A0A093HV31_STRCA 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 , UniProt , Accession A0A093HV31, Species STRCA (Struthio camelus australis), Gene n/a, Length 370 aa.

Structure Viewer

Loading PAE data...

(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	78.7	Confident	87.6	Confident	71 Å²	71	48 Å²	48	35%	0.35	25%	0.25	S	C	.	.				0	134.6	0	-61.5	175.1	-81.2	0	0	108.3	L322 I354 W355 L360	M1-L322 HydrophobicContact CB-CD1 4.01Å; M1-L322 HydrophobicContact SD-CD1 3.97Å; M1-I354 CarbonylContact C-O 3.6Å; M1-I354 VanDerWaalsContact CA-O 3.24Å; M1-I354 WeakPolarHBondContact CA-O 3.32Å; M1-W355 HydrophobicContact CG-CD2 4.49Å; M1-W355 HydrophobicContact CG-CE3 3.73Å; M1-W355 HydrophobicContact CG-CZ3 4.09Å; M1-W355 HydrophobicContact SD-CE3 3.51Å; M1-W355 VanDerWaalsContact SD-CE3 3.51Å; M1-W355 HydrophobicContact SD-CH2 4.3Å; M1-W355 HydrophobicContact SD-CZ3 3.28Å; M1-W355 WeakPolarHBondContact SD-CZ3 3.29Å; M1-L360 HydrophobicContact CG-CD2 4.42Å; M1-L360 HydrophobicContact SD-CD2 4.09Å
2	S	81.7	Confident	88.1	Confident	68 Å²	68	47.7 Å²	47.7	48%	0.476	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.9	175.7	59.4	0	0	0	0	110.5	T353 I354	S2-T353 WeakPolarHBondContact O-CA 3.26Å; S2-I354 PolarHBondContact N-O 3.28Å; S2-I354 PolarHBondContact O-N 3.24Å
3	L	88.4	Confident	88.8	Confident	32 Å²	32	44.4 Å²	44.4	17%	0.168	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.2	174.8	177.9	77.7	0	0	0	110	R295 A351 M352 T353	L3-R295 PolarHBondContact O-NH2 2.92Å; L3-A351 HydrophobicContact CD1-CB 3.66Å; L3-M352 CarbonylContact C-O 3.58Å; L3-M352 WeakPolarHBondContact CA-O 3.35Å; L3-T353 WeakPolarHBondContact CD1-OG1 3.36Å
4	H	89.4	Confident	89.5	Confident	52 Å²	52	41.3 Å²	41.3	24%	0.241	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.4	172	-169.6	74	0	0	0	110.7	F6 W42 A351 M352	H4-F6 AromaticContact CD2-CD1 3.64Å; H4-F6 AromaticContact CD2-CD2 3.93Å; H4-F6 AromaticContact CD2-CE1 3.55Å; H4-F6 AromaticContact CD2-CE2 3.85Å; H4-F6 AromaticContact CD2-CG 3.83Å; H4-F6 AromaticContact CD2-CZ 3.65Å; H4-F6 AromaticContact NE2-CD1 3.83Å; H4-F6 AromaticContact NE2-CE1 3.82Å; H4-W42 AromaticContact CD2-CD1 3.51Å; H4-W42 AromaticContact CE1-CD1 3.83Å; H4-W42 AromaticContact CG-CD1 3.51Å; H4-W42 AromaticContact ND1-CD1 3.71Å; H4-W42 AromaticContact NE2-CD1 3.7Å; H4-W42 AromaticContact NE2-CG 3.99Å; H4-A351 WeakPolarHBondContact O-CA 3.32Å; H4-M352 HydrophobicContact CB-CE 4.44Å; H4-M352 PolarHBondContact N-O 3.46Å; H4-M352 PolarHBondContact O-N 2.83Å
5	Q	90.1	Very high	90.1	Very high	83 Å²	83	38.9 Å²	38.9	39%	0.388	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.4	176.4	-167	71.4	48.5	0	0	108.5	L7 D349 G350	Q5-L7 PolarHBondContact NE2-O 3.49Å; Q5-D349 PolarHBondContact NE2-O 3.07Å; Q5-G350 VanDerWaalsContact NE2-C 3.33Å; Q5-G350 PolarHBondContact NE2-O 3.12Å
6	F	86.1	Confident	90.6	Very high	25 Å²	25	37.1 Å²	37.1	11%	0.11	20%	0.196	C	C	.	.			trans	-86.2	-42.9	177.2	-76.7	-72.5	0	0	0	111.8	H4 I11 I23 I25 Y35 W42 G350 M352	H4-F6 AromaticContact CD2-CD1 3.64Å; H4-F6 AromaticContact CD2-CD2 3.93Å; H4-F6 AromaticContact CD2-CE1 3.55Å; H4-F6 AromaticContact CD2-CE2 3.85Å; H4-F6 AromaticContact CD2-CG 3.83Å; H4-F6 AromaticContact CD2-CZ 3.65Å; H4-F6 AromaticContact NE2-CD1 3.83Å; H4-F6 AromaticContact NE2-CE1 3.82Å; F6-I11 HydrophobicContact CD2-CD1 4.1Å; F6-I23 HydrophobicContact CE2-CG2 4.34Å; F6-I23 HydrophobicContact CZ-CG2 3.76Å; F6-I25 HydrophobicContact CB-CD1 3.84Å; F6-I25 HydrophobicContact CD1-CD1 4.26Å; F6-I25 HydrophobicContact CD2-CD1 4.09Å; F6-I25 HydrophobicContact CG-CD1 3.83Å; F6-Y35 AromaticContact CD1-CD1 3.67Å; F6-Y35 HydrophobicContact CD1-CD1 3.67Å; F6-Y35 AromaticContact CD1-CD2 3.91Å; F6-Y35 HydrophobicContact CD1-CD2 3.91Å; F6-Y35 AromaticContact CD1-CE1 3.65Å; F6-Y35 HydrophobicContact CD1-CE1 3.65Å; F6-Y35 AromaticContact CD1-CE2 3.91Å; F6-Y35 HydrophobicContact CD1-CE2 3.91Å; F6-Y35 AromaticContact CD1-CG 3.8Å; F6-Y35 HydrophobicContact CD1-CG 3.8Å; F6-Y35 AromaticContact CD1-CZ 3.78Å; F6-Y35 AromaticContact CE1-CD1 3.5Å; F6-Y35 HydrophobicContact CE1-CD1 3.5Å; F6-Y35 AromaticContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CE1 4Å; F6-Y35 HydrophobicContact CE1-CE2 4.3Å; F6-Y35 AromaticContact CE1-CG 3.39Å; F6-Y35 HydrophobicContact CE1-CG 3.39Å; F6-Y35 HydrophobicContact CZ-CG 4.35Å; F6-W42 HydrophobicContact CD1-CB 4.47Å; F6-W42 HydrophobicContact CE1-CB 3.5Å; F6-W42 VanDerWaalsContact CE1-CB 3.5Å; F6-W42 HydrophobicContact CE1-CD2 4.34Å; F6-W42 AromaticContact CE1-CG 3.79Å; F6-W42 HydrophobicContact CE1-CG 3.79Å; F6-W42 HydrophobicContact CZ-CB 4.02Å; F6-W42 HydrophobicContact CZ-CD2 4.02Å; F6-W42 HydrophobicContact CZ-CE3 4.49Å; F6-W42 AromaticContact CZ-CG 3.77Å; F6-W42 HydrophobicContact CZ-CG 3.77Å; F6-G350 PolarHBondContact N-O 3.19Å; F6-G350 VanDerWaalsContact N-O 3.14Å; F6-M352 HydrophobicContact CD2-CB 3.97Å; F6-M352 HydrophobicContact CE2-CB 3.62Å; F6-M352 HydrophobicContact CE2-CE 3.82Å; F6-M352 HydrophobicContact CE2-CG 4.27Å; F6-M352 HydrophobicContact CZ-CE 4.05Å
7	L	85.1	Confident	91	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.115	19%	0.188	C	C	.	.			trans	-141.7	172.2	-165.6	-40.2	161	0	0	0	109.2	Q5 I11 I25 P27 G350	Q5-L7 PolarHBondContact NE2-O 3.49Å; L7-I11 HydrophobicContact CD1-CG1 3.86Å; L7-I25 HydrophobicContact CD1-CD1 4.12Å; L7-I25 HydrophobicContact CG-CD1 4.4Å; L7-P27 HydrophobicContact CD1-CB 3.26Å; L7-P27 HydrophobicContact CD2-CB 3.91Å; L7-P27 HydrophobicContact CG-CB 4.19Å; L7-G350 PolarHBondContact N-O 2.9Å
8	L	84.7	Confident	91.2	Very high	41 Å²	41	42.8 Å²	42.8	22%	0.215	21%	0.212	C	C	.	.	S	Bend	trans	-97.1	-18	160.6	-67.5	-174.8	0	0	0	111.8	K308	L8-K308 HydrophobicContact CD1-CB 3.4Å; L8-K308 VanDerWaalsContact CD1-CB 3.4Å; L8-K308 HydrophobicContact CD1-CD 3.35Å; L8-K308 HydrophobicContact CD1-CG 4.03Å; L8-K308 HydrophobicContact CG-CD 4.27Å
9	E	89.1	Confident	91.4	Very high	102 Å²	102	45.8 Å²	45.8	48%	0.477	23%	0.229	S	C	.	.	S	Bend	trans	-79.6	156.5	177.7	-58.8	80.4	180	0	0	111.5	G350	E9-G350 WeakPolarHBondContact O-CA 3.38Å; E9-G350 PolarHBondContact O-N 3.04Å
10	P	93.6	Very high	91.5	Very high	32 Å²	32	46.9 Å²	46.9	21%	0.208	23%	0.23	C	C	.	.			trans	-57.2	140.9	179.1	-25.7	34.9	0	0	0	113.7	P27 N28 I348	P10-P27 CarbonylContact O-C 3.56Å; P10-N28 HydrophobicContact CB-CB 4.01Å; P10-N28 HydrophobicContact CG-CB 4.23Å; P10-N28 WeakPolarHBondContact O-CB 3.45Å; P10-N28 PolarHBondContact O-N 3.21Å; P10-N28 VanDerWaalsContact O-N 3.09Å; P10-I348 VanDerWaalsContact CA-O 3.28Å; P10-I348 WeakPolarHBondContact CA-O 3.48Å; P10-I348 HydrophobicContact CB-CB 4.38Å; P10-I348 HydrophobicContact CB-CG2 4.04Å; P10-I348 HydrophobicContact CG-CG2 3.74Å
11	I	96.8	Very high	91.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.			trans	-87.1	108.5	159.8	-65.7	169.3	0	0	0	107	F6 L7 I25 S26 T328 T346 G347	F6-I11 HydrophobicContact CD2-CD1 4.1Å; L7-I11 HydrophobicContact CD1-CG1 3.86Å; I11-I25 HydrophobicContact CD1-CD1 4.23Å; I11-I25 HydrophobicContact CG1-CD1 4.32Å; I11-I25 HydrophobicContact CG2-CB 4.16Å; I11-I25 HydrophobicContact CG2-CG2 4.27Å; I11-S26 WeakPolarHBondContact CA-O 3.49Å; I11-T328 PolarHBondContact O-OG1 2.94Å; I11-T346 HydrophobicContact CD1-CG2 4.34Å; I11-T346 HydrophobicContact CG2-CG2 4.17Å; I11-G347 PolarHBondContact N-O 3.18Å; I11-G347 VanDerWaalsContact N-O 3.08Å
12	T	94	Very high	92.5	Very high	44 Å²	44	45.2 Å²	45.2	27%	0.27	23%	0.225	S	C	.	.			trans	-75.3	-34.9	-177.4	57.2	0	0	0	0	112.2	S26 N28 I55	T12-S26 PolarHBondContact N-O 3.21Å; T12-S26 WeakPolarHBondContact OG1-CB 3.33Å; T12-S26 PolarHBondContact OG1-O 2.63Å; T12-S26 PolarHBondContact OG1-OG 3.28Å; T12-N28 HydrophobicContact CG2-CB 4Å; T12-N28 WeakPolarHBondContact CG2-OD1 3.48Å; T12-I55 PolarHBondContact OG1-O 3.01Å
13	C	96.9	Very high	93.3	Very high	5 Å²	5	42 Å²	42	3%	0.034	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	158.7	176.9	50.7	0	0	0	0	110.5	S26 Q329	C13-S26 PolarHBondContact O-N 2.96Å; C13-Q329 VanDerWaalsContact CA-OE1 3.28Å
14	H	98.4	Very high	93.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.9	175.4	76.5	-80.6	0	0	0	113.5	W16 I23 A24 I25 Q329 S331 T346	H14-W16 AromaticContact CD2-CD1 3.71Å; H14-W16 AromaticContact CD2-NE1 3.61Å; H14-W16 AromaticContact NE2-CD1 3.91Å; H14-W16 AromaticContact NE2-NE1 3.74Å; H14-I23 HydrophobicContact CB-CD1 4.1Å; H14-I23 HydrophobicContact CB-CG1 4.26Å; H14-A24 CarbonylContact C-O 3.52Å; H14-A24 WeakPolarHBondContact CA-O 3.41Å; H14-A24 WeakPolarHBondContact CB-O 2.83Å; H14-I25 HydrophobicContact CB-CG2 3.9Å; H14-Q329 VanDerWaalsContact CE1-CD 3.45Å; H14-Q329 PolarHBondContact ND1-OE1 3.19Å; H14-Q329 PolarHBondContact O-NE2 3.03Å; H14-S331 PolarHBondContact CE1-OG 3.43Å; H14-S331 PolarHBondContact NE2-OG 3.14Å; H14-T346 HydrophobicContact CB-CG2 4.22Å; H14-T346 WeakPolarHBondContact ND1-CG2 3.25Å; H14-T346 PolarHBondContact ND1-OG1 3.12Å
15	A	98.6	Very high	94.2	Very high	6 Å²	6	38 Å²	38	5%	0.05	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.6	168.6	0	0	0	0	0	111.3	I23 A24 I58 W60	A15-I23 WeakPolarHBondContact O-CA 3.15Å; A15-A24 PolarHBondContact N-O 2.79Å; A15-A24 PolarHBondContact O-N 3.48Å; A15-I58 HydrophobicContact CB-CB 4.38Å; A15-I58 HydrophobicContact CB-CG2 3.75Å; A15-W60 HydrophobicContact CB-CB 3.8Å
16	W	98.2	Very high	94.5	Very high	10 Å²	10	34 Å²	34	4%	0.038	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.3	178.7	-74	98	0	0	0	110.3	H14 R20 Q22 I23 W42 Y333 C344 M352	H14-W16 AromaticContact CD2-CD1 3.71Å; H14-W16 AromaticContact CD2-NE1 3.61Å; H14-W16 AromaticContact NE2-CD1 3.91Å; H14-W16 AromaticContact NE2-NE1 3.74Å; W16-R20 VanDerWaalsContact CB-NH1 3.33Å; W16-R20 HydrophobicContact CE3-CB 4.13Å; W16-R20 WeakPolarHBondContact CZ3-O 3.34Å; W16-R20 PolarHBondContact O-NH1 2.77Å; W16-Q22 VanDerWaalsContact CE3-O 3.22Å; W16-I23 HydrophobicContact CD2-CB 4.05Å; W16-I23 HydrophobicContact CD2-CD1 4.48Å; W16-I23 HydrophobicContact CD2-CG1 4.13Å; W16-I23 HydrophobicContact CE3-CB 3.83Å; W16-I23 HydrophobicContact CE3-CG1 4.42Å; W16-I23 HydrophobicContact CH2-CB 3.78Å; W16-I23 HydrophobicContact CH2-CD1 4.18Å; W16-I23 HydrophobicContact CH2-CG1 4.35Å; W16-I23 HydrophobicContact CH2-CG2 4.2Å; W16-I23 HydrophobicContact CZ2-CB 4.04Å; W16-I23 HydrophobicContact CZ2-CD1 3.63Å; W16-I23 HydrophobicContact CZ2-CG1 4.08Å; W16-I23 HydrophobicContact CZ3-CB 3.69Å; W16-I23 HydrophobicContact CZ3-CG2 4.35Å; W16-W42 AromaticContact CH2-CH2 3.48Å; W16-W42 HydrophobicContact CH2-CH2 3.48Å; W16-W42 VanDerWaalsContact CH2-CH2 3.48Å; W16-W42 AromaticContact CH2-CZ2 3.66Å; W16-W42 HydrophobicContact CH2-CZ2 3.66Å; W16-W42 HydrophobicContact CH2-CZ3 4.27Å; W16-W42 AromaticContact CZ3-CH2 3.38Å; W16-W42 HydrophobicContact CZ3-CH2 3.38Å; W16-W42 HydrophobicContact CZ3-CZ2 4.04Å; W16-W42 HydrophobicContact CZ3-CZ3 4.02Å; W16-Y333 HydrophobicContact CD2-CD2 4.18Å; W16-Y333 HydrophobicContact CD2-CE2 4.13Å; W16-Y333 AromaticContact CE2-CD2 3.79Å; W16-Y333 AromaticContact CE2-CE2 3.89Å; W16-Y333 HydrophobicContact CE3-CE2 4.07Å; W16-Y333 HydrophobicContact CH2-CD2 4.3Å; W16-Y333 AromaticContact CH2-CE2 3.59Å; W16-Y333 HydrophobicContact CH2-CE2 3.59Å; W16-Y333 AromaticContact CZ2-CD2 3.85Å; W16-Y333 HydrophobicContact CZ2-CD2 3.85Å; W16-Y333 AromaticContact CZ2-CE2 3.62Å; W16-Y333 HydrophobicContact CZ2-CE2 3.62Å; W16-Y333 AromaticContact CZ3-CE2 3.81Å; W16-Y333 HydrophobicContact CZ3-CE2 3.81Å; W16-C344 PolarHBondContact NE1-SG 2.9Å; W16-C344 VanDerWaalsContact NE1-SG 3.4Å; W16-M352 HydrophobicContact CH2-CE 4Å; W16-M352 HydrophobicContact CZ2-CE 4.02Å; W16-M352 HydrophobicContact CZ2-SD 4.13Å
17	N	97.3	Very high	95	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.053	16%	0.163	C	C	.	.			trans	-67.3	172.7	168.2	79.2	-29.1	0	0	0	111.1	D19 R20 T21 Q22 W60	N17-D19 PolarHBondContact ND2-OD1 3.26Å; N17-D19 PolarHBondContact O-N 3Å; N17-D19 PolarHBondContact OD1-OD1 3.37Å; N17-D19 VanDerWaalsContact OD1-OD1 3.06Å; N17-R20 PolarHBondContact O-N 3.1Å; N17-R20 PolarHBondContact O-NH1 3.3Å; N17-R20 WeakPolarHBondContact OD1-CA 3.33Å; N17-R20 PolarHBondContact OD1-N 3.23Å; N17-R20 VanDerWaalsContact OD1-N 3.15Å; N17-T21 PolarHBondContact ND2-OG1 2.93Å; N17-T21 PolarHBondContact OD1-N 3.29Å; N17-T21 VanDerWaalsContact OD1-N 3.07Å; N17-Q22 HydrophobicContact CB-CB 4.36Å; N17-Q22 PolarHBondContact N-O 2.99Å; N17-Q22 VanDerWaalsContact N-O 3.14Å; N17-Q22 PolarHBondContact OD1-N 2.97Å; N17-Q22 PolarHBondContact OD1-O 3.09Å; N17-W60 HydrophobicContact CB-CD2 3.76Å; N17-W60 HydrophobicContact CB-CE3 3.98Å; 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 4.02Å
18	R	95.3	Very high	95.5	Very high	167 Å²	167	35.5 Å²	35.5	63%	0.63	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-49.1	-172.9	-172.1	-170.1	-176.6	122.6	-6.4	114.2	R20 P62	R18-R20 VanDerWaalsContact C-N 3.33Å; R18-P62 HydrophobicContact CB-CB 3.93Å; R18-P62 VanDerWaalsContact CB-O 3.28Å; R18-P62 WeakPolarHBondContact CB-O 3.31Å; R18-P62 VanDerWaalsContact CD-O 3.23Å; R18-P62 WeakPolarHBondContact CD-O 3.32Å; R18-P62 HydrophobicContact CG-CB 3.99Å; R18-P62 WeakPolarHBondContact CG-O 3.44Å; R18-P62 PolarHBondContact NH1-O 3.1Å
19	D	93.7	Very high	95.9	Very high	100 Å²	100	35.4 Å²	35.4	54%	0.535	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.7	-172	66.6	0.8	0	0	0	113.3	N17 T21	N17-D19 PolarHBondContact ND2-OD1 3.26Å; N17-D19 PolarHBondContact O-N 3Å; N17-D19 PolarHBondContact OD1-OD1 3.37Å; N17-D19 VanDerWaalsContact OD1-OD1 3.06Å; D19-T21 HydrophobicContact CB-CG2 4.27Å; D19-T21 VanDerWaalsContact CG-OG1 3.25Å; D19-T21 PolarHBondContact O-N 3.36Å; D19-T21 WeakPolarHBondContact OD1-CB 3.33Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.48Å; D19-T21 PolarHBondContact OD1-N 2.86Å; D19-T21 PolarHBondContact OD1-OG1 3.47Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T21 PolarHBondContact OD2-OG1 2.76Å
20	R	94.6	Very high	96.3	Very high	66 Å²	66	34.6 Å²	34.6	25%	0.249	17%	0.17	C	C	.	.	S	Bend	trans	59.1	23.9	-178.4	-47	-57.6	-176.1	-143.4	8.9	113.7	W16 N17 R18 I332 Y333	W16-R20 VanDerWaalsContact CB-NH1 3.33Å; W16-R20 HydrophobicContact CE3-CB 4.13Å; W16-R20 WeakPolarHBondContact CZ3-O 3.34Å; W16-R20 PolarHBondContact O-NH1 2.77Å; N17-R20 PolarHBondContact O-N 3.1Å; N17-R20 PolarHBondContact O-NH1 3.3Å; N17-R20 WeakPolarHBondContact OD1-CA 3.33Å; N17-R20 PolarHBondContact OD1-N 3.23Å; N17-R20 VanDerWaalsContact OD1-N 3.15Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R20-I332 PolarHBondContact NH2-O 3.19Å; R20-Y333 HydrophobicContact CB-CD2 4.44Å; R20-Y333 HydrophobicContact CB-CE1 4.34Å; R20-Y333 HydrophobicContact CB-CE2 3.83Å; R20-Y333 WeakPolarHBondContact CD-O 3.36Å; R20-Y333 HydrophobicContact CG-CD2 4.45Å; R20-Y333 HydrophobicContact CG-CE2 4.31Å; R20-Y333 VanDerWaalsContact CG-O 3.26Å; R20-Y333 WeakPolarHBondContact CG-O 3.41Å; R20-Y333 PolarHBondContact NE-O 2.88Å
21	T	94.6	Very high	96.5	Very high	51 Å²	51	34 Å²	34	31%	0.313	16%	0.164	S	C	.	.	S	Bend	trans	-84.1	-18.7	174.2	63.5	0	0	0	0	112.5	N17 D19 K37	N17-T21 PolarHBondContact ND2-OG1 2.93Å; N17-T21 PolarHBondContact OD1-N 3.29Å; N17-T21 VanDerWaalsContact OD1-N 3.07Å; D19-T21 HydrophobicContact CB-CG2 4.27Å; D19-T21 VanDerWaalsContact CG-OG1 3.25Å; D19-T21 PolarHBondContact O-N 3.36Å; D19-T21 WeakPolarHBondContact OD1-CB 3.33Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.48Å; D19-T21 PolarHBondContact OD1-N 2.86Å; D19-T21 PolarHBondContact OD1-OG1 3.47Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T21 PolarHBondContact OD2-OG1 2.76Å; T21-K37 PolarHBondContact O-N 3.34Å; T21-K37 VanDerWaalsContact O-N 3.09Å
22	Q	96.9	Very high	96.6	Very high	33 Å²	33	34 Å²	34	15%	0.154	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.2	179.4	-58	-176	43.3	0	0	112.4	W16 N17 I34 Y35 K36 W60	W16-Q22 VanDerWaalsContact CE3-O 3.22Å; N17-Q22 HydrophobicContact CB-CB 4.36Å; N17-Q22 PolarHBondContact N-O 2.99Å; N17-Q22 VanDerWaalsContact N-O 3.14Å; N17-Q22 PolarHBondContact OD1-N 2.97Å; N17-Q22 PolarHBondContact OD1-O 3.09Å; Q22-I34 HydrophobicContact CB-CG2 4.1Å; Q22-I34 VanDerWaalsContact OE1-CG2 3.27Å; Q22-Y35 CarbonylContact C-O 3.58Å; Q22-Y35 WeakPolarHBondContact CA-O 3.28Å; Q22-K36 HydrophobicContact CG-CB 4.1Å; Q22-K36 HydrophobicContact CG-CG 4.12Å; Q22-W60 HydrophobicContact CB-CH2 3.82Å; Q22-W60 HydrophobicContact CB-CZ3 4.09Å
23	I	98	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.7	172.1	-171.2	-178.8	0	0	0	109.5	F6 H14 A15 W16 I25 I34 Y35 W42 M352	F6-I23 HydrophobicContact CE2-CG2 4.34Å; F6-I23 HydrophobicContact CZ-CG2 3.76Å; H14-I23 HydrophobicContact CB-CD1 4.1Å; H14-I23 HydrophobicContact CB-CG1 4.26Å; A15-I23 WeakPolarHBondContact O-CA 3.15Å; W16-I23 HydrophobicContact CD2-CB 4.05Å; W16-I23 HydrophobicContact CD2-CD1 4.48Å; W16-I23 HydrophobicContact CD2-CG1 4.13Å; W16-I23 HydrophobicContact CE3-CB 3.83Å; W16-I23 HydrophobicContact CE3-CG1 4.42Å; W16-I23 HydrophobicContact CH2-CB 3.78Å; W16-I23 HydrophobicContact CH2-CD1 4.18Å; W16-I23 HydrophobicContact CH2-CG1 4.35Å; W16-I23 HydrophobicContact CH2-CG2 4.2Å; W16-I23 HydrophobicContact CZ2-CB 4.04Å; W16-I23 HydrophobicContact CZ2-CD1 3.63Å; W16-I23 HydrophobicContact CZ2-CG1 4.08Å; W16-I23 HydrophobicContact CZ3-CB 3.69Å; W16-I23 HydrophobicContact CZ3-CG2 4.35Å; I23-I25 HydrophobicContact CD1-CG2 3.72Å; I23-I25 HydrophobicContact CG1-CG2 3.84Å; I23-I34 CarbonylContact O-C 3.56Å; I23-I34 WeakPolarHBondContact O-CA 3.49Å; I23-Y35 PolarHBondContact N-O 2.95Å; I23-Y35 PolarHBondContact O-N 3.22Å; I23-W42 HydrophobicContact CG2-CE3 4.03Å; I23-W42 HydrophobicContact CG2-CZ3 4.01Å; I23-M352 HydrophobicContact CD1-CG 4.15Å
24	A	98.5	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.5	168.4	0	0	0	0	0	108.7	H14 A15 V32 H33 I34 I58 W60 I67	H14-A24 CarbonylContact C-O 3.52Å; H14-A24 WeakPolarHBondContact CA-O 3.41Å; H14-A24 WeakPolarHBondContact CB-O 2.83Å; A15-A24 PolarHBondContact N-O 2.79Å; A15-A24 PolarHBondContact O-N 3.48Å; A24-V32 HydrophobicContact CB-CG1 3.76Å; A24-H33 WeakPolarHBondContact CA-O 3.47Å; A24-I34 HydrophobicContact CB-CG1 4.14Å; A24-I58 HydrophobicContact CB-CG2 4.15Å; A24-W60 HydrophobicContact CB-CE3 3.85Å; A24-W60 HydrophobicContact CB-CZ3 3.83Å; A24-I67 HydrophobicContact CB-CD1 4.41Å
25	I	98.1	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.3	177.5	65.5	176.2	0	0	0	110.8	F6 L7 I11 H14 I23 V32 H33 Y35	F6-I25 HydrophobicContact CB-CD1 3.84Å; F6-I25 HydrophobicContact CD1-CD1 4.26Å; F6-I25 HydrophobicContact CD2-CD1 4.09Å; F6-I25 HydrophobicContact CG-CD1 3.83Å; L7-I25 HydrophobicContact CD1-CD1 4.12Å; L7-I25 HydrophobicContact CG-CD1 4.4Å; I11-I25 HydrophobicContact CD1-CD1 4.23Å; I11-I25 HydrophobicContact CG1-CD1 4.32Å; I11-I25 HydrophobicContact CG2-CB 4.16Å; I11-I25 HydrophobicContact CG2-CG2 4.27Å; H14-I25 HydrophobicContact CB-CG2 3.9Å; I23-I25 HydrophobicContact CD1-CG2 3.72Å; I23-I25 HydrophobicContact CG1-CG2 3.84Å; I25-V32 WeakPolarHBondContact O-CA 3.32Å; I25-H33 HydrophobicContact CG1-CB 4.25Å; I25-H33 PolarHBondContact N-O 2.74Å; I25-H33 PolarHBondContact O-N 3.32Å; I25-Y35 HydrophobicContact CD1-CD2 4.02Å; I25-Y35 HydrophobicContact CD1-CE2 3.64Å; I25-Y35 HydrophobicContact CG1-CD2 4.16Å; I25-Y35 HydrophobicContact CG1-CE2 3.98Å
26	S	97.1	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.4	166.4	163.3	0	0	0	0	109.6	I11 T12 C13 N28 I55	I11-S26 WeakPolarHBondContact CA-O 3.49Å; T12-S26 PolarHBondContact N-O 3.21Å; T12-S26 WeakPolarHBondContact OG1-CB 3.33Å; T12-S26 PolarHBondContact OG1-O 2.63Å; T12-S26 PolarHBondContact OG1-OG 3.28Å; C13-S26 PolarHBondContact O-N 2.96Å; S26-N28 PolarHBondContact O-N 3.07Å; S26-I55 PolarHBondContact OG-O 3Å
27	P	95.1	Very high	96.3	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.071	20%	0.198	C	C	.	.			trans	-82.8	49.4	-177	36.9	-37.6	0	0	0	111.8	L7 P10 N29 E31	L7-P27 HydrophobicContact CD1-CB 3.26Å; L7-P27 HydrophobicContact CD2-CB 3.91Å; L7-P27 HydrophobicContact CG-CB 4.19Å; P10-P27 CarbonylContact O-C 3.56Å; P27-N29 WeakPolarHBondContact CD-OD1 3.34Å; P27-N29 VanDerWaalsContact CG-OD1 3.31Å; P27-N29 WeakPolarHBondContact CG-OD1 3.41Å; P27-N29 PolarHBondContact O-N 2.95Å; P27-E31 WeakPolarHBondContact CD-O 3.33Å
28	N	95.1	Very high	95.9	Very high	67 Å²	67	46.2 Å²	46.2	36%	0.358	22%	0.222	S	C	.	.	S	Bend	trans	55.9	33	-177.3	-163.4	37.3	0	0	0	114.7	P10 T12 S26 H54	P10-N28 HydrophobicContact CB-CB 4.01Å; P10-N28 HydrophobicContact CG-CB 4.23Å; P10-N28 WeakPolarHBondContact O-CB 3.45Å; P10-N28 PolarHBondContact O-N 3.21Å; P10-N28 VanDerWaalsContact O-N 3.09Å; T12-N28 HydrophobicContact CG2-CB 4Å; T12-N28 WeakPolarHBondContact CG2-OD1 3.48Å; S26-N28 PolarHBondContact O-N 3.07Å; N28-H54 PolarHBondContact O-CE1 2.72Å; N28-H54 PolarHBondContact O-ND1 3.06Å
29	N	94.9	Very high	95.5	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.203	22%	0.222	C	C	.	.	S	Bend	trans	-137.7	-161	-179.8	74.5	1.4	0	0	0	111.1	P27 E31 H54 I55	P27-N29 WeakPolarHBondContact CD-OD1 3.34Å; P27-N29 VanDerWaalsContact CG-OD1 3.31Å; P27-N29 WeakPolarHBondContact CG-OD1 3.41Å; P27-N29 PolarHBondContact O-N 2.95Å; N29-E31 VanDerWaalsContact C-N 3.35Å; N29-E31 PolarHBondContact ND2-OE2 3.23Å; N29-E31 WeakPolarHBondContact OD1-CB 3.4Å; N29-E31 PolarHBondContact OD1-N 2.95Å; N29-E31 PolarHBondContact OD1-O 2.84Å; N29-H54 WeakPolarHBondContact O-CA 3.41Å; N29-I55 PolarHBondContact O-N 2.71Å
