A0A096M5B1_POEFO Loading...

Actin-related protein 2/3 complex subunit

Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB (M3ZMM7), UniProt , Accession A0A096M5B1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	73.1	Confident	88.5	Confident	103 Å²	103	66.4 Å²	66.4	51%	0.507	35%	0.347	S	S	.	.				0	134	0	-60.4	171.6	-75.7	0	0	107.4	L322 W355 L360	M1-L322 HydrophobicContact CB-CD1 3.97Å; M1-W355 HydrophobicContact CG-CE3 4.06Å; M1-W355 HydrophobicContact CG-CZ3 4.47Å; M1-W355 HydrophobicContact SD-CD2 4.29Å; M1-W355 HydrophobicContact SD-CE3 3.21Å; M1-W355 HydrophobicContact SD-CH2 4.41Å; M1-W355 HydrophobicContact SD-CZ3 3.29Å; M1-W355 WeakPolarHBondContact SD-CZ3 3.38Å; M1-L360 HydrophobicContact CE-CD2 4.21Å; M1-L360 HydrophobicContact SD-CD2 3.69Å
2	S	76.6	Confident	89	Confident	82 Å²	82	64.5 Å²	64.5	57%	0.573	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.5	177.2	59	0	0	0	0	109.1
3	L	87.1	Confident	89.7	Confident	65 Å²	65	60 Å²	60	34%	0.34	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134	169.9	179.7	129.1	0	0	0	109	L322 A351	L3-L322 HydrophobicContact CD1-CB 4.09Å; L3-L322 VanDerWaalsContact CD1-O 3.22Å; L3-L322 WeakPolarHBondContact CD1-O 3.41Å; L3-A351 HydrophobicContact CD1-CB 3.73Å; L3-A351 HydrophobicContact CD2-CB 4.19Å; L3-A351 HydrophobicContact CG-CB 3.93Å
4	H	91.1	Very high	90.3	Very high	53 Å²	53	55.8 Å²	55.8	25%	0.245	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.2	172.3	-174	72.2	0	0	0	109.4	F6 W42 A351 M352	H4-F6 AromaticContact CD2-CD1 3.65Å; H4-F6 AromaticContact CD2-CD2 3.9Å; H4-F6 AromaticContact CD2-CE1 3.54Å; H4-F6 AromaticContact CD2-CE2 3.81Å; H4-F6 AromaticContact CD2-CG 3.83Å; H4-F6 AromaticContact CD2-CZ 3.62Å; H4-F6 AromaticContact NE2-CD1 3.7Å; H4-F6 AromaticContact NE2-CE1 3.68Å; H4-W42 AromaticContact CD2-CD1 3.43Å; H4-W42 VanDerWaalsContact CD2-CD1 3.43Å; H4-W42 AromaticContact CE1-CD1 3.72Å; H4-W42 AromaticContact CG-CD1 3.56Å; H4-W42 AromaticContact ND1-CD1 3.73Å; H4-W42 AromaticContact NE2-CD1 3.52Å; H4-W42 AromaticContact NE2-CG 3.87Å; H4-A351 WeakPolarHBondContact O-CA 3.29Å; H4-M352 HydrophobicContact CB-CE 4.07Å; H4-M352 PolarHBondContact N-O 3.01Å; H4-M352 PolarHBondContact O-N 3.33Å
5	Q	92.6	Very high	90.9	Very high	86 Å²	86	52.5 Å²	52.5	40%	0.402	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.8	175.4	-165.5	71.3	28	0	0	109	L7 D349	Q5-L7 PolarHBondContact NE2-O 2.96Å; Q5-D349 PolarHBondContact NE2-O 3.2Å
6	F	89.3	Confident	91.3	Very high	26 Å²	26	49.9 Å²	49.9	11%	0.114	26%	0.264	C	S	.	.			trans	-87.3	-41.8	174.7	-76.5	-72.9	0	0	0	112	H4 I11 I23 I25 Y35 W42 G350 M352	H4-F6 AromaticContact CD2-CD1 3.65Å; H4-F6 AromaticContact CD2-CD2 3.9Å; H4-F6 AromaticContact CD2-CE1 3.54Å; H4-F6 AromaticContact CD2-CE2 3.81Å; H4-F6 AromaticContact CD2-CG 3.83Å; H4-F6 AromaticContact CD2-CZ 3.62Å; H4-F6 AromaticContact NE2-CD1 3.7Å; H4-F6 AromaticContact NE2-CE1 3.68Å; F6-I11 HydrophobicContact CD2-CD1 4.01Å; F6-I23 HydrophobicContact CE2-CG2 4.42Å; F6-I23 HydrophobicContact CZ-CG2 3.81Å; F6-I25 HydrophobicContact CB-CD1 3.89Å; F6-I25 HydrophobicContact CD1-CD1 4.27Å; F6-I25 HydrophobicContact CD2-CD1 4.05Å; F6-I25 HydrophobicContact CG-CD1 3.84Å; F6-Y35 AromaticContact CD1-CD1 3.75Å; F6-Y35 HydrophobicContact CD1-CD1 3.75Å; F6-Y35 AromaticContact CD1-CD2 3.97Å; F6-Y35 HydrophobicContact CD1-CD2 3.97Å; F6-Y35 AromaticContact CD1-CE1 3.75Å; F6-Y35 HydrophobicContact CD1-CE1 3.75Å; F6-Y35 AromaticContact CD1-CE2 3.97Å; F6-Y35 HydrophobicContact CD1-CE2 3.97Å; F6-Y35 AromaticContact CD1-CG 3.88Å; F6-Y35 HydrophobicContact CD1-CG 3.88Å; F6-Y35 AromaticContact CD1-CZ 3.87Å; F6-Y35 AromaticContact CE1-CD1 3.56Å; F6-Y35 HydrophobicContact CE1-CD1 3.56Å; F6-Y35 AromaticContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CE1 4.07Å; F6-Y35 HydrophobicContact CE1-CE2 4.31Å; F6-Y35 AromaticContact CE1-CG 3.44Å; F6-Y35 HydrophobicContact CE1-CG 3.44Å; F6-Y35 VanDerWaalsContact CE1-CG 3.44Å; F6-Y35 HydrophobicContact CZ-CG 4.35Å; F6-W42 HydrophobicContact CE1-CB 3.55Å; F6-W42 HydrophobicContact CE1-CD2 4.37Å; F6-W42 AromaticContact CE1-CG 3.83Å; F6-W42 HydrophobicContact CE1-CG 3.83Å; F6-W42 HydrophobicContact CZ-CB 4.12Å; F6-W42 HydrophobicContact CZ-CD2 4.07Å; F6-W42 AromaticContact CZ-CG 3.87Å; F6-W42 HydrophobicContact CZ-CG 3.87Å; F6-G350 PolarHBondContact N-O 3.23Å; F6-G350 VanDerWaalsContact N-O 3.14Å; F6-M352 HydrophobicContact CD2-CB 3.95Å; F6-M352 HydrophobicContact CE2-CB 3.59Å; F6-M352 HydrophobicContact CE2-CE 3.51Å; F6-M352 HydrophobicContact CE2-CG 4.14Å; F6-M352 HydrophobicContact CZ-CE 3.71Å
7	L	88.7	Confident	91.7	Very high	24 Å²	24	47.5 Å²	47.5	13%	0.126	25%	0.251	C	S	.	.			trans	-156.3	167.5	-171.6	54	123.1	0	0	0	110.4	Q5 E9 I11 I25 P27 G350	Q5-L7 PolarHBondContact NE2-O 2.96Å; L7-E9 HydrophobicContact CD1-CB 3.57Å; L7-E9 WeakPolarHBondContact CD1-O 3.32Å; L7-I11 HydrophobicContact CD2-CG1 4.2Å; L7-I25 HydrophobicContact CD2-CD1 3.68Å; L7-P27 HydrophobicContact CD1-CB 3.7Å; L7-P27 HydrophobicContact CD2-CB 3.57Å; L7-P27 HydrophobicContact CG-CB 4.3Å; L7-G350 PolarHBondContact N-O 3.29Å; L7-G350 WeakPolarHBondContact O-CA 3.38Å
8	L	89.1	Confident	91.9	Very high	154 Å²	154	54.3 Å²	54.3	81%	0.806	27%	0.273	S	S	*	.	S	Bend	trans	-88.2	-21.9	178.8	-67.3	176.2	0	0	0	112.3
9	E	92.3	Very high	92	Very high	105 Å²	105	56.7 Å²	56.7	49%	0.491	29%	0.287	S	S	.	.	S	Bend	trans	-78.8	168.7	176.9	-54.6	81.4	176.7	0	0	112.2	L7 N28 G350	L7-E9 HydrophobicContact CD1-CB 3.57Å; L7-E9 WeakPolarHBondContact CD1-O 3.32Å; E9-N28 HydrophobicContact CB-CB 4.45Å; E9-G350 WeakPolarHBondContact O-CA 3.26Å; E9-G350 PolarHBondContact O-N 3.21Å
10	P	96.1	Very high	92.2	Very high	32 Å²	32	57.2 Å²	57.2	21%	0.208	29%	0.285	C	S	.	.			trans	-63.7	141.2	177.7	-26.2	36.5	0	0	0	114.3	T12 P27 N28 I348	P10-T12 PolarHBondContact O-N 3.05Å; P10-P27 CarbonylContact O-C 3.54Å; P10-N28 HydrophobicContact CB-CB 4.06Å; P10-N28 HydrophobicContact CG-CB 4.26Å; P10-N28 WeakPolarHBondContact O-CB 3.22Å; P10-N28 PolarHBondContact O-N 2.83Å; P10-N28 VanDerWaalsContact O-N 3.08Å; P10-I348 VanDerWaalsContact CA-O 3.31Å; P10-I348 WeakPolarHBondContact CA-O 3.25Å; P10-I348 HydrophobicContact CB-CB 4.42Å; P10-I348 HydrophobicContact CB-CG2 4.13Å; P10-I348 HydrophobicContact CG-CG2 3.75Å
11	I	97.6	Very high	92.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.			trans	-85.8	108.2	156.9	-66.2	167.4	0	0	0	107.2	F6 L7 I25 T328 T346 G347	F6-I11 HydrophobicContact CD2-CD1 4.01Å; L7-I11 HydrophobicContact CD2-CG1 4.2Å; I11-I25 HydrophobicContact CD1-CD1 4.27Å; I11-I25 HydrophobicContact CG1-CD1 4.33Å; I11-I25 HydrophobicContact CG2-CB 4.19Å; I11-I25 HydrophobicContact CG2-CG2 4.31Å; I11-T328 PolarHBondContact O-OG1 3.26Å; I11-T346 HydrophobicContact CD1-CG2 4.31Å; I11-T346 HydrophobicContact CG2-CG2 4.14Å; I11-G347 PolarHBondContact N-O 3.19Å
12	T	95.1	Very high	93.5	Very high	44 Å²	44	53.6 Å²	53.6	27%	0.27	27%	0.27	S	S	.	.			trans	-76.7	-35.8	-176.7	54.9	0	0	0	0	112.4	P10 S26 N28 I55	P10-T12 PolarHBondContact O-N 3.05Å; T12-S26 PolarHBondContact N-O 3.01Å; T12-S26 WeakPolarHBondContact OG1-CB 3.41Å; T12-S26 PolarHBondContact OG1-O 3.21Å; T12-S26 VanDerWaalsContact OG1-O 3.14Å; T12-S26 PolarHBondContact OG1-OG 2.84Å; T12-N28 HydrophobicContact CG2-CB 4.03Å; T12-N28 WeakPolarHBondContact CG2-OD1 3.34Å; T12-I55 PolarHBondContact OG1-O 3.46Å
13	C	97.5	Very high	94.5	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	158	175.6	51	0	0	0	0	110.6	S26 Q329	C13-S26 PolarHBondContact O-N 3.35Å; C13-Q329 VanDerWaalsContact CA-OE1 3.23Å
14	H	98.5	Very high	95	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.7	175.5	76.9	-80.7	0	0	0	113.3	W16 I23 A24 I25 Q329 S331 T346	H14-W16 AromaticContact CD2-CD1 3.72Å; H14-W16 AromaticContact CD2-NE1 3.61Å; H14-W16 AromaticContact NE2-CD1 3.9Å; H14-W16 AromaticContact NE2-NE1 3.72Å; H14-I23 HydrophobicContact CB-CD1 4.11Å; H14-I23 HydrophobicContact CB-CG1 4.27Å; H14-A24 CarbonylContact C-O 3.34Å; H14-A24 WeakPolarHBondContact CA-O 3.31Å; H14-A24 WeakPolarHBondContact CB-O 3.38Å; H14-I25 HydrophobicContact CB-CG2 3.92Å; H14-Q329 VanDerWaalsContact CE1-CD 3.47Å; H14-Q329 PolarHBondContact ND1-OE1 3.18Å; H14-Q329 PolarHBondContact O-NE2 2.9Å; H14-S331 PolarHBondContact NE2-OG 3.39Å; H14-T346 HydrophobicContact CB-CG2 4.28Å; H14-T346 PolarHBondContact ND1-OG1 3.14Å
15	A	98.6	Very high	95.4	Very high	6 Å²	6	44.1 Å²	44.1	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151	168.4	0	0	0	0	0	111.3	I23 A24 I58 W60	A15-I23 WeakPolarHBondContact O-CA 3.27Å; A15-A24 PolarHBondContact N-O 3.01Å; A15-A24 PolarHBondContact O-N 3.16Å; A15-I58 HydrophobicContact CB-CB 4.39Å; A15-I58 HydrophobicContact CB-CG2 3.75Å; A15-W60 HydrophobicContact CB-CB 3.79Å
16	W	98.3	Very high	95.6	Very high	11 Å²	11	40 Å²	40	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.6	178.8	-73.8	98.3	0	0	0	110.3	H14 R20 Q22 I23 W42 Y333 C344 M352	H14-W16 AromaticContact CD2-CD1 3.72Å; H14-W16 AromaticContact CD2-NE1 3.61Å; H14-W16 AromaticContact NE2-CD1 3.9Å; H14-W16 AromaticContact NE2-NE1 3.72Å; W16-R20 VanDerWaalsContact CB-NH1 3.31Å; W16-R20 HydrophobicContact CE3-CB 4.22Å; W16-R20 PolarHBondContact O-NH1 2.9Å; W16-Q22 VanDerWaalsContact CE3-O 3.23Å; W16-I23 HydrophobicContact CD2-CB 4.08Å; W16-I23 HydrophobicContact CD2-CG1 4.16Å; W16-I23 HydrophobicContact CE3-CB 3.84Å; W16-I23 HydrophobicContact CE3-CG1 4.43Å; W16-I23 HydrophobicContact CH2-CB 3.78Å; W16-I23 HydrophobicContact CH2-CD1 4.16Å; W16-I23 HydrophobicContact CH2-CG1 4.34Å; W16-I23 HydrophobicContact CH2-CG2 4.22Å; W16-I23 HydrophobicContact CZ2-CB 4.06Å; W16-I23 HydrophobicContact CZ2-CD1 3.65Å; W16-I23 HydrophobicContact CZ2-CG1 4.1Å; W16-I23 HydrophobicContact CZ3-CB 3.67Å; W16-I23 HydrophobicContact CZ3-CG2 4.35Å; W16-W42 AromaticContact CH2-CH2 3.37Å; W16-W42 HydrophobicContact CH2-CH2 3.37Å; W16-W42 AromaticContact CH2-CZ2 3.73Å; W16-W42 HydrophobicContact CH2-CZ2 3.73Å; W16-W42 HydrophobicContact CH2-CZ3 4.12Å; W16-W42 AromaticContact CZ3-CH2 3.37Å; W16-W42 HydrophobicContact CZ3-CH2 3.37Å; W16-W42 HydrophobicContact CZ3-CZ2 4.2Å; W16-W42 AromaticContact CZ3-CZ3 3.92Å; W16-W42 HydrophobicContact CZ3-CZ3 3.92Å; W16-Y333 HydrophobicContact CD2-CD2 4.19Å; W16-Y333 HydrophobicContact CD2-CE2 4.33Å; W16-Y333 AromaticContact CE2-CD2 3.81Å; W16-Y333 HydrophobicContact CE3-CD2 4.44Å; W16-Y333 HydrophobicContact CE3-CE2 4.13Å; W16-Y333 HydrophobicContact CH2-CD2 4.07Å; W16-Y333 AromaticContact CH2-CE2 3.56Å; W16-Y333 HydrophobicContact CH2-CE2 3.56Å; W16-Y333 AromaticContact CZ2-CD2 3.74Å; W16-Y333 HydrophobicContact CZ2-CD2 3.74Å; W16-Y333 AromaticContact CZ2-CE2 3.74Å; W16-Y333 HydrophobicContact CZ2-CE2 3.74Å; W16-Y333 HydrophobicContact CZ3-CD2 4.39Å; W16-Y333 AromaticContact CZ3-CE2 3.75Å; W16-Y333 HydrophobicContact CZ3-CE2 3.75Å; W16-C344 PolarHBondContact NE1-SG 3.27Å; W16-M352 HydrophobicContact CZ2-SD 4.13Å
17	N	97.5	Very high	95.9	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.053	19%	0.194	C	C	.	.			trans	-67.9	173.4	169	79.3	-29.3	0	0	0	111.3	D19 R20 T21 Q22 W60	N17-D19 PolarHBondContact ND2-OD1 2.75Å; N17-D19 PolarHBondContact O-N 3.21Å; N17-D19 PolarHBondContact OD1-OD1 3.02Å; N17-D19 VanDerWaalsContact OD1-OD1 3.05Å; N17-R20 PolarHBondContact O-N 3.27Å; N17-R20 PolarHBondContact O-NH1 3.1Å; N17-R20 WeakPolarHBondContact OD1-CA 3.21Å; N17-R20 PolarHBondContact OD1-N 2.79Å; N17-R20 VanDerWaalsContact OD1-N 3.11Å; N17-T21 PolarHBondContact ND2-OG1 3.34Å; N17-T21 PolarHBondContact OD1-N 3.26Å; N17-T21 VanDerWaalsContact OD1-N 3.09Å; N17-Q22 HydrophobicContact CB-CB 4.35Å; N17-Q22 PolarHBondContact N-O 2.83Å; N17-Q22 VanDerWaalsContact N-O 3.13Å; N17-Q22 PolarHBondContact OD1-N 2.75Å; N17-Q22 PolarHBondContact OD1-O 3Å; N17-W60 HydrophobicContact CB-CD2 3.76Å; N17-W60 HydrophobicContact CB-CE3 4Å; N17-W60 HydrophobicContact CB-CG 4.41Å; N17-W60 HydrophobicContact CB-CH2 3.84Å; N17-W60 HydrophobicContact CB-CZ2 3.58Å; N17-W60 HydrophobicContact CB-CZ3 4.04Å
18	R	95.7	Very high	96.3	Very high	170 Å²	170	41.5 Å²	41.5	64%	0.642	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-48.6	-173.4	-171.3	-169.5	-177.1	128.2	-7.3	114.3	R20 P62	R18-R20 VanDerWaalsContact C-N 3.34Å; R18-P62 HydrophobicContact CB-CB 3.99Å; R18-P62 VanDerWaalsContact CB-O 3.26Å; R18-P62 WeakPolarHBondContact CB-O 3.46Å; R18-P62 WeakPolarHBondContact CD-O 3.48Å; R18-P62 HydrophobicContact CG-CB 4.01Å; R18-P62 WeakPolarHBondContact CG-O 3.41Å
19	D	94.1	Very high	96.6	Very high	100 Å²	100	36 Å²	36	54%	0.535	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.4	-172.4	67.5	1.6	0	0	0	113.2	N17 T21	N17-D19 PolarHBondContact ND2-OD1 2.75Å; N17-D19 PolarHBondContact O-N 3.21Å; N17-D19 PolarHBondContact OD1-OD1 3.02Å; N17-D19 VanDerWaalsContact OD1-OD1 3.05Å; D19-T21 HydrophobicContact CB-CG2 4.28Å; D19-T21 VanDerWaalsContact CG-CG2 3.41Å; D19-T21 VanDerWaalsContact CG-OG1 3.26Å; D19-T21 PolarHBondContact O-N 2.99Å; D19-T21 WeakPolarHBondContact OD1-CB 3.33Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.26Å; D19-T21 PolarHBondContact OD1-N 2.86Å; D19-T21 PolarHBondContact OD1-OG1 2.93Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T21 PolarHBondContact OD2-OG1 3.05Å
20	R	94.9	Very high	96.8	Very high	65 Å²	65	35 Å²	35	25%	0.245	17%	0.172	C	C	.	.	S	Bend	trans	60	23.2	-179.3	-47.8	-61.2	-172.4	-140.4	11.7	113.9	W16 N17 R18 I332 Y333	W16-R20 VanDerWaalsContact CB-NH1 3.31Å; W16-R20 HydrophobicContact CE3-CB 4.22Å; W16-R20 PolarHBondContact O-NH1 2.9Å; N17-R20 PolarHBondContact O-N 3.27Å; N17-R20 PolarHBondContact O-NH1 3.1Å; N17-R20 WeakPolarHBondContact OD1-CA 3.21Å; N17-R20 PolarHBondContact OD1-N 2.79Å; N17-R20 VanDerWaalsContact OD1-N 3.11Å; R18-R20 VanDerWaalsContact C-N 3.34Å; R20-I332 PolarHBondContact NH2-O 2.64Å; R20-I332 VanDerWaalsContact NH2-O 3.16Å; R20-Y333 HydrophobicContact CB-CD2 4.38Å; R20-Y333 HydrophobicContact CB-CE2 3.88Å; R20-Y333 WeakPolarHBondContact CD-O 3.38Å; R20-Y333 WeakPolarHBondContact CG-O 3.32Å; R20-Y333 PolarHBondContact NE-O 2.71Å
21	T	94.9	Very high	96.9	Very high	50 Å²	50	34.5 Å²	34.5	31%	0.307	17%	0.167	S	C	.	.	S	Bend	trans	-84	-19.3	173.9	64.1	0	0	0	0	112.3	N17 D19 K36 K37	N17-T21 PolarHBondContact ND2-OG1 3.34Å; N17-T21 PolarHBondContact OD1-N 3.26Å; N17-T21 VanDerWaalsContact OD1-N 3.09Å; D19-T21 HydrophobicContact CB-CG2 4.28Å; D19-T21 VanDerWaalsContact CG-CG2 3.41Å; D19-T21 VanDerWaalsContact CG-OG1 3.26Å; D19-T21 PolarHBondContact O-N 2.99Å; D19-T21 WeakPolarHBondContact OD1-CB 3.33Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.26Å; D19-T21 PolarHBondContact OD1-N 2.86Å; D19-T21 PolarHBondContact OD1-OG1 2.93Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T21 PolarHBondContact OD2-OG1 3.05Å; T21-K36 WeakPolarHBondContact O-CA 3.45Å; T21-K37 PolarHBondContact O-N 3.32Å
22	Q	97.3	Very high	96.9	Very high	36 Å²	36	34.5 Å²	34.5	17%	0.168	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.7	179.8	-58.8	-177.8	37.6	0	0	112.4	W16 N17 I34 Y35 K36 W60	W16-Q22 VanDerWaalsContact CE3-O 3.23Å; N17-Q22 HydrophobicContact CB-CB 4.35Å; N17-Q22 PolarHBondContact N-O 2.83Å; N17-Q22 VanDerWaalsContact N-O 3.13Å; N17-Q22 PolarHBondContact OD1-N 2.75Å; N17-Q22 PolarHBondContact OD1-O 3Å; Q22-I34 HydrophobicContact CB-CG2 4.13Å; Q22-Y35 CarbonylContact C-O 3.57Å; Q22-Y35 WeakPolarHBondContact CA-O 3.2Å; Q22-K36 HydrophobicContact CG-CB 4.07Å; Q22-K36 HydrophobicContact CG-CG 4.06Å; Q22-W60 HydrophobicContact CB-CH2 3.82Å; Q22-W60 HydrophobicContact CB-CZ3 4.12Å
23	I	98.1	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.1	172	-171.1	-179.1	0	0	0	109.5	F6 H14 A15 W16 I25 I34 Y35 W42 M352	F6-I23 HydrophobicContact CE2-CG2 4.42Å; F6-I23 HydrophobicContact CZ-CG2 3.81Å; H14-I23 HydrophobicContact CB-CD1 4.11Å; H14-I23 HydrophobicContact CB-CG1 4.27Å; A15-I23 WeakPolarHBondContact O-CA 3.27Å; W16-I23 HydrophobicContact CD2-CB 4.08Å; W16-I23 HydrophobicContact CD2-CG1 4.16Å; W16-I23 HydrophobicContact CE3-CB 3.84Å; W16-I23 HydrophobicContact CE3-CG1 4.43Å; W16-I23 HydrophobicContact CH2-CB 3.78Å; W16-I23 HydrophobicContact CH2-CD1 4.16Å; W16-I23 HydrophobicContact CH2-CG1 4.34Å; W16-I23 HydrophobicContact CH2-CG2 4.22Å; W16-I23 HydrophobicContact CZ2-CB 4.06Å; W16-I23 HydrophobicContact CZ2-CD1 3.65Å; W16-I23 HydrophobicContact CZ2-CG1 4.1Å; W16-I23 HydrophobicContact CZ3-CB 3.67Å; W16-I23 HydrophobicContact CZ3-CG2 4.35Å; I23-I25 HydrophobicContact CD1-CG2 3.71Å; I23-I25 HydrophobicContact CG1-CG2 3.82Å; I23-I34 CarbonylContact O-C 3.59Å; I23-I34 WeakPolarHBondContact O-CA 3.42Å; I23-Y35 PolarHBondContact N-O 3.35Å; I23-Y35 PolarHBondContact O-N 3.11Å; I23-W42 HydrophobicContact CG2-CE3 4.02Å; I23-W42 HydrophobicContact CG2-CZ3 3.95Å; I23-M352 HydrophobicContact CD1-CG 4.15Å
24	A	98.6	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128	168.5	0	0	0	0	0	108.7	H14 A15 V32 H33 I34 I58 W60 I67	H14-A24 CarbonylContact C-O 3.34Å; H14-A24 WeakPolarHBondContact CA-O 3.31Å; H14-A24 WeakPolarHBondContact CB-O 3.38Å; A15-A24 PolarHBondContact N-O 3.01Å; A15-A24 PolarHBondContact O-N 3.16Å; A24-V32 HydrophobicContact CB-CG1 3.74Å; A24-H33 WeakPolarHBondContact CA-O 3.42Å; A24-I34 HydrophobicContact CB-CG1 4.17Å; A24-I58 HydrophobicContact CB-CG2 4.17Å; A24-W60 HydrophobicContact CB-CE3 3.84Å; A24-W60 HydrophobicContact CB-CZ3 3.79Å; A24-I67 HydrophobicContact CB-CD1 4.44Å
25	I	98.3	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.7	178.3	66.4	176.5	0	0	0	111.1	F6 L7 I11 H14 I23 V32 H33 Y35	F6-I25 HydrophobicContact CB-CD1 3.89Å; F6-I25 HydrophobicContact CD1-CD1 4.27Å; F6-I25 HydrophobicContact CD2-CD1 4.05Å; F6-I25 HydrophobicContact CG-CD1 3.84Å; L7-I25 HydrophobicContact CD2-CD1 3.68Å; I11-I25 HydrophobicContact CD1-CD1 4.27Å; I11-I25 HydrophobicContact CG1-CD1 4.33Å; I11-I25 HydrophobicContact CG2-CB 4.19Å; I11-I25 HydrophobicContact CG2-CG2 4.31Å; H14-I25 HydrophobicContact CB-CG2 3.92Å; I23-I25 HydrophobicContact CD1-CG2 3.71Å; I23-I25 HydrophobicContact CG1-CG2 3.82Å; I25-V32 WeakPolarHBondContact O-CA 3.39Å; I25-H33 HydrophobicContact CG1-CB 4.23Å; I25-H33 PolarHBondContact N-O 3.09Å; I25-H33 PolarHBondContact O-N 2.79Å; I25-Y35 HydrophobicContact CD1-CD2 4Å; I25-Y35 HydrophobicContact CD1-CE2 3.61Å; I25-Y35 HydrophobicContact CG1-CD2 4.15Å; I25-Y35 HydrophobicContact CG1-CE2 3.94Å
26	S	97.5	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.7	167.1	167.3	0	0	0	0	109.7	T12 C13 N28 I55	T12-S26 PolarHBondContact N-O 3.01Å; T12-S26 WeakPolarHBondContact OG1-CB 3.41Å; T12-S26 PolarHBondContact OG1-O 3.21Å; T12-S26 VanDerWaalsContact OG1-O 3.14Å; T12-S26 PolarHBondContact OG1-OG 2.84Å; C13-S26 PolarHBondContact O-N 3.35Å; S26-N28 PolarHBondContact O-N 2.7Å; S26-I55 PolarHBondContact OG-O 3.04Å
27	P	95.9	Very high	96.7	Very high	13 Å²	13	42.7 Å²	42.7	8%	0.084	20%	0.197	C	C	.	.			trans	-82.9	53.4	-175.9	37.1	-37.8	0	0	0	111.6	L7 P10 N29 E31	L7-P27 HydrophobicContact CD1-CB 3.7Å; L7-P27 HydrophobicContact CD2-CB 3.57Å; L7-P27 HydrophobicContact CG-CB 4.3Å; P10-P27 CarbonylContact O-C 3.54Å; P27-N29 WeakPolarHBondContact CD-OD1 3.28Å; P27-N29 WeakPolarHBondContact CG-OD1 3.31Å; P27-N29 PolarHBondContact O-N 2.91Å; P27-E31 WeakPolarHBondContact CD-O 3.29Å
28	N	95.8	Very high	96.4	Very high	69 Å²	69	45.6 Å²	45.6	37%	0.369	22%	0.218	S	C	.	.	S	Bend	trans	54.6	32.3	-178.2	-163.1	37	0	0	0	114.7	E9 P10 T12 S26 H54	E9-N28 HydrophobicContact CB-CB 4.45Å; P10-N28 HydrophobicContact CB-CB 4.06Å; P10-N28 HydrophobicContact CG-CB 4.26Å; P10-N28 WeakPolarHBondContact O-CB 3.22Å; P10-N28 PolarHBondContact O-N 2.83Å; P10-N28 VanDerWaalsContact O-N 3.08Å; T12-N28 HydrophobicContact CG2-CB 4.03Å; T12-N28 WeakPolarHBondContact CG2-OD1 3.34Å; S26-N28 PolarHBondContact O-N 2.7Å; N28-H54 PolarHBondContact O-CE1 2.91Å; N28-H54 PolarHBondContact O-ND1 2.86Å
29	N	95.6	Very high	96	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	22%	0.217	C	C	.	.	S	Bend	trans	-137.2	-162.6	-178.8	75.4	1.1	0	0	0	111.3	P27 E31 H54 I55	P27-N29 WeakPolarHBondContact CD-OD1 3.28Å; P27-N29 WeakPolarHBondContact CG-OD1 3.31Å; P27-N29 PolarHBondContact O-N 2.91Å; N29-E31 VanDerWaalsContact C-N 3.34Å; N29-E31 PolarHBondContact ND2-OE2 3.08Å; N29-E31 WeakPolarHBondContact OD1-CB 3.28Å; N29-E31 PolarHBondContact OD1-N 3.27Å; N29-E31 PolarHBondContact OD1-O 3.28Å; N29-H54 WeakPolarHBondContact O-CA 3.47Å; N29-I55 PolarHBondContact O-N 3.4Å
30	H	97.3	Very high	95.5	Very high	83 Å²	83	43.4 Å²	43.4	38%	0.384	23%	0.233	S	C	.	.	S	Bend	trans	-93.7	14.8	-178	63.4	-83.8	0	0	0	113.4	H51 G53	H30-H51 HydrophobicContact CB-CB 4.46Å; H30-H51 WeakPolarHBondContact CB-O 3.46Å; H30-H51 PolarHBondContact CD2-O 2.79Å; H30-H51 WeakPolarHBondContact O-CB 3.45Å; H30-G53 WeakPolarHBondContact CA-O 3.45Å; H30-G53 WeakPolarHBondContact CB-O 3.31Å
31	E	97.9	Very high	95.2	Very high	21 Å²	21	46.5 Å²	46.5	10%	0.098	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.2	-174.5	-53.2	177.4	152.5	0	0	111	P27 N29 H33 L48 K49	P27-E31 WeakPolarHBondContact CD-O 3.29Å; N29-E31 VanDerWaalsContact C-N 3.34Å; N29-E31 PolarHBondContact ND2-OE2 3.08Å; N29-E31 WeakPolarHBondContact OD1-CB 3.28Å; N29-E31 PolarHBondContact OD1-N 3.27Å; N29-E31 PolarHBondContact OD1-O 3.28Å; E31-H33 IonicContact OE2-CD2 3.38Å; E31-H33 IonicContact OE2-CE1 3.68Å; E31-H33 IonicContact OE2-NE2 2.76Å; E31-H33 PolarHBondContact OE2-NE2 3.04Å; E31-L48 WeakPolarHBondContact CA-O 3.48Å; E31-K49 HydrophobicContact CG-CG 4.03Å; E31-K49 WeakPolarHBondContact OE1-CD 3.38Å; E31-K49 VanDerWaalsContact OE1-CE 3.31Å; E31-K49 WeakPolarHBondContact OE1-CE 3.18Å; E31-K49 IonicContact OE1-NZ 2.58Å; E31-K49 PolarHBondContact OE1-NZ 3.1Å
32	V	98.5	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.5	165	-178.5	0	0	0	0	109.4	A24 I25 E47 L48 I55 I58 T69	A24-V32 HydrophobicContact CB-CG1 3.74Å; I25-V32 WeakPolarHBondContact O-CA 3.39Å; V32-E47 WeakPolarHBondContact O-CA 3.3Å; V32-L48 HydrophobicContact CB-CB 4.07Å; V32-L48 HydrophobicContact CB-CD2 4.35Å; V32-L48 PolarHBondContact N-O 2.93Å; V32-L48 PolarHBondContact O-N 2.83Å; V32-I55 HydrophobicContact CG2-CD1 3.36Å; V32-I55 HydrophobicContact CG2-CG2 4.39Å; V32-I58 HydrophobicContact CB-CD1 4.37Å; V32-I58 HydrophobicContact CG1-CD1 3.82Å; V32-I58 HydrophobicContact CG2-CD1 3.71Å; V32-I58 HydrophobicContact CG2-CG1 4.07Å; V32-T69 HydrophobicContact CG2-CG2 3.72Å
33	H	98.4	Very high	95.1	Very high	21 Å²	21	47.6 Å²	47.6	10%	0.097	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.8	174.2	-64.9	-176.9	0	0	0	108.9	A24 I25 E31 Y35 K44 E47	A24-H33 WeakPolarHBondContact CA-O 3.42Å; I25-H33 HydrophobicContact CG1-CB 4.23Å; I25-H33 PolarHBondContact N-O 3.09Å; I25-H33 PolarHBondContact O-N 2.79Å; E31-H33 IonicContact OE2-CD2 3.38Å; E31-H33 IonicContact OE2-CE1 3.68Å; E31-H33 IonicContact OE2-NE2 2.76Å; E31-H33 PolarHBondContact OE2-NE2 3.04Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.57Å; H33-K44 HydrophobicContact CB-CD 4.01Å; H33-K44 HydrophobicContact CB-CG 4.44Å; H33-E47 IonicContact NE2-OE1 3.87Å
34	I	98.3	Very high	95	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119	177	-55.4	-179.2	0	0	0	109.2	Q22 I23 A24 T45 H46 L48 W60 I67 W86	Q22-I34 HydrophobicContact CB-CG2 4.13Å; I23-I34 CarbonylContact O-C 3.59Å; I23-I34 WeakPolarHBondContact O-CA 3.42Å; A24-I34 HydrophobicContact CB-CG1 4.17Å; I34-T45 PolarHBondContact O-N 2.64Å; I34-T45 PolarHBondContact O-OG1 2.81Å; I34-H46 HydrophobicContact CB-CB 4.05Å; I34-H46 HydrophobicContact CD1-CB 4.14Å; I34-H46 HydrophobicContact CG1-CB 4.3Å; I34-H46 PolarHBondContact N-O 3.4Å; I34-H46 PolarHBondContact O-N 3.46Å; I34-L48 HydrophobicContact CD1-CD1 3.65Å; I34-L48 HydrophobicContact CD1-CD2 4.33Å; I34-L48 HydrophobicContact CG1-CD1 4.07Å; I34-W60 HydrophobicContact CD1-CH2 4.19Å; I34-W60 HydrophobicContact CG2-CH2 3.86Å; I34-W60 HydrophobicContact CG2-CZ3 4.11Å; I34-I67 HydrophobicContact CD1-CD1 3.63Å; I34-W86 HydrophobicContact CD1-CD2 4.35Å; I34-W86 HydrophobicContact CD1-CZ2 4.11Å
35	Y	98	Very high	94.9	Very high	28 Å²	28	55 Å²	55	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.9	177.4	-70.1	-98.8	0	0	0	110.8	F6 Q22 I23 I25 H33 W42 L43 K44	F6-Y35 AromaticContact CD1-CD1 3.75Å; F6-Y35 HydrophobicContact CD1-CD1 3.75Å; F6-Y35 AromaticContact CD1-CD2 3.97Å; F6-Y35 HydrophobicContact CD1-CD2 3.97Å; F6-Y35 AromaticContact CD1-CE1 3.75Å; F6-Y35 HydrophobicContact CD1-CE1 3.75Å; F6-Y35 AromaticContact CD1-CE2 3.97Å; F6-Y35 HydrophobicContact CD1-CE2 3.97Å; F6-Y35 AromaticContact CD1-CG 3.88Å; F6-Y35 HydrophobicContact CD1-CG 3.88Å; F6-Y35 AromaticContact CD1-CZ 3.87Å; F6-Y35 AromaticContact CE1-CD1 3.56Å; F6-Y35 HydrophobicContact CE1-CD1 3.56Å; F6-Y35 AromaticContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CE1 4.07Å; F6-Y35 HydrophobicContact CE1-CE2 4.31Å; F6-Y35 AromaticContact CE1-CG 3.44Å; F6-Y35 HydrophobicContact CE1-CG 3.44Å; F6-Y35 VanDerWaalsContact CE1-CG 3.44Å; F6-Y35 HydrophobicContact CZ-CG 4.35Å; Q22-Y35 CarbonylContact C-O 3.57Å; Q22-Y35 WeakPolarHBondContact CA-O 3.2Å; I23-Y35 PolarHBondContact N-O 3.35Å; I23-Y35 PolarHBondContact O-N 3.11Å; I25-Y35 HydrophobicContact CD1-CD2 4Å; I25-Y35 HydrophobicContact CD1-CE2 3.61Å; I25-Y35 HydrophobicContact CG1-CD2 4.15Å; I25-Y35 HydrophobicContact CG1-CE2 3.94Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.57Å; Y35-W42 HydrophobicContact CD1-CB 4.18Å; Y35-L43 CarbonylContact C-O 3.54Å; Y35-L43 VanDerWaalsContact CA-O 3.26Å; Y35-L43 WeakPolarHBondContact CA-O 3.35Å; Y35-K44 HydrophobicContact CD1-CB 3.99Å; Y35-K44 HydrophobicContact CE1-CB 3.62Å; Y35-K44 HydrophobicContact CE1-CG 4.36Å; Y35-K44 HydrophobicContact CE2-CG 4.46Å
36	K	96.3	Very high	94.9	Very high	101 Å²	101	57.6 Å²	57.6	44%	0.439	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.6	173.2	-174.1	175.7	179.7	177.4	0	110.2	T21 Q22 L43 T45	T21-K36 WeakPolarHBondContact O-CA 3.45Å; Q22-K36 HydrophobicContact CG-CB 4.07Å; Q22-K36 HydrophobicContact CG-CG 4.06Å; K36-L43 PolarHBondContact N-O 3.08Å; K36-L43 PolarHBondContact O-N 2.94Å; K36-T45 HydrophobicContact CB-CG2 3.6Å; K36-T45 HydrophobicContact CD-CG2 4.47Å
37	K	92.2	Very high	94.9	Very high	91 Å²	91	61 Å²	61	40%	0.396	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127	174.6	-161.8	174.2	-178.4	177.8	0	110.5	T21 G39 W42	T21-K37 PolarHBondContact O-N 3.32Å; K37-G39 VanDerWaalsContact CE-O 3.27Å; K37-G39 WeakPolarHBondContact CE-O 3.08Å; K37-W42 HydrophobicContact CB-CD2 4.33Å; K37-W42 HydrophobicContact CB-CE3 4.02Å; K37-W42 HydrophobicContact CB-CH2 3.65Å; K37-W42 HydrophobicContact CB-CZ2 4.04Å; K37-W42 HydrophobicContact CB-CZ3 3.69Å; K37-W42 HydrophobicContact CD-CH2 4.15Å; K37-W42 HydrophobicContact CD-CZ2 3.89Å; K37-W42 HydrophobicContact CG-CH2 4.18Å; K37-W42 HydrophobicContact CG-CZ2 4.06Å
38	S	90.6	Very high	95	Very high	70 Å²	70	60.5 Å²	60.5	49%	0.49	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	101.8	171.9	-170.9	0	0	0	0	108.9	N40 Q41	S38-N40 PolarHBondContact O-N 3.36Å; S38-Q41 PolarHBondContact N-O 2.91Å; S38-Q41 PolarHBondContact O-N 3.11Å
39	G	87.1	Confident	95.1	Very high	61 Å²	61	62.7 Å²	62.7	63%	0.629	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-117.5	-170.5	0	0	0	0	0	111.8	K37	K37-G39 VanDerWaalsContact CE-O 3.27Å; K37-G39 WeakPolarHBondContact CE-O 3.08Å
40	N	84.3	Confident	95.2	Very high	163 Å²	163	65.1 Å²	65.1	87%	0.872	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	3.7	178.5	-70.8	-15.7	0	0	0	113.8	S38	S38-N40 PolarHBondContact O-N 3.36Å
41	Q	88.5	Confident	95.3	Very high	130 Å²	130	61.2 Å²	61.2	61%	0.607	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	154.5	-178.6	-66.7	-177.9	-9.7	0	0	111.3	S38	S38-Q41 PolarHBondContact N-O 2.91Å; S38-Q41 PolarHBondContact O-N 3.11Å
42	W	93.6	Very high	95.2	Very high	26 Å²	26	67.1 Å²	67.1	10%	0.098	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.8	168.4	-68.9	92.6	0	0	0	109.1	H4 F6 W16 I23 Y35 K37 M352	H4-W42 AromaticContact CD2-CD1 3.43Å; H4-W42 VanDerWaalsContact CD2-CD1 3.43Å; H4-W42 AromaticContact CE1-CD1 3.72Å; H4-W42 AromaticContact CG-CD1 3.56Å; H4-W42 AromaticContact ND1-CD1 3.73Å; H4-W42 AromaticContact NE2-CD1 3.52Å; H4-W42 AromaticContact NE2-CG 3.87Å; F6-W42 HydrophobicContact CE1-CB 3.55Å; F6-W42 HydrophobicContact CE1-CD2 4.37Å; F6-W42 AromaticContact CE1-CG 3.83Å; F6-W42 HydrophobicContact CE1-CG 3.83Å; F6-W42 HydrophobicContact CZ-CB 4.12Å; F6-W42 HydrophobicContact CZ-CD2 4.07Å; F6-W42 AromaticContact CZ-CG 3.87Å; F6-W42 HydrophobicContact CZ-CG 3.87Å; W16-W42 AromaticContact CH2-CH2 3.37Å; W16-W42 HydrophobicContact CH2-CH2 3.37Å; W16-W42 AromaticContact CH2-CZ2 3.73Å; W16-W42 HydrophobicContact CH2-CZ2 3.73Å; W16-W42 HydrophobicContact CH2-CZ3 4.12Å; W16-W42 AromaticContact CZ3-CH2 3.37Å; W16-W42 HydrophobicContact CZ3-CH2 3.37Å; W16-W42 HydrophobicContact CZ3-CZ2 4.2Å; W16-W42 AromaticContact CZ3-CZ3 3.92Å; W16-W42 HydrophobicContact CZ3-CZ3 3.92Å; I23-W42 HydrophobicContact CG2-CE3 4.02Å; I23-W42 HydrophobicContact CG2-CZ3 3.95Å; Y35-W42 HydrophobicContact CD1-CB 4.18Å; K37-W42 HydrophobicContact CB-CD2 4.33Å; K37-W42 HydrophobicContact CB-CE3 4.02Å; K37-W42 HydrophobicContact CB-CH2 3.65Å; K37-W42 HydrophobicContact CB-CZ2 4.04Å; K37-W42 HydrophobicContact CB-CZ3 3.69Å; K37-W42 HydrophobicContact CD-CH2 4.15Å; K37-W42 HydrophobicContact CD-CZ2 3.89Å; K37-W42 HydrophobicContact CG-CH2 4.18Å; K37-W42 HydrophobicContact CG-CZ2 4.06Å; W42-M352 HydrophobicContact CZ2-CE 4.08Å
43	L	95.6	Very high	95.2	Very high	83 Å²	83	67.9 Å²	67.9	44%	0.435	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.7	-178.5	-62.2	174	0	0	0	109.2	Y35 K36 T45	Y35-L43 CarbonylContact C-O 3.54Å; Y35-L43 VanDerWaalsContact CA-O 3.26Å; Y35-L43 WeakPolarHBondContact CA-O 3.35Å; K36-L43 PolarHBondContact N-O 3.08Å; K36-L43 PolarHBondContact O-N 2.94Å; L43-T45 PolarHBondContact O-N 3.22Å
