X6R7A2_HUMAN Loading...

Glycoprotein endo-alpha-1,2-mannosidase

AlphaFold DB , UniProt , Accession X6R7A2, Species HUMAN (Homo sapiens, Human), Gene MANEA, Length 198 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53	Low	68.1	Low	226 Å²	226	144.7 Å²	144.7	100%	1.113	69%	0.687	S	S	*	*				0	1.1	0	-69.1	-168.1	-79.7	0	0	115.7
2	A	54	Low	69.8	Low	84 Å²	84	141.6 Å²	141.6	69%	0.694	68%	0.676	S	S	*	*	H	α-helix	trans	-84.3	-23.9	-179.1	0	0	0	0	0	115.4	R6	A2-R6 PolarHBondContact O-N 3.11Å
3	K	54.6	Low	71.3	Confident	181 Å²	181	134.3 Å²	134.3	79%	0.787	65%	0.654	S	S	*	*	H	α-helix	trans	-73.5	-29.9	-178.7	-79.3	-179.3	176	175	0	113.9	R7	K3-R7 PolarHBondContact O-N 3.49Å
4	F	55.1	Low	72.9	Confident	166 Å²	166	132.5 Å²	132.5	73%	0.728	65%	0.648	S	S	*	*	H	α-helix	trans	-71.6	-46.3	-178.5	-157.8	-99	0	0	0	111.2	R6 R7 T8	F4-R6 VanDerWaalsContact C-N 3.3Å; F4-R6 PolarHBondContact O-N 2.84Å; F4-R7 PolarHBondContact O-N 3.38Å; F4-T8 PolarHBondContact O-N 3.12Å; F4-T8 VanDerWaalsContact O-N 3.07Å; F4-T8 PolarHBondContact O-OG1 2.87Å; F4-T8 VanDerWaalsContact O-OG1 3.06Å
5	R	61.1	Low	74.2	Confident	201 Å²	201	132.6 Å²	132.6	76%	0.758	64%	0.644	S	S	*	*	H	α-helix	trans	-56.6	-40.5	172.8	-84.8	-178.2	173.9	176.9	-2.1	112.7	T8 C9	R5-T8 PolarHBondContact O-N 3.47Å; R5-C9 WeakPolarHBondContact O-CB 3.36Å; R5-C9 PolarHBondContact O-N 3.32Å; R5-C9 PolarHBondContact O-SG 2.94Å
6	R	67.9	Low	75.3	Confident	188 Å²	188	129.3 Å²	129.3	71%	0.709	63%	0.629	S	S	*	*	H	α-helix	trans	-65.7	-39.8	179.3	-162.9	177.5	-177.6	-160.4	0.4	112.3	A2 F4 C9 I10	A2-R6 PolarHBondContact O-N 3.11Å; F4-R6 VanDerWaalsContact C-N 3.3Å; F4-R6 PolarHBondContact O-N 2.84Å; R6-C9 PolarHBondContact O-N 2.82Å; R6-I10 HydrophobicContact CG-CD1 4.12Å; R6-I10 WeakPolarHBondContact O-CD1 3.37Å; R6-I10 WeakPolarHBondContact O-CG1 3.32Å; R6-I10 PolarHBondContact O-N 3.5Å
7	R	72.4	Confident	76.2	Confident	181 Å²	181	128.4 Å²	128.4	68%	0.683	63%	0.628	S	S	*	*	H	α-helix	trans	-67.1	-42.6	176.4	-71.5	-176.3	176.4	-171.9	-2	111.6	K3 F4 I10 I11	K3-R7 PolarHBondContact O-N 3.49Å; F4-R7 PolarHBondContact O-N 3.38Å; R7-I10 PolarHBondContact O-N 3.38Å; R7-I11 VanDerWaalsContact O-CG1 3.28Å; R7-I11 WeakPolarHBondContact O-CG1 3.37Å; R7-I11 PolarHBondContact O-N 3.26Å
8	T	77.6	Confident	77.1	Confident	74 Å²	74	128.1 Å²	128.1	45%	0.454	62%	0.623	S	S	.	*	H	α-helix	trans	-64.2	-41	175.9	-46.9	0	0	0	0	111.8	F4 R5 I11 L12	F4-T8 PolarHBondContact O-N 3.12Å; F4-T8 VanDerWaalsContact O-N 3.07Å; F4-T8 PolarHBondContact O-OG1 2.87Å; F4-T8 VanDerWaalsContact O-OG1 3.06Å; R5-T8 PolarHBondContact O-N 3.47Å; T8-I11 PolarHBondContact O-N 2.99Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 PolarHBondContact O-N 3.3Å
9	C	78	Confident	77.9	Confident	84 Å²	84	125 Å²	125	57%	0.568	61%	0.609	S	S	*	*	H	α-helix	trans	-64.5	-38.7	175.2	-70.2	0	0	0	0	112.7	R5 R6 L12 A13	R5-C9 WeakPolarHBondContact O-CB 3.36Å; R5-C9 PolarHBondContact O-N 3.32Å; R5-C9 PolarHBondContact O-SG 2.94Å; R6-C9 PolarHBondContact O-N 2.82Å; C9-L12 PolarHBondContact O-N 3.29Å; C9-A13 WeakPolarHBondContact O-CB 3.47Å; C9-A13 PolarHBondContact O-N 2.96Å
10	I	87.4	Confident	78.4	Confident	90 Å²	90	124.9 Å²	124.9	46%	0.462	61%	0.605	S	S	.	*	H	α-helix	trans	-65.4	-44.4	176.2	-68.8	162.4	0	0	0	110.4	R6 R7 L12 A13 L14	R6-I10 HydrophobicContact CG-CD1 4.12Å; R6-I10 WeakPolarHBondContact O-CD1 3.37Å; R6-I10 WeakPolarHBondContact O-CG1 3.32Å; R6-I10 PolarHBondContact O-N 3.5Å; R7-I10 PolarHBondContact O-N 3.38Å; I10-L12 PolarHBondContact O-N 3.37Å; I10-A13 PolarHBondContact O-N 3.43Å; I10-L14 HydrophobicContact CG2-CD1 4.14Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.49Å
11	I	88.1	Confident	78.8	Confident	117 Å²	117	122.8 Å²	122.8	60%	0.6	60%	0.603	S	S	*	*	H	α-helix	trans	-63	-43.3	177.5	-66.4	164.4	0	0	0	110.7	R7 T8 A13 L14 F15	R7-I11 VanDerWaalsContact O-CG1 3.28Å; R7-I11 WeakPolarHBondContact O-CG1 3.37Å; R7-I11 PolarHBondContact O-N 3.26Å; T8-I11 PolarHBondContact O-N 2.99Å; I11-A13 PolarHBondContact O-N 3.28Å; I11-L14 PolarHBondContact O-N 3.23Å; I11-F15 WeakPolarHBondContact O-CB 3.36Å; I11-F15 PolarHBondContact O-N 3.36Å
12	L	88	Confident	80.6	Confident	107 Å²	107	115.9 Å²	115.9	56%	0.56	57%	0.571	S	S	*	*	H	α-helix	trans	-62.6	-43.1	177.2	-164.1	101.8	0	0	0	111.6	T8 C9 I10 F15 I16	T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 PolarHBondContact O-N 3.3Å; C9-L12 PolarHBondContact O-N 3.29Å; I10-L12 PolarHBondContact O-N 3.37Å; L12-F15 PolarHBondContact O-N 3.25Å; L12-I16 HydrophobicContact CD2-CD1 3.9Å; L12-I16 HydrophobicContact CG-CD1 4.14Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.34Å; L12-I16 PolarHBondContact O-N 3.49Å
13	A	90	Very high	82	Confident	47 Å²	47	117.8 Å²	117.8	39%	0.388	57%	0.566	S	S	.	*	H	α-helix	trans	-63.3	-42.9	177.7	0	0	0	0	0	111.8	C9 I10 I11 F15 I16 L17	C9-A13 WeakPolarHBondContact O-CB 3.47Å; C9-A13 PolarHBondContact O-N 2.96Å; I10-A13 PolarHBondContact O-N 3.43Å; I11-A13 PolarHBondContact O-N 3.28Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 2.96Å; A13-I16 PolarHBondContact O-N 3.43Å; A13-L17 WeakPolarHBondContact O-CB 3.33Å; A13-L17 VanDerWaalsContact O-CG 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.48Å; A13-L17 PolarHBondContact O-N 2.9Å
14	L	93.3	Very high	83.3	Confident	109 Å²	109	114.6 Å²	114.6	57%	0.571	56%	0.556	S	S	*	*	H	α-helix	trans	-63.6	-39.7	175.5	-69.9	173.8	0	0	0	111.9	I10 I11 L17 F18	I10-L14 HydrophobicContact CG2-CD1 4.14Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.49Å; I11-L14 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 3.05Å; L14-F18 WeakPolarHBondContact O-CB 3.23Å; L14-F18 PolarHBondContact O-N 3.44Å
15	F	92.4	Very high	84.5	Confident	134 Å²	134	108.4 Å²	108.4	59%	0.588	54%	0.539	S	S	*	.	H	α-helix	trans	-65	-44.1	177	-169.7	-101.9	0	0	0	111.9	I11 L12 A13 L17 F18 I19	I11-F15 WeakPolarHBondContact O-CB 3.36Å; I11-F15 PolarHBondContact O-N 3.36Å; L12-F15 PolarHBondContact O-N 3.25Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 2.96Å; F15-L17 PolarHBondContact O-N 2.98Å; F15-F18 WeakPolarHBondContact O-CB 3.28Å; F15-F18 PolarHBondContact O-N 3.28Å; F15-I19 HydrophobicContact CD1-CG1 4.38Å; F15-I19 HydrophobicContact CE1-CD1 4.41Å; F15-I19 HydrophobicContact CE1-CG1 4.1Å; F15-I19 HydrophobicContact CZ-CD1 4.29Å; F15-I19 HydrophobicContact CZ-CG1 4.43Å; F15-I19 WeakPolarHBondContact O-CG1 3.43Å; F15-I19 PolarHBondContact O-N 3.43Å
16	I	91.4	Very high	85.2	Confident	79 Å²	79	104.4 Å²	104.4	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-46.8	175.8	-68.8	165.4	0	0	0	110.5	L12 A13 F18 I19 F20	L12-I16 HydrophobicContact CD2-CD1 3.9Å; L12-I16 HydrophobicContact CG-CD1 4.14Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.34Å; L12-I16 PolarHBondContact O-N 3.49Å; A13-I16 PolarHBondContact O-N 3.43Å; I16-F18 VanDerWaalsContact C-N 3.28Å; I16-F18 PolarHBondContact O-N 2.9Å; I16-I19 PolarHBondContact O-N 2.9Å; I16-F20 HydrophobicContact CG2-CD2 3.71Å; I16-F20 HydrophobicContact CG2-CE2 3.78Å; I16-F20 WeakPolarHBondContact O-CD2 3.35Å; I16-F20 PolarHBondContact O-N 3.3Å
17	L	91.8	Very high	85.3	Confident	115 Å²	115	101.5 Å²	101.5	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-60.5	-37.8	177.5	-72.8	171.9	0	0	0	112.3	A13 L14 F15 F20 S21	A13-L17 WeakPolarHBondContact O-CB 3.33Å; A13-L17 VanDerWaalsContact O-CG 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.48Å; A13-L17 PolarHBondContact O-N 2.9Å; L14-L17 PolarHBondContact O-N 3.05Å; F15-L17 PolarHBondContact O-N 2.98Å; L17-F20 PolarHBondContact O-N 3.39Å; L17-S21 WeakPolarHBondContact O-CB 3.32Å; L17-S21 PolarHBondContact O-N 2.99Å
18	F	92.6	Very high	84.9	Confident	123 Å²	123	99.8 Å²	99.8	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-45	175.9	179.9	-106.5	0	0	0	112.2	L14 F15 I16 S21 L22	L14-F18 WeakPolarHBondContact O-CB 3.23Å; L14-F18 PolarHBondContact O-N 3.44Å; F15-F18 WeakPolarHBondContact O-CB 3.28Å; F15-F18 PolarHBondContact O-N 3.28Å; I16-F18 VanDerWaalsContact C-N 3.28Å; I16-F18 PolarHBondContact O-N 2.9Å; F18-S21 PolarHBondContact O-N 3.37Å; F18-L22 HydrophobicContact CD1-CD1 3.81Å; F18-L22 HydrophobicContact CE1-CD1 3.28Å; F18-L22 HydrophobicContact CE1-CG 4.21Å; F18-L22 HydrophobicContact CE2-CD1 4.35Å; F18-L22 HydrophobicContact CE2-CG 4.46Å; F18-L22 HydrophobicContact CZ-CD1 3.59Å; F18-L22 HydrophobicContact CZ-CG 4.12Å; F18-L22 PolarHBondContact O-N 3.49Å
19	I	91.1	Very high	84.3	Confident	69 Å²	69	103.2 Å²	103.2	35%	0.354	54%	0.541	S	S	.	.	H	α-helix	trans	-62.4	-44.1	175.7	-62.3	-59.8	0	0	0	111.1	F15 I16 S21 L22 M23	F15-I19 HydrophobicContact CD1-CG1 4.38Å; F15-I19 HydrophobicContact CE1-CD1 4.41Å; F15-I19 HydrophobicContact CE1-CG1 4.1Å; F15-I19 HydrophobicContact CZ-CD1 4.29Å; F15-I19 HydrophobicContact CZ-CG1 4.43Å; F15-I19 WeakPolarHBondContact O-CG1 3.43Å; F15-I19 PolarHBondContact O-N 3.43Å; I16-I19 PolarHBondContact O-N 2.9Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.31Å; I19-L22 PolarHBondContact O-N 3.33Å; I19-M23 HydrophobicContact CG2-CG 4.47Å; I19-M23 HydrophobicContact CG2-SD 4.37Å; I19-M23 WeakPolarHBondContact O-CG 3.32Å; I19-M23 PolarHBondContact O-N 2.94Å
20	F	88.2	Confident	83.3	Confident	123 Å²	123	108.3 Å²	108.3	54%	0.539	55%	0.548	S	S	.	.	H	α-helix	trans	-61.4	-41.4	175.8	-91.6	-79	0	0	0	112.4	I16 L17 M23 M24	I16-F20 HydrophobicContact CG2-CD2 3.71Å; I16-F20 HydrophobicContact CG2-CE2 3.78Å; I16-F20 WeakPolarHBondContact O-CD2 3.35Å; I16-F20 PolarHBondContact O-N 3.3Å; L17-F20 PolarHBondContact O-N 3.39Å; F20-M23 PolarHBondContact O-N 3.28Å; F20-M24 WeakPolarHBondContact O-CB 3.49Å; F20-M24 WeakPolarHBondContact O-CG 3.17Å; F20-M24 PolarHBondContact O-N 3.38Å
21	S	87.3	Confident	81.6	Confident	81 Å²	81	109 Å²	109	57%	0.566	56%	0.558	S	S	*	*	H	α-helix	trans	-64.3	-43	176.3	-177	0	0	0	0	111.8	L17 F18 I19 M24 G25	L17-S21 WeakPolarHBondContact O-CB 3.32Å; L17-S21 PolarHBondContact O-N 2.99Å; F18-S21 PolarHBondContact O-N 3.37Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.31Å; S21-M24 PolarHBondContact O-N 3.36Å; S21-G25 PolarHBondContact O-N 2.98Å