30	H	97	Very high	95	Very high	85 Å²	85	44 Å²	44	39%	0.394	24%	0.237	S	C	.	.	S	Bend	trans	-93.6	14.1	-178.2	63.5	-85.9	0	0	0	113.6	H51 G53	H30-H51 HydrophobicContact CB-CB 4.46Å; H30-H51 WeakPolarHBondContact CB-O 3.25Å; H30-H51 PolarHBondContact CD2-O 3.25Å; H30-G53 WeakPolarHBondContact CA-O 3.39Å; H30-G53 WeakPolarHBondContact CB-O 3.2Å
31	E	97.6	Very high	94.7	Very high	20 Å²	20	47.6 Å²	47.6	9%	0.093	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.2	-174.7	-53.4	178	155.7	0	0	111	P27 N29 H33 E47 L48 K49	P27-E31 WeakPolarHBondContact CD-O 3.33Å; N29-E31 VanDerWaalsContact C-N 3.35Å; N29-E31 PolarHBondContact ND2-OE2 3.23Å; N29-E31 WeakPolarHBondContact OD1-CB 3.4Å; N29-E31 PolarHBondContact OD1-N 2.95Å; N29-E31 PolarHBondContact OD1-O 2.84Å; E31-H33 IonicContact OE2-CD2 3.76Å; E31-H33 IonicContact OE2-CE1 2.69Å; E31-H33 IonicContact OE2-NE2 3.88Å; E31-H33 PolarHBondContact OE2-NE2 2.88Å; E31-E47 VanDerWaalsContact OE2-OE1 3.08Å; E31-L48 WeakPolarHBondContact CA-O 3.24Å; E31-K49 HydrophobicContact CG-CG 4.07Å; E31-K49 WeakPolarHBondContact OE1-CD 3.41Å; E31-K49 VanDerWaalsContact OE1-CE 3.26Å; E31-K49 WeakPolarHBondContact OE1-CE 3.26Å; E31-K49 IonicContact OE1-NZ 3.87Å; E31-K49 PolarHBondContact OE1-NZ 2.98Å
32	V	98.4	Very high	94.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.2	164.6	-179.4	0	0	0	0	109.4	A24 I25 I34 E47 L48 I55 I58 T69	A24-V32 HydrophobicContact CB-CG1 3.76Å; I25-V32 WeakPolarHBondContact O-CA 3.32Å; V32-I34 HydrophobicContact CG1-CG1 4.47Å; V32-E47 WeakPolarHBondContact O-CA 3.4Å; V32-L48 HydrophobicContact CB-CB 4.09Å; V32-L48 HydrophobicContact CB-CD2 4.4Å; V32-L48 PolarHBondContact N-O 2.79Å; V32-L48 PolarHBondContact O-N 3.14Å; V32-I55 HydrophobicContact CG2-CD1 3.38Å; V32-I55 HydrophobicContact CG2-CG2 4.4Å; V32-I58 HydrophobicContact CB-CD1 4.36Å; V32-I58 HydrophobicContact CG1-CD1 3.82Å; V32-I58 HydrophobicContact CG2-CD1 3.69Å; V32-I58 HydrophobicContact CG2-CG1 4.08Å; V32-T69 HydrophobicContact CG2-CG2 3.74Å
33	H	98.3	Very high	94.5	Very high	19 Å²	19	48.5 Å²	48.5	9%	0.088	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.1	174.4	-64.8	-175.5	0	0	0	108.7	A24 I25 E31 Y35 K44 E47	A24-H33 WeakPolarHBondContact CA-O 3.47Å; I25-H33 HydrophobicContact CG1-CB 4.25Å; I25-H33 PolarHBondContact N-O 2.74Å; I25-H33 PolarHBondContact O-N 3.32Å; E31-H33 IonicContact OE2-CD2 3.76Å; E31-H33 IonicContact OE2-CE1 2.69Å; E31-H33 IonicContact OE2-NE2 3.88Å; E31-H33 PolarHBondContact OE2-NE2 2.88Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.62Å; H33-K44 HydrophobicContact CB-CD 4.14Å; H33-K44 HydrophobicContact CB-CG 4.49Å; H33-E47 IonicContact NE2-OE1 2.91Å
34	I	98.3	Very high	94.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.9	176.2	-55.1	-179.3	0	0	0	108.4	Q22 I23 A24 V32 A45 H46 L48 W60 I67 W86	Q22-I34 HydrophobicContact CB-CG2 4.1Å; Q22-I34 VanDerWaalsContact OE1-CG2 3.27Å; I23-I34 CarbonylContact O-C 3.56Å; I23-I34 WeakPolarHBondContact O-CA 3.49Å; A24-I34 HydrophobicContact CB-CG1 4.14Å; V32-I34 HydrophobicContact CG1-CG1 4.47Å; I34-A45 PolarHBondContact O-N 3.14Å; I34-H46 HydrophobicContact CB-CB 4.04Å; I34-H46 HydrophobicContact CD1-CB 4.16Å; I34-H46 HydrophobicContact CG1-CB 4.31Å; I34-H46 PolarHBondContact N-O 2.75Å; I34-H46 PolarHBondContact O-N 3.22Å; I34-L48 HydrophobicContact CD1-CD1 3.64Å; I34-L48 HydrophobicContact CD1-CD2 4.28Å; I34-L48 HydrophobicContact CG1-CD1 4.07Å; I34-W60 HydrophobicContact CD1-CH2 4.18Å; I34-W60 HydrophobicContact CG2-CH2 3.83Å; I34-W60 HydrophobicContact CG2-CZ3 4.04Å; I34-I67 HydrophobicContact CD1-CD1 3.59Å; I34-I67 HydrophobicContact CG1-CD1 4.48Å; I34-W86 HydrophobicContact CD1-CD2 4.34Å; I34-W86 HydrophobicContact CD1-CZ2 4.05Å
35	Y	97.8	Very high	94.3	Very high	26 Å²	26	55.1 Å²	55.1	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.5	176.3	-71.5	-101.1	0	0	0	110.5	F6 Q22 I23 I25 H33 W42 V43 K44	F6-Y35 AromaticContact CD1-CD1 3.67Å; F6-Y35 HydrophobicContact CD1-CD1 3.67Å; F6-Y35 AromaticContact CD1-CD2 3.91Å; F6-Y35 HydrophobicContact CD1-CD2 3.91Å; F6-Y35 AromaticContact CD1-CE1 3.65Å; F6-Y35 HydrophobicContact CD1-CE1 3.65Å; F6-Y35 AromaticContact CD1-CE2 3.91Å; F6-Y35 HydrophobicContact CD1-CE2 3.91Å; F6-Y35 AromaticContact CD1-CG 3.8Å; F6-Y35 HydrophobicContact CD1-CG 3.8Å; F6-Y35 AromaticContact CD1-CZ 3.78Å; F6-Y35 AromaticContact CE1-CD1 3.5Å; F6-Y35 HydrophobicContact CE1-CD1 3.5Å; F6-Y35 AromaticContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CE1 4Å; F6-Y35 HydrophobicContact CE1-CE2 4.3Å; F6-Y35 AromaticContact CE1-CG 3.39Å; F6-Y35 HydrophobicContact CE1-CG 3.39Å; F6-Y35 HydrophobicContact CZ-CG 4.35Å; Q22-Y35 CarbonylContact C-O 3.58Å; Q22-Y35 WeakPolarHBondContact CA-O 3.28Å; I23-Y35 PolarHBondContact N-O 2.95Å; I23-Y35 PolarHBondContact O-N 3.22Å; I25-Y35 HydrophobicContact CD1-CD2 4.02Å; I25-Y35 HydrophobicContact CD1-CE2 3.64Å; I25-Y35 HydrophobicContact CG1-CD2 4.16Å; I25-Y35 HydrophobicContact CG1-CE2 3.98Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.62Å; Y35-W42 HydrophobicContact CD1-CB 4.18Å; Y35-V43 CarbonylContact C-O 3.58Å; Y35-V43 WeakPolarHBondContact CA-O 3.37Å; Y35-K44 HydrophobicContact CD1-CB 4.07Å; Y35-K44 HydrophobicContact CE1-CB 3.76Å
36	K	95.8	Very high	94.3	Very high	109 Å²	109	57.7 Å²	57.7	47%	0.474	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.6	173.3	-176	174.8	178.8	177.5	0	110	Q22 S38 V43 A45	Q22-K36 HydrophobicContact CG-CB 4.1Å; Q22-K36 HydrophobicContact CG-CG 4.12Å; K36-S38 PolarHBondContact O-N 3.49Å; K36-V43 PolarHBondContact N-O 2.83Å; K36-V43 PolarHBondContact O-N 2.95Å; K36-A45 HydrophobicContact CB-CB 4.18Å
37	K	90.4	Very high	94.3	Very high	99 Å²	99	61 Å²	61	43%	0.43	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.5	174.1	-162.1	174.2	-178.1	-179.6	0	110.5	T21 G39 W42	T21-K37 PolarHBondContact O-N 3.34Å; T21-K37 VanDerWaalsContact O-N 3.09Å; K37-G39 VanDerWaalsContact CE-O 3.26Å; K37-G39 WeakPolarHBondContact CE-O 3.23Å; K37-W42 HydrophobicContact CB-CD2 4.38Å; K37-W42 HydrophobicContact CB-CE3 4.11Å; K37-W42 HydrophobicContact CB-CH2 3.73Å; K37-W42 HydrophobicContact CB-CZ2 4.09Å; K37-W42 HydrophobicContact CB-CZ3 3.79Å; K37-W42 HydrophobicContact CD-CH2 4.34Å; K37-W42 HydrophobicContact CD-CZ2 4.06Å; K37-W42 HydrophobicContact CG-CH2 4.35Å; K37-W42 HydrophobicContact CG-CZ2 4.21Å
38	S	88.7	Confident	94.4	Very high	80 Å²	80	60.6 Å²	60.6	56%	0.559	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	101.1	172.3	-172	0	0	0	0	108.8	K36 N40 Q41	K36-S38 PolarHBondContact O-N 3.49Å; S38-N40 PolarHBondContact O-N 2.91Å; S38-Q41 PolarHBondContact N-O 2.9Å; S38-Q41 PolarHBondContact O-N 3.33Å; S38-Q41 VanDerWaalsContact O-N 3.07Å
39	G	86.3	Confident	94.5	Very high	61 Å²	61	62.6 Å²	62.6	63%	0.629	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-116.8	-170.1	0	0	0	0	0	112	K37	K37-G39 VanDerWaalsContact CE-O 3.26Å; K37-G39 WeakPolarHBondContact CE-O 3.23Å
40	N	83.7	Confident	94.7	Very high	159 Å²	159	65.2 Å²	65.2	85%	0.85	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	2	178.9	-72.1	-16	0	0	0	113.9	S38	S38-N40 PolarHBondContact O-N 2.91Å
41	Q	87.7	Confident	94.8	Very high	141 Å²	141	61.2 Å²	61.2	66%	0.659	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	154	-178.1	-66.7	-175.1	-11.9	0	0	111.5	S38	S38-Q41 PolarHBondContact N-O 2.9Å; S38-Q41 PolarHBondContact O-N 3.33Å; S38-Q41 VanDerWaalsContact O-N 3.07Å
42	W	92.8	Very high	94.7	Very high	28 Å²	28	67.3 Å²	67.3	11%	0.106	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.1	167.6	-68.5	92.3	0	0	0	109.3	H4 F6 W16 I23 Y35 K37 M352	H4-W42 AromaticContact CD2-CD1 3.51Å; H4-W42 AromaticContact CE1-CD1 3.83Å; H4-W42 AromaticContact CG-CD1 3.51Å; H4-W42 AromaticContact ND1-CD1 3.71Å; H4-W42 AromaticContact NE2-CD1 3.7Å; H4-W42 AromaticContact NE2-CG 3.99Å; F6-W42 HydrophobicContact CD1-CB 4.47Å; F6-W42 HydrophobicContact CE1-CB 3.5Å; F6-W42 VanDerWaalsContact CE1-CB 3.5Å; F6-W42 HydrophobicContact CE1-CD2 4.34Å; F6-W42 AromaticContact CE1-CG 3.79Å; F6-W42 HydrophobicContact CE1-CG 3.79Å; F6-W42 HydrophobicContact CZ-CB 4.02Å; F6-W42 HydrophobicContact CZ-CD2 4.02Å; F6-W42 HydrophobicContact CZ-CE3 4.49Å; F6-W42 AromaticContact CZ-CG 3.77Å; F6-W42 HydrophobicContact CZ-CG 3.77Å; W16-W42 AromaticContact CH2-CH2 3.48Å; W16-W42 HydrophobicContact CH2-CH2 3.48Å; W16-W42 VanDerWaalsContact CH2-CH2 3.48Å; W16-W42 AromaticContact CH2-CZ2 3.66Å; W16-W42 HydrophobicContact CH2-CZ2 3.66Å; W16-W42 HydrophobicContact CH2-CZ3 4.27Å; W16-W42 AromaticContact CZ3-CH2 3.38Å; W16-W42 HydrophobicContact CZ3-CH2 3.38Å; W16-W42 HydrophobicContact CZ3-CZ2 4.04Å; W16-W42 HydrophobicContact CZ3-CZ3 4.02Å; I23-W42 HydrophobicContact CG2-CE3 4.03Å; I23-W42 HydrophobicContact CG2-CZ3 4.01Å; Y35-W42 HydrophobicContact CD1-CB 4.18Å; K37-W42 HydrophobicContact CB-CD2 4.38Å; K37-W42 HydrophobicContact CB-CE3 4.11Å; K37-W42 HydrophobicContact CB-CH2 3.73Å; K37-W42 HydrophobicContact CB-CZ2 4.09Å; K37-W42 HydrophobicContact CB-CZ3 3.79Å; K37-W42 HydrophobicContact CD-CH2 4.34Å; K37-W42 HydrophobicContact CD-CZ2 4.06Å; K37-W42 HydrophobicContact CG-CH2 4.35Å; K37-W42 HydrophobicContact CG-CZ2 4.21Å; W42-M352 HydrophobicContact CZ2-CE 4.14Å
43	V	94.6	Very high	94.6	Very high	75 Å²	75	68 Å²	68	46%	0.455	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.9	-178.8	-176.4	0	0	0	0	108.5	Y35 K36 A45	Y35-V43 CarbonylContact C-O 3.58Å; Y35-V43 WeakPolarHBondContact CA-O 3.37Å; K36-V43 PolarHBondContact N-O 2.83Å; K36-V43 PolarHBondContact O-N 2.95Å; V43-A45 PolarHBondContact O-N 2.86Å
44	K	95.9	Very high	94.6	Very high	92 Å²	92	72 Å²	72	40%	0.4	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	116.7	175.7	-170.9	175	63.6	163	0	108.8	H33 Y35 E47	H33-K44 HydrophobicContact CB-CD 4.14Å; H33-K44 HydrophobicContact CB-CG 4.49Å; Y35-K44 HydrophobicContact CD1-CB 4.07Å; Y35-K44 HydrophobicContact CE1-CB 3.76Å; K44-E47 IonicContact NZ-OE2 2.79Å; K44-E47 PolarHBondContact NZ-OE2 3.15Å
45	A	96.4	Very high	94.6	Very high	48 Å²	48	72 Å²	72	40%	0.397	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-38	-178.6	0	0	0	0	0	112	I34 K36 V43	I34-A45 PolarHBondContact O-N 3.14Å; K36-A45 HydrophobicContact CB-CB 4.18Å; V43-A45 PolarHBondContact O-N 2.86Å
46	H	97.6	Very high	94.6	Very high	53 Å²	53	72.8 Å²	72.8	25%	0.245	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.9	-178.6	-52.9	-76.6	0	0	0	112.3	I34 L48 G84 W86	I34-H46 HydrophobicContact CB-CB 4.04Å; I34-H46 HydrophobicContact CD1-CB 4.16Å; I34-H46 HydrophobicContact CG1-CB 4.31Å; I34-H46 PolarHBondContact N-O 2.75Å; I34-H46 PolarHBondContact O-N 3.22Å; H46-L48 HydrophobicContact CB-CD1 4.08Å; H46-G84 PolarHBondContact CE1-O 3.35Å; H46-W86 AromaticContact CD2-CD1 3.94Å; H46-W86 AromaticContact CD2-NE1 3.55Å; H46-W86 AromaticContact CG-CD1 3.64Å; H46-W86 AromaticContact CG-NE1 3.75Å; H46-W86 AromaticContact ND1-CD1 3.89Å; H46-W86 AromaticContact NE2-NE1 3.92Å
47	E	97.6	Very high	94.7	Very high	69 Å²	69	67.7 Å²	67.7	32%	0.322	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	117.8	177.6	-165.2	168	157.4	0	0	108.3	E31 V32 H33 K44 K49	E31-E47 VanDerWaalsContact OE2-OE1 3.08Å; V32-E47 WeakPolarHBondContact O-CA 3.4Å; H33-E47 IonicContact NE2-OE1 2.91Å; K44-E47 IonicContact NZ-OE2 2.79Å; K44-E47 PolarHBondContact NZ-OE2 3.15Å; E47-K49 HydrophobicContact CG-CG 4.17Å; E47-K49 WeakPolarHBondContact OE1-CE 3.47Å; E47-K49 IonicContact OE1-NZ 3.82Å; E47-K49 PolarHBondContact OE1-NZ 3.47Å
48	L	98.4	Very high	95.2	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.4	-176	-78.1	56.3	0	0	0	107.6	E31 V32 I34 H46 I67 W79 W86	E31-L48 WeakPolarHBondContact CA-O 3.24Å; V32-L48 HydrophobicContact CB-CB 4.09Å; V32-L48 HydrophobicContact CB-CD2 4.4Å; V32-L48 PolarHBondContact N-O 2.79Å; V32-L48 PolarHBondContact O-N 3.14Å; I34-L48 HydrophobicContact CD1-CD1 3.64Å; I34-L48 HydrophobicContact CD1-CD2 4.28Å; I34-L48 HydrophobicContact CG1-CD1 4.07Å; H46-L48 HydrophobicContact CB-CD1 4.08Å; L48-I67 HydrophobicContact CD2-CD1 4.31Å; L48-W79 HydrophobicContact CB-CD2 4.29Å; L48-W79 HydrophobicContact CB-CE3 4.04Å; L48-W79 HydrophobicContact CB-CH2 3.66Å; L48-W79 HydrophobicContact CB-CZ2 3.95Å; L48-W79 HydrophobicContact CB-CZ3 3.71Å; L48-W79 HydrophobicContact CD2-CB 4.19Å; L48-W79 HydrophobicContact CD2-CD2 3.55Å; L48-W79 HydrophobicContact CD2-CE3 3.77Å; L48-W79 HydrophobicContact CD2-CG 3.74Å; L48-W79 HydrophobicContact CD2-CZ3 4.32Å; L48-W79 HydrophobicContact CG-CD2 3.96Å; L48-W79 HydrophobicContact CG-CE3 3.66Å; L48-W79 HydrophobicContact CG-CH2 4.23Å; L48-W79 HydrophobicContact CG-CZ3 3.8Å; L48-W86 HydrophobicContact CD1-CB 3.96Å; L48-W86 HydrophobicContact CD1-CG 3.9Å; L48-W86 HydrophobicContact CD2-CB 4.47Å; L48-W86 HydrophobicContact CG-CB 4.02Å; L48-W86 HydrophobicContact CG-CG 4.33Å
49	K	97.4	Very high	95.6	Very high	108 Å²	108	60.4 Å²	60.4	47%	0.47	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	107.2	-175.3	-51.6	-170.8	-171.6	-133.6	0	110.2	E31 E47	E31-K49 HydrophobicContact CG-CG 4.07Å; E31-K49 WeakPolarHBondContact OE1-CD 3.41Å; E31-K49 VanDerWaalsContact OE1-CE 3.26Å; E31-K49 WeakPolarHBondContact OE1-CE 3.26Å; E31-K49 IonicContact OE1-NZ 3.87Å; E31-K49 PolarHBondContact OE1-NZ 2.98Å; E47-K49 HydrophobicContact CG-CG 4.17Å; E47-K49 WeakPolarHBondContact OE1-CE 3.47Å; E47-K49 IonicContact OE1-NZ 3.82Å; E47-K49 PolarHBondContact OE1-NZ 3.47Å
50	E	98.3	Very high	96.2	Very high	93 Å²	93	57.9 Å²	57.9	44%	0.435	30%	0.297	S	S	.	.			trans	-157.7	-25.3	175.6	-161.2	67.3	-138.9	0	0	112.1	Y77 W79 P88	E50-Y77 HydrophobicContact CB-CD2 4.39Å; E50-Y77 HydrophobicContact CB-CE1 4.45Å; E50-Y77 HydrophobicContact CB-CE2 4.12Å; E50-Y77 HydrophobicContact CG-CD1 4.08Å; E50-Y77 HydrophobicContact CG-CD2 4.46Å; E50-Y77 HydrophobicContact CG-CE1 3.55Å; E50-Y77 HydrophobicContact CG-CE2 3.97Å; E50-Y77 VanDerWaalsContact CG-CZ 3.49Å; E50-Y77 PolarHBondContact O-OH 3.15Å; E50-W79 HydrophobicContact CB-CH2 3.51Å; E50-W79 HydrophobicContact CB-CZ2 3.89Å; E50-P88 HydrophobicContact CB-CB 4.31Å; E50-P88 HydrophobicContact CB-CG 4.12Å; E50-P88 HydrophobicContact CG-CB 4.09Å; E50-P88 HydrophobicContact CG-CG 3.8Å; E50-P88 WeakPolarHBondContact OE2-CG 3.32Å
51	H	98.2	Very high	96.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	26%	0.257	C	S	.	.			trans	-68.4	145.9	173.1	-78.8	-77.7	0	0	0	111.5	H30 I55 T69 D73 Y77	H30-H51 HydrophobicContact CB-CB 4.46Å; H30-H51 WeakPolarHBondContact CB-O 3.25Å; H30-H51 PolarHBondContact CD2-O 3.25Å; H51-I55 HydrophobicContact CB-CD1 4.36Å; H51-I55 HydrophobicContact CB-CG1 4.09Å; H51-T69 PolarHBondContact CD2-OG1 3.31Å; H51-T69 WeakPolarHBondContact NE2-CB 3.09Å; H51-T69 PolarHBondContact NE2-OG1 2.79Å; H51-D73 VanDerWaalsContact CA-OD2 3.26Å; H51-D73 WeakPolarHBondContact CA-OD2 3.19Å; H51-D73 WeakPolarHBondContact CB-OD2 3.28Å; H51-D73 IonicContact CE1-OD1 3.83Å; H51-D73 IonicContact CG-OD2 3.81Å; H51-D73 VanDerWaalsContact ND1-CG 3.35Å; H51-D73 IonicContact ND1-OD1 3.89Å; H51-D73 PolarHBondContact ND1-OD1 3.21Å; H51-D73 VanDerWaalsContact ND1-OD1 3.08Å; H51-D73 IonicContact ND1-OD2 3.89Å; H51-D73 PolarHBondContact ND1-OD2 3.48Å; H51-Y77 AromaticContact CD2-CD2 3.79Å; H51-Y77 AromaticContact CE1-CD2 3.55Å; H51-Y77 AromaticContact CE1-CE2 3.83Å; H51-Y77 AromaticContact CG-CE2 3.98Å; 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 3.49Å
52	N	96.8	Very high	97.3	Very high	147 Å²	147	46.3 Å²	46.3	79%	0.786	24%	0.243	S	C	*	.	S	Bend	trans	-106.9	13.3	175.1	-72.7	-42.4	0	0	0	112.5	D73	N52-D73 HydrophobicContact CB-CB 4.36Å; N52-D73 PolarHBondContact N-OD2 3.3Å
53	G	96.7	Very high	97.5	Very high	16 Å²	16	51.2 Å²	51.2	17%	0.165	27%	0.265	C	S	.	.	S	Bend	trans	-154.1	171.2	178.8	0	0	0	0	0	110.4	H30 I55	H30-G53 WeakPolarHBondContact CA-O 3.39Å; H30-G53 WeakPolarHBondContact CB-O 3.2Å; G53-I55 PolarHBondContact O-N 2.99Å
54	H	97.1	Very high	97.6	Very high	102 Å²	102	49.8 Å²	49.8	47%	0.472	26%	0.259	S	S	.	.			trans	-56.1	133.9	-177.6	-66.1	-76.8	0	0	0	112	N28 N29 G71 A72	N28-H54 PolarHBondContact O-CE1 2.72Å; N28-H54 PolarHBondContact O-ND1 3.06Å; N29-H54 WeakPolarHBondContact O-CA 3.41Å; H54-G71 CarbonylContact O-C 3.58Å; H54-G71 WeakPolarHBondContact O-CA 3.47Å; H54-A72 PolarHBondContact O-N 3.03Å
55	I	98.4	Very high	97.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.5	173.5	-61.2	-178.8	0	0	0	108.5	T12 S26 N29 V32 H51 G53 I58	T12-I55 PolarHBondContact OG1-O 3.01Å; S26-I55 PolarHBondContact OG-O 3Å; N29-I55 PolarHBondContact O-N 2.71Å; V32-I55 HydrophobicContact CG2-CD1 3.38Å; V32-I55 HydrophobicContact CG2-CG2 4.4Å; H51-I55 HydrophobicContact CB-CD1 4.36Å; H51-I55 HydrophobicContact CB-CG1 4.09Å; G53-I55 PolarHBondContact O-N 2.99Å; I55-I58 HydrophobicContact CG2-CD1 4.3Å; I55-I58 HydrophobicContact CG2-CG1 3.83Å
56	T	98.3	Very high	97.7	Very high	41 Å²	41	49.3 Å²	49.3	25%	0.252	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-15.4	-174.8	63.8	0	0	0	0	112.5	C70 A99 T100	T56-C70 PolarHBondContact N-O 3.25Å; T56-C70 PolarHBondContact OG1-O 2.85Å; T56-A99 PolarHBondContact OG1-O 2.87Å; T56-T100 WeakPolarHBondContact CB-O 3.32Å; T56-T100 WeakPolarHBondContact OG1-CA 3.32Å; T56-T100 PolarHBondContact OG1-O 3.02Å
57	G	98.5	Very high	97.8	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	141.1	178.1	0	0	0	0	0	112	T69 C70	G57-T69 WeakPolarHBondContact O-CA 3.43Å; G57-C70 PolarHBondContact N-O 2.87Å; G57-C70 PolarHBondContact O-N 3.11Å
58	I	98.9	Very high	97.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137	173.8	-57.2	167	0	0	0	106.9	A15 A24 V32 I55 I67 V68 T69	A15-I58 HydrophobicContact CB-CB 4.38Å; A15-I58 HydrophobicContact CB-CG2 3.75Å; A24-I58 HydrophobicContact CB-CG2 4.15Å; V32-I58 HydrophobicContact CB-CD1 4.36Å; V32-I58 HydrophobicContact CG1-CD1 3.82Å; V32-I58 HydrophobicContact CG2-CD1 3.69Å; V32-I58 HydrophobicContact CG2-CG1 4.08Å; I55-I58 HydrophobicContact CG2-CD1 4.3Å; I55-I58 HydrophobicContact CG2-CG1 3.83Å; I58-I67 HydrophobicContact CG2-CG2 3.78Å; I58-V68 WeakPolarHBondContact CA-O 3.26Å; I58-T69 HydrophobicContact CG1-CG2 4.22Å; I58-T69 HydrophobicContact CG2-CG2 4.47Å
59	D	98.9	Very high	97.9	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144.8	166.3	-155.6	41.2	0	0	0	110.9	I67 V68 K103 W104	D59-I67 CarbonylContact O-C 3.59Å; D59-I67 WeakPolarHBondContact O-CA 3.49Å; D59-V68 HydrophobicContact CB-CG1 3.87Å; D59-V68 PolarHBondContact N-O 2.92Å; D59-V68 PolarHBondContact O-N 3.47Å; D59-K103 HydrophobicContact CB-CD 4.23Å; D59-K103 VanDerWaalsContact CG-CD 3.49Å; D59-K103 IonicContact OD1-NZ 2.61Å; D59-K103 PolarHBondContact OD1-NZ 2.92Å; D59-K103 WeakPolarHBondContact OD2-CA 3.28Å; D59-K103 WeakPolarHBondContact OD2-CD 3.3Å; D59-W104 PolarHBondContact O-NE1 2.85Å; D59-W104 WeakPolarHBondContact OD2-CB 3.3Å; D59-W104 PolarHBondContact OD2-N 2.89Å
60	W	98.7	Very high	97.9	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.2	-174.3	-159	-29	0	0	0	109.5	A15 N17 Q22 A24 I34 P62 D65 I67 W86	A15-W60 HydrophobicContact CB-CB 3.8Å; N17-W60 HydrophobicContact CB-CD2 3.76Å; N17-W60 HydrophobicContact CB-CE3 3.98Å; 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 4.02Å; Q22-W60 HydrophobicContact CB-CH2 3.82Å; Q22-W60 HydrophobicContact CB-CZ3 4.09Å; A24-W60 HydrophobicContact CB-CE3 3.85Å; A24-W60 HydrophobicContact CB-CZ3 3.83Å; I34-W60 HydrophobicContact CD1-CH2 4.18Å; I34-W60 HydrophobicContact CG2-CH2 3.83Å; I34-W60 HydrophobicContact CG2-CZ3 4.04Å; W60-P62 VanDerWaalsContact O-CD 3.3Å; W60-P62 WeakPolarHBondContact O-CD 3.35Å; W60-D65 PolarHBondContact NE1-OD1 3.38Å; W60-I67 HydrophobicContact CB-CG1 4.31Å; W60-I67 HydrophobicContact CD2-CD1 3.79Å; W60-I67 HydrophobicContact CD2-CG1 3.51Å; W60-I67 HydrophobicContact CE3-CD1 3.88Å; W60-I67 HydrophobicContact CE3-CG1 4.03Å; W60-I67 HydrophobicContact CG-CD1 4.45Å; W60-I67 HydrophobicContact CG-CG1 3.65Å; W60-I67 HydrophobicContact CH2-CD1 3.98Å; W60-I67 HydrophobicContact CZ2-CD1 3.91Å; W60-I67 HydrophobicContact CZ2-CG1 4.25Å; W60-I67 HydrophobicContact CZ3-CD1 3.97Å; W60-W86 AromaticContact CE2-CH2 4Å; W60-W86 HydrophobicContact CH2-CZ2 4.18Å; W60-W86 AromaticContact CZ2-CH2 3.73Å; W60-W86 HydrophobicContact CZ2-CH2 3.73Å; W60-W86 AromaticContact CZ2-CZ2 3.6Å; W60-W86 HydrophobicContact CZ2-CZ2 3.6Å
61	A	98.3	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.			trans	-72.8	112.5	-178	0	0	0	0	0	110.1	K63 S64 D65 R66 W104 E108	A61-K63 PolarHBondContact O-N 2.86Å; A61-S64 VanDerWaalsContact CB-OG 3.28Å; A61-S64 WeakPolarHBondContact CB-OG 3.39Å; A61-D65 VanDerWaalsContact O-CA 3.32Å; A61-D65 WeakPolarHBondContact O-CA 3.47Å; A61-D65 PolarHBondContact O-N 2.93Å; A61-R66 HydrophobicContact CB-CB 4.36Å; A61-R66 VanDerWaalsContact CB-O 3.3Å; A61-R66 WeakPolarHBondContact CB-O 3.41Å; A61-R66 PolarHBondContact N-O 2.8Å; A61-W104 HydrophobicContact CB-CD2 4.02Å; A61-W104 HydrophobicContact CB-CG 3.93Å; A61-E108 HydrophobicContact CB-CB 4.3Å; A61-E108 HydrophobicContact CB-CG 3.85Å; A61-E108 VanDerWaalsContact CB-OE2 3.29Å; A61-E108 WeakPolarHBondContact CB-OE2 3.27Å