44	K	96.5	Very high	95.1	Very high	98 Å²	98	71.9 Å²	71.9	43%	0.426	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	119.1	172.8	-169.4	172.1	65.4	161.8	0	108.5	H33 Y35 E47	H33-K44 HydrophobicContact CB-CD 4.01Å; H33-K44 HydrophobicContact CB-CG 4.44Å; Y35-K44 HydrophobicContact CD1-CB 3.99Å; Y35-K44 HydrophobicContact CE1-CB 3.62Å; Y35-K44 HydrophobicContact CE1-CG 4.36Å; Y35-K44 HydrophobicContact CE2-CG 4.46Å; K44-E47 IonicContact NZ-OE2 2.9Å; K44-E47 PolarHBondContact NZ-OE2 2.85Å
45	T	97	Very high	95.1	Very high	59 Å²	59	71.9 Å²	71.9	36%	0.362	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-32.6	-176.9	51.3	0	0	0	0	112.7	I34 K36 L43	I34-T45 PolarHBondContact O-N 2.64Å; I34-T45 PolarHBondContact O-OG1 2.81Å; K36-T45 HydrophobicContact CB-CG2 3.6Å; K36-T45 HydrophobicContact CD-CG2 4.47Å; L43-T45 PolarHBondContact O-N 3.22Å
46	H	97.8	Very high	95.1	Very high	54 Å²	54	72.5 Å²	72.5	25%	0.25	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.3	179.5	-55.2	-76.7	0	0	0	112.1	I34 L48 G84 W86	I34-H46 HydrophobicContact CB-CB 4.05Å; I34-H46 HydrophobicContact CD1-CB 4.14Å; I34-H46 HydrophobicContact CG1-CB 4.3Å; I34-H46 PolarHBondContact N-O 3.4Å; I34-H46 PolarHBondContact O-N 3.46Å; H46-L48 HydrophobicContact CB-CD1 4.1Å; H46-G84 PolarHBondContact CE1-O 2.87Å; H46-G84 VanDerWaalsContact CE1-O 3.27Å; H46-W86 AromaticContact CD2-CD1 3.94Å; H46-W86 AromaticContact CD2-NE1 3.62Å; H46-W86 AromaticContact CG-CD1 3.64Å; H46-W86 AromaticContact CG-NE1 3.81Å; H46-W86 AromaticContact ND1-CD1 3.88Å; H46-W86 AromaticContact NE2-NE1 3.99Å
47	E	97.7	Very high	95.2	Very high	70 Å²	70	67.8 Å²	67.8	33%	0.327	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	118.6	178	-159.7	165.6	151.3	0	0	108.4	V32 H33 K44 K49	V32-E47 WeakPolarHBondContact O-CA 3.3Å; H33-E47 IonicContact NE2-OE1 3.87Å; K44-E47 IonicContact NZ-OE2 2.9Å; K44-E47 PolarHBondContact NZ-OE2 2.85Å; E47-K49 HydrophobicContact CG-CG 4.11Å; E47-K49 WeakPolarHBondContact OE1-CE 3.46Å; E47-K49 IonicContact OE1-NZ 2.79Å; E47-K49 PolarHBondContact OE1-NZ 2.74Å
48	L	98.4	Very high	95.6	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.1	-175.6	-77.8	57	0	0	0	107.7	E31 V32 I34 H46 I67 W79 W86	E31-L48 WeakPolarHBondContact CA-O 3.48Å; V32-L48 HydrophobicContact CB-CB 4.07Å; V32-L48 HydrophobicContact CB-CD2 4.35Å; V32-L48 PolarHBondContact N-O 2.93Å; V32-L48 PolarHBondContact O-N 2.83Å; I34-L48 HydrophobicContact CD1-CD1 3.65Å; I34-L48 HydrophobicContact CD1-CD2 4.33Å; I34-L48 HydrophobicContact CG1-CD1 4.07Å; H46-L48 HydrophobicContact CB-CD1 4.1Å; L48-I67 HydrophobicContact CD2-CD1 4.31Å; L48-W79 HydrophobicContact CB-CD2 4.28Å; L48-W79 HydrophobicContact CB-CE3 4.06Å; L48-W79 HydrophobicContact CB-CH2 3.63Å; L48-W79 HydrophobicContact CB-CZ2 3.9Å; L48-W79 HydrophobicContact CB-CZ3 3.71Å; L48-W79 HydrophobicContact CD2-CB 4.22Å; L48-W79 HydrophobicContact CD2-CD2 3.54Å; L48-W79 HydrophobicContact CD2-CE3 3.79Å; L48-W79 HydrophobicContact CD2-CG 3.73Å; L48-W79 HydrophobicContact CD2-CZ2 4.48Å; L48-W79 HydrophobicContact CD2-CZ3 4.33Å; L48-W79 HydrophobicContact CG-CD2 3.94Å; L48-W79 HydrophobicContact CG-CE3 3.66Å; L48-W79 HydrophobicContact CG-CH2 4.19Å; L48-W79 HydrophobicContact CG-CZ2 4.47Å; L48-W79 HydrophobicContact CG-CZ3 3.79Å; L48-W86 HydrophobicContact CD1-CB 3.99Å; L48-W86 HydrophobicContact CD1-CG 3.95Å; L48-W86 HydrophobicContact CD2-CB 4.49Å; L48-W86 HydrophobicContact CG-CB 4.05Å; L48-W86 HydrophobicContact CG-CG 4.38Å
49	K	97.4	Very high	95.9	Very high	115 Å²	115	61.4 Å²	61.4	50%	0.5	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	92.8	-172.4	-52.2	-172.7	-171.9	-125	0	111.2	E31 E47	E31-K49 HydrophobicContact CG-CG 4.03Å; E31-K49 WeakPolarHBondContact OE1-CD 3.38Å; E31-K49 VanDerWaalsContact OE1-CE 3.31Å; E31-K49 WeakPolarHBondContact OE1-CE 3.18Å; E31-K49 IonicContact OE1-NZ 2.58Å; E31-K49 PolarHBondContact OE1-NZ 3.1Å; E47-K49 HydrophobicContact CG-CG 4.11Å; E47-K49 WeakPolarHBondContact OE1-CE 3.46Å; E47-K49 IonicContact OE1-NZ 2.79Å; E47-K49 PolarHBondContact OE1-NZ 2.74Å
50	E	98.3	Very high	96.5	Very high	90 Å²	90	59 Å²	59	42%	0.421	30%	0.295	S	S	.	.			trans	-145.6	-20.4	176.6	-159.9	69.3	-139.7	0	0	113	Y77 W79 P88	E50-Y77 HydrophobicContact CB-CD2 4.34Å; E50-Y77 HydrophobicContact CB-CE1 4.44Å; E50-Y77 HydrophobicContact CB-CE2 4.07Å; E50-Y77 HydrophobicContact CG-CD1 4.09Å; E50-Y77 HydrophobicContact CG-CD2 4.44Å; E50-Y77 HydrophobicContact CG-CE1 3.56Å; E50-Y77 HydrophobicContact CG-CE2 3.95Å; E50-Y77 VanDerWaalsContact CG-CZ 3.47Å; E50-Y77 PolarHBondContact O-OH 2.83Å; E50-W79 HydrophobicContact CB-CH2 3.49Å; E50-W79 VanDerWaalsContact CB-CH2 3.49Å; E50-W79 HydrophobicContact CB-CZ2 3.88Å; E50-W79 HydrophobicContact CB-CZ3 4.49Å; E50-P88 HydrophobicContact CB-CB 4.33Å; E50-P88 HydrophobicContact CB-CG 4.15Å; E50-P88 HydrophobicContact CG-CB 4.12Å; E50-P88 HydrophobicContact CG-CG 3.82Å; E50-P88 WeakPolarHBondContact OE2-CG 3.32Å
51	H	98.3	Very high	97.2	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	25%	0.254	C	S	.	.			trans	-73.2	146.8	174	-79.2	-77.9	0	0	0	111	H30 I55 T69 D73 N75 Y77	H30-H51 HydrophobicContact CB-CB 4.46Å; H30-H51 WeakPolarHBondContact CB-O 3.46Å; H30-H51 PolarHBondContact CD2-O 2.79Å; H30-H51 WeakPolarHBondContact O-CB 3.45Å; H51-I55 HydrophobicContact CB-CD1 4.36Å; H51-I55 HydrophobicContact CB-CG1 4.05Å; H51-T69 PolarHBondContact CD2-OG1 3.26Å; H51-T69 WeakPolarHBondContact NE2-CB 3.18Å; H51-T69 PolarHBondContact NE2-OG1 2.92Å; H51-D73 VanDerWaalsContact CA-OD2 3.26Å; H51-D73 WeakPolarHBondContact CA-OD2 3.36Å; H51-D73 WeakPolarHBondContact CB-OD2 3.29Å; H51-D73 IonicContact CE1-OD1 2.69Å; H51-D73 IonicContact CG-OD2 3.9Å; H51-D73 VanDerWaalsContact ND1-CG 3.34Å; H51-D73 IonicContact ND1-OD1 2.97Å; H51-D73 PolarHBondContact ND1-OD1 3.13Å; H51-D73 VanDerWaalsContact ND1-OD1 3.09Å; H51-D73 IonicContact ND1-OD2 3.72Å; H51-D73 PolarHBondContact ND1-OD2 3.25Å; H51-N75 PolarHBondContact CE1-O 3.16Å; H51-Y77 AromaticContact CD2-CD2 3.78Å; H51-Y77 AromaticContact CE1-CD2 3.55Å; H51-Y77 AromaticContact CE1-CE2 3.84Å; H51-Y77 AromaticContact CG-CE2 3.97Å; H51-Y77 AromaticContact ND1-CD2 3.92Å; H51-Y77 AromaticContact ND1-CE2 3.76Å; H51-Y77 AromaticContact NE2-CD2 3.47Å; H51-Y77 WeakPolarHBondContact NE2-CD2 3.12Å
52	N	97.1	Very high	97.5	Very high	145 Å²	145	47.8 Å²	47.8	78%	0.775	24%	0.243	S	C	*	.	S	Bend	trans	-107.5	14.2	175.5	-72.2	-42	0	0	0	112.5	D73	N52-D73 HydrophobicContact CB-CB 4.37Å; N52-D73 PolarHBondContact N-OD2 3.45Å
53	G	97	Very high	97.7	Very high	16 Å²	16	52.8 Å²	52.8	17%	0.165	27%	0.265	C	S	.	.	S	Bend	trans	-155.7	170.7	178.6	0	0	0	0	0	110.2	H30 I55	H30-G53 WeakPolarHBondContact CA-O 3.45Å; H30-G53 WeakPolarHBondContact CB-O 3.31Å; G53-I55 PolarHBondContact O-N 3.25Å
54	H	97.3	Very high	97.7	Very high	104 Å²	104	50.8 Å²	50.8	48%	0.481	26%	0.258	S	S	.	.			trans	-55.2	132.1	-177.4	-65	-74.5	0	0	0	111.9	N28 N29 G71 A72	N28-H54 PolarHBondContact O-CE1 2.91Å; N28-H54 PolarHBondContact O-ND1 2.86Å; N29-H54 WeakPolarHBondContact O-CA 3.47Å; H54-G71 CarbonylContact O-C 3.59Å; H54-G71 WeakPolarHBondContact O-CA 3.46Å; H54-A72 PolarHBondContact O-N 2.87Å
55	I	98.4	Very high	97.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.7	173.3	-62.3	-178.7	0	0	0	108.1	T12 S26 N29 V32 H51 G53 I58	T12-I55 PolarHBondContact OG1-O 3.46Å; S26-I55 PolarHBondContact OG-O 3.04Å; N29-I55 PolarHBondContact O-N 3.4Å; V32-I55 HydrophobicContact CG2-CD1 3.36Å; V32-I55 HydrophobicContact CG2-CG2 4.39Å; H51-I55 HydrophobicContact CB-CD1 4.36Å; H51-I55 HydrophobicContact CB-CG1 4.05Å; G53-I55 PolarHBondContact O-N 3.25Å; I55-I58 HydrophobicContact CG2-CD1 4.33Å; I55-I58 HydrophobicContact CG2-CG1 3.84Å
56	T	98.4	Very high	97.8	Very high	41 Å²	41	49.7 Å²	49.7	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-15.9	-174.3	54.4	0	0	0	0	112.7	C70 A99	T56-C70 PolarHBondContact N-O 2.94Å; T56-C70 PolarHBondContact OG1-O 2.79Å; T56-A99 PolarHBondContact OG1-O 3.12Å
57	G	98.5	Very high	97.9	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	141.8	176.7	0	0	0	0	0	112.1	T69 C70	G57-T69 WeakPolarHBondContact O-CA 3.37Å; G57-C70 PolarHBondContact N-O 2.89Å; G57-C70 PolarHBondContact O-N 2.87Å
58	I	98.9	Very high	97.9	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.8	173.2	-57.2	166.3	0	0	0	107.1	A15 A24 V32 I55 I67 V68 T69	A15-I58 HydrophobicContact CB-CB 4.39Å; A15-I58 HydrophobicContact CB-CG2 3.75Å; A24-I58 HydrophobicContact CB-CG2 4.17Å; V32-I58 HydrophobicContact CB-CD1 4.37Å; V32-I58 HydrophobicContact CG1-CD1 3.82Å; V32-I58 HydrophobicContact CG2-CD1 3.71Å; V32-I58 HydrophobicContact CG2-CG1 4.07Å; I55-I58 HydrophobicContact CG2-CD1 4.33Å; I55-I58 HydrophobicContact CG2-CG1 3.84Å; I58-I67 HydrophobicContact CG2-CG2 3.8Å; I58-V68 WeakPolarHBondContact CA-O 3.43Å; I58-T69 HydrophobicContact CG1-CG2 4.23Å; I58-T69 HydrophobicContact CG2-CG2 4.5Å
59	D	98.9	Very high	98	Very high	24 Å²	24	43.7 Å²	43.7	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144	166.5	-155.1	40.5	0	0	0	110.8	I67 V68 K103 W104	D59-I67 CarbonylContact O-C 3.58Å; D59-I67 WeakPolarHBondContact O-CA 3.35Å; D59-V68 HydrophobicContact CB-CG1 3.86Å; D59-V68 PolarHBondContact N-O 2.93Å; D59-V68 PolarHBondContact O-N 3.22Å; D59-K103 HydrophobicContact CB-CD 4.16Å; D59-K103 VanDerWaalsContact CG-CD 3.44Å; D59-K103 WeakPolarHBondContact OD1-CD 3.34Å; D59-K103 IonicContact OD1-NZ 3.47Å; D59-K103 PolarHBondContact OD1-NZ 2.77Å; D59-K103 WeakPolarHBondContact OD2-CA 3.3Å; D59-K103 WeakPolarHBondContact OD2-CD 3.46Å; D59-W104 PolarHBondContact O-NE1 2.92Å; D59-W104 WeakPolarHBondContact OD2-CB 3.15Å; D59-W104 PolarHBondContact OD2-N 3.48Å
60	W	98.7	Very high	98	Very high	10 Å²	10	38.2 Å²	38.2	4%	0.038	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.6	-174.2	-158.6	-29.3	0	0	0	109.5	A15 N17 Q22 A24 I34 P62 D65 I67 W86	A15-W60 HydrophobicContact CB-CB 3.79Å; N17-W60 HydrophobicContact CB-CD2 3.76Å; N17-W60 HydrophobicContact CB-CE3 4Å; N17-W60 HydrophobicContact CB-CG 4.41Å; N17-W60 HydrophobicContact CB-CH2 3.84Å; N17-W60 HydrophobicContact CB-CZ2 3.58Å; N17-W60 HydrophobicContact CB-CZ3 4.04Å; Q22-W60 HydrophobicContact CB-CH2 3.82Å; Q22-W60 HydrophobicContact CB-CZ3 4.12Å; A24-W60 HydrophobicContact CB-CE3 3.84Å; A24-W60 HydrophobicContact CB-CZ3 3.79Å; I34-W60 HydrophobicContact CD1-CH2 4.19Å; I34-W60 HydrophobicContact CG2-CH2 3.86Å; I34-W60 HydrophobicContact CG2-CZ3 4.11Å; W60-P62 VanDerWaalsContact O-CD 3.3Å; W60-P62 WeakPolarHBondContact O-CD 3.46Å; W60-D65 PolarHBondContact NE1-OD1 3.29Å; W60-I67 HydrophobicContact CB-CG1 4.34Å; W60-I67 HydrophobicContact CD2-CD1 3.81Å; W60-I67 HydrophobicContact CD2-CG1 3.52Å; W60-I67 HydrophobicContact CE3-CD1 3.9Å; W60-I67 HydrophobicContact CE3-CG1 4.05Å; W60-I67 HydrophobicContact CG-CD1 4.47Å; W60-I67 HydrophobicContact CG-CG1 3.66Å; W60-I67 HydrophobicContact CH2-CD1 3.98Å; W60-I67 HydrophobicContact CZ2-CD1 3.89Å; W60-I67 HydrophobicContact CZ2-CG1 4.24Å; W60-I67 HydrophobicContact CZ3-CD1 3.99Å; W60-W86 HydrophobicContact CH2-CZ2 4.21Å; W60-W86 AromaticContact CZ2-CH2 3.77Å; W60-W86 HydrophobicContact CZ2-CH2 3.77Å; W60-W86 AromaticContact CZ2-CZ2 3.6Å; W60-W86 HydrophobicContact CZ2-CZ2 3.6Å
61	A	98.3	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.			trans	-72.3	113.4	-178.1	0	0	0	0	0	110	K63 S64 D65 R66 W104 E108	A61-K63 PolarHBondContact O-N 3.4Å; A61-S64 VanDerWaalsContact CB-OG 3.28Å; A61-S64 WeakPolarHBondContact CB-OG 3.46Å; A61-D65 WeakPolarHBondContact O-CA 3.38Å; A61-D65 PolarHBondContact O-N 2.66Å; A61-R66 HydrophobicContact CB-CB 4.31Å; A61-R66 VanDerWaalsContact CB-O 3.29Å; A61-R66 WeakPolarHBondContact CB-O 3.49Å; A61-R66 PolarHBondContact N-O 3.12Å; A61-W104 HydrophobicContact CB-CD2 4.04Å; A61-W104 HydrophobicContact CB-CG 3.93Å; A61-E108 HydrophobicContact CB-CB 4.36Å; A61-E108 HydrophobicContact CB-CG 3.9Å; A61-E108 VanDerWaalsContact CB-OE2 3.31Å; A61-E108 WeakPolarHBondContact CB-OE2 3.15Å
62	P	96.3	Very high	98	Very high	58 Å²	58	36 Å²	36	38%	0.377	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.4	-170.1	27.4	-36.2	0	0	0	115.4	R18 W60 E108	R18-P62 HydrophobicContact CB-CB 3.99Å; R18-P62 VanDerWaalsContact CB-O 3.26Å; R18-P62 WeakPolarHBondContact CB-O 3.46Å; R18-P62 WeakPolarHBondContact CD-O 3.48Å; R18-P62 HydrophobicContact CG-CB 4.01Å; R18-P62 WeakPolarHBondContact CG-O 3.41Å; W60-P62 VanDerWaalsContact O-CD 3.3Å; W60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-E108 WeakPolarHBondContact CD-OE1 3.48Å; P62-E108 WeakPolarHBondContact CG-OE1 3.15Å
63	K	96.4	Very high	98	Very high	130 Å²	130	30.1 Å²	30.1	57%	0.565	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-43.5	-179.7	-59.8	164.3	-177.7	163.1	0	111.5	A61 P106 E108	A61-K63 PolarHBondContact O-N 3.4Å; K63-P106 PolarHBondContact NZ-O 2.88Å; K63-P106 VanDerWaalsContact NZ-O 3.1Å; K63-E108 WeakPolarHBondContact CB-OE1 3.37Å; K63-E108 WeakPolarHBondContact CB-OE2 3.12Å; K63-E108 VanDerWaalsContact CG-OE1 3.25Å; K63-E108 WeakPolarHBondContact CG-OE1 3.36Å; K63-E108 PolarHBondContact N-OE1 2.83Å; K63-E108 PolarHBondContact N-OE2 3.02Å
64	S	96.8	Very high	98.1	Very high	41 Å²	41	35.8 Å²	35.8	29%	0.287	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.9	-176.4	58.1	0	0	0	0	114.3	A61 R66 E108	A61-S64 VanDerWaalsContact CB-OG 3.28Å; A61-S64 WeakPolarHBondContact CB-OG 3.46Å; S64-R66 VanDerWaalsContact CB-CZ 3.42Å; S64-R66 PolarHBondContact O-N 3.36Å; S64-R66 VanDerWaalsContact OG-CZ 3.31Å; S64-R66 PolarHBondContact OG-NE 3.25Å; S64-R66 PolarHBondContact OG-NH2 2.86Å; S64-E108 VanDerWaalsContact CB-OE2 3.28Å; S64-E108 WeakPolarHBondContact CB-OE2 3.29Å; S64-E108 PolarHBondContact N-OE2 3.03Å; S64-E108 PolarHBondContact OG-OE2 3.4Å
65	D	97.3	Very high	98.1	Very high	60 Å²	60	33.2 Å²	33.2	32%	0.321	17%	0.169	S	C	.	.			trans	53.9	34.1	-177.3	-156	32.4	0	0	0	113.4	W60 A61 W86	W60-D65 PolarHBondContact NE1-OD1 3.29Å; A61-D65 WeakPolarHBondContact O-CA 3.38Å; A61-D65 PolarHBondContact O-N 2.66Å; D65-W86 VanDerWaalsContact O-CH2 3.31Å; D65-W86 WeakPolarHBondContact O-CH2 2.89Å; D65-W86 WeakPolarHBondContact O-CZ3 3.31Å
66	R	98.4	Very high	98.1	Very high	75 Å²	75	33.1 Å²	33.1	28%	0.283	17%	0.169	S	C	.	.			trans	-97.2	137.5	175	-66.3	-173.8	-64.2	-111	1.8	110.4	A61 S64 V78 W79 W104 E108	A61-R66 HydrophobicContact CB-CB 4.31Å; A61-R66 VanDerWaalsContact CB-O 3.29Å; A61-R66 WeakPolarHBondContact CB-O 3.49Å; A61-R66 PolarHBondContact N-O 3.12Å; S64-R66 VanDerWaalsContact CB-CZ 3.42Å; S64-R66 PolarHBondContact O-N 3.36Å; S64-R66 VanDerWaalsContact OG-CZ 3.31Å; S64-R66 PolarHBondContact OG-NE 3.25Å; S64-R66 PolarHBondContact OG-NH2 2.86Å; R66-V78 HydrophobicContact CB-CG1 4.31Å; R66-W79 WeakPolarHBondContact CA-O 3.46Å; R66-W104 HydrophobicContact CB-CZ2 4.07Å; R66-W104 PolarHBondContact O-NE1 3.35Å; R66-E108 PolarHBondContact NH2-O 2.76Å
67	I	98.8	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.3	169.5	-61.5	168.5	0	0	0	107.7	A24 I34 L48 I58 D59 W60 T69 V78 W79 W86	A24-I67 HydrophobicContact CB-CD1 4.44Å; I34-I67 HydrophobicContact CD1-CD1 3.63Å; L48-I67 HydrophobicContact CD2-CD1 4.31Å; I58-I67 HydrophobicContact CG2-CG2 3.8Å; D59-I67 CarbonylContact O-C 3.58Å; D59-I67 WeakPolarHBondContact O-CA 3.35Å; W60-I67 HydrophobicContact CB-CG1 4.34Å; W60-I67 HydrophobicContact CD2-CD1 3.81Å; W60-I67 HydrophobicContact CD2-CG1 3.52Å; W60-I67 HydrophobicContact CE3-CD1 3.9Å; W60-I67 HydrophobicContact CE3-CG1 4.05Å; W60-I67 HydrophobicContact CG-CD1 4.47Å; W60-I67 HydrophobicContact CG-CG1 3.66Å; W60-I67 HydrophobicContact CH2-CD1 3.98Å; W60-I67 HydrophobicContact CZ2-CD1 3.89Å; W60-I67 HydrophobicContact CZ2-CG1 4.24Å; W60-I67 HydrophobicContact CZ3-CD1 3.99Å; I67-T69 HydrophobicContact CG2-CG2 3.93Å; I67-V78 CarbonylContact O-C 3.53Å; I67-V78 WeakPolarHBondContact O-CA 3.4Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 2.88Å; I67-W79 VanDerWaalsContact N-O 3.11Å; I67-W79 PolarHBondContact O-N 2.95Å; I67-W86 HydrophobicContact CB-CZ3 4.29Å; I67-W86 HydrophobicContact CD1-CD2 4.45Å; I67-W86 HydrophobicContact CD1-CE3 4.25Å; I67-W86 HydrophobicContact CD1-CH2 3.58Å; I67-W86 HydrophobicContact CD1-CZ2 3.83Å; I67-W86 HydrophobicContact CD1-CZ3 3.81Å; I67-W86 HydrophobicContact CG1-CH2 3.77Å; I67-W86 HydrophobicContact CG1-CZ2 4.5Å; I67-W86 HydrophobicContact CG1-CZ3 3.84Å
68	V	98.9	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.4	164.8	67.6	0	0	0	0	108.9	I58 D59 Y77 V78 V102 W104 F111	I58-V68 WeakPolarHBondContact CA-O 3.43Å; D59-V68 HydrophobicContact CB-CG1 3.86Å; D59-V68 PolarHBondContact N-O 2.93Å; D59-V68 PolarHBondContact O-N 3.22Å; V68-Y77 WeakPolarHBondContact CA-O 3.45Å; V68-V78 HydrophobicContact CG2-CG2 4.16Å; V68-V102 HydrophobicContact CB-CG2 4.3Å; V68-V102 HydrophobicContact CG1-CB 4.42Å; V68-V102 HydrophobicContact CG1-CG1 4.02Å; V68-V102 HydrophobicContact CG1-CG2 3.5Å; V68-V102 HydrophobicContact CG2-CG2 3.79Å; V68-W104 HydrophobicContact CB-CZ2 3.87Å; V68-W104 HydrophobicContact CG1-CD2 4.36Å; V68-W104 HydrophobicContact CG1-CG 4.21Å; V68-W104 HydrophobicContact CG1-CZ2 4.4Å; V68-W104 VanDerWaalsContact CG1-NE1 3.25Å; V68-F111 HydrophobicContact CG2-CD1 4.42Å; V68-F111 HydrophobicContact CG2-CD2 3.96Å; V68-F111 HydrophobicContact CG2-CE1 4.27Å; V68-F111 HydrophobicContact CG2-CE2 3.8Å; V68-F111 HydrophobicContact CG2-CG 4.25Å; V68-F111 HydrophobicContact CG2-CZ 3.95Å
69	T	98.9	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.8	175.4	61.5	0	0	0	0	109.7	V32 H51 G57 I58 I67 A76 Y77 W79	V32-T69 HydrophobicContact CG2-CG2 3.72Å; H51-T69 PolarHBondContact CD2-OG1 3.26Å; H51-T69 WeakPolarHBondContact NE2-CB 3.18Å; H51-T69 PolarHBondContact NE2-OG1 2.92Å; G57-T69 WeakPolarHBondContact O-CA 3.37Å; I58-T69 HydrophobicContact CG1-CG2 4.23Å; I58-T69 HydrophobicContact CG2-CG2 4.5Å; I67-T69 HydrophobicContact CG2-CG2 3.93Å; T69-A76 CarbonylContact O-C 3.58Å; T69-A76 WeakPolarHBondContact O-CA 3.23Å; T69-A76 VanDerWaalsContact O-CB 3.32Å; T69-A76 WeakPolarHBondContact O-CB 3.45Å; T69-Y77 PolarHBondContact N-O 2.96Å; T69-Y77 PolarHBondContact O-N 2.75Å; T69-W79 PolarHBondContact OG1-NE1 3.28Å
70	C	98.8	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.8	169.3	73.2	0	0	0	0	110.8	T56 G57 N75 A76 A99 F101 V102 V113	T56-C70 PolarHBondContact N-O 2.94Å; T56-C70 PolarHBondContact OG1-O 2.79Å; G57-C70 PolarHBondContact N-O 2.89Å; G57-C70 PolarHBondContact O-N 2.87Å; C70-N75 WeakPolarHBondContact CA-O 3.33Å; C70-A76 HydrophobicContact CB-CB 4.3Å; C70-A99 HydrophobicContact CB-CB 3.64Å; C70-F101 VanDerWaalsContact SG-C 3.58Å; C70-V102 HydrophobicContact CB-CB 4.22Å; C70-V102 HydrophobicContact CB-CG1 4.31Å; C70-V113 HydrophobicContact CB-CG1 4.1Å
71	G	98.2	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	177.2	-173.8	0	0	0	0	0	116.2	H54 D73 R74 N75 A99	H54-G71 CarbonylContact O-C 3.59Å; H54-G71 WeakPolarHBondContact O-CA 3.46Å; G71-D73 PolarHBondContact O-N 2.58Å; G71-R74 PolarHBondContact O-N 2.69Å; G71-R74 VanDerWaalsContact O-N 3.12Å; G71-N75 PolarHBondContact N-O 3.05Å; G71-A99 WeakPolarHBondContact O-CB 3.46Å; G71-A99 PolarHBondContact O-N 3.06Å; G71-A99 VanDerWaalsContact O-N 3.1Å
72	A	98.2	Very high	97.7	Very high	45 Å²	45	43.1 Å²	43.1	37%	0.372	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.2	177.6	0	0	0	0	0	113.2	H54 R74 A98	H54-A72 PolarHBondContact O-N 2.87Å; A72-R74 PolarHBondContact O-N 3.29Å; A72-A98 HydrophobicContact CB-CB 4.31Å
73	D	97.9	Very high	97.5	Very high	23 Å²	23	50 Å²	50	12%	0.123	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.6	172.9	65	-3.1	0	0	0	114.1	H51 N52 G71 N75	H51-D73 VanDerWaalsContact CA-OD2 3.26Å; H51-D73 WeakPolarHBondContact CA-OD2 3.36Å; H51-D73 WeakPolarHBondContact CB-OD2 3.29Å; H51-D73 IonicContact CE1-OD1 2.69Å; H51-D73 IonicContact CG-OD2 3.9Å; H51-D73 VanDerWaalsContact ND1-CG 3.34Å; H51-D73 IonicContact ND1-OD1 2.97Å; H51-D73 PolarHBondContact ND1-OD1 3.13Å; H51-D73 VanDerWaalsContact ND1-OD1 3.09Å; H51-D73 IonicContact ND1-OD2 3.72Å; H51-D73 PolarHBondContact ND1-OD2 3.25Å; N52-D73 HydrophobicContact CB-CB 4.37Å; N52-D73 PolarHBondContact N-OD2 3.45Å; G71-D73 PolarHBondContact O-N 2.58Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 2.97Å; D73-N75 VanDerWaalsContact OD1-N 3.08Å
74	R	98.3	Very high	97.3	Very high	134 Å²	134	45.6 Å²	45.6	51%	0.506	23%	0.232	S	C	.	.	S	Bend	trans	76.4	9.7	177.6	-45.8	172	-69.2	-171.6	0.6	113.9	G71 A72 I95 R97	G71-R74 PolarHBondContact O-N 2.69Å; G71-R74 VanDerWaalsContact O-N 3.12Å; A72-R74 PolarHBondContact O-N 3.29Å; R74-I95 HydrophobicContact CB-CD1 4.33Å; R74-I95 HydrophobicContact CB-CG1 4.02Å; R74-R97 WeakPolarHBondContact CG-O 3.38Å
75	N	97.8	Very high	97.2	Very high	50 Å²	50	47.2 Å²	47.2	27%	0.267	24%	0.24	S	C	.	.			trans	-101.1	159.2	179.5	-64.8	-28.3	0	0	0	110.5	H51 C70 G71 D73 Y77 L90	H51-N75 PolarHBondContact CE1-O 3.16Å; C70-N75 WeakPolarHBondContact CA-O 3.33Å; G71-N75 PolarHBondContact N-O 3.05Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 2.97Å; D73-N75 VanDerWaalsContact OD1-N 3.08Å; N75-Y77 HydrophobicContact CB-CE2 4.08Å; N75-L90 HydrophobicContact CB-CD1 4.02Å
76	A	98.7	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.9	158.9	0	0	0	0	0	109	T69 C70 V91 L93 F111	T69-A76 CarbonylContact O-C 3.58Å; T69-A76 WeakPolarHBondContact O-CA 3.23Å; T69-A76 VanDerWaalsContact O-CB 3.32Å; T69-A76 WeakPolarHBondContact O-CB 3.45Å; C70-A76 HydrophobicContact CB-CB 4.3Å; A76-V91 HydrophobicContact CB-CB 4.29Å; A76-V91 PolarHBondContact O-N 2.93Å; A76-L93 HydrophobicContact CB-CD1 3.89Å; A76-L93 HydrophobicContact CB-CD2 3.88Å; A76-L93 HydrophobicContact CB-CG 4.01Å; A76-F111 HydrophobicContact CB-CE2 4.5Å
77	Y	98.8	Very high	97.2	Very high	19 Å²	19	47 Å²	47	8%	0.075	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.4	173.3	-64.9	-80	0	0	0	109.6	E50 H51 V68 T69 N75 P88 T89 L90	E50-Y77 HydrophobicContact CB-CD2 4.34Å; E50-Y77 HydrophobicContact CB-CE1 4.44Å; E50-Y77 HydrophobicContact CB-CE2 4.07Å; E50-Y77 HydrophobicContact CG-CD1 4.09Å; E50-Y77 HydrophobicContact CG-CD2 4.44Å; E50-Y77 HydrophobicContact CG-CE1 3.56Å; E50-Y77 HydrophobicContact CG-CE2 3.95Å; E50-Y77 VanDerWaalsContact CG-CZ 3.47Å; E50-Y77 PolarHBondContact O-OH 2.83Å; H51-Y77 AromaticContact CD2-CD2 3.78Å; H51-Y77 AromaticContact CE1-CD2 3.55Å; H51-Y77 AromaticContact CE1-CE2 3.84Å; H51-Y77 AromaticContact CG-CE2 3.97Å; H51-Y77 AromaticContact ND1-CD2 3.92Å; H51-Y77 AromaticContact ND1-CE2 3.76Å; H51-Y77 AromaticContact NE2-CD2 3.47Å; H51-Y77 WeakPolarHBondContact NE2-CD2 3.12Å; V68-Y77 WeakPolarHBondContact CA-O 3.45Å; T69-Y77 PolarHBondContact N-O 2.96Å; T69-Y77 PolarHBondContact O-N 2.75Å; N75-Y77 HydrophobicContact CB-CE2 4.08Å; Y77-P88 HydrophobicContact CD1-CB 3.85Å; Y77-P88 HydrophobicContact CG-CB 4.19Å; Y77-T89 WeakPolarHBondContact CA-O 3.11Å; Y77-L90 HydrophobicContact CD1-CB 4.16Å; Y77-L90 HydrophobicContact CD1-CD1 4.18Å; Y77-L90 HydrophobicContact CE1-CB 3.88Å; Y77-L90 HydrophobicContact CE1-CD1 3.59Å; Y77-L90 HydrophobicContact CE1-CG 4.32Å
78	V	98.8	Very high	97.2	Very high	4 Å²	4	49 Å²	49	2%	0.024	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.1	165.2	175.8	0	0	0	0	107.6	R66 I67 V68 P88 T89 V91 W104 F111 W132	R66-V78 HydrophobicContact CB-CG1 4.31Å; I67-V78 CarbonylContact O-C 3.53Å; I67-V78 WeakPolarHBondContact O-CA 3.4Å; V68-V78 HydrophobicContact CG2-CG2 4.16Å; V78-P88 CarbonylContact O-C 3.59Å; V78-T89 PolarHBondContact N-O 2.9Å; V78-T89 PolarHBondContact O-N 3.47Å; V78-V91 HydrophobicContact CG2-CG2 3.87Å; V78-W104 HydrophobicContact CG1-CH2 4.19Å; V78-W104 HydrophobicContact CG1-CZ2 4.04Å; V78-W104 HydrophobicContact CG2-CH2 4.11Å; V78-W104 HydrophobicContact CG2-CZ2 4.13Å; V78-F111 HydrophobicContact CG2-CD1 4.5Å; V78-F111 HydrophobicContact CG2-CE1 3.63Å; V78-F111 HydrophobicContact CG2-CZ 4.03Å; V78-W132 HydrophobicContact CB-CZ2 4.19Å; V78-W132 HydrophobicContact CG1-CZ2 3.96Å; V78-W132 HydrophobicContact CG2-CD2 4.35Å; V78-W132 HydrophobicContact CG2-CH2 4.31Å; V78-W132 HydrophobicContact CG2-CZ2 3.77Å
79	W	98.7	Very high	97.2	Very high	5 Å²	5	52 Å²	52	2%	0.019	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.9	179.8	-53	81.7	0	0	0	109.3	L48 E50 R66 I67 T69 W86 K87 P88	L48-W79 HydrophobicContact CB-CD2 4.28Å; L48-W79 HydrophobicContact CB-CE3 4.06Å; L48-W79 HydrophobicContact CB-CH2 3.63Å; L48-W79 HydrophobicContact CB-CZ2 3.9Å; L48-W79 HydrophobicContact CB-CZ3 3.71Å; L48-W79 HydrophobicContact CD2-CB 4.22Å; L48-W79 HydrophobicContact CD2-CD2 3.54Å; L48-W79 HydrophobicContact CD2-CE3 3.79Å; L48-W79 HydrophobicContact CD2-CG 3.73Å; L48-W79 HydrophobicContact CD2-CZ2 4.48Å; L48-W79 HydrophobicContact CD2-CZ3 4.33Å; L48-W79 HydrophobicContact CG-CD2 3.94Å; L48-W79 HydrophobicContact CG-CE3 3.66Å; L48-W79 HydrophobicContact CG-CH2 4.19Å; L48-W79 HydrophobicContact CG-CZ2 4.47Å; L48-W79 HydrophobicContact CG-CZ3 3.79Å; E50-W79 HydrophobicContact CB-CH2 3.49Å; E50-W79 VanDerWaalsContact CB-CH2 3.49Å; E50-W79 HydrophobicContact CB-CZ2 3.88Å; E50-W79 HydrophobicContact CB-CZ3 4.49Å; R66-W79 WeakPolarHBondContact CA-O 3.46Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 2.88Å; I67-W79 VanDerWaalsContact N-O 3.11Å; I67-W79 PolarHBondContact O-N 2.95Å; T69-W79 PolarHBondContact OG1-NE1 3.28Å; W79-W86 HydrophobicContact CB-CE3 3.67Å; W79-W86 HydrophobicContact CB-CZ3 4.18Å; W79-W86 HydrophobicContact CE3-CB 4.31Å; W79-K87 WeakPolarHBondContact CA-O 3.37Å; W79-P88 HydrophobicContact CD2-CB 3.93Å; W79-P88 HydrophobicContact CE3-CB 3.63Å; W79-P88 HydrophobicContact CE3-CG 4.06Å; W79-P88 HydrophobicContact CH2-CB 3.78Å; W79-P88 HydrophobicContact CH2-CG 3.98Å; W79-P88 HydrophobicContact CZ2-CB 4.04Å; W79-P88 HydrophobicContact CZ3-CB 3.56Å; W79-P88 HydrophobicContact CZ3-CG 3.61Å
80	S	97.2	Very high	97.1	Very high	32 Å²	32	56 Å²	56	22%	0.224	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.9	173.5	58.9	0	0	0	0	109.5	K87	S80-K87 PolarHBondContact N-O 2.89Å; S80-K87 PolarHBondContact O-N 2.85Å
81	Q	95	Very high	97.1	Very high	85 Å²	85	56 Å²	56	40%	0.397	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128	176.7	-157.1	175	27.6	0	0	110.1	G84 V85	Q81-G84 PolarHBondContact NE2-O 3.16Å; Q81-G84 VanDerWaalsContact NE2-O 3.1Å; Q81-V85 WeakPolarHBondContact CA-O 3.47Å
82	K	93.3	Very high	97	Very high	144 Å²	144	61 Å²	61	63%	0.626	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	121.5	168.9	-66.6	-173.3	-179.5	-176.8	0	107.7	G84 V85	K82-G84 VanDerWaalsContact C-N 3.25Å; K82-G84 PolarHBondContact O-N 2.9Å; K82-V85 PolarHBondContact N-O 2.66Å; K82-V85 PolarHBondContact O-N 3.36Å
83	E	92.8	Very high	97	Very high	202 Å²	202	58.9 Å²	58.9	94%	0.944	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	40.3	179.9	-58.6	175.7	178.3	0	0	113.3	V85	E83-V85 PolarHBondContact O-N 3.24Å
84	G	91.6	Very high	97	Very high	39 Å²	39	65 Å²	65	40%	0.402	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-7.3	-179.1	0	0	0	0	0	115	H46 Q81 K82	H46-G84 PolarHBondContact CE1-O 2.87Å; H46-G84 VanDerWaalsContact CE1-O 3.27Å; Q81-G84 PolarHBondContact NE2-O 3.16Å; Q81-G84 VanDerWaalsContact NE2-O 3.1Å; K82-G84 VanDerWaalsContact C-N 3.25Å; K82-G84 PolarHBondContact O-N 2.9Å
85	V	95.8	Very high	97	Very high	74 Å²	74	59.6 Å²	59.6	45%	0.448	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.8	-178.3	-176.9	0	0	0	0	110.8	Q81 K82 E83 K87	Q81-V85 WeakPolarHBondContact CA-O 3.47Å; K82-V85 PolarHBondContact N-O 2.66Å; K82-V85 PolarHBondContact O-N 3.36Å; E83-V85 PolarHBondContact O-N 3.24Å; V85-K87 HydrophobicContact CG1-CD 4.3Å
86	W	98	Very high	97	Very high	19 Å²	19	62 Å²	62	7%	0.072	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.7	172.7	-70.4	93.9	0	0	0	110.7	I34 H46 L48 W60 D65 I67 W79	I34-W86 HydrophobicContact CD1-CD2 4.35Å; I34-W86 HydrophobicContact CD1-CZ2 4.11Å; H46-W86 AromaticContact CD2-CD1 3.94Å; H46-W86 AromaticContact CD2-NE1 3.62Å; H46-W86 AromaticContact CG-CD1 3.64Å; H46-W86 AromaticContact CG-NE1 3.81Å; H46-W86 AromaticContact ND1-CD1 3.88Å; H46-W86 AromaticContact NE2-NE1 3.99Å; L48-W86 HydrophobicContact CD1-CB 3.99Å; L48-W86 HydrophobicContact CD1-CG 3.95Å; L48-W86 HydrophobicContact CD2-CB 4.49Å; L48-W86 HydrophobicContact CG-CB 4.05Å; L48-W86 HydrophobicContact CG-CG 4.38Å; W60-W86 HydrophobicContact CH2-CZ2 4.21Å; W60-W86 AromaticContact CZ2-CH2 3.77Å; W60-W86 HydrophobicContact CZ2-CH2 3.77Å; W60-W86 AromaticContact CZ2-CZ2 3.6Å; W60-W86 HydrophobicContact CZ2-CZ2 3.6Å; D65-W86 VanDerWaalsContact O-CH2 3.31Å; D65-W86 WeakPolarHBondContact O-CH2 2.89Å; D65-W86 WeakPolarHBondContact O-CZ3 3.31Å; I67-W86 HydrophobicContact CB-CZ3 4.29Å; I67-W86 HydrophobicContact CD1-CD2 4.45Å; I67-W86 HydrophobicContact CD1-CE3 4.25Å; I67-W86 HydrophobicContact CD1-CH2 3.58Å; I67-W86 HydrophobicContact CD1-CZ2 3.83Å; I67-W86 HydrophobicContact CD1-CZ3 3.81Å; I67-W86 HydrophobicContact CG1-CH2 3.77Å; I67-W86 HydrophobicContact CG1-CZ2 4.5Å; I67-W86 HydrophobicContact CG1-CZ3 3.84Å; W79-W86 HydrophobicContact CB-CE3 3.67Å; W79-W86 HydrophobicContact CB-CZ3 4.18Å; W79-W86 HydrophobicContact CE3-CB 4.31Å
87	K	97.9	Very high	97	Very high	111 Å²	111	69.1 Å²	69.1	48%	0.483	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.3	178.2	-64.2	-62.4	-174.7	-179.1	0	110.2	W79 S80 V85	W79-K87 WeakPolarHBondContact CA-O 3.37Å; S80-K87 PolarHBondContact N-O 2.89Å; S80-K87 PolarHBondContact O-N 2.85Å; V85-K87 HydrophobicContact CG1-CD 4.3Å