22	L	89.5	Confident	80	Confident	81 Å²	81	110.1 Å²	110.1	42%	0.424	57%	0.566	S	S	.	*	H	α-helix	trans	-60.3	-46.5	173.5	-84.2	169.7	0	0	0	111.8	F18 I19 M24 G25 L26	F18-L22 HydrophobicContact CD1-CD1 3.81Å; F18-L22 HydrophobicContact CE1-CD1 3.28Å; F18-L22 HydrophobicContact CE1-CG 4.21Å; F18-L22 HydrophobicContact CE2-CD1 4.35Å; F18-L22 HydrophobicContact CE2-CG 4.46Å; F18-L22 HydrophobicContact CZ-CD1 3.59Å; F18-L22 HydrophobicContact CZ-CG 4.12Å; F18-L22 PolarHBondContact O-N 3.49Å; I19-L22 PolarHBondContact O-N 3.33Å; L22-M24 VanDerWaalsContact C-N 3.32Å; L22-M24 PolarHBondContact O-N 3.49Å; L22-G25 PolarHBondContact O-N 2.98Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 WeakPolarHBondContact O-CD1 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.4Å
23	M	83.6	Confident	78.1	Confident	123 Å²	123	111 Å²	111	61%	0.606	58%	0.576	S	S	*	*	H	α-helix	trans	-61.3	-40.4	177.6	-72.7	-172.8	72.8	0	0	112.1	I19 F20 K27	I19-M23 HydrophobicContact CG2-CG 4.47Å; I19-M23 HydrophobicContact CG2-SD 4.37Å; I19-M23 WeakPolarHBondContact O-CG 3.32Å; I19-M23 PolarHBondContact O-N 2.94Å; F20-M23 PolarHBondContact O-N 3.28Å; M23-K27 VanDerWaalsContact O-CB 3.23Å; M23-K27 WeakPolarHBondContact O-CB 3.3Å; M23-K27 PolarHBondContact O-N 2.94Å
24	M	82.3	Confident	75.8	Confident	114 Å²	114	112.9 Å²	112.9	56%	0.562	59%	0.591	S	S	*	*	H	α-helix	trans	-70	-38.9	176.1	-71.5	-64.4	175.4	0	0	112.1	F20 S21 L22 K27 M28	F20-M24 WeakPolarHBondContact O-CB 3.49Å; F20-M24 WeakPolarHBondContact O-CG 3.17Å; F20-M24 PolarHBondContact O-N 3.38Å; S21-M24 PolarHBondContact O-N 3.36Å; L22-M24 VanDerWaalsContact C-N 3.32Å; L22-M24 PolarHBondContact O-N 3.49Å; M24-K27 PolarHBondContact O-N 3.06Å; M24-M28 WeakPolarHBondContact O-CG 3.35Å; M24-M28 PolarHBondContact O-N 3.41Å
25	G	80.4	Confident	73.3	Confident	36 Å²	36	114.6 Å²	114.6	37%	0.371	61%	0.606	S	S	.	*	H	α-helix	trans	-64.2	-46	175	0	0	0	0	0	112.6	S21 L22 K27 M28 L29	S21-G25 PolarHBondContact O-N 2.98Å; L22-G25 PolarHBondContact O-N 2.98Å; G25-K27 VanDerWaalsContact C-N 3.26Å; G25-K27 PolarHBondContact O-N 3.2Å; G25-M28 PolarHBondContact O-N 3.31Å; G25-M28 VanDerWaalsContact O-N 3.12Å; G25-L29 PolarHBondContact O-N 2.98Å; G25-L29 VanDerWaalsContact O-N 3.11Å
26	L	75.8	Confident	70.8	Confident	117 Å²	117	118.6 Å²	118.6	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-61	-35.9	173.2	-77.5	155.6	0	0	0	111.8	L22 L29	L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 WeakPolarHBondContact O-CD1 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 3.2Å
27	K	69.3	Low	68.5	Low	127 Å²	127	118.2 Å²	118.2	55%	0.552	64%	0.639	S	S	*	*	H	α-helix	trans	-70.1	-31.1	175.1	-168.7	174.7	179.7	-178.9	0	112.7	M23 M24 G25 R30	M23-K27 VanDerWaalsContact O-CB 3.23Å; M23-K27 WeakPolarHBondContact O-CB 3.3Å; M23-K27 PolarHBondContact O-N 2.94Å; M24-K27 PolarHBondContact O-N 3.06Å; G25-K27 VanDerWaalsContact C-N 3.26Å; G25-K27 PolarHBondContact O-N 3.2Å; K27-R30 PolarHBondContact O-N 3.32Å
28	M	65.9	Low	65.9	Low	145 Å²	145	116.8 Å²	116.8	71%	0.714	64%	0.644	S	S	*	*	H	α-helix	trans	-76.4	-24.2	175.6	-72.1	-72.2	97.9	0	0	113.5	M24 G25 R30	M24-M28 WeakPolarHBondContact O-CG 3.35Å; M24-M28 PolarHBondContact O-N 3.41Å; G25-M28 PolarHBondContact O-N 3.31Å; G25-M28 VanDerWaalsContact O-N 3.12Å; M28-R30 PolarHBondContact O-N 3.07Å
29	L	63.1	Low	63.7	Low	147 Å²	147	115.8 Å²	115.8	77%	0.77	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-8.1	171.4	-69.5	168.4	0	0	0	113	G25 L26 P31	G25-L29 PolarHBondContact O-N 2.98Å; G25-L29 VanDerWaalsContact O-N 3.11Å; L26-L29 PolarHBondContact O-N 3.2Å; L29-P31 WeakPolarHBondContact O-CD 3.4Å
30	R	57.9	Low	61.4	Low	190 Å²	190	121.4 Å²	121.4	72%	0.717	67%	0.672	S	S	*	*	S	Bend	trans	-95.6	111.3	173.7	-164.4	172.9	-173.3	175	1.1	109.1	K27 M28 N32	K27-R30 PolarHBondContact O-N 3.32Å; M28-R30 PolarHBondContact O-N 3.07Å; R30-N32 PolarHBondContact O-N 3.49Å
31	P	52.3	Low	59.5	Low	104 Å²	104	119.4 Å²	119.4	68%	0.675	69%	0.686	S	S	*	*			trans	-59.7	128.5	174.1	-17.1	29.5	0	0	0	109.6	L29 T33	L29-P31 WeakPolarHBondContact O-CD 3.4Å; P31-T33 PolarHBondContact O-N 2.9Å
32	N	54.6	Low	57.4	Low	142 Å²	142	123.3 Å²	123.3	76%	0.759	70%	0.7	S	S	*	*	S	Bend	trans	-75.2	62.7	178.1	-76.8	-39.4	0	0	0	111.7	R30	R30-N32 PolarHBondContact O-N 3.49Å
33	T	48.3	Very low	55	Low	126 Å²	126	127.3 Å²	127.3	77%	0.773	72%	0.722	S	S	*	*			trans	-135.9	76.1	167.3	55.9	0	0	0	0	109.3	P31	P31-T33 PolarHBondContact O-N 2.9Å
34	A	41.6	Very low	53	Low	86 Å²	86	129.2 Å²	129.2	71%	0.711	73%	0.733	S	S	*	*			trans	-162.4	105.1	156.7	0	0	0	0	0	109	F36	A34-F36 PolarHBondContact O-N 3.41Å
35	T	40.4	Very low	51.2	Low	145 Å²	145	129.6 Å²	129.6	89%	0.89	74%	0.737	S	S	*	*			trans	-42.6	124.5	160.4	-59.5	0	0	0	0	109.3	G37	T35-G37 PolarHBondContact O-N 2.91Å
36	F	38.5	Very low	49.1	Very low	218 Å²	218	132.8 Å²	132.8	96%	0.956	75%	0.751	S	S	*	*	S	Bend	trans	-70.2	98.2	-174.9	-159.3	-95.1	0	0	0	109.7	A34	A34-F36 PolarHBondContact O-N 3.41Å
37	G	43.8	Very low	47.5	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	76%	0.756	S	S	*	*			trans	-175.5	54.8	-179.9	0	0	0	0	0	113.4	T35	T35-G37 PolarHBondContact O-N 2.91Å
38	A	37.8	Very low	46.4	Very low	86 Å²	86	134 Å²	134	71%	0.711	76%	0.758	S	S	*	*			trans	-178.4	116	153.9	0	0	0	0	0	109.5
39	P	46.3	Very low	45.1	Very low	101 Å²	101	133.6 Å²	133.6	66%	0.656	76%	0.755	S	S	*	*			trans	-78.6	152.3	153.9	33	-25.1	0	0	0	108
40	F	42.7	Very low	43.8	Very low	187 Å²	187	134.3 Å²	134.3	82%	0.82	75%	0.754	S	S	*	*	S	Bend	trans	86	115.5	175	-45.3	-67.8	0	0	0	114.9	L42	F40-L42 PolarHBondContact O-N 2.92Å
41	G	47.9	Very low	42.7	Very low	81 Å²	81	134.9 Å²	134.9	84%	0.835	76%	0.756	S	S	*	*			trans	-70.9	107	-171.9	0	0	0	0	0	112.7
42	L	43	Very low	42.1	Very low	164 Å²	164	134.9 Å²	134.9	86%	0.859	75%	0.754	S	S	*	*			trans	-112.3	39.7	168.9	-75.1	176.1	0	0	0	111.3	F40 L44	F40-L42 PolarHBondContact O-N 2.92Å; L42-L44 VanDerWaalsContact C-N 3.3Å
43	D	38.6	Very low	41.6	Very low	165 Å²	165	133.7 Å²	133.7	88%	0.882	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	22.9	176.9	-116.1	2.2	0	0	0	113.1
44	L	41.9	Very low	41.1	Very low	163 Å²	163	135.9 Å²	135.9	85%	0.853	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	8.5	-179	-99.1	153.4	0	0	0	114.7	L42	L42-L44 VanDerWaalsContact C-N 3.3Å
45	L	44.4	Very low	41	Very low	122 Å²	122	138.9 Å²	138.9	64%	0.639	75%	0.751	S	S	*	*			trans	-144.4	79.9	176.2	-102.6	161	0	0	0	113.2	E47	L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 PolarHBondContact O-N 3.27Å
46	P	37.5	Very low	40.6	Very low	102 Å²	102	135.4 Å²	135.4	66%	0.662	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-69.7	-22.5	169.9	-16.1	31.4	0	0	0	113.3	L48	P46-L48 PolarHBondContact O-N 3.46Å
47	E	42.3	Very low	40.2	Very low	155 Å²	155	133.7 Å²	133.7	72%	0.724	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-74.8	-16.6	-167.8	-105.4	82.1	-159.4	0	0	116.7	L45	L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 PolarHBondContact O-N 3.27Å
48	L	45.2	Very low	39.7	Very low	114 Å²	114	137 Å²	137	60%	0.597	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-88.7	-17	-174.5	-91.4	176	0	0	0	114.9	P46 T52	P46-L48 PolarHBondContact O-N 3.46Å; L48-T52 PolarHBondContact O-OG1 3Å
49	H	38.4	Very low	39.4	Very low	137 Å²	137	143.1 Å²	143.1	63%	0.634	75%	0.748	S	S	*	*	H	α-helix	trans	-74.6	-34.7	-176.6	-166.6	67.5	0	0	0	112.5	R51	H49-R51 VanDerWaalsContact C-N 3.33Å; H49-R51 PolarHBondContact O-N 3.48Å
50	Q	36.5	Very low	38.5	Very low	162 Å²	162	146 Å²	146	76%	0.757	76%	0.758	S	S	*	*	H	α-helix	trans	-69.8	-29.9	-175.4	-148.1	114.8	-27.1	0	0	112.7
51	R	34	Very low	37.9	Very low	202 Å²	202	145.7 Å²	145.7	76%	0.762	76%	0.757	S	S	*	*	H	α-helix	trans	-75.9	-30.8	-177.1	-160.8	166.3	-158.3	168.5	5	112.9	H49	H49-R51 VanDerWaalsContact C-N 3.33Å; H49-R51 PolarHBondContact O-N 3.48Å
52	T	41.3	Very low	37	Very low	104 Å²	104	149.5 Å²	149.5	64%	0.638	75%	0.753	S	S	*	*	H	α-helix	trans	-74.5	-31.7	-178.1	-46.5	0	0	0	0	112.1	L48	L48-T52 PolarHBondContact O-OG1 3Å
53	I	43.5	Very low	36.3	Very low	118 Å²	118	150 Å²	150	61%	0.605	75%	0.748	S	S	*	*	H	α-helix	trans	-72.1	-31.1	179.4	-62.1	-179	0	0	0	111.7
54	H	37.6	Very low	36	Very low	171 Å²	171	147.7 Å²	147.7	79%	0.792	75%	0.745	S	S	*	*	H	α-helix	trans	-85.6	-15.9	-175.2	-138.3	-82.1	0	0	0	114.2
55	L	39.3	Very low	35.3	Very low	149 Å²	149	145.8 Å²	145.8	78%	0.78	74%	0.735	S	S	*	*	H	α-helix	trans	-94	-15.7	-177.9	-159.4	65.6	0	0	0	113.3	K57	L55-K57 PolarHBondContact O-N 3.17Å
56	G	31.7	Very low	34.6	Very low	72 Å²	72	150.5 Å²	150.5	74%	0.742	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	8.5	-175	0	0	0	0	0	116.6
57	K	31	Very low	34.1	Very low	183 Å²	183	152.9 Å²	152.9	80%	0.796	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	0.4	-169.1	-150.2	172.1	178.3	171.2	0	116.7	L55	L55-K57 PolarHBondContact O-N 3.17Å
58	N	31.8	Very low	33.5	Very low	138 Å²	138	152.7 Å²	152.7	74%	0.738	75%	0.754	S	S	*	*			trans	-134.9	99	177.7	-67.7	-41.7	0	0	0	109.6
59	F	31.5	Very low	33	Very low	215 Å²	215	152.7 Å²	152.7	94%	0.943	76%	0.764	S	S	*	*			trans	-177.1	69.3	141.9	-102	-71.5	0	0	0	109.7
60	D	27.9	Very low	32.5	Very low	161 Å²	161	154.8 Å²	154.8	86%	0.861	77%	0.774	S	S	*	*			trans	-109	108.2	153.8	-90.6	-32.6	0	0	0	106.2
61	F	30	Very low	32.1	Very low	182 Å²	182	153.2 Å²	153.2	80%	0.798	78%	0.776	S	S	*	*			trans	179.6	122.3	139.9	-124.3	-118.9	0	0	0	113.8
62	Q	30.2	Very low	31.7	Very low	160 Å²	160	150.6 Å²	150.6	75%	0.748	78%	0.777	S	S	*	*			trans	74.9	101.9	130.4	-157.9	167.9	34.9	0	0	122.1
63	K	28.6	Very low	31.1	Very low	176 Å²	176	152.5 Å²	152.5	77%	0.765	79%	0.788	S	S	*	*			trans	-39.9	133.5	144.6	176.7	-175.7	-177.4	-179.9	0	114.5
64	S	30.4	Very low	30.6	Very low	115 Å²	115	156.1 Å²	156.1	80%	0.804	80%	0.8	S	S	*	*			trans	-154.2	139	142.7	69.6	0	0	0	0	113.3
65	D	28.2	Very low	30.1	Very low	123 Å²	123	155.5 Å²	155.5	66%	0.658	80%	0.802	S	S	*	*			trans	-67.5	170.3	-174.8	-59.1	-61.6	0	0	0	116.1