62	P	95.9	Very high	97.9	Very high	57 Å²	57	35.8 Å²	35.8	37%	0.37	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.4	-169.8	27.5	-36.4	0	0	0	115.6	R18 W60 E108	R18-P62 HydrophobicContact CB-CB 3.93Å; R18-P62 VanDerWaalsContact CB-O 3.28Å; R18-P62 WeakPolarHBondContact CB-O 3.31Å; R18-P62 VanDerWaalsContact CD-O 3.23Å; R18-P62 WeakPolarHBondContact CD-O 3.32Å; R18-P62 HydrophobicContact CG-CB 3.99Å; R18-P62 WeakPolarHBondContact CG-O 3.44Å; R18-P62 PolarHBondContact NH1-O 3.1Å; W60-P62 VanDerWaalsContact O-CD 3.3Å; W60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-E108 WeakPolarHBondContact CD-OE1 3.4Å; P62-E108 WeakPolarHBondContact CG-OE1 3.5Å
63	K	96.4	Very high	98	Very high	130 Å²	130	29.9 Å²	29.9	57%	0.565	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-43.8	179.7	-59	165.1	-176.4	163.2	0	111.5	A61 P106 E108	A61-K63 PolarHBondContact O-N 2.86Å; K63-P106 PolarHBondContact NZ-O 3.12Å; K63-P106 VanDerWaalsContact NZ-O 3.14Å; K63-E108 WeakPolarHBondContact CB-OE1 3.3Å; K63-E108 WeakPolarHBondContact CB-OE2 3.45Å; K63-E108 VanDerWaalsContact CG-OE1 3.23Å; K63-E108 WeakPolarHBondContact CG-OE1 3.28Å; K63-E108 PolarHBondContact N-OE1 3.02Å; K63-E108 PolarHBondContact N-OE2 3.48Å
64	S	96.8	Very high	98.1	Very high	46 Å²	46	35.4 Å²	35.4	32%	0.322	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.8	-177.1	57.9	0	0	0	0	114	A61 R66 E108	A61-S64 VanDerWaalsContact CB-OG 3.28Å; A61-S64 WeakPolarHBondContact CB-OG 3.39Å; S64-R66 PolarHBondContact O-N 3.28Å; S64-R66 PolarHBondContact OG-NE 3.32Å; S64-R66 VanDerWaalsContact OG-NE 3.15Å; S64-R66 PolarHBondContact OG-NH2 2.99Å; S64-E108 VanDerWaalsContact CB-OE2 3.29Å; S64-E108 WeakPolarHBondContact CB-OE2 3.23Å; S64-E108 PolarHBondContact N-OE2 2.69Å; S64-E108 PolarHBondContact OG-OE2 2.94Å
65	D	97.2	Very high	98.1	Very high	61 Å²	61	33 Å²	33	33%	0.326	17%	0.169	S	C	.	.			trans	54.3	34	-177.3	-155.8	31.8	0	0	0	113.4	W60 A61 W86	W60-D65 PolarHBondContact NE1-OD1 3.38Å; A61-D65 VanDerWaalsContact O-CA 3.32Å; A61-D65 WeakPolarHBondContact O-CA 3.47Å; A61-D65 PolarHBondContact O-N 2.93Å; D65-W86 WeakPolarHBondContact O-CH2 3.39Å
66	R	98.4	Very high	98.1	Very high	68 Å²	68	32.9 Å²	32.9	26%	0.257	17%	0.169	S	C	.	.			trans	-98.3	139.3	175.5	-66.9	-179.4	-63.3	-157.3	4.3	110.4	A61 S64 V78 W79 W104 E108	A61-R66 HydrophobicContact CB-CB 4.36Å; A61-R66 VanDerWaalsContact CB-O 3.3Å; A61-R66 WeakPolarHBondContact CB-O 3.41Å; A61-R66 PolarHBondContact N-O 2.8Å; S64-R66 PolarHBondContact O-N 3.28Å; S64-R66 PolarHBondContact OG-NE 3.32Å; S64-R66 VanDerWaalsContact OG-NE 3.15Å; S64-R66 PolarHBondContact OG-NH2 2.99Å; R66-V78 HydrophobicContact CB-CG1 4.29Å; R66-W79 VanDerWaalsContact CA-O 3.32Å; R66-W79 WeakPolarHBondContact CA-O 3.12Å; R66-W104 HydrophobicContact CB-CZ2 4.11Å; R66-W104 PolarHBondContact O-NE1 3.09Å; R66-E108 PolarHBondContact NH2-O 2.83Å
67	I	98.8	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.3	170.6	-62.4	168.3	0	0	0	107.7	A24 I34 L48 I58 D59 W60 T69 V78 W79 W86	A24-I67 HydrophobicContact CB-CD1 4.41Å; I34-I67 HydrophobicContact CD1-CD1 3.59Å; I34-I67 HydrophobicContact CG1-CD1 4.48Å; L48-I67 HydrophobicContact CD2-CD1 4.31Å; I58-I67 HydrophobicContact CG2-CG2 3.78Å; D59-I67 CarbonylContact O-C 3.59Å; D59-I67 WeakPolarHBondContact O-CA 3.49Å; W60-I67 HydrophobicContact CB-CG1 4.31Å; W60-I67 HydrophobicContact CD2-CD1 3.79Å; W60-I67 HydrophobicContact CD2-CG1 3.51Å; W60-I67 HydrophobicContact CE3-CD1 3.88Å; W60-I67 HydrophobicContact CE3-CG1 4.03Å; W60-I67 HydrophobicContact CG-CD1 4.45Å; W60-I67 HydrophobicContact CG-CG1 3.65Å; W60-I67 HydrophobicContact CH2-CD1 3.98Å; W60-I67 HydrophobicContact CZ2-CD1 3.91Å; W60-I67 HydrophobicContact CZ2-CG1 4.25Å; W60-I67 HydrophobicContact CZ3-CD1 3.97Å; I67-T69 HydrophobicContact CG2-CG2 3.91Å; I67-V78 CarbonylContact O-C 3.53Å; I67-V78 WeakPolarHBondContact O-CA 3.39Å; I67-W79 HydrophobicContact CB-CB 4.17Å; I67-W79 PolarHBondContact N-O 2.94Å; I67-W79 VanDerWaalsContact N-O 3.08Å; I67-W79 PolarHBondContact O-N 3.44Å; I67-W86 HydrophobicContact CB-CZ3 4.29Å; I67-W86 HydrophobicContact CD1-CE3 4.26Å; I67-W86 HydrophobicContact CD1-CH2 3.57Å; I67-W86 HydrophobicContact CD1-CZ2 3.87Å; I67-W86 HydrophobicContact CD1-CZ3 3.78Å; I67-W86 HydrophobicContact CG1-CH2 3.79Å; I67-W86 HydrophobicContact CG1-CZ3 3.84Å
68	V	98.9	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.5	165	67.6	0	0	0	0	108.9	I58 D59 Y77 V78 V102 W104 F111	I58-V68 WeakPolarHBondContact CA-O 3.26Å; D59-V68 HydrophobicContact CB-CG1 3.87Å; D59-V68 PolarHBondContact N-O 2.92Å; D59-V68 PolarHBondContact O-N 3.47Å; V68-Y77 WeakPolarHBondContact CA-O 3.32Å; V68-V78 HydrophobicContact CB-CG2 4.5Å; V68-V78 HydrophobicContact CG2-CG2 4.13Å; V68-V102 HydrophobicContact CB-CG2 4.31Å; V68-V102 HydrophobicContact CG1-CB 4.43Å; V68-V102 HydrophobicContact CG1-CG1 4.03Å; V68-V102 HydrophobicContact CG1-CG2 3.52Å; V68-V102 HydrophobicContact CG2-CG2 3.79Å; V68-W104 HydrophobicContact CB-CZ2 3.82Å; V68-W104 HydrophobicContact CG1-CD2 4.33Å; V68-W104 HydrophobicContact CG1-CG 4.2Å; V68-W104 HydrophobicContact CG1-CZ2 4.36Å; V68-W104 VanDerWaalsContact CG1-NE1 3.25Å; V68-F111 HydrophobicContact CG2-CD1 4.38Å; V68-F111 HydrophobicContact CG2-CD2 3.93Å; V68-F111 HydrophobicContact CG2-CE1 4.28Å; V68-F111 HydrophobicContact CG2-CE2 3.83Å; V68-F111 HydrophobicContact CG2-CG 4.18Å; V68-F111 HydrophobicContact CG2-CZ 4Å
69	T	98.9	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.2	175.6	62.2	0	0	0	0	109.8	V32 H51 G57 I58 I67 A76 Y77 W79	V32-T69 HydrophobicContact CG2-CG2 3.74Å; H51-T69 PolarHBondContact CD2-OG1 3.31Å; H51-T69 WeakPolarHBondContact NE2-CB 3.09Å; H51-T69 PolarHBondContact NE2-OG1 2.79Å; G57-T69 WeakPolarHBondContact O-CA 3.43Å; I58-T69 HydrophobicContact CG1-CG2 4.22Å; I58-T69 HydrophobicContact CG2-CG2 4.47Å; I67-T69 HydrophobicContact CG2-CG2 3.91Å; T69-A76 CarbonylContact O-C 3.5Å; T69-A76 WeakPolarHBondContact O-CA 3.48Å; T69-A76 VanDerWaalsContact O-CB 3.3Å; T69-A76 WeakPolarHBondContact O-CB 3.39Å; T69-Y77 PolarHBondContact N-O 3.38Å; T69-Y77 PolarHBondContact O-N 3.41Å; T69-W79 PolarHBondContact OG1-NE1 3.12Å
70	C	98.8	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.1	169.8	74.6	0	0	0	0	110.9	T56 G57 N75 A76 A99 F101 V102 V113	T56-C70 PolarHBondContact N-O 3.25Å; T56-C70 PolarHBondContact OG1-O 2.85Å; G57-C70 PolarHBondContact N-O 2.87Å; G57-C70 PolarHBondContact O-N 3.11Å; C70-N75 WeakPolarHBondContact CA-O 3.4Å; C70-A76 HydrophobicContact CB-CB 4.29Å; C70-A99 HydrophobicContact CB-CB 3.64Å; C70-F101 VanDerWaalsContact SG-C 3.59Å; C70-V102 HydrophobicContact CB-CB 4.18Å; C70-V102 HydrophobicContact CB-CG1 4.25Å; C70-V113 HydrophobicContact CB-CG1 4.02Å
71	G	98.1	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	177.5	-174.3	0	0	0	0	0	116.4	H54 D73 R74 N75 A99	H54-G71 CarbonylContact O-C 3.58Å; H54-G71 WeakPolarHBondContact O-CA 3.47Å; G71-D73 PolarHBondContact O-N 3.4Å; G71-R74 PolarHBondContact O-N 2.69Å; G71-R74 VanDerWaalsContact O-N 3.1Å; G71-N75 PolarHBondContact N-O 3.06Å; G71-A99 PolarHBondContact O-N 2.89Å; G71-A99 VanDerWaalsContact O-N 3.13Å
72	A	98.1	Very high	97.6	Very high	45 Å²	45	42.6 Å²	42.6	37%	0.372	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.8	178.2	0	0	0	0	0	113.3	H54 R74 A98	H54-A72 PolarHBondContact O-N 3.03Å; A72-R74 PolarHBondContact O-N 2.61Å; A72-A98 HydrophobicContact CB-CB 4.32Å
73	D	97.8	Very high	97.4	Very high	23 Å²	23	47 Å²	47	12%	0.123	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.3	172.6	64.4	-3.5	0	0	0	114	H51 N52 G71 N75	H51-D73 VanDerWaalsContact CA-OD2 3.26Å; H51-D73 WeakPolarHBondContact CA-OD2 3.19Å; H51-D73 WeakPolarHBondContact CB-OD2 3.28Å; H51-D73 IonicContact CE1-OD1 3.83Å; H51-D73 IonicContact CG-OD2 3.81Å; H51-D73 VanDerWaalsContact ND1-CG 3.35Å; H51-D73 IonicContact ND1-OD1 3.89Å; H51-D73 PolarHBondContact ND1-OD1 3.21Å; H51-D73 VanDerWaalsContact ND1-OD1 3.08Å; H51-D73 IonicContact ND1-OD2 3.89Å; H51-D73 PolarHBondContact ND1-OD2 3.48Å; N52-D73 HydrophobicContact CB-CB 4.36Å; N52-D73 PolarHBondContact N-OD2 3.3Å; G71-D73 PolarHBondContact O-N 3.4Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 3.18Å; D73-N75 VanDerWaalsContact OD1-N 3.12Å
74	R	98.2	Very high	97.2	Very high	133 Å²	133	42.8 Å²	42.8	50%	0.502	23%	0.227	S	C	.	.	S	Bend	trans	76.8	9	177.5	-44.9	169.7	-70.5	-172.2	1.1	113.8	G71 A72 I95 R97	G71-R74 PolarHBondContact O-N 2.69Å; G71-R74 VanDerWaalsContact O-N 3.1Å; A72-R74 PolarHBondContact O-N 2.61Å; R74-I95 HydrophobicContact CB-CD1 4.38Å; R74-I95 HydrophobicContact CB-CG1 4.08Å; R74-R97 WeakPolarHBondContact CG-O 3.34Å
75	N	97.8	Very high	97.1	Very high	50 Å²	50	44.7 Å²	44.7	27%	0.267	24%	0.236	S	C	.	.			trans	-100.5	159.3	179.8	-64.6	-28	0	0	0	110.9	C70 G71 D73 Y77 L90	C70-N75 WeakPolarHBondContact CA-O 3.4Å; G71-N75 PolarHBondContact N-O 3.06Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 3.18Å; D73-N75 VanDerWaalsContact OD1-N 3.12Å; N75-Y77 HydrophobicContact CB-CE2 4.04Å; N75-L90 HydrophobicContact CB-CD1 4.03Å
76	A	98.7	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.3	158.5	0	0	0	0	0	109.2	T69 C70 V91 L93 F111	T69-A76 CarbonylContact O-C 3.5Å; T69-A76 WeakPolarHBondContact O-CA 3.48Å; T69-A76 VanDerWaalsContact O-CB 3.3Å; T69-A76 WeakPolarHBondContact O-CB 3.39Å; C70-A76 HydrophobicContact CB-CB 4.29Å; A76-V91 HydrophobicContact CB-CB 4.24Å; A76-V91 PolarHBondContact O-N 2.9Å; A76-L93 HydrophobicContact CB-CD1 3.88Å; A76-L93 HydrophobicContact CB-CD2 3.92Å; A76-L93 HydrophobicContact CB-CG 4.03Å; A76-F111 HydrophobicContact CB-CE2 4.47Å
77	Y	98.8	Very high	97.2	Very high	18 Å²	18	45 Å²	45	7%	0.071	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.7	173.5	-64.4	-81.2	0	0	0	109.5	E50 H51 V68 T69 N75 P88 T89 L90	E50-Y77 HydrophobicContact CB-CD2 4.39Å; E50-Y77 HydrophobicContact CB-CE1 4.45Å; E50-Y77 HydrophobicContact CB-CE2 4.12Å; E50-Y77 HydrophobicContact CG-CD1 4.08Å; E50-Y77 HydrophobicContact CG-CD2 4.46Å; E50-Y77 HydrophobicContact CG-CE1 3.55Å; E50-Y77 HydrophobicContact CG-CE2 3.97Å; E50-Y77 VanDerWaalsContact CG-CZ 3.49Å; E50-Y77 PolarHBondContact O-OH 3.15Å; H51-Y77 AromaticContact CD2-CD2 3.79Å; H51-Y77 AromaticContact CE1-CD2 3.55Å; H51-Y77 AromaticContact CE1-CE2 3.83Å; H51-Y77 AromaticContact CG-CE2 3.98Å; 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 3.49Å; V68-Y77 WeakPolarHBondContact CA-O 3.32Å; T69-Y77 PolarHBondContact N-O 3.38Å; T69-Y77 PolarHBondContact O-N 3.41Å; N75-Y77 HydrophobicContact CB-CE2 4.04Å; Y77-P88 HydrophobicContact CD1-CB 3.83Å; Y77-P88 HydrophobicContact CG-CB 4.18Å; Y77-T89 WeakPolarHBondContact CA-O 3.43Å; Y77-L90 HydrophobicContact CD1-CB 4.16Å; Y77-L90 HydrophobicContact CD1-CD1 4.17Å; Y77-L90 HydrophobicContact CE1-CB 3.88Å; Y77-L90 HydrophobicContact CE1-CD1 3.58Å; Y77-L90 HydrophobicContact CE1-CG 4.31Å
78	V	98.8	Very high	97.1	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.1	164.8	174.2	0	0	0	0	107.6	R66 I67 V68 P88 T89 V91 W104 F111 W132	R66-V78 HydrophobicContact CB-CG1 4.29Å; I67-V78 CarbonylContact O-C 3.53Å; I67-V78 WeakPolarHBondContact O-CA 3.39Å; V68-V78 HydrophobicContact CB-CG2 4.5Å; V68-V78 HydrophobicContact CG2-CG2 4.13Å; V78-P88 CarbonylContact O-C 3.54Å; V78-T89 PolarHBondContact N-O 3.08Å; V78-T89 PolarHBondContact O-N 2.68Å; V78-V91 HydrophobicContact CG2-CG2 3.92Å; V78-W104 HydrophobicContact CG1-CH2 4.15Å; V78-W104 HydrophobicContact CG1-CZ2 4.03Å; V78-W104 HydrophobicContact CG2-CH2 4Å; V78-W104 HydrophobicContact CG2-CZ2 4.05Å; V78-F111 HydrophobicContact CG2-CD1 4.45Å; V78-F111 HydrophobicContact CG2-CE1 3.62Å; V78-F111 HydrophobicContact CG2-CZ 4.04Å; V78-W132 HydrophobicContact CB-CZ2 4.14Å; V78-W132 HydrophobicContact CG1-CZ2 3.93Å; V78-W132 HydrophobicContact CG2-CD2 4.39Å; V78-W132 HydrophobicContact CG2-CH2 4.26Å; V78-W132 HydrophobicContact CG2-CZ2 3.75Å
79	W	98.7	Very high	97.1	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.6	-180	-53.3	80.8	0	0	0	109.4	L48 E50 R66 I67 T69 W86 K87 P88	L48-W79 HydrophobicContact CB-CD2 4.29Å; L48-W79 HydrophobicContact CB-CE3 4.04Å; L48-W79 HydrophobicContact CB-CH2 3.66Å; L48-W79 HydrophobicContact CB-CZ2 3.95Å; L48-W79 HydrophobicContact CB-CZ3 3.71Å; L48-W79 HydrophobicContact CD2-CB 4.19Å; L48-W79 HydrophobicContact CD2-CD2 3.55Å; L48-W79 HydrophobicContact CD2-CE3 3.77Å; L48-W79 HydrophobicContact CD2-CG 3.74Å; L48-W79 HydrophobicContact CD2-CZ3 4.32Å; L48-W79 HydrophobicContact CG-CD2 3.96Å; L48-W79 HydrophobicContact CG-CE3 3.66Å; L48-W79 HydrophobicContact CG-CH2 4.23Å; L48-W79 HydrophobicContact CG-CZ3 3.8Å; E50-W79 HydrophobicContact CB-CH2 3.51Å; E50-W79 HydrophobicContact CB-CZ2 3.89Å; R66-W79 VanDerWaalsContact CA-O 3.32Å; R66-W79 WeakPolarHBondContact CA-O 3.12Å; I67-W79 HydrophobicContact CB-CB 4.17Å; I67-W79 PolarHBondContact N-O 2.94Å; I67-W79 VanDerWaalsContact N-O 3.08Å; I67-W79 PolarHBondContact O-N 3.44Å; T69-W79 PolarHBondContact OG1-NE1 3.12Å; W79-W86 HydrophobicContact CB-CE3 3.7Å; W79-W86 HydrophobicContact CB-CZ3 4.18Å; W79-W86 HydrophobicContact CE3-CB 4.36Å; W79-K87 WeakPolarHBondContact CA-O 3.13Å; W79-P88 HydrophobicContact CD2-CB 3.94Å; W79-P88 HydrophobicContact CE3-CB 3.65Å; W79-P88 HydrophobicContact CE3-CG 4.09Å; W79-P88 HydrophobicContact CH2-CB 3.77Å; W79-P88 HydrophobicContact CH2-CG 3.97Å; W79-P88 HydrophobicContact CZ2-CB 4.02Å; W79-P88 HydrophobicContact CZ3-CB 3.57Å; W79-P88 HydrophobicContact CZ3-CG 3.63Å
80	S	97.2	Very high	97	Very high	46 Å²	46	54.3 Å²	54.3	32%	0.322	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148	172.4	59	0	0	0	0	109.7	W86 K87	S80-W86 WeakPolarHBondContact O-CA 3.3Å; S80-K87 PolarHBondContact N-O 2.87Å; S80-K87 VanDerWaalsContact N-O 3.08Å; S80-K87 PolarHBondContact O-N 2.86Å
81	Q	95	Very high	97	Very high	80 Å²	80	54.3 Å²	54.3	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.5	176.4	-159.6	175.4	30.9	0	0	110.1	G84 V85 W86	Q81-G84 PolarHBondContact NE2-O 2.98Å; Q81-G84 VanDerWaalsContact NE2-O 3.1Å; Q81-V85 WeakPolarHBondContact CA-O 3.42Å; Q81-W86 HydrophobicContact CB-CD2 4.39Å; Q81-W86 HydrophobicContact CB-CE3 4.42Å
82	K	93.2	Very high	97	Very high	129 Å²	129	59.3 Å²	59.3	56%	0.561	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.9	170.1	-173	174.7	179.4	175.8	0	108.4	G84 V85	K82-G84 PolarHBondContact O-N 2.89Å; K82-V85 PolarHBondContact N-O 3.04Å; K82-V85 PolarHBondContact O-N 3.08Å
83	D	92.1	Very high	97	Very high	150 Å²	150	57.3 Å²	57.3	80%	0.802	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	39.2	-178.9	-50.3	-45.7	0	0	0	113.2	V85	D83-V85 PolarHBondContact O-N 2.84Å
84	G	91.2	Very high	97	Very high	41 Å²	41	63.3 Å²	63.3	42%	0.423	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-5.5	-178.9	0	0	0	0	0	115.1	H46 Q81 K82	H46-G84 PolarHBondContact CE1-O 3.35Å; Q81-G84 PolarHBondContact NE2-O 2.98Å; Q81-G84 VanDerWaalsContact NE2-O 3.1Å; K82-G84 PolarHBondContact O-N 2.89Å
85	V	95.6	Very high	97	Very high	86 Å²	86	58 Å²	58	52%	0.521	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.5	-178.2	-177.1	0	0	0	0	110.7	Q81 K82 D83	Q81-V85 WeakPolarHBondContact CA-O 3.42Å; K82-V85 PolarHBondContact N-O 3.04Å; K82-V85 PolarHBondContact O-N 3.08Å; D83-V85 PolarHBondContact O-N 2.84Å
86	W	98.1	Very high	97	Very high	23 Å²	23	60.5 Å²	60.5	9%	0.087	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.7	173.5	-71	92.9	0	0	0	110.6	I34 H46 L48 W60 D65 I67 W79 S80 Q81	I34-W86 HydrophobicContact CD1-CD2 4.34Å; I34-W86 HydrophobicContact CD1-CZ2 4.05Å; H46-W86 AromaticContact CD2-CD1 3.94Å; H46-W86 AromaticContact CD2-NE1 3.55Å; H46-W86 AromaticContact CG-CD1 3.64Å; H46-W86 AromaticContact CG-NE1 3.75Å; H46-W86 AromaticContact ND1-CD1 3.89Å; H46-W86 AromaticContact NE2-NE1 3.92Å; L48-W86 HydrophobicContact CD1-CB 3.96Å; L48-W86 HydrophobicContact CD1-CG 3.9Å; L48-W86 HydrophobicContact CD2-CB 4.47Å; L48-W86 HydrophobicContact CG-CB 4.02Å; L48-W86 HydrophobicContact CG-CG 4.33Å; W60-W86 AromaticContact CE2-CH2 4Å; W60-W86 HydrophobicContact CH2-CZ2 4.18Å; W60-W86 AromaticContact CZ2-CH2 3.73Å; W60-W86 HydrophobicContact CZ2-CH2 3.73Å; W60-W86 AromaticContact CZ2-CZ2 3.6Å; W60-W86 HydrophobicContact CZ2-CZ2 3.6Å; D65-W86 WeakPolarHBondContact O-CH2 3.39Å; I67-W86 HydrophobicContact CB-CZ3 4.29Å; I67-W86 HydrophobicContact CD1-CE3 4.26Å; I67-W86 HydrophobicContact CD1-CH2 3.57Å; I67-W86 HydrophobicContact CD1-CZ2 3.87Å; I67-W86 HydrophobicContact CD1-CZ3 3.78Å; I67-W86 HydrophobicContact CG1-CH2 3.79Å; I67-W86 HydrophobicContact CG1-CZ3 3.84Å; W79-W86 HydrophobicContact CB-CE3 3.7Å; W79-W86 HydrophobicContact CB-CZ3 4.18Å; W79-W86 HydrophobicContact CE3-CB 4.36Å; S80-W86 WeakPolarHBondContact O-CA 3.3Å; Q81-W86 HydrophobicContact CB-CD2 4.39Å; Q81-W86 HydrophobicContact CB-CE3 4.42Å
87	K	97.9	Very high	96.9	Very high	112 Å²	112	67.4 Å²	67.4	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127	177.8	-64.6	-166.1	178.1	-170.7	0	110.7	W79 S80	W79-K87 WeakPolarHBondContact CA-O 3.13Å; S80-K87 PolarHBondContact N-O 2.87Å; S80-K87 VanDerWaalsContact N-O 3.08Å; S80-K87 PolarHBondContact O-N 2.86Å
88	P	98.1	Very high	96.9	Very high	44 Å²	44	68.2 Å²	68.2	29%	0.286	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	144	176.7	28.9	-28.7	0	0	0	111.3	E50 Y77 V78 W79	E50-P88 HydrophobicContact CB-CB 4.31Å; E50-P88 HydrophobicContact CB-CG 4.12Å; E50-P88 HydrophobicContact CG-CB 4.09Å; E50-P88 HydrophobicContact CG-CG 3.8Å; E50-P88 WeakPolarHBondContact OE2-CG 3.32Å; Y77-P88 HydrophobicContact CD1-CB 3.83Å; Y77-P88 HydrophobicContact CG-CB 4.18Å; V78-P88 CarbonylContact O-C 3.54Å; W79-P88 HydrophobicContact CD2-CB 3.94Å; W79-P88 HydrophobicContact CE3-CB 3.65Å; W79-P88 HydrophobicContact CE3-CG 4.09Å; W79-P88 HydrophobicContact CH2-CB 3.77Å; W79-P88 HydrophobicContact CH2-CG 3.97Å; W79-P88 HydrophobicContact CZ2-CB 4.02Å; W79-P88 HydrophobicContact CZ3-CB 3.57Å; W79-P88 HydrophobicContact CZ3-CG 3.63Å
89	T	98	Very high	96.9	Very high	64 Å²	64	68 Å²	68	39%	0.393	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121	163.9	-56	0	0	0	0	108	Y77 V78	Y77-T89 WeakPolarHBondContact CA-O 3.43Å; V78-T89 PolarHBondContact N-O 3.08Å; V78-T89 PolarHBondContact O-N 2.68Å
90	L	97.9	Very high	96.9	Very high	87 Å²	87	69.3 Å²	69.3	46%	0.455	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.7	-179.9	177.8	64.3	0	0	0	111	N75 Y77	N75-L90 HydrophobicContact CB-CD1 4.03Å; Y77-L90 HydrophobicContact CD1-CB 4.16Å; Y77-L90 HydrophobicContact CD1-CD1 4.17Å; Y77-L90 HydrophobicContact CE1-CB 3.88Å; Y77-L90 HydrophobicContact CE1-CD1 3.58Å; Y77-L90 HydrophobicContact CE1-CG 4.31Å
91	V	98.4	Very high	97	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.6	173	-179.5	0	0	0	0	109.3	A76 V78 L93 F111 C123 W132	A76-V91 HydrophobicContact CB-CB 4.24Å; A76-V91 PolarHBondContact O-N 2.9Å; V78-V91 HydrophobicContact CG2-CG2 3.92Å; V91-L93 HydrophobicContact CG1-CD2 4.1Å; V91-L93 PolarHBondContact O-N 3.35Å; V91-L93 VanDerWaalsContact O-N 3.13Å; V91-F111 HydrophobicContact CB-CZ 4.19Å; V91-F111 HydrophobicContact CG1-CZ 3.86Å; V91-F111 HydrophobicContact CG2-CE1 4.38Å; V91-F111 HydrophobicContact CG2-CZ 3.78Å; V91-C123 HydrophobicContact CG1-CB 4.17Å; V91-W132 HydrophobicContact CB-CB 4.25Å; V91-W132 HydrophobicContact CG1-CB 3.84Å; V91-W132 HydrophobicContact CG1-CG 4.47Å; V91-W132 HydrophobicContact CG2-CB 3.86Å; V91-W132 HydrophobicContact CG2-CD2 4.12Å; V91-W132 HydrophobicContact CG2-CG 3.66Å
92	I	96.9	Very high	97.2	Very high	105 Å²	105	65.5 Å²	65.5	54%	0.538	33%	0.334	S	S	.	.			trans	-81.2	98.6	179	-55.4	179	0	0	0	109.5	R94 S134	I92-R94 VanDerWaalsContact C-N 3.28Å; I92-R94 HydrophobicContact CG2-CG 3.85Å; I92-R94 PolarHBondContact O-N 3.31Å; I92-S134 PolarHBondContact O-OG 3.4Å
93	L	98	Very high	97.4	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	32%	0.316	C	S	.	.			trans	-71.9	-19.3	179.5	-61.1	-178.5	0	0	0	113.7	A76 V91 I95 A99 V113 S121 H136	A76-L93 HydrophobicContact CB-CD1 3.88Å; A76-L93 HydrophobicContact CB-CD2 3.92Å; A76-L93 HydrophobicContact CB-CG 4.03Å; V91-L93 HydrophobicContact CG1-CD2 4.1Å; V91-L93 PolarHBondContact O-N 3.35Å; V91-L93 VanDerWaalsContact O-N 3.13Å; 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 4.25Å; L93-I95 HydrophobicContact CD1-CD1 3.66Å; L93-I95 HydrophobicContact CD1-CG1 4.41Å; L93-I95 PolarHBondContact O-N 3.19Å; L93-A99 HydrophobicContact CD1-CB 4.21Å; L93-V113 HydrophobicContact CD1-CB 4.39Å; L93-V113 HydrophobicContact CD1-CG1 3.87Å; L93-V113 HydrophobicContact CD1-CG2 4.39Å; L93-V113 HydrophobicContact CD2-CB 4.24Å; L93-V113 HydrophobicContact CD2-CG2 3.74Å; L93-S121 PolarHBondContact O-OG 3.29Å; L93-H136 PolarHBondContact O-NE2 2.79Å
94	R	97.9	Very high	97.8	Very high	150 Å²	150	54.7 Å²	54.7	57%	0.566	28%	0.28	S	S	*	.			trans	56.4	40.4	-175.7	-54.5	-177.7	-64.4	131.3	-2.8	112.9	I92 S134 H136	I92-R94 VanDerWaalsContact C-N 3.28Å; I92-R94 HydrophobicContact CG2-CG 3.85Å; I92-R94 PolarHBondContact O-N 3.31Å; R94-S134 PolarHBondContact NE-OG 2.93Å; R94-S134 PolarHBondContact NH2-O 2.99Å; R94-H136 PolarHBondContact O-CE1 2.8Å