88	P	98.1	Very high	97	Very high	42 Å²	42	69.9 Å²	69.9	27%	0.273	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	146.2	177	28.7	-29	0	0	0	111.1	E50 Y77 V78 W79	E50-P88 HydrophobicContact CB-CB 4.33Å; E50-P88 HydrophobicContact CB-CG 4.15Å; E50-P88 HydrophobicContact CG-CB 4.12Å; E50-P88 HydrophobicContact CG-CG 3.82Å; E50-P88 WeakPolarHBondContact OE2-CG 3.32Å; Y77-P88 HydrophobicContact CD1-CB 3.85Å; Y77-P88 HydrophobicContact CG-CB 4.19Å; V78-P88 CarbonylContact O-C 3.59Å; W79-P88 HydrophobicContact CD2-CB 3.93Å; W79-P88 HydrophobicContact CE3-CB 3.63Å; W79-P88 HydrophobicContact CE3-CG 4.06Å; W79-P88 HydrophobicContact CH2-CB 3.78Å; W79-P88 HydrophobicContact CH2-CG 3.98Å; W79-P88 HydrophobicContact CZ2-CB 4.04Å; W79-P88 HydrophobicContact CZ3-CB 3.56Å; W79-P88 HydrophobicContact CZ3-CG 3.61Å
89	T	97.9	Very high	97	Very high	63 Å²	63	69.7 Å²	69.7	39%	0.387	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121	164.7	-56.9	0	0	0	0	107.7	Y77 V78	Y77-T89 WeakPolarHBondContact CA-O 3.11Å; V78-T89 PolarHBondContact N-O 2.9Å; V78-T89 PolarHBondContact O-N 3.47Å
90	L	97.9	Very high	97	Very high	86 Å²	86	71 Å²	71	45%	0.45	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	134.5	-179.6	177.6	64.3	0	0	0	110.8	N75 Y77	N75-L90 HydrophobicContact CB-CD1 4.02Å; Y77-L90 HydrophobicContact CD1-CB 4.16Å; Y77-L90 HydrophobicContact CD1-CD1 4.18Å; Y77-L90 HydrophobicContact CE1-CB 3.88Å; Y77-L90 HydrophobicContact CE1-CD1 3.59Å; Y77-L90 HydrophobicContact CE1-CG 4.32Å
91	V	98.4	Very high	97.1	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.2	171.8	-177.4	0	0	0	0	110.1	A76 V78 L93 F111 C123 W132	A76-V91 HydrophobicContact CB-CB 4.29Å; A76-V91 PolarHBondContact O-N 2.93Å; V78-V91 HydrophobicContact CG2-CG2 3.87Å; V91-L93 HydrophobicContact CG1-CD2 4.27Å; V91-L93 PolarHBondContact O-N 3.46Å; V91-L93 VanDerWaalsContact O-N 3.1Å; V91-F111 HydrophobicContact CB-CZ 4.19Å; V91-F111 HydrophobicContact CG1-CZ 3.89Å; V91-F111 HydrophobicContact CG2-CE1 4.48Å; V91-F111 HydrophobicContact CG2-CZ 3.96Å; V91-C123 HydrophobicContact CG1-CB 4.12Å; V91-W132 HydrophobicContact CB-CB 4.16Å; V91-W132 HydrophobicContact CB-CG 4.46Å; V91-W132 HydrophobicContact CG1-CB 3.71Å; V91-W132 HydrophobicContact CG1-CG 4.33Å; V91-W132 HydrophobicContact CG2-CB 3.71Å; V91-W132 HydrophobicContact CG2-CD2 4.01Å; V91-W132 HydrophobicContact CG2-CG 3.5Å
92	I	96.9	Very high	97.2	Very high	103 Å²	103	67.6 Å²	67.6	53%	0.528	34%	0.338	S	S	.	.			trans	-80	98.1	-179.6	-54.8	179	0	0	0	109.5	R94 S134	I92-R94 VanDerWaalsContact C-N 3.27Å; I92-R94 HydrophobicContact CG2-CG 3.82Å; I92-R94 PolarHBondContact O-N 2.8Å; I92-S134 PolarHBondContact O-OG 3.34Å
93	L	98.1	Very high	97.5	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	32%	0.316	C	S	.	.			trans	-71	-20.3	179.5	-61	-178.7	0	0	0	113.6	A76 V91 I95 A99 V113 S121 H136	A76-L93 HydrophobicContact CB-CD1 3.89Å; A76-L93 HydrophobicContact CB-CD2 3.88Å; A76-L93 HydrophobicContact CB-CG 4.01Å; V91-L93 HydrophobicContact CG1-CD2 4.27Å; V91-L93 PolarHBondContact O-N 3.46Å; V91-L93 VanDerWaalsContact O-N 3.1Å; L93-I95 VanDerWaalsContact C-N 3.29Å; L93-I95 HydrophobicContact CB-CD1 4.01Å; L93-I95 HydrophobicContact CB-CG1 3.92Å; L93-I95 HydrophobicContact CB-CG2 4.2Å; L93-I95 HydrophobicContact CD1-CD1 3.63Å; L93-I95 HydrophobicContact CD1-CG1 4.39Å; L93-I95 PolarHBondContact O-N 2.88Å; L93-A99 HydrophobicContact CD1-CB 4.17Å; L93-V113 HydrophobicContact CD1-CB 4.41Å; L93-V113 HydrophobicContact CD1-CG1 3.83Å; L93-V113 HydrophobicContact CD1-CG2 4.47Å; L93-V113 HydrophobicContact CD2-CB 4.18Å; L93-V113 HydrophobicContact CD2-CG1 4.49Å; L93-V113 HydrophobicContact CD2-CG2 3.83Å; L93-S121 PolarHBondContact O-OG 3.01Å; L93-H136 PolarHBondContact O-NE2 3.14Å
94	R	98	Very high	97.8	Very high	152 Å²	152	53.7 Å²	53.7	57%	0.574	27%	0.274	S	S	*	.			trans	55.9	41.3	-175.2	-54.2	-177.6	-65	138.8	-3.4	112.7	I92 S134 H136	I92-R94 VanDerWaalsContact C-N 3.27Å; I92-R94 HydrophobicContact CG2-CG 3.82Å; I92-R94 PolarHBondContact O-N 2.8Å; R94-S134 PolarHBondContact NE-OG 2.83Å; R94-S134 PolarHBondContact NH2-O 3Å; R94-H136 PolarHBondContact O-CE1 3.08Å
95	I	98.1	Very high	98.1	Very high	20 Å²	20	52 Å²	52	10%	0.103	26%	0.255	C	S	.	.			trans	-110.3	152.5	176.5	63.4	-177.6	0	0	0	111.3	R74 L93 R97 A99 A117 L119	R74-I95 HydrophobicContact CB-CD1 4.33Å; R74-I95 HydrophobicContact CB-CG1 4.02Å; L93-I95 VanDerWaalsContact C-N 3.29Å; L93-I95 HydrophobicContact CB-CD1 4.01Å; L93-I95 HydrophobicContact CB-CG1 3.92Å; L93-I95 HydrophobicContact CB-CG2 4.2Å; L93-I95 HydrophobicContact CD1-CD1 3.63Å; L93-I95 HydrophobicContact CD1-CG1 4.39Å; L93-I95 PolarHBondContact O-N 2.88Å; I95-R97 VanDerWaalsContact CD1-O 3.31Å; I95-R97 WeakPolarHBondContact CD1-O 3.29Å; I95-R97 WeakPolarHBondContact CG1-O 3.46Å; I95-A99 HydrophobicContact CD1-CB 4.04Å; I95-A117 HydrophobicContact CB-CB 4.2Å; I95-A117 HydrophobicContact CG2-CB 4.4Å; I95-L119 HydrophobicContact CG2-CD1 3.72Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.36Å
96	N	97.8	Very high	98.3	Very high	101 Å²	101	50.8 Å²	50.8	54%	0.54	25%	0.249	S	C	.	.	S	Bend	trans	-113.3	12.5	-179.2	68.8	-10.4	0	0	0	113.6
97	R	98.4	Very high	98.3	Very high	149 Å²	149	54.8 Å²	54.8	56%	0.562	27%	0.271	S	S	*	.	S	Bend	trans	-142.9	164.4	176.7	-67.1	-65.6	-176.6	-85.6	3.2	108.9	R74 I95 S115 A117	R74-R97 WeakPolarHBondContact CG-O 3.38Å; I95-R97 VanDerWaalsContact CD1-O 3.31Å; I95-R97 WeakPolarHBondContact CD1-O 3.29Å; I95-R97 WeakPolarHBondContact CG1-O 3.46Å; R97-S115 PolarHBondContact O-OG 3.14Å; R97-A117 HydrophobicContact CB-CB 4.12Å; R97-A117 HydrophobicContact CG-CB 4.45Å
98	A	98.4	Very high	98.3	Very high	35 Å²	35	49.9 Å²	49.9	29%	0.289	25%	0.25	S	S	.	.			trans	-47.7	140.8	-179.6	0	0	0	0	0	112.8	A72 S115 G116	A72-A98 HydrophobicContact CB-CB 4.31Å; A98-S115 WeakPolarHBondContact O-CA 3.32Å; A98-S115 PolarHBondContact O-OG 2.95Å; A98-G116 PolarHBondContact O-N 3.27Å
99	A	98.8	Very high	98.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.3	159.9	0	0	0	0	0	108.4	T56 C70 G71 L93 I95 V113 G114	T56-A99 PolarHBondContact OG1-O 3.12Å; C70-A99 HydrophobicContact CB-CB 3.64Å; G71-A99 WeakPolarHBondContact O-CB 3.46Å; G71-A99 PolarHBondContact O-N 3.06Å; G71-A99 VanDerWaalsContact O-N 3.1Å; L93-A99 HydrophobicContact CD1-CB 4.17Å; I95-A99 HydrophobicContact CD1-CB 4.04Å; A99-V113 HydrophobicContact CB-CG1 3.68Å; A99-G114 WeakPolarHBondContact CA-O 3.17Å
100	T	98.6	Very high	98.3	Very high	32 Å²	32	46.8 Å²	46.8	20%	0.196	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	-21.9	-168.9	48	0	0	0	0	113.6	G114 S115 T144 I145	T100-G114 PolarHBondContact N-O 2.92Å; T100-G114 PolarHBondContact OG1-O 2.94Å; T100-G114 VanDerWaalsContact OG1-O 3.13Å; T100-S115 PolarHBondContact OG1-N 3.17Å; T100-T144 HydrophobicContact CG2-CG2 3.76Å; T100-I145 WeakPolarHBondContact CB-O 3.32Å; T100-I145 PolarHBondContact OG1-O 3Å
101	F	98.7	Very high	98.3	Very high	45 Å²	45	42.7 Å²	42.7	20%	0.197	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	148.6	-179.1	-157.1	-99.1	0	0	0	109.9	C70 K103 V113 G114 L146 L148	C70-F101 VanDerWaalsContact SG-C 3.58Å; F101-K103 HydrophobicContact CD1-CG 4.15Å; F101-K103 HydrophobicContact CE1-CD 4.2Å; F101-K103 HydrophobicContact CE1-CG 3.54Å; F101-K103 HydrophobicContact CZ-CG 4.48Å; F101-V113 CarbonylContact O-C 3.57Å; F101-V113 VanDerWaalsContact O-CA 3.31Å; F101-V113 WeakPolarHBondContact O-CA 3.46Å; F101-G114 PolarHBondContact O-N 3.26Å; F101-L146 WeakPolarHBondContact CD2-O 3.41Å; F101-L148 HydrophobicContact CD1-CB 3.92Å; F101-L148 HydrophobicContact CD1-CG 4.33Å; F101-L148 HydrophobicContact CE1-CB 4.28Å; F101-L148 WeakPolarHBondContact CE1-O 3.3Å
102	V	98.9	Very high	98.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.4	174.5	63.4	0	0	0	0	111.5	V68 C70 F111 A112 V113	V68-V102 HydrophobicContact CB-CG2 4.3Å; V68-V102 HydrophobicContact CG1-CB 4.42Å; V68-V102 HydrophobicContact CG1-CG1 4.02Å; V68-V102 HydrophobicContact CG1-CG2 3.5Å; V68-V102 HydrophobicContact CG2-CG2 3.79Å; C70-V102 HydrophobicContact CB-CB 4.22Å; C70-V102 HydrophobicContact CB-CG1 4.31Å; V102-F111 HydrophobicContact CG2-CD2 3.81Å; V102-F111 HydrophobicContact CG2-CE2 4.43Å; V102-A112 VanDerWaalsContact CA-O 3.3Å; V102-A112 WeakPolarHBondContact CA-O 3.32Å; V102-V113 HydrophobicContact CB-CG2 4.2Å; V102-V113 HydrophobicContact CG2-CG2 3.75Å
103	K	98.8	Very high	98.4	Very high	41 Å²	41	37.8 Å²	37.8	18%	0.178	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.2	171.2	-75	-61.6	-177.7	-173	0	113.2	D59 F101 F111 A112 W150	D59-K103 HydrophobicContact CB-CD 4.16Å; D59-K103 VanDerWaalsContact CG-CD 3.44Å; D59-K103 WeakPolarHBondContact OD1-CD 3.34Å; D59-K103 IonicContact OD1-NZ 3.47Å; D59-K103 PolarHBondContact OD1-NZ 2.77Å; D59-K103 WeakPolarHBondContact OD2-CA 3.3Å; D59-K103 WeakPolarHBondContact OD2-CD 3.46Å; F101-K103 HydrophobicContact CD1-CG 4.15Å; F101-K103 HydrophobicContact CE1-CD 4.2Å; F101-K103 HydrophobicContact CE1-CG 3.54Å; F101-K103 HydrophobicContact CZ-CG 4.48Å; K103-F111 CarbonylContact O-C 3.5Å; K103-F111 VanDerWaalsContact O-CA 3.25Å; K103-F111 WeakPolarHBondContact O-CA 3.5Å; K103-F111 WeakPolarHBondContact O-CB 3.5Å; K103-A112 PolarHBondContact N-O 3.46Å; K103-A112 PolarHBondContact O-N 3.13Å; K103-W150 PolarHBondContact O-NE1 2.79Å
104	W	98.9	Very high	98.5	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	143	163.7	-76.9	109.7	0	0	0	110.4	D59 A61 R66 V68 V78 F111 W132 W150	D59-W104 PolarHBondContact O-NE1 2.92Å; D59-W104 WeakPolarHBondContact OD2-CB 3.15Å; D59-W104 PolarHBondContact OD2-N 3.48Å; A61-W104 HydrophobicContact CB-CD2 4.04Å; A61-W104 HydrophobicContact CB-CG 3.93Å; R66-W104 HydrophobicContact CB-CZ2 4.07Å; R66-W104 PolarHBondContact O-NE1 3.35Å; V68-W104 HydrophobicContact CB-CZ2 3.87Å; V68-W104 HydrophobicContact CG1-CD2 4.36Å; V68-W104 HydrophobicContact CG1-CG 4.21Å; V68-W104 HydrophobicContact CG1-CZ2 4.4Å; V68-W104 VanDerWaalsContact CG1-NE1 3.25Å; V78-W104 HydrophobicContact CG1-CH2 4.19Å; V78-W104 HydrophobicContact CG1-CZ2 4.04Å; V78-W104 HydrophobicContact CG2-CH2 4.11Å; V78-W104 HydrophobicContact CG2-CZ2 4.13Å; W104-F111 HydrophobicContact CD2-CB 4.08Å; W104-F111 HydrophobicContact CE3-CB 3.81Å; W104-F111 HydrophobicContact CE3-CD1 4.06Å; W104-F111 HydrophobicContact CE3-CG 4.41Å; W104-F111 AromaticContact CH2-CD1 3.71Å; W104-F111 HydrophobicContact CH2-CD1 3.71Å; W104-F111 HydrophobicContact CH2-CE1 4.2Å; W104-F111 HydrophobicContact CZ2-CD1 4.3Å; W104-F111 HydrophobicContact CZ3-CB 4.23Å; W104-F111 AromaticContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CE1 4.45Å; W104-F111 HydrophobicContact CZ3-CG 4.37Å; W104-W132 AromaticContact CH2-CH2 3.53Å; W104-W132 HydrophobicContact CH2-CH2 3.53Å; W104-W132 HydrophobicContact CH2-CZ2 4.07Å; W104-W132 HydrophobicContact CH2-CZ3 4.33Å; W104-W132 AromaticContact CZ3-CH2 3.79Å; W104-W132 HydrophobicContact CZ3-CH2 3.79Å; W104-W132 HydrophobicContact CZ3-CZ3 4.34Å; W104-W150 PolarHBondContact O-NE1 3.14Å
105	S	98.7	Very high	98.5	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	16%	0.155	C	C	.	.			trans	-73.6	155.3	168.4	66.3	0	0	0	0	110.8	L107 E108 N109 K110 N154	S105-L107 PolarHBondContact O-N 3.33Å; S105-L107 VanDerWaalsContact O-N 3.14Å; S105-E108 WeakPolarHBondContact O-CA 3.3Å; S105-E108 PolarHBondContact O-N 2.79Å; S105-N109 PolarHBondContact OG-OD1 2.97Å; S105-K110 VanDerWaalsContact CB-O 3.23Å; S105-K110 WeakPolarHBondContact CB-O 3.34Å; S105-K110 PolarHBondContact N-O 3.22Å; S105-K110 WeakPolarHBondContact OG-CG 3.33Å; S105-K110 PolarHBondContact OG-N 3.47Å; S105-K110 PolarHBondContact OG-O 2.8Å; S105-N154 WeakPolarHBondContact CB-OD1 2.93Å; S105-N154 PolarHBondContact OG-OD1 2.87Å
106	P	98.1	Very high	98.5	Very high	49 Å²	49	30.4 Å²	30.4	32%	0.318	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.4	-177.9	-28.7	34.6	0	0	0	116.2	K63 W150 N154	K63-P106 PolarHBondContact NZ-O 2.88Å; K63-P106 VanDerWaalsContact NZ-O 3.1Å; P106-W150 HydrophobicContact CG-CB 4.11Å; P106-N154 VanDerWaalsContact CD-OD1 3.32Å; P106-N154 WeakPolarHBondContact CD-OD1 2.99Å
107	L	98	Very high	98.6	Very high	103 Å²	103	26.6 Å²	26.6	54%	0.539	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.7	175.7	-60.6	-177.4	0	0	0	113	S105 N109 N154	S105-L107 PolarHBondContact O-N 3.33Å; S105-L107 VanDerWaalsContact O-N 3.14Å; L107-N109 PolarHBondContact O-N 3.42Å; L107-N109 VanDerWaalsContact O-N 3.08Å; L107-N154 WeakPolarHBondContact CB-OD1 3.29Å; L107-N154 HydrophobicContact CD1-CB 3.83Å; L107-N154 HydrophobicContact CG-CB 3.85Å; L107-N154 PolarHBondContact N-OD1 3.2Å
108	E	98.3	Very high	98.6	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.042	14%	0.142	C	C	.	.	S	Bend	trans	60.3	16.5	177.2	-54.4	172.6	-154.4	0	0	114.3	A61 P62 K63 S64 R66 S105	A61-E108 HydrophobicContact CB-CB 4.36Å; A61-E108 HydrophobicContact CB-CG 3.9Å; A61-E108 VanDerWaalsContact CB-OE2 3.31Å; A61-E108 WeakPolarHBondContact CB-OE2 3.15Å; P62-E108 WeakPolarHBondContact CD-OE1 3.48Å; P62-E108 WeakPolarHBondContact CG-OE1 3.15Å; K63-E108 WeakPolarHBondContact CB-OE1 3.37Å; K63-E108 WeakPolarHBondContact CB-OE2 3.12Å; K63-E108 VanDerWaalsContact CG-OE1 3.25Å; K63-E108 WeakPolarHBondContact CG-OE1 3.36Å; K63-E108 PolarHBondContact N-OE1 2.83Å; K63-E108 PolarHBondContact N-OE2 3.02Å; S64-E108 VanDerWaalsContact CB-OE2 3.28Å; S64-E108 WeakPolarHBondContact CB-OE2 3.29Å; S64-E108 PolarHBondContact N-OE2 3.03Å; S64-E108 PolarHBondContact OG-OE2 3.4Å; R66-E108 PolarHBondContact NH2-O 2.76Å; S105-E108 WeakPolarHBondContact O-CA 3.3Å; S105-E108 PolarHBondContact O-N 2.79Å
109	N	97.6	Very high	98.6	Very high	40 Å²	40	25.6 Å²	25.6	21%	0.214	13%	0.131	C	C	.	.	S	Bend	trans	-86.7	-14.7	175.5	63.6	-23.1	0	0	0	112.7	S105 L107 N154 V176	S105-N109 PolarHBondContact OG-OD1 2.97Å; L107-N109 PolarHBondContact O-N 3.42Å; L107-N109 VanDerWaalsContact O-N 3.08Å; N109-N154 PolarHBondContact OD1-ND2 3.04Å; N109-V176 PolarHBondContact ND2-O 3.4Å
110	K	98.6	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	166.3	175.8	62.3	-170.8	179.1	-177.1	0	111.6	S105 V122 C123 W150 N154 A171 I173 E177	S105-K110 VanDerWaalsContact CB-O 3.23Å; S105-K110 WeakPolarHBondContact CB-O 3.34Å; S105-K110 PolarHBondContact N-O 3.22Å; S105-K110 WeakPolarHBondContact OG-CG 3.33Å; S105-K110 PolarHBondContact OG-N 3.47Å; S105-K110 PolarHBondContact OG-O 2.8Å; K110-V122 HydrophobicContact CD-CG1 4.19Å; K110-C123 CarbonylContact C-O 3.51Å; K110-C123 WeakPolarHBondContact CA-O 3.37Å; K110-C123 WeakPolarHBondContact CB-O 3.1Å; K110-W150 HydrophobicContact CD-CH2 4.02Å; K110-W150 HydrophobicContact CG-CH2 4.14Å; K110-W150 HydrophobicContact CG-CZ2 4.41Å; K110-N154 WeakPolarHBondContact CE-ND2 3.5Å; K110-N154 WeakPolarHBondContact CE-O 3.45Å; K110-N154 PolarHBondContact NZ-O 3.45Å; K110-A171 PolarHBondContact NZ-O 2.69Å; K110-I173 HydrophobicContact CD-CG1 4.04Å; K110-E177 WeakPolarHBondContact CE-OE2 3.41Å; K110-E177 IonicContact NZ-OE1 2.87Å; K110-E177 PolarHBondContact NZ-OE1 3.37Å; K110-E177 IonicContact NZ-OE2 3.96Å; K110-E177 PolarHBondContact NZ-OE2 2.82Å
111	F	98.9	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	159.5	171.6	62.7	-92.8	0	0	0	110.6	V68 A76 V78 V91 V102 K103 W104 V113 V122 C123 W132	V68-F111 HydrophobicContact CG2-CD1 4.42Å; V68-F111 HydrophobicContact CG2-CD2 3.96Å; V68-F111 HydrophobicContact CG2-CE1 4.27Å; V68-F111 HydrophobicContact CG2-CE2 3.8Å; V68-F111 HydrophobicContact CG2-CG 4.25Å; V68-F111 HydrophobicContact CG2-CZ 3.95Å; A76-F111 HydrophobicContact CB-CE2 4.5Å; V78-F111 HydrophobicContact CG2-CD1 4.5Å; V78-F111 HydrophobicContact CG2-CE1 3.63Å; V78-F111 HydrophobicContact CG2-CZ 4.03Å; V91-F111 HydrophobicContact CB-CZ 4.19Å; V91-F111 HydrophobicContact CG1-CZ 3.89Å; V91-F111 HydrophobicContact CG2-CE1 4.48Å; V91-F111 HydrophobicContact CG2-CZ 3.96Å; V102-F111 HydrophobicContact CG2-CD2 3.81Å; V102-F111 HydrophobicContact CG2-CE2 4.43Å; K103-F111 CarbonylContact O-C 3.5Å; K103-F111 VanDerWaalsContact O-CA 3.25Å; K103-F111 WeakPolarHBondContact O-CA 3.5Å; K103-F111 WeakPolarHBondContact O-CB 3.5Å; W104-F111 HydrophobicContact CD2-CB 4.08Å; W104-F111 HydrophobicContact CE3-CB 3.81Å; W104-F111 HydrophobicContact CE3-CD1 4.06Å; W104-F111 HydrophobicContact CE3-CG 4.41Å; W104-F111 AromaticContact CH2-CD1 3.71Å; W104-F111 HydrophobicContact CH2-CD1 3.71Å; W104-F111 HydrophobicContact CH2-CE1 4.2Å; W104-F111 HydrophobicContact CZ2-CD1 4.3Å; W104-F111 HydrophobicContact CZ3-CB 4.23Å; W104-F111 AromaticContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CE1 4.45Å; W104-F111 HydrophobicContact CZ3-CG 4.37Å; F111-V113 HydrophobicContact CD2-CG2 3.77Å; F111-V113 HydrophobicContact CE2-CG2 3.66Å; F111-V122 CarbonylContact O-C 3.55Å; F111-V122 WeakPolarHBondContact O-CA 3.35Å; F111-C123 HydrophobicContact CD1-CB 4.14Å; F111-C123 HydrophobicContact CD2-CB 4.04Å; F111-C123 HydrophobicContact CE1-CB 3.72Å; F111-C123 HydrophobicContact CE2-CB 3.59Å; F111-C123 HydrophobicContact CG-CB 4.31Å; F111-C123 HydrophobicContact CZ-CB 3.44Å; F111-C123 VanDerWaalsContact CZ-CB 3.44Å; F111-C123 PolarHBondContact N-O 2.78Å; F111-C123 PolarHBondContact O-N 3Å; F111-W132 HydrophobicContact CD1-CE3 4.27Å; F111-W132 HydrophobicContact CD1-CH2 4.2Å; F111-W132 AromaticContact CD1-CZ3 3.72Å; F111-W132 HydrophobicContact CD1-CZ3 3.72Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.53Å; F111-W132 HydrophobicContact CE1-CE3 3.53Å; F111-W132 AromaticContact CE1-CH2 3.95Å; F111-W132 HydrophobicContact CE1-CH2 3.95Å; F111-W132 AromaticContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CZ-CE3 4.36Å
112	A	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.3	178.6	0	0	0	0	0	110.8	V102 K103 I120 S121 L148 W150 L157	V102-A112 VanDerWaalsContact CA-O 3.3Å; V102-A112 WeakPolarHBondContact CA-O 3.32Å; K103-A112 PolarHBondContact N-O 3.46Å; K103-A112 PolarHBondContact O-N 3.13Å; A112-I120 HydrophobicContact CB-CG2 3.97Å; A112-S121 CarbonylContact C-O 3.58Å; A112-S121 WeakPolarHBondContact CA-O 3.47Å; A112-L148 HydrophobicContact CB-CD1 3.84Å; A112-W150 HydrophobicContact CB-CH2 4.49Å; A112-W150 HydrophobicContact CB-CZ2 3.58Å; A112-L157 HydrophobicContact CB-CD1 4.18Å; A112-L157 HydrophobicContact CB-CD2 3.58Å
113	V	98.9	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.8	177.8	-176.6	0	0	0	0	110.2	C70 L93 A99 F101 V102 F111 I120 S121	C70-V113 HydrophobicContact CB-CG1 4.1Å; L93-V113 HydrophobicContact CD1-CB 4.41Å; L93-V113 HydrophobicContact CD1-CG1 3.83Å; L93-V113 HydrophobicContact CD1-CG2 4.47Å; L93-V113 HydrophobicContact CD2-CB 4.18Å; L93-V113 HydrophobicContact CD2-CG1 4.49Å; L93-V113 HydrophobicContact CD2-CG2 3.83Å; A99-V113 HydrophobicContact CB-CG1 3.68Å; F101-V113 CarbonylContact O-C 3.57Å; F101-V113 VanDerWaalsContact O-CA 3.31Å; F101-V113 WeakPolarHBondContact O-CA 3.46Å; V102-V113 HydrophobicContact CB-CG2 4.2Å; V102-V113 HydrophobicContact CG2-CG2 3.75Å; F111-V113 HydrophobicContact CD2-CG2 3.77Å; F111-V113 HydrophobicContact CE2-CG2 3.66Å; V113-I120 CarbonylContact O-C 3.53Å; V113-I120 WeakPolarHBondContact O-CA 3.41Å; V113-S121 PolarHBondContact N-O 2.85Å; V113-S121 PolarHBondContact O-N 3.1Å
114	G	98.8	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	149.7	169.9	0	0	0	0	0	111	A99 T100 F101	A99-G114 WeakPolarHBondContact CA-O 3.17Å; T100-G114 PolarHBondContact N-O 2.92Å; T100-G114 PolarHBondContact OG1-O 2.94Å; T100-G114 VanDerWaalsContact OG1-O 3.13Å; F101-G114 PolarHBondContact O-N 3.26Å
115	S	98.8	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.2	-179.2	178.1	0	0	0	0	113.3	R97 A98 T100 A117 R118 L119 I145	R97-S115 PolarHBondContact O-OG 3.14Å; A98-S115 WeakPolarHBondContact O-CA 3.32Å; A98-S115 PolarHBondContact O-OG 2.95Å; T100-S115 PolarHBondContact OG1-N 3.17Å; S115-A117 PolarHBondContact O-N 3.29Å; S115-A117 WeakPolarHBondContact OG-CB 3.11Å; S115-A117 PolarHBondContact OG-N 2.95Å; S115-R118 PolarHBondContact O-N 2.87Å; S115-L119 PolarHBondContact N-O 2.96Å; S115-I145 PolarHBondContact O-N 3.44Å
116	G	98.6	Very high	98.3	Very high	19 Å²	19	25 Å²	25	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.4	163.5	0	0	0	0	0	114.1	A98 R118	A98-G116 PolarHBondContact O-N 3.27Å; G116-R118 PolarHBondContact O-N 3.28Å
117	A	98.4	Very high	98	Very high	21 Å²	21	27.5 Å²	27.5	17%	0.174	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	7.7	172	0	0	0	0	0	112.9	I95 R97 S115 L119	I95-A117 HydrophobicContact CB-CB 4.2Å; I95-A117 HydrophobicContact CG2-CB 4.4Å; R97-A117 HydrophobicContact CB-CB 4.12Å; R97-A117 HydrophobicContact CG-CB 4.45Å; S115-A117 PolarHBondContact O-N 3.29Å; S115-A117 WeakPolarHBondContact OG-CB 3.11Å; S115-A117 PolarHBondContact OG-N 2.95Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 HydrophobicContact CB-CD2 4.27Å; A117-L119 HydrophobicContact CB-CG 4.18Å; A117-L119 PolarHBondContact O-N 3.37Å
118	R	98.5	Very high	97.7	Very high	152 Å²	152	31.1 Å²	31.1	57%	0.574	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	39.7	176.4	-47.1	173.5	179.3	170	-0.3	112.1	S115 G116 I141 R142 S143	S115-R118 PolarHBondContact O-N 2.87Å; G116-R118 PolarHBondContact O-N 3.28Å; R118-I141 HydrophobicContact CB-CG2 4.19Å; R118-I141 WeakPolarHBondContact O-CG2 3.41Å; R118-R142 VanDerWaalsContact CD-O 3.29Å; R118-R142 WeakPolarHBondContact CD-O 3.49Å; R118-R142 PolarHBondContact NE-O 2.98Å; R118-S143 WeakPolarHBondContact CA-O 3.47Å
119	L	98.6	Very high	97.4	Very high	11 Å²	11	35.7 Å²	35.7	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164	179.4	68.4	79.3	0	0	0	110.5	I95 S115 A117 S121 I137 K138	I95-L119 HydrophobicContact CG2-CD1 3.72Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.36Å; S115-L119 PolarHBondContact N-O 2.96Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 HydrophobicContact CB-CD2 4.27Å; A117-L119 HydrophobicContact CB-CG 4.18Å; A117-L119 PolarHBondContact O-N 3.37Å; L119-S121 WeakPolarHBondContact CD1-OG 3.26Å; L119-I137 VanDerWaalsContact CA-O 3.29Å; L119-I137 WeakPolarHBondContact CA-O 3.38Å; L119-I137 WeakPolarHBondContact CB-O 3.34Å; L119-K138 HydrophobicContact CB-CG 3.88Å; L119-K138 HydrophobicContact CD2-CG 4.27Å
120	I	98.9	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.2	170.3	-56.7	164.7	0	0	0	108.1	A112 V113 V122 H136 I137 I141 I145 L148 L157 A159 F169	A112-I120 HydrophobicContact CB-CG2 3.97Å; V113-I120 CarbonylContact O-C 3.53Å; V113-I120 WeakPolarHBondContact O-CA 3.41Å; I120-V122 HydrophobicContact CG2-CG2 4.43Å; I120-H136 WeakPolarHBondContact O-CA 3.36Å; I120-I137 HydrophobicContact CB-CB 4.29Å; I120-I137 PolarHBondContact N-O 2.62Å; I120-I137 PolarHBondContact O-N 2.71Å; I120-I141 HydrophobicContact CD1-CD1 4.11Å; I120-I141 HydrophobicContact CG1-CD1 4.06Å; I120-I145 HydrophobicContact CD1-CD1 4.46Å; I120-I145 HydrophobicContact CG1-CD1 4.26Å; I120-I145 HydrophobicContact CG1-CG1 3.86Å; I120-I145 HydrophobicContact CG1-CG2 4.46Å; I120-L148 HydrophobicContact CD1-CD2 3.76Å; I120-L148 HydrophobicContact CG1-CD2 4.14Å; I120-L148 HydrophobicContact CG2-CD1 4.25Å; I120-L148 HydrophobicContact CG2-CD2 4.34Å; I120-L157 HydrophobicContact CD1-CD2 4.38Å; I120-L157 HydrophobicContact CG2-CD2 3.9Å; I120-A159 HydrophobicContact CD1-CB 3.7Å; I120-F169 HydrophobicContact CD1-CD2 4.11Å; I120-F169 HydrophobicContact CD1-CE2 4.14Å
121	S	98.9	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112.9	171.9	-59.5	0	0	0	0	109.7	L93 A112 V113 L119 H136	L93-S121 PolarHBondContact O-OG 3.01Å; A112-S121 CarbonylContact C-O 3.58Å; A112-S121 WeakPolarHBondContact CA-O 3.47Å; V113-S121 PolarHBondContact N-O 2.85Å; V113-S121 PolarHBondContact O-N 3.1Å; L119-S121 WeakPolarHBondContact CD1-OG 3.26Å; S121-H136 PolarHBondContact OG-CD2 2.95Å; S121-H136 PolarHBondContact OG-NE2 3.17Å
122	V	98.8	Very high	96.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.1	172.9	-176.8	0	0	0	0	107.5	K110 F111 I120 S134 K135 I137 W150 A171 I173 F191	K110-V122 HydrophobicContact CD-CG1 4.19Å; F111-V122 CarbonylContact O-C 3.55Å; F111-V122 WeakPolarHBondContact O-CA 3.35Å; I120-V122 HydrophobicContact CG2-CG2 4.43Å; V122-S134 WeakPolarHBondContact O-CA 3.45Å; V122-K135 PolarHBondContact N-O 3Å; V122-K135 PolarHBondContact O-N 3.19Å; V122-I137 HydrophobicContact CG2-CD1 3.94Å; V122-I137 HydrophobicContact CG2-CG1 4.31Å; V122-W150 HydrophobicContact CG1-CH2 4.3Å; V122-A171 HydrophobicContact CG1-CB 4.24Å; V122-A171 HydrophobicContact CG2-CB 3.83Å; V122-I173 HydrophobicContact CG1-CD1 4.06Å; V122-I173 HydrophobicContact CG1-CG1 4.1Å; V122-F191 HydrophobicContact CB-CE2 3.98Å; V122-F191 HydrophobicContact CB-CZ 4.32Å; V122-F191 HydrophobicContact CG1-CE2 4.41Å; V122-F191 HydrophobicContact CG2-CE2 3.92Å; V122-F191 HydrophobicContact CG2-CZ 4.22Å
123	C	98.8	Very high	96.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	-172.7	-52.6	0	0	0	0	110.8	V91 K110 F111 W132 V133	V91-C123 HydrophobicContact CG1-CB 4.12Å; K110-C123 CarbonylContact C-O 3.51Å; K110-C123 WeakPolarHBondContact CA-O 3.37Å; K110-C123 WeakPolarHBondContact CB-O 3.1Å; F111-C123 HydrophobicContact CD1-CB 4.14Å; F111-C123 HydrophobicContact CD2-CB 4.04Å; F111-C123 HydrophobicContact CE1-CB 3.72Å; F111-C123 HydrophobicContact CE2-CB 3.59Å; F111-C123 HydrophobicContact CG-CB 4.31Å; F111-C123 HydrophobicContact CZ-CB 3.44Å; F111-C123 VanDerWaalsContact CZ-CB 3.44Å; F111-C123 PolarHBondContact N-O 2.78Å; F111-C123 PolarHBondContact O-N 3Å; C123-W132 HydrophobicContact CB-CE3 4.44Å; C123-V133 CarbonylContact C-O 3.58Å; C123-V133 WeakPolarHBondContact CA-O 3.36Å
124	Y	98.4	Very high	96.7	Very high	8 Å²	8	47.5 Å²	47.5	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.8	177.4	65.4	-86.2	0	0	0	110	W132 V133 K135 I173 E175 V176	Y124-W132 VanDerWaalsContact C-CE3 3.4Å; Y124-V133 HydrophobicContact CE1-CB 4.12Å; Y124-V133 HydrophobicContact CE1-CG1 4.3Å; Y124-V133 HydrophobicContact CE2-CB 4.26Å; Y124-V133 HydrophobicContact CE2-CG2 4.4Å; Y124-V133 PolarHBondContact N-O 2.8Å; Y124-V133 PolarHBondContact O-N 3.48Å; Y124-K135 HydrophobicContact CE1-CD 4.19Å; Y124-K135 HydrophobicContact CE1-CG 4.2Å; Y124-K135 WeakPolarHBondContact OH-CE 3.19Å; Y124-I173 HydrophobicContact CD1-CD1 4.23Å; Y124-I173 HydrophobicContact CD1-CG1 4.24Å; Y124-I173 HydrophobicContact CD1-CG2 3.63Å; Y124-I173 HydrophobicContact CD2-CG2 4.25Å; Y124-I173 HydrophobicContact CE1-CD1 4.25Å; Y124-I173 HydrophobicContact CE1-CG2 3.59Å; Y124-I173 HydrophobicContact CE2-CG2 4.22Å; Y124-I173 HydrophobicContact CG-CG2 3.96Å; Y124-E175 HydrophobicContact CE2-CB 4.27Å; Y124-V176 HydrophobicContact CD2-CG1 3.52Å; Y124-V176 HydrophobicContact CE2-CG1 4.28Å; Y124-V176 HydrophobicContact CG-CG1 4.08Å; Y124-V176 HydrophobicContact CG-CG2 4.47Å
125	F	96.9	Very high	96.6	Very high	64 Å²	64	50.1 Å²	50.1	28%	0.281	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.6	-178.4	-169	-104.4	0	0	0	110.5	D130 W132	F125-D130 VanDerWaalsContact CZ-OD1 3.31Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.11Å; F125-W132 HydrophobicContact CB-CD2 4.24Å; F125-W132 HydrophobicContact CB-CE3 4.16Å; F125-W132 HydrophobicContact CB-CH2 4.01Å; F125-W132 HydrophobicContact CB-CZ2 4.1Å; F125-W132 HydrophobicContact CB-CZ3 4.05Å; F125-W132 AromaticContact CD2-CD1 3.83Å; F125-W132 AromaticContact CD2-CD2 3.97Å; F125-W132 HydrophobicContact CD2-CD2 3.97Å; F125-W132 AromaticContact CD2-CE2 3.7Å; F125-W132 HydrophobicContact CD2-CG 4.04Å; F125-W132 HydrophobicContact CD2-CZ2 4.19Å; F125-W132 AromaticContact CD2-NE1 3.62Å; F125-W132 HydrophobicContact CG-CZ2 4.5Å
126	E	94.8	Very high	96.6	Very high	50 Å²	50	51.8 Å²	51.8	23%	0.234	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	103.4	176.9	-174.9	173.7	-100.2	0	0	109.1	E128 N129 D130 W131 V133	E126-E128 VanDerWaalsContact C-N 3.26Å; E126-E128 PolarHBondContact O-N 2.88Å; E126-N129 PolarHBondContact O-N 3.09Å; E126-N129 PolarHBondContact OE2-ND2 2.91Å; E126-D130 PolarHBondContact O-N 2.8Å; E126-D130 VanDerWaalsContact O-N 3.08Å; E126-W131 PolarHBondContact N-O 2.93Å; E126-W131 PolarHBondContact OE2-NE1 2.9Å; E126-V133 HydrophobicContact CB-CG2 3.78Å
127	S	91.4	Very high	96.6	Very high	101 Å²	101	51 Å²	51	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.3	-171.5	-52.9	0	0	0	0	113.8	N129	S127-N129 VanDerWaalsContact C-N 3.27Å; S127-N129 PolarHBondContact O-N 3.47Å
128	E	91.8	Very high	96.6	Very high	179 Å²	179	55.6 Å²	55.6	84%	0.836	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.3	179.2	-63.5	-177.7	176.1	0	0	112.5	E126	E126-E128 VanDerWaalsContact C-N 3.26Å; E126-E128 PolarHBondContact O-N 2.88Å
129	N	91.4	Very high	96.5	Very high	105 Å²	105	57.1 Å²	57.1	56%	0.561	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	4.7	-174.2	-72.1	-43	0	0	0	112.5	E126 S127 W131	E126-N129 PolarHBondContact O-N 3.09Å; E126-N129 PolarHBondContact OE2-ND2 2.91Å; S127-N129 VanDerWaalsContact C-N 3.27Å; S127-N129 PolarHBondContact O-N 3.47Å; N129-W131 VanDerWaalsContact C-N 3.28Å; N129-W131 HydrophobicContact CB-CG 4.31Å; N129-W131 VanDerWaalsContact CB-NE1 3.26Å; N129-W131 PolarHBondContact O-N 2.77Å
130	D	92.4	Very high	96.4	Very high	130 Å²	130	58.6 Å²	58.6	70%	0.695	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.4	179	-160.6	43.2	0	0	0	114.2	F125 E126	F125-D130 VanDerWaalsContact CZ-OD1 3.31Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.11Å; E126-D130 PolarHBondContact O-N 2.8Å; E126-D130 VanDerWaalsContact O-N 3.08Å
131	W	94.3	Very high	96.4	Very high	114 Å²	114	59.3 Å²	59.3	43%	0.432	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.7	-175.4	77.8	-58.6	0	0	0	114	E126 N129 V133	E126-W131 PolarHBondContact N-O 2.93Å; E126-W131 PolarHBondContact OE2-NE1 2.9Å; N129-W131 VanDerWaalsContact C-N 3.28Å; N129-W131 HydrophobicContact CB-CG 4.31Å; N129-W131 VanDerWaalsContact CB-NE1 3.26Å; N129-W131 PolarHBondContact O-N 2.77Å; W131-V133 HydrophobicContact CD2-CG2 4.01Å; W131-V133 HydrophobicContact CE3-CG2 4.3Å; W131-V133 HydrophobicContact CH2-CB 4.21Å; W131-V133 HydrophobicContact CH2-CG1 4Å; W131-V133 HydrophobicContact CH2-CG2 3.76Å; W131-V133 HydrophobicContact CZ2-CB 4.32Å; W131-V133 HydrophobicContact CZ2-CG1 4.28Å; W131-V133 HydrophobicContact CZ2-CG2 3.4Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.4Å; W131-V133 HydrophobicContact CZ3-CB 4.5Å; W131-V133 HydrophobicContact CZ3-CG2 4.18Å