66	R	29.3	Very low	29.5	Very low	222 Å²	222	156.7 Å²	156.7	84%	0.838	81%	0.809	S	S	*	*			trans	91.5	111	137.2	-92.4	176	-158.9	-158.8	6.3	120.5
67	I	28.1	Very low	29.4	Very low	151 Å²	151	163 Å²	163	77%	0.774	82%	0.815	S	S	*	*				145.4	136.9	107.5	-80.3	153.1	0	0	0	114
68	N	29.6	Very low	29.3	Very low	152 Å²	152	159.7 Å²	159.7	81%	0.813	82%	0.816	S	S	*	*			trans	-60.1	151.2	179.5	-53	-34.1	0	0	0	114.7
69	S	34	Very low	29.4	Very low	114 Å²	114	159.2 Å²	159.2	80%	0.797	82%	0.818	S	S	*	*			trans	-147.9	105	149.5	173.8	0	0	0	0	109
70	E	28.7	Very low	29.2	Very low	180 Å²	180	157 Å²	157	84%	0.841	81%	0.81	S	S	*	*			trans	-71.3	138.9	163	-64.8	172.3	153.9	0	0	109.1
71	T	26.9	Very low	29.4	Very low	130 Å²	130	156.5 Å²	156.5	80%	0.798	81%	0.806	S	S	*	*			trans	-145.9	116.3	146.5	-46.8	0	0	0	0	110.3
72	N	26.7	Very low	29.3	Very low	147 Å²	147	152.9 Å²	152.9	79%	0.786	80%	0.799	S	S	*	*			trans	-64.3	132.1	171.6	-103.1	-58.8	0	0	0	111.8
73	T	27.8	Very low	29.5	Very low	143 Å²	143	154 Å²	154	88%	0.877	81%	0.806	S	S	*	*			trans	-149.5	144.1	143.2	-4.7	0	0	0	0	111.9
74	K	33	Very low	29.6	Very low	194 Å²	194	154.4 Å²	154.4	84%	0.843	81%	0.808	S	S	*	*			trans	-84.1	145.4	-155.6	-62.6	166.7	176.9	172.7	0	114.4
75	N	28.1	Very low	29.7	Very low	158 Å²	158	154.4 Å²	154.4	85%	0.845	81%	0.805	S	S	*	*			trans	12	128	147.3	-75.9	-38.9	0	0	0	120.4
76	L	25.9	Very low	30	Very low	175 Å²	175	154.2 Å²	154.2	92%	0.916	81%	0.814	S	S	*	*				-158.5	126.1	126.4	-153.7	68.5	0	0	0	112.2
77	K	30.3	Very low	30.5	Very low	203 Å²	203	152.1 Å²	152.1	88%	0.883	81%	0.81	S	S	*	*			trans	-61.6	131	169.9	-86.1	173.5	170.3	175.9	0	110.7
78	S	28.5	Very low	31.3	Very low	115 Å²	115	149 Å²	149	80%	0.804	81%	0.807	S	S	*	*			trans	-145.1	122.8	139.3	53.1	0	0	0	0	108.2
79	V	33.8	Very low	32.3	Very low	128 Å²	128	146.6 Å²	146.6	78%	0.776	80%	0.802	S	S	*	*			trans	-83	113.7	175.4	168.9	0	0	0	0	105.9	I81	V79-I81 HydrophobicContact CG1-CG1 4.29Å
80	E	27.1	Very low	33.3	Very low	168 Å²	168	148.8 Å²	148.8	79%	0.785	80%	0.8	S	S	*	*			trans	-134.4	101.5	163.8	-165.4	168	-165	0	0	107.9	T82	E80-T82 PolarHBondContact O-N 3.23Å
81	I	33.1	Very low	34.5	Very low	151 Å²	151	144.1 Å²	144.1	77%	0.774	78%	0.78	S	S	*	*			trans	-74.5	84.2	174.8	-60.5	170.5	0	0	0	106.3	V79	V79-I81 HydrophobicContact CG1-CG1 4.29Å
82	T	28.1	Very low	36.1	Very low	105 Å²	105	143.5 Å²	143.5	64%	0.644	77%	0.772	S	S	*	*			trans	-93.9	104.2	161.5	-56.4	0	0	0	0	106.6	E80 K84	E80-T82 PolarHBondContact O-N 3.23Å; T82-K84 VanDerWaalsContact C-N 3.3Å; T82-K84 PolarHBondContact O-N 3.41Å
83	M	34.6	Very low	37.5	Very low	183 Å²	183	141.2 Å²	141.2	90%	0.901	76%	0.759	S	S	*	*			trans	-61.7	94	171.1	-88.3	-171	154.4	0	0	109
84	K	29.2	Very low	39.1	Very low	186 Å²	186	142.2 Å²	142.2	81%	0.809	76%	0.759	S	S	*	*			trans	-79	132.1	171.2	-161.6	173.8	-175.1	177.2	0	107.4	T82 S86	T82-K84 VanDerWaalsContact C-N 3.3Å; T82-K84 PolarHBondContact O-N 3.41Å; K84-S86 PolarHBondContact O-N 2.99Å
85	P	32.8	Very low	40.9	Very low	115 Å²	115	141 Å²	141	75%	0.747	76%	0.757	S	S	*	*			trans	-59.5	131.6	179.3	24.5	-30.8	0	0	0	108.5	K87	P85-K87 PolarHBondContact O-N 3.13Å
86	S	35.6	Very low	43.1	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	73%	0.726	S	S	*	*			trans	-59.8	100.4	-179.4	53.5	0	0	0	0	109	K84 A88	K84-S86 PolarHBondContact O-N 2.99Å; S86-A88 PolarHBondContact O-N 3.4Å
87	K	39.4	Very low	45.7	Very low	178 Å²	178	129.7 Å²	129.7	77%	0.774	70%	0.7	S	S	*	*			trans	-57.2	111.3	166.2	-169.5	-179.7	-177.8	-169.4	0	105.8	P85 S89	P85-K87 PolarHBondContact O-N 3.13Å; K87-S89 PolarHBondContact O-N 2.57Å
88	A	44	Very low	48.5	Very low	86 Å²	86	125.7 Å²	125.7	71%	0.711	70%	0.695	S	S	*	*			trans	-47.2	112.4	170.2	0	0	0	0	0	106.8	S86 E90	S86-A88 PolarHBondContact O-N 3.4Å; A88-E90 PolarHBondContact O-N 2.7Å
89	S	50.7	Low	51.5	Low	101 Å²	101	124.1 Å²	124.1	71%	0.706	68%	0.677	S	S	*	*			trans	-58.4	112.8	177	47.6	0	0	0	0	106.8	K87 L91	K87-S89 PolarHBondContact O-N 2.57Å; S89-L91 PolarHBondContact O-N 3.1Å
90	E	55.3	Low	54.3	Low	160 Å²	160	121.5 Å²	121.5	75%	0.748	66%	0.658	S	S	*	*			trans	-50.8	110.6	164.8	-73.9	165.5	153	0	0	106.4	A88 N92	A88-E90 PolarHBondContact O-N 2.7Å; E90-N92 PolarHBondContact O-N 3.22Å
91	L	53.1	Low	57.4	Low	82 Å²	82	118 Å²	118	43%	0.429	65%	0.645	S	S	.	*			trans	-62	112	177.4	-79.1	163.3	0	0	0	106.9	S89 L93 L96 R174	S89-L91 PolarHBondContact O-N 3.1Å; L91-L93 PolarHBondContact O-N 2.88Å; L91-L96 HydrophobicContact CD2-CD2 4.49Å; L91-R174 HydrophobicContact CD1-CB 4.18Å
92	N	60.9	Low	60.2	Low	117 Å²	117	120.9 Å²	120.9	63%	0.626	65%	0.648	S	S	*	*			trans	-60.4	105.6	170	-82.5	-53.6	0	0	0	107.8	E90 D94 E95	E90-N92 PolarHBondContact O-N 3.22Å; N92-D94 PolarHBondContact O-N 3.25Å; N92-D94 VanDerWaalsContact O-N 3.1Å; N92-E95 PolarHBondContact O-N 3.15Å
93	L	57.3	Low	63.2	Low	98 Å²	98	119.5 Å²	119.5	51%	0.513	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.7	-18.9	-175.7	-68.5	174.1	0	0	0	112.8	L91 L96 R177	L91-L93 PolarHBondContact O-N 2.88Å; L93-L96 HydrophobicContact CD2-CD1 3.99Å; L93-R177 PolarHBondContact O-NH2 3.34Å
94	D	60.5	Low	66	Low	164 Å²	164	116 Å²	116	88%	0.877	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-13.5	-176.6	-59.5	-30.3	0	0	0	113.7	N92	N92-D94 PolarHBondContact O-N 3.25Å; N92-D94 VanDerWaalsContact O-N 3.1Å
95	E	71.8	Confident	69	Low	169 Å²	169	109.3 Å²	109.3	79%	0.79	59%	0.592	S	S	*	*	S	Bend	trans	-107	0.1	-180	-150.2	174.9	-169.8	0	0	112.6	N92	N92-E95 PolarHBondContact O-N 3.15Å
96	L	73.6	Confident	72	Confident	38 Å²	38	111.6 Å²	111.6	20%	0.199	59%	0.591	C	S	.	*	S	Bend	trans	-78.1	140.6	-177.7	-69.5	172.5	0	0	0	111.4	L91 L93 R177	L91-L96 HydrophobicContact CD2-CD2 4.49Å; L93-L96 HydrophobicContact CD2-CD1 3.99Å; L96-R177 HydrophobicContact CD1-CG 3.93Å
97	P	81	Confident	74.9	Confident	58 Å²	58	107.4 Å²	107.4	38%	0.377	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-57.4	149.4	175.7	24.7	-34.7	0	0	0	111.2	S180	P97-S180 WeakPolarHBondContact CB-OG 3.3Å; P97-S180 WeakPolarHBondContact CG-OG 3.3Å
98	P	88.3	Confident	77.5	Confident	118 Å²	118	103.5 Å²	103.5	77%	0.766	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-60.9	144	177.1	27	-34.4	0	0	0	110.5	N100	P98-N100 PolarHBondContact O-N 3.21Å
99	L	91.8	Very high	80	Confident	83 Å²	83	102 Å²	102	44%	0.435	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-65.4	134.8	177.2	-66.5	177	0	0	0	110.9	R177	L99-R177 HydrophobicContact CD2-CB 4.45Å; L99-R177 HydrophobicContact CD2-CG 4.12Å
100	N	92.1	Very high	82.1	Confident	72 Å²	72	101 Å²	101	39%	0.385	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	105.3	172.5	-173.2	-12.4	0	0	0	110.3	P98 Y102 L103 S180 G182	P98-N100 PolarHBondContact O-N 3.21Å; N100-Y102 PolarHBondContact O-N 2.93Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.22Å; N100-Y102 PolarHBondContact OD1-N 3.36Å; N100-L103 HydrophobicContact CB-CB 4.07Å; N100-L103 PolarHBondContact O-N 2.66Å; N100-S180 WeakPolarHBondContact CB-O 3.35Å; N100-S180 PolarHBondContact N-O 3.46Å; N100-G182 WeakPolarHBondContact O-CA 3.44Å; N100-G182 PolarHBondContact O-N 3.08Å
101	N	91.7	Very high	84.2	Confident	95 Å²	95	95.6 Å²	95.6	51%	0.508	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-10.1	179.8	-63.9	-26.4	0	0	0	113.7	N183	N101-N183 PolarHBondContact O-ND2 2.9Å
102	Y	92.1	Very high	86.3	Confident	212 Å²	212	91.7 Å²	91.7	83%	0.831	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	-6.4	174.4	-53.2	-69.8	0	0	0	112.7	N100 H104	N100-Y102 PolarHBondContact O-N 2.93Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.22Å; N100-Y102 PolarHBondContact OD1-N 3.36Å; Y102-H104 PolarHBondContact O-CD2 3.43Å
103	L	91.8	Very high	88	Confident	75 Å²	75	86.9 Å²	86.9	39%	0.393	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.8	175.3	-175.4	60.4	0	0	0	109.3	N100 I181 N183	N100-L103 HydrophobicContact CB-CB 4.07Å; N100-L103 PolarHBondContact O-N 2.66Å; L103-I181 HydrophobicContact CD2-CG1 3.78Å; L103-I181 HydrophobicContact CG-CG1 4.21Å; L103-N183 PolarHBondContact O-N 3.1Å
104	H	92.5	Very high	89.9	Confident	109 Å²	109	85.3 Å²	85.3	51%	0.505	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.5	-179.9	-66.2	-111	0	0	0	110.4	Y102 N183	Y102-H104 PolarHBondContact O-CD2 3.43Å; H104-N183 WeakPolarHBondContact CA-O 3.28Å
105	V	93.8	Very high	91.6	Very high	47 Å²	47	85.1 Å²	85.1	29%	0.285	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.7	172.7	69.3	0	0	0	0	111	M176 I181 N183 Y184 C185	V105-M176 HydrophobicContact CG1-CG 4.43Å; V105-M176 HydrophobicContact CG1-SD 3.67Å; V105-I181 HydrophobicContact CB-CD1 4.11Å; V105-I181 HydrophobicContact CB-CG2 4.11Å; V105-I181 HydrophobicContact CG1-CD1 4.3Å; V105-I181 HydrophobicContact CG1-CG2 3.76Å; V105-I181 HydrophobicContact CG2-CD1 4.42Å; V105-N183 PolarHBondContact N-O 2.99Å; V105-Y184 WeakPolarHBondContact O-CA 3.4Å; V105-C185 PolarHBondContact O-N 3.16Å
106	F	95.5	Very high	92.8	Very high	163 Å²	163	80.8 Å²	80.8	72%	0.715	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.9	171.2	-66.2	-67.2	0	0	0	109.9	Y108 C185	F106-Y108 HydrophobicContact CB-CE2 4.36Å; F106-C185 HydrophobicContact CD1-CB 4.2Å
107	Y	94.9	Very high	93.9	Very high	30 Å²	30	81 Å²	81	12%	0.118	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.9	-178.2	-176.2	-99.3	0	0	0	111.1	H172 C185 I186 Y187	Y107-H172 HydrophobicContact CE2-CB 4.14Å; Y107-H172 AromaticContact CE2-ND1 3.52Å; Y107-H172 AromaticContact CZ-ND1 3.72Å; Y107-H172 PolarHBondContact OH-ND1 3.26Å; Y107-C185 PolarHBondContact N-O 3.06Å; Y107-I186 HydrophobicContact CD1-CD1 4.21Å; Y107-I186 HydrophobicContact CD1-CG1 4.19Å; Y107-Y187 PolarHBondContact O-N 3.04Å