95	I	98	Very high	98.1	Very high	21 Å²	21	52.9 Å²	52.9	11%	0.108	26%	0.261	C	S	.	.			trans	-110.8	152.7	176.6	63	-178	0	0	0	111.5	R74 L93 R97 A99 A117 L119	R74-I95 HydrophobicContact CB-CD1 4.38Å; R74-I95 HydrophobicContact CB-CG1 4.08Å; 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 4.25Å; L93-I95 HydrophobicContact CD1-CD1 3.66Å; L93-I95 HydrophobicContact CD1-CG1 4.41Å; L93-I95 PolarHBondContact O-N 3.19Å; I95-R97 WeakPolarHBondContact CD1-O 3.29Å; I95-R97 WeakPolarHBondContact CG1-O 3.08Å; I95-A99 HydrophobicContact CD1-CB 4.08Å; I95-A117 HydrophobicContact CB-CB 4.16Å; I95-A117 HydrophobicContact CG2-CB 4.34Å; I95-L119 HydrophobicContact CG2-CD1 3.74Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.36Å
96	N	97.6	Very high	98.2	Very high	102 Å²	102	51.1 Å²	51.1	55%	0.545	25%	0.251	S	S	.	.	S	Bend	trans	-113.5	13.1	-179.2	69.9	-11.3	0	0	0	113.6
97	R	98.4	Very high	98.2	Very high	146 Å²	146	55.1 Å²	55.1	55%	0.551	27%	0.274	S	S	*	.	S	Bend	trans	-142.6	164.4	177.1	-67.5	-65.2	-176.8	-84.8	3.1	108.6	R74 I95 S115 A117	R74-R97 WeakPolarHBondContact CG-O 3.34Å; I95-R97 WeakPolarHBondContact CD1-O 3.29Å; I95-R97 WeakPolarHBondContact CG1-O 3.08Å; R97-S115 PolarHBondContact O-OG 2.7Å; R97-A117 HydrophobicContact CB-CB 4.15Å; R97-A117 HydrophobicContact CG-CB 4.49Å
98	A	98.4	Very high	98.3	Very high	35 Å²	35	50.2 Å²	50.2	29%	0.289	25%	0.253	S	S	.	.			trans	-47.4	139.4	179.8	0	0	0	0	0	112.5	A72 S115 G116	A72-A98 HydrophobicContact CB-CB 4.32Å; A98-S115 WeakPolarHBondContact O-CA 3.18Å; A98-S115 PolarHBondContact O-OG 2.8Å; A98-G116 PolarHBondContact O-N 2.81Å
99	A	98.8	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	147.9	158	0	0	0	0	0	108	T56 C70 G71 L93 I95 V113	T56-A99 PolarHBondContact OG1-O 2.87Å; C70-A99 HydrophobicContact CB-CB 3.64Å; G71-A99 PolarHBondContact O-N 2.89Å; G71-A99 VanDerWaalsContact O-N 3.13Å; L93-A99 HydrophobicContact CD1-CB 4.21Å; I95-A99 HydrophobicContact CD1-CB 4.08Å; A99-V113 HydrophobicContact CB-CG1 3.67Å
100	T	98.6	Very high	98.3	Very high	31 Å²	31	46.9 Å²	46.9	19%	0.19	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-26	-170.6	47.5	0	0	0	0	112.9	T56 G114 S115 T144 V145	T56-T100 WeakPolarHBondContact CB-O 3.32Å; T56-T100 WeakPolarHBondContact OG1-CA 3.32Å; T56-T100 PolarHBondContact OG1-O 3.02Å; T100-G114 PolarHBondContact N-O 3.4Å; T100-G114 PolarHBondContact OG1-O 2.8Å; T100-G114 VanDerWaalsContact OG1-O 3.08Å; T100-S115 PolarHBondContact OG1-N 2.95Å; T100-T144 HydrophobicContact CG2-CG2 3.74Å; T100-V145 WeakPolarHBondContact CB-O 3.29Å; T100-V145 PolarHBondContact OG1-O 3.15Å
101	F	98.7	Very high	98.3	Very high	44 Å²	44	42.8 Å²	42.8	19%	0.193	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	148.9	-179	-158.4	-97.9	0	0	0	110.2	C70 K103 V113 G114 L146 L148	C70-F101 VanDerWaalsContact SG-C 3.59Å; F101-K103 HydrophobicContact CD1-CG 4.17Å; F101-K103 HydrophobicContact CE1-CD 4.26Å; F101-K103 HydrophobicContact CE1-CG 3.53Å; F101-K103 HydrophobicContact CZ-CG 4.44Å; F101-V113 CarbonylContact O-C 3.52Å; F101-V113 VanDerWaalsContact O-CA 3.28Å; F101-V113 WeakPolarHBondContact O-CA 3.42Å; F101-G114 PolarHBondContact O-N 3.28Å; F101-L146 WeakPolarHBondContact CD2-O 3.46Å; F101-L148 HydrophobicContact CD1-CB 3.92Å; F101-L148 HydrophobicContact CD1-CG 4.31Å; F101-L148 HydrophobicContact CE1-CB 4.27Å; F101-L148 WeakPolarHBondContact CE1-O 3.29Å
102	V	98.9	Very high	98.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.2	175.2	63.6	0	0	0	0	111.7	V68 C70 F111 A112 V113	V68-V102 HydrophobicContact CB-CG2 4.31Å; V68-V102 HydrophobicContact CG1-CB 4.43Å; V68-V102 HydrophobicContact CG1-CG1 4.03Å; V68-V102 HydrophobicContact CG1-CG2 3.52Å; V68-V102 HydrophobicContact CG2-CG2 3.79Å; C70-V102 HydrophobicContact CB-CB 4.18Å; C70-V102 HydrophobicContact CB-CG1 4.25Å; V102-F111 HydrophobicContact CG2-CD2 3.81Å; V102-F111 HydrophobicContact CG2-CE2 4.48Å; V102-A112 VanDerWaalsContact CA-O 3.29Å; V102-A112 WeakPolarHBondContact CA-O 3.28Å; V102-V113 HydrophobicContact CB-CG2 4.33Å; V102-V113 HydrophobicContact CG2-CG2 3.86Å
103	K	98.8	Very high	98.4	Very high	40 Å²	40	37.8 Å²	37.8	17%	0.174	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.5	171.9	-75.8	-66.5	172.5	-174.3	0	113.1	D59 F101 F111 A112 W150	D59-K103 HydrophobicContact CB-CD 4.23Å; D59-K103 VanDerWaalsContact CG-CD 3.49Å; D59-K103 IonicContact OD1-NZ 2.61Å; D59-K103 PolarHBondContact OD1-NZ 2.92Å; D59-K103 WeakPolarHBondContact OD2-CA 3.28Å; D59-K103 WeakPolarHBondContact OD2-CD 3.3Å; F101-K103 HydrophobicContact CD1-CG 4.17Å; F101-K103 HydrophobicContact CE1-CD 4.26Å; F101-K103 HydrophobicContact CE1-CG 3.53Å; F101-K103 HydrophobicContact CZ-CG 4.44Å; K103-F111 CarbonylContact O-C 3.56Å; K103-F111 VanDerWaalsContact O-CA 3.22Å; K103-F111 WeakPolarHBondContact O-CA 3.35Å; K103-F111 VanDerWaalsContact O-CB 3.31Å; K103-F111 WeakPolarHBondContact O-CB 3.42Å; K103-A112 PolarHBondContact N-O 3.48Å; K103-A112 PolarHBondContact O-N 2.81Å; K103-W150 PolarHBondContact O-NE1 2.9Å
104	W	98.9	Very high	98.5	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	144.1	164.3	-76.5	109.4	0	0	0	110.5	D59 A61 R66 V68 V78 K110 F111 W132 W150	D59-W104 PolarHBondContact O-NE1 2.85Å; D59-W104 WeakPolarHBondContact OD2-CB 3.3Å; D59-W104 PolarHBondContact OD2-N 2.89Å; A61-W104 HydrophobicContact CB-CD2 4.02Å; A61-W104 HydrophobicContact CB-CG 3.93Å; R66-W104 HydrophobicContact CB-CZ2 4.11Å; R66-W104 PolarHBondContact O-NE1 3.09Å; V68-W104 HydrophobicContact CB-CZ2 3.82Å; V68-W104 HydrophobicContact CG1-CD2 4.33Å; V68-W104 HydrophobicContact CG1-CG 4.2Å; V68-W104 HydrophobicContact CG1-CZ2 4.36Å; V68-W104 VanDerWaalsContact CG1-NE1 3.25Å; V78-W104 HydrophobicContact CG1-CH2 4.15Å; V78-W104 HydrophobicContact CG1-CZ2 4.03Å; V78-W104 HydrophobicContact CG2-CH2 4Å; V78-W104 HydrophobicContact CG2-CZ2 4.05Å; W104-K110 VanDerWaalsContact CE3-O 3.28Å; W104-F111 HydrophobicContact CD2-CB 4.1Å; W104-F111 HydrophobicContact CE3-CB 3.86Å; W104-F111 HydrophobicContact CE3-CD1 4.07Å; W104-F111 HydrophobicContact CE3-CG 4.44Å; W104-F111 AromaticContact CH2-CD1 3.72Å; W104-F111 HydrophobicContact CH2-CD1 3.72Å; W104-F111 HydrophobicContact CH2-CE1 4.19Å; W104-F111 HydrophobicContact CZ2-CD1 4.32Å; W104-F111 HydrophobicContact CZ3-CB 4.27Å; W104-F111 AromaticContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CE1 4.43Å; W104-F111 HydrophobicContact CZ3-CG 4.4Å; W104-W132 AromaticContact CH2-CH2 3.56Å; W104-W132 HydrophobicContact CH2-CH2 3.56Å; W104-W132 HydrophobicContact CH2-CZ2 4.12Å; W104-W132 HydrophobicContact CH2-CZ3 4.34Å; W104-W132 AromaticContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CZ3 4.34Å; W104-W150 PolarHBondContact O-NE1 2.96Å
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	-74.6	155.8	168.9	77	0	0	0	0	110.5	L107 E108 N109 K110 N154	S105-L107 PolarHBondContact O-N 2.87Å; S105-L107 VanDerWaalsContact O-N 3.13Å; S105-E108 WeakPolarHBondContact O-CA 3.44Å; S105-E108 PolarHBondContact O-N 3.29Å; S105-N109 PolarHBondContact OG-OD1 2.66Å; S105-N109 VanDerWaalsContact OG-OD1 3.04Å; S105-K110 WeakPolarHBondContact CB-O 3.21Å; S105-K110 PolarHBondContact N-O 3.2Å; S105-K110 PolarHBondContact OG-N 2.74Å; S105-K110 PolarHBondContact OG-O 3.47Å; S105-K110 VanDerWaalsContact OG-O 3.06Å; S105-N154 WeakPolarHBondContact CB-OD1 3.38Å; S105-N154 PolarHBondContact OG-OD1 2.87Å
106	P	98.1	Very high	98.5	Very high	50 Å²	50	30.3 Å²	30.3	33%	0.325	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.9	-177	-29	34.6	0	0	0	116.2	K63 W150 N154	K63-P106 PolarHBondContact NZ-O 3.12Å; K63-P106 VanDerWaalsContact NZ-O 3.14Å; P106-W150 HydrophobicContact CG-CB 4.13Å; P106-N154 WeakPolarHBondContact CD-OD1 3.45Å
107	L	98.2	Very high	98.6	Very high	107 Å²	107	26.2 Å²	26.2	56%	0.56	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.4	175.1	-59.6	-177.1	0	0	0	113.3	S105 N109 N154	S105-L107 PolarHBondContact O-N 2.87Å; S105-L107 VanDerWaalsContact O-N 3.13Å; L107-N109 PolarHBondContact O-N 2.68Å; L107-N154 HydrophobicContact CB-CB 4.46Å; L107-N154 WeakPolarHBondContact CB-OD1 3.08Å; L107-N154 HydrophobicContact CD1-CB 3.9Å; L107-N154 HydrophobicContact CG-CB 3.82Å; L107-N154 PolarHBondContact N-OD1 3.47Å
108	E	98.4	Very high	98.6	Very high	9 Å²	9	26.2 Å²	26.2	4%	0.042	14%	0.139	C	C	.	.	S	Bend	trans	59.1	18.9	178.1	-53.3	171.2	-153.9	0	0	114	A61 P62 K63 S64 R66 S105	A61-E108 HydrophobicContact CB-CB 4.3Å; A61-E108 HydrophobicContact CB-CG 3.85Å; A61-E108 VanDerWaalsContact CB-OE2 3.29Å; A61-E108 WeakPolarHBondContact CB-OE2 3.27Å; P62-E108 WeakPolarHBondContact CD-OE1 3.4Å; P62-E108 WeakPolarHBondContact CG-OE1 3.5Å; K63-E108 WeakPolarHBondContact CB-OE1 3.3Å; K63-E108 WeakPolarHBondContact CB-OE2 3.45Å; K63-E108 VanDerWaalsContact CG-OE1 3.23Å; K63-E108 WeakPolarHBondContact CG-OE1 3.28Å; K63-E108 PolarHBondContact N-OE1 3.02Å; K63-E108 PolarHBondContact N-OE2 3.48Å; S64-E108 VanDerWaalsContact CB-OE2 3.29Å; S64-E108 WeakPolarHBondContact CB-OE2 3.23Å; S64-E108 PolarHBondContact N-OE2 2.69Å; S64-E108 PolarHBondContact OG-OE2 2.94Å; R66-E108 PolarHBondContact NH2-O 2.83Å; S105-E108 WeakPolarHBondContact O-CA 3.44Å; S105-E108 PolarHBondContact O-N 3.29Å
109	N	97.8	Very high	98.6	Very high	38 Å²	38	25.1 Å²	25.1	20%	0.203	13%	0.128	C	C	.	.	S	Bend	trans	-87.7	-15.5	173.3	65.8	-23.9	0	0	0	112	S105 L107 N154 V176 D177	S105-N109 PolarHBondContact OG-OD1 2.66Å; S105-N109 VanDerWaalsContact OG-OD1 3.04Å; L107-N109 PolarHBondContact O-N 2.68Å; N109-N154 PolarHBondContact ND2-ND2 3.4Å; N109-N154 PolarHBondContact OD1-ND2 2.83Å; N109-N154 PolarHBondContact OD1-OD1 3.02Å; N109-V176 PolarHBondContact ND2-O 2.86Å; N109-D177 PolarHBondContact ND2-OD1 3.07Å
110	K	98.5	Very high	98.6	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	-143.8	164.6	178.5	-49.8	-170.3	-61.7	-66.4	0	111.5	W104 S105 V122 C123 N154 A171 I173 V176 D177	W104-K110 VanDerWaalsContact CE3-O 3.28Å; S105-K110 WeakPolarHBondContact CB-O 3.21Å; S105-K110 PolarHBondContact N-O 3.2Å; S105-K110 PolarHBondContact OG-N 2.74Å; S105-K110 PolarHBondContact OG-O 3.47Å; S105-K110 VanDerWaalsContact OG-O 3.06Å; K110-V122 HydrophobicContact CD-CG1 4.18Å; K110-C123 CarbonylContact C-O 3.54Å; K110-C123 WeakPolarHBondContact CA-O 3.36Å; K110-C123 WeakPolarHBondContact CB-O 3.36Å; K110-N154 PolarHBondContact NZ-ND2 3.27Å; K110-N154 PolarHBondContact NZ-O 2.95Å; K110-A171 WeakPolarHBondContact CE-O 3.3Å; K110-I173 HydrophobicContact CD-CB 3.88Å; K110-I173 HydrophobicContact CD-CG1 3.42Å; K110-I173 VanDerWaalsContact CD-CG1 3.42Å; K110-V176 HydrophobicContact CD-CG2 3.66Å; K110-V176 HydrophobicContact CG-CG2 3.67Å; K110-D177 VanDerWaalsContact CE-OD2 3.29Å; K110-D177 WeakPolarHBondContact CE-OD2 3.45Å; K110-D177 IonicContact NZ-OD1 2.73Å; K110-D177 PolarHBondContact NZ-OD1 3.29Å; K110-D177 IonicContact NZ-OD2 2.89Å; K110-D177 PolarHBondContact NZ-OD2 3.38Å
111	F	98.9	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.8	162.6	62	-91.6	0	0	0	110.6	V68 A76 V78 V91 V102 K103 W104 V113 V122 C123 W132	V68-F111 HydrophobicContact CG2-CD1 4.38Å; V68-F111 HydrophobicContact CG2-CD2 3.93Å; V68-F111 HydrophobicContact CG2-CE1 4.28Å; V68-F111 HydrophobicContact CG2-CE2 3.83Å; V68-F111 HydrophobicContact CG2-CG 4.18Å; V68-F111 HydrophobicContact CG2-CZ 4Å; A76-F111 HydrophobicContact CB-CE2 4.47Å; V78-F111 HydrophobicContact CG2-CD1 4.45Å; V78-F111 HydrophobicContact CG2-CE1 3.62Å; V78-F111 HydrophobicContact CG2-CZ 4.04Å; V91-F111 HydrophobicContact CB-CZ 4.19Å; V91-F111 HydrophobicContact CG1-CZ 3.86Å; V91-F111 HydrophobicContact CG2-CE1 4.38Å; V91-F111 HydrophobicContact CG2-CZ 3.78Å; V102-F111 HydrophobicContact CG2-CD2 3.81Å; V102-F111 HydrophobicContact CG2-CE2 4.48Å; K103-F111 CarbonylContact O-C 3.56Å; K103-F111 VanDerWaalsContact O-CA 3.22Å; K103-F111 WeakPolarHBondContact O-CA 3.35Å; K103-F111 VanDerWaalsContact O-CB 3.31Å; K103-F111 WeakPolarHBondContact O-CB 3.42Å; W104-F111 HydrophobicContact CD2-CB 4.1Å; W104-F111 HydrophobicContact CE3-CB 3.86Å; W104-F111 HydrophobicContact CE3-CD1 4.07Å; W104-F111 HydrophobicContact CE3-CG 4.44Å; W104-F111 AromaticContact CH2-CD1 3.72Å; W104-F111 HydrophobicContact CH2-CD1 3.72Å; W104-F111 HydrophobicContact CH2-CE1 4.19Å; W104-F111 HydrophobicContact CZ2-CD1 4.32Å; W104-F111 HydrophobicContact CZ3-CB 4.27Å; W104-F111 AromaticContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CE1 4.43Å; W104-F111 HydrophobicContact CZ3-CG 4.4Å; F111-V113 HydrophobicContact CD2-CG2 3.76Å; F111-V113 HydrophobicContact CE2-CG2 3.68Å; F111-V122 CarbonylContact O-C 3.59Å; F111-V122 WeakPolarHBondContact O-CA 3.09Å; F111-C123 HydrophobicContact CD1-CB 4.15Å; F111-C123 HydrophobicContact CD2-CB 4.02Å; F111-C123 HydrophobicContact CE1-CB 3.72Å; F111-C123 HydrophobicContact CE2-CB 3.56Å; F111-C123 HydrophobicContact CG-CB 4.31Å; F111-C123 HydrophobicContact CZ-CB 3.41Å; F111-C123 VanDerWaalsContact CZ-CB 3.41Å; F111-C123 PolarHBondContact N-O 3.07Å; F111-C123 PolarHBondContact O-N 3.07Å; F111-W132 HydrophobicContact CD1-CE3 4.3Å; F111-W132 HydrophobicContact CD1-CH2 4.25Å; F111-W132 AromaticContact CD1-CZ3 3.76Å; F111-W132 HydrophobicContact CD1-CZ3 3.76Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.52Å; F111-W132 HydrophobicContact CE1-CE3 3.52Å; F111-W132 AromaticContact CE1-CH2 3.96Å; F111-W132 HydrophobicContact CE1-CH2 3.96Å; F111-W132 AromaticContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CZ-CE3 4.33Å
112	A	98.9	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.2	178.2	0	0	0	0	0	110.6	V102 K103 I120 S121 L148 W150 L157	V102-A112 VanDerWaalsContact CA-O 3.29Å; V102-A112 WeakPolarHBondContact CA-O 3.28Å; K103-A112 PolarHBondContact N-O 3.48Å; K103-A112 PolarHBondContact O-N 2.81Å; A112-I120 HydrophobicContact CB-CG2 3.98Å; A112-S121 CarbonylContact C-O 3.42Å; A112-S121 WeakPolarHBondContact CA-O 3.18Å; A112-L148 HydrophobicContact CB-CD1 3.83Å; A112-W150 HydrophobicContact CB-CZ2 3.61Å; A112-L157 HydrophobicContact CB-CD1 4.17Å; A112-L157 HydrophobicContact CB-CD2 3.57Å
113	V	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.8	178	-171.7	0	0	0	0	109.9	C70 L93 A99 F101 V102 F111 I120 S121	C70-V113 HydrophobicContact CB-CG1 4.02Å; L93-V113 HydrophobicContact CD1-CB 4.39Å; L93-V113 HydrophobicContact CD1-CG1 3.87Å; L93-V113 HydrophobicContact CD1-CG2 4.39Å; L93-V113 HydrophobicContact CD2-CB 4.24Å; L93-V113 HydrophobicContact CD2-CG2 3.74Å; A99-V113 HydrophobicContact CB-CG1 3.67Å; F101-V113 CarbonylContact O-C 3.52Å; F101-V113 VanDerWaalsContact O-CA 3.28Å; F101-V113 WeakPolarHBondContact O-CA 3.42Å; V102-V113 HydrophobicContact CB-CG2 4.33Å; V102-V113 HydrophobicContact CG2-CG2 3.86Å; F111-V113 HydrophobicContact CD2-CG2 3.76Å; F111-V113 HydrophobicContact CE2-CG2 3.68Å; V113-I120 CarbonylContact O-C 3.35Å; V113-I120 VanDerWaalsContact O-CA 3.32Å; V113-I120 WeakPolarHBondContact O-CA 3.33Å; V113-S121 PolarHBondContact N-O 3.21Å; V113-S121 PolarHBondContact O-N 2.73Å
114	G	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	149.2	168.8	0	0	0	0	0	111	T100 F101	T100-G114 PolarHBondContact N-O 3.4Å; T100-G114 PolarHBondContact OG1-O 2.8Å; T100-G114 VanDerWaalsContact OG1-O 3.08Å; F101-G114 PolarHBondContact O-N 3.28Å
115	S	98.7	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.1	-178.8	177.2	0	0	0	0	113.4	R97 A98 T100 A117 R118 L119 V145	R97-S115 PolarHBondContact O-OG 2.7Å; A98-S115 WeakPolarHBondContact O-CA 3.18Å; A98-S115 PolarHBondContact O-OG 2.8Å; T100-S115 PolarHBondContact OG1-N 2.95Å; S115-A117 PolarHBondContact O-N 2.91Å; S115-A117 WeakPolarHBondContact OG-CB 3.27Å; S115-A117 PolarHBondContact OG-N 3.42Å; S115-R118 PolarHBondContact O-N 3.35Å; S115-L119 PolarHBondContact N-O 3.21Å; S115-V145 PolarHBondContact O-N 2.87Å
116	G	98.6	Very high	98.3	Very high	17 Å²	17	25 Å²	25	18%	0.175	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.1	163.6	0	0	0	0	0	114.1	A98 R118	A98-G116 PolarHBondContact O-N 2.81Å; G116-R118 PolarHBondContact O-N 2.89Å
117	A	98.4	Very high	98	Very high	17 Å²	17	27.4 Å²	27.4	14%	0.14	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	5.7	172.1	0	0	0	0	0	113	I95 R97 S115 L119	I95-A117 HydrophobicContact CB-CB 4.16Å; I95-A117 HydrophobicContact CG2-CB 4.34Å; R97-A117 HydrophobicContact CB-CB 4.15Å; R97-A117 HydrophobicContact CG-CB 4.49Å; S115-A117 PolarHBondContact O-N 2.91Å; S115-A117 WeakPolarHBondContact OG-CB 3.27Å; S115-A117 PolarHBondContact OG-N 3.42Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 HydrophobicContact CB-CD2 4.2Å; A117-L119 HydrophobicContact CB-CG 4.16Å; A117-L119 PolarHBondContact O-N 3.38Å
118	R	98.5	Very high	97.7	Very high	146 Å²	146	30.6 Å²	30.6	55%	0.551	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	40.4	176.9	-45.4	172.7	179.5	170.1	0.3	112	S115 G116 I141 R142 S143	S115-R118 PolarHBondContact O-N 3.35Å; G116-R118 PolarHBondContact O-N 2.89Å; R118-I141 HydrophobicContact CB-CG2 4.33Å; R118-R142 VanDerWaalsContact CD-O 3.31Å; R118-R142 WeakPolarHBondContact CD-O 3.21Å; R118-R142 PolarHBondContact NE-O 3.47Å; R118-S143 WeakPolarHBondContact CA-O 3.28Å
119	L	98.6	Very high	97.3	Very high	12 Å²	12	35 Å²	35	6%	0.063	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	164.4	179.3	68.1	80.9	0	0	0	110.2	I95 S115 A117 S121 I137 K138	I95-L119 HydrophobicContact CG2-CD1 3.74Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.36Å; S115-L119 PolarHBondContact N-O 3.21Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 HydrophobicContact CB-CD2 4.2Å; A117-L119 HydrophobicContact CB-CG 4.16Å; A117-L119 PolarHBondContact O-N 3.38Å; L119-S121 WeakPolarHBondContact CD1-OG 3.16Å; L119-I137 CarbonylContact C-O 3.59Å; L119-I137 VanDerWaalsContact CA-O 3.28Å; L119-I137 WeakPolarHBondContact CA-O 3.31Å; L119-I137 WeakPolarHBondContact CB-O 3.33Å; L119-K138 HydrophobicContact CB-CB 4.37Å; L119-K138 HydrophobicContact CB-CG 4.4Å
120	I	98.9	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.5	170.5	-56.3	165.4	0	0	0	108	A112 V113 V122 H136 I137 I141 V145 L148 L157 A159 F169	A112-I120 HydrophobicContact CB-CG2 3.98Å; V113-I120 CarbonylContact O-C 3.35Å; V113-I120 VanDerWaalsContact O-CA 3.32Å; V113-I120 WeakPolarHBondContact O-CA 3.33Å; I120-V122 HydrophobicContact CG2-CG2 4.42Å; I120-H136 WeakPolarHBondContact O-CA 3.35Å; I120-I137 HydrophobicContact CB-CB 4.29Å; I120-I137 PolarHBondContact N-O 3.26Å; I120-I137 PolarHBondContact O-N 3.1Å; I120-I141 HydrophobicContact CD1-CD1 3.92Å; I120-I141 HydrophobicContact CG1-CD1 3.92Å; I120-V145 HydrophobicContact CG1-CG1 4.29Å; I120-V145 HydrophobicContact CG1-CG2 4.02Å; I120-L148 HydrophobicContact CD1-CD2 3.75Å; I120-L148 HydrophobicContact CG1-CD2 4.12Å; I120-L148 HydrophobicContact CG2-CD1 4.22Å; I120-L148 HydrophobicContact CG2-CD2 4.32Å; I120-L157 HydrophobicContact CD1-CD2 4.4Å; I120-L157 HydrophobicContact CG2-CD2 3.9Å; I120-A159 HydrophobicContact CD1-CB 3.65Å; I120-F169 HydrophobicContact CD1-CD2 4.24Å; I120-F169 HydrophobicContact CD1-CE2 4.36Å
121	S	98.9	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.7	171.6	-59.5	0	0	0	0	109.7	L93 A112 V113 L119 H136	L93-S121 PolarHBondContact O-OG 3.29Å; A112-S121 CarbonylContact C-O 3.42Å; A112-S121 WeakPolarHBondContact CA-O 3.18Å; V113-S121 PolarHBondContact N-O 3.21Å; V113-S121 PolarHBondContact O-N 2.73Å; L119-S121 WeakPolarHBondContact CD1-OG 3.16Å; S121-H136 PolarHBondContact OG-CD2 2.91Å; S121-H136 PolarHBondContact OG-NE2 3.48Å
122	V	98.9	Very high	96.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.9	172.8	-177.2	0	0	0	0	107.5	K110 F111 I120 S134 K135 I137 W150 A171 I173 F191	K110-V122 HydrophobicContact CD-CG1 4.18Å; F111-V122 CarbonylContact O-C 3.59Å; F111-V122 WeakPolarHBondContact O-CA 3.09Å; I120-V122 HydrophobicContact CG2-CG2 4.42Å; V122-S134 CarbonylContact O-C 3.57Å; V122-S134 WeakPolarHBondContact O-CA 3.36Å; V122-K135 PolarHBondContact N-O 3.32Å; V122-K135 PolarHBondContact O-N 2.78Å; V122-I137 HydrophobicContact CG2-CD1 3.98Å; V122-I137 HydrophobicContact CG2-CG1 4.33Å; V122-W150 HydrophobicContact CG1-CH2 4.23Å; V122-A171 HydrophobicContact CG1-CB 4.25Å; V122-A171 HydrophobicContact CG2-CB 3.83Å; V122-I173 HydrophobicContact CG1-CD1 4.29Å; V122-I173 HydrophobicContact CG1-CG1 4.2Å; V122-F191 HydrophobicContact CB-CE2 4.01Å; V122-F191 HydrophobicContact CB-CZ 4.4Å; V122-F191 HydrophobicContact CG1-CE2 4.46Å; V122-F191 HydrophobicContact CG2-CE2 3.98Å; V122-F191 HydrophobicContact CG2-CZ 4.32Å
123	C	98.8	Very high	96.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.8	-173.6	-52.2	0	0	0	0	110.7	V91 K110 F111 W132 V133	V91-C123 HydrophobicContact CG1-CB 4.17Å; K110-C123 CarbonylContact C-O 3.54Å; K110-C123 WeakPolarHBondContact CA-O 3.36Å; K110-C123 WeakPolarHBondContact CB-O 3.36Å; F111-C123 HydrophobicContact CD1-CB 4.15Å; F111-C123 HydrophobicContact CD2-CB 4.02Å; F111-C123 HydrophobicContact CE1-CB 3.72Å; F111-C123 HydrophobicContact CE2-CB 3.56Å; F111-C123 HydrophobicContact CG-CB 4.31Å; F111-C123 HydrophobicContact CZ-CB 3.41Å; F111-C123 VanDerWaalsContact CZ-CB 3.41Å; F111-C123 PolarHBondContact N-O 3.07Å; F111-C123 PolarHBondContact O-N 3.07Å; C123-W132 HydrophobicContact CB-CE3 4.48Å; C123-V133 CarbonylContact C-O 3.56Å; C123-V133 WeakPolarHBondContact CA-O 3.36Å
