.64Å; A167-W234 CarbonylContact O-C 3.48Å; A167-W234 WeakPolarHBondContact O-CA 3.44Å; A167-I235 PolarHBondContact O-N 2.89Å
168	I	97.8	Very high	95.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.3	171.7	-61.1	178.4	0	0	0	108.9	M72 I74 L103 Q143 I144 V170 L210 I235 L237	M72-I168 HydrophobicContact CE-CD1 3.99Å; M72-I168 HydrophobicContact SD-CD1 4Å; M72-I168 HydrophobicContact SD-CG1 4.4Å; I74-I168 HydrophobicContact CD1-CD1 3.97Å; L103-I168 HydrophobicContact CD2-CD1 3.26Å; L103-I168 HydrophobicContact CD2-CG1 4.18Å; Q143-I168 CarbonylContact C-O 3.55Å; Q143-I168 VanDerWaalsContact CA-O 3.32Å; Q143-I168 WeakPolarHBondContact CA-O 3.28Å; I144-I168 HydrophobicContact CB-CB 4.25Å; I144-I168 PolarHBondContact N-O 3.09Å; I144-I168 PolarHBondContact O-N 2.82Å; I168-V170 HydrophobicContact CG2-CG2 4.08Å; I168-L210 HydrophobicContact CG2-CD2 4.3Å; I168-I235 CarbonylContact C-O 3.55Å; I168-I235 VanDerWaalsContact CA-O 3.31Å; I168-I235 WeakPolarHBondContact CA-O 3.36Å; I168-I235 HydrophobicContact CG1-CB 4.26Å; I168-I235 HydrophobicContact CG1-CD1 4.19Å; I168-L237 HydrophobicContact CG2-CD1 4.28Å; I168-L237 HydrophobicContact CG2-CD2 4.23Å; I168-L237 HydrophobicContact CG2-CG 3.92Å
169	S	97.9	Very high	95.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.2	172.1	179.4	0	0	0	0	110.4	E141 L142 I235 I236 L237	E141-S169 WeakPolarHBondContact CG-OG 3.29Å; E141-S169 PolarHBondContact OE1-OG 2.92Å; L142-S169 CarbonylContact O-C 3.5Å; L142-S169 WeakPolarHBondContact O-CA 3.47Å; S169-I235 PolarHBondContact N-O 2.81Å; S169-I236 VanDerWaalsContact CB-CD1 3.43Å; S169-L237 PolarHBondContact O-N 3.34Å
170	V	97.6	Very high	95.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.4	176.6	-168.2	0	0	0	0	108.9	E141 L142 I168 L210 L237 I241	E141-V170 WeakPolarHBondContact CA-O 3.48Å; L142-V170 HydrophobicContact CB-CB 4.35Å; L142-V170 PolarHBondContact N-O 3.22Å; L142-V170 PolarHBondContact O-N 3.29Å; I168-V170 HydrophobicContact CG2-CG2 4.08Å; V170-L210 HydrophobicContact CG2-CD2 3.97Å; V170-L237 HydrophobicContact CG2-CD1 3.69Å; V170-L237 HydrophobicContact CG2-CG 4.08Å; V170-I241 HydrophobicContact CG1-CB 4.21Å; V170-I241 HydrophobicContact CG1-CG2 4.09Å
171	F	97.8	Very high	96	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.6	177.5	-64.7	-60.1	0	0	0	112.3	H131 I133 F138 E141 I236 P240 I241 Y301	H131-F171 HydrophobicContact CB-CE1 3.67Å; H131-F171 HydrophobicContact CB-CZ 3.58Å; H131-F171 WeakPolarHBondContact O-CE1 3.39Å; I133-F171 HydrophobicContact CD1-CE2 3.87Å; I133-F171 HydrophobicContact CD1-CZ 4.14Å; I133-F171 HydrophobicContact CG1-CE2 3.81Å; I133-F171 HydrophobicContact CG1-CZ 4.16Å; F138-F171 HydrophobicContact CB-CB 4.14Å; F138-F171 HydrophobicContact CB-CD1 4.06Å; F138-F171 HydrophobicContact CB-CG 4.38Å; F138-F171 HydrophobicContact CD1-CB 3.89Å; F138-F171 HydrophobicContact CD1-CG 4.39Å; F138-F171 HydrophobicContact CD2-CB 3.99Å; F138-F171 AromaticContact CD2-CD1 3.5Å; F138-F171 HydrophobicContact CD2-CD1 3.5Å; F138-F171 HydrophobicContact CD2-CD2 4.09Å; F138-F171 AromaticContact CD2-CE1 3.93Å; F138-F171 HydrophobicContact CD2-CE1 3.93Å; F138-F171 HydrophobicContact CD2-CE2 4.46Å; F138-F171 AromaticContact CD2-CG 3.59Å; F138-F171 HydrophobicContact CD2-CG 3.59Å; F138-F171 HydrophobicContact CD2-CZ 4.39Å; F138-F171 HydrophobicContact CE1-CB 4.38Å; F138-F171 HydrophobicContact CE2-CB 4.48Å; F138-F171 HydrophobicContact CE2-CD1 4.26Å; F138-F171 HydrophobicContact CE2-CD2 4.05Å; F138-F171 HydrophobicContact CE2-CE2 4.32Å; F138-F171 HydrophobicContact CE2-CG 4.01Å; F138-F171 HydrophobicContact CG-CB 3.7Å; F138-F171 AromaticContact CG-CD1 3.88Å; F138-F171 HydrophobicContact CG-CD1 3.88Å; F138-F171 AromaticContact CG-CG 3.84Å; F138-F171 HydrophobicContact CG-CG 3.84Å; E141-F171 HydrophobicContact CG-CD1 4.34Å; F171-I236 HydrophobicContact CD2-CG2 4.3Å; F171-I236 HydrophobicContact CE2-CG2 3.46Å; F171-I236 VanDerWaalsContact CE2-CG2 3.46Å; F171-I236 HydrophobicContact CZ-CG2 3.89Å; F171-P240 HydrophobicContact CB-CB 4.1Å; F171-P240 CarbonylContact O-C 3.47Å; F171-P240 WeakPolarHBondContact O-CA 3.35Å; F171-P240 WeakPolarHBondContact O-CB 3.32Å; F171-I241 PolarHBondContact O-N 3.27Å; F171-Y301 HydrophobicContact CD2-CE1 4.21Å
172	F	97.3	Very high	96.1	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128	169.4	-66.8	-5	0	0	0	110.1	I119 F138 P139 G140 L142 L182 I241 I243	I119-F172 HydrophobicContact CD1-CZ 4.28Å; I119-F172 HydrophobicContact CG1-CZ 4.38Å; I119-F172 HydrophobicContact CG2-CE2 3.68Å; I119-F172 HydrophobicContact CG2-CZ 3.98Å; F138-F172 WeakPolarHBondContact CB-O 3.45Å; F138-F172 WeakPolarHBondContact CD1-O 3.24Å; P139-F172 VanDerWaalsContact CD-O 3.28Å; P139-F172 WeakPolarHBondContact CD-O 3.32Å; G140-F172 WeakPolarHBondContact O-CB 3.36Å; G140-F172 PolarHBondContact O-N 2.9Å; L142-F172 HydrophobicContact CB-CE1 3.74Å; L142-F172 HydrophobicContact CB-CZ 4.09Å; F172-L182 HydrophobicContact CE1-CD1 4.39Å; F172-L182 HydrophobicContact CZ-CD1 3.98Å; F172-I241 CarbonylContact C-O 3.6Å; F172-I241 WeakPolarHBondContact CA-O 3.33Å; F172-I241 HydrophobicContact CD1-CG2 3.2Å; F172-I241 HydrophobicContact CE1-CG2 3.48Å; F172-I241 VanDerWaalsContact CE1-CG2 3.48Å; F172-I241 HydrophobicContact CG-CG2 4.3Å; F172-I243 HydrophobicContact CB-CG2 3.86Å; F172-I243 HydrophobicContact CD2-CD1 3.84Å; F172-I243 HydrophobicContact CE2-CD1 4.12Å; F172-I243 HydrophobicContact CG-CG2 4.48Å
173	K	96.2	Very high	96.3	Very high	63 Å²	63	37.8 Å²	37.8	27%	0.274	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.5	175.5	-178	173.1	178.3	178.3	0	110.2	G175 P240 I241 M242 I243	K173-G175 PolarHBondContact O-N 3.45Å; K173-P240 HydrophobicContact CB-CB 3.72Å; K173-P240 HydrophobicContact CB-CG 3.73Å; K173-P240 HydrophobicContact CD-CG 3.7Å; K173-P240 HydrophobicContact CG-CG 4.38Å; K173-I241 PolarHBondContact N-O 2.76Å; K173-M242 HydrophobicContact CB-CE 4.37Å; K173-M242 HydrophobicContact CB-SD 4.01Å; K173-M242 HydrophobicContact CD-CE 4.45Å; K173-M242 HydrophobicContact CD-SD 4.17Å; K173-M242 HydrophobicContact CG-CE 4.1Å; K173-M242 HydrophobicContact CG-SD 4.15Å; K173-M242 CarbonylContact O-C 3.41Å; K173-M242 WeakPolarHBondContact O-CA 3.24Å; K173-I243 PolarHBondContact O-N 3.04Å
174	L	96.9	Very high	96.4	Very high	81 Å²	81	35.5 Å²	35.5	42%	0.424	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	128.8	178	-170.2	67.9	0	0	0	110.5	M242 I243 E245 L248	L174-M242 VanDerWaalsContact O-CE 3.28Å; L174-M242 WeakPolarHBondContact O-CE 3.42Å; L174-I243 CarbonylContact C-O 3.59Å; L174-I243 WeakPolarHBondContact CA-O 3.13Å; L174-E245 HydrophobicContact CD1-CB 4.07Å; L174-L248 HydrophobicContact CD1-CD1 4Å
175	G	95.4	Very high	96.4	Very high	14 Å²	14	35.5 Å²	35.5	14%	0.144	20%	0.2	C	C	.	.			trans	-146.7	173.6	179.2	0	0	0	0	0	113.1	K173 I243	K173-G175 PolarHBondContact O-N 3.45Å; G175-I243 PolarHBondContact N-O 3.41Å
176	N	95	Very high	96.5	Very high	178 Å²	178	35.8 Å²	35.8	95%	0.952	20%	0.201	S	C	*	.	S	Bend	trans	-84.6	-15.5	178.3	-65.3	-19.2	0	0	0	113
177	A	93.2	Very high	96.5	Very high	70 Å²	70	37.9 Å²	37.9	58%	0.579	22%	0.219	S	C	*	.			trans	-142.8	149	179.4	0	0	0	0	0	110	M242	A177-M242 VanDerWaalsContact O-CB 3.26Å; A177-M242 WeakPolarHBondContact O-CB 3.43Å
178	T	94.4	Very high	96.5	Very high	42 Å²	42	38 Å²	38	26%	0.258	22%	0.22	S	C	.	.			trans	-115.2	171.4	176.2	-172.9	0	0	0	0	108.9	L183 M242 E247	T178-L183 HydrophobicContact CG2-CB 4.03Å; T178-M242 PolarHBondContact OG1-O 3.31Å; T178-E247 VanDerWaalsContact CB-OE1 3.3Å; T178-E247 WeakPolarHBondContact CB-OE1 3.29Å; T178-E247 WeakPolarHBondContact CB-OE2 3.18Å; T178-E247 VanDerWaalsContact CG2-OE1 3.23Å; T178-E247 WeakPolarHBondContact CG2-OE1 3.1Å; T178-E247 WeakPolarHBondContact CG2-OE2 3.06Å; T178-E247 PolarHBondContact OG1-OE1 3.37Å; T178-E247 PolarHBondContact OG1-OE2 2.88Å
179	N	93.6	Very high	96.5	Very high	38 Å²	38	38 Å²	38	20%	0.203	22%	0.22	C	C	.	.			trans	-91	160.6	169.6	71.1	84.8	0	0	0	111	D181 L182 L183 S208 I241	N179-D181 VanDerWaalsContact C-N 3.27Å; N179-D181 PolarHBondContact O-N 2.85Å; N179-D181 PolarHBondContact OD1-N 3.39Å; N179-L182 WeakPolarHBondContact ND2-CB 3.03Å; N179-L182 PolarHBondContact O-N 3.3Å; N179-L182 PolarHBondContact OD1-N 3.25Å; N179-L183 PolarHBondContact O-N 3.26Å; N179-L183 VanDerWaalsContact O-N 3.11Å; N179-S208 PolarHBondContact ND2-O 3.11Å; N179-I241 WeakPolarHBondContact ND2-CD1 3.39Å; N179-I241 WeakPolarHBondContact ND2-CG1 3.25Å
180	K	94.6	Very high	96.5	Very high	130 Å²	130	41.6 Å²	41.6	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-57.5	-36.9	-176.1	68.9	179.6	-175.8	173.2	0	113.1	G184 E205	K180-G184 PolarHBondContact O-N 3.48Å; K180-E205 IonicContact NZ-OE1 2.76Å; K180-E205 IonicContact NZ-OE2 3.49Å; K180-E205 PolarHBondContact NZ-OE2 3.27Å
181	D	95.2	Very high	96.5	Very high	10 Å²	10	47 Å²	47	5%	0.053	26%	0.262	C	S	.	.	H	α-helix	trans	-81.3	-40.2	-171.6	-67.8	-63.9	0	0	0	111	N179 L183 G184 V185 L204 E205 S208 L209	N179-D181 VanDerWaalsContact C-N 3.27Å; N179-D181 PolarHBondContact O-N 2.85Å; N179-D181 PolarHBondContact OD1-N 3.39Å; D181-L183 VanDerWaalsContact C-N 3.31Å; D181-L183 PolarHBondContact O-N 2.89Å; D181-G184 WeakPolarHBondContact O-CA 3.47Å; D181-G184 PolarHBondContact O-N 3.14Å; D181-G184 VanDerWaalsContact O-N 3.14Å; D181-V185 WeakPolarHBondContact O-CG2 3.38Å; D181-V185 PolarHBondContact O-N 2.87Å; D181-L204 HydrophobicContact CB-CD1 4.04Å; D181-L204 HydrophobicContact CB-CG 3.91Å; D181-E205 PolarHBondContact OD1-N 3.43Å; D181-S208 WeakPolarHBondContact OD2-CB 3.4Å; D181-S208 PolarHBondContact OD2-OG 2.88Å; D181-L209 HydrophobicContact CB-CD2 4.14Å; D181-L209 HydrophobicContact CB-CG 4.43Å
182	L	97	Very high	96.5	Very high	3 Å²	3	47 Å²	47	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-42.3	170.9	-179.5	60.6	0	0	0	111	F172 N179 G184 V185 V186 L209 I241 M242 I243	F172-L182 HydrophobicContact CE1-CD1 4.39Å; F172-L182 HydrophobicContact CZ-CD1 3.98Å; N179-L182 WeakPolarHBondContact ND2-CB 3.03Å; N179-L182 PolarHBondContact O-N 3.3Å; N179-L182 PolarHBondContact OD1-N 3.25Å; L182-G184 VanDerWaalsContact C-N 3.28Å; L182-G184 PolarHBondContact O-N 3.45Å; L182-V185 PolarHBondContact O-N 3.42Å; L182-V186 HydrophobicContact CD1-CG2 4.44Å; L182-V186 WeakPolarHBondContact O-CG2 3.46Å; L182-V186 PolarHBondContact O-N 2.81Å; L182-L209 HydrophobicContact CB-CD2 3.96Å; L182-I241 HydrophobicContact CB-CD1 4.19Å; L182-I241 HydrophobicContact CD2-CD1 4.05Å; L182-I241 HydrophobicContact CD2-CG1 4.13Å; L182-I241 HydrophobicContact CD2-CG2 4.4Å; L182-M242 WeakPolarHBondContact CD2-O 3.31Å; L182-I243 HydrophobicContact CD2-CB 4.06Å; L182-I243 HydrophobicContact CD2-CD1 4.32Å; L182-I243 HydrophobicContact CD2-CG1 4.14Å