108	Y	95.1	Very high	94.7	Very high	97 Å²	97	81.4 Å²	81.4	38%	0.38	41%	0.413	S	S	.	.			trans	-112.6	122.1	-178.9	-59.9	-87.3	0	0	0	110.5	F106 W110 Y187	F106-Y108 HydrophobicContact CB-CE2 4.36Å; Y108-W110 HydrophobicContact CD1-CD2 4.15Å; Y108-W110 AromaticContact CD1-CE2 3.66Å; Y108-W110 HydrophobicContact CD1-CE3 4.3Å; Y108-W110 AromaticContact CD1-CH2 3.56Å; Y108-W110 HydrophobicContact CD1-CH2 3.56Å; Y108-W110 AromaticContact CD1-CZ2 3.36Å; Y108-W110 HydrophobicContact CD1-CZ2 3.36Å; Y108-W110 HydrophobicContact CD1-CZ3 4.03Å; Y108-W110 AromaticContact CE1-CH2 3.74Å; Y108-W110 HydrophobicContact CE1-CH2 3.74Å; Y108-W110 AromaticContact CE1-CZ2 3.84Å; Y108-W110 HydrophobicContact CE1-CZ2 3.84Å; Y108-W110 HydrophobicContact CE1-CZ3 4.39Å; Y108-W110 AromaticContact CG-CE2 3.95Å; Y108-W110 AromaticContact CG-CZ2 3.92Å; Y108-W110 HydrophobicContact CG-CZ2 3.92Å; Y108-Y187 HydrophobicContact CD1-CG 4.35Å; Y108-Y187 HydrophobicContact CE1-CD2 4.23Å; Y108-Y187 HydrophobicContact CE1-CG 4.38Å
109	S	96.2	Very high	95.1	Very high	54 Å²	54	82.4 Å²	82.4	38%	0.378	41%	0.406	S	S	.	.			trans	-107.4	28.8	-176.8	54.3	0	0	0	0	113.4	S163	S109-S163 VanDerWaalsContact C-CB 3.44Å; S109-S163 VanDerWaalsContact C-OG 3.29Å; S109-S163 VanDerWaalsContact O-CB 3.28Å; S109-S163 WeakPolarHBondContact O-CB 3.26Å
110	W	95.9	Very high	95.4	Very high	79 Å²	79	81.1 Å²	81.1	30%	0.299	40%	0.396	S	S	.	.			trans	-105.7	10.4	-169.9	58.1	20.9	0	0	0	115.1	Y108 I121 H122 Y187 Y189	Y108-W110 HydrophobicContact CD1-CD2 4.15Å; Y108-W110 AromaticContact CD1-CE2 3.66Å; Y108-W110 HydrophobicContact CD1-CE3 4.3Å; Y108-W110 AromaticContact CD1-CH2 3.56Å; Y108-W110 HydrophobicContact CD1-CH2 3.56Å; Y108-W110 AromaticContact CD1-CZ2 3.36Å; Y108-W110 HydrophobicContact CD1-CZ2 3.36Å; Y108-W110 HydrophobicContact CD1-CZ3 4.03Å; Y108-W110 AromaticContact CE1-CH2 3.74Å; Y108-W110 HydrophobicContact CE1-CH2 3.74Å; Y108-W110 AromaticContact CE1-CZ2 3.84Å; Y108-W110 HydrophobicContact CE1-CZ2 3.84Å; Y108-W110 HydrophobicContact CE1-CZ3 4.39Å; Y108-W110 AromaticContact CG-CE2 3.95Å; Y108-W110 AromaticContact CG-CZ2 3.92Å; Y108-W110 HydrophobicContact CG-CZ2 3.92Å; W110-I121 WeakPolarHBondContact O-CG2 3.36Å; W110-H122 AromaticContact CD1-CD2 3.25Å; W110-H122 AromaticContact CD1-CG 3.9Å; W110-H122 AromaticContact CD1-NE2 3.96Å; W110-H122 AromaticContact CD2-CD2 3.53Å; W110-H122 AromaticContact CD2-NE2 3.94Å; W110-H122 AromaticContact CE2-CD2 3.2Å; W110-H122 AromaticContact CE2-NE2 3.17Å; W110-H122 AromaticContact CG-CD2 3.58Å; W110-H122 AromaticContact CZ2-CD2 3.8Å; W110-H122 AromaticContact CZ2-NE2 3.26Å; W110-H122 VanDerWaalsContact CZ2-NE2 3.26Å; W110-H122 WeakPolarHBondContact CZ2-NE2 3.4Å; W110-H122 AromaticContact NE1-CD2 3.01Å; W110-H122 PolarHBondContact NE1-CD2 2.85Å; W110-H122 AromaticContact NE1-CG 3.85Å; W110-H122 AromaticContact NE1-NE2 3.22Å; W110-H122 PolarHBondContact NE1-NE2 3.44Å; W110-Y187 HydrophobicContact CZ3-CD1 4.42Å; W110-Y187 HydrophobicContact CZ3-CE1 4.47Å; W110-Y189 HydrophobicContact CE3-CE2 4.1Å; W110-Y189 HydrophobicContact CZ3-CE2 4.17Å
111	Y	97.7	Very high	95.6	Very high	47 Å²	47	80.8 Å²	80.8	18%	0.184	39%	0.393	C	S	.	.			trans	-88.9	143.5	179.8	-62.4	-77.7	0	0	0	110.5	H122 W123 Y161 S163	Y111-H122 HydrophobicContact CD1-CB 3.85Å; Y111-H122 HydrophobicContact CE1-CB 4.09Å; Y111-H122 AromaticContact CE1-CG 3.78Å; Y111-H122 AromaticContact CE1-ND1 3.74Å; Y111-W123 AromaticContact CD1-CD2 3.8Å; Y111-W123 HydrophobicContact CD1-CD2 3.8Å; Y111-W123 AromaticContact CD1-CE2 3.48Å; Y111-W123 VanDerWaalsContact CD1-CE2 3.48Å; Y111-W123 HydrophobicContact CD1-CE3 4.09Å; Y111-W123 HydrophobicContact CD1-CG 4.44Å; Y111-W123 AromaticContact CD1-CH2 3.77Å; Y111-W123 HydrophobicContact CD1-CH2 3.77Å; Y111-W123 AromaticContact CD1-CZ2 3.48Å; Y111-W123 HydrophobicContact CD1-CZ2 3.48Å; Y111-W123 VanDerWaalsContact CD1-CZ2 3.48Å; Y111-W123 HydrophobicContact CD1-CZ3 4.08Å; Y111-W123 AromaticContact CD1-NE1 3.99Å; Y111-W123 HydrophobicContact CD2-CZ2 4.47Å; Y111-W123 HydrophobicContact CE1-CD2 4.38Å; Y111-W123 HydrophobicContact CE1-CE3 4.22Å; Y111-W123 AromaticContact CE1-CH2 3.9Å; Y111-W123 HydrophobicContact CE1-CH2 3.9Å; Y111-W123 HydrophobicContact CE1-CZ2 4.11Å; Y111-W123 AromaticContact CE1-CZ3 3.98Å; Y111-W123 HydrophobicContact CE1-CZ3 3.98Å; Y111-W123 AromaticContact CG-CE2 3.92Å; Y111-W123 HydrophobicContact CG-CH2 4.25Å; Y111-W123 AromaticContact CG-CZ2 3.7Å; Y111-W123 HydrophobicContact CG-CZ2 3.7Å; Y111-Y161 AromaticContact CD2-CE2 3.94Å; Y111-Y161 HydrophobicContact CD2-CE2 3.94Å; Y111-Y161 HydrophobicContact CG-CE2 4.13Å; Y111-S163 PolarHBondContact N-OG 3.05Å; Y111-S163 VanDerWaalsContact N-OG 3.13Å; Y111-S163 WeakPolarHBondContact O-CB 3.05Å; Y111-S163 PolarHBondContact O-N 2.85Å; Y111-S163 PolarHBondContact O-OG 3.29Å
112	G	97.4	Very high	95.9	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-149.8	154.5	-179.1	0	0	0	0	0	113	D117 Y120 I121 W123	G112-D117 WeakPolarHBondContact CA-OD2 3Å; G112-Y120 WeakPolarHBondContact O-CA 3.5Å; G112-I121 PolarHBondContact N-O 2.95Å; G112-I121 VanDerWaalsContact N-O 3.09Å; G112-I121 PolarHBondContact O-N 3.14Å; G112-W123 VanDerWaalsContact O-CD1 3.29Å
113	N	97.5	Very high	96.1	Very high	17 Å²	17	69 Å²	69	9%	0.091	34%	0.342	C	S	.	.			trans	-135.9	164.4	-177.7	73.6	17.9	0	0	0	112.3	Q115 F116 D117 G118 K119 Y120 S160 S162	N113-Q115 PolarHBondContact O-N 3.22Å; N113-Q115 VanDerWaalsContact O-N 3.14Å; N113-Q115 PolarHBondContact OD1-N 3.2Å; N113-F116 PolarHBondContact O-N 2.99Å; N113-F116 PolarHBondContact OD1-N 3.5Å; N113-D117 PolarHBondContact N-OD2 3.38Å; N113-D117 WeakPolarHBondContact O-CA 3.4Å; N113-D117 WeakPolarHBondContact O-CB 3.49Å; N113-D117 PolarHBondContact O-N 2.95Å; N113-G118 PolarHBondContact O-N 2.67Å; N113-K119 CarbonylContact C-O 2.94Å; N113-K119 VanDerWaalsContact C-O 3.27Å; N113-K119 PolarHBondContact N-O 3.14Å; N113-Y120 HydrophobicContact CB-CD1 4.17Å; N113-Y120 HydrophobicContact CB-CE1 4Å; N113-S160 WeakPolarHBondContact CB-O 3.33Å; N113-S160 PolarHBondContact ND2-O 3.26Å; N113-S162 PolarHBondContact ND2-N 3.1Å
114	P	97.4	Very high	96.4	Very high	64 Å²	64	67 Å²	67	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-57.5	-29.6	-178.2	-28	36	0	0	0	114.8	G118 Y120	P114-G118 VanDerWaalsContact O-CA 3.3Å; P114-G118 WeakPolarHBondContact O-CA 3.25Å; P114-G118 PolarHBondContact O-N 2.87Å; P114-Y120 VanDerWaalsContact CD-CE1 3.4Å; P114-Y120 HydrophobicContact CG-CD2 3.78Å; P114-Y120 HydrophobicContact CG-CE1 4.25Å; P114-Y120 HydrophobicContact CG-CE2 3.47Å; P114-Y120 VanDerWaalsContact CG-CE2 3.47Å; P114-Y120 HydrophobicContact CG-CG 4.29Å
115	Q	96.6	Very high	96.6	Very high	161 Å²	161	65 Å²	65	75%	0.752	32%	0.322	S	S	*	.	H	α-helix	trans	-71.7	-43.9	-176.8	-178.3	179.1	-10.7	0	0	112.9	N113	N113-Q115 PolarHBondContact O-N 3.22Å; N113-Q115 VanDerWaalsContact O-N 3.14Å; N113-Q115 PolarHBondContact OD1-N 3.2Å
116	F	96.8	Very high	96.7	Very high	77 Å²	77	64.8 Å²	64.8	34%	0.338	32%	0.323	S	S	.	.	H	α-helix	trans	-102.7	-25.2	-176.5	-72.7	-93.8	0	0	0	113.7	N113 S162 D165	N113-F116 PolarHBondContact O-N 2.99Å; N113-F116 PolarHBondContact OD1-N 3.5Å; F116-S162 WeakPolarHBondContact CB-OG 3.36Å; F116-D165 HydrophobicContact CD1-CB 4.2Å; F116-D165 HydrophobicContact CD2-CB 4.07Å; F116-D165 HydrophobicContact CE1-CB 3.9Å; F116-D165 HydrophobicContact CE2-CB 3.76Å; F116-D165 WeakPolarHBondContact CE2-OD2 3.46Å; F116-D165 HydrophobicContact CG-CB 4.28Å; F116-D165 HydrophobicContact CZ-CB 3.67Å; F116-D165 VanDerWaalsContact CZ-OD2 3.3Å; F116-D165 WeakPolarHBondContact CZ-OD2 3.44Å
117	D	96.4	Very high	96.7	Very high	44 Å²	44	59.4 Å²	59.4	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-119.3	-4.5	-171.9	-53.4	-91.5	0	0	0	113.2	G112 N113 K119 I121 S162 R164	G112-D117 WeakPolarHBondContact CA-OD2 3Å; N113-D117 PolarHBondContact N-OD2 3.38Å; N113-D117 WeakPolarHBondContact O-CA 3.4Å; N113-D117 WeakPolarHBondContact O-CB 3.49Å; N113-D117 PolarHBondContact O-N 2.95Å; D117-K119 PolarHBondContact O-N 2.72Å; D117-K119 VanDerWaalsContact O-N 3.14Å; D117-I121 HydrophobicContact CB-CD1 3.91Å; D117-S162 WeakPolarHBondContact OD2-CB 3.33Å; D117-S162 PolarHBondContact OD2-OG 2.93Å; D117-R164 WeakPolarHBondContact OD1-CD 3.46Å
118	G	97.1	Very high	96.7	Very high	65 Å²	65	64.7 Å²	64.7	67%	0.67	33%	0.332	S	S	*	.	S	Bend	trans	74.3	-8.8	-177.5	0	0	0	0	0	114.8	N113 P114	N113-G118 PolarHBondContact O-N 2.67Å; P114-G118 VanDerWaalsContact O-CA 3.3Å; P114-G118 WeakPolarHBondContact O-CA 3.25Å; P114-G118 PolarHBondContact O-N 2.87Å
119	K	96.8	Very high	96.6	Very high	139 Å²	139	67 Å²	67	60%	0.604	35%	0.347	S	S	*	.	S	Bend	trans	-158.4	162.5	174.7	62.6	-174.8	177.9	-175.8	0	110.9	N113 D117 I121	N113-K119 CarbonylContact C-O 2.94Å; N113-K119 VanDerWaalsContact C-O 3.27Å; N113-K119 PolarHBondContact N-O 3.14Å; D117-K119 PolarHBondContact O-N 2.72Å; D117-K119 VanDerWaalsContact O-N 3.14Å; K119-I121 HydrophobicContact CG-CG1 4.15Å
120	Y	97.4	Very high	96.6	Very high	56 Å²	56	67.7 Å²	67.7	22%	0.22	34%	0.344	C	S	.	.			trans	-67.9	133.5	167	-69.5	-71.7	0	0	0	111.1	G112 N113 P114 W123 N124 P146	G112-Y120 WeakPolarHBondContact O-CA 3.5Å; N113-Y120 HydrophobicContact CB-CD1 4.17Å; N113-Y120 HydrophobicContact CB-CE1 4Å; P114-Y120 VanDerWaalsContact CD-CE1 3.4Å; P114-Y120 HydrophobicContact CG-CD2 3.78Å; P114-Y120 HydrophobicContact CG-CE1 4.25Å; P114-Y120 HydrophobicContact CG-CE2 3.47Å; P114-Y120 VanDerWaalsContact CG-CE2 3.47Å; P114-Y120 HydrophobicContact CG-CG 4.29Å; Y120-W123 HydrophobicContact CD1-CB 4.32Å; Y120-N124 VanDerWaalsContact O-CG 3.31Å; Y120-N124 PolarHBondContact O-ND2 2.9Å; Y120-N124 PolarHBondContact O-OD1 2.77Å; Y120-N124 VanDerWaalsContact O-OD1 3.14Å; Y120-P146 HydrophobicContact CD1-CB 3.72Å; Y120-P146 HydrophobicContact CD1-CG 4.13Å; Y120-P146 HydrophobicContact CD2-CB 3.93Å; Y120-P146 HydrophobicContact CD2-CG 4.27Å; Y120-P146 HydrophobicContact CE1-CB 3.73Å; Y120-P146 HydrophobicContact CE2-CB 3.93Å; Y120-P146 HydrophobicContact CG-CB 3.82Å; Y120-P146 HydrophobicContact CG-CG 3.94Å
121	I	97.4	Very high	96.6	Very high	65 Å²	65	74 Å²	74	33%	0.333	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-126.6	131.6	175.4	-52.7	174.1	0	0	0	107.4	W110 G112 D117 K119 W123	W110-I121 WeakPolarHBondContact O-CG2 3.36Å; G112-I121 PolarHBondContact N-O 2.95Å; G112-I121 VanDerWaalsContact N-O 3.09Å; G112-I121 PolarHBondContact O-N 3.14Å; D117-I121 HydrophobicContact CB-CD1 3.91Å; K119-I121 HydrophobicContact CG-CG1 4.15Å; I121-W123 PolarHBondContact O-N 3.39Å