124	Y	98.4	Very high	96.6	Very high	8 Å²	8	47 Å²	47	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	156.8	177.2	65	-86.4	0	0	0	110	V133 K135 I173 E175 V176	Y124-V133 HydrophobicContact CE1-CB 4.24Å; Y124-V133 HydrophobicContact CE1-CG1 4.33Å; Y124-V133 HydrophobicContact CE2-CB 4.31Å; Y124-V133 PolarHBondContact N-O 3.42Å; Y124-V133 PolarHBondContact O-N 3.44Å; Y124-K135 HydrophobicContact CE1-CD 4.32Å; Y124-K135 HydrophobicContact CE1-CG 4.21Å; Y124-K135 WeakPolarHBondContact OH-CE 3.47Å; Y124-I173 HydrophobicContact CD1-CD1 4.26Å; Y124-I173 HydrophobicContact CD1-CG1 4.14Å; Y124-I173 HydrophobicContact CD1-CG2 3.75Å; Y124-I173 HydrophobicContact CD2-CG2 4.28Å; Y124-I173 HydrophobicContact CE1-CD1 4.16Å; Y124-I173 HydrophobicContact CE1-CG1 4.41Å; Y124-I173 HydrophobicContact CE1-CG2 3.61Å; Y124-I173 HydrophobicContact CE2-CG2 4.17Å; Y124-I173 HydrophobicContact CG-CG2 4.08Å; Y124-E175 HydrophobicContact CE2-CB 4.34Å; Y124-V176 HydrophobicContact CD2-CG1 3.74Å; Y124-V176 HydrophobicContact CE2-CG1 4.48Å; Y124-V176 HydrophobicContact CG-CG1 4.31Å; Y124-V176 HydrophobicContact CG-CG2 4.37Å
125	F	96.9	Very high	96.6	Very high	71 Å²	71	49.7 Å²	49.7	31%	0.311	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.3	-178.3	-169.2	-103.5	0	0	0	110.3	D130 W132	F125-D130 VanDerWaalsContact CZ-OD1 3.31Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.45Å; F125-W132 HydrophobicContact CB-CD2 4.23Å; F125-W132 HydrophobicContact CB-CE3 4.13Å; F125-W132 HydrophobicContact CB-CH2 4.02Å; F125-W132 HydrophobicContact CB-CZ2 4.14Å; F125-W132 HydrophobicContact CB-CZ3 4.03Å; F125-W132 AromaticContact CD2-CD1 3.88Å; F125-W132 AromaticContact CD2-CD2 3.97Å; F125-W132 HydrophobicContact CD2-CD2 3.97Å; F125-W132 AromaticContact CD2-CE2 3.71Å; F125-W132 HydrophobicContact CD2-CG 4.06Å; F125-W132 HydrophobicContact CD2-CZ2 4.19Å; F125-W132 AromaticContact CD2-NE1 3.66Å
126	E	94.7	Very high	96.6	Very high	51 Å²	51	52.1 Å²	52.1	24%	0.238	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102.2	176.3	-174.3	176.3	-102.4	0	0	109	E128 N129 D130 W131 V133	E126-E128 VanDerWaalsContact C-N 3.26Å; E126-E128 PolarHBondContact O-N 3.27Å; E126-N129 PolarHBondContact O-N 3.26Å; E126-N129 PolarHBondContact OE2-ND2 3.45Å; E126-D130 PolarHBondContact O-N 2.89Å; E126-D130 VanDerWaalsContact O-N 3.07Å; E126-W131 PolarHBondContact N-O 3.21Å; E126-W131 PolarHBondContact OE2-NE1 3.21Å; E126-V133 HydrophobicContact CB-CG2 3.81Å
127	S	91.3	Very high	96.6	Very high	100 Å²	100	51.4 Å²	51.4	70%	0.699	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.8	-173.1	53.3	0	0	0	0	114.2	N129	S127-N129 VanDerWaalsContact C-N 3.26Å; S127-N129 PolarHBondContact O-N 3.15Å
128	E	91.7	Very high	96.6	Very high	173 Å²	173	57.1 Å²	57.1	81%	0.808	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.5	-179.6	-64.8	-176.1	174.5	0	0	112.2	E126	E126-E128 VanDerWaalsContact C-N 3.26Å; E126-E128 PolarHBondContact O-N 3.27Å
129	N	91.2	Very high	96.4	Very high	103 Å²	103	58.7 Å²	58.7	55%	0.551	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	3.7	-174.2	-71.9	-44.9	0	0	0	112.4	E126 S127 W131	E126-N129 PolarHBondContact O-N 3.26Å; E126-N129 PolarHBondContact OE2-ND2 3.45Å; S127-N129 VanDerWaalsContact C-N 3.26Å; S127-N129 PolarHBondContact O-N 3.15Å; N129-W131 VanDerWaalsContact C-N 3.33Å; N129-W131 HydrophobicContact CB-CG 4.32Å; N129-W131 PolarHBondContact O-N 3.4Å
130	D	92.4	Very high	96.4	Very high	131 Å²	131	60 Å²	60	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.6	178	-161	41.6	0	0	0	114.3	F125 E126	F125-D130 VanDerWaalsContact CZ-OD1 3.31Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.45Å; E126-D130 PolarHBondContact O-N 2.89Å; E126-D130 VanDerWaalsContact O-N 3.07Å
131	W	94.1	Very high	96.3	Very high	117 Å²	117	60.7 Å²	60.7	44%	0.443	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	161.6	-176.1	74.3	-56.8	0	0	0	113.7	E126 N129 V133	E126-W131 PolarHBondContact N-O 3.21Å; E126-W131 PolarHBondContact OE2-NE1 3.21Å; N129-W131 VanDerWaalsContact C-N 3.33Å; N129-W131 HydrophobicContact CB-CG 4.32Å; N129-W131 PolarHBondContact O-N 3.4Å; W131-V133 HydrophobicContact CD2-CG2 4Å; W131-V133 HydrophobicContact CE3-CG2 4.23Å; W131-V133 HydrophobicContact CH2-CB 4.43Å; W131-V133 HydrophobicContact CH2-CG1 4.3Å; W131-V133 HydrophobicContact CH2-CG2 3.77Å; W131-V133 HydrophobicContact CZ2-CG2 3.49Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.49Å; W131-V133 HydrophobicContact CZ3-CG2 4.11Å
132	W	97.3	Very high	96.2	Very high	15 Å²	15	69.8 Å²	69.8	6%	0.057	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124	176.7	-72	92.7	0	0	0	111.8	V78 V91 W104 F111 C123 F125	V78-W132 HydrophobicContact CB-CZ2 4.14Å; V78-W132 HydrophobicContact CG1-CZ2 3.93Å; V78-W132 HydrophobicContact CG2-CD2 4.39Å; V78-W132 HydrophobicContact CG2-CH2 4.26Å; V78-W132 HydrophobicContact CG2-CZ2 3.75Å; V91-W132 HydrophobicContact CB-CB 4.25Å; V91-W132 HydrophobicContact CG1-CB 3.84Å; V91-W132 HydrophobicContact CG1-CG 4.47Å; V91-W132 HydrophobicContact CG2-CB 3.86Å; V91-W132 HydrophobicContact CG2-CD2 4.12Å; V91-W132 HydrophobicContact CG2-CG 3.66Å; W104-W132 AromaticContact CH2-CH2 3.56Å; W104-W132 HydrophobicContact CH2-CH2 3.56Å; W104-W132 HydrophobicContact CH2-CZ2 4.12Å; W104-W132 HydrophobicContact CH2-CZ3 4.34Å; W104-W132 AromaticContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CZ3 4.34Å; F111-W132 HydrophobicContact CD1-CE3 4.3Å; F111-W132 HydrophobicContact CD1-CH2 4.25Å; F111-W132 AromaticContact CD1-CZ3 3.76Å; F111-W132 HydrophobicContact CD1-CZ3 3.76Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.52Å; F111-W132 HydrophobicContact CE1-CE3 3.52Å; F111-W132 AromaticContact CE1-CH2 3.96Å; F111-W132 HydrophobicContact CE1-CH2 3.96Å; F111-W132 AromaticContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CZ-CE3 4.33Å; C123-W132 HydrophobicContact CB-CE3 4.48Å; F125-W132 HydrophobicContact CB-CD2 4.23Å; F125-W132 HydrophobicContact CB-CE3 4.13Å; F125-W132 HydrophobicContact CB-CH2 4.02Å; F125-W132 HydrophobicContact CB-CZ2 4.14Å; F125-W132 HydrophobicContact CB-CZ3 4.03Å; F125-W132 AromaticContact CD2-CD1 3.88Å; F125-W132 AromaticContact CD2-CD2 3.97Å; F125-W132 HydrophobicContact CD2-CD2 3.97Å; F125-W132 AromaticContact CD2-CE2 3.71Å; F125-W132 HydrophobicContact CD2-CG 4.06Å; F125-W132 HydrophobicContact CD2-CZ2 4.19Å; F125-W132 AromaticContact CD2-NE1 3.66Å
133	V	97	Very high	96.2	Very high	19 Å²	19	71.4 Å²	71.4	12%	0.115	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.8	176.7	-171.8	0	0	0	0	109.7	C123 Y124 E126 W131	C123-V133 CarbonylContact C-O 3.56Å; C123-V133 WeakPolarHBondContact CA-O 3.36Å; Y124-V133 HydrophobicContact CE1-CB 4.24Å; Y124-V133 HydrophobicContact CE1-CG1 4.33Å; Y124-V133 HydrophobicContact CE2-CB 4.31Å; Y124-V133 PolarHBondContact N-O 3.42Å; Y124-V133 PolarHBondContact O-N 3.44Å; E126-V133 HydrophobicContact CB-CG2 3.81Å; W131-V133 HydrophobicContact CD2-CG2 4Å; W131-V133 HydrophobicContact CE3-CG2 4.23Å; W131-V133 HydrophobicContact CH2-CB 4.43Å; W131-V133 HydrophobicContact CH2-CG1 4.3Å; W131-V133 HydrophobicContact CH2-CG2 3.77Å; W131-V133 HydrophobicContact CZ2-CG2 3.49Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.49Å; W131-V133 HydrophobicContact CZ3-CG2 4.11Å
134	S	97.1	Very high	96.2	Very high	6 Å²	6	73.3 Å²	73.3	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.6	173.9	58.1	0	0	0	0	111.5	I92 R94 V122	I92-S134 PolarHBondContact O-OG 3.4Å; R94-S134 PolarHBondContact NE-OG 2.93Å; R94-S134 PolarHBondContact NH2-O 2.99Å; V122-S134 CarbonylContact O-C 3.57Å; V122-S134 WeakPolarHBondContact O-CA 3.36Å
135	K	98.4	Very high	96.2	Very high	58 Å²	58	73 Å²	73	25%	0.252	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.3	164.6	-67.6	-172.5	-172.1	166.9	0	109.6	V122 Y124 I173 E175 F191	V122-K135 PolarHBondContact N-O 3.32Å; V122-K135 PolarHBondContact O-N 2.78Å; Y124-K135 HydrophobicContact CE1-CD 4.32Å; Y124-K135 HydrophobicContact CE1-CG 4.21Å; Y124-K135 WeakPolarHBondContact OH-CE 3.47Å; K135-I173 HydrophobicContact CB-CD1 4.36Å; K135-I173 HydrophobicContact CD-CD1 3.8Å; K135-I173 HydrophobicContact CG-CD1 4.41Å; K135-E175 IonicContact NZ-OE1 3.17Å; K135-E175 PolarHBondContact NZ-OE1 3.08Å; K135-E175 IonicContact NZ-OE2 3.7Å; K135-E175 PolarHBondContact NZ-OE2 3.12Å; K135-F191 HydrophobicContact CB-CE1 3.77Å; K135-F191 HydrophobicContact CB-CE2 3.94Å; K135-F191 HydrophobicContact CB-CZ 3.4Å; K135-F191 VanDerWaalsContact CB-CZ 3.4Å
136	H	98.8	Very high	96.3	Very high	51 Å²	51	71.7 Å²	71.7	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.1	-171.4	-64.7	163	0	0	0	113.3	L93 R94 I120 S121 F191	L93-H136 PolarHBondContact O-NE2 2.79Å; R94-H136 PolarHBondContact O-CE1 2.8Å; I120-H136 WeakPolarHBondContact O-CA 3.35Å; S121-H136 PolarHBondContact OG-CD2 2.91Å; S121-H136 PolarHBondContact OG-NE2 3.48Å; H136-F191 WeakPolarHBondContact O-CE1 3.44Å
137	I	98.8	Very high	96.5	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.7	164.9	-54	177.5	0	0	0	107.2	L119 I120 V122 F169 A171 F191	L119-I137 CarbonylContact C-O 3.59Å; L119-I137 VanDerWaalsContact CA-O 3.28Å; L119-I137 WeakPolarHBondContact CA-O 3.31Å; L119-I137 WeakPolarHBondContact CB-O 3.33Å; I120-I137 HydrophobicContact CB-CB 4.29Å; I120-I137 PolarHBondContact N-O 3.26Å; I120-I137 PolarHBondContact O-N 3.1Å; V122-I137 HydrophobicContact CG2-CD1 3.98Å; V122-I137 HydrophobicContact CG2-CG1 4.33Å; I137-F169 HydrophobicContact CD1-CB 4.01Å; I137-F169 HydrophobicContact CG2-CB 4.35Å; I137-F169 HydrophobicContact CG2-CD1 3.59Å; I137-F169 HydrophobicContact CG2-CD2 4.24Å; I137-F169 HydrophobicContact CG2-CE1 3.79Å; I137-F169 HydrophobicContact CG2-CE2 4.41Å; I137-F169 HydrophobicContact CG2-CG 3.82Å; I137-F169 HydrophobicContact CG2-CZ 4.2Å; I137-A171 HydrophobicContact CD1-CB 4.21Å; I137-F191 HydrophobicContact CD1-CE2 4.43Å; I137-F191 HydrophobicContact CD1-CZ 4.42Å; I137-F191 HydrophobicContact CG1-CE1 4.11Å; I137-F191 HydrophobicContact CG1-CE2 4.14Å; I137-F191 HydrophobicContact CG1-CZ 3.66Å
138	K	97.4	Very high	96.9	Very high	137 Å²	137	64.8 Å²	64.8	60%	0.596	30%	0.304	S	S	*	.			trans	-113.9	-53.2	-171.9	-170.6	174.1	-176.1	172.3	0	113.7	L119 I141	L119-K138 HydrophobicContact CB-CB 4.37Å; L119-K138 HydrophobicContact CB-CG 4.4Å; K138-I141 WeakPolarHBondContact O-CB 3.38Å; K138-I141 PolarHBondContact O-N 2.98Å
139	K	95.1	Very high	97.2	Very high	178 Å²	178	57.8 Å²	57.8	77%	0.774	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	143.4	-178.6	-67.2	-175.5	179.3	-179.3	0	110.4
140	P	97.4	Very high	97.6	Very high	41 Å²	41	53.5 Å²	53.5	27%	0.266	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.8	25.1	-0.4	39.3	-37.4	0	0	0	114.4	R142 L194	P140-R142 WeakPolarHBondContact O-CG 3.5Å; P140-R142 PolarHBondContact O-N 3.23Å; P140-L194 HydrophobicContact CG-CD2 3.93Å
141	I	98.3	Very high	97.9	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.072	22%	0.218	C	C	.	.			trans	-60.3	125	-175.5	-56.2	171	0	0	0	110.4	R118 I120 K138 S143 V145 F169	R118-I141 HydrophobicContact CB-CG2 4.33Å; I120-I141 HydrophobicContact CD1-CD1 3.92Å; I120-I141 HydrophobicContact CG1-CD1 3.92Å; K138-I141 WeakPolarHBondContact O-CB 3.38Å; K138-I141 PolarHBondContact O-N 2.98Å; I141-S143 VanDerWaalsContact CG2-O 3.28Å; I141-S143 WeakPolarHBondContact CG2-O 3Å; I141-V145 HydrophobicContact CD1-CG2 4.16Å; I141-V145 HydrophobicContact CG2-CG2 3.93Å; I141-F169 HydrophobicContact CD1-CE2 4.04Å; I141-F169 HydrophobicContact CD1-CZ 4.1Å; I141-F169 HydrophobicContact CG1-CE2 4.15Å; I141-F169 HydrophobicContact CG1-CZ 3.86Å
142	R	97	Very high	98.1	Very high	191 Å²	191	45.1 Å²	45.1	72%	0.721	22%	0.216	S	C	*	.			trans	-112.8	-6.3	-175	-52.5	-163.9	-174	-162	2.9	114.7	R118 P140 D163	R118-R142 VanDerWaalsContact CD-O 3.31Å; R118-R142 WeakPolarHBondContact CD-O 3.21Å; R118-R142 PolarHBondContact NE-O 3.47Å; P140-R142 WeakPolarHBondContact O-CG 3.5Å; P140-R142 PolarHBondContact O-N 3.23Å; R142-D163 HydrophobicContact CB-CB 4.02Å; R142-D163 PolarHBondContact N-OD2 3.36Å
143	S	97.9	Very high	98.1	Very high	34 Å²	34	46.7 Å²	46.7	24%	0.238	23%	0.225	C	C	.	.	S	Bend	trans	-147.3	-177.3	179.5	-157.2	0	0	0	0	111.5	R118 I141 V145 C162	R118-S143 WeakPolarHBondContact CA-O 3.28Å; I141-S143 VanDerWaalsContact CG2-O 3.28Å; I141-S143 WeakPolarHBondContact CG2-O 3Å; S143-V145 PolarHBondContact O-N 2.79Å; S143-C162 VanDerWaalsContact OG-CB 3.25Å; S143-C162 WeakPolarHBondContact OG-CB 3.31Å
144	T	98.7	Very high	98.2	Very high	40 Å²	40	45.9 Å²	45.9	25%	0.245	22%	0.221	C	C	.	.			trans	-54.5	132.6	178.5	-59	0	0	0	0	111.3	T100 L146 S161 C162	T100-T144 HydrophobicContact CG2-CG2 3.74Å; T144-L146 HydrophobicContact CG2-CD2 4.11Å; T144-S161 CarbonylContact O-C 3.52Å; T144-S161 VanDerWaalsContact O-CA 3.23Å; T144-S161 WeakPolarHBondContact O-CA 3.35Å; T144-S161 VanDerWaalsContact O-CB 3.23Å; T144-S161 WeakPolarHBondContact O-CB 3.45Å; T144-C162 PolarHBondContact O-N 2.9Å
145	V	98.9	Very high	98.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.6	170.3	-178.7	0	0	0	0	108.2	T100 S115 I120 I141 S143 L148 A159	T100-V145 WeakPolarHBondContact CB-O 3.29Å; T100-V145 PolarHBondContact OG1-O 3.15Å; S115-V145 PolarHBondContact O-N 2.87Å; I120-V145 HydrophobicContact CG1-CG1 4.29Å; I120-V145 HydrophobicContact CG1-CG2 4.02Å; I141-V145 HydrophobicContact CD1-CG2 4.16Å; I141-V145 HydrophobicContact CG2-CG2 3.93Å; S143-V145 PolarHBondContact O-N 2.79Å; V145-L148 HydrophobicContact CG1-CD2 3.92Å; V145-L148 HydrophobicContact CG1-CG 4.29Å; V145-A159 HydrophobicContact CG1-CB 4.37Å
146	L	98.8	Very high	98.3	Very high	44 Å²	44	43 Å²	43	23%	0.23	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-31.7	-174.9	-67	179.6	0	0	0	113	F101 T144 G160 C162 W206	F101-L146 WeakPolarHBondContact CD2-O 3.46Å; T144-L146 HydrophobicContact CG2-CD2 4.11Å; L146-G160 PolarHBondContact N-O 2.98Å; L146-C162 VanDerWaalsContact CD1-SG 3.58Å; L146-W206 HydrophobicContact CD1-CB 3.85Å
147	S	98.8	Very high	98.3	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.9	-175.4	47.7	0	0	0	0	111.8	A159 G160 H208 S209 V210	S147-A159 WeakPolarHBondContact O-CA 3.37Å; S147-G160 PolarHBondContact N-O 3.09Å; S147-G160 PolarHBondContact O-N 3.03Å; S147-H208 WeakPolarHBondContact CB-O 3.35Å; S147-H208 PolarHBondContact OG-O 3.46Å; S147-S209 VanDerWaalsContact OG-CA 3.24Å; S147-S209 WeakPolarHBondContact OG-CA 3.22Å; S147-S209 PolarHBondContact OG-N 3.5Å; S147-V210 PolarHBondContact OG-N 3.09Å
148	L	98.9	Very high	98.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.9	178.2	-63.9	172	0	0	0	109.5	F101 A112 I120 V145 L157 A158 A159	F101-L148 HydrophobicContact CD1-CB 3.92Å; F101-L148 HydrophobicContact CD1-CG 4.31Å; F101-L148 HydrophobicContact CE1-CB 4.27Å; F101-L148 WeakPolarHBondContact CE1-O 3.29Å; A112-L148 HydrophobicContact CB-CD1 3.83Å; I120-L148 HydrophobicContact CD1-CD2 3.75Å; I120-L148 HydrophobicContact CG1-CD2 4.12Å; I120-L148 HydrophobicContact CG2-CD1 4.22Å; I120-L148 HydrophobicContact CG2-CD2 4.32Å; V145-L148 HydrophobicContact CG1-CD2 3.92Å; V145-L148 HydrophobicContact CG1-CG 4.29Å; L148-L157 HydrophobicContact CB-CD1 4.24Å; L148-L157 HydrophobicContact CD2-CD1 4.37Å; L148-L157 HydrophobicContact CD2-CD2 4.24Å; L148-L157 HydrophobicContact CD2-CG 4.28Å; L148-A158 VanDerWaalsContact CA-O 3.3Å; L148-A158 WeakPolarHBondContact CA-O 3.41Å; L148-A159 HydrophobicContact CD2-CB 3.72Å
149	D	98.9	Very high	98.3	Very high	27 Å²	27	34.1 Å²	34.1	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	134.1	167.5	-168.2	43	0	0	0	110.2	A158 V210 S211 F212 K337	D149-A158 PolarHBondContact N-O 3.42Å; D149-A158 VanDerWaalsContact N-O 3.16Å; D149-A158 PolarHBondContact O-N 3.3Å; D149-V210 HydrophobicContact CB-CG2 4.14Å; D149-S211 VanDerWaalsContact OD2-CA 3.27Å; D149-S211 WeakPolarHBondContact OD2-CA 3.36Å; D149-F212 PolarHBondContact OD2-N 2.95Å; D149-K337 IonicContact OD1-NZ 3.34Å; D149-K337 PolarHBondContact OD1-NZ 2.72Å; D149-K337 IonicContact OD2-NZ 3.36Å; D149-K337 PolarHBondContact OD2-NZ 2.75Å
150	W	98.9	Very high	98.5	Very high	13 Å²	13	25.6 Å²	25.6	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.7	-178.4	-73.5	94.3	0	0	0	110.6	K103 W104 P106 A112 V122 N154 L157 A171	K103-W150 PolarHBondContact O-NE1 2.9Å; W104-W150 PolarHBondContact O-NE1 2.96Å; P106-W150 HydrophobicContact CG-CB 4.13Å; A112-W150 HydrophobicContact CB-CZ2 3.61Å; V122-W150 HydrophobicContact CG1-CH2 4.23Å; W150-N154 WeakPolarHBondContact CZ3-O 3.44Å; W150-L157 HydrophobicContact CD2-CD1 3.75Å; W150-L157 HydrophobicContact CE3-CB 4.34Å; W150-L157 HydrophobicContact CE3-CD1 4.22Å; W150-L157 HydrophobicContact CG-CD1 3.96Å; W150-L157 HydrophobicContact CZ2-CD1 4.36Å; W150-L157 HydrophobicContact CZ3-CB 4.43Å; W150-A171 HydrophobicContact CH2-CB 3.59Å; W150-A171 HydrophobicContact CZ3-CB 3.63Å
151	H	98.8	Very high	98.6	Very high	9 Å²	9	23.8 Å²	23.8	4%	0.042	12%	0.12	C	C	.	.			trans	-69.3	148.7	166.5	-177	-85.1	0	0	0	110	N153 N154 L156 F212 G216	H151-N153 WeakPolarHBondContact ND1-CB 3.5Å; H151-N153 PolarHBondContact ND1-N 3.08Å; H151-N153 PolarHBondContact ND1-OD1 2.95Å; H151-N153 PolarHBondContact O-N 3.08Å; H151-N154 PolarHBondContact O-N 3.42Å; H151-L156 HydrophobicContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-O 3.26Å; H151-L156 WeakPolarHBondContact CB-O 3.41Å; H151-L156 PolarHBondContact N-O 3.46Å; H151-F212 HydrophobicContact CB-CD2 3.92Å; H151-F212 HydrophobicContact CB-CE1 4.49Å; H151-F212 HydrophobicContact CB-CE2 3.75Å; H151-F212 HydrophobicContact CB-CG 4.34Å; H151-F212 HydrophobicContact CB-CZ 4.07Å; H151-F212 AromaticContact CD2-CD1 3.98Å; H151-F212 AromaticContact CD2-CE1 3.89Å; H151-G216 VanDerWaalsContact CD2-CA 3.47Å; H151-G216 WeakPolarHBondContact CD2-CA 3.24Å; H151-G216 PolarHBondContact CD2-O 3.06Å; H151-G216 VanDerWaalsContact CD2-O 3.25Å; H151-G216 WeakPolarHBondContact NE2-CA 3.47Å; H151-G216 PolarHBondContact NE2-O 3.26Å
152	P	98.3	Very high	98.5	Very high	63 Å²	63	24.1 Å²	24.1	41%	0.409	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.8	-178.7	20.8	-35.8	0	0	0	114.8	N154	P152-N154 PolarHBondContact O-N 3.42Å
153	N	98	Very high	98.5	Very high	48 Å²	48	16.1 Å²	16.1	26%	0.257	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	2.6	176.4	80.4	-11.7	0	0	0	115.2	H151 V155 L156	H151-N153 WeakPolarHBondContact ND1-CB 3.5Å; H151-N153 PolarHBondContact ND1-N 3.08Å; H151-N153 PolarHBondContact ND1-OD1 2.95Å; H151-N153 PolarHBondContact O-N 3.08Å; N153-V155 PolarHBondContact O-N 3.24Å; N153-V155 VanDerWaalsContact O-N 3.08Å; N153-V155 PolarHBondContact OD1-N 3.05Å; N153-L156 PolarHBondContact OD1-N 3.27Å
154	N	98.5	Very high	98.4	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.011	10%	0.104	C	C	.	.	S	Bend	trans	65.1	9	177.9	-161.1	71.5	0	0	0	116	S105 P106 L107 N109 K110 W150 H151 P152 D177	S105-N154 WeakPolarHBondContact CB-OD1 3.38Å; S105-N154 PolarHBondContact OG-OD1 2.87Å; P106-N154 WeakPolarHBondContact CD-OD1 3.45Å; L107-N154 HydrophobicContact CB-CB 4.46Å; L107-N154 WeakPolarHBondContact CB-OD1 3.08Å; L107-N154 HydrophobicContact CD1-CB 3.9Å; L107-N154 HydrophobicContact CG-CB 3.82Å; L107-N154 PolarHBondContact N-OD1 3.47Å; N109-N154 PolarHBondContact ND2-ND2 3.4Å; N109-N154 PolarHBondContact OD1-ND2 2.83Å; N109-N154 PolarHBondContact OD1-OD1 3.02Å; K110-N154 PolarHBondContact NZ-ND2 3.27Å; K110-N154 PolarHBondContact NZ-O 2.95Å; W150-N154 WeakPolarHBondContact CZ3-O 3.44Å; H151-N154 PolarHBondContact O-N 3.42Å; P152-N154 PolarHBondContact O-N 3.42Å; N154-D177 PolarHBondContact ND2-OD1 3.01Å
155	V	98.6	Very high	98.4	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	10%	0.101	C	C	.	.	S	Bend	trans	-122.9	-50.5	-174.7	167.3	0	0	0	0	111.9	N153 A171 Y172 P180 M189	N153-V155 PolarHBondContact O-N 3.24Å; N153-V155 VanDerWaalsContact O-N 3.08Å; N153-V155 PolarHBondContact OD1-N 3.05Å; V155-A171 WeakPolarHBondContact O-CA 3.45Å; V155-A171 WeakPolarHBondContact O-CB 3.2Å; V155-A171 PolarHBondContact O-N 3.33Å; V155-Y172 HydrophobicContact CG2-CD2 4.27Å; V155-P180 HydrophobicContact CB-CB 4.39Å; V155-P180 HydrophobicContact CG1-CB 4.32Å; V155-P180 HydrophobicContact CG1-CG 4.27Å; V155-P180 HydrophobicContact CG2-CB 4.09Å; V155-P180 HydrophobicContact CG2-CG 4.43Å; V155-M189 HydrophobicContact CG1-CB 4.39Å; V155-M189 HydrophobicContact CG1-SD 4.27Å
156	L	98.9	Very high	98.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140.8	179.1	-62.5	177.3	0	0	0	110.2	H151 N153 V168 F169 T183 W185 M189 M195	H151-L156 HydrophobicContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-O 3.26Å; H151-L156 WeakPolarHBondContact CB-O 3.41Å; H151-L156 PolarHBondContact N-O 3.46Å; N153-L156 PolarHBondContact OD1-N 3.27Å; L156-V168 HydrophobicContact CB-CG1 4.19Å; L156-V168 HydrophobicContact CD2-CG1 4.27Å; L156-F169 CarbonylContact C-O 3.49Å; L156-F169 WeakPolarHBondContact CA-O 3.5Å; L156-T183 HydrophobicContact CD1-CG2 4.24Å; L156-W185 HydrophobicContact CD1-CB 3.69Å; L156-W185 HydrophobicContact CD1-CG 3.78Å; L156-M189 HydrophobicContact CD1-SD 4.37Å; L156-M189 HydrophobicContact CD2-CG 4.09Å; L156-M189 HydrophobicContact CD2-SD 3.63Å; L156-M189 HydrophobicContact CG-SD 3.96Å; L156-M195 HydrophobicContact CD2-CG 3.65Å; L156-M195 HydrophobicContact CD2-SD 4.36Å