132	W	97.3	Very high	96.3	Very high	18 Å²	18	68.3 Å²	68.3	7%	0.068	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.3	176.5	-73.2	92.5	0	0	0	112	V78 V91 W104 F111 C123 Y124 F125	V78-W132 HydrophobicContact CB-CZ2 4.19Å; V78-W132 HydrophobicContact CG1-CZ2 3.96Å; V78-W132 HydrophobicContact CG2-CD2 4.35Å; V78-W132 HydrophobicContact CG2-CH2 4.31Å; V78-W132 HydrophobicContact CG2-CZ2 3.77Å; V91-W132 HydrophobicContact CB-CB 4.16Å; V91-W132 HydrophobicContact CB-CG 4.46Å; V91-W132 HydrophobicContact CG1-CB 3.71Å; V91-W132 HydrophobicContact CG1-CG 4.33Å; V91-W132 HydrophobicContact CG2-CB 3.71Å; V91-W132 HydrophobicContact CG2-CD2 4.01Å; V91-W132 HydrophobicContact CG2-CG 3.5Å; W104-W132 AromaticContact CH2-CH2 3.53Å; W104-W132 HydrophobicContact CH2-CH2 3.53Å; W104-W132 HydrophobicContact CH2-CZ2 4.07Å; W104-W132 HydrophobicContact CH2-CZ3 4.33Å; W104-W132 AromaticContact CZ3-CH2 3.79Å; W104-W132 HydrophobicContact CZ3-CH2 3.79Å; W104-W132 HydrophobicContact CZ3-CZ3 4.34Å; F111-W132 HydrophobicContact CD1-CE3 4.27Å; F111-W132 HydrophobicContact CD1-CH2 4.2Å; F111-W132 AromaticContact CD1-CZ3 3.72Å; F111-W132 HydrophobicContact CD1-CZ3 3.72Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.53Å; F111-W132 HydrophobicContact CE1-CE3 3.53Å; F111-W132 AromaticContact CE1-CH2 3.95Å; F111-W132 HydrophobicContact CE1-CH2 3.95Å; F111-W132 AromaticContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CZ-CE3 4.36Å; C123-W132 HydrophobicContact CB-CE3 4.44Å; Y124-W132 VanDerWaalsContact C-CE3 3.4Å; F125-W132 HydrophobicContact CB-CD2 4.24Å; F125-W132 HydrophobicContact CB-CE3 4.16Å; F125-W132 HydrophobicContact CB-CH2 4.01Å; F125-W132 HydrophobicContact CB-CZ2 4.1Å; F125-W132 HydrophobicContact CB-CZ3 4.05Å; F125-W132 AromaticContact CD2-CD1 3.83Å; F125-W132 AromaticContact CD2-CD2 3.97Å; F125-W132 HydrophobicContact CD2-CD2 3.97Å; F125-W132 AromaticContact CD2-CE2 3.7Å; F125-W132 HydrophobicContact CD2-CG 4.04Å; F125-W132 HydrophobicContact CD2-CZ2 4.19Å; F125-W132 AromaticContact CD2-NE1 3.62Å; F125-W132 HydrophobicContact CG-CZ2 4.5Å
133	V	97.1	Very high	96.2	Very high	19 Å²	19	69.9 Å²	69.9	12%	0.115	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.8	176.7	-167.8	0	0	0	0	109.9	C123 Y124 E126 W131	C123-V133 CarbonylContact C-O 3.58Å; C123-V133 WeakPolarHBondContact CA-O 3.36Å; Y124-V133 HydrophobicContact CE1-CB 4.12Å; Y124-V133 HydrophobicContact CE1-CG1 4.3Å; Y124-V133 HydrophobicContact CE2-CB 4.26Å; Y124-V133 HydrophobicContact CE2-CG2 4.4Å; Y124-V133 PolarHBondContact N-O 2.8Å; Y124-V133 PolarHBondContact O-N 3.48Å; E126-V133 HydrophobicContact CB-CG2 3.78Å; W131-V133 HydrophobicContact CD2-CG2 4.01Å; W131-V133 HydrophobicContact CE3-CG2 4.3Å; W131-V133 HydrophobicContact CH2-CB 4.21Å; W131-V133 HydrophobicContact CH2-CG1 4Å; W131-V133 HydrophobicContact CH2-CG2 3.76Å; W131-V133 HydrophobicContact CZ2-CB 4.32Å; W131-V133 HydrophobicContact CZ2-CG1 4.28Å; W131-V133 HydrophobicContact CZ2-CG2 3.4Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.4Å; W131-V133 HydrophobicContact CZ3-CB 4.5Å; W131-V133 HydrophobicContact CZ3-CG2 4.18Å
134	S	97.1	Very high	96.2	Very high	6 Å²	6	71.8 Å²	71.8	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.7	172.8	58.9	0	0	0	0	111.6	I92 R94 V122	I92-S134 PolarHBondContact O-OG 3.34Å; R94-S134 PolarHBondContact NE-OG 2.83Å; R94-S134 PolarHBondContact NH2-O 3Å; V122-S134 WeakPolarHBondContact O-CA 3.45Å
135	K	98.4	Very high	96.3	Very high	56 Å²	56	71.4 Å²	71.4	24%	0.243	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.4	165.2	-69.4	-175.7	-175.8	169	0	109.5	V122 Y124 I173 E175 F191	V122-K135 PolarHBondContact N-O 3Å; V122-K135 PolarHBondContact O-N 3.19Å; Y124-K135 HydrophobicContact CE1-CD 4.19Å; Y124-K135 HydrophobicContact CE1-CG 4.2Å; Y124-K135 WeakPolarHBondContact OH-CE 3.19Å; K135-I173 HydrophobicContact CB-CD1 4.39Å; K135-I173 HydrophobicContact CD-CD1 3.83Å; K135-I173 HydrophobicContact CG-CD1 4.5Å; K135-E175 IonicContact NZ-OE1 3.01Å; K135-E175 PolarHBondContact NZ-OE1 3.03Å; K135-E175 IonicContact NZ-OE2 2.98Å; K135-E175 PolarHBondContact NZ-OE2 3.31Å; K135-F191 HydrophobicContact CB-CE1 3.81Å; K135-F191 HydrophobicContact CB-CE2 4.01Å; K135-F191 HydrophobicContact CB-CZ 3.45Å; K135-F191 VanDerWaalsContact CB-CZ 3.45Å
136	H	98.8	Very high	96.3	Very high	34 Å²	34	70.4 Å²	70.4	16%	0.157	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.7	-172.2	-64.2	162.9	0	0	0	113.2	L93 R94 I120 S121 K138 F191	L93-H136 PolarHBondContact O-NE2 3.14Å; R94-H136 PolarHBondContact O-CE1 3.08Å; I120-H136 WeakPolarHBondContact O-CA 3.36Å; S121-H136 PolarHBondContact OG-CD2 2.95Å; S121-H136 PolarHBondContact OG-NE2 3.17Å; H136-K138 HydrophobicContact CB-CG 4.06Å; H136-F191 WeakPolarHBondContact O-CE1 3.4Å
137	I	98.8	Very high	96.5	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.7	163.8	-54.8	176.8	0	0	0	107	L119 I120 V122 F169 A171 F191	L119-I137 VanDerWaalsContact CA-O 3.29Å; L119-I137 WeakPolarHBondContact CA-O 3.38Å; L119-I137 WeakPolarHBondContact CB-O 3.34Å; I120-I137 HydrophobicContact CB-CB 4.29Å; I120-I137 PolarHBondContact N-O 2.62Å; I120-I137 PolarHBondContact O-N 2.71Å; V122-I137 HydrophobicContact CG2-CD1 3.94Å; V122-I137 HydrophobicContact CG2-CG1 4.31Å; I137-F169 HydrophobicContact CD1-CB 4.03Å; I137-F169 HydrophobicContact CG2-CB 4.45Å; I137-F169 HydrophobicContact CG2-CD1 3.49Å; I137-F169 VanDerWaalsContact CG2-CD1 3.49Å; I137-F169 HydrophobicContact CG2-CD2 4.44Å; I137-F169 HydrophobicContact CG2-CE1 3.64Å; I137-F169 HydrophobicContact CG2-CG 3.9Å; I137-F169 HydrophobicContact CG2-CZ 4.21Å; I137-A171 HydrophobicContact CD1-CB 4.21Å; I137-F191 HydrophobicContact CD1-CE2 4.38Å; I137-F191 HydrophobicContact CD1-CZ 4.36Å; I137-F191 HydrophobicContact CG1-CE1 4.02Å; I137-F191 HydrophobicContact CG1-CE2 4.11Å; I137-F191 HydrophobicContact CG1-CZ 3.61Å
138	K	97.6	Very high	96.9	Very high	118 Å²	118	63.4 Å²	63.4	51%	0.513	30%	0.298	S	S	.	.			trans	-111.8	-56.6	-173.9	-66.9	-175.5	176.5	178.2	0	113.3	L119 H136 I141	L119-K138 HydrophobicContact CB-CG 3.88Å; L119-K138 HydrophobicContact CD2-CG 4.27Å; H136-K138 HydrophobicContact CB-CG 4.06Å; K138-I141 VanDerWaalsContact O-CB 3.31Å; K138-I141 WeakPolarHBondContact O-CB 3.36Å; K138-I141 PolarHBondContact O-N 2.81Å
139	K	96	Very high	97.2	Very high	184 Å²	184	56.1 Å²	56.1	80%	0.8	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	143.3	-177.6	-66.1	-175.9	178.7	-178.9	0	110
140	P	97.1	Very high	97.6	Very high	42 Å²	42	51.7 Å²	51.7	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.6	25.5	0.9	38.6	-36.1	0	0	0	113.7	R142 V194 E197	P140-R142 WeakPolarHBondContact O-CG 3.43Å; P140-R142 PolarHBondContact O-N 2.81Å; P140-V194 VanDerWaalsContact CD-CG2 3.42Å; P140-V194 HydrophobicContact CG-CG2 4.14Å; P140-E197 WeakPolarHBondContact CG-OE2 3.45Å
141	I	98.1	Very high	97.9	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.072	21%	0.209	C	C	.	.			trans	-60.6	126.8	-175.2	-58	159	0	0	0	110.2	R118 I120 K138 S143 I145 F169	R118-I141 HydrophobicContact CB-CG2 4.19Å; R118-I141 WeakPolarHBondContact O-CG2 3.41Å; I120-I141 HydrophobicContact CD1-CD1 4.11Å; I120-I141 HydrophobicContact CG1-CD1 4.06Å; K138-I141 VanDerWaalsContact O-CB 3.31Å; K138-I141 WeakPolarHBondContact O-CB 3.36Å; K138-I141 PolarHBondContact O-N 2.81Å; I141-S143 VanDerWaalsContact CG2-O 3.22Å; I141-S143 WeakPolarHBondContact CG2-O 3.45Å; I141-I145 HydrophobicContact CD1-CD1 3.98Å; I141-I145 HydrophobicContact CG1-CD1 4.13Å; I141-I145 HydrophobicContact CG2-CD1 3.57Å; I141-I145 HydrophobicContact CG2-CG1 4.28Å; I141-F169 HydrophobicContact CD1-CE2 4.26Å; I141-F169 HydrophobicContact CD1-CZ 3.97Å; I141-F169 HydrophobicContact CG1-CE2 4.29Å; I141-F169 HydrophobicContact CG1-CZ 3.77Å
142	R	96.9	Very high	98.1	Very high	190 Å²	190	43.3 Å²	43.3	72%	0.717	21%	0.207	S	C	*	.			trans	-114.1	-7.6	-176.8	-53.3	-165	-173.6	-158.6	3.2	114.6	R118 P140 D163	R118-R142 VanDerWaalsContact CD-O 3.29Å; R118-R142 WeakPolarHBondContact CD-O 3.49Å; R118-R142 PolarHBondContact NE-O 2.98Å; P140-R142 WeakPolarHBondContact O-CG 3.43Å; P140-R142 PolarHBondContact O-N 2.81Å; R142-D163 HydrophobicContact CB-CB 4.05Å; R142-D163 PolarHBondContact N-OD2 2.76Å
143	S	97.8	Very high	98.1	Very high	33 Å²	33	44.8 Å²	44.8	23%	0.231	22%	0.217	C	C	.	.	S	Bend	trans	-146.9	-177.3	179.6	-156.5	0	0	0	0	111.7	R118 I141 I145 C162	R118-S143 WeakPolarHBondContact CA-O 3.47Å; I141-S143 VanDerWaalsContact CG2-O 3.22Å; I141-S143 WeakPolarHBondContact CG2-O 3.45Å; S143-I145 PolarHBondContact O-N 2.76Å; S143-C162 VanDerWaalsContact OG-CB 3.26Å; S143-C162 WeakPolarHBondContact OG-CB 2.98Å
144	T	98.7	Very high	98.2	Very high	39 Å²	39	44 Å²	44	24%	0.239	21%	0.211	C	C	.	.			trans	-55.4	133.8	179.4	-58.6	0	0	0	0	111.6	T100 L146 S161 C162	T100-T144 HydrophobicContact CG2-CG2 3.76Å; T144-L146 HydrophobicContact CG2-CD2 4.13Å; T144-S161 CarbonylContact O-C 3.54Å; T144-S161 WeakPolarHBondContact O-CA 3.41Å; T144-S161 VanDerWaalsContact O-CB 3.24Å; T144-S161 WeakPolarHBondContact O-CB 3.46Å; T144-C162 PolarHBondContact O-N 2.89Å
145	I	98.8	Very high	98.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.4	168	-58.8	-56.7	0	0	0	108.5	T100 S115 I120 I141 S143 L148	T100-I145 WeakPolarHBondContact CB-O 3.32Å; T100-I145 PolarHBondContact OG1-O 3Å; S115-I145 PolarHBondContact O-N 3.44Å; I120-I145 HydrophobicContact CD1-CD1 4.46Å; I120-I145 HydrophobicContact CG1-CD1 4.26Å; I120-I145 HydrophobicContact CG1-CG1 3.86Å; I120-I145 HydrophobicContact CG1-CG2 4.46Å; I141-I145 HydrophobicContact CD1-CD1 3.98Å; I141-I145 HydrophobicContact CG1-CD1 4.13Å; I141-I145 HydrophobicContact CG2-CD1 3.57Å; I141-I145 HydrophobicContact CG2-CG1 4.28Å; S143-I145 PolarHBondContact O-N 2.76Å; I145-L148 HydrophobicContact CG2-CD2 3.91Å; I145-L148 HydrophobicContact CG2-CG 4.12Å
146	L	98.8	Very high	98.2	Very high	42 Å²	42	41.2 Å²	41.2	22%	0.22	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-31	-178.5	-65.5	179.5	0	0	0	112.8	F101 T144 G160 C162 W206	F101-L146 WeakPolarHBondContact CD2-O 3.41Å; T144-L146 HydrophobicContact CG2-CD2 4.13Å; L146-G160 PolarHBondContact N-O 3.01Å; L146-C162 VanDerWaalsContact CD1-SG 3.58Å; L146-W206 HydrophobicContact CD1-CB 3.88Å
147	S	98.8	Very high	98.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	153.4	-176.3	47.8	0	0	0	0	112	A159 G160 H208 S209 V210	S147-A159 WeakPolarHBondContact O-CA 3.37Å; S147-G160 PolarHBondContact N-O 2.63Å; S147-G160 PolarHBondContact O-N 3.08Å; S147-H208 WeakPolarHBondContact CB-O 3.25Å; S147-H208 PolarHBondContact OG-O 3Å; S147-S209 VanDerWaalsContact OG-CA 3.25Å; S147-S209 WeakPolarHBondContact OG-CA 3.46Å; S147-V210 PolarHBondContact OG-N 3.03Å
148	L	98.9	Very high	98.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.4	177.7	-64.6	171.5	0	0	0	109.4	F101 A112 I120 I145 L157 A158 A159	F101-L148 HydrophobicContact CD1-CB 3.92Å; F101-L148 HydrophobicContact CD1-CG 4.33Å; F101-L148 HydrophobicContact CE1-CB 4.28Å; F101-L148 WeakPolarHBondContact CE1-O 3.3Å; A112-L148 HydrophobicContact CB-CD1 3.84Å; I120-L148 HydrophobicContact CD1-CD2 3.76Å; I120-L148 HydrophobicContact CG1-CD2 4.14Å; I120-L148 HydrophobicContact CG2-CD1 4.25Å; I120-L148 HydrophobicContact CG2-CD2 4.34Å; I145-L148 HydrophobicContact CG2-CD2 3.91Å; I145-L148 HydrophobicContact CG2-CG 4.12Å; L148-L157 HydrophobicContact CB-CD1 4.21Å; L148-L157 HydrophobicContact CD2-CD1 4.3Å; L148-L157 HydrophobicContact CD2-CD2 4.2Å; L148-L157 HydrophobicContact CD2-CG 4.22Å; L148-A158 VanDerWaalsContact CA-O 3.31Å; L148-A158 WeakPolarHBondContact CA-O 3.32Å; L148-A159 HydrophobicContact CD2-CB 3.74Å
149	D	98.9	Very high	98.3	Very high	26 Å²	26	33.9 Å²	33.9	14%	0.139	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	135.4	167.6	-168	31.4	0	0	0	110.6	A158 V210 S211 F212 K337	D149-A158 PolarHBondContact N-O 2.68Å; D149-A158 VanDerWaalsContact N-O 3.13Å; D149-A158 PolarHBondContact O-N 2.69Å; D149-V210 HydrophobicContact CB-CG2 4.1Å; D149-S211 VanDerWaalsContact OD2-CA 3.22Å; D149-S211 WeakPolarHBondContact OD2-CA 3.14Å; D149-F212 PolarHBondContact OD2-N 3.01Å; D149-K337 IonicContact OD1-NZ 3.76Å; D149-K337 PolarHBondContact OD1-NZ 2.84Å; D149-K337 IonicContact OD2-NZ 2.8Å; D149-K337 PolarHBondContact OD2-NZ 3.43Å
150	W	98.9	Very high	98.4	Very high	11 Å²	11	25.1 Å²	25.1	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.6	-177.9	-73.3	95.8	0	0	0	110.7	K103 W104 P106 K110 A112 V122 N154 L157 A171	K103-W150 PolarHBondContact O-NE1 2.79Å; W104-W150 PolarHBondContact O-NE1 3.14Å; P106-W150 HydrophobicContact CG-CB 4.11Å; K110-W150 HydrophobicContact CD-CH2 4.02Å; K110-W150 HydrophobicContact CG-CH2 4.14Å; K110-W150 HydrophobicContact CG-CZ2 4.41Å; A112-W150 HydrophobicContact CB-CH2 4.49Å; A112-W150 HydrophobicContact CB-CZ2 3.58Å; V122-W150 HydrophobicContact CG1-CH2 4.3Å; W150-N154 VanDerWaalsContact CZ3-O 3.29Å; W150-N154 WeakPolarHBondContact CZ3-O 2.93Å; W150-L157 HydrophobicContact CD2-CD1 3.75Å; W150-L157 HydrophobicContact CE3-CB 4.31Å; W150-L157 HydrophobicContact CE3-CD1 4.17Å; W150-L157 HydrophobicContact CG-CD1 4.02Å; W150-L157 HydrophobicContact CZ2-CD1 4.3Å; W150-L157 HydrophobicContact CZ3-CB 4.34Å; W150-A171 HydrophobicContact CH2-CB 3.55Å; W150-A171 HydrophobicContact CZ3-CB 3.61Å
151	H	98.8	Very high	98.5	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.037	12%	0.116	C	C	.	.			trans	-69.6	148.3	167.2	-177.4	-84.2	0	0	0	110	N153 N154 L156 F212 G216	H151-N153 WeakPolarHBondContact ND1-CB 3.4Å; H151-N153 PolarHBondContact ND1-N 3.04Å; H151-N153 PolarHBondContact ND1-OD1 3.42Å; H151-N153 PolarHBondContact O-N 2.9Å; H151-N154 PolarHBondContact O-N 2.87Å; H151-L156 HydrophobicContact CB-CB 3.54Å; H151-L156 VanDerWaalsContact CB-O 3.27Å; H151-L156 WeakPolarHBondContact CB-O 3.4Å; H151-L156 PolarHBondContact N-O 3.18Å; H151-F212 HydrophobicContact CB-CD2 3.87Å; H151-F212 HydrophobicContact CB-CE1 4.48Å; H151-F212 HydrophobicContact CB-CE2 3.72Å; H151-F212 HydrophobicContact CB-CG 4.28Å; H151-F212 HydrophobicContact CB-CZ 4.07Å; H151-F212 AromaticContact CD2-CD1 3.94Å; H151-F212 AromaticContact CD2-CE1 3.86Å; H151-G216 VanDerWaalsContact CD2-CA 3.47Å; H151-G216 WeakPolarHBondContact CD2-CA 3.03Å; H151-G216 PolarHBondContact CD2-O 3.06Å; H151-G216 WeakPolarHBondContact NE2-CA 3.34Å; H151-G216 PolarHBondContact NE2-O 3.49Å
152	P	98.1	Very high	98.5	Very high	61 Å²	61	23.5 Å²	23.5	40%	0.396	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.1	-178.3	19.9	-34.4	0	0	0	114.9	N154 S215	P152-N154 PolarHBondContact O-N 3.29Å; P152-S215 WeakPolarHBondContact CG-O 3.34Å
153	N	97.6	Very high	98.4	Very high	49 Å²	49	15.6 Å²	15.6	26%	0.262	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	2.5	176.5	80.2	-13.1	0	0	0	115	H151 I155 L156	H151-N153 WeakPolarHBondContact ND1-CB 3.4Å; H151-N153 PolarHBondContact ND1-N 3.04Å; H151-N153 PolarHBondContact ND1-OD1 3.42Å; H151-N153 PolarHBondContact O-N 2.9Å; N153-I155 PolarHBondContact O-N 3.29Å; N153-I155 PolarHBondContact OD1-N 3.36Å; N153-L156 PolarHBondContact OD1-N 3.3Å; N153-L156 VanDerWaalsContact OD1-N 3.08Å
154	N	98.4	Very high	98.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.1	C	C	.	.	S	Bend	trans	67.4	-2.9	-178.6	-153.4	70.5	0	0	0	115.8	S105 P106 L107 N109 K110 W150 H151 P152 E177	S105-N154 WeakPolarHBondContact CB-OD1 2.93Å; S105-N154 PolarHBondContact OG-OD1 2.87Å; P106-N154 VanDerWaalsContact CD-OD1 3.32Å; P106-N154 WeakPolarHBondContact CD-OD1 2.99Å; L107-N154 WeakPolarHBondContact CB-OD1 3.29Å; L107-N154 HydrophobicContact CD1-CB 3.83Å; L107-N154 HydrophobicContact CG-CB 3.85Å; L107-N154 PolarHBondContact N-OD1 3.2Å; N109-N154 PolarHBondContact OD1-ND2 3.04Å; K110-N154 WeakPolarHBondContact CE-ND2 3.5Å; K110-N154 WeakPolarHBondContact CE-O 3.45Å; K110-N154 PolarHBondContact NZ-O 3.45Å; W150-N154 VanDerWaalsContact CZ3-O 3.29Å; W150-N154 WeakPolarHBondContact CZ3-O 2.93Å; H151-N154 PolarHBondContact O-N 2.87Å; P152-N154 PolarHBondContact O-N 3.29Å; N154-E177 PolarHBondContact ND2-OE2 3.05Å
155	I	98.6	Very high	98.3	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	10%	0.095	C	C	.	.	S	Bend	trans	-105	-53.4	-175.1	-58.8	-46.1	0	0	0	112.2	N153 A171 Y172 E177 P180 M189	N153-I155 PolarHBondContact O-N 3.29Å; N153-I155 PolarHBondContact OD1-N 3.36Å; I155-A171 PolarHBondContact O-N 2.81Å; I155-Y172 HydrophobicContact CD1-CD2 3.95Å; I155-E177 HydrophobicContact CD1-CG 3.78Å; I155-E177 WeakPolarHBondContact CD1-OE1 3.5Å; I155-E177 WeakPolarHBondContact CD1-OE2 3.39Å; I155-P180 HydrophobicContact CG1-CB 3.84Å; I155-P180 HydrophobicContact CG1-CG 4.1Å; I155-P180 HydrophobicContact CG2-CG 4.26Å; I155-M189 HydrophobicContact CG2-CB 4.26Å; I155-M189 HydrophobicContact CG2-SD 4.01Å
156	L	98.8	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.5	-174.8	-57.5	175.7	0	0	0	109.7	H151 N153 V168 F169 T183 W185 M189 L195 F212	H151-L156 HydrophobicContact CB-CB 3.54Å; H151-L156 VanDerWaalsContact CB-O 3.27Å; H151-L156 WeakPolarHBondContact CB-O 3.4Å; H151-L156 PolarHBondContact N-O 3.18Å; N153-L156 PolarHBondContact OD1-N 3.3Å; N153-L156 VanDerWaalsContact OD1-N 3.08Å; L156-V168 HydrophobicContact CB-CG1 4.06Å; L156-V168 HydrophobicContact CD1-CG1 4.42Å; L156-V168 HydrophobicContact CD2-CG1 4.3Å; L156-V168 HydrophobicContact CG-CG1 4.5Å; L156-F169 CarbonylContact C-O 3.55Å; L156-F169 WeakPolarHBondContact CA-O 3.22Å; L156-T183 HydrophobicContact CD1-CG2 4.34Å; L156-T183 WeakPolarHBondContact CD1-OG1 3.44Å; L156-W185 HydrophobicContact CD1-CB 3.79Å; L156-W185 HydrophobicContact CD1-CG 3.83Å; L156-M189 HydrophobicContact CD2-CG 4.23Å; L156-M189 HydrophobicContact CD2-SD 3.8Å; L156-M189 HydrophobicContact CG-SD 4.26Å; L156-L195 HydrophobicContact CD2-CD2 3.9Å; L156-L195 HydrophobicContact CD2-CG 3.84Å; L156-F212 HydrophobicContact CB-CZ 4.42Å
157	L	98.9	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	116.9	-176.7	179.9	64.5	0	0	0	108.7	A112 I120 L148 W150 F169 A171	A112-L157 HydrophobicContact CB-CD1 4.18Å; A112-L157 HydrophobicContact CB-CD2 3.58Å; I120-L157 HydrophobicContact CD1-CD2 4.38Å; I120-L157 HydrophobicContact CG2-CD2 3.9Å; L148-L157 HydrophobicContact CB-CD1 4.21Å; L148-L157 HydrophobicContact CD2-CD1 4.3Å; L148-L157 HydrophobicContact CD2-CD2 4.2Å; L148-L157 HydrophobicContact CD2-CG 4.22Å; W150-L157 HydrophobicContact CD2-CD1 3.75Å; W150-L157 HydrophobicContact CE3-CB 4.31Å; W150-L157 HydrophobicContact CE3-CD1 4.17Å; W150-L157 HydrophobicContact CG-CD1 4.02Å; W150-L157 HydrophobicContact CZ2-CD1 4.3Å; W150-L157 HydrophobicContact CZ3-CB 4.34Å; L157-F169 PolarHBondContact N-O 3.43Å; L157-F169 PolarHBondContact O-N 3.14Å; L157-A171 HydrophobicContact CB-CB 4.19Å; L157-A171 HydrophobicContact CD2-CB 4.31Å
158	A	98.9	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	143.9	171.4	0	0	0	0	0	109.6	L148 D149 R167 V210 F212 L219	L148-A158 VanDerWaalsContact CA-O 3.31Å; L148-A158 WeakPolarHBondContact CA-O 3.32Å; D149-A158 PolarHBondContact N-O 2.68Å; D149-A158 VanDerWaalsContact N-O 3.13Å; D149-A158 PolarHBondContact O-N 2.69Å; A158-R167 CarbonylContact C-O 3.59Å; A158-R167 VanDerWaalsContact CA-O 3.25Å; A158-R167 WeakPolarHBondContact CA-O 3.32Å; A158-V210 HydrophobicContact CB-CB 4.23Å; A158-V210 HydrophobicContact CB-CG2 3.9Å; A158-F212 HydrophobicContact CB-CD2 3.92Å; A158-F212 HydrophobicContact CB-CE2 3.48Å; A158-F212 VanDerWaalsContact CB-CE2 3.48Å; A158-F212 HydrophobicContact CB-CZ 4.04Å; A158-L219 HydrophobicContact CB-CD1 3.55Å; A158-L219 HydrophobicContact CB-CD2 4.14Å
159	A	98.9	Very high	98.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.3	177.7	0	0	0	0	0	111.8	I120 S147 L148 C166 R167 F169	I120-A159 HydrophobicContact CD1-CB 3.7Å; S147-A159 WeakPolarHBondContact O-CA 3.37Å; L148-A159 HydrophobicContact CD2-CB 3.74Å; A159-C166 WeakPolarHBondContact O-CA 3.22Å; A159-R167 PolarHBondContact N-O 2.87Å; A159-R167 PolarHBondContact O-N 3.01Å; A159-F169 HydrophobicContact CB-CD2 4.28Å; A159-F169 HydrophobicContact CB-CE2 4.12Å
160	G	98.6	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.2	168.8	0	0	0	0	0	110.8	L146 S147 V207	L146-G160 PolarHBondContact N-O 3.01Å; S147-G160 PolarHBondContact N-O 2.63Å; S147-G160 PolarHBondContact O-N 3.08Å; G160-V207 CarbonylContact C-O 3.57Å
161	S	98.1	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.3	-176.1	59.3	0	0	0	0	114.6	T144 D163 F164 K165 R167 V207	T144-S161 CarbonylContact O-C 3.54Å; T144-S161 WeakPolarHBondContact O-CA 3.41Å; T144-S161 VanDerWaalsContact O-CB 3.24Å; T144-S161 WeakPolarHBondContact O-CB 3.46Å; S161-D163 PolarHBondContact O-N 2.82Å; S161-D163 PolarHBondContact OG-OD1 2.94Å; S161-F164 PolarHBondContact O-N 2.76Å; S161-K165 PolarHBondContact N-O 3.49Å; S161-K165 PolarHBondContact OG-O 2.9Å; S161-R167 PolarHBondContact OG-NH1 2.89Å; S161-V207 PolarHBondContact O-N 2.87Å
162	C	97.5	Very high	98.1	Very high	21 Å²	21	16.3 Å²	16.3	14%	0.142	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-1.8	178	-69.4	0	0	0	0	114	S143 T144 L146 F164 W206	S143-C162 VanDerWaalsContact OG-CB 3.26Å; S143-C162 WeakPolarHBondContact OG-CB 2.98Å; T144-C162 PolarHBondContact O-N 2.89Å; L146-C162 VanDerWaalsContact CD1-SG 3.58Å; C162-F164 PolarHBondContact O-N 3.48Å; C162-W206 HydrophobicContact CB-CG 4.29Å
163	D	96.1	Very high	98.1	Very high	24 Å²	24	13.4 Å²	13.4	13%	0.128	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	14.8	170.6	71.3	11.7	0	0	0	112.5	R142 S161 K165 R167	R142-D163 HydrophobicContact CB-CB 4.05Å; R142-D163 PolarHBondContact N-OD2 2.76Å; S161-D163 PolarHBondContact O-N 2.82Å; S161-D163 PolarHBondContact OG-OD1 2.94Å; D163-K165 PolarHBondContact O-N 3.05Å; D163-K165 WeakPolarHBondContact OD1-CB 3.4Å; D163-K165 VanDerWaalsContact OD1-CG 3.28Å; D163-K165 WeakPolarHBondContact OD1-CG 3.32Å; D163-K165 PolarHBondContact OD1-N 3.31Å; D163-R167 IonicContact OD1-CZ 2.63Å; D163-R167 IonicContact OD1-NH1 2.89Å; D163-R167 PolarHBondContact OD1-NH1 3.05Å; D163-R167 IonicContact OD1-NH2 3.37Å; D163-R167 IonicContact OD2-CZ 2.81Å; D163-R167 IonicContact OD2-NH1 3.8Å; D163-R167 PolarHBondContact OD2-NH1 3.41Å; D163-R167 IonicContact OD2-NH2 3.46Å; D163-R167 PolarHBondContact OD2-NH2 3.06Å
164	F	97	Very high	98.1	Very high	94 Å²	94	18.2 Å²	18.2	41%	0.412	8%	0.082	S	C	.	.	S	Bend	trans	68.7	19	177.1	-37.3	-56.6	0	0	0	113.9	S161 C162 G205 W206	S161-F164 PolarHBondContact O-N 2.76Å; C162-F164 PolarHBondContact O-N 3.48Å; F164-G205 VanDerWaalsContact CD1-C 3.5Å; F164-W206 AromaticContact CD1-CD1 3.84Å; F164-W206 AromaticContact CE1-CD1 3.41Å; F164-W206 VanDerWaalsContact CE1-CD1 3.41Å; F164-W206 AromaticContact CE1-NE1 3.72Å
165	K	96.9	Very high	97.9	Very high	35 Å²	35	22.2 Å²	22.2	15%	0.152	10%	0.101	C	C	.	.			trans	-112.2	141.7	-179.7	-54.9	-68.3	-171.4	139.1	0	112.5	S161 D163 R167 E197 F198 G199	S161-K165 PolarHBondContact N-O 3.49Å; S161-K165 PolarHBondContact OG-O 2.9Å; D163-K165 PolarHBondContact O-N 3.05Å; D163-K165 WeakPolarHBondContact OD1-CB 3.4Å; D163-K165 VanDerWaalsContact OD1-CG 3.28Å; D163-K165 WeakPolarHBondContact OD1-CG 3.32Å; D163-K165 PolarHBondContact OD1-N 3.31Å; K165-R167 HydrophobicContact CB-CG 4.3Å; K165-E197 HydrophobicContact CB-CG 4.43Å; K165-E197 HydrophobicContact CD-CG 4.05Å; K165-E197 WeakPolarHBondContact CE-OE1 3.5Å; K165-E197 HydrophobicContact CG-CG 4.4Å; K165-E197 IonicContact NZ-OE1 2.8Å; K165-E197 PolarHBondContact NZ-OE1 2.93Å; K165-F198 VanDerWaalsContact CA-O 3.29Å; K165-F198 WeakPolarHBondContact CA-O 3.41Å; K165-F198 VanDerWaalsContact CD-O 3.29Å; K165-F198 WeakPolarHBondContact CD-O 3.36Å; K165-G199 WeakPolarHBondContact CD-O 3.32Å; K165-G199 WeakPolarHBondContact CE-O 3.31Å; K165-G199 PolarHBondContact NZ-O 3.02Å
166	C	97.4	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.3	160.2	-178.3	0	0	0	0	107.8	A159 F198 V207 W221	A159-C166 WeakPolarHBondContact O-CA 3.22Å; C166-F198 HydrophobicContact CB-CB 4.46Å; C166-F198 PolarHBondContact N-O 2.84Å; C166-F198 VanDerWaalsContact N-O 3.14Å; C166-F198 PolarHBondContact O-N 2.69Å; C166-V207 HydrophobicContact CB-CG1 4.41Å; C166-W221 HydrophobicContact CB-CB 4.48Å; C166-W221 HydrophobicContact CB-CD2 3.75Å; C166-W221 HydrophobicContact CB-CE3 4.17Å; C166-W221 HydrophobicContact CB-CG 3.92Å; C166-W221 HydrophobicContact CB-CZ2 4.43Å
167	R	98.3	Very high	97.6	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.4	-176.5	-66.4	-177.5	-176.6	96	-6.7	111.6	A158 A159 S161 D163 K165 F169 A196 E197	A158-R167 CarbonylContact C-O 3.59Å; A158-R167 VanDerWaalsContact CA-O 3.25Å; A158-R167 WeakPolarHBondContact CA-O 3.32Å; A159-R167 PolarHBondContact N-O 2.87Å; A159-R167 PolarHBondContact O-N 3.01Å; S161-R167 PolarHBondContact OG-NH1 2.89Å; D163-R167 IonicContact OD1-CZ 2.63Å; D163-R167 IonicContact OD1-NH1 2.89Å; D163-R167 PolarHBondContact OD1-NH1 3.05Å; D163-R167 IonicContact OD1-NH2 3.37Å; D163-R167 IonicContact OD2-CZ 2.81Å; D163-R167 IonicContact OD2-NH1 3.8Å; D163-R167 PolarHBondContact OD2-NH1 3.41Å; D163-R167 IonicContact OD2-NH2 3.46Å; D163-R167 PolarHBondContact OD2-NH2 3.06Å; K165-R167 HydrophobicContact CB-CG 4.3Å; R167-F169 HydrophobicContact CB-CD2 4.08Å; R167-F169 HydrophobicContact CB-CE2 3.5Å; R167-F169 VanDerWaalsContact CB-CE2 3.5Å; R167-F169 HydrophobicContact CB-CZ 3.94Å; R167-F169 VanDerWaalsContact CD-CZ 3.42Å; R167-F169 HydrophobicContact CG-CE2 4.3Å; R167-F169 HydrophobicContact CG-CZ 4.33Å; R167-A196 WeakPolarHBondContact CA-O 3.46Å; R167-E197 HydrophobicContact CG-CB 4.19Å; R167-E197 HydrophobicContact CG-CG 3.96Å; R167-E197 IonicContact CZ-OE2 3.49Å; R167-E197 IonicContact NE-OE2 2.62Å; R167-E197 PolarHBondContact NE-OE2 3.37Å; R167-E197 IonicContact NH2-OE2 3.25Å; R167-E197 PolarHBondContact NH2-OE2 2.85Å
168	V	98.6	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.8	167.4	-179.2	0	0	0	0	108.6	L156 W185 L195 A196 F212 L219	L156-V168 HydrophobicContact CB-CG1 4.06Å; L156-V168 HydrophobicContact CD1-CG1 4.42Å; L156-V168 HydrophobicContact CD2-CG1 4.3Å; L156-V168 HydrophobicContact CG-CG1 4.5Å; V168-W185 HydrophobicContact CG2-CE3 4.09Å; V168-W185 HydrophobicContact CG2-CH2 4.37Å; V168-W185 HydrophobicContact CG2-CZ3 3.99Å; V168-L195 HydrophobicContact CB-CB 4.35Å; V168-L195 HydrophobicContact CG1-CB 4.11Å; V168-L195 PolarHBondContact O-N 3.31Å; V168-A196 HydrophobicContact CB-CB 4.18Å; V168-A196 HydrophobicContact CG2-CB 4.24Å; V168-A196 PolarHBondContact N-O 3.28Å; V168-A196 PolarHBondContact O-N 3.21Å; V168-F212 HydrophobicContact CG1-CZ 3.96Å; V168-F212 HydrophobicContact CG2-CE1 4.45Å; V168-F212 HydrophobicContact CG2-CZ 3.95Å; V168-L219 HydrophobicContact CG2-CD2 3.52Å
169	F	98.8	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	156.4	176.6	-64.9	-83.2	0	0	0	111.8	I120 I137 I141 L156 L157 A159 R167 A193 V194	I120-F169 HydrophobicContact CD1-CD2 4.11Å; I120-F169 HydrophobicContact CD1-CE2 4.14Å; I137-F169 HydrophobicContact CD1-CB 4.03Å; I137-F169 HydrophobicContact CG2-CB 4.45Å; I137-F169 HydrophobicContact CG2-CD1 3.49Å; I137-F169 VanDerWaalsContact CG2-CD1 3.49Å; I137-F169 HydrophobicContact CG2-CD2 4.44Å; I137-F169 HydrophobicContact CG2-CE1 3.64Å; I137-F169 HydrophobicContact CG2-CG 3.9Å; I137-F169 HydrophobicContact CG2-CZ 4.21Å; I141-F169 HydrophobicContact CD1-CE2 4.26Å; I141-F169 HydrophobicContact CD1-CZ 3.97Å; I141-F169 HydrophobicContact CG1-CE2 4.29Å; I141-F169 HydrophobicContact CG1-CZ 3.77Å; L156-F169 CarbonylContact C-O 3.55Å; L156-F169 WeakPolarHBondContact CA-O 3.22Å; L157-F169 PolarHBondContact N-O 3.43Å; L157-F169 PolarHBondContact O-N 3.14Å; A159-F169 HydrophobicContact CB-CD2 4.28Å; A159-F169 HydrophobicContact CB-CE2 4.12Å; R167-F169 HydrophobicContact CB-CD2 4.08Å; R167-F169 HydrophobicContact CB-CE2 3.5Å; R167-F169 VanDerWaalsContact CB-CE2 3.5Å; R167-F169 HydrophobicContact CB-CZ 3.94Å; R167-F169 VanDerWaalsContact CD-CZ 3.42Å; R167-F169 HydrophobicContact CG-CE2 4.3Å; R167-F169 HydrophobicContact CG-CZ 4.33Å; F169-A193 CarbonylContact C-O 3.54Å; F169-A193 WeakPolarHBondContact CA-O 3.32Å; F169-V194 HydrophobicContact CD1-CG2 4Å; F169-V194 HydrophobicContact CE1-CG2 3.65Å
170	S	98.6	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.6	158.4	172.8	0	0	0	0	109.7	Y172 M189 P190 G192 A193	S170-Y172 WeakPolarHBondContact OG-CB 3.39Å; S170-Y172 PolarHBondContact OG-N 2.55Å; S170-M189 PolarHBondContact OG-O 2.89Å; S170-P190 VanDerWaalsContact CB-O 3.24Å; S170-P190 WeakPolarHBondContact CB-O 3.34Å; S170-P190 PolarHBondContact OG-O 3.01Å; S170-G192 PolarHBondContact O-N 2.94Å; S170-A193 PolarHBondContact N-O 3.13Å
171	A	98.6	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.			trans	-108.9	34.7	169.5	0	0	0	0	0	111	K110 V122 I137 W150 I155 L157	K110-A171 PolarHBondContact NZ-O 2.69Å; V122-A171 HydrophobicContact CG1-CB 4.24Å; V122-A171 HydrophobicContact CG2-CB 3.83Å; I137-A171 HydrophobicContact CD1-CB 4.21Å; W150-A171 HydrophobicContact CH2-CB 3.55Å; W150-A171 HydrophobicContact CZ3-CB 3.61Å; I155-A171 PolarHBondContact O-N 2.81Å; L157-A171 HydrophobicContact CB-CB 4.19Å; L157-A171 HydrophobicContact CD2-CB 4.31Å
172	Y	98.5	Very high	96.7	Very high	48 Å²	48	50.6 Å²	50.6	19%	0.188	26%	0.257	C	S	.	.			trans	-65.2	127.2	178	173.6	-129.1	0	0	0	112.7	I155 S170 K174 E177 E178 P180 M189 F191	I155-Y172 HydrophobicContact CD1-CD2 3.95Å; S170-Y172 WeakPolarHBondContact OG-CB 3.39Å; S170-Y172 PolarHBondContact OG-N 2.55Å; Y172-K174 HydrophobicContact CE1-CB 4.2Å; Y172-E177 WeakPolarHBondContact CA-OE1 3.39Å; Y172-E177 HydrophobicContact CD2-CG 3.66Å; Y172-E177 HydrophobicContact CE2-CG 3.72Å; Y172-E178 WeakPolarHBondContact CE2-O 3.48Å; Y172-P180 HydrophobicContact CD2-CG 4.45Å; Y172-P180 HydrophobicContact CG-CG 4.47Å; Y172-M189 WeakPolarHBondContact CB-O 3.47Å; Y172-F191 WeakPolarHBondContact O-CB 3.37Å; Y172-F191 VanDerWaalsContact O-CD2 3.29Å; Y172-F191 WeakPolarHBondContact O-CD2 3.19Å