183	L	97	Very high	96.5	Very high	90 Å²	90	49.8 Å²	49.8	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-42.5	173.2	179.1	62.8	0	0	0	111.5	T178 N179 D181 V186 A187 E247	T178-L183 HydrophobicContact CG2-CB 4.03Å; N179-L183 PolarHBondContact O-N 3.26Å; N179-L183 VanDerWaalsContact O-N 3.11Å; D181-L183 VanDerWaalsContact C-N 3.31Å; D181-L183 PolarHBondContact O-N 2.89Å; L183-V186 PolarHBondContact O-N 3.47Å; L183-A187 WeakPolarHBondContact O-CB 3.24Å; L183-A187 PolarHBondContact O-N 2.87Å; L183-E247 HydrophobicContact CD1-CG 4.3Å
184	G	97.2	Very high	96.6	Very high	22 Å²	22	49.3 Å²	49.3	23%	0.227	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-41.5	175.3	0	0	0	0	0	113.1	K180 D181 L182 A187 A188	K180-G184 PolarHBondContact O-N 3.48Å; D181-G184 WeakPolarHBondContact O-CA 3.47Å; D181-G184 PolarHBondContact O-N 3.14Å; D181-G184 VanDerWaalsContact O-N 3.14Å; L182-G184 VanDerWaalsContact C-N 3.28Å; L182-G184 PolarHBondContact O-N 3.45Å; G184-A187 PolarHBondContact O-N 2.93Å; G184-A188 WeakPolarHBondContact O-CB 3.26Å; G184-A188 PolarHBondContact O-N 2.96Å
185	V	97.7	Very high	96.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-44.7	174.5	173.8	0	0	0	0	111.4	I94 I119 D181 L182 A187 A188 A189 L201 L204 L209	I94-V185 HydrophobicContact CD1-CG1 3.55Å; I94-V185 HydrophobicContact CD1-CG2 4.26Å; I119-V185 HydrophobicContact CD1-CG1 3.55Å; D181-V185 WeakPolarHBondContact O-CG2 3.38Å; D181-V185 PolarHBondContact O-N 2.87Å; L182-V185 PolarHBondContact O-N 3.42Å; V185-A187 VanDerWaalsContact C-N 3.35Å; V185-A188 PolarHBondContact O-N 2.94Å; V185-A189 WeakPolarHBondContact O-CB 3.48Å; V185-A189 PolarHBondContact O-N 2.8Å; V185-L201 HydrophobicContact CG2-CD2 4.1Å; V185-L204 HydrophobicContact CG2-CD1 3.36Å; V185-L209 HydrophobicContact CG2-CD1 4.38Å
186	V	98.1	Very high	96.8	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-40.3	178.6	174.6	0	0	0	0	111.1	L182 L183 A189 E190 E247 T250 L251	L182-V186 HydrophobicContact CD1-CG2 4.44Å; L182-V186 WeakPolarHBondContact O-CG2 3.46Å; L182-V186 PolarHBondContact O-N 2.81Å; L183-V186 PolarHBondContact O-N 3.47Å; V186-A189 PolarHBondContact O-N 2.81Å; V186-E190 PolarHBondContact O-N 2.78Å; V186-E247 HydrophobicContact CB-CG 4.36Å; V186-E247 HydrophobicContact CG1-CB 3.99Å; V186-E247 HydrophobicContact CG1-CG 4.09Å; V186-E247 HydrophobicContact CG2-CB 4.1Å; V186-E247 HydrophobicContact CG2-CG 4.24Å; V186-T250 HydrophobicContact CG1-CG2 3.86Å; V186-L251 HydrophobicContact CG1-CD2 4.36Å; V186-L251 HydrophobicContact CG1-CG 4.41Å; V186-L251 HydrophobicContact CG2-CD1 4.4Å; V186-L251 HydrophobicContact CG2-CD2 4.25Å; V186-L251 HydrophobicContact CG2-CG 4.38Å
187	A	98.1	Very high	96.9	Very high	47 Å²	47	46.3 Å²	46.3	39%	0.388	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-40.9	175.3	0	0	0	0	0	111.9	L183 G184 V185 E190 Q191	L183-A187 WeakPolarHBondContact O-CB 3.24Å; L183-A187 PolarHBondContact O-N 2.87Å; G184-A187 PolarHBondContact O-N 2.93Å; V185-A187 VanDerWaalsContact C-N 3.35Å; A187-E190 WeakPolarHBondContact O-CB 3.45Å; A187-E190 PolarHBondContact O-N 3.38Å; A187-Q191 PolarHBondContact O-N 2.85Å
188	A	98.2	Very high	97.2	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-41.1	173.3	0	0	0	0	0	111.8	V85 G184 V185 E190 Q191 F199 L201	V85-A188 HydrophobicContact CB-CB 4.08Å; V85-A188 HydrophobicContact CG1-CB 4.3Å; V85-A188 HydrophobicContact CG2-CB 3.75Å; G184-A188 WeakPolarHBondContact O-CB 3.26Å; G184-A188 PolarHBondContact O-N 2.96Å; V185-A188 PolarHBondContact O-N 2.94Å; A188-E190 VanDerWaalsContact C-N 3.3Å; A188-E190 PolarHBondContact O-N 2.93Å; A188-Q191 WeakPolarHBondContact O-CB 3.4Å; A188-Q191 PolarHBondContact O-N 3.17Å; A188-Q191 VanDerWaalsContact O-N 3.08Å; A188-F199 HydrophobicContact CB-CD1 3.56Å; A188-F199 HydrophobicContact CB-CE1 4.11Å; A188-F199 HydrophobicContact CB-CG 4.35Å; A188-L201 HydrophobicContact CB-CB 4.25Å; A188-L201 HydrophobicContact CB-CD1 4.41Å; A188-L201 HydrophobicContact CB-CD2 4.19Å
189	A	98.1	Very high	97.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-35.5	174.9	0	0	0	0	0	112.1	V85 I92 V185 V186 Q191 T192 L251 L254	V85-A189 HydrophobicContact CG1-CB 4.48Å; I92-A189 HydrophobicContact CD1-CB 3.75Å; I92-A189 HydrophobicContact CG1-CB 4.49Å; V185-A189 WeakPolarHBondContact O-CB 3.48Å; V185-A189 PolarHBondContact O-N 2.8Å; V186-A189 PolarHBondContact O-N 2.81Å; A189-Q191 PolarHBondContact O-N 3.07Å; A189-T192 CarbonylContact O-C 3.57Å; A189-T192 PolarHBondContact O-N 2.99Å; A189-T192 PolarHBondContact O-OG1 2.94Å; A189-T192 VanDerWaalsContact O-OG1 3.14Å; A189-L251 HydrophobicContact CB-CD2 4Å; A189-L254 HydrophobicContact CB-CD1 4.23Å; A189-L254 WeakPolarHBondContact O-CD2 3.46Å
190	E	97.6	Very high	97.5	Very high	77 Å²	77	51.6 Å²	51.6	36%	0.36	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-24.6	173.6	-168.4	166.9	-145.3	0	0	112.9	V186 A187 A188 T192 I193 T250 R253	V186-E190 PolarHBondContact O-N 2.78Å; A187-E190 WeakPolarHBondContact O-CB 3.45Å; A187-E190 PolarHBondContact O-N 3.38Å; A188-E190 VanDerWaalsContact C-N 3.3Å; A188-E190 PolarHBondContact O-N 2.93Å; E190-T192 VanDerWaalsContact C-N 3.3Å; E190-I193 VanDerWaalsContact O-CG1 3.26Å; E190-I193 WeakPolarHBondContact O-CG1 3.37Å; E190-T250 HydrophobicContact CB-CG2 3.61Å; E190-T250 HydrophobicContact CG-CG2 3.78Å; E190-R253 IonicContact OE1-NH1 2.83Å; E190-R253 PolarHBondContact OE1-NH1 3.08Å
191	Q	98.3	Very high	97.6	Very high	113 Å²	113	46.5 Å²	46.5	53%	0.528	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.5	173.7	-55.7	-57.6	-65.6	0	0	113.4	A187 A188 A189 F199	A187-Q191 PolarHBondContact O-N 2.85Å; A188-Q191 WeakPolarHBondContact O-CB 3.4Å; A188-Q191 PolarHBondContact O-N 3.17Å; A188-Q191 VanDerWaalsContact O-N 3.08Å; A189-Q191 PolarHBondContact O-N 3.07Å; Q191-F199 HydrophobicContact CB-CB 4.22Å; Q191-F199 HydrophobicContact CB-CD2 3.44Å; Q191-F199 VanDerWaalsContact CB-CD2 3.44Å; Q191-F199 HydrophobicContact CB-CE2 3.97Å; Q191-F199 HydrophobicContact CB-CG 3.93Å; Q191-F199 HydrophobicContact CG-CD2 3.71Å; Q191-F199 HydrophobicContact CG-CE2 3.7Å; Q191-F199 HydrophobicContact CG-CG 4.33Å; Q191-F199 HydrophobicContact CG-CZ 4.3Å
192	T	98	Very high	97.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.			trans	-122.8	55.5	-179.2	61	0	0	0	0	111.1	N87 A189 E190 F194 E197 T198 F199	N87-T192 WeakPolarHBondContact CB-O 3.42Å; N87-T192 PolarHBondContact ND2-O 2.94Å; A189-T192 CarbonylContact O-C 3.57Å; A189-T192 PolarHBondContact O-N 2.99Å; A189-T192 PolarHBondContact O-OG1 2.94Å; A189-T192 VanDerWaalsContact O-OG1 3.14Å; E190-T192 VanDerWaalsContact C-N 3.3Å; T192-F194 VanDerWaalsContact C-N 3.29Å; T192-F194 PolarHBondContact O-N 3.45Å; T192-E197 VanDerWaalsContact C-OE2 3.32Å; T192-E197 HydrophobicContact CG2-CB 4.15Å; T192-T198 VanDerWaalsContact CG2-C 3.46Å; T192-F199 HydrophobicContact CG2-CB 3.67Å
193	I	97.8	Very high	97.3	Very high	59 Å²	59	53.1 Å²	53.1	30%	0.303	29%	0.29	S	S	.	.			trans	-61.4	-39.3	-174.4	-59.4	-179.7	0	0	0	111.7	N87 E190 E197 R255	N87-I193 VanDerWaalsContact ND2-C 3.35Å; N87-I193 PolarHBondContact ND2-O 2.79Å; E190-I193 VanDerWaalsContact O-CG1 3.26Å; E190-I193 WeakPolarHBondContact O-CG1 3.37Å; I193-E197 PolarHBondContact N-OE2 3.28Å; I193-R255 HydrophobicContact CG2-CG 4.1Å; I193-R255 WeakPolarHBondContact O-CB 3.28Å; I193-R255 PolarHBondContact O-N 2.79Å
194	F	98.1	Very high	97.1	Very high	53 Å²	53	49 Å²	49	23%	0.232	27%	0.269	C	S	.	.	S	Bend	trans	-105.1	152.7	-173.1	-57.7	-63.3	0	0	0	112.4	N87 T192 G196 E197 R255 T259 L260	N87-F194 WeakPolarHBondContact CB-O 3.45Å; T192-F194 VanDerWaalsContact C-N 3.29Å; T192-F194 PolarHBondContact O-N 3.45Å; F194-G196 PolarHBondContact O-N 2.86Å; F194-E197 HydrophobicContact CB-CG 4.19Å; F194-E197 PolarHBondContact N-OE2 3.45Å; F194-E197 WeakPolarHBondContact O-CB 3.45Å; F194-E197 WeakPolarHBondContact O-CG 3.46Å; F194-E197 PolarHBondContact O-N 2.76Å; F194-E197 VanDerWaalsContact O-N 3.12Å; F194-R255 HydrophobicContact CD1-CB 4.02Å; F194-R255 HydrophobicContact CD1-CG 4.1Å; F194-R255 HydrophobicContact CE1-CB 4.49Å; F194-R255 HydrophobicContact CE1-CG 4.08Å; F194-T259 VanDerWaalsContact CE1-C 3.44Å; F194-L260 HydrophobicContact CE1-CB 4.29Å; F194-L260 HydrophobicContact CZ-CB 4.48Å
195	K	97.9	Very high	96.9	Very high	90 Å²	90	49.8 Å²	49.8	39%	0.391	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	134.8	176.9	-179.8	178	-179.8	178.1	0	111.7	N87 C88 E197 V256 A257 H258	N87-K195 CarbonylContact O-C 3.59Å; N87-K195 WeakPolarHBondContact O-CA 3.27Å; N87-K195 WeakPolarHBondContact OD1-CA 3.36Å; C88-K195 WeakPolarHBondContact O-CE 3.46Å; K195-E197 VanDerWaalsContact C-N 3.26Å; K195-E197 PolarHBondContact O-N 3.48Å; K195-V256 WeakPolarHBondContact CD-O 3.13Å; K195-A257 PolarHBondContact N-O 3.16Å; K195-H258 PolarHBondContact O-CE1 2.85Å; K195-H258 PolarHBondContact O-ND1 2.77Å
196	G	96.9	Very high	96.7	Very high	48 Å²	48	49.8 Å²	49.8	50%	0.495	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-4.5	179.2	0	0	0	0	0	114.2	N87 F194	N87-G196 PolarHBondContact O-N 3.25Å; F194-G196 PolarHBondContact O-N 2.86Å
197	E	98.3	Very high	96.5	Very high	72 Å²	72	55 Å²	55	34%	0.336	29%	0.285	S	S	.	.			trans	-72.8	141.9	170.7	-66.5	-176.7	149.6	0	0	110.4	E86 N87 T192 I193 F194 K195	E86-E197 WeakPolarHBondContact CA-O 3.43Å; N87-E197 PolarHBondContact N-O 3.32Å; T192-E197 VanDerWaalsContact C-OE2 3.32Å; T192-E197 HydrophobicContact CG2-CB 4.15Å; I193-E197 PolarHBondContact N-OE2 3.28Å; F194-E197 HydrophobicContact CB-CG 4.19Å; F194-E197 PolarHBondContact N-OE2 3.45Å; F194-E197 WeakPolarHBondContact O-CB 3.45Å; F194-E197 WeakPolarHBondContact O-CG 3.46Å; F194-E197 PolarHBondContact O-N 2.76Å; F194-E197 VanDerWaalsContact O-N 3.12Å; K195-E197 VanDerWaalsContact C-N 3.26Å; K195-E197 PolarHBondContact O-N 3.48Å
198	T	98.2	Very high	96.1	Very high	82 Å²	82	54.4 Å²	54.4	50%	0.503	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.9	-179.9	54.7	0	0	0	0	110.1	I84 V85 E86 T192	I84-T198 HydrophobicContact CG2-CG2 4.13Å; V85-T198 CarbonylContact O-C 3.46Å; V85-T198 VanDerWaalsContact O-CA 3.27Å; V85-T198 WeakPolarHBondContact O-CA 3.32Å; E86-T198 HydrophobicContact CB-CG2 3.95Å; E86-T198 HydrophobicContact CG-CG2 3.77Å; T192-T198 VanDerWaalsContact CG2-C 3.46Å
199	F	98.2	Very high	95.9	Very high	76 Å²	76	54.4 Å²	54.4	33%	0.333	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.6	175.1	-173.3	-90.9	0	0	0	109.9	V85 A188 Q191 T192 L201	V85-F199 PolarHBondContact N-O 2.91Å; V85-F199 PolarHBondContact O-N 2.73Å; A188-F199 HydrophobicContact CB-CD1 3.56Å; A188-F199 HydrophobicContact CB-CE1 4.11Å; A188-F199 HydrophobicContact CB-CG 4.35Å; Q191-F199 HydrophobicContact CB-CB 4.22Å; Q191-F199 HydrophobicContact CB-CD2 3.44Å; Q191-F199 VanDerWaalsContact CB-CD2 3.44Å; Q191-F199 HydrophobicContact CB-CE2 3.97Å; Q191-F199 HydrophobicContact CB-CG 3.93Å; Q191-F199 HydrophobicContact CG-CD2 3.71Å; Q191-F199 HydrophobicContact CG-CE2 3.7Å; Q191-F199 HydrophobicContact CG-CG 4.33Å; Q191-F199 HydrophobicContact CG-CZ 4.3Å; T192-F199 HydrophobicContact CG2-CB 3.67Å; F199-L201 HydrophobicContact CD1-CB 4.5Å; F199-L201 PolarHBondContact O-N 3.36Å