122	H	97.1	Very high	96.5	Very high	50 Å²	50	72.5 Å²	72.5	23%	0.231	36%	0.363	C	S	.	.	S	Bend	trans	63.7	-35.7	-176.6	-158.3	-43.1	0	0	0	115.4	W110 Y111 N124 H125	W110-H122 AromaticContact CD1-CD2 3.25Å; W110-H122 AromaticContact CD1-CG 3.9Å; W110-H122 AromaticContact CD1-NE2 3.96Å; W110-H122 AromaticContact CD2-CD2 3.53Å; W110-H122 AromaticContact CD2-NE2 3.94Å; W110-H122 AromaticContact CE2-CD2 3.2Å; W110-H122 AromaticContact CE2-NE2 3.17Å; W110-H122 AromaticContact CG-CD2 3.58Å; W110-H122 AromaticContact CZ2-CD2 3.8Å; W110-H122 AromaticContact CZ2-NE2 3.26Å; W110-H122 VanDerWaalsContact CZ2-NE2 3.26Å; W110-H122 WeakPolarHBondContact CZ2-NE2 3.4Å; W110-H122 AromaticContact NE1-CD2 3.01Å; W110-H122 PolarHBondContact NE1-CD2 2.85Å; W110-H122 AromaticContact NE1-CG 3.85Å; W110-H122 AromaticContact NE1-NE2 3.22Å; W110-H122 PolarHBondContact NE1-NE2 3.44Å; Y111-H122 HydrophobicContact CD1-CB 3.85Å; Y111-H122 HydrophobicContact CE1-CB 4.09Å; Y111-H122 AromaticContact CE1-CG 3.78Å; Y111-H122 AromaticContact CE1-ND1 3.74Å; H122-N124 VanDerWaalsContact C-N 3.26Å; H122-N124 PolarHBondContact O-N 3.48Å; H122-H125 WeakPolarHBondContact O-CB 3.33Å; H122-H125 PolarHBondContact O-N 3.21Å
123	W	97.7	Very high	96.4	Very high	9 Å²	9	77.1 Å²	77.1	3%	0.034	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-39	172.8	-63.1	121.5	0	0	0	112.2	Y111 G112 Y120 I121 H125 P146 I150 G151 P156 Y161	Y111-W123 AromaticContact CD1-CD2 3.8Å; Y111-W123 HydrophobicContact CD1-CD2 3.8Å; Y111-W123 AromaticContact CD1-CE2 3.48Å; Y111-W123 VanDerWaalsContact CD1-CE2 3.48Å; Y111-W123 HydrophobicContact CD1-CE3 4.09Å; Y111-W123 HydrophobicContact CD1-CG 4.44Å; Y111-W123 AromaticContact CD1-CH2 3.77Å; Y111-W123 HydrophobicContact CD1-CH2 3.77Å; Y111-W123 AromaticContact CD1-CZ2 3.48Å; Y111-W123 HydrophobicContact CD1-CZ2 3.48Å; Y111-W123 VanDerWaalsContact CD1-CZ2 3.48Å; Y111-W123 HydrophobicContact CD1-CZ3 4.08Å; Y111-W123 AromaticContact CD1-NE1 3.99Å; Y111-W123 HydrophobicContact CD2-CZ2 4.47Å; Y111-W123 HydrophobicContact CE1-CD2 4.38Å; Y111-W123 HydrophobicContact CE1-CE3 4.22Å; Y111-W123 AromaticContact CE1-CH2 3.9Å; Y111-W123 HydrophobicContact CE1-CH2 3.9Å; Y111-W123 HydrophobicContact CE1-CZ2 4.11Å; Y111-W123 AromaticContact CE1-CZ3 3.98Å; Y111-W123 HydrophobicContact CE1-CZ3 3.98Å; Y111-W123 AromaticContact CG-CE2 3.92Å; Y111-W123 HydrophobicContact CG-CH2 4.25Å; Y111-W123 AromaticContact CG-CZ2 3.7Å; Y111-W123 HydrophobicContact CG-CZ2 3.7Å; G112-W123 VanDerWaalsContact O-CD1 3.29Å; Y120-W123 HydrophobicContact CD1-CB 4.32Å; I121-W123 PolarHBondContact O-N 3.39Å; W123-H125 PolarHBondContact O-N 3.02Å; W123-P146 HydrophobicContact CB-CB 4.19Å; W123-P146 HydrophobicContact CB-CG 3.57Å; W123-I150 HydrophobicContact CB-CG2 4.44Å; W123-I150 HydrophobicContact CE3-CB 4.25Å; W123-I150 HydrophobicContact CE3-CD1 4.19Å; W123-I150 HydrophobicContact CE3-CG2 4.34Å; W123-I150 HydrophobicContact CZ3-CD1 4.15Å; W123-G151 PolarHBondContact O-N 2.94Å; W123-P156 HydrophobicContact CH2-CG 3.56Å; W123-P156 HydrophobicContact CZ3-CG 3.86Å; W123-Y161 HydrophobicContact CH2-CD1 4.25Å; W123-Y161 AromaticContact CH2-CE1 3.82Å; W123-Y161 HydrophobicContact CH2-CE1 3.82Å; W123-Y161 AromaticContact CZ2-CD1 3.73Å; W123-Y161 HydrophobicContact CZ2-CD1 3.73Å; W123-Y161 HydrophobicContact CZ2-CD2 4.19Å; W123-Y161 AromaticContact CZ2-CE1 3.62Å; W123-Y161 HydrophobicContact CZ2-CE1 3.62Å; W123-Y161 HydrophobicContact CZ2-CE2 4.08Å; W123-Y161 HydrophobicContact CZ2-CG 4.03Å; W123-Y161 AromaticContact CZ2-CZ 3.8Å; W123-Y161 PolarHBondContact NE1-O 3.46Å
124	N	96.9	Very high	96.3	Very high	35 Å²	35	84.9 Å²	84.9	19%	0.187	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	37.5	176.2	64.8	-13.4	0	0	0	112.1	Y120 H122 R143 H144 P146	Y120-N124 VanDerWaalsContact O-CG 3.31Å; Y120-N124 PolarHBondContact O-ND2 2.9Å; Y120-N124 PolarHBondContact O-OD1 2.77Å; Y120-N124 VanDerWaalsContact O-OD1 3.14Å; H122-N124 VanDerWaalsContact C-N 3.26Å; H122-N124 PolarHBondContact O-N 3.48Å; N124-R143 PolarHBondContact O-NE 3.17Å; N124-R143 PolarHBondContact O-NH2 3.26Å; N124-R143 PolarHBondContact OD1-NH2 3.24Å; N124-H144 WeakPolarHBondContact CA-O 3.43Å; N124-H144 WeakPolarHBondContact CB-O 3.32Å; N124-P146 HydrophobicContact CB-CG 3.99Å
125	H	96.7	Very high	96.1	Very high	65 Å²	65	84.7 Å²	84.7	30%	0.301	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-56.9	142.5	-177	-161.5	-88.2	0	0	0	111	H122 W123 H144	H122-H125 WeakPolarHBondContact O-CB 3.33Å; H122-H125 PolarHBondContact O-N 3.21Å; W123-H125 PolarHBondContact O-N 3.02Å; H125-H144 PolarHBondContact O-CD2 3.03Å; H125-H144 VanDerWaalsContact O-CD2 3.22Å; H125-H144 PolarHBondContact O-N 3.02Å
126	P	96.2	Very high	95.9	Very high	44 Å²	44	77.4 Å²	77.4	29%	0.286	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-68.6	144.6	170	28.9	-32.8	0	0	0	110.9	L128 G142 R143	P126-L128 PolarHBondContact O-N 2.81Å; P126-G142 CarbonylContact C-O 3.49Å; P126-G142 VanDerWaalsContact CA-O 3.31Å; P126-G142 WeakPolarHBondContact CA-O 3.28Å; P126-R143 HydrophobicContact CB-CG 4.11Å
127	V	95.3	Very high	95.8	Very high	49 Å²	49	81.4 Å²	81.4	30%	0.297	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-66	127.6	166.6	-174.5	0	0	0	0	107.7	E129 P140 G142	V127-E129 PolarHBondContact O-N 2.95Å; V127-P140 WeakPolarHBondContact CG1-O 3.41Å; V127-G142 PolarHBondContact N-O 3.43Å
128	L	94.6	Very high	95.7	Very high	141 Å²	141	85 Å²	85	74%	0.738	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-74.3	125.6	-179.1	-65.1	179.1	0	0	0	109.7	P126	P126-L128 PolarHBondContact O-N 2.81Å
129	E	94.3	Very high	95.5	Very high	146 Å²	146	88.7 Å²	88.7	68%	0.682	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-66.5	139.2	175.8	-73.1	-179.6	-165	0	0	111.1	V127 Q141	V127-E129 PolarHBondContact O-N 2.95Å; E129-Q141 VanDerWaalsContact CG-OE1 3.24Å
130	H	96	Very high	95.3	Very high	68 Å²	68	86.7 Å²	86.7	32%	0.315	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-66.4	140.4	169.2	-174.1	-85.3	0	0	0	109.6	D132 I135 A136	H130-D132 PolarHBondContact ND1-N 2.94Å; H130-D132 PolarHBondContact ND1-O 3.42Å; H130-D132 PolarHBondContact O-N 3.06Å; H130-I135 HydrophobicContact CB-CG2 4.14Å; H130-A136 HydrophobicContact CB-CB 4.19Å
131	W	95.8	Very high	95.1	Very high	212 Å²	212	88.3 Å²	88.3	80%	0.803	43%	0.425	S	S	*	.	S	Bend	trans	-59.9	-30.1	-175.8	67.5	-90.4	0	0	0	114.1	P133	W131-P133 WeakPolarHBondContact O-CD 3.33Å
132	D	96.2	Very high	94.9	Very high	15 Å²	15	87.2 Å²	87.2	8%	0.08	43%	0.429	C	S	.	.	S	Bend	trans	-87.5	114.8	170	-173.4	-20.3	0	0	0	110.6	H130 R134 I135 A136	H130-D132 PolarHBondContact ND1-N 2.94Å; H130-D132 PolarHBondContact ND1-O 3.42Å; H130-D132 PolarHBondContact O-N 3.06Å; D132-R134 PolarHBondContact O-N 2.89Å; D132-R134 VanDerWaalsContact O-N 3.16Å; D132-R134 VanDerWaalsContact OD1-CB 3.28Å; D132-R134 WeakPolarHBondContact OD1-CB 3.04Å; D132-R134 WeakPolarHBondContact OD1-CG 3.2Å; D132-R134 IonicContact OD1-CZ 3.36Å; D132-R134 PolarHBondContact OD1-N 3.17Å; D132-R134 IonicContact OD1-NE 3.17Å; D132-R134 PolarHBondContact OD1-NE 2.82Å; D132-R134 IonicContact OD1-NH2 2.72Å; D132-R134 IonicContact OD2-CZ 2.78Å; D132-R134 IonicContact OD2-NE 3.71Å; D132-R134 PolarHBondContact OD2-NE 2.91Å; D132-R134 VanDerWaalsContact OD2-NE 3.17Å; D132-R134 IonicContact OD2-NH2 3.74Å; D132-R134 PolarHBondContact OD2-NH2 3.3Å; D132-I135 HydrophobicContact CB-CB 4.34Å; D132-I135 HydrophobicContact CB-CD1 4.15Å; D132-I135 HydrophobicContact CB-CG1 4.27Å; D132-I135 PolarHBondContact O-N 3.13Å; D132-A136 PolarHBondContact O-N 3.22Å
133	P	94.1	Very high	94.8	Very high	98 Å²	98	91.8 Å²	91.8	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-60.2	-27.7	-179.2	-24	34.2	0	0	0	114	W131 I135 A136 K137	W131-P133 WeakPolarHBondContact O-CD 3.33Å; P133-I135 PolarHBondContact O-N 3.09Å; P133-A136 PolarHBondContact O-N 3.01Å; P133-K137 PolarHBondContact O-N 3.43Å
134	R	95.2	Very high	94.8	Very high	180 Å²	180	93.8 Å²	93.8	68%	0.679	46%	0.455	S	S	*	.	H	α-helix	trans	-69	-27.2	179.4	-59	172.6	-65.9	-176.8	2.7	111.8	D132 K137	D132-R134 PolarHBondContact O-N 2.89Å; D132-R134 VanDerWaalsContact O-N 3.16Å; D132-R134 VanDerWaalsContact OD1-CB 3.28Å; D132-R134 WeakPolarHBondContact OD1-CB 3.04Å; D132-R134 WeakPolarHBondContact OD1-CG 3.2Å; D132-R134 IonicContact OD1-CZ 3.36Å; D132-R134 PolarHBondContact OD1-N 3.17Å; D132-R134 IonicContact OD1-NE 3.17Å; D132-R134 PolarHBondContact OD1-NE 2.82Å; D132-R134 IonicContact OD1-NH2 2.72Å; D132-R134 IonicContact OD2-CZ 2.78Å; D132-R134 IonicContact OD2-NE 3.71Å; D132-R134 PolarHBondContact OD2-NE 2.91Å; D132-R134 VanDerWaalsContact OD2-NE 3.17Å; D132-R134 IonicContact OD2-NH2 3.74Å; D132-R134 PolarHBondContact OD2-NH2 3.3Å; R134-K137 VanDerWaalsContact O-CE 3.24Å; R134-K137 WeakPolarHBondContact O-CE 3.45Å; R134-K137 WeakPolarHBondContact O-CG 3.32Å
135	I	93.6	Very high	94.8	Very high	60 Å²	60	98.1 Å²	98.1	31%	0.308	48%	0.478	S	S	.	.	H	α-helix	trans	-89.2	-42.2	176.6	-65.5	177.2	0	0	0	109.3	H130 D132 P133 K137 N138 Y139	H130-I135 HydrophobicContact CB-CG2 4.14Å; D132-I135 HydrophobicContact CB-CB 4.34Å; D132-I135 HydrophobicContact CB-CD1 4.15Å; D132-I135 HydrophobicContact CB-CG1 4.27Å; D132-I135 PolarHBondContact O-N 3.13Å; P133-I135 PolarHBondContact O-N 3.09Å; I135-K137 PolarHBondContact O-N 2.91Å; I135-N138 WeakPolarHBondContact O-CB 3.48Å; I135-N138 PolarHBondContact O-N 3.34Å; I135-Y139 HydrophobicContact CG2-CD2 4.1Å; I135-Y139 HydrophobicContact CG2-CE2 3.53Å; I135-Y139 WeakPolarHBondContact O-CD2 3.38Å
136	A	93.4	Very high	94.7	Very high	7 Å²	7	95.4 Å²	95.4	6%	0.058	47%	0.466	C	S	.	.	H	α-helix	trans	-53.6	-38.7	-178.6	0	0	0	0	0	113.4	H130 D132 P133 N138 Y139 Q141	H130-A136 HydrophobicContact CB-CB 4.19Å; D132-A136 PolarHBondContact O-N 3.22Å; P133-A136 PolarHBondContact O-N 3.01Å; A136-N138 PolarHBondContact O-N 3.5Å; A136-N138 VanDerWaalsContact O-N 3.1Å; A136-Y139 PolarHBondContact O-N 3.24Å; A136-Y139 VanDerWaalsContact O-N 3.08Å; A136-Q141 PolarHBondContact O-NE2 2.95Å