157	L	98.9	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.3	-176.1	179.8	65.2	0	0	0	109.2	A112 I120 L148 W150 V168 F169 A171	A112-L157 HydrophobicContact CB-CD1 4.17Å; A112-L157 HydrophobicContact CB-CD2 3.57Å; I120-L157 HydrophobicContact CD1-CD2 4.4Å; I120-L157 HydrophobicContact CG2-CD2 3.9Å; L148-L157 HydrophobicContact CB-CD1 4.24Å; L148-L157 HydrophobicContact CD2-CD1 4.37Å; L148-L157 HydrophobicContact CD2-CD2 4.24Å; L148-L157 HydrophobicContact CD2-CG 4.28Å; W150-L157 HydrophobicContact CD2-CD1 3.75Å; W150-L157 HydrophobicContact CE3-CB 4.34Å; W150-L157 HydrophobicContact CE3-CD1 4.22Å; W150-L157 HydrophobicContact CG-CD1 3.96Å; W150-L157 HydrophobicContact CZ2-CD1 4.36Å; W150-L157 HydrophobicContact CZ3-CB 4.43Å; L157-V168 WeakPolarHBondContact O-CA 3.38Å; L157-F169 PolarHBondContact N-O 2.93Å; L157-F169 PolarHBondContact O-N 3.09Å; L157-A171 HydrophobicContact CB-CB 4.17Å; L157-A171 HydrophobicContact CD2-CB 4.3Å
158	A	98.9	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.7	171.7	0	0	0	0	0	110	L148 D149 R167 V210 F212 L219	L148-A158 VanDerWaalsContact CA-O 3.3Å; L148-A158 WeakPolarHBondContact CA-O 3.41Å; D149-A158 PolarHBondContact N-O 3.42Å; D149-A158 VanDerWaalsContact N-O 3.16Å; D149-A158 PolarHBondContact O-N 3.3Å; A158-R167 CarbonylContact C-O 3.6Å; A158-R167 VanDerWaalsContact CA-O 3.25Å; A158-R167 WeakPolarHBondContact CA-O 3.37Å; A158-V210 HydrophobicContact CB-CB 4.25Å; A158-V210 HydrophobicContact CB-CG2 3.93Å; A158-F212 HydrophobicContact CB-CD2 3.98Å; A158-F212 HydrophobicContact CB-CE2 3.48Å; A158-F212 VanDerWaalsContact CB-CE2 3.48Å; A158-F212 HydrophobicContact CB-CZ 4.01Å; A158-L219 HydrophobicContact CB-CD1 3.55Å; A158-L219 HydrophobicContact CB-CD2 3.98Å; A158-L219 HydrophobicContact CB-CG 4.45Å
159	A	98.9	Very high	98.3	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.025	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	127.1	178	0	0	0	0	0	111.8	I120 V145 S147 L148 C166 R167 F169	I120-A159 HydrophobicContact CD1-CB 3.65Å; V145-A159 HydrophobicContact CG1-CB 4.37Å; S147-A159 WeakPolarHBondContact O-CA 3.37Å; L148-A159 HydrophobicContact CD2-CB 3.72Å; A159-C166 CarbonylContact O-C 3.57Å; A159-C166 WeakPolarHBondContact O-CA 3.49Å; A159-R167 PolarHBondContact N-O 2.79Å; A159-R167 PolarHBondContact O-N 2.82Å; A159-F169 HydrophobicContact CB-CE2 4.46Å
160	G	98.6	Very high	98.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.1	168.2	0	0	0	0	0	110.8	L146 S147 V207	L146-G160 PolarHBondContact N-O 2.98Å; S147-G160 PolarHBondContact N-O 3.09Å; S147-G160 PolarHBondContact O-N 3.03Å; G160-V207 CarbonylContact C-O 3.53Å
161	S	98.2	Very high	98.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.014	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.4	-177.5	54.9	0	0	0	0	114.5	T144 D163 F164 K165 R167 V207	T144-S161 CarbonylContact O-C 3.52Å; T144-S161 VanDerWaalsContact O-CA 3.23Å; T144-S161 WeakPolarHBondContact O-CA 3.35Å; T144-S161 VanDerWaalsContact O-CB 3.23Å; T144-S161 WeakPolarHBondContact O-CB 3.45Å; S161-D163 PolarHBondContact O-N 2.78Å; S161-D163 PolarHBondContact OG-OD1 2.87Å; S161-F164 PolarHBondContact O-N 3.07Å; S161-K165 PolarHBondContact N-O 2.64Å; S161-K165 PolarHBondContact OG-O 2.9Å; S161-R167 PolarHBondContact OG-NH1 2.87Å; S161-V207 PolarHBondContact O-N 3.06Å
162	C	97.5	Very high	98.3	Very high	22 Å²	22	17 Å²	17	15%	0.149	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-2	178.8	-70.3	0	0	0	0	114	S143 T144 L146 F164 W206	S143-C162 VanDerWaalsContact OG-CB 3.25Å; S143-C162 WeakPolarHBondContact OG-CB 3.31Å; T144-C162 PolarHBondContact O-N 2.9Å; L146-C162 VanDerWaalsContact CD1-SG 3.58Å; C162-F164 PolarHBondContact O-N 2.79Å; C162-W206 HydrophobicContact CB-CG 4.27Å
163	D	96.2	Very high	98.3	Very high	23 Å²	23	14.1 Å²	14.1	12%	0.123	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	14.7	169.9	70.6	9.6	0	0	0	112.3	R142 S161 K165 R167	R142-D163 HydrophobicContact CB-CB 4.02Å; R142-D163 PolarHBondContact N-OD2 3.36Å; S161-D163 PolarHBondContact O-N 2.78Å; S161-D163 PolarHBondContact OG-OD1 2.87Å; D163-K165 PolarHBondContact O-N 3.01Å; D163-K165 VanDerWaalsContact OD1-CB 3.29Å; D163-K165 WeakPolarHBondContact OD1-CB 3.46Å; D163-K165 WeakPolarHBondContact OD1-CG 3.43Å; D163-K165 PolarHBondContact OD1-N 2.84Å; D163-R167 IonicContact OD1-CZ 2.95Å; D163-R167 IonicContact OD1-NH1 2.91Å; D163-R167 PolarHBondContact OD1-NH1 3.46Å; D163-R167 IonicContact OD1-NH2 2.87Å; D163-R167 IonicContact OD2-CZ 3.5Å; D163-R167 IonicContact OD2-NH1 3.29Å; D163-R167 PolarHBondContact OD2-NH1 3.29Å; D163-R167 IonicContact OD2-NH2 3.08Å; D163-R167 PolarHBondContact OD2-NH2 3.06Å
164	F	97.2	Very high	98.2	Very high	96 Å²	96	19.7 Å²	19.7	42%	0.421	9%	0.09	S	C	.	.	S	Bend	trans	69.5	17.7	176.4	-37.3	-53.6	0	0	0	114.1	S161 C162 G205 W206	S161-F164 PolarHBondContact O-N 3.07Å; C162-F164 PolarHBondContact O-N 2.79Å; F164-G205 VanDerWaalsContact CD1-C 3.42Å; F164-G205 WeakPolarHBondContact CD1-O 3.46Å; F164-W206 AromaticContact CD1-CD1 3.85Å; F164-W206 AromaticContact CE1-CD1 3.44Å; F164-W206 VanDerWaalsContact CE1-CD1 3.44Å; F164-W206 AromaticContact CE1-NE1 3.74Å
165	K	97.3	Very high	98.1	Very high	42 Å²	42	24.9 Å²	24.9	18%	0.183	11%	0.114	C	C	.	.			trans	-111	140.9	179.8	-54.7	-59.3	-173	124.6	0	112.6	S161 D163 R167 E197 F198 G199	S161-K165 PolarHBondContact N-O 2.64Å; S161-K165 PolarHBondContact OG-O 2.9Å; D163-K165 PolarHBondContact O-N 3.01Å; D163-K165 VanDerWaalsContact OD1-CB 3.29Å; D163-K165 WeakPolarHBondContact OD1-CB 3.46Å; D163-K165 WeakPolarHBondContact OD1-CG 3.43Å; D163-K165 PolarHBondContact OD1-N 2.84Å; K165-R167 HydrophobicContact CB-CG 4.25Å; K165-E197 HydrophobicContact CB-CG 4.27Å; K165-E197 HydrophobicContact CD-CG 4.12Å; K165-E197 HydrophobicContact CG-CG 4.26Å; K165-E197 IonicContact NZ-OE1 2.79Å; K165-E197 PolarHBondContact NZ-OE1 3.06Å; K165-F198 VanDerWaalsContact CA-O 3.32Å; K165-F198 WeakPolarHBondContact CA-O 3.37Å; K165-F198 WeakPolarHBondContact CD-O 3.33Å; K165-G199 WeakPolarHBondContact CD-O 3.35Å; K165-G199 WeakPolarHBondContact CE-O 3.38Å; K165-G199 PolarHBondContact NZ-O 3.13Å
166	C	97.9	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.6	160.4	179.6	0	0	0	0	107.6	A159 F198 V207 W221	A159-C166 CarbonylContact O-C 3.57Å; A159-C166 WeakPolarHBondContact O-CA 3.49Å; C166-F198 HydrophobicContact CB-CB 4.32Å; C166-F198 PolarHBondContact N-O 3.35Å; C166-F198 VanDerWaalsContact N-O 3.1Å; C166-F198 PolarHBondContact O-N 3.14Å; C166-V207 HydrophobicContact CB-CG1 4.33Å; C166-W221 HydrophobicContact CB-CB 4.39Å; C166-W221 HydrophobicContact CB-CD2 3.84Å; C166-W221 HydrophobicContact CB-CE3 4.3Å; C166-W221 HydrophobicContact CB-CG 3.9Å
167	R	98.6	Very high	97.9	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.9	-175.9	-65.8	-176.2	-177.2	96.8	-5.1	111.4	A158 A159 S161 D163 K165 F169 L194 S196 E197	A158-R167 CarbonylContact C-O 3.6Å; A158-R167 VanDerWaalsContact CA-O 3.25Å; A158-R167 WeakPolarHBondContact CA-O 3.37Å; A159-R167 PolarHBondContact N-O 2.79Å; A159-R167 PolarHBondContact O-N 2.82Å; S161-R167 PolarHBondContact OG-NH1 2.87Å; D163-R167 IonicContact OD1-CZ 2.95Å; D163-R167 IonicContact OD1-NH1 2.91Å; D163-R167 PolarHBondContact OD1-NH1 3.46Å; D163-R167 IonicContact OD1-NH2 2.87Å; D163-R167 IonicContact OD2-CZ 3.5Å; D163-R167 IonicContact OD2-NH1 3.29Å; D163-R167 PolarHBondContact OD2-NH1 3.29Å; D163-R167 IonicContact OD2-NH2 3.08Å; D163-R167 PolarHBondContact OD2-NH2 3.06Å; K165-R167 HydrophobicContact CB-CG 4.25Å; R167-F169 HydrophobicContact CB-CD2 4.1Å; R167-F169 HydrophobicContact CB-CE2 3.53Å; R167-F169 HydrophobicContact CB-CZ 4.02Å; R167-F169 VanDerWaalsContact CD-CZ 3.46Å; R167-F169 HydrophobicContact CG-CE2 4.28Å; R167-F169 HydrophobicContact CG-CZ 4.38Å; R167-L194 HydrophobicContact CB-CD1 4.03Å; R167-L194 HydrophobicContact CG-CD1 4.12Å; R167-S196 WeakPolarHBondContact CA-O 3.36Å; R167-E197 HydrophobicContact CG-CB 4.21Å; R167-E197 HydrophobicContact CG-CG 3.97Å; R167-E197 IonicContact CZ-OE2 3.84Å; R167-E197 IonicContact NE-OE2 2.8Å; R167-E197 PolarHBondContact NE-OE2 2.89Å; R167-E197 IonicContact NH2-OE2 3.84Å; R167-E197 PolarHBondContact NH2-OE2 3.41Å
168	V	98.8	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.5	167.2	-179.2	0	0	0	0	108.4	L156 L157 W185 M195 S196 F212 L219	L156-V168 HydrophobicContact CB-CG1 4.19Å; L156-V168 HydrophobicContact CD2-CG1 4.27Å; L157-V168 WeakPolarHBondContact O-CA 3.38Å; V168-W185 HydrophobicContact CB-CE3 4.36Å; V168-W185 HydrophobicContact CG1-CE3 4.45Å; V168-W185 HydrophobicContact CG2-CE3 4.01Å; V168-W185 HydrophobicContact CG2-CH2 4.23Å; V168-W185 HydrophobicContact CG2-CZ3 3.81Å; V168-M195 HydrophobicContact CB-CB 4.19Å; V168-M195 HydrophobicContact CG1-CB 3.98Å; V168-M195 HydrophobicContact CG1-CG 4.19Å; V168-M195 WeakPolarHBondContact O-CB 3.18Å; V168-M195 PolarHBondContact O-N 3.12Å; V168-S196 PolarHBondContact N-O 3.46Å; V168-S196 PolarHBondContact O-N 3.32Å; V168-F212 HydrophobicContact CG1-CZ 4Å; V168-F212 HydrophobicContact CG2-CE1 4.47Å; V168-F212 HydrophobicContact CG2-CZ 3.97Å; V168-L219 HydrophobicContact CG2-CD2 3.49Å; V168-L219 VanDerWaalsContact CG2-CD2 3.49Å
169	F	98.9	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.8	175.6	-65.5	-81.9	0	0	0	111.4	I120 I137 I141 L156 L157 A159 R167 Q193 L194	I120-F169 HydrophobicContact CD1-CD2 4.24Å; I120-F169 HydrophobicContact CD1-CE2 4.36Å; I137-F169 HydrophobicContact CD1-CB 4.01Å; I137-F169 HydrophobicContact CG2-CB 4.35Å; I137-F169 HydrophobicContact CG2-CD1 3.59Å; I137-F169 HydrophobicContact CG2-CD2 4.24Å; I137-F169 HydrophobicContact CG2-CE1 3.79Å; I137-F169 HydrophobicContact CG2-CE2 4.41Å; I137-F169 HydrophobicContact CG2-CG 3.82Å; I137-F169 HydrophobicContact CG2-CZ 4.2Å; I141-F169 HydrophobicContact CD1-CE2 4.04Å; I141-F169 HydrophobicContact CD1-CZ 4.1Å; I141-F169 HydrophobicContact CG1-CE2 4.15Å; I141-F169 HydrophobicContact CG1-CZ 3.86Å; L156-F169 CarbonylContact C-O 3.49Å; L156-F169 WeakPolarHBondContact CA-O 3.5Å; L157-F169 PolarHBondContact N-O 2.93Å; L157-F169 PolarHBondContact O-N 3.09Å; A159-F169 HydrophobicContact CB-CE2 4.46Å; R167-F169 HydrophobicContact CB-CD2 4.1Å; R167-F169 HydrophobicContact CB-CE2 3.53Å; R167-F169 HydrophobicContact CB-CZ 4.02Å; R167-F169 VanDerWaalsContact CD-CZ 3.46Å; R167-F169 HydrophobicContact CG-CE2 4.28Å; R167-F169 HydrophobicContact CG-CZ 4.38Å; F169-Q193 CarbonylContact C-O 3.54Å; F169-Q193 VanDerWaalsContact CA-O 3.23Å; F169-Q193 WeakPolarHBondContact CA-O 3.3Å; F169-L194 HydrophobicContact CD1-CB 4.28Å; F169-L194 HydrophobicContact CD1-CD1 4.06Å; F169-L194 HydrophobicContact CE1-CB 4.13Å; F169-L194 HydrophobicContact CE1-CD1 3.65Å; F169-L194 HydrophobicContact CE1-CG 4.49Å; F169-L194 HydrophobicContact CZ-CD1 3.96Å
170	S	98.8	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.7	158.3	174.8	0	0	0	0	110.3	Y172 M189 P190 G192 Q193	S170-Y172 WeakPolarHBondContact OG-CB 3.21Å; S170-Y172 PolarHBondContact OG-N 3.37Å; S170-M189 PolarHBondContact OG-O 2.89Å; S170-P190 VanDerWaalsContact CB-O 3.23Å; S170-P190 WeakPolarHBondContact CB-O 3.49Å; S170-P190 PolarHBondContact OG-O 2.96Å; S170-G192 PolarHBondContact O-N 2.97Å; S170-Q193 PolarHBondContact N-O 2.91Å
171	A	98.7	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.			trans	-107.7	29.2	169.7	0	0	0	0	0	111.4	K110 V122 I137 W150 V155 L157 I173	K110-A171 WeakPolarHBondContact CE-O 3.3Å; V122-A171 HydrophobicContact CG1-CB 4.25Å; V122-A171 HydrophobicContact CG2-CB 3.83Å; I137-A171 HydrophobicContact CD1-CB 4.21Å; W150-A171 HydrophobicContact CH2-CB 3.59Å; W150-A171 HydrophobicContact CZ3-CB 3.63Å; V155-A171 WeakPolarHBondContact O-CA 3.45Å; V155-A171 WeakPolarHBondContact O-CB 3.2Å; V155-A171 PolarHBondContact O-N 3.33Å; L157-A171 HydrophobicContact CB-CB 4.17Å; L157-A171 HydrophobicContact CD2-CB 4.3Å; A171-I173 PolarHBondContact O-N 2.87Å
172	Y	98.6	Very high	97.3	Very high	47 Å²	47	54.2 Å²	54.2	18%	0.184	28%	0.276	C	S	.	.			trans	-59.7	125.7	177.9	172.9	-121.4	0	0	0	112.2	V155 S170 K174 D177 P180 M189 F191	V155-Y172 HydrophobicContact CG2-CD2 4.27Å; S170-Y172 WeakPolarHBondContact OG-CB 3.21Å; S170-Y172 PolarHBondContact OG-N 3.37Å; Y172-K174 HydrophobicContact CE1-CB 4.19Å; Y172-D177 HydrophobicContact CD2-CB 3.7Å; Y172-D177 HydrophobicContact CE2-CB 3.74Å; Y172-P180 HydrophobicContact CD2-CG 4.38Å; Y172-M189 WeakPolarHBondContact CB-O 3.26Å; Y172-F191 WeakPolarHBondContact O-CB 3.44Å; Y172-F191 WeakPolarHBondContact O-CD2 3.46Å
173	I	98.1	Very high	97.3	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.276	C	S	.	.			trans	-119.3	106.4	174.8	-56.8	-64.3	0	0	0	107.9	K110 V122 Y124 K135 A171 E175 V176 D177 F191	K110-I173 HydrophobicContact CD-CB 3.88Å; K110-I173 HydrophobicContact CD-CG1 3.42Å; K110-I173 VanDerWaalsContact CD-CG1 3.42Å; V122-I173 HydrophobicContact CG1-CD1 4.29Å; V122-I173 HydrophobicContact CG1-CG1 4.2Å; Y124-I173 HydrophobicContact CD1-CD1 4.26Å; Y124-I173 HydrophobicContact CD1-CG1 4.14Å; Y124-I173 HydrophobicContact CD1-CG2 3.75Å; Y124-I173 HydrophobicContact CD2-CG2 4.28Å; Y124-I173 HydrophobicContact CE1-CD1 4.16Å; Y124-I173 HydrophobicContact CE1-CG1 4.41Å; Y124-I173 HydrophobicContact CE1-CG2 3.61Å; Y124-I173 HydrophobicContact CE2-CG2 4.17Å; Y124-I173 HydrophobicContact CG-CG2 4.08Å; K135-I173 HydrophobicContact CB-CD1 4.36Å; K135-I173 HydrophobicContact CD-CD1 3.8Å; K135-I173 HydrophobicContact CG-CD1 4.41Å; A171-I173 PolarHBondContact O-N 2.87Å; I173-E175 HydrophobicContact CG2-CB 4.16Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.48Å; I173-E175 PolarHBondContact O-N 3.24Å; I173-V176 HydrophobicContact CB-CG2 3.78Å; I173-V176 HydrophobicContact CG2-CG2 3.75Å; I173-V176 PolarHBondContact O-N 2.78Å; I173-D177 PolarHBondContact N-OD2 3.31Å; I173-D177 VanDerWaalsContact O-CB 3.32Å; I173-D177 WeakPolarHBondContact O-CB 3.47Å; I173-D177 PolarHBondContact O-N 2.87Å; I173-F191 HydrophobicContact CD1-CD2 3.55Å; I173-F191 HydrophobicContact CD1-CE2 3.61Å; I173-F191 HydrophobicContact CD1-CG 4.5Å
174	K	96.6	Very high	97.4	Very high	166 Å²	166	56 Å²	56	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.7	-177.3	-178.7	-174.6	173.9	-169	0	112.8	Y172 V176	Y172-K174 HydrophobicContact CE1-CB 4.19Å; K174-V176 VanDerWaalsContact C-N 3.34Å
175	E	95.2	Very high	97.4	Very high	110 Å²	110	51.9 Å²	51.9	51%	0.514	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-26	-176	-57.9	87.2	163.7	0	0	113.3	Y124 K135 I173	Y124-E175 HydrophobicContact CE2-CB 4.34Å; K135-E175 IonicContact NZ-OE1 3.17Å; K135-E175 PolarHBondContact NZ-OE1 3.08Å; K135-E175 IonicContact NZ-OE2 3.7Å; K135-E175 PolarHBondContact NZ-OE2 3.12Å; I173-E175 HydrophobicContact CG2-CB 4.16Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.48Å; I173-E175 PolarHBondContact O-N 3.24Å
176	V	96.8	Very high	97.4	Very high	47 Å²	47	51 Å²	51	29%	0.285	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-6.7	-175.4	-57.4	0	0	0	0	114.4	N109 K110 Y124 I173 K174	N109-V176 PolarHBondContact ND2-O 2.86Å; K110-V176 HydrophobicContact CD-CG2 3.66Å; K110-V176 HydrophobicContact CG-CG2 3.67Å; Y124-V176 HydrophobicContact CD2-CG1 3.74Å; Y124-V176 HydrophobicContact CE2-CG1 4.48Å; Y124-V176 HydrophobicContact CG-CG1 4.31Å; Y124-V176 HydrophobicContact CG-CG2 4.37Å; I173-V176 HydrophobicContact CB-CG2 3.78Å; I173-V176 HydrophobicContact CG2-CG2 3.75Å; I173-V176 PolarHBondContact O-N 2.78Å; K174-V176 VanDerWaalsContact C-N 3.34Å
177	D	97.3	Very high	97.3	Very high	16 Å²	16	54.9 Å²	54.9	9%	0.086	30%	0.3	C	S	.	.	S	Bend	trans	-112	143.3	179.3	-67.3	-42.6	0	0	0	112.2	N109 K110 N154 Y172 I173	N109-D177 PolarHBondContact ND2-OD1 3.07Å; K110-D177 VanDerWaalsContact CE-OD2 3.29Å; K110-D177 WeakPolarHBondContact CE-OD2 3.45Å; K110-D177 IonicContact NZ-OD1 2.73Å; K110-D177 PolarHBondContact NZ-OD1 3.29Å; K110-D177 IonicContact NZ-OD2 2.89Å; K110-D177 PolarHBondContact NZ-OD2 3.38Å; N154-D177 PolarHBondContact ND2-OD1 3.01Å; Y172-D177 HydrophobicContact CD2-CB 3.7Å; Y172-D177 HydrophobicContact CE2-CB 3.74Å; I173-D177 PolarHBondContact N-OD2 3.31Å; I173-D177 VanDerWaalsContact O-CB 3.32Å; I173-D177 WeakPolarHBondContact O-CB 3.47Å; I173-D177 PolarHBondContact O-N 2.87Å
178	E	95.8	Very high	97.2	Very high	176 Å²	176	62.8 Å²	62.8	82%	0.822	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.5	154.1	161.4	-64.8	-176.5	178.8	0	0	110.7	P180	E178-P180 WeakPolarHBondContact O-CD 3.43Å; E178-P180 VanDerWaalsContact O-N 3.14Å
179	K	96.2	Very high	97.1	Very high	187 Å²	187	63.2 Å²	63.2	81%	0.813	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-60.5	119.9	177	-176.5	179	177.7	-177.4	0	109.1
180	P	95.4	Very high	97.1	Very high	31 Å²	31	66.5 Å²	66.5	20%	0.201	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-70	140.1	-173.9	27.7	-35.6	0	0	0	111.6	V155 Y172 E178 M189	V155-P180 HydrophobicContact CB-CB 4.39Å; V155-P180 HydrophobicContact CG1-CB 4.32Å; V155-P180 HydrophobicContact CG1-CG 4.27Å; V155-P180 HydrophobicContact CG2-CB 4.09Å; V155-P180 HydrophobicContact CG2-CG 4.43Å; Y172-P180 HydrophobicContact CD2-CG 4.38Å; E178-P180 WeakPolarHBondContact O-CD 3.43Å; E178-P180 VanDerWaalsContact O-N 3.14Å; P180-M189 HydrophobicContact CB-CE 3.68Å; P180-M189 HydrophobicContact CB-SD 4.36Å; P180-M189 HydrophobicContact CG-CB 4.22Å; P180-M189 HydrophobicContact CG-CE 3.82Å; P180-M189 HydrophobicContact CG-SD 4.44Å
181	A	96.2	Very high	97.1	Very high	78 Å²	78	69.5 Å²	69.5	65%	0.645	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-69.8	152.2	167.8	0	0	0	0	0	110.8	M189	A181-M189 WeakPolarHBondContact O-CE 3.19Å
182	S	96.9	Very high	97.1	Very high	89 Å²	89	70.6 Å²	70.6	62%	0.622	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-55.7	142.1	174.1	-63.7	0	0	0	0	111.2	S187	S182-S187 WeakPolarHBondContact OG-CB 3.37Å
183	T	97.6	Very high	97.1	Very high	23 Å²	23	72.6 Å²	72.6	14%	0.141	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-122.8	166.7	174.8	65.5	0	0	0	0	109.3	L156 W185 G186	L156-T183 HydrophobicContact CD1-CG2 4.24Å; T183-W185 PolarHBondContact O-N 3.38Å; T183-W185 VanDerWaalsContact O-N 3.12Å; T183-W185 WeakPolarHBondContact OG1-CB 3.3Å; T183-W185 PolarHBondContact OG1-N 2.97Å; T183-G186 PolarHBondContact N-O 3.27Å; T183-G186 VanDerWaalsContact N-O 3.14Å; T183-G186 CarbonylContact O-C 3.6Å; T183-G186 PolarHBondContact O-N 3Å; T183-G186 PolarHBondContact OG1-O 2.93Å
184	P	97.8	Very high	97.1	Very high	60 Å²	60	75.1 Å²	75.1	39%	0.39	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.3	170.4	-27.5	38.3	0	0	0	113.7	G186 N217 A233 M237	P184-G186 VanDerWaalsContact C-N 3.27Å; P184-G186 PolarHBondContact O-N 3.29Å; P184-N217 WeakPolarHBondContact CG-OD1 3.4Å; P184-A233 HydrophobicContact CB-CB 3.74Å; P184-A233 WeakPolarHBondContact CB-O 3.17Å; P184-M237 WeakPolarHBondContact O-CE 3.04Å
185	W	98.2	Very high	97.2	Very high	9 Å²	9	68.7 Å²	68.7	3%	0.034	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.6	173	-57.7	98.4	0	0	0	114.4	L156 V168 T183 M195 F198 F212 G216 L219 A231 A233 M237	L156-W185 HydrophobicContact CD1-CB 3.69Å; L156-W185 HydrophobicContact CD1-CG 3.78Å; V168-W185 HydrophobicContact CB-CE3 4.36Å; V168-W185 HydrophobicContact CG1-CE3 4.45Å; V168-W185 HydrophobicContact CG2-CE3 4.01Å; V168-W185 HydrophobicContact CG2-CH2 4.23Å; V168-W185 HydrophobicContact CG2-CZ3 3.81Å; T183-W185 PolarHBondContact O-N 3.38Å; T183-W185 VanDerWaalsContact O-N 3.12Å; T183-W185 WeakPolarHBondContact OG1-CB 3.3Å; T183-W185 PolarHBondContact OG1-N 2.97Å; W185-M195 WeakPolarHBondContact O-CE 3.22Å; W185-F198 HydrophobicContact CH2-CE2 4.28Å; W185-F198 HydrophobicContact CH2-CZ 4.34Å; W185-F198 AromaticContact CZ3-CE2 3.85Å; W185-F198 HydrophobicContact CZ3-CE2 3.85Å; W185-F198 AromaticContact CZ3-CZ 3.8Å; W185-F198 HydrophobicContact CZ3-CZ 3.8Å; W185-F212 AromaticContact CE2-CE1 3.74Å; W185-F212 HydrophobicContact CH2-CE1 4.46Å; W185-F212 HydrophobicContact CZ2-CD1 4.34Å; W185-F212 AromaticContact CZ2-CE1 3.66Å; W185-F212 HydrophobicContact CZ2-CE1 3.66Å; W185-F212 AromaticContact NE1-CE1 3.8Å; W185-G216 PolarHBondContact NE1-O 3.43Å; W185-L219 HydrophobicContact CH2-CB 3.75Å; W185-L219 HydrophobicContact CH2-CD2 4.37Å; W185-L219 HydrophobicContact CZ2-CB 3.98Å; W185-A231 HydrophobicContact CH2-CB 4.44Å; W185-A233 HydrophobicContact CD2-CB 3.54Å; W185-A233 HydrophobicContact CE3-CB 3.95Å; W185-A233 HydrophobicContact CG-CB 4Å; W185-A233 HydrophobicContact CH2-CB 4.02Å; W185-A233 HydrophobicContact CZ2-CB 3.62Å; W185-A233 HydrophobicContact CZ3-CB 4.18Å; W185-M237 HydrophobicContact CD2-CE 4.35Å; W185-M237 HydrophobicContact CD2-SD 4.31Å; W185-M237 HydrophobicContact CE3-CE 3.93Å; W185-M237 HydrophobicContact CE3-SD 3.43Å; W185-M237 HydrophobicContact CH2-SD 4.26Å; W185-M237 HydrophobicContact CZ3-CE 4.45Å; W185-M237 HydrophobicContact CZ3-SD 3.41Å; W185-M237 WeakPolarHBondContact CZ3-SD 3.1Å
186	G	96.8	Very high	97.3	Very high	25 Å²	25	64.2 Å²	64.2	26%	0.258	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	139.7	167.2	178.6	0	0	0	0	0	113.4	T183 P184	T183-G186 PolarHBondContact N-O 3.27Å; T183-G186 VanDerWaalsContact N-O 3.14Å; T183-G186 CarbonylContact O-C 3.6Å; T183-G186 PolarHBondContact O-N 3Å; T183-G186 PolarHBondContact OG1-O 2.93Å; P184-G186 VanDerWaalsContact C-N 3.27Å; P184-G186 PolarHBondContact O-N 3.29Å
187	S	95.9	Very high	97.3	Very high	80 Å²	80	65.5 Å²	65.5	56%	0.559	36%	0.364	S	S	*	.	S	Bend	trans	-102.1	-27.4	-176.9	56.4	0	0	0	0	114	S182	S182-S187 WeakPolarHBondContact OG-CB 3.37Å