173	I	97.9	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.			trans	-123.8	97.6	179.1	-53.2	-66.3	0	0	0	107.7	K110 V122 Y124 K135 E175 V176 E177 F191	K110-I173 HydrophobicContact CD-CG1 4.04Å; V122-I173 HydrophobicContact CG1-CD1 4.06Å; V122-I173 HydrophobicContact CG1-CG1 4.1Å; Y124-I173 HydrophobicContact CD1-CD1 4.23Å; Y124-I173 HydrophobicContact CD1-CG1 4.24Å; Y124-I173 HydrophobicContact CD1-CG2 3.63Å; Y124-I173 HydrophobicContact CD2-CG2 4.25Å; Y124-I173 HydrophobicContact CE1-CD1 4.25Å; Y124-I173 HydrophobicContact CE1-CG2 3.59Å; Y124-I173 HydrophobicContact CE2-CG2 4.22Å; Y124-I173 HydrophobicContact CG-CG2 3.96Å; K135-I173 HydrophobicContact CB-CD1 4.39Å; K135-I173 HydrophobicContact CD-CD1 3.83Å; K135-I173 HydrophobicContact CG-CD1 4.5Å; I173-E175 HydrophobicContact CG2-CB 4.25Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.46Å; I173-E175 PolarHBondContact O-N 2.66Å; I173-V176 HydrophobicContact CB-CG2 3.77Å; I173-V176 HydrophobicContact CG2-CG2 3.72Å; I173-V176 PolarHBondContact O-N 3.1Å; I173-E177 PolarHBondContact N-OE1 2.91Å; I173-E177 WeakPolarHBondContact O-CG 3.24Å; I173-E177 PolarHBondContact O-N 3.19Å; I173-F191 HydrophobicContact CD1-CD2 3.65Å; I173-F191 HydrophobicContact CD1-CE2 3.61Å
174	K	96.3	Very high	96.7	Very high	150 Å²	150	53 Å²	53	65%	0.652	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-24.8	-178	66.5	171.2	-173.8	171.3	0	114.3	Y172	Y172-K174 HydrophobicContact CE1-CB 4.2Å
175	E	94.9	Very high	96.6	Very high	85 Å²	85	49.4 Å²	49.4	40%	0.397	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.1	-175.6	-59.9	85.6	175	0	0	113.1	Y124 K135 I173	Y124-E175 HydrophobicContact CE2-CB 4.27Å; K135-E175 IonicContact NZ-OE1 3.01Å; K135-E175 PolarHBondContact NZ-OE1 3.03Å; K135-E175 IonicContact NZ-OE2 2.98Å; K135-E175 PolarHBondContact NZ-OE2 3.31Å; I173-E175 HydrophobicContact CG2-CB 4.25Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.46Å; I173-E175 PolarHBondContact O-N 2.66Å
176	V	95.9	Very high	96.5	Very high	40 Å²	40	48.9 Å²	48.9	24%	0.242	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	2	-174.8	-58.9	0	0	0	0	114.1	N109 Y124 I173	N109-V176 PolarHBondContact ND2-O 3.4Å; Y124-V176 HydrophobicContact CD2-CG1 3.52Å; Y124-V176 HydrophobicContact CE2-CG1 4.28Å; Y124-V176 HydrophobicContact CG-CG1 4.08Å; Y124-V176 HydrophobicContact CG-CG2 4.47Å; I173-V176 HydrophobicContact CB-CG2 3.77Å; I173-V176 HydrophobicContact CG2-CG2 3.72Å; I173-V176 PolarHBondContact O-N 3.1Å
177	E	94.8	Very high	96.4	Very high	26 Å²	26	53.1 Å²	53.1	12%	0.121	29%	0.291	C	S	.	.	S	Bend	trans	-155.7	159.1	177.9	73.3	-150.1	143.2	0	0	113.2	K110 N154 I155 Y172 I173	K110-E177 WeakPolarHBondContact CE-OE2 3.41Å; K110-E177 IonicContact NZ-OE1 2.87Å; K110-E177 PolarHBondContact NZ-OE1 3.37Å; K110-E177 IonicContact NZ-OE2 3.96Å; K110-E177 PolarHBondContact NZ-OE2 2.82Å; N154-E177 PolarHBondContact ND2-OE2 3.05Å; I155-E177 HydrophobicContact CD1-CG 3.78Å; I155-E177 WeakPolarHBondContact CD1-OE1 3.5Å; I155-E177 WeakPolarHBondContact CD1-OE2 3.39Å; Y172-E177 WeakPolarHBondContact CA-OE1 3.39Å; Y172-E177 HydrophobicContact CD2-CG 3.66Å; Y172-E177 HydrophobicContact CE2-CG 3.72Å; I173-E177 PolarHBondContact N-OE1 2.91Å; I173-E177 WeakPolarHBondContact O-CG 3.24Å; I173-E177 PolarHBondContact O-N 3.19Å
178	E	94.7	Very high	96.2	Very high	174 Å²	174	61.1 Å²	61.1	81%	0.813	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-71.7	159.3	178.4	-63.5	-176.2	175.4	0	0	112.5	Y172 P180	Y172-E178 WeakPolarHBondContact CE2-O 3.48Å; E178-P180 WeakPolarHBondContact O-CD 3.28Å
179	K	95.1	Very high	96.1	Very high	179 Å²	179	61.6 Å²	61.6	78%	0.778	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-61.3	124.8	177	-177.7	179.1	178.3	-175.5	0	110
180	P	94.8	Very high	96.1	Very high	31 Å²	31	65.4 Å²	65.4	20%	0.201	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-69.6	146.5	-177.8	22.3	-30.2	0	0	0	113.7	I155 Y172 E178 M189	I155-P180 HydrophobicContact CG1-CB 3.84Å; I155-P180 HydrophobicContact CG1-CG 4.1Å; I155-P180 HydrophobicContact CG2-CG 4.26Å; Y172-P180 HydrophobicContact CD2-CG 4.45Å; Y172-P180 HydrophobicContact CG-CG 4.47Å; E178-P180 WeakPolarHBondContact O-CD 3.28Å; P180-M189 HydrophobicContact CB-SD 4.04Å; P180-M189 HydrophobicContact CG-CB 4.08Å; P180-M189 HydrophobicContact CG-SD 4.11Å
181	G	94.3	Very high	96.1	Very high	46 Å²	46	68.5 Å²	68.5	47%	0.474	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-73.8	167.4	162.4	0	0	0	0	0	112.6	M189	G181-M189 VanDerWaalsContact O-CE 3.32Å; G181-M189 WeakPolarHBondContact O-CE 3.35Å
182	P	96.3	Very high	96	Very high	106 Å²	106	69.6 Å²	69.6	69%	0.688	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-65.5	150.5	177.1	29.7	-35.2	0	0	0	111.6
183	T	96.4	Very high	96	Very high	28 Å²	28	68.4 Å²	68.4	17%	0.172	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-126	169.5	168.6	62	0	0	0	0	109.4	L156 W185 G186 M189	L156-T183 HydrophobicContact CD1-CG2 4.34Å; L156-T183 WeakPolarHBondContact CD1-OG1 3.44Å; T183-W185 PolarHBondContact O-N 3.19Å; T183-W185 VanDerWaalsContact O-N 3.1Å; T183-W185 PolarHBondContact OG1-N 3.42Å; T183-G186 PolarHBondContact N-O 3.24Å; T183-G186 CarbonylContact O-C 3.5Å; T183-G186 PolarHBondContact O-N 3.45Å; T183-M189 HydrophobicContact CG2-CE 3.82Å; T183-M189 WeakPolarHBondContact OG1-CE 3.28Å
184	P	95.7	Very high	96	Very high	66 Å²	66	71.5 Å²	71.5	43%	0.429	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.1	172.7	-25.9	37	0	0	0	113.8	G186 S233	P184-G186 VanDerWaalsContact C-N 3.33Å; P184-S233 WeakPolarHBondContact CB-O 3.37Å; P184-S233 WeakPolarHBondContact CB-OG 3.39Å
185	W	96.4	Very high	96.1	Very high	19 Å²	19	66 Å²	66	7%	0.072	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.1	173.6	-58.8	100.3	0	0	0	114.4	L156 V168 T183 L195 A196 F198 F212 G216 N217 L219 V231 S233	L156-W185 HydrophobicContact CD1-CB 3.79Å; L156-W185 HydrophobicContact CD1-CG 3.83Å; V168-W185 HydrophobicContact CG2-CE3 4.09Å; V168-W185 HydrophobicContact CG2-CH2 4.37Å; V168-W185 HydrophobicContact CG2-CZ3 3.99Å; T183-W185 PolarHBondContact O-N 3.19Å; T183-W185 VanDerWaalsContact O-N 3.1Å; T183-W185 PolarHBondContact OG1-N 3.42Å; W185-L195 HydrophobicContact CB-CB 4.35Å; W185-A196 HydrophobicContact CE3-CB 4.02Å; W185-A196 HydrophobicContact CZ3-CB 4.02Å; W185-F198 AromaticContact CZ3-CE2 3.96Å; W185-F198 HydrophobicContact CZ3-CE2 3.96Å; W185-F198 AromaticContact CZ3-CZ 3.94Å; W185-F198 HydrophobicContact CZ3-CZ 3.94Å; W185-F212 AromaticContact CE2-CE1 3.76Å; W185-F212 HydrophobicContact CZ2-CD1 4.36Å; W185-F212 AromaticContact CZ2-CE1 3.69Å; W185-F212 HydrophobicContact CZ2-CE1 3.69Å; W185-F212 AromaticContact NE1-CE1 3.75Å; W185-G216 PolarHBondContact NE1-O 2.85Å; W185-N217 WeakPolarHBondContact CZ2-O 3.41Å; W185-L219 HydrophobicContact CH2-CB 3.66Å; W185-L219 HydrophobicContact CH2-CD2 4.35Å; W185-L219 HydrophobicContact CZ2-CB 3.92Å; W185-V231 HydrophobicContact CH2-CG1 3.76Å; W185-V231 HydrophobicContact CZ3-CG1 4.27Å; W185-S233 PolarHBondContact NE1-OG 3.09Å
186	G	94.7	Very high	96.2	Very high	24 Å²	24	62.7 Å²	62.7	25%	0.247	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	150.6	165	179.3	0	0	0	0	0	113.6	T183 P184 M189	T183-G186 PolarHBondContact N-O 3.24Å; T183-G186 CarbonylContact O-C 3.5Å; T183-G186 PolarHBondContact O-N 3.45Å; P184-G186 VanDerWaalsContact C-N 3.33Å; G186-M189 WeakPolarHBondContact O-CE 3.42Å
187	S	94.1	Very high	96.1	Very high	90 Å²	90	64.5 Å²	64.5	63%	0.629	37%	0.367	S	S	*	.	S	Bend	trans	-102.5	-21.1	-177.3	57	0	0	0	0	114.3
188	K	95.5	Very high	96.1	Very high	171 Å²	171	64.5 Å²	64.5	74%	0.743	37%	0.367	S	S	*	.			trans	-110.9	113.5	-179.3	-66.3	-176.5	-178	178.8	0	109.7	P190	K188-P190 WeakPolarHBondContact O-CD 3.43Å
189	M	96.7	Very high	95.7	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.054	35%	0.35	C	S	.	.			trans	-123.8	52.2	-175	-58.1	177	-154.7	0	0	113	I155 L156 S170 Y172 P180 G181 T183 G186 L195	I155-M189 HydrophobicContact CG2-CB 4.26Å; I155-M189 HydrophobicContact CG2-SD 4.01Å; L156-M189 HydrophobicContact CD2-CG 4.23Å; L156-M189 HydrophobicContact CD2-SD 3.8Å; L156-M189 HydrophobicContact CG-SD 4.26Å; S170-M189 PolarHBondContact OG-O 2.89Å; Y172-M189 WeakPolarHBondContact CB-O 3.47Å; P180-M189 HydrophobicContact CB-SD 4.04Å; P180-M189 HydrophobicContact CG-CB 4.08Å; P180-M189 HydrophobicContact CG-SD 4.11Å; G181-M189 VanDerWaalsContact O-CE 3.32Å; G181-M189 WeakPolarHBondContact O-CE 3.35Å; T183-M189 HydrophobicContact CG2-CE 3.82Å; T183-M189 WeakPolarHBondContact OG1-CE 3.28Å; G186-M189 WeakPolarHBondContact O-CE 3.42Å; M189-L195 HydrophobicContact CG-CD1 4.35Å
190	P	97.4	Very high	94.3	Very high	79 Å²	79	52 Å²	52	51%	0.513	34%	0.336	S	S	.	.			trans	-63.2	153.9	170.4	30.4	-32.5	0	0	0	110.2	S170 K188 G192 A193	S170-P190 VanDerWaalsContact CB-O 3.24Å; S170-P190 WeakPolarHBondContact CB-O 3.34Å; S170-P190 PolarHBondContact OG-O 3.01Å; K188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-G192 PolarHBondContact O-N 2.64Å; P190-A193 HydrophobicContact CG-CB 4Å; P190-A193 VanDerWaalsContact O-CB 3.27Å; P190-A193 WeakPolarHBondContact O-CB 3.34Å; P190-A193 PolarHBondContact O-N 3.4Å; P190-A193 VanDerWaalsContact O-N 3.08Å
191	F	98.4	Very high	91.9	Very high	66 Å²	66	55.7 Å²	55.7	29%	0.289	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	130	-179.3	-177.5	-97.8	0	0	0	112	V122 K135 H136 I137 Y172 I173 A193	V122-F191 HydrophobicContact CB-CE2 3.98Å; V122-F191 HydrophobicContact CB-CZ 4.32Å; V122-F191 HydrophobicContact CG1-CE2 4.41Å; V122-F191 HydrophobicContact CG2-CE2 3.92Å; V122-F191 HydrophobicContact CG2-CZ 4.22Å; K135-F191 HydrophobicContact CB-CE1 3.81Å; K135-F191 HydrophobicContact CB-CE2 4.01Å; K135-F191 HydrophobicContact CB-CZ 3.45Å; K135-F191 VanDerWaalsContact CB-CZ 3.45Å; H136-F191 WeakPolarHBondContact O-CE1 3.4Å; I137-F191 HydrophobicContact CD1-CE2 4.38Å; I137-F191 HydrophobicContact CD1-CZ 4.36Å; I137-F191 HydrophobicContact CG1-CE1 4.02Å; I137-F191 HydrophobicContact CG1-CE2 4.11Å; I137-F191 HydrophobicContact CG1-CZ 3.61Å; Y172-F191 WeakPolarHBondContact O-CB 3.37Å; Y172-F191 VanDerWaalsContact O-CD2 3.29Å; Y172-F191 WeakPolarHBondContact O-CD2 3.19Å; I173-F191 HydrophobicContact CD1-CD2 3.65Å; I173-F191 HydrophobicContact CD1-CE2 3.61Å; F191-A193 VanDerWaalsContact C-N 3.29Å; F191-A193 PolarHBondContact O-N 3.36Å
192	G	98.3	Very high	89.8	Confident	22 Å²	22	58 Å²	58	23%	0.227	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	1.1	178.3	0	0	0	0	0	115.4	S170 P190	S170-G192 PolarHBondContact O-N 2.94Å; P190-G192 PolarHBondContact O-N 2.64Å
193	A	98.3	Very high	88	Confident	24 Å²	24	56 Å²	56	20%	0.198	39%	0.391	C	S	.	.			trans	-59.4	139.8	172.4	0	0	0	0	0	111	F169 S170 P190 F191 L195	F169-A193 CarbonylContact C-O 3.54Å; F169-A193 WeakPolarHBondContact CA-O 3.32Å; S170-A193 PolarHBondContact N-O 3.13Å; P190-A193 HydrophobicContact CG-CB 4Å; P190-A193 VanDerWaalsContact O-CB 3.27Å; P190-A193 WeakPolarHBondContact O-CB 3.34Å; P190-A193 PolarHBondContact O-N 3.4Å; P190-A193 VanDerWaalsContact O-N 3.08Å; F191-A193 VanDerWaalsContact C-N 3.29Å; F191-A193 PolarHBondContact O-N 3.36Å; A193-L195 HydrophobicContact CB-CD2 4.22Å; A193-L195 VanDerWaalsContact O-CD2 3.24Å; A193-L195 WeakPolarHBondContact O-CD2 3.49Å
194	V	98.1	Very high	87.1	Confident	64 Å²	64	56.3 Å²	56.3	39%	0.388	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.4	168.8	-175.1	0	0	0	0	107.7	P140 F169 E197	P140-V194 VanDerWaalsContact CD-CG2 3.42Å; P140-V194 HydrophobicContact CG-CG2 4.14Å; F169-V194 HydrophobicContact CD1-CG2 4Å; F169-V194 HydrophobicContact CE1-CG2 3.65Å; V194-E197 HydrophobicContact CG1-CB 4.35Å
195	L	97.2	Very high	86.9	Confident	35 Å²	35	53.5 Å²	53.5	18%	0.183	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-32.5	178.5	-67.2	-57	0	0	0	110.7	L156 V168 W185 M189 A193	L156-L195 HydrophobicContact CD2-CD2 3.9Å; L156-L195 HydrophobicContact CD2-CG 3.84Å; V168-L195 HydrophobicContact CB-CB 4.35Å; V168-L195 HydrophobicContact CG1-CB 4.11Å; V168-L195 PolarHBondContact O-N 3.31Å; W185-L195 HydrophobicContact CB-CB 4.35Å; M189-L195 HydrophobicContact CG-CD1 4.35Å; A193-L195 HydrophobicContact CB-CD2 4.22Å; A193-L195 VanDerWaalsContact O-CD2 3.24Å; A193-L195 WeakPolarHBondContact O-CD2 3.49Å
196	A	96.4	Very high	87	Confident	15 Å²	15	58.4 Å²	58.4	12%	0.124	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	148.6	173.5	0	0	0	0	0	111	R167 V168 W185 F198	R167-A196 WeakPolarHBondContact CA-O 3.46Å; V168-A196 HydrophobicContact CB-CB 4.18Å; V168-A196 HydrophobicContact CG2-CB 4.24Å; V168-A196 PolarHBondContact N-O 3.28Å; V168-A196 PolarHBondContact O-N 3.21Å; W185-A196 HydrophobicContact CE3-CB 4.02Å; W185-A196 HydrophobicContact CZ3-CB 4.02Å; A196-F198 HydrophobicContact CB-CD2 4.41Å; A196-F198 HydrophobicContact CB-CE2 3.52Å; A196-F198 HydrophobicContact CB-CZ 3.61Å
197	E	95.4	Very high	87.2	Confident	79 Å²	79	57.2 Å²	57.2	37%	0.369	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.9	169.6	178.5	175.7	119.8	0	0	108.5	P140 K165 R167 V194	P140-E197 WeakPolarHBondContact CG-OE2 3.45Å; K165-E197 HydrophobicContact CB-CG 4.43Å; K165-E197 HydrophobicContact CD-CG 4.05Å; K165-E197 WeakPolarHBondContact CE-OE1 3.5Å; K165-E197 HydrophobicContact CG-CG 4.4Å; K165-E197 IonicContact NZ-OE1 2.8Å; K165-E197 PolarHBondContact NZ-OE1 2.93Å; R167-E197 HydrophobicContact CG-CB 4.19Å; R167-E197 HydrophobicContact CG-CG 3.96Å; R167-E197 IonicContact CZ-OE2 3.49Å; R167-E197 IonicContact NE-OE2 2.62Å; R167-E197 PolarHBondContact NE-OE2 3.37Å; R167-E197 IonicContact NH2-OE2 3.25Å; R167-E197 PolarHBondContact NH2-OE2 2.85Å; V194-E197 HydrophobicContact CG1-CB 4.35Å
198	F	94.4	Very high	87.4	Confident	25 Å²	25	54.6 Å²	54.6	11%	0.11	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.4	-179.7	-53.5	-72.8	0	0	0	110.8	K165 C166 W185 A196 W221 V231 P239	K165-F198 VanDerWaalsContact CA-O 3.29Å; K165-F198 WeakPolarHBondContact CA-O 3.41Å; K165-F198 VanDerWaalsContact CD-O 3.29Å; K165-F198 WeakPolarHBondContact CD-O 3.36Å; C166-F198 HydrophobicContact CB-CB 4.46Å; C166-F198 PolarHBondContact N-O 2.84Å; C166-F198 VanDerWaalsContact N-O 3.14Å; C166-F198 PolarHBondContact O-N 2.69Å; W185-F198 AromaticContact CZ3-CE2 3.96Å; W185-F198 HydrophobicContact CZ3-CE2 3.96Å; W185-F198 AromaticContact CZ3-CZ 3.94Å; W185-F198 HydrophobicContact CZ3-CZ 3.94Å; A196-F198 HydrophobicContact CB-CD2 4.41Å; A196-F198 HydrophobicContact CB-CE2 3.52Å; A196-F198 HydrophobicContact CB-CZ 3.61Å; F198-W221 HydrophobicContact CB-CH2 3.64Å; F198-W221 HydrophobicContact CB-CZ2 3.73Å; F198-W221 HydrophobicContact CD1-CH2 4.42Å; F198-W221 HydrophobicContact CD2-CH2 4.05Å; F198-W221 HydrophobicContact CD2-CZ3 4.21Å; F198-W221 AromaticContact CG-CH2 3.79Å; F198-W221 HydrophobicContact CG-CH2 3.79Å; F198-W221 HydrophobicContact CG-CZ2 4.39Å; F198-W221 HydrophobicContact CG-CZ3 4.41Å; F198-V231 HydrophobicContact CD2-CG1 4.42Å; F198-V231 HydrophobicContact CE1-CB 4.43Å; F198-V231 HydrophobicContact CE1-CG1 4.24Å; F198-V231 HydrophobicContact CE1-CG2 3.96Å; F198-V231 HydrophobicContact CE2-CG1 3.74Å; F198-V231 HydrophobicContact CZ-CB 4.27Å; F198-V231 HydrophobicContact CZ-CG1 3.63Å; F198-V231 HydrophobicContact CZ-CG2 3.96Å; F198-P239 HydrophobicContact CD1-CG 3.52Å; F198-P239 HydrophobicContact CE1-CG 3.99Å; F198-P239 HydrophobicContact CG-CG 4.24Å
199	G	86.3	Confident	87.5	Confident	45 Å²	45	47.1 Å²	47.1	46%	0.464	34%	0.337	S	S	.	.			trans	91.2	167.5	-177	0	0	0	0	0	113.1	K165	K165-G199 WeakPolarHBondContact CD-O 3.32Å; K165-G199 WeakPolarHBondContact CE-O 3.31Å; K165-G199 PolarHBondContact NZ-O 3.02Å
200	G	65.8	Low	87.6	Confident	46 Å²	46	46.9 Å²	46.9	47%	0.474	34%	0.336	S	S	.	.			trans	77	92.5	171.6	0	0	0	0	0	117.2
201	A	43.1	Very low	87.7	Confident	108 Å²	108	43.2 Å²	43.2	89%	0.893	31%	0.312	S	S	*	.	S	Bend		-170.6	108.4	118.2	0	0	0	0	0	108
202	G	51.4	Low	87.7	Confident	94 Å²	94	40.1 Å²	40.1	97%	0.969	30%	0.299	S	S	*	.	S	Bend	trans	117	-5.7	173.3	0	0	0	0	0	117.6
203	G	58	Low	87.7	Confident	65 Å²	65	39.1 Å²	39.1	67%	0.67	29%	0.288	S	S	*	.			trans	167	151.9	178.5	0	0	0	0	0	110.3
204	G	77	Confident	87.7	Confident	35 Å²	35	38.5 Å²	38.5	36%	0.361	28%	0.283	S	S	.	.			trans	167.9	150.5	176.9	0	0	0	0	0	113.8	D225	G204-D225 WeakPolarHBondContact CA-OD2 3.2Å
205	G	92.9	Very high	87.6	Confident	7 Å²	7	37.7 Å²	37.7	7%	0.072	28%	0.28	C	S	.	.			trans	-101.9	161.6	171.9	0	0	0	0	0	113.1	F164 V207 D225	F164-G205 VanDerWaalsContact CD1-C 3.5Å; G205-V207 PolarHBondContact O-N 3.4Å; G205-D225 PolarHBondContact N-OD2 2.71Å
206	W	97.7	Very high	87.6	Confident	121 Å²	121	36 Å²	36	46%	0.458	27%	0.272	S	S	.	.			trans	-56.4	133.1	169.9	-57.5	-32.5	0	0	0	109.8	L146 C162 F164 H208 S223 H224	L146-W206 HydrophobicContact CD1-CB 3.88Å; C162-W206 HydrophobicContact CB-CG 4.29Å; F164-W206 AromaticContact CD1-CD1 3.84Å; F164-W206 AromaticContact CE1-CD1 3.41Å; F164-W206 VanDerWaalsContact CE1-CD1 3.41Å; F164-W206 AromaticContact CE1-NE1 3.72Å; W206-H208 PolarHBondContact O-N 3.31Å; W206-S223 CarbonylContact O-C 3.5Å; W206-S223 VanDerWaalsContact O-CA 3.26Å; W206-S223 WeakPolarHBondContact O-CA 3.49Å; W206-H224 HydrophobicContact CB-CB 4.28Å; W206-H224 PolarHBondContact O-N 3.2Å
207	V	98.2	Very high	87.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	99.7	-179.7	-176.8	0	0	0	0	108.9	G160 S161 C166 G205 V210 W221	G160-V207 CarbonylContact C-O 3.57Å; S161-V207 PolarHBondContact O-N 2.87Å; C166-V207 HydrophobicContact CB-CG1 4.41Å; G205-V207 PolarHBondContact O-N 3.4Å; V207-V210 HydrophobicContact CG1-CG1 3.88Å; V207-W221 HydrophobicContact CG1-CB 3.83Å; V207-W221 HydrophobicContact CG1-CG 4.09Å
208	H	98.6	Very high	87.6	Confident	35 Å²	35	34.3 Å²	34.3	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-44.1	-172.7	-73.8	-60.1	0	0	0	112.5	S147 W206 V222 H224 L250	S147-H208 WeakPolarHBondContact CB-O 3.25Å; S147-H208 PolarHBondContact OG-O 3Å; W206-H208 PolarHBondContact O-N 3.31Å; H208-V222 HydrophobicContact CB-CG2 4.5Å; H208-V222 PolarHBondContact N-O 2.93Å; H208-H224 AromaticContact CD2-ND1 3.92Å; H208-H224 AromaticContact CE1-ND1 3.94Å; H208-H224 WeakPolarHBondContact NE2-CB 3.45Å; H208-H224 AromaticContact NE2-CG 3.43Å; H208-H224 AromaticContact NE2-ND1 3Å; H208-H224 PolarHBondContact NE2-ND1 3.24Å; H208-L250 HydrophobicContact CB-CD2 4.46Å; H208-L250 WeakPolarHBondContact CB-O 3.45Å
209	S	98.8	Very high	87.8	Confident	13 Å²	13	33.1 Å²	33.1	9%	0.091	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.4	-177.3	-176.1	0	0	0	0	111.8	S147 W221 V222 L250 V252	S147-S209 VanDerWaalsContact OG-CA 3.25Å; S147-S209 WeakPolarHBondContact OG-CA 3.46Å; S209-W221 WeakPolarHBondContact O-CA 3.29Å; S209-W221 WeakPolarHBondContact O-CB 3.36Å; S209-V222 PolarHBondContact O-N 3.18Å; S209-L250 VanDerWaalsContact CB-O 3.29Å; S209-L250 WeakPolarHBondContact CB-O 3.22Å; S209-V252 PolarHBondContact OG-N 2.89Å; S209-V252 VanDerWaalsContact OG-N 3.15Å; S209-V252 PolarHBondContact OG-O 2.67Å
210	V	98.9	Very high	88.3	Confident	6 Å²	6	31 Å²	31	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.1	175.6	-61.6	0	0	0	0	109.6	S147 D149 A158 V207 L219 A220 W221	S147-V210 PolarHBondContact OG-N 3.03Å; D149-V210 HydrophobicContact CB-CG2 4.1Å; A158-V210 HydrophobicContact CB-CB 4.23Å; A158-V210 HydrophobicContact CB-CG2 3.9Å; V207-V210 HydrophobicContact CG1-CG1 3.88Å; V210-L219 HydrophobicContact CB-CD1 4.38Å; V210-A220 CarbonylContact C-O 3.48Å; V210-A220 VanDerWaalsContact CA-O 3.31Å; V210-A220 WeakPolarHBondContact CA-O 3.38Å; V210-W221 HydrophobicContact CG1-CB 3.89Å
211	S	98.8	Very high	89.9	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	122.4	174.9	-163.5	0	0	0	0	112	D149 A220 F254	D149-S211 VanDerWaalsContact OD2-CA 3.22Å; D149-S211 WeakPolarHBondContact OD2-CA 3.14Å; S211-A220 PolarHBondContact N-O 3.38Å; S211-A220 PolarHBondContact O-N 3.4Å; S211-F254 WeakPolarHBondContact O-CD2 3.43Å; S211-F254 VanDerWaalsContact O-CE2 3.24Å; S211-F254 WeakPolarHBondContact O-CE2 3.31Å; S211-F254 PolarHBondContact OG-N 3.48Å
212	F	98.7	Very high	92.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	145.6	164.3	-84.9	-67.7	0	0	0	110.6	D149 H151 L156 A158 V168 W185 G216 R218 L219 F254 K337	D149-F212 PolarHBondContact OD2-N 3.01Å; H151-F212 HydrophobicContact CB-CD2 3.87Å; H151-F212 HydrophobicContact CB-CE1 4.48Å; H151-F212 HydrophobicContact CB-CE2 3.72Å; H151-F212 HydrophobicContact CB-CG 4.28Å; H151-F212 HydrophobicContact CB-CZ 4.07Å; H151-F212 AromaticContact CD2-CD1 3.94Å; H151-F212 AromaticContact CD2-CE1 3.86Å; L156-F212 HydrophobicContact CB-CZ 4.42Å; A158-F212 HydrophobicContact CB-CD2 3.92Å; A158-F212 HydrophobicContact CB-CE2 3.48Å; A158-F212 VanDerWaalsContact CB-CE2 3.48Å; A158-F212 HydrophobicContact CB-CZ 4.04Å; V168-F212 HydrophobicContact CG1-CZ 3.96Å; V168-F212 HydrophobicContact CG2-CE1 4.45Å; V168-F212 HydrophobicContact CG2-CZ 3.95Å; W185-F212 AromaticContact CE2-CE1 3.76Å; W185-F212 HydrophobicContact CZ2-CD1 4.36Å; W185-F212 AromaticContact CZ2-CE1 3.69Å; W185-F212 HydrophobicContact CZ2-CE1 3.69Å; W185-F212 AromaticContact NE1-CE1 3.75Å; F212-G216 WeakPolarHBondContact CD1-O 3.5Å; F212-R218 CarbonylContact C-O 3.59Å; F212-R218 WeakPolarHBondContact CA-O 3.35Å; F212-R218 WeakPolarHBondContact CD1-O 3.31Å; F212-L219 HydrophobicContact CD1-CB 4.29Å; F212-L219 HydrophobicContact CD1-CD1 4.23Å; F212-L219 HydrophobicContact CD2-CD1 4.49Å; F212-L219 HydrophobicContact CE1-CB 4.24Å; F212-L219 HydrophobicContact CE1-CD1 4.35Å; F212-L219 HydrophobicContact CG-CD1 4.3Å; F212-F254 VanDerWaalsContact C-CD2 3.47Å; F212-K337 VanDerWaalsContact O-CD 3.24Å; F212-K337 WeakPolarHBondContact O-CD 3.32Å; F212-K337 WeakPolarHBondContact O-CE 3.27Å; F212-K337 PolarHBondContact O-NZ 3.24Å
213	S	97.9	Very high	94.7	Very high	1 Å²	1	20 Å²	20	1%	0.007	13%	0.128	C	C	.	.			trans	-68.8	174.1	167.4	71.4	0	0	0	0	111.5	S215 G216 R218 F254 E257	S213-S215 PolarHBondContact OG-OG 3.08Å; S213-G216 PolarHBondContact O-N 3.2Å; S213-G216 PolarHBondContact OG-N 3.28Å; S213-R218 PolarHBondContact N-O 2.82Å; S213-R218 PolarHBondContact OG-N 3.26Å; S213-F254 VanDerWaalsContact CA-CD2 3.49Å; S213-F254 VanDerWaalsContact N-CD2 3.35Å; S213-E257 VanDerWaalsContact CB-OE1 3.28Å; S213-E257 WeakPolarHBondContact CB-OE1 3.3Å; S213-E257 WeakPolarHBondContact CB-OE2 3.28Å; S213-E257 PolarHBondContact OG-OE1 2.98Å; S213-E257 PolarHBondContact OG-OE2 2.85Å
214	A	97.6	Very high	96.6	Very high	12 Å²	12	20.5 Å²	20.5	10%	0.099	11%	0.112	C	C	.	.	S	Bend	trans	-72.4	-30.8	-175.9	0	0	0	0	0	113.6	G216 E257 K337 R338	A214-G216 VanDerWaalsContact C-N 3.26Å; A214-E257 PolarHBondContact N-OE2 2.82Å; A214-E257 VanDerWaalsContact N-OE2 3.14Å; A214-K337 HydrophobicContact CB-CB 3.68Å; A214-R338 HydrophobicContact CB-CB 4.2Å; A214-R338 HydrophobicContact CB-CG 3.23Å
215	S	96.9	Very high	97.5	Very high	46 Å²	46	20.8 Å²	20.8	32%	0.322	11%	0.105	S	C	.	.	S	Bend	trans	-71.2	-27.5	168.2	74.5	0	0	0	0	111.7	P152 S213 N217 E257	P152-S215 WeakPolarHBondContact CG-O 3.34Å; S213-S215 PolarHBondContact OG-OG 3.08Å; S215-N217 VanDerWaalsContact C-N 3.27Å; S215-N217 WeakPolarHBondContact OG-CB 3.41Å; S215-N217 PolarHBondContact OG-N 3.12Å; S215-E257 WeakPolarHBondContact CB-OE1 3.36Å; S215-E257 PolarHBondContact N-OE2 3.26Å; S215-E257 VanDerWaalsContact N-OE2 3.1Å; S215-E257 PolarHBondContact OG-OE1 2.87Å
216	G	97.3	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	83.8	-3.5	-171.6	0	0	0	0	0	113.8	H151 W185 F212 S213 A214 R218	H151-G216 VanDerWaalsContact CD2-CA 3.47Å; H151-G216 WeakPolarHBondContact CD2-CA 3.03Å; H151-G216 PolarHBondContact CD2-O 3.06Å; H151-G216 WeakPolarHBondContact NE2-CA 3.34Å; H151-G216 PolarHBondContact NE2-O 3.49Å; W185-G216 PolarHBondContact NE1-O 2.85Å; F212-G216 WeakPolarHBondContact CD1-O 3.5Å; S213-G216 PolarHBondContact O-N 3.2Å; S213-G216 PolarHBondContact OG-N 3.28Å; A214-G216 VanDerWaalsContact C-N 3.26Å; G216-R218 VanDerWaalsContact C-N 3.31Å; G216-R218 PolarHBondContact O-N 3.1Å
217	N	95.7	Very high	97.7	Very high	47 Å²	47	15.6 Å²	15.6	25%	0.251	9%	0.086	S	C	.	.	S	Bend	trans	-72.8	-26.2	179.8	-65.1	-17.3	0	0	0	112.6	W185 S215 S233	W185-N217 WeakPolarHBondContact CZ2-O 3.41Å; S215-N217 VanDerWaalsContact C-N 3.27Å; S215-N217 WeakPolarHBondContact OG-CB 3.41Å; S215-N217 PolarHBondContact OG-N 3.12Å; N217-S233 PolarHBondContact O-N 3.32Å; N217-S233 PolarHBondContact O-OG 2.82Å
218	R	95.9	Very high	97.6	Very high	11 Å²	11	15.6 Å²	15.6	4%	0.042	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.6	178.6	-54	-173	174.5	-171.3	15.5	111.7	F212 S213 G216 V230 V231 D232 F254 N258 C274	F212-R218 CarbonylContact C-O 3.59Å; F212-R218 WeakPolarHBondContact CA-O 3.35Å; F212-R218 WeakPolarHBondContact CD1-O 3.31Å; S213-R218 PolarHBondContact N-O 2.82Å; S213-R218 PolarHBondContact OG-N 3.26Å; G216-R218 VanDerWaalsContact C-N 3.31Å; G216-R218 PolarHBondContact O-N 3.1Å; R218-V230 HydrophobicContact CB-CG1 4.47Å; R218-V231 CarbonylContact C-O 3.59Å; R218-V231 WeakPolarHBondContact CA-O 3.24Å; R218-D232 HydrophobicContact CG-CB 3.89Å; R218-D232 IonicContact CZ-OD2 3.36Å; R218-D232 IonicContact NE-OD2 3.52Å; R218-D232 PolarHBondContact NE-OD2 3.04Å; R218-D232 IonicContact NH2-OD2 2.86Å; R218-D232 PolarHBondContact NH2-OD2 2.86Å; R218-F254 HydrophobicContact CB-CE1 4.49Å; R218-F254 HydrophobicContact CB-CE2 4.39Å; R218-F254 HydrophobicContact CB-CZ 3.79Å; R218-N258 VanDerWaalsContact CZ-OD1 3.3Å; R218-N258 PolarHBondContact NH1-OD1 2.94Å; R218-N258 PolarHBondContact NH2-OD1 2.76Å; R218-C274 PolarHBondContact NH1-SG 2.84Å
219	L	97.7	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.9	173	177.7	61	0	0	0	109	A158 V168 W185 V210 F212 W221 V230 V231	A158-L219 HydrophobicContact CB-CD1 3.55Å; A158-L219 HydrophobicContact CB-CD2 4.14Å; V168-L219 HydrophobicContact CG2-CD2 3.52Å; W185-L219 HydrophobicContact CH2-CB 3.66Å; W185-L219 HydrophobicContact CH2-CD2 4.35Å; W185-L219 HydrophobicContact CZ2-CB 3.92Å; V210-L219 HydrophobicContact CB-CD1 4.38Å; F212-L219 HydrophobicContact CD1-CB 4.29Å; F212-L219 HydrophobicContact CD1-CD1 4.23Å; F212-L219 HydrophobicContact CD2-CD1 4.49Å; F212-L219 HydrophobicContact CE1-CB 4.24Å; F212-L219 HydrophobicContact CE1-CD1 4.35Å; F212-L219 HydrophobicContact CG-CD1 4.3Å; L219-W221 HydrophobicContact CG-CE3 4.41Å; L219-V230 CarbonylContact O-C 3.54Å; L219-V230 WeakPolarHBondContact O-CA 3.42Å; L219-V231 HydrophobicContact CB-CG1 4.08Å; L219-V231 PolarHBondContact N-O 2.84Å; L219-V231 PolarHBondContact O-N 2.86Å
220	A	98	Very high	97.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.6	174.2	0	0	0	0	0	110.7	V210 S211 T229 V230 F254 L260	V210-A220 CarbonylContact C-O 3.48Å; V210-A220 VanDerWaalsContact CA-O 3.31Å; V210-A220 WeakPolarHBondContact CA-O 3.38Å; S211-A220 PolarHBondContact N-O 3.38Å; S211-A220 PolarHBondContact O-N 3.4Å; A220-T229 CarbonylContact C-O 3.54Å; A220-T229 WeakPolarHBondContact CA-O 3.37Å; A220-V230 HydrophobicContact CB-CG2 3.9Å; A220-F254 HydrophobicContact CB-CD2 4.22Å; A220-F254 HydrophobicContact CB-CE2 3.49Å; A220-F254 VanDerWaalsContact CB-CE2 3.49Å; A220-F254 HydrophobicContact CB-CZ 3.89Å; A220-L260 HydrophobicContact CB-CD1 3.85Å; A220-L260 HydrophobicContact CB-CD2 3.5Å; A220-L260 VanDerWaalsContact CB-CD2 3.5Å; A220-L260 HydrophobicContact CB-CG 4.35Å
221	W	98.5	Very high	97.3	Very high	12 Å²	12	13.3 Å²	13.3	5%	0.045	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.8	169.2	68.3	94.9	0	0	0	112.4	C166 F198 V207 S209 V210 L219 T229 V231 P239	C166-W221 HydrophobicContact CB-CB 4.48Å; C166-W221 HydrophobicContact CB-CD2 3.75Å; C166-W221 HydrophobicContact CB-CE3 4.17Å; C166-W221 HydrophobicContact CB-CG 3.92Å; C166-W221 HydrophobicContact CB-CZ2 4.43Å; F198-W221 HydrophobicContact CB-CH2 3.64Å; F198-W221 HydrophobicContact CB-CZ2 3.73Å; F198-W221 HydrophobicContact CD1-CH2 4.42Å; F198-W221 HydrophobicContact CD2-CH2 4.05Å; F198-W221 HydrophobicContact CD2-CZ3 4.21Å; F198-W221 AromaticContact CG-CH2 3.79Å; F198-W221 HydrophobicContact CG-CH2 3.79Å; F198-W221 HydrophobicContact CG-CZ2 4.39Å; F198-W221 HydrophobicContact CG-CZ3 4.41Å; V207-W221 HydrophobicContact CG1-CB 3.83Å; V207-W221 HydrophobicContact CG1-CG 4.09Å; S209-W221 WeakPolarHBondContact O-CA 3.29Å; S209-W221 WeakPolarHBondContact O-CB 3.36Å; V210-W221 HydrophobicContact CG1-CB 3.89Å; L219-W221 HydrophobicContact CG-CE3 4.41Å; W221-T229 HydrophobicContact CD2-CG2 4.35Å; W221-T229 VanDerWaalsContact CE2-CB 3.41Å; W221-T229 HydrophobicContact CE3-CG2 4.43Å; W221-T229 HydrophobicContact CH2-CG2 3.36Å; W221-T229 HydrophobicContact CZ2-CG2 3.22Å; W221-T229 HydrophobicContact CZ3-CG2 3.97Å; W221-T229 PolarHBondContact N-O 3.26Å; W221-T229 PolarHBondContact O-N 3.29Å; W221-V231 HydrophobicContact CZ3-CB 4.36Å; W221-V231 HydrophobicContact CZ3-CG1 3.94Å; W221-P239 HydrophobicContact CH2-CB 3.79Å; W221-P239 HydrophobicContact CH2-CG 3.96Å; W221-P239 HydrophobicContact CZ2-CB 4.4Å
222	V	98.5	Very high	97.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.8	173.9	-65.8	0	0	0	0	110.8	H208 S209 T227 V228 L249 V252 A262	H208-V222 HydrophobicContact CB-CG2 4.5Å; H208-V222 PolarHBondContact N-O 2.93Å; S209-V222 PolarHBondContact O-N 3.18Å; V222-T227 WeakPolarHBondContact CA-O 3.12Å; V222-V228 HydrophobicContact CG1-CB 4.35Å; V222-V228 HydrophobicContact CG1-CG1 4.05Å; V222-V228 HydrophobicContact CG1-CG2 4Å; V222-L249 HydrophobicContact CB-CB 3.86Å; V222-L249 HydrophobicContact CG1-CB 3.9Å; V222-L249 HydrophobicContact CG1-CD1 4.11Å; V222-L249 HydrophobicContact CG2-CB 4.13Å; V222-V252 HydrophobicContact CG1-CB 3.78Å; V222-V252 HydrophobicContact CG1-CG1 4.03Å; V222-V252 HydrophobicContact CG1-CG2 4.24Å; V222-V252 HydrophobicContact CG2-CB 4.21Å; V222-V252 HydrophobicContact CG2-CG1 4.05Å; V222-A262 HydrophobicContact CG1-CB 4.23Å