137	K	93.1	Very high	94.7	Very high	162 Å²	162	96 Å²	96	70%	0.704	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.5	178.1	76.7	-176.7	-175.7	171.8	0	114.6	P133 R134 I135	P133-K137 PolarHBondContact O-N 3.43Å; R134-K137 VanDerWaalsContact O-CE 3.24Å; R134-K137 WeakPolarHBondContact O-CE 3.45Å; R134-K137 WeakPolarHBondContact O-CG 3.32Å; I135-K137 PolarHBondContact O-N 2.91Å
138	N	94.9	Very high	94.7	Very high	120 Å²	120	100.7 Å²	100.7	64%	0.642	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.8	-178.1	-59.6	-29	0	0	0	112.4	I135 A136	I135-N138 WeakPolarHBondContact O-CB 3.48Å; I135-N138 PolarHBondContact O-N 3.34Å; A136-N138 PolarHBondContact O-N 3.5Å; A136-N138 VanDerWaalsContact O-N 3.1Å
139	Y	93.5	Very high	94.8	Very high	141 Å²	141	97.5 Å²	97.5	55%	0.553	48%	0.477	S	S	*	.	S	Bend	trans	-108.9	155	-179.3	-69.9	-78	0	0	0	111.5	I135 A136	I135-Y139 HydrophobicContact CG2-CD2 4.1Å; I135-Y139 HydrophobicContact CG2-CE2 3.53Å; I135-Y139 WeakPolarHBondContact O-CD2 3.38Å; A136-Y139 PolarHBondContact O-N 3.24Å; A136-Y139 VanDerWaalsContact O-N 3.08Å
140	P	92	Very high	95	Very high	97 Å²	97	91 Å²	91	63%	0.63	45%	0.447	S	S	*	.			trans	-54.2	142.2	173.5	-24.6	34.3	0	0	0	111.8	V127	V127-P140 WeakPolarHBondContact CG1-O 3.41Å
141	Q	92.3	Very high	95	Very high	90 Å²	90	89.2 Å²	89.2	42%	0.421	45%	0.447	S	S	.	.			trans	-123.4	157.4	179.7	-63.3	-59.4	-31.6	0	0	109.7	E129 A136	E129-Q141 VanDerWaalsContact CG-OE1 3.24Å; A136-Q141 PolarHBondContact O-NE2 2.95Å
142	G	93.4	Very high	95	Very high	42 Å²	42	82 Å²	82	43%	0.433	43%	0.428	S	S	.	.	S	Bend	trans	107.6	-154.1	177.1	0	0	0	0	0	113.2	P126 V127	P126-G142 CarbonylContact C-O 3.49Å; P126-G142 VanDerWaalsContact CA-O 3.31Å; P126-G142 WeakPolarHBondContact CA-O 3.28Å; V127-G142 PolarHBondContact N-O 3.43Å
143	R	95.9	Very high	95.1	Very high	146 Å²	146	87.2 Å²	87.2	55%	0.551	47%	0.466	S	S	*	.	B	Isolated β-bridge	trans	-121.9	147.5	-177.4	-58.4	-175.7	71.4	96.2	-1.2	109.9	N124 P126	N124-R143 PolarHBondContact O-NE 3.17Å; N124-R143 PolarHBondContact O-NH2 3.26Å; N124-R143 PolarHBondContact OD1-NH2 3.24Å; P126-R143 HydrophobicContact CB-CG 4.11Å
144	H	96.8	Very high	95.2	Very high	52 Å²	52	90.8 Å²	90.8	24%	0.241	47%	0.472	C	S	.	.			trans	-61.1	147.8	169	-69	-77.6	0	0	0	111.2	N124 H125 P146 D149 I150 G151	N124-H144 WeakPolarHBondContact CA-O 3.43Å; N124-H144 WeakPolarHBondContact CB-O 3.32Å; H125-H144 PolarHBondContact O-CD2 3.03Å; H125-H144 VanDerWaalsContact O-CD2 3.22Å; H125-H144 PolarHBondContact O-N 3.02Å; H144-P146 VanDerWaalsContact O-CD 3.28Å; H144-P146 WeakPolarHBondContact O-CD 3.43Å; H144-D149 VanDerWaalsContact CA-OD2 3.29Å; H144-D149 WeakPolarHBondContact CA-OD2 3.36Å; H144-D149 WeakPolarHBondContact CB-O 3.23Å; H144-D149 IonicContact CE1-OD1 3.91Å; H144-D149 IonicContact CG-OD1 3.88Å; H144-D149 IonicContact ND1-OD1 3.06Å; H144-D149 PolarHBondContact ND1-OD1 2.98Å; H144-D149 IonicContact ND1-OD2 3.73Å; H144-I150 PolarHBondContact ND1-O 3.45Å; H144-G151 WeakPolarHBondContact CD2-CA 3.4Å
145	N	96.6	Very high	95.3	Very high	126 Å²	126	87.9 Å²	87.9	67%	0.674	46%	0.462	S	S	*	.			trans	-114.6	83.7	179.8	-171.3	48.2	0	0	0	113.2	D149	N145-D149 CarbonylContact C-O 3.52Å; N145-D149 PolarHBondContact N-O 2.89Å; N145-D149 VanDerWaalsContact N-O 3.07Å; N145-D149 PolarHBondContact N-OD2 3.21Å; N145-D149 PolarHBondContact O-N 3.3Å
146	P	96.5	Very high	95.5	Very high	8 Å²	8	86.6 Å²	86.6	5%	0.052	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	154	178.4	-21.9	32.7	0	0	0	112.1	Y120 W123 N124 H144 D149 I150	Y120-P146 HydrophobicContact CD1-CB 3.72Å; Y120-P146 HydrophobicContact CD1-CG 4.13Å; Y120-P146 HydrophobicContact CD2-CB 3.93Å; Y120-P146 HydrophobicContact CD2-CG 4.27Å; Y120-P146 HydrophobicContact CE1-CB 3.73Å; Y120-P146 HydrophobicContact CE2-CB 3.93Å; Y120-P146 HydrophobicContact CG-CB 3.82Å; Y120-P146 HydrophobicContact CG-CG 3.94Å; W123-P146 HydrophobicContact CB-CB 4.19Å; W123-P146 HydrophobicContact CB-CG 3.57Å; N124-P146 HydrophobicContact CB-CG 3.99Å; H144-P146 VanDerWaalsContact O-CD 3.28Å; H144-P146 WeakPolarHBondContact O-CD 3.43Å; P146-D149 WeakPolarHBondContact CA-O 3.5Å; P146-D149 WeakPolarHBondContact CD-O 3.37Å; P146-I150 HydrophobicContact CB-CG2 4.09Å; P146-I150 HydrophobicContact CG-CG2 4.24Å
147	P	94.9	Very high	95.7	Very high	57 Å²	57	95.5 Å²	95.5	37%	0.37	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.8	-27	14.7	32.5	-35.4	0	0	0	114.9	I150 Y155	P147-I150 WeakPolarHBondContact O-CG2 3.48Å; P147-Y155 VanDerWaalsContact O-CE2 3.28Å; P147-Y155 WeakPolarHBondContact O-CE2 3.39Å; P147-Y155 PolarHBondContact O-OH 3.43Å
148	D	96.2	Very high	95.9	Very high	147 Å²	147	91 Å²	91	79%	0.786	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-30.9	-170	-59.2	-38.6	0	0	0	113.2
149	D	96.8	Very high	96	Very high	73 Å²	73	85.9 Å²	85.9	39%	0.39	46%	0.457	S	S	.	.	S	Bend	trans	-109.5	102.5	175.8	171.3	35.5	0	0	0	109.9	H144 N145 P146	H144-D149 VanDerWaalsContact CA-OD2 3.29Å; H144-D149 WeakPolarHBondContact CA-OD2 3.36Å; H144-D149 WeakPolarHBondContact CB-O 3.23Å; H144-D149 IonicContact CE1-OD1 3.91Å; H144-D149 IonicContact CG-OD1 3.88Å; H144-D149 IonicContact ND1-OD1 3.06Å; H144-D149 PolarHBondContact ND1-OD1 2.98Å; H144-D149 IonicContact ND1-OD2 3.73Å; N145-D149 CarbonylContact C-O 3.52Å; N145-D149 PolarHBondContact N-O 2.89Å; N145-D149 VanDerWaalsContact N-O 3.07Å; N145-D149 PolarHBondContact N-OD2 3.21Å; N145-D149 PolarHBondContact O-N 3.3Å; P146-D149 WeakPolarHBondContact CA-O 3.5Å; P146-D149 WeakPolarHBondContact CD-O 3.37Å
150	I	97.7	Very high	96.2	Very high	10 Å²	10	79.9 Å²	79.9	5%	0.051	44%	0.435	C	S	.	.			trans	-113.6	153.7	-179.6	62.1	168.6	0	0	0	111.4	W123 H144 P146 P147 S152 Y155	W123-I150 HydrophobicContact CB-CG2 4.44Å; W123-I150 HydrophobicContact CE3-CB 4.25Å; W123-I150 HydrophobicContact CE3-CD1 4.19Å; W123-I150 HydrophobicContact CE3-CG2 4.34Å; W123-I150 HydrophobicContact CZ3-CD1 4.15Å; H144-I150 PolarHBondContact ND1-O 3.45Å; P146-I150 HydrophobicContact CB-CG2 4.09Å; P146-I150 HydrophobicContact CG-CG2 4.24Å; P147-I150 WeakPolarHBondContact O-CG2 3.48Å; I150-S152 PolarHBondContact O-N 3.04Å; I150-Y155 HydrophobicContact CD1-CD2 3.45Å; I150-Y155 VanDerWaalsContact CD1-CD2 3.45Å; I150-Y155 HydrophobicContact CD1-CE2 3.79Å; I150-Y155 HydrophobicContact CD1-CG 4.24Å; I150-Y155 HydrophobicContact CG1-CD2 3.9Å; I150-Y155 HydrophobicContact CG1-CE2 4.1Å; I150-Y155 HydrophobicContact CG2-CE2 4.09Å
151	G	96.1	Very high	96.4	Very high	31 Å²	31	76.8 Å²	76.8	32%	0.32	41%	0.411	S	S	.	.	S	Bend	trans	-72.4	52.4	174.1	0	0	0	0	0	114.4	W123 H144	W123-G151 PolarHBondContact O-N 2.94Å; H144-G151 WeakPolarHBondContact CD2-CA 3.4Å
152	S	96.6	Very high	96.7	Very high	59 Å²	59	72.5 Å²	72.5	41%	0.413	39%	0.391	S	S	.	.	S	Bend	trans	-153.1	142.6	177.6	175.5	0	0	0	0	109.7	I150 F154	I150-S152 PolarHBondContact O-N 3.04Å; S152-F154 VanDerWaalsContact CB-O 3.26Å; S152-F154 WeakPolarHBondContact CB-O 3.44Å; S152-F154 PolarHBondContact O-N 2.96Å; S152-F154 PolarHBondContact OG-N 2.82Å; S152-F154 VanDerWaalsContact OG-N 3.1Å; S152-F154 PolarHBondContact OG-O 3.23Å
153	S	97.1	Very high	96.9	Very high	125 Å²	125	71 Å²	71	87%	0.874	37%	0.374	S	S	*	.	S	Bend	trans	-73.3	-15.8	171.8	-52.3	0	0	0	0	113
154	F	97.6	Very high	96.8	Very high	173 Å²	173	72.4 Å²	72.4	76%	0.759	38%	0.38	S	S	*	.	S	Bend	trans	-117.6	146.1	177.6	-61.4	-86.2	0	0	0	110.6	S152	S152-F154 VanDerWaalsContact CB-O 3.26Å; S152-F154 WeakPolarHBondContact CB-O 3.44Å; S152-F154 PolarHBondContact O-N 2.96Å; S152-F154 PolarHBondContact OG-N 2.82Å; S152-F154 VanDerWaalsContact OG-N 3.1Å; S152-F154 PolarHBondContact OG-O 3.23Å
155	Y	97.4	Very high	96.9	Very high	119 Å²	119	71.2 Å²	71.2	47%	0.467	38%	0.375	S	S	.	.			trans	-102.2	123	178.3	-156.1	-92.7	0	0	0	110.9	P147 I150	P147-Y155 VanDerWaalsContact O-CE2 3.28Å; P147-Y155 WeakPolarHBondContact O-CE2 3.39Å; P147-Y155 PolarHBondContact O-OH 3.43Å; I150-Y155 HydrophobicContact CD1-CD2 3.45Å; I150-Y155 VanDerWaalsContact CD1-CD2 3.45Å; I150-Y155 HydrophobicContact CD1-CE2 3.79Å; I150-Y155 HydrophobicContact CD1-CG 4.24Å; I150-Y155 HydrophobicContact CG1-CD2 3.9Å; I150-Y155 HydrophobicContact CG1-CE2 4.1Å; I150-Y155 HydrophobicContact CG2-CE2 4.09Å
156	P	97.2	Very high	96.9	Very high	34 Å²	34	69.5 Å²	69.5	22%	0.221	37%	0.371	C	S	.	.			trans	-65.7	145.1	177.9	-15.8	27.6	0	0	0	112	W123 L158 G159 Y161	W123-P156 HydrophobicContact CH2-CG 3.56Å; W123-P156 HydrophobicContact CZ3-CG 3.86Å; P156-L158 PolarHBondContact O-N 2.98Å; P156-G159 PolarHBondContact O-N 3.28Å; P156-Y161 HydrophobicContact CB-CD1 4.48Å; P156-Y161 HydrophobicContact CB-CE1 4.26Å; P156-Y161 HydrophobicContact CG-CE1 4.42Å
157	E	97.5	Very high	96.9	Very high	194 Å²	194	72.1 Å²	72.1	91%	0.907	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.2	172.8	-172.4	179.8	165.2	0	0	112.1	G159	E157-G159 PolarHBondContact O-N 2.88Å
158	L	96.6	Very high	97	Very high	66 Å²	66	69.7 Å²	69.7	35%	0.346	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	2.1	175	-64.3	176.4	0	0	0	113.7	P156 Y161 V168 T171	P156-L158 PolarHBondContact O-N 2.98Å; L158-Y161 HydrophobicContact CB-CD1 3.81Å; L158-Y161 HydrophobicContact CB-CG 4.44Å; L158-V168 HydrophobicContact CD1-CG1 4.22Å; L158-T171 HydrophobicContact CD1-CG2 4.04Å; L158-T171 HydrophobicContact CD2-CG2 4.21Å
159	G	97	Very high	97	Very high	13 Å²	13	65.8 Å²	65.8	13%	0.134	35%	0.352	C	S	.	.			trans	65.2	-154.6	-176.9	0	0	0	0	0	113.9	P156 E157 Y161	P156-G159 PolarHBondContact O-N 3.28Å; E157-G159 PolarHBondContact O-N 2.88Å; G159-Y161 WeakPolarHBondContact O-CD1 3.42Å; G159-Y161 PolarHBondContact O-N 3.5Å
160	S	97.2	Very high	97	Very high	15 Å²	15	67.1 Å²	67.1	11%	0.105	36%	0.355	C	S	.	.	S	Bend	trans	-78.7	66.8	175.6	46.7	0	0	0	0	111.3	N113	N113-S160 WeakPolarHBondContact CB-O 3.33Å; N113-S160 PolarHBondContact ND2-O 3.26Å