200	Q	97.3	Very high	95.7	Very high	103 Å²	103	54.7 Å²	54.7	48%	0.481	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.3	176.3	-169.6	176.9	11.5	0	0	109.8	L83 K202	L83-Q200 CarbonylContact O-C 3.57Å; L83-Q200 WeakPolarHBondContact O-CA 3.11Å; Q200-K202 HydrophobicContact CG-CG 4.45Å
201	L	95.7	Very high	95.1	Very high	24 Å²	24	52.7 Å²	52.7	13%	0.126	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.2	175.9	180	62.8	0	0	0	109.3	L83 V85 V185 A188 F199 L204	L83-L201 HydrophobicContact CB-CB 4.46Å; L83-L201 PolarHBondContact N-O 3.13Å; L83-L201 PolarHBondContact O-N 2.8Å; V85-L201 HydrophobicContact CG2-CB 4.19Å; V85-L201 HydrophobicContact CG2-CD2 4.33Å; V185-L201 HydrophobicContact CG2-CD2 4.1Å; A188-L201 HydrophobicContact CB-CB 4.25Å; A188-L201 HydrophobicContact CB-CD1 4.41Å; A188-L201 HydrophobicContact CB-CD2 4.19Å; F199-L201 HydrophobicContact CD1-CB 4.5Å; F199-L201 PolarHBondContact O-N 3.36Å; L201-L204 HydrophobicContact CD2-CD1 3.76Å
202	K	94.6	Very high	94.6	Very high	118 Å²	118	49 Å²	49	51%	0.513	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.7	-179.1	-59.1	-169.2	176.3	-145.8	0	111.1	L81 E82 Q200	L81-K202 CarbonylContact O-C 3.57Å; E82-K202 HydrophobicContact CG-CB 4.5Å; E82-K202 HydrophobicContact CG-CD 4.3Å; E82-K202 HydrophobicContact CG-CG 4.06Å; E82-K202 WeakPolarHBondContact OE1-CD 3.45Å; E82-K202 VanDerWaalsContact OE1-CE 3.3Å; E82-K202 WeakPolarHBondContact OE1-CE 3.15Å; E82-K202 IonicContact OE1-NZ 2.8Å; E82-K202 PolarHBondContact OE1-NZ 3.18Å; E82-K202 IonicContact OE2-NZ 3.91Å; Q200-K202 HydrophobicContact CG-CG 4.45Å
203	G	92	Very high	94	Very high	34 Å²	34	49.6 Å²	49.6	35%	0.351	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.3	17.4	171.9	0	0	0	0	0	114.4	L81	L81-G203 PolarHBondContact O-N 2.86Å
204	L	93.3	Very high	93.6	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.9	179.4	-173.6	143.9	0	0	0	110.9	L81 L83 D181 V185 L201 L206 L209	L81-L204 PolarHBondContact N-O 2.92Å; L81-L204 PolarHBondContact O-N 3.41Å; L83-L204 HydrophobicContact CD1-CB 3.87Å; L83-L204 HydrophobicContact CD1-CD1 4.07Å; L83-L204 HydrophobicContact CD1-CD2 3.83Å; L83-L204 HydrophobicContact CD1-CG 4.12Å; D181-L204 HydrophobicContact CB-CD1 4.04Å; D181-L204 HydrophobicContact CB-CG 3.91Å; V185-L204 HydrophobicContact CG2-CD1 3.36Å; L201-L204 HydrophobicContact CD2-CD1 3.76Å; L204-L206 HydrophobicContact CD2-CD2 3.94Å; L204-L209 HydrophobicContact CD1-CD1 4.26Å; L204-L209 HydrophobicContact CD2-CD1 3.78Å; L204-L209 HydrophobicContact CD2-CG 4.28Å
205	E	93.4	Very high	93.3	Very high	38 Å²	38	52.9 Å²	52.9	18%	0.178	28%	0.278	C	S	.	.			trans	-98.7	121.5	171.8	-71.9	161.5	-179.7	0	0	109.7	K180 D181 R207 S208	K180-E205 IonicContact NZ-OE1 2.76Å; K180-E205 IonicContact NZ-OE2 3.49Å; K180-E205 PolarHBondContact NZ-OE2 3.27Å; D181-E205 PolarHBondContact OD1-N 3.43Å; E205-R207 PolarHBondContact O-N 2.95Å; E205-S208 PolarHBondContact O-N 3.23Å
206	L	93	Very high	93.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-24.7	177.4	-72.3	-178.4	0	0	0	112.2	L77 L81 V101 I114 M117 L204 S208 L209 L210	L77-L206 HydrophobicContact CD2-CB 3.66Å; L77-L206 PolarHBondContact O-N 2.88Å; L77-L206 VanDerWaalsContact O-N 3.17Å; L81-L206 HydrophobicContact CD1-CD1 3.67Å; L81-L206 HydrophobicContact CD1-CD2 4.19Å; L81-L206 HydrophobicContact CD1-CG 3.51Å; V101-L206 HydrophobicContact CB-CD1 4.32Å; V101-L206 HydrophobicContact CG1-CD1 4.1Å; V101-L206 HydrophobicContact CG2-CD1 3.95Å; I114-L206 HydrophobicContact CD1-CD1 3.84Å; M117-L206 HydrophobicContact CE-CD2 3.68Å; M117-L206 HydrophobicContact SD-CD2 3.62Å; L204-L206 HydrophobicContact CD2-CD2 3.94Å; L206-S208 PolarHBondContact O-N 2.61Å; L206-L209 HydrophobicContact CD2-CD1 4.08Å; L206-L209 PolarHBondContact O-N 3.5Å; L206-L210 PolarHBondContact O-N 3.47Å
207	R	93.2	Very high	93.1	Very high	113 Å²	113	46.6 Å²	46.6	43%	0.426	24%	0.237	S	C	.	.	H	α-helix	trans	-51.5	-38.2	175.7	-179.4	62.2	-177.6	-137.7	5.3	112.4	L77 E78 E205 L209	L77-R207 HydrophobicContact CB-CB 4.08Å; L77-R207 PolarHBondContact O-N 3.25Å; E78-R207 WeakPolarHBondContact OE1-CB 3.45Å; E78-R207 VanDerWaalsContact OE1-CD 3.28Å; E78-R207 WeakPolarHBondContact OE1-CD 3.41Å; E78-R207 WeakPolarHBondContact OE1-CG 3.3Å; E78-R207 IonicContact OE1-NE 3.8Å; E78-R207 IonicContact OE1-NH1 3.98Å; E205-R207 PolarHBondContact O-N 2.95Å; R207-L209 VanDerWaalsContact C-N 3.33Å
208	S	90.4	Very high	93.1	Very high	35 Å²	35	43.1 Å²	43.1	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-76.9	-22	-178.4	-57.9	0	0	0	0	113.2	N179 D181 E205 L206	N179-S208 PolarHBondContact ND2-O 3.11Å; D181-S208 WeakPolarHBondContact OD2-CB 3.4Å; D181-S208 PolarHBondContact OD2-OG 2.88Å; E205-S208 PolarHBondContact O-N 3.23Å; L206-S208 PolarHBondContact O-N 2.61Å
209	L	94.2	Very high	93.1	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-83.4	-25.3	176	-61	-173.9	0	0	0	112.4	L142 D181 L182 V185 L204 L206 R207 I241	L142-L209 HydrophobicContact CD2-CB 4.04Å; L142-L209 HydrophobicContact CD2-CD1 4.49Å; D181-L209 HydrophobicContact CB-CD2 4.14Å; D181-L209 HydrophobicContact CB-CG 4.43Å; L182-L209 HydrophobicContact CB-CD2 3.96Å; V185-L209 HydrophobicContact CG2-CD1 4.38Å; L204-L209 HydrophobicContact CD1-CD1 4.26Å; L204-L209 HydrophobicContact CD2-CD1 3.78Å; L204-L209 HydrophobicContact CD2-CG 4.28Å; L206-L209 HydrophobicContact CD2-CD1 4.08Å; L206-L209 PolarHBondContact O-N 3.5Å; R207-L209 VanDerWaalsContact C-N 3.33Å; L209-I241 HydrophobicContact CD2-CD1 4.12Å
210	L	92.3	Very high	93	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	20%	0.2	C	C	.	.			trans	-94.6	127.6	172.6	-60.5	-175.1	0	0	0	109.6	I74 L77 I144 I168 V170 L206 T213 L237	I74-L210 HydrophobicContact CD1-CD1 3.4Å; I74-L210 VanDerWaalsContact CD1-CD1 3.4Å; L77-L210 HydrophobicContact CD1-CD1 4.25Å; L77-L210 HydrophobicContact CD2-CD1 3.49Å; L77-L210 VanDerWaalsContact CD2-CD1 3.49Å; L77-L210 HydrophobicContact CD2-CG 4.43Å; I144-L210 HydrophobicContact CD1-CD2 3.51Å; I144-L210 HydrophobicContact CD1-CG 4.43Å; I168-L210 HydrophobicContact CG2-CD2 4.3Å; V170-L210 HydrophobicContact CG2-CD2 3.97Å; L206-L210 PolarHBondContact O-N 3.47Å; L210-T213 HydrophobicContact CB-CG2 4.4Å; L210-T213 HydrophobicContact CD1-CG2 4.32Å; L210-L237 HydrophobicContact CD2-CD1 4.19Å
211	T	85.2	Confident	93	Very high	34 Å²	34	35 Å²	35	21%	0.209	18%	0.178	C	C	.	.			trans	-77	-130.4	174.2	56.2	0	0	0	0	109.8	T213 H239 P240 I241	T211-T213 PolarHBondContact O-N 3.24Å; T211-H239 WeakPolarHBondContact CB-O 3.39Å; T211-H239 HydrophobicContact CG2-CB 4.2Å; T211-H239 VanDerWaalsContact CG2-O 3.28Å; T211-H239 WeakPolarHBondContact CG2-O 3.48Å; T211-H239 WeakPolarHBondContact OG1-CB 3.37Å; T211-H239 PolarHBondContact OG1-O 3.33Å; T211-P240 WeakPolarHBondContact CG2-O 3.18Å; T211-I241 HydrophobicContact CG2-CB 4.26Å
212	S	87.7	Confident	93.1	Very high	36 Å²	36	33.8 Å²	33.8	25%	0.252	17%	0.172	S	C	.	.			trans	-78.7	123.3	171.9	-175.1	0	0	0	0	110.3	H214	S212-H214 VanDerWaalsContact C-N 3.27Å; S212-H214 PolarHBondContact OG-N 3.41Å; S212-H214 PolarHBondContact OG-ND1 2.82Å
213	T	86.6	Confident	93.2	Very high	12 Å²	12	28.3 Å²	28.3	7%	0.074	15%	0.148	C	C	.	.	S	Bend	trans	-85.6	1.6	171.4	59	0	0	0	0	113.3	M72 I74 L210 T211	M72-T213 HydrophobicContact CE-CG2 4.36Å; M72-T213 PolarHBondContact N-O 3.24Å; M72-T213 PolarHBondContact O-OG1 3.22Å; I74-T213 HydrophobicContact CD1-CG2 4Å; L210-T213 HydrophobicContact CB-CG2 4.4Å; L210-T213 HydrophobicContact CD1-CG2 4.32Å; T211-T213 PolarHBondContact O-N 3.24Å
214	H	88.9	Confident	93.3	Very high	112 Å²	112	27 Å²	27	52%	0.519	13%	0.133	S	C	.	.	S	Bend	trans	-82.7	-25.8	-178	-59.9	82.7	0	0	0	112.7	S212 N283	S212-H214 VanDerWaalsContact C-N 3.27Å; S212-H214 PolarHBondContact OG-N 3.41Å; S212-H214 PolarHBondContact OG-ND1 2.82Å; H214-N283 PolarHBondContact O-ND2 3.2Å
215	E	92.2	Very high	93.3	Very high	70 Å²	70	28.7 Å²	28.7	33%	0.327	14%	0.141	S	C	.	.	S	Bend	trans	-126	119	-174.2	-73.7	-177.7	157.3	0	0	109.8	N238 H239 N283 I284	E215-N238 HydrophobicContact CB-CB 3.76Å; E215-N238 VanDerWaalsContact O-CB 3.25Å; E215-N238 WeakPolarHBondContact O-CB 3.36Å; E215-N238 PolarHBondContact O-N 3.38Å; E215-N238 PolarHBondContact OE2-ND2 2.88Å; E215-H239 IonicContact OE2-CD2 3.73Å; E215-H239 IonicContact OE2-CE1 2.79Å; E215-H239 IonicContact OE2-NE2 2.72Å; E215-H239 PolarHBondContact OE2-NE2 2.91Å; E215-N283 WeakPolarHBondContact CA-OD1 3.13Å; E215-I284 HydrophobicContact CB-CG1 3.98Å; E215-I284 HydrophobicContact CG-CG1 4.36Å
216	F	95.1	Very high	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.6	-177.7	61.7	-92.1	0	0	0	112.7	L69 S70 M72 T218 I235 I236 L237 T282 N283	L69-F216 HydrophobicContact CB-CZ 4.25Å; L69-F216 HydrophobicContact CD1-CE2 4.26Å; L69-F216 HydrophobicContact CD2-CE2 4.43Å; S70-F216 WeakPolarHBondContact O-CE1 3.28Å; S70-F216 WeakPolarHBondContact O-CZ 3.22Å; M72-F216 HydrophobicContact CE-CD1 4.42Å; M72-F216 HydrophobicContact CG-CE1 4.19Å; F216-T218 HydrophobicContact CE2-CG2 4.17Å; F216-I235 HydrophobicContact CB-CG2 3.78Å; F216-I235 HydrophobicContact CD2-CG2 3.78Å; F216-I235 HydrophobicContact CG-CG2 3.8Å; F216-I236 WeakPolarHBondContact CA-O 3.32Å; F216-I236 WeakPolarHBondContact CB-O 3.25Å; F216-L237 HydrophobicContact CB-CD2 4.28Å; F216-T282 WeakPolarHBondContact O-CA 3.42Å; F216-T282 WeakPolarHBondContact O-CB 3.4Å; F216-T282 PolarHBondContact O-OG1 2.78Å; F216-N283 WeakPolarHBondContact CE1-ND2 3.37Å; F216-N283 PolarHBondContact N-OD1 3.03Å; F216-N283 PolarHBondContact O-N 3.26Å; F216-N283 PolarHBondContact O-OD1 3.07Å
217	M	96.1	Very high	93.1	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.3	168.7	-61.2	164.8	-75.1	0	0	108.3	I58 L63 I133 I235 I236 V280 R281 I284	I58-M217 HydrophobicContact CG2-SD 3.77Å; L63-M217 HydrophobicContact CD1-CG 4.22Å; L63-M217 HydrophobicContact CD1-SD 3.86Å; L63-M217 HydrophobicContact CD2-CB 4.47Å; L63-M217 HydrophobicContact CD2-CG 3.95Å; L63-M217 HydrophobicContact CD2-SD 3.94Å; I133-M217 HydrophobicContact CD1-CE 4.04Å; M217-I235 CarbonylContact O-C 3.51Å; M217-I235 WeakPolarHBondContact O-CA 3.39Å; M217-I236 HydrophobicContact CB-CB 4.4Å; M217-I236 HydrophobicContact CE-CB 4.26Å; M217-I236 HydrophobicContact CE-CG2 4.05Å; M217-I236 PolarHBondContact N-O 2.75Å; M217-I236 PolarHBondContact O-N 3.15Å; M217-V280 HydrophobicContact CB-CG1 4.04Å; M217-R281 CarbonylContact C-O 2.96Å; M217-R281 WeakPolarHBondContact CA-O 3.41Å; M217-I284 HydrophobicContact CG-CD1 4.34Å
218	T	97.4	Very high	93.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.2	-177.8	-177.4	0	0	0	0	112.2	L69 P107 F216 W234 R281	L69-T218 HydrophobicContact CD1-CG2 3.76Å; L69-T218 HydrophobicContact CD2-CG2 4.05Å; P107-T218 HydrophobicContact CB-CG2 4.07Å; F216-T218 HydrophobicContact CE2-CG2 4.17Å; T218-W234 WeakPolarHBondContact CA-O 3.3Å; T218-W234 VanDerWaalsContact CB-O 3.29Å; T218-W234 WeakPolarHBondContact CB-O 3.35Å; T218-W234 PolarHBondContact OG1-O 3.28Å; T218-R281 HydrophobicContact CG2-CB 3.96Å; T218-R281 PolarHBondContact N-O 3.16Å; T218-R281 PolarHBondContact O-N 2.93Å