223	S	97.8	Very high	96.8	Very high	6 Å²	6	14.7 Å²	14.7	4%	0.042	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.9	-174.1	-65.4	0	0	0	0	111.9	W206 D225 S226 T227	W206-S223 CarbonylContact O-C 3.5Å; W206-S223 VanDerWaalsContact O-CA 3.26Å; W206-S223 WeakPolarHBondContact O-CA 3.49Å; S223-D225 WeakPolarHBondContact CB-OD1 3.47Å; S223-D225 PolarHBondContact O-N 2.68Å; S223-S226 PolarHBondContact O-N 3.17Å; S223-T227 PolarHBondContact N-O 3.08Å; S223-T227 VanDerWaalsContact N-O 3.12Å
224	H	97.6	Very high	96.4	Very high	75 Å²	75	17.6 Å²	17.6	35%	0.347	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.7	-178.4	-157.4	60.2	0	0	0	114.7	W206 H208 S226 P248	W206-H224 HydrophobicContact CB-CB 4.28Å; W206-H224 PolarHBondContact O-N 3.2Å; H208-H224 AromaticContact CD2-ND1 3.92Å; H208-H224 AromaticContact CE1-ND1 3.94Å; H208-H224 WeakPolarHBondContact NE2-CB 3.45Å; H208-H224 AromaticContact NE2-CG 3.43Å; H208-H224 AromaticContact NE2-ND1 3Å; H208-H224 PolarHBondContact NE2-ND1 3.24Å; H224-S226 PolarHBondContact O-N 2.99Å; H224-P248 WeakPolarHBondContact O-CG 3.46Å
225	D	95.8	Very high	95.4	Very high	41 Å²	41	22 Å²	22	22%	0.219	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	24.8	173.9	60.6	4	0	0	0	112.1	G204 G205 S223 T227 K243	G204-D225 WeakPolarHBondContact CA-OD2 3.2Å; G205-D225 PolarHBondContact N-OD2 2.71Å; S223-D225 WeakPolarHBondContact CB-OD1 3.47Å; S223-D225 PolarHBondContact O-N 2.68Å; D225-T227 VanDerWaalsContact C-N 3.3Å; D225-T227 PolarHBondContact O-N 2.73Å; D225-T227 WeakPolarHBondContact OD1-CB 3.24Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.42Å; D225-T227 PolarHBondContact OD1-N 2.86Å; D225-T227 PolarHBondContact OD1-OG1 2.87Å; D225-K243 VanDerWaalsContact O-CE 3.28Å; D225-K243 WeakPolarHBondContact O-CE 3.4Å; D225-K243 PolarHBondContact O-NZ 2.8Å
226	S	97.2	Very high	94	Very high	16 Å²	16	23.1 Å²	23.1	11%	0.112	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	43	-179.5	-61.5	0	0	0	0	113.1	S223 H224 T244 F246	S223-S226 PolarHBondContact O-N 3.17Å; H224-S226 PolarHBondContact O-N 2.99Å; S226-T244 PolarHBondContact O-N 3.41Å; S226-T244 PolarHBondContact O-OG1 2.91Å; S226-F246 VanDerWaalsContact CB-O 3.26Å; S226-F246 WeakPolarHBondContact CB-O 3.36Å; S226-F246 PolarHBondContact OG-O 2.87Å
227	T	96.9	Very high	92.7	Very high	3 Å²	3	27 Å²	27	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.7	173.5	63.3	0	0	0	0	111.7	V222 S223 D225 Q241 Q242 K243	V222-T227 WeakPolarHBondContact CA-O 3.12Å; S223-T227 PolarHBondContact N-O 3.08Å; S223-T227 VanDerWaalsContact N-O 3.12Å; D225-T227 VanDerWaalsContact C-N 3.3Å; D225-T227 PolarHBondContact O-N 2.73Å; D225-T227 WeakPolarHBondContact OD1-CB 3.24Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.42Å; D225-T227 PolarHBondContact OD1-N 2.86Å; D225-T227 PolarHBondContact OD1-OG1 2.87Å; T227-Q241 HydrophobicContact CG2-CG 4.09Å; T227-Q242 WeakPolarHBondContact CA-O 3.47Å; T227-K243 HydrophobicContact CG2-CB 4.39Å; T227-K243 HydrophobicContact CG2-CD 3.64Å
228	V	97.6	Very high	92.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.7	163.6	-168.2	0	0	0	0	107	V222 Q242 T244 L249 L260 F272 L280	V222-V228 HydrophobicContact CG1-CB 4.35Å; V222-V228 HydrophobicContact CG1-CG1 4.05Å; V222-V228 HydrophobicContact CG1-CG2 4Å; V228-Q242 PolarHBondContact N-O 3.04Å; V228-Q242 PolarHBondContact O-N 2.95Å; V228-T244 HydrophobicContact CG2-CG2 4.42Å; V228-L249 HydrophobicContact CG2-CD1 3.36Å; V228-L260 HydrophobicContact CG1-CD1 4.4Å; V228-F272 HydrophobicContact CB-CD1 4.42Å; V228-F272 HydrophobicContact CB-CE1 4.32Å; V228-F272 HydrophobicContact CG2-CD1 4.17Å; V228-F272 HydrophobicContact CG2-CD2 4.33Å; V228-F272 HydrophobicContact CG2-CE1 3.68Å; V228-F272 HydrophobicContact CG2-CE2 3.87Å; V228-F272 HydrophobicContact CG2-CG 4.48Å; V228-F272 HydrophobicContact CG2-CZ 3.53Å; V228-L280 HydrophobicContact CB-CD2 3.86Å; V228-L280 HydrophobicContact CG1-CD2 3.77Å; V228-L280 VanDerWaalsContact O-CD2 3.3Å; V228-L280 WeakPolarHBondContact O-CD2 3.39Å
229	T	96.9	Very high	92.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.9	-178.9	-47.3	0	0	0	0	110.3	A220 W221 P239 S240 Q241	A220-T229 CarbonylContact C-O 3.54Å; A220-T229 WeakPolarHBondContact CA-O 3.37Å; W221-T229 HydrophobicContact CD2-CG2 4.35Å; W221-T229 VanDerWaalsContact CE2-CB 3.41Å; W221-T229 HydrophobicContact CE3-CG2 4.43Å; W221-T229 HydrophobicContact CH2-CG2 3.36Å; W221-T229 HydrophobicContact CZ2-CG2 3.22Å; W221-T229 HydrophobicContact CZ3-CG2 3.97Å; W221-T229 PolarHBondContact N-O 3.26Å; W221-T229 PolarHBondContact O-N 3.29Å; T229-P239 HydrophobicContact CG2-CB 3.49Å; T229-P239 VanDerWaalsContact CG2-CB 3.49Å; T229-S240 CarbonylContact C-O 3.56Å; T229-S240 WeakPolarHBondContact CA-O 3.37Å; T229-S240 WeakPolarHBondContact CG2-O 3.35Å; T229-Q241 HydrophobicContact CG2-CB 4.06Å; T229-Q241 PolarHBondContact OG1-NE2 2.87Å
230	V	96.3	Very high	91.9	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142	173.5	176.5	0	0	0	0	109.3	R218 L219 A220 P239 S240 F254 L260 L280	R218-V230 HydrophobicContact CB-CG1 4.47Å; L219-V230 CarbonylContact O-C 3.54Å; L219-V230 WeakPolarHBondContact O-CA 3.42Å; A220-V230 HydrophobicContact CB-CG2 3.9Å; V230-P239 CarbonylContact O-C 3.38Å; V230-P239 WeakPolarHBondContact O-CA 3.16Å; V230-S240 PolarHBondContact N-O 3.13Å; V230-S240 PolarHBondContact O-N 2.95Å; V230-F254 HydrophobicContact CG1-CZ 4.35Å; V230-L260 HydrophobicContact CG2-CD1 3.43Å; V230-L260 VanDerWaalsContact CG2-CD1 3.43Å; V230-L280 HydrophobicContact CG2-CD1 3.86Å; V230-L280 HydrophobicContact CG2-CD2 4.06Å; V230-L280 HydrophobicContact CG2-CG 4.45Å
231	V	95.3	Very high	91.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141	168.3	67.1	0	0	0	0	109.5	W185 F198 R218 L219 W221 P239	W185-V231 HydrophobicContact CH2-CG1 3.76Å; W185-V231 HydrophobicContact CZ3-CG1 4.27Å; F198-V231 HydrophobicContact CD2-CG1 4.42Å; F198-V231 HydrophobicContact CE1-CB 4.43Å; F198-V231 HydrophobicContact CE1-CG1 4.24Å; F198-V231 HydrophobicContact CE1-CG2 3.96Å; F198-V231 HydrophobicContact CE2-CG1 3.74Å; F198-V231 HydrophobicContact CZ-CB 4.27Å; F198-V231 HydrophobicContact CZ-CG1 3.63Å; F198-V231 HydrophobicContact CZ-CG2 3.96Å; R218-V231 CarbonylContact C-O 3.59Å; R218-V231 WeakPolarHBondContact CA-O 3.24Å; L219-V231 HydrophobicContact CB-CG1 4.08Å; L219-V231 PolarHBondContact N-O 2.84Å; L219-V231 PolarHBondContact O-N 2.86Å; W221-V231 HydrophobicContact CZ3-CB 4.36Å; W221-V231 HydrophobicContact CZ3-CG1 3.94Å; V231-P239 HydrophobicContact CB-CB 4.19Å; V231-P239 HydrophobicContact CB-CG 4.25Å; V231-P239 HydrophobicContact CG2-CG 4.25Å
232	D	94.3	Very high	91.6	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	102.2	176.7	-171.5	-20.8	0	0	0	109.9	R218 S234 K235 T236	R218-D232 HydrophobicContact CG-CB 3.89Å; R218-D232 IonicContact CZ-OD2 3.36Å; R218-D232 IonicContact NE-OD2 3.52Å; R218-D232 PolarHBondContact NE-OD2 3.04Å; R218-D232 IonicContact NH2-OD2 2.86Å; R218-D232 PolarHBondContact NH2-OD2 2.86Å; D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 VanDerWaalsContact O-N 3.1Å; D232-S234 WeakPolarHBondContact OD1-CB 3.49Å; D232-S234 PolarHBondContact OD1-N 3.15Å; D232-S234 PolarHBondContact OD1-OG 3.28Å; D232-K235 PolarHBondContact O-N 3.28Å; D232-T236 CarbonylContact O-C 3.47Å; D232-T236 PolarHBondContact O-N 3.23Å
233	S	92.6	Very high	91.5	Very high	23 Å²	23	46.1 Å²	46.1	16%	0.161	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.8	-178.7	60.2	0	0	0	0	114.2	P184 W185 N217	P184-S233 WeakPolarHBondContact CB-O 3.37Å; P184-S233 WeakPolarHBondContact CB-OG 3.39Å; W185-S233 PolarHBondContact NE1-OG 3.09Å; N217-S233 PolarHBondContact O-N 3.32Å; N217-S233 PolarHBondContact O-OG 2.82Å
234	S	89	Confident	91.3	Very high	63 Å²	63	46.5 Å²	46.5	44%	0.441	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-18.9	178.2	72.2	0	0	0	0	114.4	D232	D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 VanDerWaalsContact O-N 3.1Å; D232-S234 WeakPolarHBondContact OD1-CB 3.49Å; D232-S234 PolarHBondContact OD1-N 3.15Å; D232-S234 PolarHBondContact OD1-OG 3.28Å
235	K	78.4	Confident	91.3	Very high	104 Å²	104	51.4 Å²	51.4	45%	0.452	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-68.7	-174.9	-64.5	177	-177.2	174.3	0	111.7	D232 D276	D232-K235 PolarHBondContact O-N 3.28Å; K235-D276 PolarHBondContact NZ-O 2.86Å
236	T	65.9	Low	91.4	Very high	69 Å²	69	50.9 Å²	50.9	42%	0.423	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.5	-174.7	54.9	0	0	0	0	108.6	D232 S238	D232-T236 CarbonylContact O-C 3.47Å; D232-T236 PolarHBondContact O-N 3.23Å; T236-S238 PolarHBondContact O-N 3.32Å
237	A	70.6	Confident	91.4	Very high	83 Å²	83	54.9 Å²	54.9	69%	0.686	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	3.4	176	0	0	0	0	0	113.2	P239	A237-P239 WeakPolarHBondContact O-CD 3.5Å
238	S	87.3	Confident	91.5	Very high	79 Å²	79	55.6 Å²	55.6	55%	0.552	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.2	176.8	56	0	0	0	0	110.7	T236	T236-S238 PolarHBondContact O-N 3.32Å
239	P	92.8	Very high	91.5	Very high	56 Å²	56	55.7 Å²	55.7	36%	0.364	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.6	176.2	-19	32.2	0	0	0	112.6	F198 W221 T229 V230 V231 A237	F198-P239 HydrophobicContact CD1-CG 3.52Å; F198-P239 HydrophobicContact CE1-CG 3.99Å; F198-P239 HydrophobicContact CG-CG 4.24Å; W221-P239 HydrophobicContact CH2-CB 3.79Å; W221-P239 HydrophobicContact CH2-CG 3.96Å; W221-P239 HydrophobicContact CZ2-CB 4.4Å; T229-P239 HydrophobicContact CG2-CB 3.49Å; T229-P239 VanDerWaalsContact CG2-CB 3.49Å; V230-P239 CarbonylContact O-C 3.38Å; V230-P239 WeakPolarHBondContact O-CA 3.16Å; V231-P239 HydrophobicContact CB-CB 4.19Å; V231-P239 HydrophobicContact CB-CG 4.25Å; V231-P239 HydrophobicContact CG2-CG 4.25Å; A237-P239 WeakPolarHBondContact O-CD 3.5Å
240	S	93.8	Very high	91.6	Very high	32 Å²	32	57 Å²	57	22%	0.224	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.1	165.4	-174.6	0	0	0	0	109.4	T229 V230 G278 L280	T229-S240 CarbonylContact C-O 3.56Å; T229-S240 WeakPolarHBondContact CA-O 3.37Å; T229-S240 WeakPolarHBondContact CG2-O 3.35Å; V230-S240 PolarHBondContact N-O 3.13Å; V230-S240 PolarHBondContact O-N 2.95Å; S240-G278 WeakPolarHBondContact CB-O 3.43Å; S240-L280 PolarHBondContact OG-N 3.1Å
241	Q	94.1	Very high	91.7	Very high	117 Å²	117	57.2 Å²	57.2	55%	0.547	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131	-177.8	179.7	174.7	82.5	0	0	110.8	T227 T229	T227-Q241 HydrophobicContact CG2-CG 4.09Å; T229-Q241 HydrophobicContact CG2-CB 4.06Å; T229-Q241 PolarHBondContact OG1-NE2 2.87Å
242	Q	95.1	Very high	91.9	Very high	65 Å²	65	57.3 Å²	57.3	30%	0.304	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.7	170.6	-179.7	63.1	54.3	0	0	109.1	T227 V228 F272 L280	T227-Q242 WeakPolarHBondContact CA-O 3.47Å; V228-Q242 PolarHBondContact N-O 3.04Å; V228-Q242 PolarHBondContact O-N 2.95Å; Q242-F272 HydrophobicContact CG-CE1 4.4Å; Q242-L280 HydrophobicContact CB-CD2 3.94Å; Q242-L280 HydrophobicContact CB-CG 4.2Å; Q242-L280 PolarHBondContact OE1-O 2.65Å
243	K	95.5	Very high	92.1	Very high	121 Å²	121	58 Å²	58	53%	0.526	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130.2	165.6	-177.3	75.6	-178.7	-158.5	0	108.7	D225 T227	D225-K243 VanDerWaalsContact O-CE 3.28Å; D225-K243 WeakPolarHBondContact O-CE 3.4Å; D225-K243 PolarHBondContact O-NZ 2.8Å; T227-K243 HydrophobicContact CG2-CB 4.39Å; T227-K243 HydrophobicContact CG2-CD 3.64Å
244	T	95.4	Very high	92.4	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.086	31%	0.312	C	S	.	.			trans	-100.9	154	178.2	66.5	0	0	0	0	111	S226 V228 F246 F272	S226-T244 PolarHBondContact O-N 3.41Å; S226-T244 PolarHBondContact O-OG1 2.91Å; V228-T244 HydrophobicContact CG2-CG2 4.42Å; T244-F246 HydrophobicContact CG2-CD2 4.33Å; T244-F272 HydrophobicContact CG2-CE1 3.88Å; T244-F272 HydrophobicContact CG2-CZ 3.91Å
245	E	96.6	Very high	92.8	Very high	179 Å²	179	53.9 Å²	53.9	84%	0.836	29%	0.292	S	S	*	.	S	Bend	trans	-76.7	-12.2	167	64.6	-175.2	164.6	0	0	112.9
246	F	97	Very high	93.7	Very high	30 Å²	30	49.7 Å²	49.7	13%	0.132	28%	0.276	C	S	.	.	S	Bend	trans	-78.3	166.6	-178.7	-50.4	-53.2	0	0	0	113.1	S226 T244 D266 M270 F282 K285	S226-F246 VanDerWaalsContact CB-O 3.26Å; S226-F246 WeakPolarHBondContact CB-O 3.36Å; S226-F246 PolarHBondContact OG-O 2.87Å; T244-F246 HydrophobicContact CG2-CD2 4.33Å; F246-D266 WeakPolarHBondContact CB-OD2 3.41Å; F246-M270 HydrophobicContact CB-CE 3.67Å; F246-M270 HydrophobicContact CB-SD 4.28Å; F246-M270 HydrophobicContact CD1-CE 4.13Å; F246-M270 HydrophobicContact CD2-CE 3.69Å; F246-M270 HydrophobicContact CD2-SD 3.42Å; F246-M270 WeakPolarHBondContact CD2-SD 3.47Å; F246-M270 HydrophobicContact CE2-CE 4.42Å; F246-M270 HydrophobicContact CE2-SD 3.99Å; F246-M270 HydrophobicContact CG-CE 3.53Å; F246-M270 HydrophobicContact CG-SD 3.95Å; F246-F282 HydrophobicContact CE2-CD1 4.49Å; F246-F282 AromaticContact CE2-CD2 3.98Å; F246-F282 HydrophobicContact CE2-CD2 3.98Å; F246-F282 HydrophobicContact CE2-CE1 4.15Å; F246-F282 AromaticContact CE2-CE2 3.6Å; F246-F282 HydrophobicContact CE2-CE2 3.6Å; F246-F282 HydrophobicContact CE2-CG 4.4Å; F246-F282 AromaticContact CE2-CZ 3.68Å; F246-F282 HydrophobicContact CE2-CZ 3.68Å; F246-F282 HydrophobicContact CZ-CE1 4.15Å; F246-F282 HydrophobicContact CZ-CE2 4.21Å; F246-F282 AromaticContact CZ-CZ 3.82Å; F246-F282 HydrophobicContact CZ-CZ 3.82Å; F246-K285 VanDerWaalsContact CE1-CE 3.43Å
247	L	98	Very high	95	Very high	100 Å²	100	49 Å²	49	52%	0.524	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-66.8	164.4	172.1	-61	177	0	0	0	111	L249 H265 D266	L247-L249 PolarHBondContact O-N 3.28Å; L247-H265 HydrophobicContact CB-CB 3.67Å; L247-H265 HydrophobicContact CD1-CB 4.01Å; L247-D266 WeakPolarHBondContact CA-OD2 3.29Å; L247-D266 VanDerWaalsContact CB-OD2 3.27Å; L247-D266 WeakPolarHBondContact CB-OD2 3.39Å; L247-D266 PolarHBondContact N-OD2 2.92Å
248	P	98.4	Very high	96.2	Very high	17 Å²	17	47.4 Å²	47.4	11%	0.11	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.4	141.1	-173.2	-23.5	32.9	0	0	0	113.8	H224 H265	H224-P248 WeakPolarHBondContact O-CG 3.46Å; P248-H265 PolarHBondContact O-CD2 2.58Å; P248-H265 VanDerWaalsContact O-CD2 3.31Å; P248-H265 PolarHBondContact O-N 2.73Å
249	L	98.6	Very high	96.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.1	175.2	-63.3	163.7	0	0	0	109.5	V222 V228 L247 A262 M270 F272	V222-L249 HydrophobicContact CB-CB 3.86Å; V222-L249 HydrophobicContact CG1-CB 3.9Å; V222-L249 HydrophobicContact CG1-CD1 4.11Å; V222-L249 HydrophobicContact CG2-CB 4.13Å; V228-L249 HydrophobicContact CG2-CD1 3.36Å; L247-L249 PolarHBondContact O-N 3.28Å; L249-A262 HydrophobicContact CB-CB 4.45Å; L249-A262 HydrophobicContact CD1-CB 3.8Å; L249-A262 HydrophobicContact CD2-CB 4.12Å; L249-A262 HydrophobicContact CG-CB 4.35Å; L249-M270 HydrophobicContact CD2-SD 4.02Å; L249-F272 HydrophobicContact CD1-CE2 4.06Å; L249-F272 HydrophobicContact CD1-CZ 4.03Å
250	L	98.8	Very high	96.9	Very high	28 Å²	28	41 Å²	41	15%	0.147	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-28.4	-175.1	-62.1	-179.5	0	0	0	112.5	H208 S209 A263 T328	H208-L250 HydrophobicContact CB-CD2 4.46Å; H208-L250 WeakPolarHBondContact CB-O 3.45Å; S209-L250 VanDerWaalsContact CB-O 3.29Å; S209-L250 WeakPolarHBondContact CB-O 3.22Å; L250-A263 PolarHBondContact N-O 2.95Å; L250-T328 HydrophobicContact CD1-CG2 4.46Å
251	S	98.8	Very high	97.1	Very high	8 Å²	8	39.5 Å²	39.5	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.9	-178.2	-173.6	0	0	0	0	111.2	A262 A263 V330	S251-A262 CarbonylContact O-C 3.24Å; S251-A262 WeakPolarHBondContact O-CA 3.39Å; S251-A263 PolarHBondContact N-O 3.1Å; S251-A263 PolarHBondContact O-N 3.42Å; S251-V330 PolarHBondContact OG-N 3.31Å
252	V	98.8	Very high	97.3	Very high	5 Å²	5	34 Å²	34	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.8	178.3	65	0	0	0	0	110.7	S209 V222 L260 V261 A262	S209-V252 PolarHBondContact OG-N 2.89Å; S209-V252 VanDerWaalsContact OG-N 3.15Å; S209-V252 PolarHBondContact OG-O 2.67Å; V222-V252 HydrophobicContact CG1-CB 3.78Å; V222-V252 HydrophobicContact CG1-CG1 4.03Å; V222-V252 HydrophobicContact CG1-CG2 4.24Å; V222-V252 HydrophobicContact CG2-CB 4.21Å; V222-V252 HydrophobicContact CG2-CG1 4.05Å; V252-L260 HydrophobicContact CG2-CB 4.34Å; V252-L260 HydrophobicContact CG2-CD2 4.07Å; V252-V261 WeakPolarHBondContact CA-O 3.49Å; V252-A262 HydrophobicContact CB-CB 4.1Å; V252-A262 HydrophobicContact CG2-CB 4.02Å
253	I	98.8	Very high	97.5	Very high	22 Å²	22	30.9 Å²	30.9	11%	0.113	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.3	174.3	-167.5	158.6	0	0	0	111.3	V255 L260 V261 V330 I332	I253-V255 HydrophobicContact CG2-CG1 4.15Å; I253-L260 WeakPolarHBondContact O-CA 3.48Å; I253-V261 PolarHBondContact N-O 3.03Å; I253-V261 PolarHBondContact O-N 2.77Å; I253-V330 HydrophobicContact CG2-CB 4.28Å; I253-V330 HydrophobicContact CG2-CG1 3.66Å; I253-I332 HydrophobicContact CD1-CD1 3.84Å; I253-I332 HydrophobicContact CD1-CG1 3.76Å; I253-I332 HydrophobicContact CG1-CD1 4.27Å; I253-I332 HydrophobicContact CG1-CG1 4.37Å
254	F	98.4	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.6	164.9	-81.7	-82.8	0	0	0	110.7	S211 F212 S213 R218 A220 V230 S256 L260 K337	S211-F254 WeakPolarHBondContact O-CD2 3.43Å; S211-F254 VanDerWaalsContact O-CE2 3.24Å; S211-F254 WeakPolarHBondContact O-CE2 3.31Å; S211-F254 PolarHBondContact OG-N 3.48Å; F212-F254 VanDerWaalsContact C-CD2 3.47Å; S213-F254 VanDerWaalsContact CA-CD2 3.49Å; S213-F254 VanDerWaalsContact N-CD2 3.35Å; R218-F254 HydrophobicContact CB-CE1 4.49Å; R218-F254 HydrophobicContact CB-CE2 4.39Å; R218-F254 HydrophobicContact CB-CZ 3.79Å; A220-F254 HydrophobicContact CB-CD2 4.22Å; A220-F254 HydrophobicContact CB-CE2 3.49Å; A220-F254 VanDerWaalsContact CB-CE2 3.49Å; A220-F254 HydrophobicContact CB-CZ 3.89Å; V230-F254 HydrophobicContact CG1-CZ 4.35Å; F254-S256 VanDerWaalsContact CD1-O 3.28Å; F254-S256 WeakPolarHBondContact CD1-O 3.47Å; F254-L260 HydrophobicContact CB-CD2 4.23Å; F254-L260 HydrophobicContact CD1-CD2 3.43Å; F254-L260 VanDerWaalsContact CD1-CD2 3.43Å; F254-L260 HydrophobicContact CD1-CG 4.03Å; F254-L260 HydrophobicContact CD2-CD2 3.57Å; F254-L260 HydrophobicContact CE1-CD2 3.58Å; F254-L260 HydrophobicContact CE1-CG 3.99Å; F254-L260 HydrophobicContact CE2-CD2 3.72Å; F254-L260 HydrophobicContact CG-CD2 3.44Å; F254-L260 VanDerWaalsContact CG-CD2 3.44Å; F254-L260 HydrophobicContact CG-CG 4.49Å; F254-L260 HydrophobicContact CZ-CD2 3.73Å; F254-L260 HydrophobicContact CZ-CG 4.4Å; F254-K337 HydrophobicContact CB-CB 4.42Å; F254-K337 HydrophobicContact CB-CD 4.48Å; F254-K337 WeakPolarHBondContact O-CG 3.26Å
255	V	97.9	Very high	97.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.138	C	C	.	.	S	Bend	trans	-113.8	-14.7	177.2	-65.9	0	0	0	0	112.3	I253 C259 V261 L271 C340 F357 I369	I253-V255 HydrophobicContact CG2-CG1 4.15Å; V255-C259 HydrophobicContact CG2-CB 3.81Å; V255-C259 WeakPolarHBondContact CG2-O 3.48Å; V255-C259 PolarHBondContact N-O 2.87Å; V255-V261 HydrophobicContact CG1-CB 4.13Å; V255-V261 HydrophobicContact CG1-CG2 3.77Å; V255-V261 HydrophobicContact CG2-CG2 4.03Å; V255-L271 HydrophobicContact CG2-CD1 4.45Å; V255-C340 HydrophobicContact CB-CB 3.72Å; V255-C340 HydrophobicContact CG1-CB 4.11Å; V255-C340 WeakPolarHBondContact O-CB 3.44Å; V255-C340 PolarHBondContact O-N 3.05Å; V255-F357 HydrophobicContact CB-CE2 3.94Å; V255-F357 HydrophobicContact CB-CZ 3.97Å; V255-F357 HydrophobicContact CG1-CE2 4.12Å; V255-F357 HydrophobicContact CG1-CZ 3.96Å; V255-F357 HydrophobicContact CG2-CE2 4.31Å; V255-F357 HydrophobicContact CG2-CZ 3.96Å; V255-I369 HydrophobicContact CG2-CG2 4.42Å
256	S	96.4	Very high	97.8	Very high	16 Å²	16	20.6 Å²	20.6	11%	0.112	11%	0.107	C	C	.	.	S	Bend	trans	-147.5	-177	159.4	71.6	0	0	0	0	107.5	F254 N258 C259 K337	F254-S256 VanDerWaalsContact CD1-O 3.28Å; F254-S256 WeakPolarHBondContact CD1-O 3.47Å; S256-N258 PolarHBondContact O-N 3.32Å; S256-N258 PolarHBondContact OG-N 2.93Å; S256-C259 PolarHBondContact N-O 2.71Å; S256-C259 WeakPolarHBondContact OG-CB 3.41Å; S256-C259 PolarHBondContact OG-N 3.03Å; S256-C259 VanDerWaalsContact OG-N 3.09Å; S256-K337 CarbonylContact C-O 3.57Å; S256-K337 VanDerWaalsContact C-O 3.24Å; S256-K337 WeakPolarHBondContact CA-O 3.35Å; S256-K337 PolarHBondContact N-O 2.63Å
257	E	94.4	Very high	97.9	Very high	53 Å²	53	19.5 Å²	19.5	25%	0.248	10%	0.103	C	C	.	.	S	Bend	trans	-63.9	-24.2	177.9	-164.9	58.6	-160.8	0	0	113.1	S213 A214 S215	S213-E257 VanDerWaalsContact CB-OE1 3.28Å; S213-E257 WeakPolarHBondContact CB-OE1 3.3Å; S213-E257 WeakPolarHBondContact CB-OE2 3.28Å; S213-E257 PolarHBondContact OG-OE1 2.98Å; S213-E257 PolarHBondContact OG-OE2 2.85Å; A214-E257 PolarHBondContact N-OE2 2.82Å; A214-E257 VanDerWaalsContact N-OE2 3.14Å; S215-E257 WeakPolarHBondContact CB-OE1 3.36Å; S215-E257 PolarHBondContact N-OE2 3.26Å; S215-E257 VanDerWaalsContact N-OE2 3.1Å; S215-E257 PolarHBondContact OG-OE1 2.87Å
258	N	94.8	Very high	97.8	Very high	50 Å²	50	14.8 Å²	14.8	27%	0.267	8%	0.078	S	C	.	.	S	Bend	trans	-118.2	-6.7	-174.6	-73	-27.9	0	0	0	113.7	R218 S256 R273 C274	R218-N258 VanDerWaalsContact CZ-OD1 3.3Å; R218-N258 PolarHBondContact NH1-OD1 2.94Å; R218-N258 PolarHBondContact NH2-OD1 2.76Å; S256-N258 PolarHBondContact O-N 3.32Å; S256-N258 PolarHBondContact OG-N 2.93Å; N258-R273 CarbonylContact O-C 3.48Å; N258-R273 WeakPolarHBondContact O-CA 3.37Å; N258-C274 WeakPolarHBondContact CB-O 3.43Å; N258-C274 PolarHBondContact O-N 3.1Å
259	C	97.1	Very high	97.8	Very high	2 Å²	2	14 Å²	14	1%	0.014	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.9	-178.9	-67.5	0	0	0	0	112.2	V255 S256 L271 F272 I369	V255-C259 HydrophobicContact CG2-CB 3.81Å; V255-C259 WeakPolarHBondContact CG2-O 3.48Å; V255-C259 PolarHBondContact N-O 2.87Å; S256-C259 PolarHBondContact N-O 2.71Å; S256-C259 WeakPolarHBondContact OG-CB 3.41Å; S256-C259 PolarHBondContact OG-N 3.03Å; S256-C259 VanDerWaalsContact OG-N 3.09Å; C259-L271 HydrophobicContact CB-CD1 4.22Å; C259-F272 WeakPolarHBondContact CA-O 3.37Å; C259-I369 HydrophobicContact CB-CG2 4.23Å; C259-I369 PolarHBondContact SG-O 2.77Å
260	L	97.8	Very high	97.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.9	-179.8	-65.3	163.7	0	0	0	109.9	A220 V228 V230 V252 I253 F254 L271 F272 L280	A220-L260 HydrophobicContact CB-CD1 3.85Å; A220-L260 HydrophobicContact CB-CD2 3.5Å; A220-L260 VanDerWaalsContact CB-CD2 3.5Å; A220-L260 HydrophobicContact CB-CG 4.35Å; V228-L260 HydrophobicContact CG1-CD1 4.4Å; V230-L260 HydrophobicContact CG2-CD1 3.43Å; V230-L260 VanDerWaalsContact CG2-CD1 3.43Å; V252-L260 HydrophobicContact CG2-CB 4.34Å; V252-L260 HydrophobicContact CG2-CD2 4.07Å; I253-L260 WeakPolarHBondContact O-CA 3.48Å; F254-L260 HydrophobicContact CB-CD2 4.23Å; F254-L260 HydrophobicContact CD1-CD2 3.43Å; F254-L260 VanDerWaalsContact CD1-CD2 3.43Å; F254-L260 HydrophobicContact CD1-CG 4.03Å; F254-L260 HydrophobicContact CD2-CD2 3.57Å; F254-L260 HydrophobicContact CE1-CD2 3.58Å; F254-L260 HydrophobicContact CE1-CG 3.99Å; F254-L260 HydrophobicContact CE2-CD2 3.72Å; F254-L260 HydrophobicContact CG-CD2 3.44Å; F254-L260 VanDerWaalsContact CG-CD2 3.44Å; F254-L260 HydrophobicContact CG-CG 4.49Å; F254-L260 HydrophobicContact CZ-CD2 3.73Å; F254-L260 HydrophobicContact CZ-CG 4.4Å; L260-L271 WeakPolarHBondContact O-CA 3.31Å; L260-L271 WeakPolarHBondContact O-CD1 3.47Å; L260-F272 HydrophobicContact CB-CB 4.26Å; L260-F272 PolarHBondContact N-O 3.02Å; L260-F272 PolarHBondContact O-N 3.26Å; L260-L280 HydrophobicContact CD1-CD1 3.98Å
261	V	98.7	Very high	97.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.9	161.9	175	0	0	0	0	108.5	V252 I253 V255 P269 M270 L271 L286 V330 F343 F357	V252-V261 WeakPolarHBondContact CA-O 3.49Å; I253-V261 PolarHBondContact N-O 3.03Å; I253-V261 PolarHBondContact O-N 2.77Å; V255-V261 HydrophobicContact CG1-CB 4.13Å; V255-V261 HydrophobicContact CG1-CG2 3.77Å; V255-V261 HydrophobicContact CG2-CG2 4.03Å; V261-P269 HydrophobicContact CG1-CB 4.11Å; V261-M270 WeakPolarHBondContact CA-O 3.48Å; V261-L271 HydrophobicContact CG2-CD1 4.13Å; V261-L286 HydrophobicContact CG1-CD1 4.43Å; V261-L286 HydrophobicContact CG2-CD1 4.11Å; V261-V330 HydrophobicContact CG1-CG1 4.05Å; V261-F343 HydrophobicContact CG1-CD2 4.17Å; V261-F343 HydrophobicContact CG1-CE2 3.8Å; V261-F343 HydrophobicContact CG1-CZ 4.02Å; V261-F343 HydrophobicContact CG2-CD1 4.46Å; V261-F343 HydrophobicContact CG2-CE1 4.28Å; V261-F343 HydrophobicContact CG2-CZ 4.48Å; V261-F357 HydrophobicContact CG2-CE1 4.11Å; V261-F357 HydrophobicContact CG2-CZ 3.73Å
262	A	98.8	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.8	172.3	0	0	0	0	0	111.1	V222 L249 S251 V252 P269 M270 F272	V222-A262 HydrophobicContact CG1-CB 4.23Å; L249-A262 HydrophobicContact CB-CB 4.45Å; L249-A262 HydrophobicContact CD1-CB 3.8Å; L249-A262 HydrophobicContact CD2-CB 4.12Å; L249-A262 HydrophobicContact CG-CB 4.35Å; S251-A262 CarbonylContact O-C 3.24Å; S251-A262 WeakPolarHBondContact O-CA 3.39Å; V252-A262 HydrophobicContact CB-CB 4.1Å; V252-A262 HydrophobicContact CG2-CB 4.02Å; A262-P269 CarbonylContact O-C 3.6Å; A262-M270 PolarHBondContact N-O 3.1Å; A262-M270 PolarHBondContact O-N 2.92Å; A262-F272 HydrophobicContact CB-CD2 4.35Å; A262-F272 HydrophobicContact CB-CE2 4.07Å
263	A	98.8	Very high	97.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.8	177.5	0	0	0	0	0	110.7	L250 S251 P269 I327 V330	L250-A263 PolarHBondContact N-O 2.95Å; S251-A263 PolarHBondContact N-O 3.1Å; S251-A263 PolarHBondContact O-N 3.42Å; A263-P269 HydrophobicContact CB-CB 4.48Å; A263-I327 HydrophobicContact CB-CB 3.75Å; A263-I327 HydrophobicContact CB-CD1 3.9Å; A263-I327 HydrophobicContact CB-CG1 4.44Å; A263-I327 HydrophobicContact CB-CG2 3.52Å; A263-V330 HydrophobicContact CB-CG2 3.73Å
264	G	98.6	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-132.3	-178.7	0	0	0	0	0	113	D266 C267 S326 I327	G264-D266 VanDerWaalsContact C-N 3.29Å; G264-D266 PolarHBondContact O-N 2.95Å; G264-C267 PolarHBondContact O-N 2.9Å; G264-C267 VanDerWaalsContact O-N 3.11Å; G264-S326 WeakPolarHBondContact O-CA 3.36Å; G264-I327 WeakPolarHBondContact CA-O 3.3Å; G264-I327 PolarHBondContact O-N 3.29Å
265	H	98.5	Very high	96.9	Very high	62 Å²	62	18.6 Å²	18.6	29%	0.287	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.9	-171	-69.3	-60	0	0	0	115.1	L247 P248 C267 S326	L247-H265 HydrophobicContact CB-CB 3.67Å; L247-H265 HydrophobicContact CD1-CB 4.01Å; P248-H265 PolarHBondContact O-CD2 2.58Å; P248-H265 VanDerWaalsContact O-CD2 3.31Å; P248-H265 PolarHBondContact O-N 2.73Å; H265-C267 PolarHBondContact O-N 2.87Å; H265-C267 PolarHBondContact O-SG 2.85Å; H265-C267 VanDerWaalsContact O-SG 3.37Å; H265-S326 PolarHBondContact ND1-OG 3.32Å
266	D	97.6	Very high	96.1	Very high	36 Å²	36	24.7 Å²	24.7	19%	0.193	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-6.1	171.1	-90.1	-107.9	0	0	0	113.9	F246 L247 G264 C268 M270 K285	F246-D266 WeakPolarHBondContact CB-OD2 3.41Å; L247-D266 WeakPolarHBondContact CA-OD2 3.29Å; L247-D266 VanDerWaalsContact CB-OD2 3.27Å; L247-D266 WeakPolarHBondContact CB-OD2 3.39Å; L247-D266 PolarHBondContact N-OD2 2.92Å; G264-D266 VanDerWaalsContact C-N 3.29Å; G264-D266 PolarHBondContact O-N 2.95Å; D266-C268 HydrophobicContact CB-CB 4.49Å; D266-C268 PolarHBondContact O-N 2.82Å; D266-M270 HydrophobicContact CB-CE 3.55Å; D266-K285 IonicContact OD1-NZ 2.77Å; D266-K285 PolarHBondContact OD1-NZ 2.94Å
267	C	97.4	Very high	95.4	Very high	7 Å²	7	28 Å²	28	5%	0.047	15%	0.147	C	C	.	.	S	Bend	trans	60	16.4	-178.3	-44.1	0	0	0	0	113.5	G264 H265 L319 H323 N325	G264-C267 PolarHBondContact O-N 2.9Å; G264-C267 VanDerWaalsContact O-N 3.11Å; H265-C267 PolarHBondContact O-N 2.87Å; H265-C267 PolarHBondContact O-SG 2.85Å; H265-C267 VanDerWaalsContact O-SG 3.37Å; C267-L319 HydrophobicContact CB-CD1 4.02Å; C267-H323 HydrophobicContact CB-CB 4.24Å; C267-H323 WeakPolarHBondContact CB-O 3.2Å; C267-N325 WeakPolarHBondContact CB-O 3.4Å; C267-N325 VanDerWaalsContact SG-CA 3.58Å; C267-N325 PolarHBondContact SG-O 3.39Å
268	C	97.1	Very high	94.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.142	C	C	.	.	S	Bend	trans	-131.9	128.3	-174	-178.3	0	0	0	0	110.1	D266 T321	D266-C268 HydrophobicContact CB-CB 4.49Å; D266-C268 PolarHBondContact O-N 2.82Å; C268-T321 HydrophobicContact CB-CG2 3.87Å
269	P	98.1	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.			trans	-68.3	140.4	169.5	-13.8	28.1	0	0	0	111.3	V261 A262 A263 L286 I327 F343 T345 W355	V261-P269 HydrophobicContact CG1-CB 4.11Å; A262-P269 CarbonylContact O-C 3.6Å; A263-P269 HydrophobicContact CB-CB 4.48Å; P269-L286 HydrophobicContact CB-CB 4.31Å; P269-L286 HydrophobicContact CB-CD1 4.28Å; P269-L286 WeakPolarHBondContact O-CB 3.25Å; P269-L286 PolarHBondContact O-N 3.37Å; P269-I327 HydrophobicContact CG-CD1 4.02Å; P269-F343 HydrophobicContact CB-CE2 3.93Å; P269-F343 HydrophobicContact CB-CZ 4.05Å; P269-F343 HydrophobicContact CG-CE2 4.13Å; P269-F343 HydrophobicContact CG-CZ 4.43Å; P269-T345 HydrophobicContact CG-CG2 4.1Å; P269-W355 HydrophobicContact CG-CD2 4.13Å; P269-W355 HydrophobicContact CG-CE3 4.34Å; P269-W355 HydrophobicContact CG-CH2 3.79Å; P269-W355 HydrophobicContact CG-CZ2 3.48Å; P269-W355 VanDerWaalsContact CG-CZ2 3.48Å; P269-W355 HydrophobicContact CG-CZ3 4.19Å