161	Y	97.8	Very high	96.9	Very high	32 Å²	32	68.6 Å²	68.6	13%	0.125	37%	0.365	C	S	.	.			trans	-70.4	165.5	-174.5	64.6	-105.2	0	0	0	113.7	Y111 W123 P156 L158 G159 V168 H172	Y111-Y161 AromaticContact CD2-CE2 3.94Å; Y111-Y161 HydrophobicContact CD2-CE2 3.94Å; Y111-Y161 HydrophobicContact CG-CE2 4.13Å; W123-Y161 HydrophobicContact CH2-CD1 4.25Å; W123-Y161 AromaticContact CH2-CE1 3.82Å; W123-Y161 HydrophobicContact CH2-CE1 3.82Å; W123-Y161 AromaticContact CZ2-CD1 3.73Å; W123-Y161 HydrophobicContact CZ2-CD1 3.73Å; W123-Y161 HydrophobicContact CZ2-CD2 4.19Å; W123-Y161 AromaticContact CZ2-CE1 3.62Å; W123-Y161 HydrophobicContact CZ2-CE1 3.62Å; W123-Y161 HydrophobicContact CZ2-CE2 4.08Å; W123-Y161 HydrophobicContact CZ2-CG 4.03Å; W123-Y161 AromaticContact CZ2-CZ 3.8Å; W123-Y161 PolarHBondContact NE1-O 3.46Å; P156-Y161 HydrophobicContact CB-CD1 4.48Å; P156-Y161 HydrophobicContact CB-CE1 4.26Å; P156-Y161 HydrophobicContact CG-CE1 4.42Å; L158-Y161 HydrophobicContact CB-CD1 3.81Å; L158-Y161 HydrophobicContact CB-CG 4.44Å; G159-Y161 WeakPolarHBondContact O-CD1 3.42Å; G159-Y161 PolarHBondContact O-N 3.5Å; Y161-V168 HydrophobicContact CD2-CG1 3.55Å; Y161-V168 HydrophobicContact CE2-CG1 4.04Å; Y161-V168 HydrophobicContact CG-CG1 3.87Å; Y161-V168 HydrophobicContact CG-CG2 4.42Å; Y161-H172 AromaticContact CE2-CE1 3.74Å; Y161-H172 AromaticContact CZ-CE1 3.61Å; Y161-H172 AromaticContact CZ-NE2 3.87Å
162	S	97.7	Very high	96.9	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.			trans	-100.2	134.8	167.1	177.7	0	0	0	0	110.7	N113 F116 D117 R164 D165	N113-S162 PolarHBondContact ND2-N 3.1Å; F116-S162 WeakPolarHBondContact CB-OG 3.36Å; D117-S162 WeakPolarHBondContact OD2-CB 3.33Å; D117-S162 PolarHBondContact OD2-OG 2.93Å; S162-R164 PolarHBondContact O-N 3.19Å; S162-R164 PolarHBondContact OG-N 3.27Å; S162-R164 VanDerWaalsContact OG-N 3.1Å; S162-D165 WeakPolarHBondContact O-CB 3.4Å; S162-D165 PolarHBondContact O-N 2.92Å
163	S	96.9	Very high	96.8	Very high	10 Å²	10	68.2 Å²	68.2	7%	0.07	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.3	171.6	-65.7	0	0	0	0	112.9	S109 Y111	S109-S163 VanDerWaalsContact C-CB 3.44Å; S109-S163 VanDerWaalsContact C-OG 3.29Å; S109-S163 VanDerWaalsContact O-CB 3.28Å; S109-S163 WeakPolarHBondContact O-CB 3.26Å; Y111-S163 PolarHBondContact N-OG 3.05Å; Y111-S163 VanDerWaalsContact N-OG 3.13Å; Y111-S163 WeakPolarHBondContact O-CB 3.05Å; Y111-S163 PolarHBondContact O-N 2.85Å; Y111-S163 PolarHBondContact O-OG 3.29Å
164	R	95.3	Very high	96.7	Very high	177 Å²	177	68 Å²	68	67%	0.668	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.5	174.6	-61	175.2	67.4	89.7	-1.6	113.1	D117 S162 P166	D117-R164 WeakPolarHBondContact OD1-CD 3.46Å; S162-R164 PolarHBondContact O-N 3.19Å; S162-R164 PolarHBondContact OG-N 3.27Å; S162-R164 VanDerWaalsContact OG-N 3.1Å; R164-P166 WeakPolarHBondContact O-CD 3.29Å
165	D	97.6	Very high	96.5	Very high	26 Å²	26	64 Å²	64	14%	0.139	31%	0.313	C	S	.	.			trans	-71.6	118.8	178.2	-177	-16.8	0	0	0	109.8	F116 S162 S167 V168 I169	F116-D165 HydrophobicContact CD1-CB 4.2Å; F116-D165 HydrophobicContact CD2-CB 4.07Å; F116-D165 HydrophobicContact CE1-CB 3.9Å; F116-D165 HydrophobicContact CE2-CB 3.76Å; F116-D165 WeakPolarHBondContact CE2-OD2 3.46Å; F116-D165 HydrophobicContact CG-CB 4.28Å; F116-D165 HydrophobicContact CZ-CB 3.67Å; F116-D165 VanDerWaalsContact CZ-OD2 3.3Å; F116-D165 WeakPolarHBondContact CZ-OD2 3.44Å; S162-D165 WeakPolarHBondContact O-CB 3.4Å; S162-D165 PolarHBondContact O-N 2.92Å; D165-S167 PolarHBondContact O-N 3.14Å; D165-S167 WeakPolarHBondContact OD1-CB 3.28Å; D165-S167 PolarHBondContact OD1-N 3.37Å; D165-S167 PolarHBondContact OD1-OG 2.76Å; D165-S167 PolarHBondContact OD2-OG 2.85Å; D165-S167 VanDerWaalsContact OD2-OG 3.13Å; D165-V168 HydrophobicContact CB-CB 4.07Å; D165-V168 HydrophobicContact CB-CG2 3.74Å; D165-V168 WeakPolarHBondContact O-CB 3.28Å; D165-V168 PolarHBondContact O-N 3.47Å; D165-I169 WeakPolarHBondContact O-CG1 3.38Å; D165-I169 PolarHBondContact O-N 2.94Å; D165-I169 VanDerWaalsContact O-N 3.15Å
166	P	96.5	Very high	96.3	Very high	91 Å²	91	59.4 Å²	59.4	59%	0.591	30%	0.296	S	S	*	.	H	α-helix	trans	-58.1	-34	179.1	-24.1	34.7	0	0	0	113.7	R164 V168 I169 E170	R164-P166 WeakPolarHBondContact O-CD 3.29Å; P166-V168 VanDerWaalsContact C-N 3.34Å; P166-I169 PolarHBondContact O-N 2.93Å; P166-E170 WeakPolarHBondContact O-CB 3.43Å; P166-E170 PolarHBondContact O-N 2.95Å
167	S	96.5	Very high	96	Very high	62 Å²	62	62.3 Å²	62.3	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-68.9	-34.7	-178.7	70.1	0	0	0	0	112.3	D165 T171	D165-S167 PolarHBondContact O-N 3.14Å; D165-S167 WeakPolarHBondContact OD1-CB 3.28Å; D165-S167 PolarHBondContact OD1-N 3.37Å; D165-S167 PolarHBondContact OD1-OG 2.76Å; D165-S167 PolarHBondContact OD2-OG 2.85Å; D165-S167 VanDerWaalsContact OD2-OG 3.13Å; S167-T171 WeakPolarHBondContact O-CB 3.31Å; S167-T171 PolarHBondContact O-N 3.28Å; S167-T171 PolarHBondContact O-OG1 3.3Å
168	V	97.2	Very high	95.7	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-46.8	174.1	172.5	0	0	0	0	109.9	L158 Y161 D165 P166 E170 T171 H172	L158-V168 HydrophobicContact CD1-CG1 4.22Å; Y161-V168 HydrophobicContact CD2-CG1 3.55Å; Y161-V168 HydrophobicContact CE2-CG1 4.04Å; Y161-V168 HydrophobicContact CG-CG1 3.87Å; Y161-V168 HydrophobicContact CG-CG2 4.42Å; D165-V168 HydrophobicContact CB-CB 4.07Å; D165-V168 HydrophobicContact CB-CG2 3.74Å; D165-V168 WeakPolarHBondContact O-CB 3.28Å; D165-V168 PolarHBondContact O-N 3.47Å; P166-V168 VanDerWaalsContact C-N 3.34Å; V168-E170 VanDerWaalsContact C-N 3.32Å; V168-E170 PolarHBondContact O-N 3.03Å; V168-T171 PolarHBondContact O-N 2.79Å; V168-H172 PolarHBondContact O-N 2.84Å
169	I	96.4	Very high	95.5	Very high	64 Å²	64	55.4 Å²	55.4	33%	0.328	28%	0.284	S	S	.	.	H	α-helix	trans	-58.5	-47.6	177.4	-63.6	167.9	0	0	0	110	D165 P166 T171 H172 M173	D165-I169 WeakPolarHBondContact O-CG1 3.38Å; D165-I169 PolarHBondContact O-N 2.94Å; D165-I169 VanDerWaalsContact O-N 3.15Å; P166-I169 PolarHBondContact O-N 2.93Å; I169-T171 VanDerWaalsContact C-N 3.3Å; I169-T171 PolarHBondContact O-N 3.19Å; I169-H172 PolarHBondContact O-N 3.22Å; I169-M173 HydrophobicContact CG2-CE 4.16Å; I169-M173 HydrophobicContact CG2-CG 4.39Å; I169-M173 VanDerWaalsContact O-CG 3.25Å; I169-M173 WeakPolarHBondContact O-CG 3.41Å; I169-M173 PolarHBondContact O-N 3.01Å
170	E	96.3	Very high	95.2	Very high	101 Å²	101	56.2 Å²	56.2	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-43.2	177.6	-170.3	-179	-177.9	0	0	111.8	P166 V168 M173 R174	P166-E170 WeakPolarHBondContact O-CB 3.43Å; P166-E170 PolarHBondContact O-N 2.95Å; V168-E170 VanDerWaalsContact C-N 3.32Å; V168-E170 PolarHBondContact O-N 3.03Å; E170-M173 PolarHBondContact O-N 2.68Å; E170-R174 WeakPolarHBondContact O-CG 3.49Å; E170-R174 PolarHBondContact O-N 3.49Å; E170-R174 IonicContact OE1-CZ 3.48Å; E170-R174 IonicContact OE1-NE 3.54Å; E170-R174 IonicContact OE1-NH2 2.66Å; E170-R174 PolarHBondContact OE1-NH2 2.87Å; E170-R174 IonicContact OE2-NH2 3.57Å
171	T	96.4	Very high	94.9	Very high	41 Å²	41	57 Å²	57	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-44.1	177.8	-57.7	0	0	0	0	111.9	L158 S167 V168 I169 M173 R174 Q175	L158-T171 HydrophobicContact CD1-CG2 4.04Å; L158-T171 HydrophobicContact CD2-CG2 4.21Å; S167-T171 WeakPolarHBondContact O-CB 3.31Å; S167-T171 PolarHBondContact O-N 3.28Å; S167-T171 PolarHBondContact O-OG1 3.3Å; V168-T171 PolarHBondContact O-N 2.79Å; I169-T171 VanDerWaalsContact C-N 3.3Å; I169-T171 PolarHBondContact O-N 3.19Å; T171-M173 VanDerWaalsContact C-N 3.33Å; T171-M173 PolarHBondContact O-N 3.3Å; T171-R174 PolarHBondContact O-N 3.02Å; T171-Q175 WeakPolarHBondContact O-CG 3.24Å; T171-Q175 PolarHBondContact O-N 3.23Å
172	H	96.6	Very high	94	Very high	19 Å²	19	56.4 Å²	56.4	9%	0.088	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-40.2	174.6	-67.6	167	0	0	0	112.2	Y107 Y161 V168 I169 R174 Q175 M176	Y107-H172 HydrophobicContact CE2-CB 4.14Å; Y107-H172 AromaticContact CE2-ND1 3.52Å; Y107-H172 AromaticContact CZ-ND1 3.72Å; Y107-H172 PolarHBondContact OH-ND1 3.26Å; Y161-H172 AromaticContact CE2-CE1 3.74Å; Y161-H172 AromaticContact CZ-CE1 3.61Å; Y161-H172 AromaticContact CZ-NE2 3.87Å; V168-H172 PolarHBondContact O-N 2.84Å; I169-H172 PolarHBondContact O-N 3.22Å; H172-R174 PolarHBondContact O-N 2.9Å; H172-Q175 PolarHBondContact O-N 2.82Å; H172-M176 WeakPolarHBondContact O-CG 3.45Å; H172-M176 PolarHBondContact O-N 2.66Å
173	M	94.6	Very high	92.8	Very high	63 Å²	63	59.5 Å²	59.5	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-64.5	-39.7	176.3	-64.7	-64.3	158	0	0	111.7	I169 E170 T171 M176 R177 Y184	I169-M173 HydrophobicContact CG2-CE 4.16Å; I169-M173 HydrophobicContact CG2-CG 4.39Å; I169-M173 VanDerWaalsContact O-CG 3.25Å; I169-M173 WeakPolarHBondContact O-CG 3.41Å; I169-M173 PolarHBondContact O-N 3.01Å; E170-M173 PolarHBondContact O-N 2.68Å; T171-M173 VanDerWaalsContact C-N 3.33Å; T171-M173 PolarHBondContact O-N 3.3Å; M173-M176 HydrophobicContact CE-CE 3.76Å; M173-M176 HydrophobicContact CG-CE 4.36Å; M173-M176 PolarHBondContact O-N 2.8Å; M173-M176 HydrophobicContact SD-CE 3.33Å; M173-M176 WeakPolarHBondContact SD-CE 3.35Å; M173-R177 WeakPolarHBondContact O-CB 3.26Å; M173-R177 PolarHBondContact O-N 3.39Å; M173-Y184 HydrophobicContact CE-CE1 3.99Å; M173-Y184 HydrophobicContact CE-CE2 4.34Å; M173-Y184 HydrophobicContact SD-CE1 3.97Å
174	R	93.9	Very high	91.9	Very high	120 Å²	120	64.5 Å²	64.5	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-43.5	173.6	-69.3	176.7	-164.7	175.5	3.6	111.6	L91 E170 T171 H172 R177 S178	L91-R174 HydrophobicContact CD1-CB 4.18Å; E170-R174 WeakPolarHBondContact O-CG 3.49Å; E170-R174 PolarHBondContact O-N 3.49Å; E170-R174 IonicContact OE1-CZ 3.48Å; E170-R174 IonicContact OE1-NE 3.54Å; E170-R174 IonicContact OE1-NH2 2.66Å; E170-R174 PolarHBondContact OE1-NH2 2.87Å; E170-R174 IonicContact OE2-NH2 3.57Å; T171-R174 PolarHBondContact O-N 3.02Å; H172-R174 PolarHBondContact O-N 2.9Å; R174-R177 PolarHBondContact O-N 3.07Å; R174-S178 PolarHBondContact O-N 3.17Å