219	Y	97.9	Very high	93.3	Very high	2 Å²	2	26 Å²	26	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.2	176.5	76.9	-86.1	0	0	0	111.5	S54 I56 H131 W234 I236	S54-Y219 VanDerWaalsContact CB-OH 3.3Å; S54-Y219 WeakPolarHBondContact CB-OH 3.2Å; S54-Y219 WeakPolarHBondContact OG-CE2 3.43Å; S54-Y219 PolarHBondContact OG-OH 3.49Å; I56-Y219 HydrophobicContact CD1-CD1 3.64Å; I56-Y219 HydrophobicContact CD1-CD2 3.85Å; I56-Y219 HydrophobicContact CD1-CE1 3.71Å; I56-Y219 HydrophobicContact CD1-CE2 3.96Å; I56-Y219 HydrophobicContact CD1-CG 3.71Å; I56-Y219 HydrophobicContact CG1-CD1 4.18Å; I56-Y219 HydrophobicContact CG1-CD2 4.46Å; I56-Y219 HydrophobicContact CG1-CE1 3.71Å; I56-Y219 HydrophobicContact CG1-CE2 4.07Å; I56-Y219 HydrophobicContact CG2-CE2 4.19Å; H131-Y219 AromaticContact NE2-CE1 3.83Å; H131-Y219 AromaticContact NE2-CZ 3.75Å; H131-Y219 PolarHBondContact NE2-OH 2.97Å; Y219-W234 HydrophobicContact CD1-CB 3.76Å; Y219-W234 HydrophobicContact CE1-CB 3.4Å; Y219-W234 VanDerWaalsContact CE1-CB 3.4Å; Y219-W234 AromaticContact CE1-CG 3.77Å; Y219-W234 HydrophobicContact CE1-CG 3.77Å; Y219-W234 HydrophobicContact CE2-CB 4.45Å; Y219-W234 AromaticContact CE2-CD1 3.83Å; Y219-W234 HydrophobicContact CE2-CG 4.38Å; Y219-W234 HydrophobicContact CG-CB 4.44Å; Y219-W234 AromaticContact CZ-CD1 3.43Å; Y219-W234 VanDerWaalsContact CZ-CD1 3.43Å; Y219-W234 AromaticContact CZ-CG 3.66Å; Y219-W234 PolarHBondContact N-O 2.98Å; Y219-W234 PolarHBondContact O-N 3.06Å; Y219-W234 VanDerWaalsContact OH-CD1 3.25Å; Y219-I236 HydrophobicContact CE1-CD1 4.44Å
220	E	97.2	Very high	93.4	Very high	86 Å²	86	29 Å²	29	40%	0.402	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.6	173.1	-58.6	-51.8	140.6	0	0	110.9	T233 R278	E220-T233 WeakPolarHBondContact OE1-CG2 3.46Å; E220-T233 PolarHBondContact OE1-OG1 2.91Å; E220-T233 PolarHBondContact OE2-OG1 3.36Å; E220-R278 WeakPolarHBondContact O-CD 3.42Å; E220-R278 PolarHBondContact O-NH1 3.48Å
221	G	97.4	Very high	93.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-156.7	-167.4	0	0	0	0	0	114.6	H52 S54 E230 T231 V232	H52-G221 CarbonylContact O-C 3.19Å; H52-G221 WeakPolarHBondContact O-CA 3.24Å; S54-G221 WeakPolarHBondContact OG-CA 3.49Å; G221-E230 CarbonylContact O-C 3.33Å; G221-E230 VanDerWaalsContact O-C 3.25Å; G221-E230 VanDerWaalsContact O-CA 3.24Å; G221-E230 WeakPolarHBondContact O-CA 3.29Å; G221-T231 PolarHBondContact O-N 2.96Å; G221-V232 CarbonylContact C-O 3.57Å; G221-V232 VanDerWaalsContact CA-O 3.32Å; G221-V232 WeakPolarHBondContact CA-O 3.42Å; G221-V232 PolarHBondContact N-O 2.95Å; G221-V232 PolarHBondContact O-N 2.88Å
222	S	96.6	Very high	94.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.			trans	-135.1	169.2	-174.5	81.1	0	0	0	0	111.3	H52 Q53 S54 H229 V232 W234	H52-S222 PolarHBondContact O-N 3.31Å; Q53-S222 WeakPolarHBondContact CA-OG 3.34Å; Q53-S222 PolarHBondContact OE1-OG 3.48Å; S54-S222 VanDerWaalsContact CB-O 3.26Å; S54-S222 WeakPolarHBondContact CB-O 3.27Å; S54-S222 PolarHBondContact N-OG 3.48Å; S54-S222 PolarHBondContact OG-N 3.44Å; S54-S222 PolarHBondContact OG-O 3.31Å; S222-H229 CarbonylContact C-O 3.52Å; S222-H229 WeakPolarHBondContact CA-O 3.26Å; S222-H229 VanDerWaalsContact CB-O 3.25Å; S222-H229 WeakPolarHBondContact CB-O 3Å; S222-V232 VanDerWaalsContact C-CG2 3.45Å; S222-W234 PolarHBondContact O-NE1 3.25Å
223	L	96.2	Very high	94.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.134	C	C	.	.			trans	-63.7	137.7	162.5	-59.6	167.2	0	0	0	109.2	Y145 F159 F225 H229 V232 R270	Y145-L223 HydrophobicContact CD1-CD2 4.4Å; Y145-L223 HydrophobicContact CE1-CD2 4.05Å; F159-L223 HydrophobicContact CD1-CD1 3.53Å; F159-L223 HydrophobicContact CD1-CD2 3.95Å; F159-L223 HydrophobicContact CD1-CG 4.33Å; F159-L223 HydrophobicContact CE1-CD1 3.9Å; F159-L223 HydrophobicContact CE1-CD2 3.73Å; F159-L223 HydrophobicContact CE1-CG 4.47Å; F159-L223 HydrophobicContact CG-CD1 4.43Å; L223-F225 HydrophobicContact CB-CD2 4.3Å; L223-F225 HydrophobicContact CB-CE2 4.14Å; L223-F225 HydrophobicContact CB-CZ 4.34Å; L223-F225 HydrophobicContact CD1-CE2 4.05Å; L223-F225 HydrophobicContact CD2-CE1 4.46Å; L223-F225 HydrophobicContact CD2-CE2 4.07Å; L223-F225 HydrophobicContact CD2-CZ 3.76Å; L223-F225 HydrophobicContact CG-CE2 4.31Å; L223-F225 HydrophobicContact CG-CZ 4.44Å; L223-H229 HydrophobicContact CD1-CB 4.25Å; L223-H229 PolarHBondContact N-O 3.21Å; L223-V232 HydrophobicContact CD2-CG2 3.65Å; L223-V232 HydrophobicContact CG-CG2 3.88Å; L223-R270 PolarHBondContact O-NH1 2.94Å
224	P	94.9	Very high	95.2	Very high	7 Å²	7	25.8 Å²	25.8	5%	0.045	13%	0.131	C	C	.	.	S	Bend	trans	-82.8	-4.4	177.5	33.6	-31	0	0	0	111.8	E130 Y145 W234 R270	E130-P224 VanDerWaalsContact OE2-CB 3.24Å; E130-P224 WeakPolarHBondContact OE2-CB 3.25Å; E130-P224 VanDerWaalsContact OE2-CG 3.26Å; E130-P224 WeakPolarHBondContact OE2-CG 3.13Å; Y145-P224 WeakPolarHBondContact OH-CD 3.39Å; Y145-P224 WeakPolarHBondContact OH-CG 3.42Å; P224-W234 HydrophobicContact CG-CZ2 4.28Å; P224-R270 WeakPolarHBondContact O-CD 3.05Å
225	F	93.3	Very high	95.6	Very high	39 Å²	39	20.5 Å²	20.5	17%	0.171	11%	0.106	C	C	.	.	S	Bend	trans	-114.5	157.8	173.1	46.3	-95.7	0	0	0	110.4	F116 Y145 L223 C228	F116-F225 HydrophobicContact CZ-CZ 4.39Å; Y145-F225 HydrophobicContact CE1-CE1 4.27Å; Y145-F225 HydrophobicContact CE1-CZ 4.45Å; Y145-F225 HydrophobicContact CE2-CE1 4.25Å; Y145-F225 AromaticContact CZ-CE1 3.78Å; L223-F225 HydrophobicContact CB-CD2 4.3Å; L223-F225 HydrophobicContact CB-CE2 4.14Å; L223-F225 HydrophobicContact CB-CZ 4.34Å; L223-F225 HydrophobicContact CD1-CE2 4.05Å; L223-F225 HydrophobicContact CD2-CE1 4.46Å; L223-F225 HydrophobicContact CD2-CE2 4.07Å; L223-F225 HydrophobicContact CD2-CZ 3.76Å; L223-F225 HydrophobicContact CG-CE2 4.31Å; L223-F225 HydrophobicContact CG-CZ 4.44Å; F225-C228 WeakPolarHBondContact O-CA 3.3Å; F225-C228 PolarHBondContact O-N 3.35Å
226	P	91	Very high	95.8	Very high	69 Å²	69	17.1 Å²	17.1	45%	0.448	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	153.4	178.7	-10.5	22.7	0	0	0	110.7	F39 C228	F39-P226 HydrophobicContact CD1-CB 4.14Å; F39-P226 HydrophobicContact CE1-CB 3.71Å; F39-P226 HydrophobicContact CE1-CG 4.43Å; F39-P226 WeakPolarHBondContact CE1-O 3.19Å; F39-P226 WeakPolarHBondContact CZ-O 3.39Å; P226-C228 VanDerWaalsContact CA-N 3.33Å
227	P	91.4	Very high	95.9	Very high	30 Å²	30	17.2 Å²	17.2	20%	0.195	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	cis	-79.5	13.8	0.4	35.1	-39.2	0	0	0	114.4	L46 H229	L46-P227 WeakPolarHBondContact CB-O 3.37Å; P227-H229 WeakPolarHBondContact CG-CD2 3.44Å; P227-H229 WeakPolarHBondContact CG-NE2 3.35Å; P227-H229 PolarHBondContact O-N 3.13Å
228	C	93.4	Very high	95.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	9%	0.094	C	C	.	.			trans	61.5	38.8	175.2	-45.7	0	0	0	0	114.5	C47 Q53 F225 P226 E230 R270	C47-C228 VanDerWaalsContact CA-SG 3.58Å; C47-C228 HydrophobicContact CB-CB 3.81Å; C47-C228 WeakPolarHBondContact CB-SG 3.4Å; C47-C228 WeakPolarHBondContact SG-CB 3.33Å; C47-C228 CovalentContact SG-SG 2.04Å; C47-C228 PolarHBondContact SG-SG 2.75Å; Q53-C228 PolarHBondContact NE2-O 3.4Å; F225-C228 WeakPolarHBondContact O-CA 3.3Å; F225-C228 PolarHBondContact O-N 3.35Å; P226-C228 VanDerWaalsContact CA-N 3.33Å; C228-E230 PolarHBondContact O-N 3.09Å; C228-R270 PolarHBondContact SG-NH1 3.47Å
229	H	95	Very high	95.5	Very high	30 Å²	30	20.9 Å²	20.9	14%	0.139	11%	0.109	C	C	.	.			trans	-58.1	134.9	176	-75.8	-58.6	0	0	0	111.8	L46 F159 S222 L223 P227 T231	L46-H229 WeakPolarHBondContact CD1-ND1 3.44Å; F159-H229 VanDerWaalsContact O-CB 3.23Å; F159-H229 WeakPolarHBondContact O-CB 3.42Å; S222-H229 CarbonylContact C-O 3.52Å; S222-H229 WeakPolarHBondContact CA-O 3.26Å; S222-H229 VanDerWaalsContact CB-O 3.25Å; S222-H229 WeakPolarHBondContact CB-O 3Å; L223-H229 HydrophobicContact CD1-CB 4.25Å; L223-H229 PolarHBondContact N-O 3.21Å; P227-H229 WeakPolarHBondContact CG-CD2 3.44Å; P227-H229 WeakPolarHBondContact CG-NE2 3.35Å; P227-H229 PolarHBondContact O-N 3.13Å; H229-T231 HydrophobicContact CB-CG2 4.15Å; H229-T231 PolarHBondContact O-N 2.97Å; H229-T231 VanDerWaalsContact O-N 3.14Å
230	E	95.5	Very high	95.4	Very high	66 Å²	66	21.6 Å²	21.6	31%	0.308	11%	0.114	S	C	.	.	S	Bend	trans	-88.1	56.4	-179.2	-56	-168.6	154	0	0	111.4	G50 R51 H52 Q53 G221 C228	G50-E230 WeakPolarHBondContact CA-OE1 3.13Å; R51-E230 PolarHBondContact N-OE1 2.9Å; H52-E230 WeakPolarHBondContact CA-OE1 3.18Å; H52-E230 HydrophobicContact CB-CB 4.3Å; H52-E230 HydrophobicContact CB-CG 4.28Å; H52-E230 IonicContact CG-OE2 3.89Å; H52-E230 VanDerWaalsContact N-CD 3.32Å; H52-E230 PolarHBondContact N-OE1 2.76Å; H52-E230 PolarHBondContact N-OE2 3.04Å; H52-E230 IonicContact ND1-OE2 3.52Å; Q53-E230 PolarHBondContact N-OE1 3.19Å; Q53-E230 PolarHBondContact NE2-OE1 3.32Å; G221-E230 CarbonylContact O-C 3.33Å; G221-E230 VanDerWaalsContact O-C 3.25Å; G221-E230 VanDerWaalsContact O-CA 3.24Å; G221-E230 WeakPolarHBondContact O-CA 3.29Å; C228-E230 PolarHBondContact O-N 3.09Å
231	T	95.7	Very high	95.3	Very high	14 Å²	14	17.8 Å²	17.8	9%	0.086	10%	0.096	C	C	.	.			trans	-120.3	7.6	-172.4	52.5	0	0	0	0	112.6	F159 R161 I165 G221 H229	F159-T231 WeakPolarHBondContact O-CG2 3.41Å; F159-T231 PolarHBondContact O-OG1 2.97Å; R161-T231 WeakPolarHBondContact O-CB 3.49Å; R161-T231 VanDerWaalsContact O-CG2 3.22Å; R161-T231 WeakPolarHBondContact O-CG2 3.34Å; I165-T231 PolarHBondContact N-O 2.65Å; I165-T231 VanDerWaalsContact N-O 3.08Å; G221-T231 PolarHBondContact O-N 2.96Å; H229-T231 HydrophobicContact CB-CG2 4.15Å; H229-T231 PolarHBondContact O-N 2.97Å; H229-T231 VanDerWaalsContact O-N 3.14Å
232	V	97.7	Very high	95.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.3	-169.5	-175.1	0	0	0	0	109.9	I165 A167 G221 S222 L223 W234	I165-V232 HydrophobicContact CB-CB 4.43Å; I165-V232 HydrophobicContact CB-CG2 3.98Å; I165-V232 HydrophobicContact CG2-CB 4.46Å; I165-V232 HydrophobicContact CG2-CG1 4.11Å; I165-V232 HydrophobicContact CG2-CG2 4Å; I165-V232 WeakPolarHBondContact O-CA 3.39Å; A167-V232 HydrophobicContact CB-CG1 3.57Å; G221-V232 CarbonylContact C-O 3.57Å; G221-V232 VanDerWaalsContact CA-O 3.32Å; G221-V232 WeakPolarHBondContact CA-O 3.42Å; G221-V232 PolarHBondContact N-O 2.95Å; G221-V232 PolarHBondContact O-N 2.88Å; S222-V232 VanDerWaalsContact C-CG2 3.45Å; L223-V232 HydrophobicContact CD2-CG2 3.65Å; L223-V232 HydrophobicContact CG-CG2 3.88Å; V232-W234 HydrophobicContact CG1-CD2 4.11Å; V232-W234 HydrophobicContact CG1-CG 4.07Å; V232-W234 HydrophobicContact CG1-CZ2 4.4Å