270	M	98.2	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138	-176.3	-64.6	176.2	-166.1	0	0	110	F246 L249 V261 A262 D266 F272 F282 S284 K285	F246-M270 HydrophobicContact CB-CE 3.67Å; F246-M270 HydrophobicContact CB-SD 4.28Å; F246-M270 HydrophobicContact CD1-CE 4.13Å; F246-M270 HydrophobicContact CD2-CE 3.69Å; F246-M270 HydrophobicContact CD2-SD 3.42Å; F246-M270 WeakPolarHBondContact CD2-SD 3.47Å; F246-M270 HydrophobicContact CE2-CE 4.42Å; F246-M270 HydrophobicContact CE2-SD 3.99Å; F246-M270 HydrophobicContact CG-CE 3.53Å; F246-M270 HydrophobicContact CG-SD 3.95Å; L249-M270 HydrophobicContact CD2-SD 4.02Å; V261-M270 WeakPolarHBondContact CA-O 3.48Å; A262-M270 PolarHBondContact N-O 3.1Å; A262-M270 PolarHBondContact O-N 2.92Å; D266-M270 HydrophobicContact CB-CE 3.55Å; M270-F272 HydrophobicContact CB-CD2 4.48Å; M270-F272 HydrophobicContact CB-CE2 3.7Å; M270-F272 HydrophobicContact CB-CZ 4.33Å; M270-F282 HydrophobicContact CB-CE2 4.09Å; M270-F282 HydrophobicContact CG-CE2 4.23Å; M270-F282 HydrophobicContact SD-CE2 4.39Å; M270-S284 WeakPolarHBondContact CA-O 3.39Å; M270-K285 HydrophobicContact CG-CG 4.2Å
271	L	98.1	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.2	176.2	-173.9	73.8	0	0	0	110.3	V255 C259 L260 V261 V283 S284 L286 L367 I369	V255-L271 HydrophobicContact CG2-CD1 4.45Å; C259-L271 HydrophobicContact CB-CD1 4.22Å; L260-L271 WeakPolarHBondContact O-CA 3.31Å; L260-L271 WeakPolarHBondContact O-CD1 3.47Å; V261-L271 HydrophobicContact CG2-CD1 4.13Å; L271-V283 HydrophobicContact CB-CB 4.23Å; L271-V283 HydrophobicContact CD2-CB 4.03Å; L271-V283 HydrophobicContact CD2-CG1 3.9Å; L271-V283 HydrophobicContact CD2-CG2 4.4Å; L271-V283 HydrophobicContact CG-CB 4.14Å; L271-V283 HydrophobicContact CG-CG2 4.39Å; L271-V283 WeakPolarHBondContact O-CB 3.27Å; L271-V283 PolarHBondContact O-N 3.28Å; L271-S284 PolarHBondContact N-O 2.81Å; L271-S284 PolarHBondContact O-N 3.36Å; L271-L286 HydrophobicContact CB-CD1 4.38Å; L271-L286 HydrophobicContact CB-CD2 4.03Å; L271-L286 HydrophobicContact CB-CG 4.32Å; L271-L367 HydrophobicContact CD2-CD1 3.49Å; L271-L367 VanDerWaalsContact CD2-CD1 3.49Å; L271-L367 HydrophobicContact CD2-CG 4.49Å; L271-I369 HydrophobicContact CD1-CD1 4.47Å; L271-I369 HydrophobicContact CD2-CD1 4.39Å; L271-I369 HydrophobicContact CD2-CG1 3.99Å
272	F	97.9	Very high	94.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.1	169.8	-60	-100.7	0	0	0	109.4	V228 Q242 T244 L249 C259 L260 A262 M270 L280 A281 F282	V228-F272 HydrophobicContact CB-CD1 4.42Å; V228-F272 HydrophobicContact CB-CE1 4.32Å; V228-F272 HydrophobicContact CG2-CD1 4.17Å; V228-F272 HydrophobicContact CG2-CD2 4.33Å; V228-F272 HydrophobicContact CG2-CE1 3.68Å; V228-F272 HydrophobicContact CG2-CE2 3.87Å; V228-F272 HydrophobicContact CG2-CG 4.48Å; V228-F272 HydrophobicContact CG2-CZ 3.53Å; Q242-F272 HydrophobicContact CG-CE1 4.4Å; T244-F272 HydrophobicContact CG2-CE1 3.88Å; T244-F272 HydrophobicContact CG2-CZ 3.91Å; L249-F272 HydrophobicContact CD1-CE2 4.06Å; L249-F272 HydrophobicContact CD1-CZ 4.03Å; C259-F272 WeakPolarHBondContact CA-O 3.37Å; L260-F272 HydrophobicContact CB-CB 4.26Å; L260-F272 PolarHBondContact N-O 3.02Å; L260-F272 PolarHBondContact O-N 3.26Å; A262-F272 HydrophobicContact CB-CD2 4.35Å; A262-F272 HydrophobicContact CB-CE2 4.07Å; M270-F272 HydrophobicContact CB-CD2 4.48Å; M270-F272 HydrophobicContact CB-CE2 3.7Å; M270-F272 HydrophobicContact CB-CZ 4.33Å; F272-L280 HydrophobicContact CB-CD1 3.9Å; F272-A281 CarbonylContact C-O 3.51Å; F272-A281 VanDerWaalsContact CA-O 3.28Å; F272-A281 WeakPolarHBondContact CA-O 3.24Å; F272-F282 HydrophobicContact CD1-CB 4.04Å; F272-F282 HydrophobicContact CD1-CD2 4.32Å; F272-F282 HydrophobicContact CE1-CB 3.87Å; F272-F282 AromaticContact CE1-CD2 3.81Å; F272-F282 HydrophobicContact CE1-CD2 3.81Å; F272-F282 HydrophobicContact CE1-CG 4.33Å; F272-F282 HydrophobicContact CE2-CD2 4.43Å; F272-F282 AromaticContact CZ-CD2 3.85Å; F272-F282 HydrophobicContact CZ-CD2 3.85Å
273	R	96.3	Very high	94.1	Very high	88 Å²	88	34.5 Å²	34.5	33%	0.332	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135	178.2	-179.9	178.4	-72.6	-166.3	-13.4	110.1	N258 A281 V283 R368	N258-R273 CarbonylContact O-C 3.48Å; N258-R273 WeakPolarHBondContact O-CA 3.37Å; R273-A281 PolarHBondContact N-O 3.01Å; R273-A281 PolarHBondContact O-N 3.08Å; R273-V283 HydrophobicContact CB-CG2 3.56Å; R273-R368 VanDerWaalsContact NH2-C 3.26Å; R273-R368 PolarHBondContact NH2-O 2.64Å
274	C	93.2	Very high	94	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.9	169.3	-166.5	0	0	0	0	108.3	R218 N258 G278 A279	R218-C274 PolarHBondContact NH1-SG 2.84Å; N258-C274 WeakPolarHBondContact CB-O 3.43Å; N258-C274 PolarHBondContact O-N 3.1Å; C274-G278 VanDerWaalsContact SG-CA 3.54Å; C274-G278 PolarHBondContact SG-O 3.46Å; C274-G278 VanDerWaalsContact SG-O 3.39Å; C274-A279 CarbonylContact C-O 3.5Å; C274-A279 VanDerWaalsContact CA-O 3.3Å; C274-A279 WeakPolarHBondContact CA-O 3.46Å
275	D	88.5	Confident	93.9	Very high	73 Å²	73	38.3 Å²	38.3	39%	0.39	22%	0.217	S	C	.	.			trans	-76.6	-178.5	176.4	72	14.7	0	0	0	112.3	S277 G278 A279	D275-S277 VanDerWaalsContact CG-OG 3.26Å; D275-S277 PolarHBondContact O-N 2.89Å; D275-S277 VanDerWaalsContact OD1-CA 3.3Å; D275-S277 WeakPolarHBondContact OD1-CA 3.24Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å; D275-S277 PolarHBondContact OD1-N 3.08Å; D275-S277 PolarHBondContact OD1-OG 3.43Å; D275-S277 PolarHBondContact OD2-OG 3.37Å; D275-G278 PolarHBondContact O-N 3.42Å; D275-G278 VanDerWaalsContact O-N 3.08Å; D275-G278 PolarHBondContact OD1-N 3.07Å; D275-A279 PolarHBondContact N-O 2.78Å; D275-A279 PolarHBondContact OD1-N 3.06Å
276	D	82.1	Confident	93.8	Very high	129 Å²	129	35.4 Å²	35.4	69%	0.69	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.5	178.5	-67.7	-33.6	0	0	0	113.4	K235	K235-D276 PolarHBondContact NZ-O 2.86Å
277	S	82.3	Confident	93.6	Very high	85 Å²	85	34.4 Å²	34.4	59%	0.594	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.1	172.3	81.5	0	0	0	0	112.5	D275 A279	D275-S277 VanDerWaalsContact CG-OG 3.26Å; D275-S277 PolarHBondContact O-N 2.89Å; D275-S277 VanDerWaalsContact OD1-CA 3.3Å; D275-S277 WeakPolarHBondContact OD1-CA 3.24Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å; D275-S277 PolarHBondContact OD1-N 3.08Å; D275-S277 PolarHBondContact OD1-OG 3.43Å; D275-S277 PolarHBondContact OD2-OG 3.37Å; S277-A279 PolarHBondContact OG-N 3.39Å
278	G	81.8	Confident	93	Very high	14 Å²	14	38 Å²	38	14%	0.144	22%	0.216	C	C	.	.			trans	90.3	7.2	-173.7	0	0	0	0	0	113.2	S240 C274 D275	S240-G278 WeakPolarHBondContact CB-O 3.43Å; C274-G278 VanDerWaalsContact SG-CA 3.54Å; C274-G278 PolarHBondContact SG-O 3.46Å; C274-G278 VanDerWaalsContact SG-O 3.39Å; D275-G278 PolarHBondContact O-N 3.42Å; D275-G278 VanDerWaalsContact O-N 3.08Å; D275-G278 PolarHBondContact OD1-N 3.07Å
279	A	89.3	Confident	91.9	Very high	39 Å²	39	41.8 Å²	41.8	32%	0.322	24%	0.241	S	C	.	.			trans	-79.1	127.9	178.1	0	0	0	0	0	110.6	C274 D275 S277	C274-A279 CarbonylContact C-O 3.5Å; C274-A279 VanDerWaalsContact CA-O 3.3Å; C274-A279 WeakPolarHBondContact CA-O 3.46Å; D275-A279 PolarHBondContact N-O 2.78Å; D275-A279 PolarHBondContact OD1-N 3.06Å; S277-A279 PolarHBondContact OG-N 3.39Å
280	L	95	Very high	90.3	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.3	178.1	-176.1	67.4	0	0	0	110.8	V228 V230 S240 Q242 L260 F272	V228-L280 HydrophobicContact CB-CD2 3.86Å; V228-L280 HydrophobicContact CG1-CD2 3.77Å; V228-L280 VanDerWaalsContact O-CD2 3.3Å; V228-L280 WeakPolarHBondContact O-CD2 3.39Å; V230-L280 HydrophobicContact CG2-CD1 3.86Å; V230-L280 HydrophobicContact CG2-CD2 4.06Å; V230-L280 HydrophobicContact CG2-CG 4.45Å; S240-L280 PolarHBondContact OG-N 3.1Å; Q242-L280 HydrophobicContact CB-CD2 3.94Å; Q242-L280 HydrophobicContact CB-CG 4.2Å; Q242-L280 PolarHBondContact OE1-O 2.65Å; L260-L280 HydrophobicContact CD1-CD1 3.98Å; F272-L280 HydrophobicContact CB-CD1 3.9Å
281	A	95.8	Very high	88.1	Confident	49 Å²	49	60.2 Å²	60.2	41%	0.405	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.8	174.8	0	0	0	0	0	111.6	F272 R273	F272-A281 CarbonylContact C-O 3.51Å; F272-A281 VanDerWaalsContact CA-O 3.28Å; F272-A281 WeakPolarHBondContact CA-O 3.24Å; R273-A281 PolarHBondContact N-O 3.01Å; R273-A281 PolarHBondContact O-N 3.08Å
282	F	96.8	Very high	85.4	Confident	74 Å²	74	65 Å²	65	33%	0.325	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.9	166.4	172.4	-103.8	0	0	0	110	F246 M270 F272 S284 K285	F246-F282 HydrophobicContact CE2-CD1 4.49Å; F246-F282 AromaticContact CE2-CD2 3.98Å; F246-F282 HydrophobicContact CE2-CD2 3.98Å; F246-F282 HydrophobicContact CE2-CE1 4.15Å; F246-F282 AromaticContact CE2-CE2 3.6Å; F246-F282 HydrophobicContact CE2-CE2 3.6Å; F246-F282 HydrophobicContact CE2-CG 4.4Å; F246-F282 AromaticContact CE2-CZ 3.68Å; F246-F282 HydrophobicContact CE2-CZ 3.68Å; F246-F282 HydrophobicContact CZ-CE1 4.15Å; F246-F282 HydrophobicContact CZ-CE2 4.21Å; F246-F282 AromaticContact CZ-CZ 3.82Å; F246-F282 HydrophobicContact CZ-CZ 3.82Å; M270-F282 HydrophobicContact CB-CE2 4.09Å; M270-F282 HydrophobicContact CG-CE2 4.23Å; M270-F282 HydrophobicContact SD-CE2 4.39Å; F272-F282 HydrophobicContact CD1-CB 4.04Å; F272-F282 HydrophobicContact CD1-CD2 4.32Å; F272-F282 HydrophobicContact CE1-CB 3.87Å; F272-F282 AromaticContact CE1-CD2 3.81Å; F272-F282 HydrophobicContact CE1-CD2 3.81Å; F272-F282 HydrophobicContact CE1-CG 4.33Å; F272-F282 HydrophobicContact CE2-CD2 4.43Å; F272-F282 AromaticContact CZ-CD2 3.85Å; F272-F282 HydrophobicContact CZ-CD2 3.85Å; F282-S284 VanDerWaalsContact CZ-C 3.44Å; F282-K285 HydrophobicContact CZ-CG 4.3Å
283	V	96	Very high	82.6	Confident	56 Å²	56	72.5 Å²	72.5	34%	0.339	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-60	-179.9	-177.4	0	0	0	0	111	L271 R273 L367	L271-V283 HydrophobicContact CB-CB 4.23Å; L271-V283 HydrophobicContact CD2-CB 4.03Å; L271-V283 HydrophobicContact CD2-CG1 3.9Å; L271-V283 HydrophobicContact CD2-CG2 4.4Å; L271-V283 HydrophobicContact CG-CB 4.14Å; L271-V283 HydrophobicContact CG-CG2 4.39Å; L271-V283 WeakPolarHBondContact O-CB 3.27Å; L271-V283 PolarHBondContact O-N 3.28Å; R273-V283 HydrophobicContact CB-CG2 3.56Å; V283-L367 HydrophobicContact CG1-CD1 4.01Å
284	S	95.8	Very high	79.9	Confident	22 Å²	22	76.2 Å²	76.2	15%	0.154	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	155.8	-174.5	-162.3	0	0	0	0	113.3	M270 L271 F282	M270-S284 WeakPolarHBondContact CA-O 3.39Å; L271-S284 PolarHBondContact N-O 2.81Å; L271-S284 PolarHBondContact O-N 3.36Å; F282-S284 VanDerWaalsContact CZ-C 3.44Å
285	K	96.1	Very high	77.6	Confident	58 Å²	58	86.8 Å²	86.8	25%	0.252	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.9	160.4	-77.6	-171.1	172	-167.3	0	108.3	F246 D266 M270 F282 L288	F246-K285 VanDerWaalsContact CE1-CE 3.43Å; D266-K285 IonicContact OD1-NZ 2.77Å; D266-K285 PolarHBondContact OD1-NZ 2.94Å; M270-K285 HydrophobicContact CG-CG 4.2Å; F282-K285 HydrophobicContact CZ-CG 4.3Å; K285-L288 HydrophobicContact CB-CD2 4.17Å
286	L	95.8	Very high	75.5	Confident	1 Å²	1	90.7 Å²	90.7	1%	0.005	48%	0.477	C	S	.	.	S	Bend	trans	-90.6	-12.9	-174.3	-61.1	-179	0	0	0	113.3	V261 P269 L271 F343 F357 L360 I364 L367	V261-L286 HydrophobicContact CG1-CD1 4.43Å; V261-L286 HydrophobicContact CG2-CD1 4.11Å; P269-L286 HydrophobicContact CB-CB 4.31Å; P269-L286 HydrophobicContact CB-CD1 4.28Å; P269-L286 WeakPolarHBondContact O-CB 3.25Å; P269-L286 PolarHBondContact O-N 3.37Å; L271-L286 HydrophobicContact CB-CD1 4.38Å; L271-L286 HydrophobicContact CB-CD2 4.03Å; L271-L286 HydrophobicContact CB-CG 4.32Å; L286-F343 HydrophobicContact CD1-CE1 3.96Å; L286-F343 HydrophobicContact CD1-CZ 3.68Å; L286-F357 HydrophobicContact CD1-CE1 4.31Å; L286-L360 HydrophobicContact CB-CD1 4.34Å; L286-L360 HydrophobicContact CB-CD2 4.33Å; L286-L360 HydrophobicContact CD1-CD1 4.3Å; L286-L360 HydrophobicContact CD2-CD1 4.4Å; L286-L360 WeakPolarHBondContact O-CD2 3.4Å; L286-I364 HydrophobicContact CD2-CD1 4.3Å; L286-L367 HydrophobicContact CD2-CD1 4.44Å; L286-L367 HydrophobicContact CD2-CD2 3.99Å
287	D	93.9	Very high	74.2	Confident	14 Å²	14	88.1 Å²	88.1	8%	0.075	46%	0.462	C	S	.	.			trans	-108.8	82.5	174.7	-164	9.5	0	0	0	109.6	T321 L322 W355	D287-T321 WeakPolarHBondContact OD2-CA 3.14Å; D287-T321 WeakPolarHBondContact OD2-CB 3.39Å; D287-L322 PolarHBondContact OD2-N 3.11Å; D287-W355 HydrophobicContact CB-CH2 3.68Å; D287-W355 HydrophobicContact CB-CZ3 3.78Å
288	L	84.2	Confident	73.5	Confident	84 Å²	84	87.1 Å²	87.1	44%	0.44	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-89.1	128.5	175.9	-60.4	-177	0	0	0	108.8	K285 K290 I364	K285-L288 HydrophobicContact CB-CD2 4.17Å; L288-K290 PolarHBondContact O-N 3.02Å; L288-I364 HydrophobicContact CD1-CD1 4.07Å; L288-I364 HydrophobicContact CD1-CG1 3.83Å; L288-I364 HydrophobicContact CD1-CG2 4.16Å; L288-I364 HydrophobicContact CG-CD1 4.25Å; L288-I364 HydrophobicContact CG-CG1 4.46Å
289	P	74.9	Confident	72.8	Confident	80 Å²	80	90.5 Å²	90.5	52%	0.519	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-57.7	131.2	174	21.1	-28.5	0	0	0	108.3	Q291 D320	P289-Q291 PolarHBondContact O-N 3.16Å; P289-D320 HydrophobicContact CB-CB 4.41Å
290	K	63.6	Low	71.6	Confident	200 Å²	200	94.7 Å²	94.7	87%	0.87	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-57.1	118	168.5	-68.3	-177.8	-178.7	178.7	0	105.7	L288 S292	L288-K290 PolarHBondContact O-N 3.02Å; K290-S292 PolarHBondContact O-N 3.45Å
291	Q	52.6	Low	70	Confident	187 Å²	187	98.8 Å²	98.8	87%	0.874	52%	0.515	S	S	*	.			trans	-45.6	116.4	173.2	-77.3	-178.3	0.2	0	0	106.8	P289 I293	P289-Q291 PolarHBondContact O-N 3.16Å; Q291-I293 PolarHBondContact O-N 3.39Å
292	S	42.2	Very low	68.4	Low	101 Å²	101	104.5 Å²	104.5	71%	0.706	53%	0.526	S	S	*	.			trans	-54.4	116.9	175.2	57.1	0	0	0	0	105.2	K290 Q294	K290-S292 PolarHBondContact O-N 3.45Å; S292-Q294 VanDerWaalsContact C-N 3.34Å; S292-Q294 PolarHBondContact O-N 3.36Å
293	I	38.9	Very low	66.9	Low	156 Å²	156	107.7 Å²	107.7	80%	0.8	54%	0.54	S	S	*	.			trans	-49.8	113	162.7	-62.8	168.5	0	0	0	103.4	Q291 R295	Q291-I293 PolarHBondContact O-N 3.39Å; I293-R295 PolarHBondContact O-N 2.92Å
294	Q	39.1	Very low	65.1	Low	167 Å²	167	113.4 Å²	113.4	78%	0.78	56%	0.555	S	S	*	*			trans	-57.3	96.7	173.1	-91.7	-177.3	-12.8	0	0	105.3	S292 N296	S292-Q294 VanDerWaalsContact C-N 3.34Å; S292-Q294 PolarHBondContact O-N 3.36Å; Q294-N296 PolarHBondContact O-N 3.38Å
295	R	45.1	Very low	63.3	Low	223 Å²	223	115.4 Å²	115.4	84%	0.842	57%	0.565	S	S	*	*			trans	-60.5	112.9	161.4	-92.8	-175.3	169.8	179.7	-2.4	103.6	I293 M297	I293-R295 PolarHBondContact O-N 2.92Å; R295-M297 PolarHBondContact O-N 3.34Å
296	N	44.6	Very low	61.4	Low	156 Å²	156	118 Å²	118	83%	0.834	58%	0.579	S	S	*	*			trans	-59	87.9	168	-85.9	-21.8	0	0	0	107.4	Q294 S298	Q294-N296 PolarHBondContact O-N 3.38Å; N296-S298 PolarHBondContact O-N 2.89Å
297	M	53.9	Low	59.2	Low	74 Å²	74	123.7 Å²	123.7	37%	0.365	61%	0.609	S	S	.	*			trans	-64.3	129	174.6	-81.7	-175.3	43.3	0	0	108.4	R295 E301 R302 N305	R295-M297 PolarHBondContact O-N 3.34Å; M297-E301 HydrophobicContact CE-CB 4.12Å; M297-E301 HydrophobicContact CE-CG 4.26Å; M297-R302 HydrophobicContact CE-CG 4.03Å; M297-N305 WeakPolarHBondContact CE-ND2 3.18Å
298	S	68.6	Low	57.4	Low	65 Å²	65	129.9 Å²	129.9	46%	0.455	64%	0.636	S	S	.	*			trans	-65.9	156.2	178.1	74.2	0	0	0	0	111.1	N296 M300 E301 R302	N296-S298 PolarHBondContact O-N 2.89Å; S298-M300 PolarHBondContact O-N 2.88Å; S298-M300 VanDerWaalsContact O-N 3.16Å; S298-E301 WeakPolarHBondContact O-CB 3.25Å; S298-E301 PolarHBondContact O-N 2.96Å; S298-E301 PolarHBondContact OG-N 3.4Å; S298-R302 PolarHBondContact O-N 3.13Å
299	A	66.1	Low	55.9	Low	85 Å²	85	134.3 Å²	134.3	70%	0.702	65%	0.646	S	S	*	*	H	α-helix	trans	-56.1	-32.2	176.8	0	0	0	0	0	112.8	R302 F303	A299-R302 PolarHBondContact O-N 2.92Å; A299-F303 PolarHBondContact O-N 3.02Å; A299-F303 VanDerWaalsContact O-N 3.1Å
300	M	64	Low	54.7	Low	126 Å²	126	134.7 Å²	134.7	62%	0.621	66%	0.657	S	S	*	*	H	α-helix	trans	-72.4	-32.8	177.4	-168.7	170.3	-76.1	0	0	112.7	S298 F303 R304	S298-M300 PolarHBondContact O-N 2.88Å; S298-M300 VanDerWaalsContact O-N 3.16Å; M300-F303 PolarHBondContact O-N 3.33Å; M300-R304 WeakPolarHBondContact O-CG 3.31Å; M300-R304 PolarHBondContact O-N 3.08Å
301	E	61.9	Low	54	Low	97 Å²	97	130.9 Å²	130.9	45%	0.453	65%	0.65	S	S	.	*	H	α-helix	trans	-71.8	-36.1	175.2	-144.1	170	-163.7	0	0	111.3	M297 S298 F303 N305	M297-E301 HydrophobicContact CE-CB 4.12Å; M297-E301 HydrophobicContact CE-CG 4.26Å; S298-E301 WeakPolarHBondContact O-CB 3.25Å; S298-E301 PolarHBondContact O-N 2.96Å; S298-E301 PolarHBondContact OG-N 3.4Å; E301-F303 VanDerWaalsContact C-N 3.35Å; E301-N305 WeakPolarHBondContact O-CB 3.33Å; E301-N305 PolarHBondContact O-N 3.3Å; E301-N305 VanDerWaalsContact O-N 3.08Å
302	R	61.7	Low	53.7	Low	168 Å²	168	125.9 Å²	125.9	63%	0.634	63%	0.633	S	S	*	*	H	α-helix	trans	-62.8	-40.3	170.1	-69	-175.6	-179.5	-163.7	-1	112.2	M297 S298 A299 N305 M306	M297-R302 HydrophobicContact CE-CG 4.03Å; S298-R302 PolarHBondContact O-N 3.13Å; A299-R302 PolarHBondContact O-N 2.92Å; R302-N305 PolarHBondContact O-N 3.43Å; R302-M306 PolarHBondContact O-N 2.85Å; R302-M306 VanDerWaalsContact O-N 3.1Å
303	F	66.4	Low	54	Low	142 Å²	142	128 Å²	128	62%	0.623	63%	0.631	S	S	*	*	H	α-helix	trans	-68.1	-44.1	179.6	-146.9	-87.5	0	0	0	111.8	A299 M300 E301 N305 M306	A299-F303 PolarHBondContact O-N 3.02Å; A299-F303 VanDerWaalsContact O-N 3.1Å; M300-F303 PolarHBondContact O-N 3.33Å; E301-F303 VanDerWaalsContact C-N 3.35Å; F303-N305 VanDerWaalsContact C-N 3.3Å; F303-N305 PolarHBondContact O-N 2.58Å; F303-M306 HydrophobicContact CD2-CE 4.12Å; F303-M306 WeakPolarHBondContact O-CB 3.29Å; F303-M306 PolarHBondContact O-N 2.92Å; F303-M306 VanDerWaalsContact O-N 3.15Å
304	R	58.6	Low	54.5	Low	175 Å²	175	126.2 Å²	126.2	66%	0.66	62%	0.623	S	S	*	*	H	α-helix	trans	-63.4	-32.8	174.9	-73.6	179.1	-179.3	171.5	1.3	113.4	M300	M300-R304 WeakPolarHBondContact O-CG 3.31Å; M300-R304 PolarHBondContact O-N 3.08Å
305	N	57.2	Low	54.8	Low	65 Å²	65	127.3 Å²	127.3	35%	0.348	62%	0.62	S	S	.	*	H	α-helix	trans	-78.7	-19.9	177	-74.1	-6.8	0	0	0	112.8	M297 E301 R302 F303 K308 R309	M297-N305 WeakPolarHBondContact CE-ND2 3.18Å; E301-N305 WeakPolarHBondContact O-CB 3.33Å; E301-N305 PolarHBondContact O-N 3.3Å; E301-N305 VanDerWaalsContact O-N 3.08Å; R302-N305 PolarHBondContact O-N 3.43Å; F303-N305 VanDerWaalsContact C-N 3.3Å; F303-N305 PolarHBondContact O-N 2.58Å; N305-K308 PolarHBondContact O-N 2.91Å; N305-R309 WeakPolarHBondContact O-CG 3.41Å; N305-R309 PolarHBondContact O-N 3.45Å
306	M	55.8	Low	55.4	Low	113 Å²	113	122.7 Å²	122.7	56%	0.557	61%	0.612	S	S	*	*	H	α-helix	trans	-68.4	-40.4	175	-123.9	-175.7	-55.3	0	0	111.7	R302 F303 K308 R309	R302-M306 PolarHBondContact O-N 2.85Å; R302-M306 VanDerWaalsContact O-N 3.1Å; F303-M306 HydrophobicContact CD2-CE 4.12Å; F303-M306 WeakPolarHBondContact O-CB 3.29Å; F303-M306 PolarHBondContact O-N 2.92Å; F303-M306 VanDerWaalsContact O-N 3.15Å; M306-K308 VanDerWaalsContact C-N 3.33Å; M306-K308 PolarHBondContact O-N 2.83Å; M306-R309 PolarHBondContact O-N 2.98Å
307	D	50.7	Low	57	Low	120 Å²	120	121.3 Å²	121.3	64%	0.642	61%	0.61	S	S	*	*	H	α-helix	trans	-66.9	-32.6	175.8	-80.8	-15	0	0	0	112.6
308	K	55.5	Low	58.5	Low	144 Å²	144	121.9 Å²	121.9	63%	0.626	62%	0.618	S	S	*	*	H	α-helix	trans	-71.8	-33.5	175.6	-73.4	-175.4	177.1	-176.7	0	112.8	N305 M306 A310 T311 T312	N305-K308 PolarHBondContact O-N 2.91Å; M306-K308 VanDerWaalsContact C-N 3.33Å; M306-K308 PolarHBondContact O-N 2.83Å; K308-A310 PolarHBondContact O-N 3.47Å; K308-T311 PolarHBondContact O-N 2.86Å; K308-T311 PolarHBondContact O-OG1 3.03Å; K308-T312 PolarHBondContact O-OG1 2.81Å
309	R	52.3	Low	59.5	Low	176 Å²	176	122.4 Å²	122.4	66%	0.664	62%	0.615	S	S	*	*	H	α-helix	trans	-69.2	-15.6	179.4	-83.1	179.5	169.4	177	-1	114.7	N305 M306 T311 D314	N305-R309 WeakPolarHBondContact O-CG 3.41Å; N305-R309 PolarHBondContact O-N 3.45Å; M306-R309 PolarHBondContact O-N 2.98Å; R309-T311 VanDerWaalsContact C-N 3.35Å; R309-D314 IonicContact NE-OD2 2.83Å
310	A	49.1	Very low	60.7	Low	89 Å²	89	124.8 Å²	124.8	74%	0.736	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-12.8	176.9	0	0	0	0	0	113.7	K308	K308-A310 PolarHBondContact O-N 3.47Å
311	T	49.5	Very low	62.1	Low	120 Å²	120	120 Å²	120	74%	0.736	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	-6.5	-173.3	50	0	0	0	0	115.2	K308 R309	K308-T311 PolarHBondContact O-N 2.86Å; K308-T311 PolarHBondContact O-OG1 3.03Å; R309-T311 VanDerWaalsContact C-N 3.35Å
312	T	47.6	Very low	63.6	Low	82 Å²	82	118.1 Å²	118.1	50%	0.503	59%	0.586	S	S	.	*			trans	-135.1	115.2	175.4	49.3	0	0	0	0	109.2	K308 D314	K308-T312 PolarHBondContact O-OG1 2.81Å; T312-D314 PolarHBondContact O-N 3.43Å
313	E	47.6	Very low	65.2	Low	145 Å²	145	110.1 Å²	110.1	68%	0.678	56%	0.556	S	S	*	*			trans	-49.1	114.5	154.9	-69.4	-176.2	170.5	0	0	106.8	R315	E313-R315 HydrophobicContact CB-CG 4.26Å; E313-R315 PolarHBondContact O-N 2.9Å; E313-R315 IonicContact OE2-CZ 3.37Å; E313-R315 VanDerWaalsContact OE2-CZ 3.25Å; E313-R315 IonicContact OE2-NE 3.05Å; E313-R315 PolarHBondContact OE2-NE 3.04Å; E313-R315 IonicContact OE2-NH2 2.81Å; E313-R315 PolarHBondContact OE2-NH2 3.02Å
314	D	48.4	Very low	66.6	Low	118 Å²	118	107 Å²	107	63%	0.631	54%	0.544	S	S	*	.			trans	-65.3	69.4	174.2	-95.8	-28.1	0	0	0	108.9	R309 T312 N316	R309-D314 IonicContact NE-OD2 2.83Å; T312-D314 PolarHBondContact O-N 3.43Å; D314-N316 PolarHBondContact O-N 2.8Å
315	R	46.2	Very low	68.4	Low	191 Å²	191	101.9 Å²	101.9	72%	0.721	53%	0.529	S	S	*	.			trans	-80.5	71.4	167.5	-65.4	-171.4	-171.4	-165	1.8	107.8	E313 T317	E313-R315 HydrophobicContact CB-CG 4.26Å; E313-R315 PolarHBondContact O-N 2.9Å; E313-R315 IonicContact OE2-CZ 3.37Å; E313-R315 VanDerWaalsContact OE2-CZ 3.25Å; E313-R315 IonicContact OE2-NE 3.05Å; E313-R315 PolarHBondContact OE2-NE 3.04Å; E313-R315 IonicContact OE2-NH2 2.81Å; E313-R315 PolarHBondContact OE2-NH2 3.02Å; R315-T317 PolarHBondContact O-N 2.88Å
316	N	58.7	Low	70.4	Confident	125 Å²	125	99.2 Å²	99.2	67%	0.668	52%	0.516	S	S	*	.			trans	-70.2	101.7	170.1	-168.4	9.3	0	0	0	108.1	D314 T318	D314-N316 PolarHBondContact O-N 2.8Å; N316-T318 WeakPolarHBondContact OD1-CB 3.47Å; N316-T318 PolarHBondContact OD1-N 2.93Å; N316-T318 PolarHBondContact OD1-OG1 2.89Å
317	T	77.6	Confident	72.4	Confident	128 Å²	128	93.9 Å²	93.9	79%	0.785	49%	0.489	S	S	*	.			trans	-83.3	0.2	178.5	51	0	0	0	0	113.2	R315	R315-T317 PolarHBondContact O-N 2.88Å
318	T	86.1	Confident	74.6	Confident	86 Å²	86	90 Å²	90	53%	0.528	47%	0.47	S	S	.	.			trans	-81.9	130.3	-179.5	-40.8	0	0	0	0	110.2	N316	N316-T318 WeakPolarHBondContact OD1-CB 3.47Å; N316-T318 PolarHBondContact OD1-N 2.93Å; N316-T318 PolarHBondContact OD1-OG1 2.89Å
319	L	88.9	Confident	76.7	Confident	75 Å²	75	84.3 Å²	84.3	39%	0.393	45%	0.446	S	S	.	.			trans	-82.4	151.7	174.5	-56.9	179.7	0	0	0	110.8	C267 T321 Q324	C267-L319 HydrophobicContact CB-CD1 4.02Å; L319-T321 WeakPolarHBondContact CB-OG1 3.36Å; L319-T321 PolarHBondContact O-N 2.89Å; L319-Q324 PolarHBondContact O-NE2 3.04Å
320	D	90.4	Very high	78.9	Confident	135 Å²	135	76.3 Å²	76.3	72%	0.722	42%	0.416	S	S	*	.	S	Bend	trans	-74	-3.9	174.8	-67.7	-34.2	0	0	0	113.9	P289	P289-D320 HydrophobicContact CB-CB 4.41Å
321	T	93.7	Very high	81.3	Confident	25 Å²	25	72.9 Å²	72.9	15%	0.153	39%	0.387	C	S	.	.	S	Bend	trans	-90.7	159	177.9	45.6	0	0	0	0	110.9	C268 D287 L319 H323 Q324	C268-T321 HydrophobicContact CB-CG2 3.87Å; D287-T321 WeakPolarHBondContact OD2-CA 3.14Å; D287-T321 WeakPolarHBondContact OD2-CB 3.39Å; L319-T321 WeakPolarHBondContact CB-OG1 3.36Å; L319-T321 PolarHBondContact O-N 2.89Å; T321-H323 PolarHBondContact OG1-O 3.22Å; T321-Q324 PolarHBondContact O-NE2 3.03Å
322	L	93.8	Very high	83.6	Confident	58 Å²	58	68 Å²	68	30%	0.304	36%	0.357	S	S	.	.	S	Bend	trans	-61.9	-51.8	173.5	-72.2	176.8	0	0	0	110.2	M1 L3 D287 T353 W355	M1-L322 HydrophobicContact CB-CD1 3.97Å; L3-L322 HydrophobicContact CD1-CB 4.09Å; L3-L322 VanDerWaalsContact CD1-O 3.22Å; L3-L322 WeakPolarHBondContact CD1-O 3.41Å; D287-L322 PolarHBondContact OD2-N 3.11Å; L322-T353 HydrophobicContact CD1-CG2 3.94Å; L322-W355 HydrophobicContact CB-CH2 4.48Å; L322-W355 HydrophobicContact CD1-CH2 3.79Å; L322-W355 HydrophobicContact CD1-CZ2 4.32Å; L322-W355 HydrophobicContact CD1-CZ3 4.2Å
323	H	95.9	Very high	85.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-73	132.8	174.9	-80.5	-80.2	0	0	0	110.3	C267 T321 I327 T345 D349 A351 T353	C267-H323 HydrophobicContact CB-CB 4.24Å; C267-H323 WeakPolarHBondContact CB-O 3.2Å; T321-H323 PolarHBondContact OG1-O 3.22Å; H323-I327 HydrophobicContact CB-CD1 4.31Å; H323-I327 HydrophobicContact CB-CG1 3.99Å; H323-T345 PolarHBondContact NE2-OG1 3.37Å; H323-D349 WeakPolarHBondContact CA-OD2 3.41Å; H323-D349 WeakPolarHBondContact CB-OD2 3.34Å; H323-D349 IonicContact CE1-OD1 2.88Å; H323-D349 IonicContact CG-OD2 2.8Å; H323-D349 IonicContact ND1-OD1 3.53Å; H323-D349 PolarHBondContact ND1-OD1 3.3Å; H323-D349 IonicContact ND1-OD2 3.09Å; H323-D349 PolarHBondContact ND1-OD2 3.06Å; H323-A351 PolarHBondContact CE1-O 3.12Å; H323-T353 PolarHBondContact NE2-OG1 3.37Å
324	Q	95.3	Very high	88.3	Confident	78 Å²	78	61.5 Å²	61.5	36%	0.364	32%	0.319	S	S	.	.	S	Bend	trans	-98.3	6.7	-178	-63.3	-64.5	-56	0	0	112.5	L319 T321 D349	L319-Q324 PolarHBondContact O-NE2 3.04Å; T321-Q324 PolarHBondContact O-NE2 3.03Å; Q324-D349 HydrophobicContact CB-CB 4.46Å; Q324-D349 PolarHBondContact N-OD2 3.37Å
325	N	96.6	Very high	90.5	Very high	67 Å²	67	57.7 Å²	57.7	36%	0.358	31%	0.308	S	S	.	.	S	Bend	trans	-157.3	176.2	173.8	-152.9	-31	0	0	0	109.6	C267 I327 I348 D349	C267-N325 WeakPolarHBondContact CB-O 3.4Å; C267-N325 VanDerWaalsContact SG-CA 3.58Å; C267-N325 PolarHBondContact SG-O 3.39Å; N325-I327 PolarHBondContact O-N 3.33Å; N325-I348 HydrophobicContact CB-CB 4.07Å; N325-I348 HydrophobicContact CB-CG2 4.48Å; N325-D349 HydrophobicContact CB-CB 3.82Å
326	S	98.1	Very high	92.9	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.063	29%	0.294	C	S	.	.			trans	-54	134.3	-172.4	-54.7	0	0	0	0	112	G264 H265 G347 I348	G264-S326 WeakPolarHBondContact O-CA 3.36Å; H265-S326 PolarHBondContact ND1-OG 3.32Å; S326-G347 VanDerWaalsContact O-CA 3.24Å; S326-G347 WeakPolarHBondContact O-CA 3.39Å; S326-I348 PolarHBondContact O-N 2.97Å
327	I	98.6	Very high	94.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.9	172	-64.3	168.8	0	0	0	108	A263 G264 P269 H323 N325 V330 T345	A263-I327 HydrophobicContact CB-CB 3.75Å; A263-I327 HydrophobicContact CB-CD1 3.9Å; A263-I327 HydrophobicContact CB-CG1 4.44Å; A263-I327 HydrophobicContact CB-CG2 3.52Å; G264-I327 WeakPolarHBondContact CA-O 3.3Å; G264-I327 PolarHBondContact O-N 3.29Å; P269-I327 HydrophobicContact CG-CD1 4.02Å; H323-I327 HydrophobicContact CB-CD1 4.31Å; H323-I327 HydrophobicContact CB-CG1 3.99Å; N325-I327 PolarHBondContact O-N 3.33Å; I327-V330 HydrophobicContact CG2-CG2 4.44Å; I327-T345 HydrophobicContact CG2-CG2 4.08Å
328	T	97.9	Very high	95.6	Very high	40 Å²	40	50.2 Å²	50.2	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-26.4	-174.3	49.6	0	0	0	0	112.8	I11 L250 T346 I348	I11-T328 PolarHBondContact O-OG1 3.26Å; L250-T328 HydrophobicContact CD1-CG2 4.46Å; T328-T346 PolarHBondContact N-O 2.83Å; T328-T346 PolarHBondContact OG1-O 3.24Å; T328-I348 HydrophobicContact CG2-CD1 4.1Å; T328-I348 HydrophobicContact CG2-CG1 3.52Å
329	Q	98.6	Very high	96	Very high	23 Å²	23	48.9 Å²	48.9	11%	0.107	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	131.6	-177.3	-166.9	176.9	-15.6	0	0	112.1	C13 H14 T345 T346	C13-Q329 VanDerWaalsContact CA-OE1 3.23Å; H14-Q329 VanDerWaalsContact CE1-CD 3.47Å; H14-Q329 PolarHBondContact ND1-OE1 3.18Å; H14-Q329 PolarHBondContact O-NE2 2.9Å; Q329-T345 WeakPolarHBondContact O-CA 3.42Å; Q329-T346 PolarHBondContact N-O 2.76Å; Q329-T346 PolarHBondContact O-N 2.89Å
330	V	98.7	Very high	96.4	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.4	168.2	-171.5	0	0	0	0	108.6	S251 I253 V261 A263 I327 F343 C344 T345	S251-V330 PolarHBondContact OG-N 3.31Å; I253-V330 HydrophobicContact CG2-CB 4.28Å; I253-V330 HydrophobicContact CG2-CG1 3.66Å; V261-V330 HydrophobicContact CG1-CG1 4.05Å; A263-V330 HydrophobicContact CB-CG2 3.73Å; I327-V330 HydrophobicContact CG2-CG2 4.44Å; V330-F343 HydrophobicContact CG1-CD2 3.92Å; V330-C344 CarbonylContact C-O 3.6Å; V330-C344 WeakPolarHBondContact CA-O 3.46Å; V330-T345 HydrophobicContact CG1-CG2 4.38Å; V330-T345 HydrophobicContact CG2-CG2 4.09Å
331	S	98.3	Very high	96.7	Very high	18 Å²	18	44.2 Å²	44.2	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.1	178.2	62.3	0	0	0	0	111.7	H14 Y333 F343 C344	H14-S331 PolarHBondContact NE2-OG 3.39Å; S331-Y333 PolarHBondContact O-N 2.99Å; S331-F343 CarbonylContact O-C 3.57Å; S331-F343 WeakPolarHBondContact O-CA 3.46Å; S331-F343 WeakPolarHBondContact O-CB 3.1Å; S331-C344 PolarHBondContact N-O 3.48Å; S331-C344 PolarHBondContact O-N 3.46Å; S331-C344 PolarHBondContact OG-O 2.85Å
332	I	97.8	Very high	96.9	Very high	18 Å²	18	45.9 Å²	45.9	9%	0.092	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.5	172.8	-67.7	159.6	0	0	0	109.3	R20 I253 G335 K337 C340	R20-I332 PolarHBondContact NH2-O 2.64Å; R20-I332 VanDerWaalsContact NH2-O 3.16Å; I253-I332 HydrophobicContact CD1-CD1 3.84Å; I253-I332 HydrophobicContact CD1-CG1 3.76Å; I253-I332 HydrophobicContact CG1-CD1 4.27Å; I253-I332 HydrophobicContact CG1-CG1 4.37Å; I332-G335 WeakPolarHBondContact CG2-O 3.5Å; I332-K337 HydrophobicContact CD1-CB 4.27Å; I332-K337 HydrophobicContact CD1-CG 3.48Å; I332-K337 VanDerWaalsContact CD1-CG 3.48Å; I332-C340 HydrophobicContact CG1-CB 4.37Å