188	K	96.8	Very high	97.2	Very high	173 Å²	173	65.6 Å²	65.6	75%	0.752	36%	0.364	S	S	*	.			trans	-99.6	107.9	179.8	-66.3	-175.3	-178.2	179.4	0	110	P190	K188-P190 WeakPolarHBondContact O-CD 3.29Å
189	M	97.4	Very high	96.7	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.049	35%	0.346	C	S	.	.			trans	-123.1	52.6	-175.5	-68.6	176.4	-83.6	0	0	113.1	V155 L156 S170 Y172 P180 A181 M195	V155-M189 HydrophobicContact CG1-CB 4.39Å; V155-M189 HydrophobicContact CG1-SD 4.27Å; L156-M189 HydrophobicContact CD1-SD 4.37Å; L156-M189 HydrophobicContact CD2-CG 4.09Å; L156-M189 HydrophobicContact CD2-SD 3.63Å; L156-M189 HydrophobicContact CG-SD 3.96Å; S170-M189 PolarHBondContact OG-O 2.89Å; Y172-M189 WeakPolarHBondContact CB-O 3.26Å; P180-M189 HydrophobicContact CB-CE 3.68Å; P180-M189 HydrophobicContact CB-SD 4.36Å; P180-M189 HydrophobicContact CG-CB 4.22Å; P180-M189 HydrophobicContact CG-CE 3.82Å; P180-M189 HydrophobicContact CG-SD 4.44Å; A181-M189 WeakPolarHBondContact O-CE 3.19Å; M189-M195 HydrophobicContact CG-CE 3.65Å; M189-M195 HydrophobicContact CG-SD 3.97Å
190	P	97.9	Very high	95.3	Very high	68 Å²	68	52.6 Å²	52.6	44%	0.442	33%	0.33	S	S	.	.			trans	-63.9	156.8	170.2	30	-32.2	0	0	0	110.6	S170 K188 G192 Q193	S170-P190 VanDerWaalsContact CB-O 3.23Å; S170-P190 WeakPolarHBondContact CB-O 3.49Å; S170-P190 PolarHBondContact OG-O 2.96Å; K188-P190 WeakPolarHBondContact O-CD 3.29Å; P190-G192 PolarHBondContact O-N 3Å; P190-Q193 HydrophobicContact CG-CB 4Å; P190-Q193 VanDerWaalsContact O-CB 3.23Å; P190-Q193 WeakPolarHBondContact O-CB 3.31Å; P190-Q193 PolarHBondContact O-N 2.85Å; P190-Q193 VanDerWaalsContact O-N 3.1Å
191	F	98.6	Very high	92.9	Very high	63 Å²	63	56.5 Å²	56.5	28%	0.276	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	131.4	-179.6	-177.9	-97.5	0	0	0	112.1	V122 K135 H136 I137 Y172 I173 Q193	V122-F191 HydrophobicContact CB-CE2 4.01Å; V122-F191 HydrophobicContact CB-CZ 4.4Å; V122-F191 HydrophobicContact CG1-CE2 4.46Å; V122-F191 HydrophobicContact CG2-CE2 3.98Å; V122-F191 HydrophobicContact CG2-CZ 4.32Å; K135-F191 HydrophobicContact CB-CE1 3.77Å; K135-F191 HydrophobicContact CB-CE2 3.94Å; K135-F191 HydrophobicContact CB-CZ 3.4Å; K135-F191 VanDerWaalsContact CB-CZ 3.4Å; H136-F191 WeakPolarHBondContact O-CE1 3.44Å; I137-F191 HydrophobicContact CD1-CE2 4.43Å; I137-F191 HydrophobicContact CD1-CZ 4.42Å; I137-F191 HydrophobicContact CG1-CE1 4.11Å; I137-F191 HydrophobicContact CG1-CE2 4.14Å; I137-F191 HydrophobicContact CG1-CZ 3.66Å; Y172-F191 WeakPolarHBondContact O-CB 3.44Å; Y172-F191 WeakPolarHBondContact O-CD2 3.46Å; I173-F191 HydrophobicContact CD1-CD2 3.55Å; I173-F191 HydrophobicContact CD1-CE2 3.61Å; I173-F191 HydrophobicContact CD1-CG 4.5Å; F191-Q193 VanDerWaalsContact C-N 3.26Å; F191-Q193 PolarHBondContact O-N 3.36Å
192	G	98.3	Very high	90.9	Very high	24 Å²	24	56.9 Å²	56.9	25%	0.247	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	1.1	178.1	0	0	0	0	0	115.1	S170 P190 L194	S170-G192 PolarHBondContact O-N 2.97Å; P190-G192 PolarHBondContact O-N 3Å; G192-L194 PolarHBondContact O-N 3.04Å
193	Q	98.5	Very high	88.9	Confident	88 Å²	88	55.7 Å²	55.7	41%	0.411	37%	0.368	S	S	.	.			trans	-60.3	127.7	175.4	-177.7	59.9	39	0	0	110.4	F169 S170 P190 F191 M195	F169-Q193 CarbonylContact C-O 3.54Å; F169-Q193 VanDerWaalsContact CA-O 3.23Å; F169-Q193 WeakPolarHBondContact CA-O 3.3Å; S170-Q193 PolarHBondContact N-O 2.91Å; P190-Q193 HydrophobicContact CG-CB 4Å; P190-Q193 VanDerWaalsContact O-CB 3.23Å; P190-Q193 WeakPolarHBondContact O-CB 3.31Å; P190-Q193 PolarHBondContact O-N 2.85Å; P190-Q193 VanDerWaalsContact O-N 3.1Å; F191-Q193 VanDerWaalsContact C-N 3.26Å; F191-Q193 PolarHBondContact O-N 3.36Å; Q193-M195 HydrophobicContact CB-SD 4.1Å; Q193-M195 HydrophobicContact CG-SD 3.63Å; Q193-M195 PolarHBondContact O-N 3.2Å
194	L	98.6	Very high	87.8	Confident	55 Å²	55	56.8 Å²	56.8	29%	0.288	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117	167.7	-179.2	67.5	0	0	0	108.5	P140 R167 F169 G192 S196 E197	P140-L194 HydrophobicContact CG-CD2 3.93Å; R167-L194 HydrophobicContact CB-CD1 4.03Å; R167-L194 HydrophobicContact CG-CD1 4.12Å; F169-L194 HydrophobicContact CD1-CB 4.28Å; F169-L194 HydrophobicContact CD1-CD1 4.06Å; F169-L194 HydrophobicContact CE1-CB 4.13Å; F169-L194 HydrophobicContact CE1-CD1 3.65Å; F169-L194 HydrophobicContact CE1-CG 4.49Å; F169-L194 HydrophobicContact CZ-CD1 3.96Å; G192-L194 PolarHBondContact O-N 3.04Å; L194-S196 WeakPolarHBondContact CD1-O 3.44Å; L194-E197 HydrophobicContact CD1-CB 4.43Å; L194-E197 HydrophobicContact CD2-CB 4.31Å
195	M	98.2	Very high	87.5	Confident	31 Å²	31	54.3 Å²	54.3	15%	0.153	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-41.5	179.1	-51.6	-55.6	-61.7	0	0	111	L156 V168 W185 M189 Q193	L156-M195 HydrophobicContact CD2-CG 3.65Å; L156-M195 HydrophobicContact CD2-SD 4.36Å; V168-M195 HydrophobicContact CB-CB 4.19Å; V168-M195 HydrophobicContact CG1-CB 3.98Å; V168-M195 HydrophobicContact CG1-CG 4.19Å; V168-M195 WeakPolarHBondContact O-CB 3.18Å; V168-M195 PolarHBondContact O-N 3.12Å; W185-M195 WeakPolarHBondContact O-CE 3.22Å; M189-M195 HydrophobicContact CG-CE 3.65Å; M189-M195 HydrophobicContact CG-SD 3.97Å; Q193-M195 HydrophobicContact CB-SD 4.1Å; Q193-M195 HydrophobicContact CG-SD 3.63Å; Q193-M195 PolarHBondContact O-N 3.2Å
196	S	97.9	Very high	87.4	Confident	15 Å²	15	59.7 Å²	59.7	11%	0.105	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.3	178.7	-58.2	0	0	0	0	110.8	R167 V168 L194	R167-S196 WeakPolarHBondContact CA-O 3.36Å; V168-S196 PolarHBondContact N-O 3.46Å; V168-S196 PolarHBondContact O-N 3.32Å; L194-S196 WeakPolarHBondContact CD1-O 3.44Å
197	E	97	Very high	87.5	Confident	75 Å²	75	58.5 Å²	58.5	35%	0.35	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.6	172.4	179	177.3	112.4	0	0	108.9	K165 R167 L194	K165-E197 HydrophobicContact CB-CG 4.27Å; K165-E197 HydrophobicContact CD-CG 4.12Å; K165-E197 HydrophobicContact CG-CG 4.26Å; K165-E197 IonicContact NZ-OE1 2.79Å; K165-E197 PolarHBondContact NZ-OE1 3.06Å; R167-E197 HydrophobicContact CG-CB 4.21Å; R167-E197 HydrophobicContact CG-CG 3.97Å; R167-E197 IonicContact CZ-OE2 3.84Å; R167-E197 IonicContact NE-OE2 2.8Å; R167-E197 PolarHBondContact NE-OE2 2.89Å; R167-E197 IonicContact NH2-OE2 3.84Å; R167-E197 PolarHBondContact NH2-OE2 3.41Å; L194-E197 HydrophobicContact CD1-CB 4.43Å; L194-E197 HydrophobicContact CD2-CB 4.31Å
198	F	95.5	Very high	87.6	Confident	17 Å²	17	56.4 Å²	56.4	8%	0.075	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.3	-179.5	-53.1	-71.3	0	0	0	110.8	K165 C166 W185 L219 W221 A231 M237 V239	K165-F198 VanDerWaalsContact CA-O 3.32Å; K165-F198 WeakPolarHBondContact CA-O 3.37Å; K165-F198 WeakPolarHBondContact CD-O 3.33Å; C166-F198 HydrophobicContact CB-CB 4.32Å; C166-F198 PolarHBondContact N-O 3.35Å; C166-F198 VanDerWaalsContact N-O 3.1Å; C166-F198 PolarHBondContact O-N 3.14Å; W185-F198 HydrophobicContact CH2-CE2 4.28Å; W185-F198 HydrophobicContact CH2-CZ 4.34Å; W185-F198 AromaticContact CZ3-CE2 3.85Å; W185-F198 HydrophobicContact CZ3-CE2 3.85Å; W185-F198 AromaticContact CZ3-CZ 3.8Å; W185-F198 HydrophobicContact CZ3-CZ 3.8Å; F198-L219 HydrophobicContact CE2-CD2 4.36Å; F198-W221 HydrophobicContact CB-CH2 3.74Å; F198-W221 HydrophobicContact CB-CZ2 3.8Å; F198-W221 HydrophobicContact CB-CZ3 4.45Å; F198-W221 HydrophobicContact CD1-CH2 4.38Å; F198-W221 HydrophobicContact CD2-CH2 4.31Å; F198-W221 HydrophobicContact CD2-CZ3 4.28Å; F198-W221 AromaticContact CG-CH2 3.9Å; F198-W221 HydrophobicContact CG-CH2 3.9Å; F198-W221 HydrophobicContact CG-CZ2 4.46Å; F198-W221 HydrophobicContact CG-CZ3 4.33Å; F198-A231 HydrophobicContact CD1-CB 4.38Å; F198-A231 HydrophobicContact CD2-CB 4.42Å; F198-A231 HydrophobicContact CE1-CB 3.81Å; F198-A231 HydrophobicContact CE2-CB 3.87Å; F198-A231 HydrophobicContact CZ-CB 3.53Å; F198-M237 HydrophobicContact CE1-CB 4.03Å; F198-M237 HydrophobicContact CZ-CB 4.22Å; F198-M237 HydrophobicContact CZ-SD 4.29Å; F198-V239 HydrophobicContact CD1-CG2 3.52Å; F198-V239 HydrophobicContact CE1-CG2 3.77Å; F198-V239 HydrophobicContact CG-CG2 4.44Å
199	G	84.6	Confident	87.7	Confident	44 Å²	44	48.7 Å²	48.7	45%	0.454	33%	0.327	S	S	.	.			trans	90.5	160.8	-176.2	0	0	0	0	0	113.4	K165	K165-G199 WeakPolarHBondContact CD-O 3.35Å; K165-G199 WeakPolarHBondContact CE-O 3.38Å; K165-G199 PolarHBondContact NZ-O 3.13Å
200	G	68	Low	87.8	Confident	46 Å²	46	48.6 Å²	48.6	47%	0.474	33%	0.327	S	S	.	.			trans	114.6	137.6	176.4	0	0	0	0	0	115.7
201	A	44.3	Very low	87.8	Confident	114 Å²	114	45.4 Å²	45.4	94%	0.942	31%	0.306	S	S	*	.	S	Bend	trans	55.8	82.8	-177	0	0	0	0	0	116.6
202	G	53.9	Low	87.8	Confident	86 Å²	86	42.5 Å²	42.5	89%	0.887	29%	0.293	S	S	*	.	S	Bend	trans	147.1	-30.9	164.5	0	0	0	0	0	116
203	S	55.3	Low	87.8	Confident	63 Å²	63	41.4 Å²	41.4	44%	0.441	28%	0.282	S	S	.	.			trans	-148.8	130.2	169.2	59.9	0	0	0	0	107.9
204	G	73.3	Confident	87.8	Confident	47 Å²	47	38.8 Å²	38.8	49%	0.485	28%	0.275	S	S	.	.			trans	-133.6	133.2	-169.1	0	0	0	0	0	111.2
205	G	92	Very high	87.7	Confident	7 Å²	7	38.4 Å²	38.4	7%	0.072	28%	0.277	C	S	.	.			trans	-160.1	149.2	173.2	0	0	0	0	0	109.6	F164 V207	F164-G205 VanDerWaalsContact CD1-C 3.42Å; F164-G205 WeakPolarHBondContact CD1-O 3.46Å; G205-V207 PolarHBondContact O-N 2.83Å
206	W	97.4	Very high	87.7	Confident	122 Å²	122	36.9 Å²	36.9	46%	0.462	27%	0.27	S	S	.	.			trans	-58.6	131.8	174.6	-57.2	-33.1	0	0	0	109.4	L146 C162 F164 H208 S223 H224	L146-W206 HydrophobicContact CD1-CB 3.85Å; C162-W206 HydrophobicContact CB-CG 4.27Å; F164-W206 AromaticContact CD1-CD1 3.85Å; F164-W206 AromaticContact CE1-CD1 3.44Å; F164-W206 VanDerWaalsContact CE1-CD1 3.44Å; F164-W206 AromaticContact CE1-NE1 3.74Å; W206-H208 PolarHBondContact O-N 3.3Å; W206-S223 CarbonylContact O-C 3.53Å; W206-S223 VanDerWaalsContact O-CA 3.29Å; W206-S223 WeakPolarHBondContact O-CA 3.15Å; W206-H224 HydrophobicContact CB-CB 4.32Å; W206-H224 PolarHBondContact O-N 2.94Å
207	V	98.1	Very high	87.7	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	99.9	178.9	-177.2	0	0	0	0	108.3	G160 S161 C166 G205 V210 W221	G160-V207 CarbonylContact C-O 3.53Å; S161-V207 PolarHBondContact O-N 3.06Å; C166-V207 HydrophobicContact CB-CG1 4.33Å; G205-V207 PolarHBondContact O-N 2.83Å; V207-V210 HydrophobicContact CG1-CG1 3.91Å; V207-W221 HydrophobicContact CG1-CB 3.87Å; V207-W221 HydrophobicContact CG1-CG 4.16Å
208	H	98.6	Very high	87.8	Confident	35 Å²	35	36 Å²	36	16%	0.162	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-43	-172.3	-73.3	-62.3	0	0	0	112.4	S147 W206 V222 H224 L250	S147-H208 WeakPolarHBondContact CB-O 3.35Å; S147-H208 PolarHBondContact OG-O 3.46Å; W206-H208 PolarHBondContact O-N 3.3Å; H208-V222 PolarHBondContact N-O 3.31Å; H208-H224 AromaticContact CD2-ND1 3.95Å; H208-H224 AromaticContact CE1-ND1 3.9Å; H208-H224 WeakPolarHBondContact NE2-CB 3.41Å; H208-H224 AromaticContact NE2-CG 3.45Å; H208-H224 AromaticContact NE2-ND1 3Å; H208-H224 PolarHBondContact NE2-ND1 3.06Å; H208-L250 HydrophobicContact CB-CD2 4.45Å; H208-L250 WeakPolarHBondContact CB-O 3.37Å
209	S	98.8	Very high	87.9	Confident	12 Å²	12	35.2 Å²	35.2	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.9	-176.9	-174.9	0	0	0	0	111.9	S147 W221 V222 L250 V252	S147-S209 VanDerWaalsContact OG-CA 3.24Å; S147-S209 WeakPolarHBondContact OG-CA 3.22Å; S147-S209 PolarHBondContact OG-N 3.5Å; S209-W221 WeakPolarHBondContact O-CA 3.43Å; S209-W221 WeakPolarHBondContact O-CB 3Å; S209-V222 PolarHBondContact O-N 2.69Å; S209-V222 VanDerWaalsContact O-N 3.07Å; S209-L250 VanDerWaalsContact CB-O 3.31Å; S209-L250 WeakPolarHBondContact CB-O 3.15Å; S209-V252 PolarHBondContact OG-N 3.43Å; S209-V252 VanDerWaalsContact OG-N 3.14Å; S209-V252 PolarHBondContact OG-O 3Å
210	V	98.9	Very high	88.6	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.8	175.2	-61.7	0	0	0	0	109.5	S147 D149 A158 V207 L219 A220 W221	S147-V210 PolarHBondContact OG-N 3.09Å; D149-V210 HydrophobicContact CB-CG2 4.14Å; A158-V210 HydrophobicContact CB-CB 4.25Å; A158-V210 HydrophobicContact CB-CG2 3.93Å; V207-V210 HydrophobicContact CG1-CG1 3.91Å; V210-L219 HydrophobicContact CB-CD1 4.29Å; V210-A220 CarbonylContact C-O 3.54Å; V210-A220 VanDerWaalsContact CA-O 3.3Å; V210-A220 WeakPolarHBondContact CA-O 3.33Å; V210-W221 HydrophobicContact CG1-CB 3.92Å
211	S	98.8	Very high	90	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	124.8	173.1	178.2	0	0	0	0	111.2	D149 A220 F254 K337	D149-S211 VanDerWaalsContact OD2-CA 3.27Å; D149-S211 WeakPolarHBondContact OD2-CA 3.36Å; S211-A220 PolarHBondContact N-O 2.74Å; S211-A220 PolarHBondContact O-N 2.91Å; S211-F254 VanDerWaalsContact O-CD2 3.3Å; S211-F254 WeakPolarHBondContact O-CD2 3.39Å; S211-F254 WeakPolarHBondContact O-CE2 3.24Å; S211-F254 PolarHBondContact OG-N 2.88Å; S211-K337 PolarHBondContact OG-NZ 3.17Å
212	F	98.8	Very high	92.6	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	149.7	161.9	-81.5	-69.3	0	0	0	111.1	D149 H151 A158 V168 W185 G216 R218 L219 F254 K337	D149-F212 PolarHBondContact OD2-N 2.95Å; H151-F212 HydrophobicContact CB-CD2 3.92Å; H151-F212 HydrophobicContact CB-CE1 4.49Å; H151-F212 HydrophobicContact CB-CE2 3.75Å; H151-F212 HydrophobicContact CB-CG 4.34Å; H151-F212 HydrophobicContact CB-CZ 4.07Å; H151-F212 AromaticContact CD2-CD1 3.98Å; H151-F212 AromaticContact CD2-CE1 3.89Å; A158-F212 HydrophobicContact CB-CD2 3.98Å; A158-F212 HydrophobicContact CB-CE2 3.48Å; A158-F212 VanDerWaalsContact CB-CE2 3.48Å; A158-F212 HydrophobicContact CB-CZ 4.01Å; V168-F212 HydrophobicContact CG1-CZ 4Å; V168-F212 HydrophobicContact CG2-CE1 4.47Å; V168-F212 HydrophobicContact CG2-CZ 3.97Å; W185-F212 AromaticContact CE2-CE1 3.74Å; W185-F212 HydrophobicContact CH2-CE1 4.46Å; W185-F212 HydrophobicContact CZ2-CD1 4.34Å; W185-F212 AromaticContact CZ2-CE1 3.66Å; W185-F212 HydrophobicContact CZ2-CE1 3.66Å; W185-F212 AromaticContact NE1-CE1 3.8Å; F212-G216 WeakPolarHBondContact CD1-O 3.49Å; F212-R218 CarbonylContact C-O 3.57Å; F212-R218 WeakPolarHBondContact CA-O 3.35Å; F212-R218 WeakPolarHBondContact CD1-O 3.27Å; F212-L219 HydrophobicContact CD1-CB 4.27Å; F212-L219 HydrophobicContact CD1-CD1 4.25Å; F212-L219 HydrophobicContact CD2-CD1 4.47Å; F212-L219 HydrophobicContact CE1-CB 4.22Å; F212-L219 HydrophobicContact CE1-CD1 4.38Å; F212-L219 HydrophobicContact CG-CD1 4.3Å; F212-F254 VanDerWaalsContact C-CD2 3.41Å; F212-F254 WeakPolarHBondContact O-CD2 3.39Å; F212-K337 WeakPolarHBondContact O-CD 3.2Å; F212-K337 PolarHBondContact O-NZ 2.92Å
213	S	98.3	Very high	94.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	13%	0.134	C	C	.	.			trans	-71.1	168.9	165.8	71.9	0	0	0	0	111	S215 G216 R218 F254 E257	S213-S215 VanDerWaalsContact C-N 3.3Å; S213-S215 PolarHBondContact O-N 3.14Å; S213-S215 PolarHBondContact OG-OG 3.03Å; S213-G216 WeakPolarHBondContact O-CA 3.36Å; S213-G216 PolarHBondContact O-N 2.99Å; S213-G216 PolarHBondContact OG-N 2.78Å; S213-R218 PolarHBondContact N-O 3.48Å; S213-R218 PolarHBondContact OG-N 2.81Å; S213-F254 VanDerWaalsContact N-CD2 3.32Å; S213-E257 WeakPolarHBondContact CB-OE2 3.26Å; S213-E257 PolarHBondContact OG-OE2 3.4Å
214	A	97.5	Very high	96.7	Very high	32 Å²	32	22.8 Å²	22.8	26%	0.264	13%	0.13	S	C	.	.	S	Bend	trans	-63.9	-35.3	-177.7	0	0	0	0	0	112.8	G216 E257 K337 R338	A214-G216 VanDerWaalsContact C-N 3.27Å; A214-E257 WeakPolarHBondContact CA-OE1 3.41Å; A214-E257 VanDerWaalsContact CB-OE1 3.3Å; A214-E257 WeakPolarHBondContact CB-OE1 3.47Å; A214-E257 PolarHBondContact N-OE1 3.13Å; A214-K337 HydrophobicContact CB-CB 3.96Å; A214-R338 HydrophobicContact CB-CB 3.74Å; A214-R338 HydrophobicContact CB-CG 4.37Å
215	S	97.5	Very high	97.7	Very high	47 Å²	47	21.6 Å²	21.6	33%	0.329	11%	0.112	S	C	.	.	S	Bend	trans	-70.7	-23.4	171.3	65.5	0	0	0	0	113	S213 N217 E257	S213-S215 VanDerWaalsContact C-N 3.3Å; S213-S215 PolarHBondContact O-N 3.14Å; S213-S215 PolarHBondContact OG-OG 3.03Å; S215-N217 PolarHBondContact O-N 3.03Å; S215-N217 PolarHBondContact OG-N 2.65Å; S215-E257 WeakPolarHBondContact CB-OE1 3.48Å; S215-E257 WeakPolarHBondContact CB-OE2 3.3Å; S215-E257 PolarHBondContact N-OE1 2.95Å; S215-E257 PolarHBondContact OG-OE2 2.85Å
216	G	98.1	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	79.9	-1.8	-173.7	0	0	0	0	0	114.3	H151 W185 F212 S213 A214 R218	H151-G216 VanDerWaalsContact CD2-CA 3.47Å; H151-G216 WeakPolarHBondContact CD2-CA 3.24Å; H151-G216 PolarHBondContact CD2-O 3.06Å; H151-G216 VanDerWaalsContact CD2-O 3.25Å; H151-G216 WeakPolarHBondContact NE2-CA 3.47Å; H151-G216 PolarHBondContact NE2-O 3.26Å; W185-G216 PolarHBondContact NE1-O 3.43Å; F212-G216 WeakPolarHBondContact CD1-O 3.49Å; S213-G216 WeakPolarHBondContact O-CA 3.36Å; S213-G216 PolarHBondContact O-N 2.99Å; S213-G216 PolarHBondContact OG-N 2.78Å; A214-G216 VanDerWaalsContact C-N 3.27Å; G216-R218 VanDerWaalsContact C-N 3.31Å; G216-R218 PolarHBondContact O-N 3.5Å
217	N	97.8	Very high	97.9	Very high	52 Å²	52	16.3 Å²	16.3	28%	0.278	9%	0.093	S	C	.	.	S	Bend	trans	-75	-21.2	-179.4	-68.7	-21.6	0	0	0	113.1	P184 S215 A233	P184-N217 WeakPolarHBondContact CG-OD1 3.4Å; S215-N217 PolarHBondContact O-N 3.03Å; S215-N217 PolarHBondContact OG-N 2.65Å; N217-A233 VanDerWaalsContact O-CB 3.3Å; N217-A233 WeakPolarHBondContact O-CB 3.21Å; N217-A233 PolarHBondContact O-N 2.75Å
218	R	97.9	Very high	97.9	Very high	19 Å²	19	16.2 Å²	16.2	7%	0.072	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.3	178.7	-58.5	-175.9	178.9	-164.6	12.7	111.2	F212 S213 G216 V230 A231 D232 F254 N258 C274 D276	F212-R218 CarbonylContact C-O 3.57Å; F212-R218 WeakPolarHBondContact CA-O 3.35Å; F212-R218 WeakPolarHBondContact CD1-O 3.27Å; S213-R218 PolarHBondContact N-O 3.48Å; S213-R218 PolarHBondContact OG-N 2.81Å; G216-R218 VanDerWaalsContact C-N 3.31Å; G216-R218 PolarHBondContact O-N 3.5Å; R218-V230 HydrophobicContact CB-CG1 4.27Å; R218-A231 CarbonylContact C-O 3.46Å; R218-A231 VanDerWaalsContact CA-O 3.24Å; R218-A231 WeakPolarHBondContact CA-O 3.3Å; R218-D232 HydrophobicContact CG-CB 4.28Å; R218-D232 IonicContact CZ-OD2 3.56Å; R218-D232 IonicContact NE-OD2 2.91Å; R218-D232 PolarHBondContact NE-OD2 2.92Å; R218-D232 IonicContact NH2-OD2 2.73Å; R218-F254 HydrophobicContact CB-CE1 4.44Å; R218-F254 HydrophobicContact CB-CE2 4.32Å; R218-F254 HydrophobicContact CB-CZ 3.73Å; R218-N258 PolarHBondContact NH1-OD1 2.92Å; R218-N258 PolarHBondContact NH2-OD1 3.4Å; R218-N258 VanDerWaalsContact NH2-OD1 3.14Å; R218-C274 PolarHBondContact NH1-O 2.92Å; R218-D276 IonicContact NH2-OD1 3.86Å
219	L	98.6	Very high	97.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.3	175.9	177.2	60	0	0	0	109.6	A158 V168 W185 F198 V210 F212 V230 A231	A158-L219 HydrophobicContact CB-CD1 3.55Å; A158-L219 HydrophobicContact CB-CD2 3.98Å; A158-L219 HydrophobicContact CB-CG 4.45Å; V168-L219 HydrophobicContact CG2-CD2 3.49Å; V168-L219 VanDerWaalsContact CG2-CD2 3.49Å; W185-L219 HydrophobicContact CH2-CB 3.75Å; W185-L219 HydrophobicContact CH2-CD2 4.37Å; W185-L219 HydrophobicContact CZ2-CB 3.98Å; F198-L219 HydrophobicContact CE2-CD2 4.36Å; V210-L219 HydrophobicContact CB-CD1 4.29Å; F212-L219 HydrophobicContact CD1-CB 4.27Å; F212-L219 HydrophobicContact CD1-CD1 4.25Å; F212-L219 HydrophobicContact CD2-CD1 4.47Å; F212-L219 HydrophobicContact CE1-CB 4.22Å; F212-L219 HydrophobicContact CE1-CD1 4.38Å; F212-L219 HydrophobicContact CG-CD1 4.3Å; L219-V230 CarbonylContact O-C 3.55Å; L219-V230 WeakPolarHBondContact O-CA 3.35Å; L219-A231 PolarHBondContact N-O 3.05Å; L219-A231 PolarHBondContact O-N 2.79Å
220	A	98.5	Very high	97.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.9	174.4	0	0	0	0	0	110.5	V210 S211 S229 V230 V252 F254 V260	V210-A220 CarbonylContact C-O 3.54Å; V210-A220 VanDerWaalsContact CA-O 3.3Å; V210-A220 WeakPolarHBondContact CA-O 3.33Å; S211-A220 PolarHBondContact N-O 2.74Å; S211-A220 PolarHBondContact O-N 2.91Å; A220-S229 CarbonylContact C-O 3.52Å; A220-S229 WeakPolarHBondContact CA-O 3.35Å; A220-V230 HydrophobicContact CB-CG2 4.02Å; A220-V252 HydrophobicContact CB-CG2 4.27Å; A220-F254 HydrophobicContact CB-CD2 4.1Å; A220-F254 HydrophobicContact CB-CE2 3.47Å; A220-F254 VanDerWaalsContact CB-CE2 3.47Å; A220-F254 HydrophobicContact CB-CZ 3.88Å; A220-V260 HydrophobicContact CB-CG1 3.88Å
221	W	98.6	Very high	97.8	Very high	9 Å²	9	13.8 Å²	13.8	3%	0.034	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158	169.1	70	94.2	0	0	0	112.1	C166 F198 V207 S209 V210 S229 A231 V239	C166-W221 HydrophobicContact CB-CB 4.39Å; C166-W221 HydrophobicContact CB-CD2 3.84Å; C166-W221 HydrophobicContact CB-CE3 4.3Å; C166-W221 HydrophobicContact CB-CG 3.9Å; F198-W221 HydrophobicContact CB-CH2 3.74Å; F198-W221 HydrophobicContact CB-CZ2 3.8Å; F198-W221 HydrophobicContact CB-CZ3 4.45Å; F198-W221 HydrophobicContact CD1-CH2 4.38Å; F198-W221 HydrophobicContact CD2-CH2 4.31Å; F198-W221 HydrophobicContact CD2-CZ3 4.28Å; F198-W221 AromaticContact CG-CH2 3.9Å; F198-W221 HydrophobicContact CG-CH2 3.9Å; F198-W221 HydrophobicContact CG-CZ2 4.46Å; F198-W221 HydrophobicContact CG-CZ3 4.33Å; V207-W221 HydrophobicContact CG1-CB 3.87Å; V207-W221 HydrophobicContact CG1-CG 4.16Å; S209-W221 WeakPolarHBondContact O-CA 3.43Å; S209-W221 WeakPolarHBondContact O-CB 3Å; V210-W221 HydrophobicContact CG1-CB 3.92Å; W221-S229 PolarHBondContact N-O 3.04Å; W221-S229 PolarHBondContact O-N 2.72Å; W221-A231 HydrophobicContact CH2-CB 4.2Å; W221-A231 HydrophobicContact CZ3-CB 3.76Å; W221-V239 HydrophobicContact CH2-CG1 3.65Å; W221-V239 HydrophobicContact CH2-CG2 4.14Å; W221-V239 HydrophobicContact CZ2-CG1 4.08Å