233	T	97.9	Very high	95.3	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.043	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117	161.3	-53.3	0	0	0	0	107.9	P107 I165 L166 A167 E220	P107-T233 HydrophobicContact CB-CG2 4.14Å; P107-T233 HydrophobicContact CG-CG2 3.83Å; I165-T233 PolarHBondContact O-N 3.5Å; L166-T233 HydrophobicContact CD1-CG2 3.93Å; A167-T233 PolarHBondContact N-O 2.94Å; E220-T233 WeakPolarHBondContact OE1-CG2 3.46Å; E220-T233 PolarHBondContact OE1-OG1 2.91Å; E220-T233 PolarHBondContact OE2-OG1 3.36Å
234	W	98.3	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.6	178.8	-79.6	95.9	0	0	0	111	S54 H131 Q143 Y145 A167 T218 Y219 S222 P224 V232 I236	S54-W234 PolarHBondContact OG-NE1 3.45Å; H131-W234 AromaticContact CE1-CD2 3.86Å; H131-W234 AromaticContact CE1-CE2 3.96Å; H131-W234 AromaticContact CE1-CE3 3.77Å; H131-W234 AromaticContact CE1-CH2 3.89Å; H131-W234 AromaticContact CE1-CZ2 3.98Å; H131-W234 AromaticContact CE1-CZ3 3.79Å; Q143-W234 HydrophobicContact CB-CH2 4.44Å; Q143-W234 HydrophobicContact CB-CZ3 4.47Å; Q143-W234 HydrophobicContact CG-CH2 4.08Å; Q143-W234 HydrophobicContact CG-CZ3 4.13Å; Y145-W234 HydrophobicContact CE1-CH2 4.28Å; Y145-W234 HydrophobicContact CE1-CZ2 4.49Å; A167-W234 HydrophobicContact CB-CD2 3.94Å; A167-W234 HydrophobicContact CB-CE3 3.6Å; A167-W234 HydrophobicContact CB-CH2 4.03Å; A167-W234 HydrophobicContact CB-CZ2 4.33Å; A167-W234 HydrophobicContact CB-CZ3 3.64Å; A167-W234 CarbonylContact O-C 3.48Å; A167-W234 WeakPolarHBondContact O-CA 3.44Å; T218-W234 WeakPolarHBondContact CA-O 3.3Å; T218-W234 VanDerWaalsContact CB-O 3.29Å; T218-W234 WeakPolarHBondContact CB-O 3.35Å; T218-W234 PolarHBondContact OG1-O 3.28Å; Y219-W234 HydrophobicContact CD1-CB 3.76Å; Y219-W234 HydrophobicContact CE1-CB 3.4Å; Y219-W234 VanDerWaalsContact CE1-CB 3.4Å; Y219-W234 AromaticContact CE1-CG 3.77Å; Y219-W234 HydrophobicContact CE1-CG 3.77Å; Y219-W234 HydrophobicContact CE2-CB 4.45Å; Y219-W234 AromaticContact CE2-CD1 3.83Å; Y219-W234 HydrophobicContact CE2-CG 4.38Å; Y219-W234 HydrophobicContact CG-CB 4.44Å; Y219-W234 AromaticContact CZ-CD1 3.43Å; Y219-W234 VanDerWaalsContact CZ-CD1 3.43Å; Y219-W234 AromaticContact CZ-CG 3.66Å; Y219-W234 PolarHBondContact N-O 2.98Å; Y219-W234 PolarHBondContact O-N 3.06Å; Y219-W234 VanDerWaalsContact OH-CD1 3.25Å; S222-W234 PolarHBondContact O-NE1 3.25Å; P224-W234 HydrophobicContact CG-CZ2 4.28Å; V232-W234 HydrophobicContact CG1-CD2 4.11Å; V232-W234 HydrophobicContact CG1-CG 4.07Å; V232-W234 HydrophobicContact CG1-CZ2 4.4Å; W234-I236 HydrophobicContact CB-CD1 4.34Å; W234-I236 HydrophobicContact CE3-CD1 4.21Å
235	I	97.6	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.2	168.9	-65.3	148.3	0	0	0	107.7	M72 P107 L166 A167 I168 S169 F216 M217 L237	M72-I235 HydrophobicContact CE-CG2 3.62Å; M72-I235 HydrophobicContact SD-CB 4.42Å; M72-I235 HydrophobicContact SD-CD1 3.46Å; M72-I235 WeakPolarHBondContact SD-CD1 3.23Å; M72-I235 HydrophobicContact SD-CG1 4.22Å; M72-I235 HydrophobicContact SD-CG2 3.8Å; P107-I235 HydrophobicContact CG-CD1 3.87Å; P107-I235 HydrophobicContact CG-CG1 3.73Å; L166-I235 HydrophobicContact CD1-CD1 3.45Å; L166-I235 VanDerWaalsContact CD1-CD1 3.45Å; L166-I235 HydrophobicContact CD1-CG1 4.22Å; L166-I235 HydrophobicContact CD2-CD1 3.86Å; L166-I235 HydrophobicContact CG-CD1 3.65Å; A167-I235 PolarHBondContact O-N 2.89Å; I168-I235 CarbonylContact C-O 3.55Å; I168-I235 VanDerWaalsContact CA-O 3.31Å; I168-I235 WeakPolarHBondContact CA-O 3.36Å; I168-I235 HydrophobicContact CG1-CB 4.26Å; I168-I235 HydrophobicContact CG1-CD1 4.19Å; S169-I235 PolarHBondContact N-O 2.81Å; F216-I235 HydrophobicContact CB-CG2 3.78Å; F216-I235 HydrophobicContact CD2-CG2 3.78Å; F216-I235 HydrophobicContact CG-CG2 3.8Å; M217-I235 CarbonylContact O-C 3.51Å; M217-I235 WeakPolarHBondContact O-CA 3.39Å; I235-L237 HydrophobicContact CG2-CD2 4.24Å
236	I	97.2	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.4	178.9	-44.9	-59.6	0	0	0	107.5	I58 S169 F171 F216 M217 Y219 W234	I58-I236 HydrophobicContact CD1-CB 4.3Å; I58-I236 HydrophobicContact CD1-CG1 3.72Å; I58-I236 HydrophobicContact CD1-CG2 4.33Å; S169-I236 VanDerWaalsContact CB-CD1 3.43Å; F171-I236 HydrophobicContact CD2-CG2 4.3Å; F171-I236 HydrophobicContact CE2-CG2 3.46Å; F171-I236 VanDerWaalsContact CE2-CG2 3.46Å; F171-I236 HydrophobicContact CZ-CG2 3.89Å; F216-I236 WeakPolarHBondContact CA-O 3.32Å; F216-I236 WeakPolarHBondContact CB-O 3.25Å; M217-I236 HydrophobicContact CB-CB 4.4Å; M217-I236 HydrophobicContact CE-CB 4.26Å; M217-I236 HydrophobicContact CE-CG2 4.05Å; M217-I236 PolarHBondContact N-O 2.75Å; M217-I236 PolarHBondContact O-N 3.15Å; Y219-I236 HydrophobicContact CE1-CD1 4.44Å; W234-I236 HydrophobicContact CB-CD1 4.34Å; W234-I236 HydrophobicContact CE3-CD1 4.21Å
237	L	96	Very high	96.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.3	179.9	-63.7	-166.4	0	0	0	110.7	M72 I168 S169 V170 L210 F216 I235 H239	M72-L237 HydrophobicContact CE-CD2 3.58Å; I168-L237 HydrophobicContact CG2-CD1 4.28Å; I168-L237 HydrophobicContact CG2-CD2 4.23Å; I168-L237 HydrophobicContact CG2-CG 3.92Å; S169-L237 PolarHBondContact O-N 3.34Å; V170-L237 HydrophobicContact CG2-CD1 3.69Å; V170-L237 HydrophobicContact CG2-CG 4.08Å; L210-L237 HydrophobicContact CD2-CD1 4.19Å; F216-L237 HydrophobicContact CB-CD2 4.28Å; I235-L237 HydrophobicContact CG2-CD2 4.24Å; L237-H239 VanDerWaalsContact C-N 3.27Å; L237-H239 PolarHBondContact O-N 2.91Å
238	N	93.1	Very high	96.5	Very high	17 Å²	17	23.3 Å²	23.3	9%	0.091	12%	0.122	C	C	.	.	S	Bend	trans	-64.8	-34.6	178.7	-173.6	30.5	0	0	0	111.7	E215 I284 Y301	E215-N238 HydrophobicContact CB-CB 3.76Å; E215-N238 VanDerWaalsContact O-CB 3.25Å; E215-N238 WeakPolarHBondContact O-CB 3.36Å; E215-N238 PolarHBondContact O-N 3.38Å; E215-N238 PolarHBondContact OE2-ND2 2.88Å; N238-I284 HydrophobicContact CB-CD1 3.84Å; N238-Y301 WeakPolarHBondContact O-CE2 3.36Å; N238-Y301 VanDerWaalsContact O-CZ 3.3Å; N238-Y301 PolarHBondContact O-OH 3.18Å
239	H	93.2	Very high	96.7	Very high	66 Å²	66	28.6 Å²	28.6	31%	0.306	15%	0.145	S	C	.	.	S	Bend	trans	-100.4	123.5	-173.5	-63.4	-82	0	0	0	111.2	T211 E215 L237	T211-H239 WeakPolarHBondContact CB-O 3.39Å; T211-H239 HydrophobicContact CG2-CB 4.2Å; T211-H239 VanDerWaalsContact CG2-O 3.28Å; T211-H239 WeakPolarHBondContact CG2-O 3.48Å; T211-H239 WeakPolarHBondContact OG1-CB 3.37Å; T211-H239 PolarHBondContact OG1-O 3.33Å; E215-H239 IonicContact OE2-CD2 3.73Å; E215-H239 IonicContact OE2-CE1 2.79Å; E215-H239 IonicContact OE2-NE2 2.72Å; E215-H239 PolarHBondContact OE2-NE2 2.91Å; L237-H239 VanDerWaalsContact C-N 3.27Å; L237-H239 PolarHBondContact O-N 2.91Å
240	P	95.4	Very high	96.9	Very high	17 Å²	17	28 Å²	28	11%	0.11	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-76.3	154.7	175.4	32.7	-34.7	0	0	0	111	F171 K173 T211	F171-P240 HydrophobicContact CB-CB 4.1Å; F171-P240 CarbonylContact O-C 3.47Å; F171-P240 WeakPolarHBondContact O-CA 3.35Å; F171-P240 WeakPolarHBondContact O-CB 3.32Å; K173-P240 HydrophobicContact CB-CB 3.72Å; K173-P240 HydrophobicContact CB-CG 3.73Å; K173-P240 HydrophobicContact CD-CG 3.7Å; K173-P240 HydrophobicContact CG-CG 4.38Å; T211-P240 WeakPolarHBondContact CG2-O 3.18Å
241	I	95.5	Very high	97	Very high	5 Å²	5	25 Å²	25	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.4	170.1	-167.3	173.6	0	0	0	109.5	V170 F171 F172 K173 N179 L182 L209 T211	V170-I241 HydrophobicContact CG1-CB 4.21Å; V170-I241 HydrophobicContact CG1-CG2 4.09Å; F171-I241 PolarHBondContact O-N 3.27Å; F172-I241 CarbonylContact C-O 3.6Å; F172-I241 WeakPolarHBondContact CA-O 3.33Å; F172-I241 HydrophobicContact CD1-CG2 3.2Å; F172-I241 HydrophobicContact CE1-CG2 3.48Å; F172-I241 VanDerWaalsContact CE1-CG2 3.48Å; F172-I241 HydrophobicContact CG-CG2 4.3Å; K173-I241 PolarHBondContact N-O 2.76Å; N179-I241 WeakPolarHBondContact ND2-CD1 3.39Å; N179-I241 WeakPolarHBondContact ND2-CG1 3.25Å; L182-I241 HydrophobicContact CB-CD1 4.19Å; L182-I241 HydrophobicContact CD2-CD1 4.05Å; L182-I241 HydrophobicContact CD2-CG1 4.13Å; L182-I241 HydrophobicContact CD2-CG2 4.4Å; L209-I241 HydrophobicContact CD2-CD1 4.12Å; T211-I241 HydrophobicContact CG2-CB 4.26Å
242	M	96.3	Very high	97.1	Very high	72 Å²	72	26.1 Å²	26.1	36%	0.355	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.6	-177.7	-56.8	-56.5	-60.3	0	0	110.3	K173 L174 A177 T178 L182	K173-M242 HydrophobicContact CB-CE 4.37Å; K173-M242 HydrophobicContact CB-SD 4.01Å; K173-M242 HydrophobicContact CD-CE 4.45Å; K173-M242 HydrophobicContact CD-SD 4.17Å; K173-M242 HydrophobicContact CG-CE 4.1Å; K173-M242 HydrophobicContact CG-SD 4.15Å; K173-M242 CarbonylContact O-C 3.41Å; K173-M242 WeakPolarHBondContact O-CA 3.24Å; L174-M242 VanDerWaalsContact O-CE 3.28Å; L174-M242 WeakPolarHBondContact O-CE 3.42Å; A177-M242 VanDerWaalsContact O-CB 3.26Å; A177-M242 WeakPolarHBondContact O-CB 3.43Å; T178-M242 PolarHBondContact OG1-O 3.31Å; L182-M242 WeakPolarHBondContact CD2-O 3.31Å
243	I	97.6	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.3	175	-166	166.7	0	0	0	109.8	F172 K173 L174 G175 L182 E247 L248 L251	F172-I243 HydrophobicContact CB-CG2 3.86Å; F172-I243 HydrophobicContact CD2-CD1 3.84Å; F172-I243 HydrophobicContact CE2-CD1 4.12Å; F172-I243 HydrophobicContact CG-CG2 4.48Å; K173-I243 PolarHBondContact O-N 3.04Å; L174-I243 CarbonylContact C-O 3.59Å; L174-I243 WeakPolarHBondContact CA-O 3.13Å; G175-I243 PolarHBondContact N-O 3.41Å; L182-I243 HydrophobicContact CD2-CB 4.06Å; L182-I243 HydrophobicContact CD2-CD1 4.32Å; L182-I243 HydrophobicContact CD2-CG1 4.14Å; I243-E247 HydrophobicContact CD1-CB 4.04Å; I243-E247 HydrophobicContact CG1-CB 3.69Å; I243-E247 HydrophobicContact CG1-CG 4.5Å; I243-L248 HydrophobicContact CD1-CD2 3.89Å; I243-L248 HydrophobicContact CD1-CG 4.04Å; I243-L248 HydrophobicContact CG1-CG 4.25Å; I243-L248 HydrophobicContact CG2-CD1 4.01Å; I243-L248 HydrophobicContact CG2-CD2 4.24Å; I243-L248 HydrophobicContact CG2-CG 4.02Å; I243-L251 HydrophobicContact CD1-CD1 4.14Å
244	T	98.2	Very high	97.1	Very high	25 Å²	25	32.8 Å²	32.8	15%	0.153	16%	0.156	C	C	.	.			trans	-87.6	158.4	177	67.7	0	0	0	0	112.3	T246 E247 L248	T244-T246 PolarHBondContact O-N 2.92Å; T244-E247 VanDerWaalsContact CB-OE2 3.3Å; T244-E247 WeakPolarHBondContact CB-OE2 3.31Å; T244-E247 WeakPolarHBondContact CG2-OE2 3.45Å; T244-E247 PolarHBondContact N-OE2 3.5Å; T244-E247 PolarHBondContact O-N 2.79Å; T244-E247 WeakPolarHBondContact OG1-CG 3.44Å; T244-E247 PolarHBondContact OG1-N 2.89Å; T244-E247 PolarHBondContact OG1-OE2 2.85Å; T244-L248 PolarHBondContact O-N 3.41Å; T244-L248 VanDerWaalsContact O-N 3.12Å
245	E	97.9	Very high	97.1	Very high	59 Å²	59	35.7 Å²	35.7	28%	0.276	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-30.7	174.3	-173.8	58.6	-148.2	0	0	112	S125 L174 K249 R252	S125-E245 PolarHBondContact OG-OE1 2.75Å; S125-E245 PolarHBondContact OG-OE2 3.37Å; L174-E245 HydrophobicContact CD1-CB 4.07Å; E245-K249 HydrophobicContact CG-CD 4.37Å; E245-K249 WeakPolarHBondContact O-CB 2.99Å; E245-K249 VanDerWaalsContact O-CG 3.26Å; E245-K249 WeakPolarHBondContact O-CG 2.98Å; E245-K249 PolarHBondContact O-N 3.25Å; E245-R252 IonicContact OE1-CZ 2.81Å; E245-R252 IonicContact OE1-NH1 3.56Å; E245-R252 PolarHBondContact OE1-NH1 2.59Å