333	Y	97.3	Very high	97.1	Very high	31 Å²	31	43.1 Å²	43.1	12%	0.122	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-54.4	174.4	-177.1	-94.8	0	0	0	109.7	W16 R20 S331 K342 I354	W16-Y333 HydrophobicContact CD2-CD2 4.19Å; W16-Y333 HydrophobicContact CD2-CE2 4.33Å; W16-Y333 AromaticContact CE2-CD2 3.81Å; W16-Y333 HydrophobicContact CE3-CD2 4.44Å; W16-Y333 HydrophobicContact CE3-CE2 4.13Å; W16-Y333 HydrophobicContact CH2-CD2 4.07Å; W16-Y333 AromaticContact CH2-CE2 3.56Å; W16-Y333 HydrophobicContact CH2-CE2 3.56Å; W16-Y333 AromaticContact CZ2-CD2 3.74Å; W16-Y333 HydrophobicContact CZ2-CD2 3.74Å; W16-Y333 AromaticContact CZ2-CE2 3.74Å; W16-Y333 HydrophobicContact CZ2-CE2 3.74Å; W16-Y333 HydrophobicContact CZ3-CD2 4.39Å; W16-Y333 AromaticContact CZ3-CE2 3.75Å; W16-Y333 HydrophobicContact CZ3-CE2 3.75Å; R20-Y333 HydrophobicContact CB-CD2 4.38Å; R20-Y333 HydrophobicContact CB-CE2 3.88Å; R20-Y333 WeakPolarHBondContact CD-O 3.38Å; R20-Y333 WeakPolarHBondContact CG-O 3.32Å; R20-Y333 PolarHBondContact NE-O 2.71Å; S331-Y333 PolarHBondContact O-N 2.99Å; Y333-K342 WeakPolarHBondContact CA-O 3.39Å; Y333-K342 WeakPolarHBondContact CB-O 3.33Å; Y333-K342 HydrophobicContact CD1-CB 3.95Å; Y333-K342 HydrophobicContact CD1-CD 4.18Å; Y333-K342 PolarHBondContact N-O 3.01Å; Y333-I354 HydrophobicContact CD1-CG2 3.99Å; Y333-I354 HydrophobicContact CD2-CD1 3.99Å; Y333-I354 HydrophobicContact CD2-CG1 4.17Å; Y333-I354 HydrophobicContact CE1-CD1 4.23Å; Y333-I354 HydrophobicContact CE1-CG2 4.33Å; Y333-I354 HydrophobicContact CE2-CD1 3.53Å; Y333-I354 HydrophobicContact CE2-CG1 4.22Å; Y333-I354 HydrophobicContact CG-CD1 4.5Å; Y333-I354 HydrophobicContact CG-CG1 4.49Å; Y333-I354 HydrophobicContact CG-CG2 4.16Å
334	E	96.8	Very high	97.2	Very high	59 Å²	59	43.1 Å²	43.1	28%	0.276	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129	-177.9	-166.9	-171.8	149.5	0	0	111.5	R341 K342	E334-R341 PolarHBondContact O-N 3.15Å; E334-R341 IonicContact OE1-CZ 3.33Å; E334-R341 IonicContact OE1-NE 2.83Å; E334-R341 PolarHBondContact OE1-NE 2.76Å; E334-R341 IonicContact OE1-NH2 2.91Å; E334-R341 PolarHBondContact OE1-NH2 2.98Å; E334-K342 HydrophobicContact CB-CB 3.76Å; E334-K342 HydrophobicContact CB-CD 4.38Å; E334-K342 HydrophobicContact CB-CG 3.98Å; E334-K342 PolarHBondContact N-O 3.1Å; E334-K342 PolarHBondContact O-N 3.46Å; E334-K342 WeakPolarHBondContact OE2-CD 3.3Å; E334-K342 WeakPolarHBondContact OE2-CE 3.35Å; E334-K342 IonicContact OE2-NZ 2.7Å; E334-K342 PolarHBondContact OE2-NZ 3.23Å
335	G	95.9	Very high	97.4	Very high	38 Å²	38	39.4 Å²	39.4	39%	0.392	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	96.2	-152.4	-174.7	0	0	0	0	0	112.2	I332 D339	I332-G335 WeakPolarHBondContact CG2-O 3.5Å; G335-D339 WeakPolarHBondContact CA-O 3.49Å
336	D	95.9	Very high	97.5	Very high	78 Å²	78	36.2 Å²	36.2	42%	0.417	18%	0.176	S	C	.	.			trans	-141.9	-169.6	175.3	66.3	18.2	0	0	0	110.4	R338 D339 C340	D336-R338 PolarHBondContact O-N 3.26Å; D336-R338 WeakPolarHBondContact OD1-CA 3.24Å; D336-R338 WeakPolarHBondContact OD1-CB 3.22Å; D336-R338 PolarHBondContact OD1-N 2.98Å; D336-D339 PolarHBondContact N-O 2.87Å; D336-D339 CarbonylContact O-C 3.6Å; D336-D339 PolarHBondContact O-N 3.2Å; D336-D339 PolarHBondContact OD1-N 3.18Å; D336-D339 VanDerWaalsContact OD1-N 3.12Å; D336-C340 VanDerWaalsContact O-CA 3.3Å; D336-C340 WeakPolarHBondContact O-CA 3.31Å; D336-C340 WeakPolarHBondContact O-CB 3.22Å; D336-C340 PolarHBondContact O-N 3.5Å
337	K	96.7	Very high	97.4	Very high	36 Å²	36	35.8 Å²	35.8	16%	0.157	17%	0.173	C	C	.	.	S	Bend	trans	-69.6	-9.2	-180	-64.9	-178.6	176.7	177.5	0	113.5	D149 F212 A214 F254 S256 I332	D149-K337 IonicContact OD1-NZ 3.76Å; D149-K337 PolarHBondContact OD1-NZ 2.84Å; D149-K337 IonicContact OD2-NZ 2.8Å; D149-K337 PolarHBondContact OD2-NZ 3.43Å; F212-K337 VanDerWaalsContact O-CD 3.24Å; F212-K337 WeakPolarHBondContact O-CD 3.32Å; F212-K337 WeakPolarHBondContact O-CE 3.27Å; F212-K337 PolarHBondContact O-NZ 3.24Å; A214-K337 HydrophobicContact CB-CB 3.68Å; F254-K337 HydrophobicContact CB-CB 4.42Å; F254-K337 HydrophobicContact CB-CD 4.48Å; F254-K337 WeakPolarHBondContact O-CG 3.26Å; S256-K337 CarbonylContact C-O 3.57Å; S256-K337 VanDerWaalsContact C-O 3.24Å; S256-K337 WeakPolarHBondContact CA-O 3.35Å; S256-K337 PolarHBondContact N-O 2.63Å; I332-K337 HydrophobicContact CD1-CB 4.27Å; I332-K337 HydrophobicContact CD1-CG 3.48Å; I332-K337 VanDerWaalsContact CD1-CG 3.48Å
338	R	95.9	Very high	97.4	Very high	173 Å²	173	38.5 Å²	38.5	65%	0.653	19%	0.187	S	C	*	.	S	Bend	trans	-86.7	-46	175.8	-55.9	179.2	173.8	178.2	-1.4	110.5	A214 D336	A214-R338 HydrophobicContact CB-CB 4.2Å; A214-R338 HydrophobicContact CB-CG 3.23Å; D336-R338 PolarHBondContact O-N 3.26Å; D336-R338 WeakPolarHBondContact OD1-CA 3.24Å; D336-R338 WeakPolarHBondContact OD1-CB 3.22Å; D336-R338 PolarHBondContact OD1-N 2.98Å
339	D	95.1	Very high	97.3	Very high	57 Å²	57	37.5 Å²	37.5	31%	0.305	18%	0.18	S	C	.	.	S	Bend	trans	-138.2	73.9	-178	176.5	45	0	0	0	109.8	G335 D336 R341	G335-D339 WeakPolarHBondContact CA-O 3.49Å; D336-D339 PolarHBondContact N-O 2.87Å; D336-D339 CarbonylContact O-C 3.6Å; D336-D339 PolarHBondContact O-N 3.2Å; D336-D339 PolarHBondContact OD1-N 3.18Å; D336-D339 VanDerWaalsContact OD1-N 3.12Å; D339-R341 PolarHBondContact O-N 3.34Å; D339-R341 IonicContact OD2-NH1 3.04Å; D339-R341 PolarHBondContact OD2-NH1 3.28Å
340	C	97.1	Very high	97.2	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122	173.6	179.1	0	0	0	0	108.3	V255 I332 D336 K342 F357	V255-C340 HydrophobicContact CB-CB 3.72Å; V255-C340 HydrophobicContact CG1-CB 4.11Å; V255-C340 WeakPolarHBondContact O-CB 3.44Å; V255-C340 PolarHBondContact O-N 3.05Å; I332-C340 HydrophobicContact CG1-CB 4.37Å; D336-C340 VanDerWaalsContact O-CA 3.3Å; D336-C340 WeakPolarHBondContact O-CA 3.31Å; D336-C340 WeakPolarHBondContact O-CB 3.22Å; D336-C340 PolarHBondContact O-N 3.5Å; C340-K342 PolarHBondContact SG-O 2.74Å; C340-K342 VanDerWaalsContact SG-O 3.33Å; C340-F357 HydrophobicContact CB-CE2 4.18Å; C340-F357 WeakPolarHBondContact O-CD2 3.44Å; C340-F357 WeakPolarHBondContact O-CE2 3.19Å
341	R	96.8	Very high	97.1	Very high	106 Å²	106	36 Å²	36	40%	0.4	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-34.2	176.8	-63.1	-173.1	-64.2	-86.6	2.7	112.2	E334 D339 F357	E334-R341 PolarHBondContact O-N 3.15Å; E334-R341 IonicContact OE1-CZ 3.33Å; E334-R341 IonicContact OE1-NE 2.83Å; E334-R341 PolarHBondContact OE1-NE 2.76Å; E334-R341 IonicContact OE1-NH2 2.91Å; E334-R341 PolarHBondContact OE1-NH2 2.98Å; D339-R341 PolarHBondContact O-N 3.34Å; D339-R341 IonicContact OD2-NH1 3.04Å; D339-R341 PolarHBondContact OD2-NH1 3.28Å; R341-F357 WeakPolarHBondContact O-CD2 3.37Å; R341-F357 PolarHBondContact O-N 2.87Å
342	K	97.6	Very high	97	Very high	60 Å²	60	35.2 Å²	35.2	26%	0.261	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.1	176.3	-55.8	-170.3	178.2	118.8	0	111.2	Y333 E334 C340 I354 W355 D356	Y333-K342 WeakPolarHBondContact CA-O 3.39Å; Y333-K342 WeakPolarHBondContact CB-O 3.33Å; Y333-K342 HydrophobicContact CD1-CB 3.95Å; Y333-K342 HydrophobicContact CD1-CD 4.18Å; Y333-K342 PolarHBondContact N-O 3.01Å; E334-K342 HydrophobicContact CB-CB 3.76Å; E334-K342 HydrophobicContact CB-CD 4.38Å; E334-K342 HydrophobicContact CB-CG 3.98Å; E334-K342 PolarHBondContact N-O 3.1Å; E334-K342 PolarHBondContact O-N 3.46Å; E334-K342 WeakPolarHBondContact OE2-CD 3.3Å; E334-K342 WeakPolarHBondContact OE2-CE 3.35Å; E334-K342 IonicContact OE2-NZ 2.7Å; E334-K342 PolarHBondContact OE2-NZ 3.23Å; C340-K342 PolarHBondContact SG-O 2.74Å; C340-K342 VanDerWaalsContact SG-O 3.33Å; K342-I354 HydrophobicContact CB-CG2 4.33Å; K342-I354 HydrophobicContact CD-CG2 4.21Å; K342-W355 CarbonylContact C-O 3.56Å; K342-W355 WeakPolarHBondContact CA-O 3.43Å; K342-W355 VanDerWaalsContact CB-O 3.29Å; K342-W355 WeakPolarHBondContact CB-O 3.12Å; K342-D356 HydrophobicContact CD-CB 4.28Å; K342-D356 HydrophobicContact CG-CB 4.16Å
343	F	98.1	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	162	172.5	69.6	-86.4	0	0	0	110.9	V261 P269 L286 V330 S331 T345 W355 F357 L360	V261-F343 HydrophobicContact CG1-CD2 4.17Å; V261-F343 HydrophobicContact CG1-CE2 3.8Å; V261-F343 HydrophobicContact CG1-CZ 4.02Å; V261-F343 HydrophobicContact CG2-CD1 4.46Å; V261-F343 HydrophobicContact CG2-CE1 4.28Å; V261-F343 HydrophobicContact CG2-CZ 4.48Å; P269-F343 HydrophobicContact CB-CE2 3.93Å; P269-F343 HydrophobicContact CB-CZ 4.05Å; P269-F343 HydrophobicContact CG-CE2 4.13Å; P269-F343 HydrophobicContact CG-CZ 4.43Å; L286-F343 HydrophobicContact CD1-CE1 3.96Å; L286-F343 HydrophobicContact CD1-CZ 3.68Å; V330-F343 HydrophobicContact CG1-CD2 3.92Å; S331-F343 CarbonylContact O-C 3.57Å; S331-F343 WeakPolarHBondContact O-CA 3.46Å; S331-F343 WeakPolarHBondContact O-CB 3.1Å; F343-T345 HydrophobicContact CD2-CG2 4.04Å; F343-T345 HydrophobicContact CE2-CG2 3.89Å; F343-W355 HydrophobicContact CD1-CB 3.66Å; F343-W355 HydrophobicContact CD1-CG 4.4Å; F343-W355 HydrophobicContact CD2-CB 4Å; F343-W355 AromaticContact CD2-CD1 3.54Å; F343-W355 AromaticContact CD2-CG 3.9Å; F343-W355 HydrophobicContact CD2-CG 3.9Å; F343-W355 HydrophobicContact CE1-CB 3.26Å; F343-W355 AromaticContact CE1-CG 3.88Å; F343-W355 HydrophobicContact CE1-CG 3.88Å; F343-W355 HydrophobicContact CE2-CB 3.64Å; F343-W355 AromaticContact CE2-CD1 3.21Å; F343-W355 AromaticContact CE2-CD2 3.93Å; F343-W355 HydrophobicContact CE2-CD2 3.93Å; F343-W355 AromaticContact CE2-CG 3.3Å; F343-W355 HydrophobicContact CE2-CG 3.3Å; F343-W355 AromaticContact CE2-NE1 3.8Å; F343-W355 HydrophobicContact CG-CB 4.01Å; F343-W355 HydrophobicContact CG-CG 4.42Å; F343-W355 HydrophobicContact CZ-CB 3.25Å; F343-W355 AromaticContact CZ-CD1 3.74Å; F343-W355 AromaticContact CZ-CD2 3.81Å; F343-W355 HydrophobicContact CZ-CD2 3.81Å; F343-W355 HydrophobicContact CZ-CE3 4.33Å; F343-W355 AromaticContact CZ-CG 3.29Å; F343-W355 HydrophobicContact CZ-CG 3.29Å; F343-W355 PolarHBondContact N-O 3.26Å; F343-W355 PolarHBondContact O-N 3.2Å; F343-F357 HydrophobicContact CD1-CD1 4.35Å; F343-F357 HydrophobicContact CD1-CD2 4.5Å; F343-F357 AromaticContact CD1-CE1 3.68Å; F343-F357 HydrophobicContact CD1-CE1 3.68Å; F343-F357 AromaticContact CD1-CE2 3.84Å; F343-F357 HydrophobicContact CD1-CE2 3.84Å; F343-F357 AromaticContact CD1-CZ 3.4Å; F343-F357 HydrophobicContact CD1-CZ 3.4Å; F343-F357 VanDerWaalsContact CD1-CZ 3.4Å; F343-F357 HydrophobicContact CE1-CD1 4.05Å; F343-F357 AromaticContact CE1-CE1 3.39Å; F343-F357 HydrophobicContact CE1-CE1 3.39Å; F343-F357 HydrophobicContact CE1-CE2 4.41Å; F343-F357 AromaticContact CE1-CZ 3.62Å; F343-F357 HydrophobicContact CE1-CZ 3.62Å; F343-L360 HydrophobicContact CE1-CD1 4.06Å
344	C	98.3	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.8	-178.3	171.7	0	0	0	0	109.3	W16 V330 S331 T353	W16-C344 PolarHBondContact NE1-SG 3.27Å; V330-C344 CarbonylContact C-O 3.6Å; V330-C344 WeakPolarHBondContact CA-O 3.46Å; S331-C344 PolarHBondContact N-O 3.48Å; S331-C344 PolarHBondContact O-N 3.46Å; S331-C344 PolarHBondContact OG-O 2.85Å; C344-T353 CarbonylContact C-O 3.52Å; C344-T353 VanDerWaalsContact CA-O 3.3Å; C344-T353 WeakPolarHBondContact CA-O 3.27Å
345	T	98.7	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.8	171.3	58	0	0	0	0	111.1	P269 H323 I327 Q329 V330 F343 M352 T353 W355	P269-T345 HydrophobicContact CG-CG2 4.1Å; H323-T345 PolarHBondContact NE2-OG1 3.37Å; I327-T345 HydrophobicContact CG2-CG2 4.08Å; Q329-T345 WeakPolarHBondContact O-CA 3.42Å; V330-T345 HydrophobicContact CG1-CG2 4.38Å; V330-T345 HydrophobicContact CG2-CG2 4.09Å; F343-T345 HydrophobicContact CD2-CG2 4.04Å; F343-T345 HydrophobicContact CE2-CG2 3.89Å; T345-M352 CarbonylContact O-C 3.55Å; T345-M352 VanDerWaalsContact O-CA 3.29Å; T345-M352 WeakPolarHBondContact O-CA 3.26Å; T345-T353 PolarHBondContact N-O 3.23Å; T345-T353 PolarHBondContact O-N 3.17Å; T345-W355 PolarHBondContact OG1-NE1 2.77Å
346	T	98.5	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.8	168.8	58.7	0	0	0	0	110	I11 H14 T328 Q329 A351 M352	I11-T346 HydrophobicContact CD1-CG2 4.31Å; I11-T346 HydrophobicContact CG2-CG2 4.14Å; H14-T346 HydrophobicContact CB-CG2 4.28Å; H14-T346 PolarHBondContact ND1-OG1 3.14Å; T328-T346 PolarHBondContact N-O 2.83Å; T328-T346 PolarHBondContact OG1-O 3.24Å; Q329-T346 PolarHBondContact N-O 2.76Å; Q329-T346 PolarHBondContact O-N 2.89Å; T346-A351 VanDerWaalsContact CA-O 3.32Å; T346-A351 WeakPolarHBondContact CA-O 3.22Å; T346-M352 HydrophobicContact CG2-CB 3.98Å; T346-M352 HydrophobicContact CG2-CG 3.93Å
347	G	97.4	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	177	-173.3	0	0	0	0	0	115.3	I11 S326 D349 G350 A351	I11-G347 PolarHBondContact N-O 3.19Å; S326-G347 VanDerWaalsContact O-CA 3.24Å; S326-G347 WeakPolarHBondContact O-CA 3.39Å; G347-D349 WeakPolarHBondContact CA-OD1 3.47Å; G347-D349 PolarHBondContact O-N 2.86Å; G347-G350 PolarHBondContact O-N 3Å; G347-A351 PolarHBondContact N-O 3.45Å
348	I	97	Very high	96.8	Very high	57 Å²	57	34.3 Å²	34.3	29%	0.292	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.9	174.6	-57.8	-175.4	0	0	0	111.3	P10 N325 S326 T328 G350	P10-I348 VanDerWaalsContact CA-O 3.31Å; P10-I348 WeakPolarHBondContact CA-O 3.25Å; P10-I348 HydrophobicContact CB-CB 4.42Å; P10-I348 HydrophobicContact CB-CG2 4.13Å; P10-I348 HydrophobicContact CG-CG2 3.75Å; N325-I348 HydrophobicContact CB-CB 4.07Å; N325-I348 HydrophobicContact CB-CG2 4.48Å; S326-I348 PolarHBondContact O-N 2.97Å; T328-I348 HydrophobicContact CG2-CD1 4.1Å; T328-I348 HydrophobicContact CG2-CG1 3.52Å; I348-G350 PolarHBondContact O-N 3.31Å
349	D	96.2	Very high	96.6	Very high	19 Å²	19	28.9 Å²	28.9	10%	0.102	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	1.3	174.6	60.9	-13	0	0	0	113.8	Q5 H323 Q324 N325 G347 A351	Q5-D349 PolarHBondContact NE2-O 3.2Å; H323-D349 WeakPolarHBondContact CA-OD2 3.41Å; H323-D349 WeakPolarHBondContact CB-OD2 3.34Å; H323-D349 IonicContact CE1-OD1 2.88Å; H323-D349 IonicContact CG-OD2 2.8Å; H323-D349 IonicContact ND1-OD1 3.53Å; H323-D349 PolarHBondContact ND1-OD1 3.3Å; H323-D349 IonicContact ND1-OD2 3.09Å; H323-D349 PolarHBondContact ND1-OD2 3.06Å; Q324-D349 HydrophobicContact CB-CB 4.46Å; Q324-D349 PolarHBondContact N-OD2 3.37Å; N325-D349 HydrophobicContact CB-CB 3.82Å; G347-D349 WeakPolarHBondContact CA-OD1 3.47Å; G347-D349 PolarHBondContact O-N 2.86Å; D349-A351 PolarHBondContact O-N 2.87Å; D349-A351 PolarHBondContact OD1-N 2.64Å
350	G	96.7	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	74.1	12	178.3	0	0	0	0	0	114.3	F6 L7 E9 G347 I348	F6-G350 PolarHBondContact N-O 3.23Å; F6-G350 VanDerWaalsContact N-O 3.14Å; L7-G350 PolarHBondContact N-O 3.29Å; L7-G350 WeakPolarHBondContact O-CA 3.38Å; E9-G350 WeakPolarHBondContact O-CA 3.26Å; E9-G350 PolarHBondContact O-N 3.21Å; G347-G350 PolarHBondContact O-N 3Å; I348-G350 PolarHBondContact O-N 3.31Å
351	A	96.4	Very high	96.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	158	-175.5	0	0	0	0	0	112.4	L3 H4 H323 T346 G347 D349	L3-A351 HydrophobicContact CD1-CB 3.73Å; L3-A351 HydrophobicContact CD2-CB 4.19Å; L3-A351 HydrophobicContact CG-CB 3.93Å; H4-A351 WeakPolarHBondContact O-CA 3.29Å; H323-A351 PolarHBondContact CE1-O 3.12Å; T346-A351 VanDerWaalsContact CA-O 3.32Å; T346-A351 WeakPolarHBondContact CA-O 3.22Å; G347-A351 PolarHBondContact N-O 3.45Å; D349-A351 PolarHBondContact O-N 2.87Å; D349-A351 PolarHBondContact OD1-N 2.64Å
352	M	96.8	Very high	96.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.3	173.6	177.9	-89.5	-57.2	0	0	109.8	H4 F6 W16 I23 W42 T345 T346 I354	H4-M352 HydrophobicContact CB-CE 4.07Å; H4-M352 PolarHBondContact N-O 3.01Å; H4-M352 PolarHBondContact O-N 3.33Å; F6-M352 HydrophobicContact CD2-CB 3.95Å; F6-M352 HydrophobicContact CE2-CB 3.59Å; F6-M352 HydrophobicContact CE2-CE 3.51Å; F6-M352 HydrophobicContact CE2-CG 4.14Å; F6-M352 HydrophobicContact CZ-CE 3.71Å; W16-M352 HydrophobicContact CZ2-SD 4.13Å; I23-M352 HydrophobicContact CD1-CG 4.15Å; W42-M352 HydrophobicContact CZ2-CE 4.08Å; T345-M352 CarbonylContact O-C 3.55Å; T345-M352 VanDerWaalsContact O-CA 3.29Å; T345-M352 WeakPolarHBondContact O-CA 3.26Å; T346-M352 HydrophobicContact CG2-CB 3.98Å; T346-M352 HydrophobicContact CG2-CG 3.93Å; M352-I354 HydrophobicContact SD-CD1 4.27Å; M352-I354 HydrophobicContact SD-CG1 3.86Å
353	T	97	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.3	179.2	-56	0	0	0	0	110.7	L322 H323 C344 T345 W355	L322-T353 HydrophobicContact CD1-CG2 3.94Å; H323-T353 PolarHBondContact NE2-OG1 3.37Å; C344-T353 CarbonylContact C-O 3.52Å; C344-T353 VanDerWaalsContact CA-O 3.3Å; C344-T353 WeakPolarHBondContact CA-O 3.27Å; T345-T353 PolarHBondContact N-O 3.23Å; T345-T353 PolarHBondContact O-N 3.17Å; T353-W355 HydrophobicContact CG2-CD2 4.08Å; T353-W355 VanDerWaalsContact CG2-CE2 3.47Å; T353-W355 HydrophobicContact CG2-CG 4.44Å; T353-W355 HydrophobicContact CG2-CH2 4.36Å; T353-W355 HydrophobicContact CG2-CZ2 3.63Å; T353-W355 PolarHBondContact O-NE1 3.47Å
354	I	96.8	Very high	95.3	Very high	26 Å²	26	29.1 Å²	29.1	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.9	170.2	-59.6	167.3	0	0	0	109.1	Y333 K342 M352	Y333-I354 HydrophobicContact CD1-CG2 3.99Å; Y333-I354 HydrophobicContact CD2-CD1 3.99Å; Y333-I354 HydrophobicContact CD2-CG1 4.17Å; Y333-I354 HydrophobicContact CE1-CD1 4.23Å; Y333-I354 HydrophobicContact CE1-CG2 4.33Å; Y333-I354 HydrophobicContact CE2-CD1 3.53Å; Y333-I354 HydrophobicContact CE2-CG1 4.22Å; Y333-I354 HydrophobicContact CG-CD1 4.5Å; Y333-I354 HydrophobicContact CG-CG1 4.49Å; Y333-I354 HydrophobicContact CG-CG2 4.16Å; K342-I354 HydrophobicContact CB-CG2 4.33Å; K342-I354 HydrophobicContact CD-CG2 4.21Å; M352-I354 HydrophobicContact SD-CD1 4.27Å; M352-I354 HydrophobicContact SD-CG1 3.86Å
355	W	96.8	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.6	-177.4	-52.6	82.2	0	0	0	108.9	M1 P269 D287 L322 K342 F343 T345 T353 L360	M1-W355 HydrophobicContact CG-CE3 4.06Å; M1-W355 HydrophobicContact CG-CZ3 4.47Å; M1-W355 HydrophobicContact SD-CD2 4.29Å; M1-W355 HydrophobicContact SD-CE3 3.21Å; M1-W355 HydrophobicContact SD-CH2 4.41Å; M1-W355 HydrophobicContact SD-CZ3 3.29Å; M1-W355 WeakPolarHBondContact SD-CZ3 3.38Å; P269-W355 HydrophobicContact CG-CD2 4.13Å; P269-W355 HydrophobicContact CG-CE3 4.34Å; P269-W355 HydrophobicContact CG-CH2 3.79Å; P269-W355 HydrophobicContact CG-CZ2 3.48Å; P269-W355 VanDerWaalsContact CG-CZ2 3.48Å; P269-W355 HydrophobicContact CG-CZ3 4.19Å; D287-W355 HydrophobicContact CB-CH2 3.68Å; D287-W355 HydrophobicContact CB-CZ3 3.78Å; L322-W355 HydrophobicContact CB-CH2 4.48Å; L322-W355 HydrophobicContact CD1-CH2 3.79Å; L322-W355 HydrophobicContact CD1-CZ2 4.32Å; L322-W355 HydrophobicContact CD1-CZ3 4.2Å; K342-W355 CarbonylContact C-O 3.56Å; K342-W355 WeakPolarHBondContact CA-O 3.43Å; K342-W355 VanDerWaalsContact CB-O 3.29Å; K342-W355 WeakPolarHBondContact CB-O 3.12Å; F343-W355 HydrophobicContact CD1-CB 3.66Å; F343-W355 HydrophobicContact CD1-CG 4.4Å; F343-W355 HydrophobicContact CD2-CB 4Å; F343-W355 AromaticContact CD2-CD1 3.54Å; F343-W355 AromaticContact CD2-CG 3.9Å; F343-W355 HydrophobicContact CD2-CG 3.9Å; F343-W355 HydrophobicContact CE1-CB 3.26Å; F343-W355 AromaticContact CE1-CG 3.88Å; F343-W355 HydrophobicContact CE1-CG 3.88Å; F343-W355 HydrophobicContact CE2-CB 3.64Å; F343-W355 AromaticContact CE2-CD1 3.21Å; F343-W355 AromaticContact CE2-CD2 3.93Å; F343-W355 HydrophobicContact CE2-CD2 3.93Å; F343-W355 AromaticContact CE2-CG 3.3Å; F343-W355 HydrophobicContact CE2-CG 3.3Å; F343-W355 AromaticContact CE2-NE1 3.8Å; F343-W355 HydrophobicContact CG-CB 4.01Å; F343-W355 HydrophobicContact CG-CG 4.42Å; F343-W355 HydrophobicContact CZ-CB 3.25Å; F343-W355 AromaticContact CZ-CD1 3.74Å; F343-W355 AromaticContact CZ-CD2 3.81Å; F343-W355 HydrophobicContact CZ-CD2 3.81Å; F343-W355 HydrophobicContact CZ-CE3 4.33Å; F343-W355 AromaticContact CZ-CG 3.29Å; F343-W355 HydrophobicContact CZ-CG 3.29Å; F343-W355 PolarHBondContact N-O 3.26Å; F343-W355 PolarHBondContact O-N 3.2Å; T345-W355 PolarHBondContact OG1-NE1 2.77Å; T353-W355 HydrophobicContact CG2-CD2 4.08Å; T353-W355 VanDerWaalsContact CG2-CE2 3.47Å; T353-W355 HydrophobicContact CG2-CG 4.44Å; T353-W355 HydrophobicContact CG2-CH2 4.36Å; T353-W355 HydrophobicContact CG2-CZ2 3.63Å; T353-W355 PolarHBondContact O-NE1 3.47Å; W355-L360 HydrophobicContact CB-CD1 4.37Å
356	D	95.7	Very high	94	Very high	38 Å²	38	42.1 Å²	42.1	20%	0.203	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.3	-179	170	37.9	0	0	0	109.5	K342 K358 S359 L360	K342-D356 HydrophobicContact CD-CB 4.28Å; K342-D356 HydrophobicContact CG-CB 4.16Å; D356-K358 VanDerWaalsContact C-N 3.29Å; D356-K358 PolarHBondContact O-N 2.81Å; D356-K358 PolarHBondContact OD1-N 2.71Å; D356-S359 WeakPolarHBondContact O-CB 3.29Å; D356-S359 PolarHBondContact O-N 2.95Å; D356-S359 VanDerWaalsContact O-N 3.12Å; D356-S359 WeakPolarHBondContact OD2-CB 3.29Å; D356-S359 PolarHBondContact OD2-N 3.14Å; D356-S359 PolarHBondContact OD2-OG 3.35Å; D356-L360 WeakPolarHBondContact O-CG 3.15Å; D356-L360 PolarHBondContact O-N 2.9Å
357	F	95.3	Very high	93.6	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.039	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-34.6	-175	-74.7	-52	0	0	0	112.8	V255 V261 L286 C340 R341 F343 S359 L360 E361 I369	V255-F357 HydrophobicContact CB-CE2 3.94Å; V255-F357 HydrophobicContact CB-CZ 3.97Å; V255-F357 HydrophobicContact CG1-CE2 4.12Å; V255-F357 HydrophobicContact CG1-CZ 3.96Å; V255-F357 HydrophobicContact CG2-CE2 4.31Å; V255-F357 HydrophobicContact CG2-CZ 3.96Å; V261-F357 HydrophobicContact CG2-CE1 4.11Å; V261-F357 HydrophobicContact CG2-CZ 3.73Å; L286-F357 HydrophobicContact CD1-CE1 4.31Å; C340-F357 HydrophobicContact CB-CE2 4.18Å; C340-F357 WeakPolarHBondContact O-CD2 3.44Å; C340-F357 WeakPolarHBondContact O-CE2 3.19Å; R341-F357 WeakPolarHBondContact O-CD2 3.37Å; R341-F357 PolarHBondContact O-N 2.87Å; F343-F357 HydrophobicContact CD1-CD1 4.35Å; F343-F357 HydrophobicContact CD1-CD2 4.5Å; F343-F357 AromaticContact CD1-CE1 3.68Å; F343-F357 HydrophobicContact CD1-CE1 3.68Å; F343-F357 AromaticContact CD1-CE2 3.84Å; F343-F357 HydrophobicContact CD1-CE2 3.84Å; F343-F357 AromaticContact CD1-CZ 3.4Å; F343-F357 HydrophobicContact CD1-CZ 3.4Å; F343-F357 VanDerWaalsContact CD1-CZ 3.4Å; F343-F357 HydrophobicContact CE1-CD1 4.05Å; F343-F357 AromaticContact CE1-CE1 3.39Å; F343-F357 HydrophobicContact CE1-CE1 3.39Å; F343-F357 HydrophobicContact CE1-CE2 4.41Å; F343-F357 AromaticContact CE1-CZ 3.62Å; F343-F357 HydrophobicContact CE1-CZ 3.62Å; F357-S359 VanDerWaalsContact C-N 3.27Å; F357-S359 PolarHBondContact O-N 2.89Å; F357-L360 HydrophobicContact CD1-CD1 3.77Å; F357-L360 HydrophobicContact CE1-CD1 4.26Å; F357-L360 PolarHBondContact O-N 3.02Å; F357-L360 VanDerWaalsContact O-N 3.13Å; F357-E361 WeakPolarHBondContact O-CB 3.28Å; F357-E361 WeakPolarHBondContact O-CG 3.21Å; F357-E361 PolarHBondContact O-N 3.06Å; F357-I369 HydrophobicContact CB-CD1 3.92Å; F357-I369 HydrophobicContact CD1-CD1 2.9Å; F357-I369 HydrophobicContact CD1-CG1 4.4Å; F357-I369 HydrophobicContact CD2-CD1 4.12Å; F357-I369 HydrophobicContact CE1-CD1 3.17Å; F357-I369 HydrophobicContact CE2-CD1 4.32Å; F357-I369 HydrophobicContact CG-CD1 3.41Å; F357-I369 VanDerWaalsContact CG-CD1 3.41Å; F357-I369 HydrophobicContact CZ-CD1 3.88Å
358	K	94.3	Very high	92.8	Very high	168 Å²	168	49.6 Å²	49.6	73%	0.73	28%	0.277	S	S	*	.	H	α-helix	trans	-59.5	-42.2	174.6	-175.6	178	-179.5	178.1	0	111.4	D356 A362	D356-K358 VanDerWaalsContact C-N 3.29Å; D356-K358 PolarHBondContact O-N 2.81Å; D356-K358 PolarHBondContact OD1-N 2.71Å; K358-A362 WeakPolarHBondContact O-CB 3.21Å; K358-A362 PolarHBondContact O-N 3.36Å
359	S	92.9	Very high	91.8	Very high	58 Å²	58	47.4 Å²	47.4	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-67.6	-40	175.7	-63.2	0	0	0	0	111.9	D356 F357 A362 S363	D356-S359 WeakPolarHBondContact O-CB 3.29Å; D356-S359 PolarHBondContact O-N 2.95Å; D356-S359 VanDerWaalsContact O-N 3.12Å; D356-S359 WeakPolarHBondContact OD2-CB 3.29Å; D356-S359 PolarHBondContact OD2-N 3.14Å; D356-S359 PolarHBondContact OD2-OG 3.35Å; F357-S359 VanDerWaalsContact C-N 3.27Å; F357-S359 PolarHBondContact O-N 2.89Å; S359-A362 PolarHBondContact O-N 3.45Å; S359-S363 WeakPolarHBondContact O-CB 3.33Å; S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 3.39Å
360	L	93.8	Very high	90.1	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-48.8	178.6	-71.6	169.1	0	0	0	111.9	M1 L286 F343 W355 D356 F357 A362 S363 I364 L367	M1-L360 HydrophobicContact CE-CD2 4.21Å; M1-L360 HydrophobicContact SD-CD2 3.69Å; L286-L360 HydrophobicContact CB-CD1 4.34Å; L286-L360 HydrophobicContact CB-CD2 4.33Å; L286-L360 HydrophobicContact CD1-CD1 4.3Å; L286-L360 HydrophobicContact CD2-CD1 4.4Å; L286-L360 WeakPolarHBondContact O-CD2 3.4Å; F343-L360 HydrophobicContact CE1-CD1 4.06Å; W355-L360 HydrophobicContact CB-CD1 4.37Å; D356-L360 WeakPolarHBondContact O-CG 3.15Å; D356-L360 PolarHBondContact O-N 2.9Å; F357-L360 HydrophobicContact CD1-CD1 3.77Å; F357-L360 HydrophobicContact CE1-CD1 4.26Å; F357-L360 PolarHBondContact O-N 3.02Å; F357-L360 VanDerWaalsContact O-N 3.13Å; L360-A362 PolarHBondContact O-N 3.27Å; L360-S363 WeakPolarHBondContact CA-OG 3.28Å; L360-S363 CarbonylContact O-C 3.55Å; L360-S363 PolarHBondContact O-N 3.47Å; L360-S363 PolarHBondContact O-OG 2.83Å; L360-I364 HydrophobicContact CD2-CD1 4.3Å; L360-I364 PolarHBondContact O-N 3.36Å; L360-L367 HydrophobicContact CB-CD2 4.04Å
361	E	93.1	Very high	89.8	Confident	53 Å²	53	58.9 Å²	58.9	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-32.4	177.1	-70.6	-176.8	147.1	0	0	112.5	F357 S363 L367 R368 I369	F357-E361 WeakPolarHBondContact O-CB 3.28Å; F357-E361 WeakPolarHBondContact O-CG 3.21Å; F357-E361 PolarHBondContact O-N 3.06Å; E361-S363 VanDerWaalsContact C-N 3.34Å; E361-L367 HydrophobicContact CG-CD2 4.45Å; E361-L367 HydrophobicContact CG-CG 4.47Å; E361-R368 WeakPolarHBondContact OE1-CA 3.44Å; E361-I369 PolarHBondContact OE1-N 2.86Å
362	A	91.3	Very high	89.5	Confident	90 Å²	90	61.9 Å²	61.9	74%	0.744	34%	0.34	S	S	*	.	H	α-helix	trans	-72.5	-28.1	173.8	0	0	0	0	0	112.9	K358 S359 L360	K358-A362 WeakPolarHBondContact O-CB 3.21Å; K358-A362 PolarHBondContact O-N 3.36Å; S359-A362 PolarHBondContact O-N 3.45Å; L360-A362 PolarHBondContact O-N 3.27Å
363	S	88.6	Confident	89.1	Confident	78 Å²	78	65.3 Å²	65.3	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-96.2	-23.2	-175.2	68.6	0	0	0	0	114.7	S359 L360 E361	S359-S363 WeakPolarHBondContact O-CB 3.33Å; S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 3.39Å; L360-S363 WeakPolarHBondContact CA-OG 3.28Å; L360-S363 CarbonylContact O-C 3.55Å; L360-S363 PolarHBondContact O-N 3.47Å; L360-S363 PolarHBondContact O-OG 2.83Å; E361-S363 VanDerWaalsContact C-N 3.34Å
364	I	89.8	Confident	88.6	Confident	14 Å²	14	69.1 Å²	69.1	7%	0.072	38%	0.38	C	S	.	.	S	Bend	trans	-112.7	109.1	-175.5	-56.3	-179.2	0	0	0	108.4	L286 L288 L360 G366 L367	L286-I364 HydrophobicContact CD2-CD1 4.3Å; L288-I364 HydrophobicContact CD1-CD1 4.07Å; L288-I364 HydrophobicContact CD1-CG1 3.83Å; L288-I364 HydrophobicContact CD1-CG2 4.16Å; L288-I364 HydrophobicContact CG-CD1 4.25Å; L288-I364 HydrophobicContact CG-CG1 4.46Å; L360-I364 HydrophobicContact CD2-CD1 4.3Å; L360-I364 PolarHBondContact O-N 3.36Å; I364-G366 PolarHBondContact O-N 2.68Å; I364-L367 HydrophobicContact CB-CB 3.84Å; I364-L367 HydrophobicContact CB-CD2 4Å; I364-L367 HydrophobicContact CD1-CD2 4.01Å; I364-L367 HydrophobicContact CG1-CD2 4.41Å; I364-L367 HydrophobicContact CG2-CB 3.86Å; I364-L367 HydrophobicContact CG2-CD2 4.41Å; I364-L367 VanDerWaalsContact O-CB 3.32Å; I364-L367 WeakPolarHBondContact O-CB 3.26Å; I364-L367 PolarHBondContact O-N 3.02Å; I364-L367 VanDerWaalsContact O-N 3.13Å
365	Q	86.6	Confident	88.1	Confident	198 Å²	198	71.8 Å²	71.8	93%	0.925	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	128.9	-178.1	-173.2	177.4	2.1	0	0	111.1	L367	Q365-L367 PolarHBondContact O-N 3.41Å
366	G	83.4	Confident	87.5	Confident	74 Å²	74	76.6 Å²	76.6	76%	0.763	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-2.2	178.7	0	0	0	0	0	114.9	I364 R368	I364-G366 PolarHBondContact O-N 2.68Å; G366-R368 PolarHBondContact O-N 2.8Å
367	L	89	Confident	86.9	Confident	5 Å²	5	79.4 Å²	79.4	3%	0.026	44%	0.437	C	S	.	.			trans	-70.9	125.2	174.4	-168.8	71.2	0	0	0	110.3	L271 V283 L286 L360 E361 I364 Q365	L271-L367 HydrophobicContact CD2-CD1 3.49Å; L271-L367 VanDerWaalsContact CD2-CD1 3.49Å; L271-L367 HydrophobicContact CD2-CG 4.49Å; V283-L367 HydrophobicContact CG1-CD1 4.01Å; L286-L367 HydrophobicContact CD2-CD1 4.44Å; L286-L367 HydrophobicContact CD2-CD2 3.99Å; L360-L367 HydrophobicContact CB-CD2 4.04Å; E361-L367 HydrophobicContact CG-CD2 4.45Å; E361-L367 HydrophobicContact CG-CG 4.47Å; I364-L367 HydrophobicContact CB-CB 3.84Å; I364-L367 HydrophobicContact CB-CD2 4Å; I364-L367 HydrophobicContact CD1-CD2 4.01Å; I364-L367 HydrophobicContact CG1-CD2 4.41Å; I364-L367 HydrophobicContact CG2-CB 3.86Å; I364-L367 HydrophobicContact CG2-CD2 4.41Å; I364-L367 VanDerWaalsContact O-CB 3.32Å; I364-L367 WeakPolarHBondContact O-CB 3.26Å; I364-L367 PolarHBondContact O-N 3.02Å; I364-L367 VanDerWaalsContact O-N 3.13Å; Q365-L367 PolarHBondContact O-N 3.41Å
368	R	81.9	Confident	86.3	Confident	153 Å²	153	84.8 Å²	84.8	58%	0.577	47%	0.468	S	S	*	.			trans	-134.5	144.2	170	-64.7	-65.6	-178.5	-150.5	-0.9	107.9	R273 E361 G366	R273-R368 VanDerWaalsContact NH2-C 3.26Å; R273-R368 PolarHBondContact NH2-O 2.64Å; E361-R368 WeakPolarHBondContact OE1-CA 3.44Å; G366-R368 PolarHBondContact O-N 2.8Å
369	I	75.5	Confident	85.6	Confident	10 Å²	10	77.8 Å²	77.8	5%	0.051	45%	0.446	C	S	.	.			trans	-117.4	-29.1	177	-62.3	-178.8	0	0	0	111.4	V255 C259 L271 F357 E361	V255-I369 HydrophobicContact CG2-CG2 4.42Å; C259-I369 HydrophobicContact CB-CG2 4.23Å; C259-I369 PolarHBondContact SG-O 2.77Å; L271-I369 HydrophobicContact CD1-CD1 4.47Å; L271-I369 HydrophobicContact CD2-CD1 4.39Å; L271-I369 HydrophobicContact CD2-CG1 3.99Å; F357-I369 HydrophobicContact CB-CD1 3.92Å; F357-I369 HydrophobicContact CD1-CD1 2.9Å; F357-I369 HydrophobicContact CD1-CG1 4.4Å; F357-I369 HydrophobicContact CD2-CD1 4.12Å; F357-I369 HydrophobicContact CE1-CD1 3.17Å; F357-I369 HydrophobicContact CE2-CD1 4.32Å; F357-I369 HydrophobicContact CG-CD1 3.41Å; F357-I369 VanDerWaalsContact CG-CD1 3.41Å; F357-I369 HydrophobicContact CZ-CD1 3.88Å; E361-I369 PolarHBondContact OE1-N 2.86Å
370	M	61.3	Low	84.9	Confident	201 Å²	201	79.6 Å²	79.6	99%	0.99	45%	0.449	S	S	*	.			trans	-99.4	0	164.6	-70.5	-170.1	-90.1	0	0	111.2

Retrieved 370 of 370 residues in 197 ms (Link to these results)

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