175	Q	93.8	Very high	91.1	Very high	91 Å²	91	58.6 Å²	58.6	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-46.8	175.9	-72.2	173.1	-7.9	0	0	111.3	T171 H172 R177 S178 A179	T171-Q175 WeakPolarHBondContact O-CG 3.24Å; T171-Q175 PolarHBondContact O-N 3.23Å; H172-Q175 PolarHBondContact O-N 2.82Å; Q175-R177 PolarHBondContact O-N 3.44Å; Q175-S178 PolarHBondContact O-N 3.17Å; Q175-S178 PolarHBondContact O-OG 3.22Å; Q175-A179 PolarHBondContact O-N 3.1Å
176	M	93.2	Very high	90	Very high	21 Å²	21	61 Å²	61	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-41.1	176.5	-73.5	-173.1	-70.4	0	0	112.6	V105 H172 M173 A179 S180 I181 Y184	V105-M176 HydrophobicContact CG1-CG 4.43Å; V105-M176 HydrophobicContact CG1-SD 3.67Å; H172-M176 WeakPolarHBondContact O-CG 3.45Å; H172-M176 PolarHBondContact O-N 2.66Å; M173-M176 HydrophobicContact CE-CE 3.76Å; M173-M176 HydrophobicContact CG-CE 4.36Å; M173-M176 PolarHBondContact O-N 2.8Å; M173-M176 HydrophobicContact SD-CE 3.33Å; M173-M176 WeakPolarHBondContact SD-CE 3.35Å; M176-A179 CarbonylContact O-C 3.27Å; M176-A179 PolarHBondContact O-N 3.34Å; M176-A179 VanDerWaalsContact O-N 3.17Å; M176-S180 PolarHBondContact O-N 2.94Å; M176-I181 HydrophobicContact CB-CB 4.35Å; M176-I181 HydrophobicContact CG-CD1 4.46Å; M176-I181 PolarHBondContact O-N 2.78Å; M176-Y184 HydrophobicContact CE-CD1 4.16Å; M176-Y184 HydrophobicContact CE-CG 4.43Å; M176-Y184 HydrophobicContact SD-CD1 4.34Å; M176-Y184 HydrophobicContact SD-CG 4.37Å
177	R	90.9	Very high	88.8	Confident	96 Å²	96	61.8 Å²	61.8	36%	0.362	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-43.7	174.4	-174.5	179.4	178.2	135.1	-5.8	111.6	L93 L96 L99 M173 R174 Q175 A179 S180	L93-R177 PolarHBondContact O-NH2 3.34Å; L96-R177 HydrophobicContact CD1-CG 3.93Å; L99-R177 HydrophobicContact CD2-CB 4.45Å; L99-R177 HydrophobicContact CD2-CG 4.12Å; M173-R177 WeakPolarHBondContact O-CB 3.26Å; M173-R177 PolarHBondContact O-N 3.39Å; R174-R177 PolarHBondContact O-N 3.07Å; Q175-R177 PolarHBondContact O-N 3.44Å; R177-A179 PolarHBondContact O-N 3.45Å; R177-S180 PolarHBondContact O-N 3.18Å
178	S	92	Very high	87.1	Confident	63 Å²	63	64.6 Å²	64.6	44%	0.441	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-28.4	176.3	75.1	0	0	0	0	112.7	R174 Q175 S180	R174-S178 PolarHBondContact O-N 3.17Å; Q175-S178 PolarHBondContact O-N 3.17Å; Q175-S178 PolarHBondContact O-OG 3.22Å; S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 3.39Å
179	A	91.1	Very high	85	Confident	52 Å²	52	72.5 Å²	72.5	43%	0.43	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.9	173.9	0	0	0	0	0	113.9	Q175 M176 R177 I181	Q175-A179 PolarHBondContact O-N 3.1Å; M176-A179 CarbonylContact O-C 3.27Å; M176-A179 PolarHBondContact O-N 3.34Å; M176-A179 VanDerWaalsContact O-N 3.17Å; R177-A179 PolarHBondContact O-N 3.45Å; A179-I181 HydrophobicContact CB-CD1 3.73Å; A179-I181 HydrophobicContact CB-CG1 3.97Å; A179-I181 PolarHBondContact O-N 3Å
180	S	92.3	Very high	82.2	Confident	29 Å²	29	74.3 Å²	74.3	20%	0.203	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	24.9	-176.9	-45.7	0	0	0	0	114.8	P97 N100 M176 R177 S178	P97-S180 WeakPolarHBondContact CB-OG 3.3Å; P97-S180 WeakPolarHBondContact CG-OG 3.3Å; N100-S180 WeakPolarHBondContact CB-O 3.35Å; N100-S180 PolarHBondContact N-O 3.46Å; M176-S180 PolarHBondContact O-N 2.94Å; R177-S180 PolarHBondContact O-N 3.18Å; S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 3.39Å
181	I	91.1	Very high	79.3	Confident	31 Å²	31	74.7 Å²	74.7	16%	0.159	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.3	-178.7	-60.8	164	0	0	0	109.2	L103 V105 M176 A179 N183	L103-I181 HydrophobicContact CD2-CG1 3.78Å; L103-I181 HydrophobicContact CG-CG1 4.21Å; V105-I181 HydrophobicContact CB-CD1 4.11Å; V105-I181 HydrophobicContact CB-CG2 4.11Å; V105-I181 HydrophobicContact CG1-CD1 4.3Å; V105-I181 HydrophobicContact CG1-CG2 3.76Å; V105-I181 HydrophobicContact CG2-CD1 4.42Å; M176-I181 HydrophobicContact CB-CB 4.35Å; M176-I181 HydrophobicContact CG-CD1 4.46Å; M176-I181 PolarHBondContact O-N 2.78Å; A179-I181 HydrophobicContact CB-CD1 3.73Å; A179-I181 HydrophobicContact CB-CG1 3.97Å; A179-I181 PolarHBondContact O-N 3Å; I181-N183 VanDerWaalsContact CG2-O 3.23Å; I181-N183 WeakPolarHBondContact CG2-O 3.24Å
182	G	78.6	Confident	76.2	Confident	21 Å²	21	79.8 Å²	79.8	22%	0.216	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-26.5	-179.5	0	0	0	0	0	114.5	N100	N100-G182 WeakPolarHBondContact O-CA 3.44Å; N100-G182 PolarHBondContact O-N 3.08Å
183	N	72.2	Confident	73.2	Confident	65 Å²	65	84.1 Å²	84.1	35%	0.348	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.3	-177	-75.3	-57	0	0	0	112.2	N101 L103 H104 V105 I181	N101-N183 PolarHBondContact O-ND2 2.9Å; L103-N183 PolarHBondContact O-N 3.1Å; H104-N183 WeakPolarHBondContact CA-O 3.28Å; V105-N183 PolarHBondContact N-O 2.99Å; I181-N183 VanDerWaalsContact CG2-O 3.23Å; I181-N183 WeakPolarHBondContact CG2-O 3.24Å
184	Y	77.6	Confident	70.3	Confident	114 Å²	114	87.4 Å²	87.4	45%	0.447	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.6	172.9	57.1	-89.3	0	0	0	110.5	V105 M173 M176	V105-Y184 WeakPolarHBondContact O-CA 3.4Å; M173-Y184 HydrophobicContact CE-CE1 3.99Å; M173-Y184 HydrophobicContact CE-CE2 4.34Å; M173-Y184 HydrophobicContact SD-CE1 3.97Å; M176-Y184 HydrophobicContact CE-CD1 4.16Å; M176-Y184 HydrophobicContact CE-CG 4.43Å; M176-Y184 HydrophobicContact SD-CD1 4.34Å; M176-Y184 HydrophobicContact SD-CG 4.37Å
185	C	78.1	Confident	67.5	Low	53 Å²	53	90.8 Å²	90.8	36%	0.358	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	103.7	175.4	-65.5	0	0	0	0	107.7	V105 F106 Y107	V105-C185 PolarHBondContact O-N 3.16Å; F106-C185 HydrophobicContact CD1-CB 4.2Å; Y107-C185 PolarHBondContact N-O 3.06Å
186	I	75.8	Confident	64.8	Low	78 Å²	78	94.6 Å²	94.6	40%	0.4	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.6	177.7	-165.6	159.1	0	0	0	110.2	Y107 I188	Y107-I186 HydrophobicContact CD1-CD1 4.21Å; Y107-I186 HydrophobicContact CD1-CG1 4.19Å; I186-I188 HydrophobicContact CG2-CD1 3.95Å; I186-I188 HydrophobicContact CG2-CG1 3.8Å; I186-I188 PolarHBondContact O-N 3.45Å
187	Y	71.2	Confident	62	Low	107 Å²	107	99.7 Å²	99.7	42%	0.42	53%	0.53	S	S	.	.			trans	-69.9	112.7	172.7	-170.5	-82.2	0	0	0	109.5	Y107 Y108 W110 Y189	Y107-Y187 PolarHBondContact O-N 3.04Å; Y108-Y187 HydrophobicContact CD1-CG 4.35Å; Y108-Y187 HydrophobicContact CE1-CD2 4.23Å; Y108-Y187 HydrophobicContact CE1-CG 4.38Å; W110-Y187 HydrophobicContact CZ3-CD1 4.42Å; W110-Y187 HydrophobicContact CZ3-CE1 4.47Å; Y187-Y189 AromaticContact CD1-CD2 3.97Å; Y187-Y189 HydrophobicContact CD1-CD2 3.97Å; Y187-Y189 HydrophobicContact CD1-CE2 4.08Å; Y187-Y189 HydrophobicContact CE1-CD1 4.03Å; Y187-Y189 AromaticContact CE1-CD2 3.39Å; Y187-Y189 HydrophobicContact CE1-CD2 3.39Å; Y187-Y189 AromaticContact CE1-CE1 3.99Å; Y187-Y189 HydrophobicContact CE1-CE1 3.99Å; Y187-Y189 AromaticContact CE1-CE2 3.33Å; Y187-Y189 HydrophobicContact CE1-CE2 3.33Å; Y187-Y189 AromaticContact CE1-CG 3.73Å; Y187-Y189 HydrophobicContact CE1-CG 3.73Å; Y187-Y189 AromaticContact CE1-CZ 3.63Å; Y187-Y189 AromaticContact CZ-CZ 3.99Å; Y187-Y189 WeakPolarHBondContact OH-CE1 3.43Å
188	I	60.4	Low	59.5	Low	121 Å²	121	105.8 Å²	105.8	62%	0.621	57%	0.568	S	S	*	*			trans	-108.3	114.7	175.8	-56.7	176.1	0	0	0	107.8	I186 V190	I186-I188 HydrophobicContact CG2-CD1 3.95Å; I186-I188 HydrophobicContact CG2-CG1 3.8Å; I186-I188 PolarHBondContact O-N 3.45Å; I188-V190 HydrophobicContact CG2-CG2 3.77Å; I188-V190 PolarHBondContact O-N 3.04Å
189	Y	52.8	Low	57.9	Low	173 Å²	173	108 Å²	108	68%	0.678	57%	0.574	S	S	*	*			trans	-69.4	82.3	162.6	-90	-72.5	0	0	0	108.6	W110 Y187	W110-Y189 HydrophobicContact CE3-CE2 4.1Å; W110-Y189 HydrophobicContact CZ3-CE2 4.17Å; Y187-Y189 AromaticContact CD1-CD2 3.97Å; Y187-Y189 HydrophobicContact CD1-CD2 3.97Å; Y187-Y189 HydrophobicContact CD1-CE2 4.08Å; Y187-Y189 HydrophobicContact CE1-CD1 4.03Å; Y187-Y189 AromaticContact CE1-CD2 3.39Å; Y187-Y189 HydrophobicContact CE1-CD2 3.39Å; Y187-Y189 AromaticContact CE1-CE1 3.99Å; Y187-Y189 HydrophobicContact CE1-CE1 3.99Å; Y187-Y189 AromaticContact CE1-CE2 3.33Å; Y187-Y189 HydrophobicContact CE1-CE2 3.33Å; Y187-Y189 AromaticContact CE1-CG 3.73Å; Y187-Y189 HydrophobicContact CE1-CG 3.73Å; Y187-Y189 AromaticContact CE1-CZ 3.63Å; Y187-Y189 AromaticContact CZ-CZ 3.99Å; Y187-Y189 WeakPolarHBondContact OH-CE1 3.43Å
190	V	38	Very low	56.1	Low	102 Å²	102	110.9 Å²	110.9	62%	0.618	58%	0.582	S	S	*	*			trans	-76.8	121.8	151.7	-177.5	0	0	0	0	104.6	I188 L192	I188-V190 HydrophobicContact CG2-CG2 3.77Å; I188-V190 PolarHBondContact O-N 3.04Å; V190-L192 PolarHBondContact O-N 2.97Å
191	C	34.4	Very low	54.1	Low	109 Å²	109	115.4 Å²	115.4	74%	0.736	60%	0.603	S	S	*	*			trans	-60	81.6	177.1	-163.4	0	0	0	0	109.5	C193	C191-C193 PolarHBondContact O-N 2.72Å
192	L	32.7	Very low	52	Low	148 Å²	148	120.4 Å²	120.4	78%	0.775	63%	0.629	S	S	*	*			trans	-81.7	64.2	170.7	-128.1	106.5	0	0	0	107.2	V190 L194	V190-L192 PolarHBondContact O-N 2.97Å; L192-L194 PolarHBondContact O-N 3.17Å
193	C	32.2	Very low	50.3	Low	110 Å²	110	126.6 Å²	126.6	74%	0.743	66%	0.655	S	S	*	*			trans	-86.5	15.7	172.8	-112.4	0	0	0	0	112.5	C191	C191-C193 PolarHBondContact O-N 2.72Å
194	L	34.4	Very low	48.8	Very low	132 Å²	132	130.7 Å²	130.7	69%	0.691	68%	0.675	S	S	*	*	S	Bend	trans	-129.7	132.7	168.8	-83.5	102.6	0	0	0	109.1	L192	L192-L194 PolarHBondContact O-N 3.17Å
195	Y	35.8	Very low	46.8	Very low	191 Å²	191	131.9 Å²	131.9	75%	0.749	69%	0.691	S	S	*	*	S	Bend	trans	100.2	36.7	172.7	-68.2	-85.5	0	0	0	119.6
196	I	35.4	Very low	44.4	Very low	171 Å²	171	138 Å²	138	88%	0.877	72%	0.717	S	S	*	*	S	Bend	trans	-131.9	73	142.8	-58.8	178	0	0	0	107.8
197	C	35.1	Very low	41.7	Very low	128 Å²	128	143 Å²	143	87%	0.865	74%	0.743	S	S	*	*			trans	-174.6	64.8	161.8	-105.6	0	0	0	0	108.4
198	I	38.6	Very low	39.1	Very low	224 Å²	224	146.3 Å²	146.3	100%	1.149	77%	0.773	S	S	*	*			trans	-140.6	0	148.5	-64.8	-173.4	0	0	0	106.1

Retrieved 198 of 198 residues in 125.2 ms (Link to these results)

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