246	T	98.1	Very high	97	Very high	102 Å²	102	38.1 Å²	38.1	63%	0.626	18%	0.182	S	C	*	.	H	α-helix	trans	-66.7	-45.3	177.2	-57.5	0	0	0	0	111.2	T244 K249 T250	T244-T246 PolarHBondContact O-N 2.92Å; T246-K249 WeakPolarHBondContact O-CB 2.86Å; T246-K249 PolarHBondContact O-N 2.81Å; T246-T250 PolarHBondContact O-N 2.87Å; T246-T250 PolarHBondContact O-OG1 3.44Å
247	E	98.3	Very high	97	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-44.3	176.1	-74	163.1	112.9	0	0	111.8	T178 L183 V186 I243 T244 K249 T250 L251	T178-E247 VanDerWaalsContact CB-OE1 3.3Å; T178-E247 WeakPolarHBondContact CB-OE1 3.29Å; T178-E247 WeakPolarHBondContact CB-OE2 3.18Å; T178-E247 VanDerWaalsContact CG2-OE1 3.23Å; T178-E247 WeakPolarHBondContact CG2-OE1 3.1Å; T178-E247 WeakPolarHBondContact CG2-OE2 3.06Å; T178-E247 PolarHBondContact OG1-OE1 3.37Å; T178-E247 PolarHBondContact OG1-OE2 2.88Å; L183-E247 HydrophobicContact CD1-CG 4.3Å; V186-E247 HydrophobicContact CB-CG 4.36Å; V186-E247 HydrophobicContact CG1-CB 3.99Å; V186-E247 HydrophobicContact CG1-CG 4.09Å; V186-E247 HydrophobicContact CG2-CB 4.1Å; V186-E247 HydrophobicContact CG2-CG 4.24Å; I243-E247 HydrophobicContact CD1-CB 4.04Å; I243-E247 HydrophobicContact CG1-CB 3.69Å; I243-E247 HydrophobicContact CG1-CG 4.5Å; T244-E247 VanDerWaalsContact CB-OE2 3.3Å; T244-E247 WeakPolarHBondContact CB-OE2 3.31Å; T244-E247 WeakPolarHBondContact CG2-OE2 3.45Å; T244-E247 PolarHBondContact N-OE2 3.5Å; T244-E247 PolarHBondContact O-N 2.79Å; T244-E247 WeakPolarHBondContact OG1-CG 3.44Å; T244-E247 PolarHBondContact OG1-N 2.89Å; T244-E247 PolarHBondContact OG1-OE2 2.85Å; E247-K249 VanDerWaalsContact C-N 3.3Å; E247-K249 PolarHBondContact O-N 3.5Å; E247-T250 WeakPolarHBondContact O-CA 3.39Å; E247-T250 WeakPolarHBondContact O-CB 3.34Å; E247-T250 PolarHBondContact O-N 3.35Å; E247-L251 WeakPolarHBondContact O-CG 3.22Å; E247-L251 PolarHBondContact O-N 3.07Å
248	L	98.4	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-40.9	174.7	-73.4	169.7	0	0	0	111.9	P139 L174 I243 T244 T250 L251 R252	P139-L248 HydrophobicContact CB-CD1 3.67Å; P139-L248 HydrophobicContact CB-CD2 3.94Å; P139-L248 HydrophobicContact CB-CG 4.48Å; P139-L248 HydrophobicContact CG-CD1 4.32Å; L174-L248 HydrophobicContact CD1-CD1 4Å; I243-L248 HydrophobicContact CD1-CD2 3.89Å; I243-L248 HydrophobicContact CD1-CG 4.04Å; I243-L248 HydrophobicContact CG1-CG 4.25Å; I243-L248 HydrophobicContact CG2-CD1 4.01Å; I243-L248 HydrophobicContact CG2-CD2 4.24Å; I243-L248 HydrophobicContact CG2-CG 4.02Å; T244-L248 PolarHBondContact O-N 3.41Å; T244-L248 VanDerWaalsContact O-N 3.12Å; L248-T250 VanDerWaalsContact C-N 3.29Å; L248-T250 PolarHBondContact O-N 3.19Å; L248-L251 PolarHBondContact O-N 3.38Å; L248-R252 WeakPolarHBondContact O-CB 3.44Å; L248-R252 WeakPolarHBondContact O-CD 3.32Å; L248-R252 WeakPolarHBondContact O-CG 3.5Å; L248-R252 PolarHBondContact O-N 2.89Å
249	K	98.1	Very high	96.9	Very high	114 Å²	114	48.1 Å²	48.1	50%	0.496	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-35.9	174.2	-77.5	170.5	179.8	171.9	0	112.4	E245 T246 E247 R253	E245-K249 HydrophobicContact CG-CD 4.37Å; E245-K249 WeakPolarHBondContact O-CB 2.99Å; E245-K249 VanDerWaalsContact O-CG 3.26Å; E245-K249 WeakPolarHBondContact O-CG 2.98Å; E245-K249 PolarHBondContact O-N 3.25Å; T246-K249 WeakPolarHBondContact O-CB 2.86Å; T246-K249 PolarHBondContact O-N 2.81Å; E247-K249 VanDerWaalsContact C-N 3.3Å; E247-K249 PolarHBondContact O-N 3.5Å; K249-R253 WeakPolarHBondContact O-CG 3.41Å
250	T	98.1	Very high	96.9	Very high	17 Å²	17	50.1 Å²	50.1	10%	0.104	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-50.3	173.6	-63.6	0	0	0	0	110.8	V186 E190 T246 E247 L248 R252 R253	V186-T250 HydrophobicContact CG1-CG2 3.86Å; E190-T250 HydrophobicContact CB-CG2 3.61Å; E190-T250 HydrophobicContact CG-CG2 3.78Å; T246-T250 PolarHBondContact O-N 2.87Å; T246-T250 PolarHBondContact O-OG1 3.44Å; E247-T250 WeakPolarHBondContact O-CA 3.39Å; E247-T250 WeakPolarHBondContact O-CB 3.34Å; E247-T250 PolarHBondContact O-N 3.35Å; L248-T250 VanDerWaalsContact C-N 3.29Å; L248-T250 PolarHBondContact O-N 3.19Å; T250-R252 VanDerWaalsContact C-N 3.3Å; T250-R252 PolarHBondContact O-N 2.95Å; T250-R253 WeakPolarHBondContact O-CB 3.29Å; T250-R253 PolarHBondContact O-N 3.42Å; T250-R253 VanDerWaalsContact O-N 3.07Å
251	L	98.3	Very high	96.8	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-39.6	177.4	-63.1	176.4	0	0	0	112.5	I92 F121 V186 A189 I243 E247 L248 R253 L254	I92-L251 HydrophobicContact CD1-CD2 3.59Å; F121-L251 HydrophobicContact CB-CD1 4.47Å; F121-L251 HydrophobicContact CD1-CB 4.12Å; F121-L251 HydrophobicContact CD1-CD1 4.34Å; F121-L251 HydrophobicContact CD2-CB 3.96Å; F121-L251 HydrophobicContact CE1-CB 4.14Å; F121-L251 VanDerWaalsContact CE2-C 3.45Å; F121-L251 HydrophobicContact CE2-CB 3.99Å; F121-L251 WeakPolarHBondContact CE2-O 3.4Å; F121-L251 HydrophobicContact CG-CB 4.03Å; F121-L251 HydrophobicContact CG-CD1 4.38Å; F121-L251 HydrophobicContact CZ-CB 4.07Å; F121-L251 WeakPolarHBondContact CZ-O 3.4Å; V186-L251 HydrophobicContact CG1-CD2 4.36Å; V186-L251 HydrophobicContact CG1-CG 4.41Å; V186-L251 HydrophobicContact CG2-CD1 4.4Å; V186-L251 HydrophobicContact CG2-CD2 4.25Å; V186-L251 HydrophobicContact CG2-CG 4.38Å; A189-L251 HydrophobicContact CB-CD2 4Å; I243-L251 HydrophobicContact CD1-CD1 4.14Å; E247-L251 WeakPolarHBondContact O-CG 3.22Å; E247-L251 PolarHBondContact O-N 3.07Å; L248-L251 PolarHBondContact O-N 3.38Å; L251-R253 PolarHBondContact O-N 3.35Å; L251-L254 HydrophobicContact CD2-CD1 4.46Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 WeakPolarHBondContact O-CG 3.46Å; L251-L254 PolarHBondContact O-N 3.07Å; L251-L254 VanDerWaalsContact O-N 3.09Å
252	R	97.6	Very high	96.8	Very high	38 Å²	38	61.4 Å²	61.4	14%	0.143	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.8	178.4	-70.9	165.1	-172.9	157	1.6	114.4	F121 G122 S123 V124 S125 E245 L248 T250 S264 A266	F121-R252 HydrophobicContact CD2-CG 4.44Å; G122-R252 PolarHBondContact O-NE 3.1Å; S123-R252 VanDerWaalsContact C-NE 3.32Å; S123-R252 WeakPolarHBondContact O-CD 3.3Å; S123-R252 PolarHBondContact O-NE 3.22Å; S123-R252 VanDerWaalsContact O-NE 3.07Å; V124-R252 PolarHBondContact O-NH2 3.07Å; S125-R252 VanDerWaalsContact N-NH2 3.17Å; S125-R252 PolarHBondContact OG-NH2 3.21Å; E245-R252 IonicContact OE1-CZ 2.81Å; E245-R252 IonicContact OE1-NH1 3.56Å; E245-R252 PolarHBondContact OE1-NH1 2.59Å; L248-R252 WeakPolarHBondContact O-CB 3.44Å; L248-R252 WeakPolarHBondContact O-CD 3.32Å; L248-R252 WeakPolarHBondContact O-CG 3.5Å; L248-R252 PolarHBondContact O-N 2.89Å; T250-R252 VanDerWaalsContact C-N 3.3Å; T250-R252 PolarHBondContact O-N 2.95Å; R252-S264 PolarHBondContact O-OG 3.49Å; R252-A266 HydrophobicContact CG-CB 4.43Å
253	R	97.3	Very high	96.7	Very high	146 Å²	146	59.9 Å²	59.9	55%	0.551	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.9	176.2	-67.4	171.1	178.4	171.2	-1.2	113.3	E190 K249 T250 L251 R255	E190-R253 IonicContact OE1-NH1 2.83Å; E190-R253 PolarHBondContact OE1-NH1 3.08Å; K249-R253 WeakPolarHBondContact O-CG 3.41Å; T250-R253 WeakPolarHBondContact O-CB 3.29Å; T250-R253 PolarHBondContact O-N 3.42Å; T250-R253 VanDerWaalsContact O-N 3.07Å; L251-R253 PolarHBondContact O-N 3.35Å; R253-R255 PolarHBondContact O-NE 3.04Å; R253-R255 VanDerWaalsContact O-NE 3.11Å
254	L	98.1	Very high	96.6	Very high	1 Å²	1	62 Å²	62	1%	0.005	31%	0.312	C	S	.	.			trans	-62.7	147.5	179.7	-55.1	-177.8	0	0	0	111.2	I92 F121 A189 L251 S264 M265	I92-L254 HydrophobicContact CD1-CD1 3.48Å; I92-L254 VanDerWaalsContact CD1-CD1 3.48Å; I92-L254 HydrophobicContact CG1-CD1 3.62Å; F121-L254 HydrophobicContact CE1-CD1 4.28Å; F121-L254 HydrophobicContact CZ-CB 4.39Å; F121-L254 HydrophobicContact CZ-CD1 4.13Å; A189-L254 HydrophobicContact CB-CD1 4.23Å; A189-L254 WeakPolarHBondContact O-CD2 3.46Å; L251-L254 HydrophobicContact CD2-CD1 4.46Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 WeakPolarHBondContact O-CG 3.46Å; L251-L254 PolarHBondContact O-N 3.07Å; L251-L254 VanDerWaalsContact O-N 3.09Å; L254-S264 WeakPolarHBondContact O-CA 3.44Å; L254-M265 HydrophobicContact CB-CB 4.15Å; L254-M265 HydrophobicContact CB-CE 4.21Å; L254-M265 HydrophobicContact CB-SD 4.43Å; L254-M265 HydrophobicContact CD1-SD 4.35Å; L254-M265 PolarHBondContact O-N 3.19Å
255	R	98	Very high	96.5	Very high	61 Å²	61	61 Å²	61	23%	0.23	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-118.6	146.5	-167.8	-61.3	-60.9	169.3	159.4	-0.9	111.9	N87 I193 F194 R253 A257 L260 S262 G263	N87-R255 PolarHBondContact ND2-O 3.29Å; N87-R255 PolarHBondContact OD1-O 2.9Å; I193-R255 HydrophobicContact CG2-CG 4.1Å; I193-R255 WeakPolarHBondContact O-CB 3.28Å; I193-R255 PolarHBondContact O-N 2.79Å; F194-R255 HydrophobicContact CD1-CB 4.02Å; F194-R255 HydrophobicContact CD1-CG 4.1Å; F194-R255 HydrophobicContact CE1-CB 4.49Å; F194-R255 HydrophobicContact CE1-CG 4.08Å; R253-R255 PolarHBondContact O-NE 3.04Å; R253-R255 VanDerWaalsContact O-NE 3.11Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 3.43Å; R255-L260 PolarHBondContact NH1-O 3.06Å; R255-S262 WeakPolarHBondContact CB-OG 3.25Å; R255-S262 PolarHBondContact NH1-O 3.37Å; R255-G263 WeakPolarHBondContact CA-O 3.3Å
256	V	97.1	Very high	96.5	Very high	52 Å²	52	58.9 Å²	58.9	32%	0.315	30%	0.297	S	S	.	.	S	Bend	trans	-76.7	-14.8	-179.2	-58.7	0	0	0	0	113.7	G89 K195 G263 S264 M265	G89-V256 WeakPolarHBondContact O-CA 3.35Å; G89-V256 WeakPolarHBondContact O-CB 3.48Å; G89-V256 WeakPolarHBondContact O-CG1 3.18Å; K195-V256 WeakPolarHBondContact CD-O 3.13Å; V256-G263 PolarHBondContact N-O 3.38Å; V256-S264 WeakPolarHBondContact CG1-O 3.23Å; V256-M265 HydrophobicContact CG1-CB 4.44Å
257	A	96.8	Very high	96.4	Very high	33 Å²	33	56.9 Å²	56.9	27%	0.273	28%	0.283	S	S	.	.	S	Bend	trans	-140.9	-171.1	-179.8	0	0	0	0	0	111.7	K195 R255 T259 S262	K195-A257 PolarHBondContact N-O 3.16Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 3.43Å; A257-T259 PolarHBondContact O-N 2.86Å; A257-S262 PolarHBondContact N-OG 3.08Å
258	H	94.6	Very high	96.2	Very high	135 Å²	135	60 Å²	60	63%	0.625	30%	0.3	S	S	*	.	S	Bend	trans	-79.3	8.9	-172.5	-50.8	-69.7	0	0	0	114.8	K195	K195-H258 PolarHBondContact O-CE1 2.85Å; K195-H258 PolarHBondContact O-ND1 2.77Å
259	T	92.8	Very high	96	Very high	60 Å²	60	62.8 Å²	62.8	37%	0.368	31%	0.312	S	S	.	.	S	Bend	trans	-139.3	153.3	-173.8	78.9	0	0	0	0	112.4	F194 A257 W261 S262	F194-T259 VanDerWaalsContact CE1-C 3.44Å; A257-T259 PolarHBondContact O-N 2.86Å; T259-W261 HydrophobicContact CG2-CE3 4.36Å; T259-W261 PolarHBondContact O-N 2.71Å; T259-S262 WeakPolarHBondContact O-CB 3.5Å; T259-S262 PolarHBondContact O-N 3.05Å; T259-S262 VanDerWaalsContact O-N 3.13Å; T259-S262 PolarHBondContact O-OG 3.14Å
260	L	92.6	Very high	95.9	Very high	107 Å²	107	59 Å²	59	56%	0.56	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.1	178.9	-168	66.7	0	0	0	113.1	F194 R255 S262	F194-L260 HydrophobicContact CE1-CB 4.29Å; F194-L260 HydrophobicContact CZ-CB 4.48Å; R255-L260 PolarHBondContact NH1-O 3.06Å; L260-S262 PolarHBondContact O-N 2.87Å
261	W	92.7	Very high	95.8	Very high	240 Å²	240	62.7 Å²	62.7	91%	0.909	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.4	175.4	-54.2	-68.8	0	0	0	113.1	T259	T259-W261 HydrophobicContact CG2-CE3 4.36Å; T259-W261 PolarHBondContact O-N 2.71Å
262	S	94.8	Very high	95.7	Very high	19 Å²	19	65.7 Å²	65.7	13%	0.133	34%	0.337	C	S	.	.	S	Bend	trans	-73.4	160.2	174	72.1	0	0	0	0	112.1	R255 A257 T259 L260	R255-S262 WeakPolarHBondContact CB-OG 3.25Å; R255-S262 PolarHBondContact NH1-O 3.37Å; A257-S262 PolarHBondContact N-OG 3.08Å; T259-S262 WeakPolarHBondContact O-CB 3.5Å; T259-S262 PolarHBondContact O-N 3.05Å; T259-S262 VanDerWaalsContact O-N 3.13Å; T259-S262 PolarHBondContact O-OG 3.14Å; L260-S262 PolarHBondContact O-N 2.87Å
263	G	94.9	Very high	95.7	Very high	41 Å²	41	66.5 Å²	66.5	42%	0.423	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-58.5	157.6	178.3	0	0	0	0	0	112.9	R255 V256	R255-G263 WeakPolarHBondContact CA-O 3.3Å; V256-G263 PolarHBondContact N-O 3.38Å
264	S	95.5	Very high	95.7	Very high	45 Å²	45	62.5 Å²	62.5	32%	0.315	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-65.1	145.7	167	-178.1	0	0	0	0	109.6	R252 L254 V256 A266	R252-S264 PolarHBondContact O-OG 3.49Å; L254-S264 WeakPolarHBondContact O-CA 3.44Å; V256-S264 WeakPolarHBondContact CG1-O 3.23Å; S264-A266 PolarHBondContact O-N 3.46Å; S264-A266 WeakPolarHBondContact OG-CB 3.39Å; S264-A266 PolarHBondContact OG-N 2.71Å
265	M	96.7	Very high	95.5	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.02	35%	0.353	C	S	.	.	S	Bend	trans	-69.7	-16.9	171.5	-175.3	-168.4	-69.9	0	0	112.7	N87 D91 I92 F121 L254 V256 N268	N87-M265 HydrophobicContact CB-CE 4.17Å; N87-M265 WeakPolarHBondContact ND2-CE 3.48Å; N87-M265 WeakPolarHBondContact OD1-CE 3.44Å; D91-M265 VanDerWaalsContact C-SD 3.51Å; I92-M265 HydrophobicContact CG1-SD 4.19Å; F121-M265 HydrophobicContact CE1-CG 4.49Å; F121-M265 HydrophobicContact CE1-SD 3.94Å; F121-M265 HydrophobicContact CZ-CB 4Å; F121-M265 HydrophobicContact CZ-CG 4.14Å; F121-M265 HydrophobicContact CZ-SD 3.98Å; L254-M265 HydrophobicContact CB-CB 4.15Å; L254-M265 HydrophobicContact CB-CE 4.21Å; L254-M265 HydrophobicContact CB-SD 4.43Å; L254-M265 HydrophobicContact CD1-SD 4.35Å; L254-M265 PolarHBondContact O-N 3.19Å; V256-M265 HydrophobicContact CG1-CB 4.44Å; M265-N268 WeakPolarHBondContact O-CB 3.46Å
266	A	97.4	Very high	95.4	Very high	13 Å²	13	65.2 Å²	65.2	11%	0.107	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	153.2	178.2	0	0	0	0	0	112.2	F121 R252 S264 N268	F121-A266 HydrophobicContact CD2-CB 3.94Å; F121-A266 HydrophobicContact CE2-CB 3.78Å; R252-A266 HydrophobicContact CG-CB 4.43Å; S264-A266 PolarHBondContact O-N 3.46Å; S264-A266 WeakPolarHBondContact OG-CB 3.39Å; S264-A266 PolarHBondContact OG-N 2.71Å; A266-N268 VanDerWaalsContact C-N 3.27Å; A266-N268 PolarHBondContact O-N 3.39Å
267	D	96.5	Very high	95.2	Very high	61 Å²	61	70.2 Å²	70.2	33%	0.326	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	19.5	178.8	-52.7	-34.9	0	0	0	115.6	F121 G122 S123 Q127 F269	F121-D267 PolarHBondContact O-N 3.22Å; G122-D267 WeakPolarHBondContact CA-OD1 3.24Å; S123-D267 WeakPolarHBondContact CB-OD2 3.46Å; S123-D267 PolarHBondContact N-OD1 3.05Å; S123-D267 PolarHBondContact OG-OD1 2.95Å; S123-D267 PolarHBondContact OG-OD2 3.25Å; Q127-D267 PolarHBondContact NE2-OD1 3.33Å; Q127-D267 PolarHBondContact NE2-OD2 3.45Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 VanDerWaalsContact CA-CE1 3.5Å; D267-F269 HydrophobicContact CB-CE1 3.99Å; D267-F269 HydrophobicContact CB-CZ 4.39Å; D267-F269 PolarHBondContact O-N 3.14Å
268	N	94.8	Very high	95.1	Very high	71 Å²	71	69.9 Å²	69.9	38%	0.38	38%	0.376	S	S	.	.			trans	-91.7	59.4	173.9	-160.6	-8.2	0	0	0	112.8	Y90 K120 M265 A266	Y90-N268 WeakPolarHBondContact CA-ND2 3.42Å; Y90-N268 WeakPolarHBondContact CB-ND2 3.43Å; Y90-N268 PolarHBondContact O-ND2 3.39Å; K120-N268 WeakPolarHBondContact CD-O 3.06Å; K120-N268 PolarHBondContact NZ-O 2.96Å; M265-N268 WeakPolarHBondContact O-CB 3.46Å; A266-N268 VanDerWaalsContact C-N 3.27Å; A266-N268 PolarHBondContact O-N 3.39Å
269	F	93.4	Very high	95.1	Very high	58 Å²	58	67.1 Å²	67.1	25%	0.254	37%	0.372	S	S	.	.			trans	-116.7	141.8	178.3	49.4	-107.7	0	0	0	110.7	Q127 E130 D267	Q127-F269 HydrophobicContact CB-CZ 4.4Å; Q127-F269 HydrophobicContact CG-CE1 4.29Å; Q127-F269 HydrophobicContact CG-CZ 4.27Å; E130-F269 HydrophobicContact CG-CB 3.47Å; E130-F269 VanDerWaalsContact CG-CB 3.47Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 VanDerWaalsContact CA-CE1 3.5Å; D267-F269 HydrophobicContact CB-CE1 3.99Å; D267-F269 HydrophobicContact CB-CZ 4.39Å; D267-F269 PolarHBondContact O-N 3.14Å
270	R	95.3	Very high	95.3	Very high	36 Å²	36	64.8 Å²	64.8	14%	0.136	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-71.5	136.1	174.7	-176.8	172.6	174.8	-173.5	4.7	110.3	C47 Q53 S54 P55 E130 L223 P224 C228	C47-R270 PolarHBondContact O-NH2 2.04Å; Q53-R270 VanDerWaalsContact OE1-NH1 3.08Å; S54-R270 WeakPolarHBondContact O-CD 3.41Å; S54-R270 PolarHBondContact O-NE 3.43Å; S54-R270 PolarHBondContact O-NH1 2.88Å; S54-R270 VanDerWaalsContact O-NH1 3.15Å; P55-R270 WeakPolarHBondContact CG-O 3.07Å; E130-R270 WeakPolarHBondContact OE1-CB 3.25Å; E130-R270 PolarHBondContact OE1-N 3.48Å; L223-R270 PolarHBondContact O-NH1 2.94Å; P224-R270 WeakPolarHBondContact O-CD 3.05Å; C228-R270 PolarHBondContact SG-NH1 3.47Å
271	P	95.9	Very high	95.4	Very high	94 Å²	94	63 Å²	63	61%	0.61	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-59.2	152.8	173.3	-24.8	34.1	0	0	0	112.7	Q273	P271-Q273 PolarHBondContact O-N 3.06Å; P271-Q273 PolarHBondContact O-NE2 3.21Å
272	T	97.5	Very high	95.6	Very high	64 Å²	64	51.6 Å²	51.6	39%	0.393	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-60.6	137.6	174.8	56.8	0	0	0	0	112	N57 T132	N57-T272 HydrophobicContact CB-CG2 4.36Å; T132-T272 HydrophobicContact CG2-CG2 4Å; T132-T272 WeakPolarHBondContact OG1-CG2 3.23Å
273	Q	97.3	Very high	95.5	Very high	56 Å²	56	52 Å²	52	26%	0.262	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-99.7	162.6	-179.9	-52.3	-63.4	-63.2	0	0	110.3	Q53 P55 P271 I275	Q53-Q273 HydrophobicContact CB-CB 3.86Å; Q53-Q273 HydrophobicContact CB-CG 3.79Å; P55-Q273 WeakPolarHBondContact O-CB 3.14Å; P55-Q273 PolarHBondContact O-N 3.39Å; P271-Q273 PolarHBondContact O-N 3.06Å; P271-Q273 PolarHBondContact O-NE2 3.21Å; Q273-I275 PolarHBondContact O-N 2.72Å
274	A	96.3	Very high	95.2	Very high	62 Å²	62	50.6 Å²	50.6	51%	0.512	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-64.1	137.2	179.1	0	0	0	0	0	111.6	N276 R278	A274-N276 WeakPolarHBondContact CB-OD1 3.04Å; A274-N276 PolarHBondContact O-N 2.79Å; A274-R278 PolarHBondContact O-NH2 3.3Å
275	I	95.6	Very high	94.6	Very high	50 Å²	50	51.3 Å²	51.3	26%	0.256	28%	0.284	S	S	.	.			trans	-65.5	-29.1	174.5	-169.2	62.1	0	0	0	111.9	I56 Q273 N277 R278 V280	I56-I275 HydrophobicContact CB-CD1 4.41Å; I56-I275 HydrophobicContact CD1-CD1 3.47Å; I56-I275 VanDerWaalsContact CD1-CD1 3.47Å; I56-I275 HydrophobicContact CG2-CD1 4.26Å; Q273-I275 PolarHBondContact O-N 2.72Å; I275-N277 PolarHBondContact O-N 3.31Å; I275-R278 HydrophobicContact CD1-CB 4.15Å; I275-R278 HydrophobicContact CG1-CB 4.45Å; I275-R278 WeakPolarHBondContact CG1-O 3.32Å; I275-R278 WeakPolarHBondContact O-CB 3.38Å; I275-R278 PolarHBondContact O-N 3.43Å; I275-R278 PolarHBondContact O-NE 3Å; I275-R278 VanDerWaalsContact O-NE 3.14Å; I275-V280 HydrophobicContact CD1-CG2 3.98Å
276	N	94.7	Very high	93.6	Very high	68 Å²	68	57.1 Å²	57.1	36%	0.364	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-131.6	-174.2	-62.6	-39.8	0	0	0	110.9	R51 A274 R278	R51-N276 PolarHBondContact O-ND2 3.49Å; A274-N276 WeakPolarHBondContact CB-OD1 3.04Å; A274-N276 PolarHBondContact O-N 2.79Å; N276-R278 VanDerWaalsContact C-N 3.33Å
277	N	92.6	Very high	92.2	Very high	157 Å²	157	64.9 Å²	64.9	84%	0.84	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	13.9	-178.3	-66.1	-11.2	0	0	0	112.9	I275	I275-N277 PolarHBondContact O-N 3.31Å
278	R	95	Very high	90.2	Very high	26 Å²	26	65.9 Å²	65.9	10%	0.098	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-79.7	143.6	178.9	-65.4	179	-73.8	-177	-0.9	110.7	H52 Q53 I56 E220 A274 I275 N276	H52-R278 VanDerWaalsContact CD2-CD 3.41Å; H52-R278 WeakPolarHBondContact CD2-CD 3.03Å; H52-R278 VanDerWaalsContact CD2-CG 3.47Å; H52-R278 WeakPolarHBondContact CD2-CG 3.21Å; H52-R278 PolarHBondContact O-NH1 3.21Å; Q53-R278 PolarHBondContact O-NH1 3.34Å; Q53-R278 PolarHBondContact O-NH2 3.14Å; I56-R278 VanDerWaalsContact CG2-NH2 3.27Å; E220-R278 WeakPolarHBondContact O-CD 3.42Å; E220-R278 PolarHBondContact O-NH1 3.48Å; A274-R278 PolarHBondContact O-NH2 3.3Å; I275-R278 HydrophobicContact CD1-CB 4.15Å; I275-R278 HydrophobicContact CG1-CB 4.45Å; I275-R278 WeakPolarHBondContact CG1-O 3.32Å; I275-R278 WeakPolarHBondContact O-CB 3.38Å; I275-R278 PolarHBondContact O-N 3.43Å; I275-R278 PolarHBondContact O-NE 3Å; I275-R278 VanDerWaalsContact O-NE 3.14Å; N276-R278 VanDerWaalsContact C-N 3.33Å
279	S	94.3	Very high	87.7	Confident	77 Å²	77	66.1 Å²	66.1	54%	0.538	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-99	142.9	166.3	-62.5	0	0	0	0	109.4
280	V	96.8	Very high	85.2	Confident	12 Å²	12	69.9 Å²	69.9	7%	0.073	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-94.7	119	168.7	-176.4	0	0	0	0	107	I56 I58 L63 V64 M217 I275	I56-V280 HydrophobicContact CD1-CG2 3.67Å; I58-V280 HydrophobicContact CG2-CG1 4.16Å; L63-V280 HydrophobicContact CD2-CB 3.85Å; L63-V280 HydrophobicContact CD2-CG1 3.48Å; L63-V280 VanDerWaalsContact CD2-CG1 3.48Å; V64-V280 PolarHBondContact N-O 3.42Å; M217-V280 HydrophobicContact CB-CG1 4.04Å; I275-V280 HydrophobicContact CD1-CG2 3.98Å
281	R	96.3	Very high	82.7	Confident	70 Å²	70	76.8 Å²	76.8	26%	0.264	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	154.7	-179.6	-56.9	-178.7	-66.9	151	-6.7	110	V64 D66 L69 M217 T218	V64-R281 CarbonylContact O-C 3.59Å; V64-R281 VanDerWaalsContact O-CA 3.24Å; V64-R281 WeakPolarHBondContact O-CA 3.43Å; D66-R281 HydrophobicContact CB-CB 4.16Å; D66-R281 WeakPolarHBondContact OD2-CD 3.47Å; D66-R281 IonicContact OD2-CZ 3.93Å; D66-R281 IonicContact OD2-NE 3.73Å; D66-R281 IonicContact OD2-NH1 2.79Å; D66-R281 PolarHBondContact OD2-NH1 2.86Å; L69-R281 HydrophobicContact CD1-CB 4.01Å; M217-R281 CarbonylContact C-O 2.96Å; M217-R281 WeakPolarHBondContact CA-O 3.41Å; T218-R281 HydrophobicContact CG2-CB 3.96Å; T218-R281 PolarHBondContact N-O 3.16Å; T218-R281 PolarHBondContact O-N 2.93Å
282	T	95.6	Very high	80.2	Confident	0 Å²	0	77 Å²	77	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.2	176.8	-174.5	0	0	0	0	111.7	L63 V64 Y65 D66 F216 I284 F286	L63-T282 HydrophobicContact CB-CG2 3.91Å; L63-T282 HydrophobicContact CD1-CG2 4.34Å; V64-T282 PolarHBondContact O-N 3.22Å; Y65-T282 WeakPolarHBondContact CA-O 3.45Å; Y65-T282 VanDerWaalsContact CD2-O 3.3Å; Y65-T282 WeakPolarHBondContact CD2-O 3.5Å; D66-T282 PolarHBondContact N-O 3.14Å; F216-T282 WeakPolarHBondContact O-CA 3.42Å; F216-T282 WeakPolarHBondContact O-CB 3.4Å; F216-T282 PolarHBondContact O-OG1 2.78Å; T282-I284 WeakPolarHBondContact OG1-CB 3.31Å; T282-I284 WeakPolarHBondContact OG1-CD1 3.4Å; T282-I284 VanDerWaalsContact OG1-CG1 3.28Å; T282-I284 WeakPolarHBondContact OG1-CG1 3.22Å; T282-I284 PolarHBondContact OG1-N 3.19Å; T282-I284 VanDerWaalsContact OG1-N 3.13Å; T282-F286 HydrophobicContact CG2-CE2 4.09Å
283	N	92.8	Very high	77.2	Confident	26 Å²	26	78.6 Å²	78.6	14%	0.139	44%	0.441	C	S	.	.			trans	-98.3	6.7	170.4	71.1	-13.1	0	0	0	113	Y65 L69 H214 E215 F216 N285	Y65-N283 WeakPolarHBondContact CE2-O 3.38Å; L69-N283 HydrophobicContact CB-CB 3.8Å; L69-N283 HydrophobicContact CD1-CB 4.47Å; H214-N283 PolarHBondContact O-ND2 3.2Å; E215-N283 WeakPolarHBondContact CA-OD1 3.13Å; F216-N283 WeakPolarHBondContact CE1-ND2 3.37Å; F216-N283 PolarHBondContact N-OD1 3.03Å; F216-N283 PolarHBondContact O-N 3.26Å; F216-N283 PolarHBondContact O-OD1 3.07Å; N283-N285 PolarHBondContact O-N 3.49Å
284	I	89.9	Confident	74.1	Confident	12 Å²	12	81.6 Å²	81.6	6%	0.062	46%	0.459	C	S	.	.			trans	-73.9	115.5	176.8	-59.1	164.7	0	0	0	108.7	Y65 E215 M217 N238 T282 F286	Y65-I284 WeakPolarHBondContact CD2-O 3.5Å; E215-I284 HydrophobicContact CB-CG1 3.98Å; E215-I284 HydrophobicContact CG-CG1 4.36Å; M217-I284 HydrophobicContact CG-CD1 4.34Å; N238-I284 HydrophobicContact CB-CD1 3.84Å; T282-I284 WeakPolarHBondContact OG1-CB 3.31Å; T282-I284 WeakPolarHBondContact OG1-CD1 3.4Å; T282-I284 VanDerWaalsContact OG1-CG1 3.28Å; T282-I284 WeakPolarHBondContact OG1-CG1 3.22Å; T282-I284 PolarHBondContact OG1-N 3.19Å; T282-I284 VanDerWaalsContact OG1-N 3.13Å; I284-F286 HydrophobicContact CB-CE1 4.46Å; I284-F286 HydrophobicContact CB-CE2 4.2Å; I284-F286 HydrophobicContact CB-CZ 4.01Å; I284-F286 HydrophobicContact CG2-CD1 4.06Å; I284-F286 HydrophobicContact CG2-CE1 3.67Å; I284-F286 HydrophobicContact CG2-CE2 4.17Å; I284-F286 HydrophobicContact CG2-CG 4.47Å; I284-F286 HydrophobicContact CG2-CZ 3.73Å; I284-F286 WeakPolarHBondContact O-CD2 3.43Å; I284-F286 PolarHBondContact O-N 3.42Å
285	N	82.3	Confident	71.3	Confident	60 Å²	60	83.4 Å²	83.4	32%	0.321	46%	0.463	S	S	.	.			trans	-87.1	94.6	176.5	-173.3	-10.8	0	0	0	111.2	Y65 N283 H287 S288	Y65-N285 HydrophobicContact CE2-CB 4.18Å; N283-N285 PolarHBondContact O-N 3.49Å; N285-H287 PolarHBondContact O-N 3.25Å; N285-H287 VanDerWaalsContact O-N 3.17Å; N285-H287 WeakPolarHBondContact OD1-CA 3.41Å; N285-H287 PolarHBondContact OD1-N 2.61Å; N285-S288 PolarHBondContact O-N 2.95Å; N285-S288 PolarHBondContact O-OG 2.79Å; N285-S288 PolarHBondContact OD1-N 2.87Å
286	F	75.7	Confident	68.3	Low	127 Å²	127	89.3 Å²	89.3	56%	0.557	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.3	177.2	-58.8	-75.9	0	0	0	114.6	L63 T282 I284	L63-F286 HydrophobicContact CD1-CE2 4.15Å; L63-F286 HydrophobicContact CD1-CZ 3.83Å; T282-F286 HydrophobicContact CG2-CE2 4.09Å; I284-F286 HydrophobicContact CB-CE1 4.46Å; I284-F286 HydrophobicContact CB-CE2 4.2Å; I284-F286 HydrophobicContact CB-CZ 4.01Å; I284-F286 HydrophobicContact CG2-CD1 4.06Å; I284-F286 HydrophobicContact CG2-CE1 3.67Å; I284-F286 HydrophobicContact CG2-CE2 4.17Å; I284-F286 HydrophobicContact CG2-CG 4.47Å; I284-F286 HydrophobicContact CG2-CZ 3.73Å; I284-F286 WeakPolarHBondContact O-CD2 3.43Å; I284-F286 PolarHBondContact O-N 3.42Å
287	H	68.7	Low	65.6	Low	175 Å²	175	94.4 Å²	94.4	81%	0.81	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-8.2	-177.1	-66.5	-66.7	0	0	0	114.3	N285 S289	N285-H287 PolarHBondContact O-N 3.25Å; N285-H287 VanDerWaalsContact O-N 3.17Å; N285-H287 WeakPolarHBondContact OD1-CA 3.41Å; N285-H287 PolarHBondContact OD1-N 2.61Å; H287-S289 PolarHBondContact O-N 2.55Å
288	S	54.2	Low	62.9	Low	83 Å²	83	94.1 Å²	94.1	58%	0.58	50%	0.495	S	S	*	.			trans	-72.8	94.4	-179.6	64.5	0	0	0	0	112	N285 N290	N285-S288 PolarHBondContact O-N 2.95Å; N285-S288 PolarHBondContact O-OG 2.79Å; N285-S288 PolarHBondContact OD1-N 2.87Å; S288-N290 PolarHBondContact O-N 3.37Å
289	S	42.5	Very low	60.1	Low	75 Å²	75	96.8 Å²	96.8	52%	0.524	51%	0.514	S	S	.	.			trans	-87.9	79.5	168.6	57.3	0	0	0	0	110.3	H287 E291	H287-S289 PolarHBondContact O-N 2.55Å; S289-E291 PolarHBondContact O-N 3.44Å
290	N	40.1	Very low	57.8	Low	137 Å²	137	94.6 Å²	94.6	73%	0.733	50%	0.499	S	S	*	.			trans	-84.3	102.9	160.1	-94.3	-8	0	0	0	107.9	S288 A292 C293	S288-N290 PolarHBondContact O-N 3.37Å; N290-A292 PolarHBondContact O-N 3.36Å; N290-C293 PolarHBondContact O-N 2.78Å
291	E	43.6	Very low	55.1	Low	181 Å²	181	96 Å²	96	85%	0.846	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	15.6	179.3	-72.8	-176.6	151.3	0	0	115.1	S289	S289-E291 PolarHBondContact O-N 3.44Å
292	A	42.3	Very low	52.2	Low	98 Å²	98	96.1 Å²	96.1	81%	0.81	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-19.3	171.7	0	0	0	0	0	113.6	N290	N290-A292 PolarHBondContact O-N 3.36Å
293	C	34.7	Very low	49.1	Very low	99 Å²	99	98.2 Å²	98.2	67%	0.669	53%	0.525	S	S	*	.	S	Bend	trans	-130.5	88.1	171.8	-76.6	0	0	0	0	107.4	N290 V295	N290-C293 PolarHBondContact O-N 2.78Å; C293-V295 HydrophobicContact CB-CG2 4.45Å; C293-V295 PolarHBondContact O-N 3.07Å
294	D	33.1	Very low	46.1	Very low	119 Å²	119	104 Å²	104	64%	0.636	56%	0.556	S	S	*	*			trans	-67.1	79.5	175	-165.2	13.7	0	0	0	110.2	R296	D294-R296 VanDerWaalsContact OD1-CB 3.24Å; D294-R296 WeakPolarHBondContact OD1-CB 3.1Å; D294-R296 WeakPolarHBondContact OD1-CG 3.26Å; D294-R296 PolarHBondContact OD1-N 3.16Å
295	V	36.2	Very low	43.4	Very low	100 Å²	100	110.2 Å²	110.2	61%	0.606	59%	0.588	S	S	*	*			trans	-94.6	31.1	163.7	-158.6	0	0	0	0	108.8	C293 K297 Q298	C293-V295 HydrophobicContact CB-CG2 4.45Å; C293-V295 PolarHBondContact O-N 3.07Å; V295-K297 PolarHBondContact O-N 3.43Å; V295-K297 VanDerWaalsContact O-N 3.15Å; V295-Q298 HydrophobicContact CG1-CB 4.01Å
296	R	34	Very low	40.9	Very low	173 Å²	173	111.1 Å²	111.1	65%	0.653	60%	0.604	S	S	*	*	S	Bend	trans	-66.9	115.2	160.2	-69	-177.7	171.4	173.3	3.1	107.1	D294 Q298	D294-R296 VanDerWaalsContact OD1-CB 3.24Å; D294-R296 WeakPolarHBondContact OD1-CB 3.1Å; D294-R296 WeakPolarHBondContact OD1-CG 3.26Å; D294-R296 PolarHBondContact OD1-N 3.16Å; R296-Q298 VanDerWaalsContact C-N 3.3Å; R296-Q298 PolarHBondContact O-N 3.46Å
297	K	37.9	Very low	38.6	Very low	176 Å²	176	114.5 Å²	114.5	77%	0.765	62%	0.621	S	S	*	*	S	Bend	trans	58.8	26.3	172.7	-65.7	-175.6	172.9	176.9	0	116.3	V295 V299 I302	V295-K297 PolarHBondContact O-N 3.43Å; V295-K297 VanDerWaalsContact O-N 3.15Å; K297-V299 WeakPolarHBondContact O-CG2 2.94Å; K297-V299 PolarHBondContact O-N 3.05Å; K297-I302 HydrophobicContact CB-CD1 4.22Å; K297-I302 HydrophobicContact CD-CD1 4.28Å; K297-I302 HydrophobicContact CG-CD1 3.98Å
298	Q	34.6	Very low	37	Very low	150 Å²	150	116.1 Å²	116.1	70%	0.701	64%	0.643	S	S	*	*			trans	-76.1	70.7	155.9	-80.4	-166.7	-11.7	0	0	109.9	V295 R296 S300	V295-Q298 HydrophobicContact CG1-CB 4.01Å; R296-Q298 VanDerWaalsContact C-N 3.3Å; R296-Q298 PolarHBondContact O-N 3.46Å; Q298-S300 PolarHBondContact O-N 2.75Å
299	V	36.2	Very low	36.2	Very low	83 Å²	83	117.8 Å²	117.8	50%	0.503	65%	0.646	S	S	.	*			trans	16.7	97.2	152.2	-164.1	0	0	0	0	117.2	K297	K297-V299 WeakPolarHBondContact O-CG2 2.94Å; K297-V299 PolarHBondContact O-N 3.05Å
300	S	46.1	Very low	35.8	Very low	31 Å²	31	120.1 Å²	120.1	22%	0.217	65%	0.653	C	S	.	*	S	Bend	trans	-110.8	-31	145.6	49.2	0	0	0	0	113.5	Q298	Q298-S300 PolarHBondContact O-N 2.75Å
301	Y	39.8	Very low	35.6	Very low	40 Å²	40	119.1 Å²	119.1	16%	0.157	65%	0.648	C	S	.	*	S	Bend	trans	-136.1	18.6	179.2	-57.4	-79.4	0	0	0	116.9	I133 F138 F171 N238 A303	I133-Y301 HydrophobicContact CB-CD1 3.91Å; I133-Y301 HydrophobicContact CB-CE1 4.36Å; I133-Y301 HydrophobicContact CG1-CD1 3.79Å; I133-Y301 HydrophobicContact CG1-CE1 3.73Å; I133-Y301 HydrophobicContact CG2-CD1 3.84Å; I133-Y301 HydrophobicContact CG2-CG 3.97Å; F138-Y301 HydrophobicContact CE1-CE1 4.12Å; F138-Y301 HydrophobicContact CE2-CD1 4.18Å; F138-Y301 AromaticContact CE2-CE1 3.82Å; F138-Y301 HydrophobicContact CE2-CE1 3.82Å; F138-Y301 AromaticContact CZ-CD1 3.55Å; F138-Y301 HydrophobicContact CZ-CD1 3.55Å; F138-Y301 AromaticContact CZ-CE1 3.28Å; F138-Y301 HydrophobicContact CZ-CE1 3.28Å; F171-Y301 HydrophobicContact CD2-CE1 4.21Å; N238-Y301 WeakPolarHBondContact O-CE2 3.36Å; N238-Y301 VanDerWaalsContact O-CZ 3.3Å; N238-Y301 PolarHBondContact O-OH 3.18Å; Y301-A303 PolarHBondContact O-N 2.83Å
302	I	35.1	Very low	35.1	Very low	74 Å²	74	115.5 Å²	115.5	38%	0.379	64%	0.637	S	S	.	*			trans	-78.6	79.8	163.9	-50.1	174.7	0	0	0	107.1	K297 N304 I305	K297-I302 HydrophobicContact CB-CD1 4.22Å; K297-I302 HydrophobicContact CD-CD1 4.28Å; K297-I302 HydrophobicContact CG-CD1 3.98Å; I302-N304 PolarHBondContact O-N 2.85Å; I302-I305 HydrophobicContact CG2-CD1 4.12Å; I302-I305 HydrophobicContact CG2-CG1 4.14Å
303	A	31.6	Very low	34.7	Very low	43 Å²	43	116.6 Å²	116.6	36%	0.355	63%	0.626	S	S	.	*			trans	-68.5	110.2	169.9	0	0	0	0	0	107.9	K136 Y301 I305	K136-A303 HydrophobicContact CD-CB 3.01Å; K136-A303 HydrophobicContact CG-CB 4.41Å; K136-A303 VanDerWaalsContact NZ-C 3.33Å; K136-A303 PolarHBondContact NZ-O 3.12Å; Y301-A303 PolarHBondContact O-N 2.83Å; A303-I305 PolarHBondContact O-N 3.44Å
304	N	28.9	Very low	34.7	Very low	148 Å²	148	117.7 Å²	117.7	79%	0.791	62%	0.623	S	S	*	*			trans	21.5	85.9	166.7	-62	-9.1	0	0	0	114	I302 A306	I302-N304 PolarHBondContact O-N 2.85Å; N304-A306 PolarHBondContact O-N 2.75Å
305	I	33.8	Very low	34.8	Very low	143 Å²	143	117.6 Å²	117.6	73%	0.733	62%	0.622	S	S	*	*			trans	-67.1	108	151.2	-60.2	172.3	0	0	0	104	I302 A303 Q307	I302-I305 HydrophobicContact CG2-CD1 4.12Å; I302-I305 HydrophobicContact CG2-CG1 4.14Å; A303-I305 PolarHBondContact O-N 3.44Å; I305-Q307 PolarHBondContact O-N 3.05Å; I305-Q307 VanDerWaalsContact O-N 3.14Å
306	A	29.9	Very low	34.7	Very low	79 Å²	79	119 Å²	119	65%	0.653	62%	0.623	S	S	*	*			trans	-56.9	118.9	167.1	0	0	0	0	0	107	N304 V308	N304-A306 PolarHBondContact O-N 2.75Å; A306-V308 PolarHBondContact O-N 3.33Å; A306-V308 VanDerWaalsContact O-N 3.17Å
307	Q	27.3	Very low	34.7	Very low	198 Å²	198	114.5 Å²	114.5	93%	0.925	62%	0.621	S	S	*	*			trans	-60.5	116.6	162.7	-71.5	-175.4	-49.3	0	0	106.7	I305	I305-Q307 PolarHBondContact O-N 3.05Å; I305-Q307 VanDerWaalsContact O-N 3.14Å
308	V	35.7	Very low	34.4	Very low	209 Å²	209	108.9 Å²	108.9	100%	1.267	61%	0.607	S	S	*	*			trans	-106.2	0	153.7	-177	0	0	0	0	106.1	A306	A306-V308 PolarHBondContact O-N 3.33Å; A306-V308 VanDerWaalsContact O-N 3.17Å

Retrieved 308 of 308 residues in 108.7 ms (Link to these results)

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