222	V	98.4	Very high	97.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.1	173.6	-67.3	0	0	0	0	110.7	H208 S209 T227 V228 L249 V252 A262	H208-V222 PolarHBondContact N-O 3.31Å; S209-V222 PolarHBondContact O-N 2.69Å; S209-V222 VanDerWaalsContact O-N 3.07Å; V222-T227 WeakPolarHBondContact CA-O 3.22Å; V222-V228 HydrophobicContact CG1-CB 4.41Å; V222-V228 HydrophobicContact CG1-CG1 4.14Å; V222-V228 HydrophobicContact CG1-CG2 4.05Å; V222-L249 HydrophobicContact CB-CB 3.85Å; V222-L249 HydrophobicContact CG1-CB 3.89Å; V222-L249 HydrophobicContact CG1-CD1 4.04Å; V222-L249 HydrophobicContact CG2-CB 4.11Å; V222-V252 HydrophobicContact CG1-CB 3.86Å; V222-V252 HydrophobicContact CG1-CG1 4.18Å; V222-V252 HydrophobicContact CG1-CG2 4.31Å; V222-V252 HydrophobicContact CG2-CB 4.19Å; V222-V252 HydrophobicContact CG2-CG1 4.09Å; V222-A262 HydrophobicContact CG1-CB 4.12Å
223	S	97.6	Very high	97.6	Very high	7 Å²	7	14.2 Å²	14.2	5%	0.049	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.7	-173.1	-65.3	0	0	0	0	111.8	W206 D225 S226 T227	W206-S223 CarbonylContact O-C 3.53Å; W206-S223 VanDerWaalsContact O-CA 3.29Å; W206-S223 WeakPolarHBondContact O-CA 3.15Å; S223-D225 WeakPolarHBondContact CB-OD1 3.46Å; S223-D225 PolarHBondContact O-N 2.91Å; S223-S226 PolarHBondContact O-N 3.23Å; S223-T227 PolarHBondContact N-O 3.01Å; S223-T227 VanDerWaalsContact N-O 3.17Å
224	H	97.1	Very high	97.5	Very high	76 Å²	76	17.6 Å²	17.6	35%	0.352	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.1	-178.8	-156.9	62.1	0	0	0	114.4	W206 H208 S226 P248	W206-H224 HydrophobicContact CB-CB 4.32Å; W206-H224 PolarHBondContact O-N 2.94Å; H208-H224 AromaticContact CD2-ND1 3.95Å; H208-H224 AromaticContact CE1-ND1 3.9Å; H208-H224 WeakPolarHBondContact NE2-CB 3.41Å; H208-H224 AromaticContact NE2-CG 3.45Å; H208-H224 AromaticContact NE2-ND1 3Å; H208-H224 PolarHBondContact NE2-ND1 3.06Å; H224-S226 PolarHBondContact O-N 3.22Å; H224-P248 WeakPolarHBondContact O-CG 3.24Å
225	D	95.4	Very high	97.4	Very high	22 Å²	22	19 Å²	19	12%	0.118	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	26.6	173.9	65.3	-6.6	0	0	0	112.5	S223 T227 K243	S223-D225 WeakPolarHBondContact CB-OD1 3.46Å; S223-D225 PolarHBondContact O-N 2.91Å; D225-T227 PolarHBondContact O-N 3.02Å; D225-T227 WeakPolarHBondContact OD1-CB 3.44Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.38Å; D225-T227 PolarHBondContact OD1-N 3.08Å; D225-T227 PolarHBondContact OD1-OG1 3.08Å; D225-K243 WeakPolarHBondContact O-CD 3.39Å; D225-K243 WeakPolarHBondContact O-CE 3.39Å; D225-K243 PolarHBondContact O-NZ 2.92Å
226	S	96.9	Very high	97.1	Very high	16 Å²	16	24.1 Å²	24.1	11%	0.112	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	32.9	-180	-57.7	0	0	0	0	114	S223 H224 T244 F246	S223-S226 PolarHBondContact O-N 3.23Å; H224-S226 PolarHBondContact O-N 3.22Å; S226-T244 PolarHBondContact O-N 3.25Å; S226-T244 PolarHBondContact O-OG1 3.47Å; S226-F246 VanDerWaalsContact CB-O 3.24Å; S226-F246 WeakPolarHBondContact CB-O 3.3Å; S226-F246 PolarHBondContact OG-O 2.92Å
227	T	96.7	Very high	97	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	143.6	174	64	0	0	0	0	112	V222 S223 D225 Q241 L242 K243	V222-T227 WeakPolarHBondContact CA-O 3.22Å; S223-T227 PolarHBondContact N-O 3.01Å; S223-T227 VanDerWaalsContact N-O 3.17Å; D225-T227 PolarHBondContact O-N 3.02Å; D225-T227 WeakPolarHBondContact OD1-CB 3.44Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.38Å; D225-T227 PolarHBondContact OD1-N 3.08Å; D225-T227 PolarHBondContact OD1-OG1 3.08Å; T227-Q241 HydrophobicContact CG2-CG 4.17Å; T227-L242 WeakPolarHBondContact CA-O 3.46Å; T227-K243 HydrophobicContact CG2-CB 4.26Å; T227-K243 HydrophobicContact CG2-CD 3.76Å
228	V	97.7	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.9	162.9	-170.1	0	0	0	0	107.1	V222 Q241 L242 T244 L249 V260 F272 L280	V222-V228 HydrophobicContact CG1-CB 4.41Å; V222-V228 HydrophobicContact CG1-CG1 4.14Å; V222-V228 HydrophobicContact CG1-CG2 4.05Å; V228-Q241 WeakPolarHBondContact O-CA 3.48Å; V228-L242 PolarHBondContact N-O 2.96Å; V228-L242 PolarHBondContact O-N 2.93Å; V228-T244 HydrophobicContact CG2-CG2 4.35Å; V228-L249 HydrophobicContact CG2-CD1 3.35Å; V228-V260 HydrophobicContact CG1-CG2 4.48Å; V228-F272 HydrophobicContact CG2-CD1 4.29Å; V228-F272 HydrophobicContact CG2-CD2 4.39Å; V228-F272 HydrophobicContact CG2-CE1 3.86Å; V228-F272 HydrophobicContact CG2-CE2 3.99Å; V228-F272 HydrophobicContact CG2-CZ 3.71Å; V228-L280 HydrophobicContact CB-CD2 3.97Å; V228-L280 HydrophobicContact CG1-CD2 3.92Å; V228-L280 VanDerWaalsContact O-CD2 3.27Å; V228-L280 WeakPolarHBondContact O-CD2 3.3Å
229	S	97.6	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.4	179	-62.4	0	0	0	0	111.3	A220 W221 S240 Q241	A220-S229 CarbonylContact C-O 3.52Å; A220-S229 WeakPolarHBondContact CA-O 3.35Å; W221-S229 PolarHBondContact N-O 3.04Å; W221-S229 PolarHBondContact O-N 2.72Å; S229-S240 CarbonylContact C-O 3.58Å; S229-S240 WeakPolarHBondContact CA-O 3.36Å; S229-Q241 WeakPolarHBondContact OG-CG 3.33Å; S229-Q241 PolarHBondContact OG-NE2 3.38Å
230	V	97.9	Very high	96.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.6	174.7	179.8	0	0	0	0	108.6	R218 L219 A220 V239 S240 F254 C274 L280	R218-V230 HydrophobicContact CB-CG1 4.27Å; L219-V230 CarbonylContact O-C 3.55Å; L219-V230 WeakPolarHBondContact O-CA 3.35Å; A220-V230 HydrophobicContact CB-CG2 4.02Å; V230-V239 WeakPolarHBondContact O-CA 3.43Å; V230-S240 PolarHBondContact N-O 2.89Å; V230-S240 PolarHBondContact O-N 3.29Å; V230-F254 HydrophobicContact CG1-CZ 4.13Å; V230-C274 HydrophobicContact CG1-CB 4.41Å; V230-C274 HydrophobicContact CG2-CB 4.34Å; V230-L280 HydrophobicContact CG2-CD1 4Å; V230-L280 HydrophobicContact CG2-CD2 4.24Å
231	A	97.6	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137	168.7	0	0	0	0	0	109.9	W185 F198 R218 L219 W221 M238 V239	W185-A231 HydrophobicContact CH2-CB 4.44Å; F198-A231 HydrophobicContact CD1-CB 4.38Å; F198-A231 HydrophobicContact CD2-CB 4.42Å; F198-A231 HydrophobicContact CE1-CB 3.81Å; F198-A231 HydrophobicContact CE2-CB 3.87Å; F198-A231 HydrophobicContact CZ-CB 3.53Å; R218-A231 CarbonylContact C-O 3.46Å; R218-A231 VanDerWaalsContact CA-O 3.24Å; R218-A231 WeakPolarHBondContact CA-O 3.3Å; L219-A231 PolarHBondContact N-O 3.05Å; L219-A231 PolarHBondContact O-N 2.79Å; W221-A231 HydrophobicContact CH2-CB 4.2Å; W221-A231 HydrophobicContact CZ3-CB 3.76Å; A231-M238 CarbonylContact C-O 3.53Å; A231-M238 VanDerWaalsContact CA-O 3.31Å; A231-M238 WeakPolarHBondContact CA-O 3.45Å; A231-V239 HydrophobicContact CB-CG2 4.14Å
232	D	97.2	Very high	96.3	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109	174.5	-171.5	-17.2	0	0	0	110.5	R218 S234 K235 M237 M238	R218-D232 HydrophobicContact CG-CB 4.28Å; R218-D232 IonicContact CZ-OD2 3.56Å; R218-D232 IonicContact NE-OD2 2.91Å; R218-D232 PolarHBondContact NE-OD2 2.92Å; R218-D232 IonicContact NH2-OD2 2.73Å; D232-S234 VanDerWaalsContact C-N 3.28Å; D232-S234 VanDerWaalsContact CG-OG 3.32Å; D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 WeakPolarHBondContact OD1-CB 3.35Å; D232-S234 PolarHBondContact OD1-N 2.92Å; D232-S234 PolarHBondContact OD1-OG 3.3Å; D232-S234 PolarHBondContact OD2-OG 2.62Å; D232-K235 HydrophobicContact CB-CB 4.33Å; D232-K235 HydrophobicContact CB-CD 4.44Å; D232-K235 CarbonylContact O-C 3.6Å; D232-K235 PolarHBondContact O-N 3.15Å; D232-K235 IonicContact OD2-NZ 3.02Å; D232-M237 WeakPolarHBondContact O-CA 3.28Å; D232-M237 PolarHBondContact O-N 3.31Å; D232-M237 VanDerWaalsContact O-N 3.12Å; D232-M238 PolarHBondContact N-O 3.3Å; D232-M238 PolarHBondContact O-N 2.9Å
233	A	97.2	Very high	96.2	Very high	5 Å²	5	44.4 Å²	44.4	4%	0.041	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-68.4	-26.7	-179.9	0	0	0	0	0	113.2	P184 W185 N217 K235 M237	P184-A233 HydrophobicContact CB-CB 3.74Å; P184-A233 WeakPolarHBondContact CB-O 3.17Å; W185-A233 HydrophobicContact CD2-CB 3.54Å; W185-A233 HydrophobicContact CE3-CB 3.95Å; W185-A233 HydrophobicContact CG-CB 4Å; W185-A233 HydrophobicContact CH2-CB 4.02Å; W185-A233 HydrophobicContact CZ2-CB 3.62Å; W185-A233 HydrophobicContact CZ3-CB 4.18Å; N217-A233 VanDerWaalsContact O-CB 3.3Å; N217-A233 WeakPolarHBondContact O-CB 3.21Å; N217-A233 PolarHBondContact O-N 2.75Å; A233-K235 PolarHBondContact O-N 2.89Å; A233-M237 VanDerWaalsContact CA-CE 3.47Å; A233-M237 HydrophobicContact CB-CE 3.4Å; A233-M237 VanDerWaalsContact CB-CE 3.4Å; A233-M237 HydrophobicContact CB-SD 3.77Å
234	S	95.8	Very high	96.1	Very high	73 Å²	73	44.7 Å²	44.7	51%	0.51	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-70.7	-16.5	176	73.7	0	0	0	0	112.7	D232	D232-S234 VanDerWaalsContact C-N 3.28Å; D232-S234 VanDerWaalsContact CG-OG 3.32Å; D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 WeakPolarHBondContact OD1-CB 3.35Å; D232-S234 PolarHBondContact OD1-N 2.92Å; D232-S234 PolarHBondContact OD1-OG 3.3Å; D232-S234 PolarHBondContact OD2-OG 2.62Å
235	K	94.6	Very high	96.1	Very high	62 Å²	62	49.6 Å²	49.6	27%	0.27	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-113.9	43.6	179.3	-61.6	-179.2	-175.1	169.1	0	112.2	D232 A233 M237 M238 D276	D232-K235 HydrophobicContact CB-CB 4.33Å; D232-K235 HydrophobicContact CB-CD 4.44Å; D232-K235 CarbonylContact O-C 3.6Å; D232-K235 PolarHBondContact O-N 3.15Å; D232-K235 IonicContact OD2-NZ 3.02Å; A233-K235 PolarHBondContact O-N 2.89Å; K235-M237 VanDerWaalsContact C-N 3.33Å; K235-M237 PolarHBondContact O-N 3.47Å; K235-M238 HydrophobicContact CB-CB 4.09Å; K235-M238 VanDerWaalsContact O-CB 3.31Å; K235-M238 WeakPolarHBondContact O-CB 3.32Å; K235-M238 PolarHBondContact O-N 3.01Å; K235-D276 VanDerWaalsContact NZ-C 3.28Å; K235-D276 PolarHBondContact NZ-O 2.87Å
236	N	92.8	Very high	96.1	Very high	153 Å²	153	49.9 Å²	49.9	82%	0.818	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	45.1	177.7	-167.8	42.7	0	0	0	112.8	M238	N236-M238 PolarHBondContact O-N 3.35Å
237	M	95.1	Very high	96.2	Very high	44 Å²	44	53.6 Å²	53.6	22%	0.217	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	28.6	179.4	-51.6	-58.5	141.5	0	0	114	P184 W185 F198 D232 A233 K235 V239	P184-M237 WeakPolarHBondContact O-CE 3.04Å; W185-M237 HydrophobicContact CD2-CE 4.35Å; W185-M237 HydrophobicContact CD2-SD 4.31Å; W185-M237 HydrophobicContact CE3-CE 3.93Å; W185-M237 HydrophobicContact CE3-SD 3.43Å; W185-M237 HydrophobicContact CH2-SD 4.26Å; W185-M237 HydrophobicContact CZ3-CE 4.45Å; W185-M237 HydrophobicContact CZ3-SD 3.41Å; W185-M237 WeakPolarHBondContact CZ3-SD 3.1Å; F198-M237 HydrophobicContact CE1-CB 4.03Å; F198-M237 HydrophobicContact CZ-CB 4.22Å; F198-M237 HydrophobicContact CZ-SD 4.29Å; D232-M237 WeakPolarHBondContact O-CA 3.28Å; D232-M237 PolarHBondContact O-N 3.31Å; D232-M237 VanDerWaalsContact O-N 3.12Å; A233-M237 VanDerWaalsContact CA-CE 3.47Å; A233-M237 HydrophobicContact CB-CE 3.4Å; A233-M237 VanDerWaalsContact CB-CE 3.4Å; A233-M237 HydrophobicContact CB-SD 3.77Å; K235-M237 VanDerWaalsContact C-N 3.33Å; K235-M237 PolarHBondContact O-N 3.47Å; M237-V239 PolarHBondContact O-N 2.74Å
238	M	94.7	Very high	96.2	Very high	101 Å²	101	54.3 Å²	54.3	50%	0.498	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	128.1	178.4	-176.6	177.3	-64.7	0	0	110.3	A231 D232 K235 N236	A231-M238 CarbonylContact C-O 3.53Å; A231-M238 VanDerWaalsContact CA-O 3.31Å; A231-M238 WeakPolarHBondContact CA-O 3.45Å; D232-M238 PolarHBondContact N-O 3.3Å; D232-M238 PolarHBondContact O-N 2.9Å; K235-M238 HydrophobicContact CB-CB 4.09Å; K235-M238 VanDerWaalsContact O-CB 3.31Å; K235-M238 WeakPolarHBondContact O-CB 3.32Å; K235-M238 PolarHBondContact O-N 3.01Å; N236-M238 PolarHBondContact O-N 3.35Å
239	V	95.2	Very high	96.3	Very high	69 Å²	69	54.4 Å²	54.4	42%	0.418	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.6	179.7	-179.8	0	0	0	0	110	F198 W221 V230 A231 M237	F198-V239 HydrophobicContact CD1-CG2 3.52Å; F198-V239 HydrophobicContact CE1-CG2 3.77Å; F198-V239 HydrophobicContact CG-CG2 4.44Å; W221-V239 HydrophobicContact CH2-CG1 3.65Å; W221-V239 HydrophobicContact CH2-CG2 4.14Å; W221-V239 HydrophobicContact CZ2-CG1 4.08Å; V230-V239 WeakPolarHBondContact O-CA 3.43Å; A231-V239 HydrophobicContact CB-CG2 4.14Å; M237-V239 PolarHBondContact O-N 2.74Å
240	S	95.3	Very high	96.3	Very high	18 Å²	18	55.7 Å²	55.7	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.8	164.2	-150.6	0	0	0	0	109.1	S229 V230 G278 L280	S229-S240 CarbonylContact C-O 3.58Å; S229-S240 WeakPolarHBondContact CA-O 3.36Å; V230-S240 PolarHBondContact N-O 2.89Å; V230-S240 PolarHBondContact O-N 3.29Å; S240-G278 WeakPolarHBondContact CB-O 3.33Å; S240-G278 PolarHBondContact OG-O 2.74Å; S240-L280 WeakPolarHBondContact OG-CB 3.47Å; S240-L280 PolarHBondContact OG-N 2.91Å
241	Q	95.3	Very high	96.4	Very high	99 Å²	99	55.9 Å²	55.9	46%	0.463	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.3	176.2	179.4	173.2	72.6	0	0	109.9	T227 V228 S229	T227-Q241 HydrophobicContact CG2-CG 4.17Å; V228-Q241 WeakPolarHBondContact O-CA 3.48Å; S229-Q241 WeakPolarHBondContact OG-CG 3.33Å; S229-Q241 PolarHBondContact OG-NE2 3.38Å
242	L	96.3	Very high	96.4	Very high	43 Å²	43	56 Å²	56	23%	0.225	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.6	174.2	-178.2	65.5	0	0	0	108.8	T227 V228 T244 F272 L280 F282	T227-L242 WeakPolarHBondContact CA-O 3.46Å; V228-L242 PolarHBondContact N-O 2.96Å; V228-L242 PolarHBondContact O-N 2.93Å; L242-T244 HydrophobicContact CG-CG2 4.43Å; L242-F272 HydrophobicContact CD2-CD1 3.71Å; L242-F272 HydrophobicContact CD2-CE1 3.84Å; L242-L280 HydrophobicContact CB-CB 4.5Å; L242-L280 HydrophobicContact CB-CD2 3.85Å; L242-L280 HydrophobicContact CB-CG 4.05Å; L242-F282 HydrophobicContact CD2-CB 3.98Å
243	K	96	Very high	96.5	Very high	133 Å²	133	56.1 Å²	56.1	58%	0.578	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.8	166.1	178.5	70.8	178.5	-165.6	0	108	D225 T227	D225-K243 WeakPolarHBondContact O-CD 3.39Å; D225-K243 WeakPolarHBondContact O-CE 3.39Å; D225-K243 PolarHBondContact O-NZ 2.92Å; T227-K243 HydrophobicContact CG2-CB 4.26Å; T227-K243 HydrophobicContact CG2-CD 3.76Å
244	T	95.9	Very high	96.5	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.08	29%	0.288	C	S	.	.			trans	-97.1	159	179.6	69.6	0	0	0	0	110.9	S226 V228 L242 F246 F272	S226-T244 PolarHBondContact O-N 3.25Å; S226-T244 PolarHBondContact O-OG1 3.47Å; V228-T244 HydrophobicContact CG2-CG2 4.35Å; L242-T244 HydrophobicContact CG-CG2 4.43Å; T244-F246 HydrophobicContact CG2-CD2 4.32Å; T244-F272 HydrophobicContact CG2-CE1 3.9Å; T244-F272 HydrophobicContact CG2-CZ 4.16Å
245	E	96.6	Very high	96.6	Very high	179 Å²	179	52.4 Å²	52.4	84%	0.836	26%	0.264	S	S	*	.	S	Bend	trans	-81.4	-4	169.7	64.9	-176.8	173	0	0	113.1
246	F	96.8	Very high	96.7	Very high	27 Å²	27	50.2 Å²	50.2	12%	0.118	26%	0.256	C	S	.	.	S	Bend	trans	-86	170.3	-175.1	-52.4	-53.1	0	0	0	112.3	S226 T244 D266 M270 F282	S226-F246 VanDerWaalsContact CB-O 3.24Å; S226-F246 WeakPolarHBondContact CB-O 3.3Å; S226-F246 PolarHBondContact OG-O 2.92Å; T244-F246 HydrophobicContact CG2-CD2 4.32Å; F246-D266 WeakPolarHBondContact CB-OD2 3.45Å; F246-M270 HydrophobicContact CB-CE 3.81Å; F246-M270 HydrophobicContact CB-SD 4.33Å; F246-M270 HydrophobicContact CD1-CE 4.03Å; F246-M270 HydrophobicContact CD2-CE 3.75Å; F246-M270 HydrophobicContact CD2-SD 3.41Å; F246-M270 WeakPolarHBondContact CD2-SD 3.48Å; F246-M270 HydrophobicContact CE2-CE 4.36Å; F246-M270 HydrophobicContact CE2-SD 3.87Å; F246-M270 HydrophobicContact CG-CE 3.58Å; F246-M270 HydrophobicContact CG-SD 3.92Å; F246-F282 HydrophobicContact CE2-CD1 4.49Å; F246-F282 AromaticContact CE2-CD2 3.93Å; F246-F282 HydrophobicContact CE2-CD2 3.93Å; F246-F282 HydrophobicContact CE2-CE1 4.27Å; F246-F282 AromaticContact CE2-CE2 3.67Å; F246-F282 HydrophobicContact CE2-CE2 3.67Å; F246-F282 HydrophobicContact CE2-CG 4.32Å; F246-F282 AromaticContact CE2-CZ 3.85Å; F246-F282 HydrophobicContact CE2-CZ 3.85Å; F246-F282 HydrophobicContact CZ-CE1 4.07Å; F246-F282 HydrophobicContact CZ-CE2 4.1Å; F246-F282 AromaticContact CZ-CZ 3.78Å; F246-F282 HydrophobicContact CZ-CZ 3.78Å
247	L	97.7	Very high	96.8	Very high	95 Å²	95	45.2 Å²	45.2	50%	0.497	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-69.4	165.5	172.1	-60.3	176.6	0	0	0	110.6	L249 H265 D266	L247-L249 PolarHBondContact O-N 3.14Å; L247-H265 HydrophobicContact CB-CB 3.68Å; L247-H265 HydrophobicContact CD1-CB 4.03Å; L247-D266 WeakPolarHBondContact CA-OD2 3.36Å; L247-D266 VanDerWaalsContact CB-OD2 3.27Å; L247-D266 WeakPolarHBondContact CB-OD2 3.35Å; L247-D266 PolarHBondContact N-OD2 2.87Å
248	P	98.1	Very high	96.8	Very high	17 Å²	17	45.1 Å²	45.1	11%	0.11	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-61.6	138.8	-174.8	-23.4	33	0	0	0	113.5	H224 H265	H224-P248 WeakPolarHBondContact O-CG 3.24Å; P248-H265 PolarHBondContact O-CD2 2.87Å; P248-H265 VanDerWaalsContact O-CD2 3.31Å; P248-H265 PolarHBondContact O-N 2.83Å
249	L	98.4	Very high	96.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.8	175.3	-62.6	163.7	0	0	0	109.4	V222 V228 L247 A262 M270 F272	V222-L249 HydrophobicContact CB-CB 3.85Å; V222-L249 HydrophobicContact CG1-CB 3.89Å; V222-L249 HydrophobicContact CG1-CD1 4.04Å; V222-L249 HydrophobicContact CG2-CB 4.11Å; V228-L249 HydrophobicContact CG2-CD1 3.35Å; L247-L249 PolarHBondContact O-N 3.14Å; L249-A262 HydrophobicContact CB-CB 4.44Å; L249-A262 HydrophobicContact CD1-CB 3.81Å; L249-A262 HydrophobicContact CD2-CB 4.14Å; L249-A262 HydrophobicContact CG-CB 4.35Å; L249-M270 HydrophobicContact CD2-SD 4.14Å; L249-F272 HydrophobicContact CD1-CE2 4.21Å; L249-F272 HydrophobicContact CD1-CZ 4.12Å
250	L	98.6	Very high	97	Very high	27 Å²	27	37.3 Å²	37.3	14%	0.141	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-27.4	-175.2	-61.6	-179.6	0	0	0	112.6	H208 S209 A263	H208-L250 HydrophobicContact CB-CD2 4.45Å; H208-L250 WeakPolarHBondContact CB-O 3.37Å; S209-L250 VanDerWaalsContact CB-O 3.31Å; S209-L250 WeakPolarHBondContact CB-O 3.15Å; L250-A263 PolarHBondContact N-O 2.8Å
251	S	98.7	Very high	97.2	Very high	7 Å²	7	36.4 Å²	36.4	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143	-178.7	-167.3	0	0	0	0	111.5	A262 A263 V330	S251-A262 CarbonylContact O-C 3.6Å; S251-A262 WeakPolarHBondContact O-CA 3.31Å; S251-A262 WeakPolarHBondContact O-CB 3.39Å; S251-A263 PolarHBondContact N-O 2.85Å; S251-A263 PolarHBondContact O-N 2.75Å; S251-V330 PolarHBondContact OG-N 3.37Å
252	V	98.8	Very high	97.3	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.3	177	64.6	0	0	0	0	110.6	S209 A220 V222 V260 V261 A262	S209-V252 PolarHBondContact OG-N 3.43Å; S209-V252 VanDerWaalsContact OG-N 3.14Å; S209-V252 PolarHBondContact OG-O 3Å; A220-V252 HydrophobicContact CB-CG2 4.27Å; V222-V252 HydrophobicContact CG1-CB 3.86Å; V222-V252 HydrophobicContact CG1-CG1 4.18Å; V222-V252 HydrophobicContact CG1-CG2 4.31Å; V222-V252 HydrophobicContact CG2-CB 4.19Å; V222-V252 HydrophobicContact CG2-CG1 4.09Å; V252-V260 HydrophobicContact CG2-CB 3.98Å; V252-V260 HydrophobicContact CG2-CG1 4.48Å; V252-V260 HydrophobicContact CG2-CG2 4.25Å; V252-V261 CarbonylContact C-O 3.51Å; V252-V261 WeakPolarHBondContact CA-O 3.27Å; V252-A262 HydrophobicContact CB-CB 4.14Å; V252-A262 HydrophobicContact CG2-CB 4.1Å
253	S	98.6	Very high	97.5	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.4	170.7	-174.5	0	0	0	0	110.3	V260 V261	S253-V260 CarbonylContact O-C 3.33Å; S253-V260 WeakPolarHBondContact O-CA 3.2Å; S253-V261 PolarHBondContact N-O 3.02Å; S253-V261 PolarHBondContact O-N 3.13Å
254	F	98.3	Very high	97.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	138.1	161	-82.6	-81.7	0	0	0	109.9	S211 F212 S213 R218 A220 V230 S256 E257 V260 I332 K337	S211-F254 VanDerWaalsContact O-CD2 3.3Å; S211-F254 WeakPolarHBondContact O-CD2 3.39Å; S211-F254 WeakPolarHBondContact O-CE2 3.24Å; S211-F254 PolarHBondContact OG-N 2.88Å; F212-F254 VanDerWaalsContact C-CD2 3.41Å; F212-F254 WeakPolarHBondContact O-CD2 3.39Å; S213-F254 VanDerWaalsContact N-CD2 3.32Å; R218-F254 HydrophobicContact CB-CE1 4.44Å; R218-F254 HydrophobicContact CB-CE2 4.32Å; R218-F254 HydrophobicContact CB-CZ 3.73Å; A220-F254 HydrophobicContact CB-CD2 4.1Å; A220-F254 HydrophobicContact CB-CE2 3.47Å; A220-F254 VanDerWaalsContact CB-CE2 3.47Å; A220-F254 HydrophobicContact CB-CZ 3.88Å; V230-F254 HydrophobicContact CG1-CZ 4.13Å; F254-S256 WeakPolarHBondContact CD1-O 3.32Å; F254-E257 WeakPolarHBondContact CE1-O 3.47Å; F254-V260 HydrophobicContact CB-CG1 4.42Å; F254-V260 HydrophobicContact CD1-CG1 3.38Å; F254-V260 HydrophobicContact CD2-CG1 4.04Å; F254-V260 HydrophobicContact CE1-CG1 3.51Å; F254-V260 HydrophobicContact CE2-CG1 4.16Å; F254-V260 HydrophobicContact CG-CG1 3.68Å; F254-V260 HydrophobicContact CZ-CG1 3.9Å; F254-I332 WeakPolarHBondContact O-CD1 3.23Å; F254-K337 HydrophobicContact CB-CB 4.42Å; F254-K337 HydrophobicContact CB-CD 4.42Å
255	V	97.4	Very high	97.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.131	C	C	.	.	S	Bend	trans	-119.7	-14.3	175.7	-66.5	0	0	0	0	111.9	S259 V261 L271 I332 K337 C340 F357 I369	V255-S259 WeakPolarHBondContact CG2-O 3.29Å; V255-S259 PolarHBondContact N-O 3.21Å; V255-V261 HydrophobicContact CG1-CB 4.17Å; V255-V261 HydrophobicContact CG1-CG2 3.8Å; V255-V261 HydrophobicContact CG2-CG2 4.05Å; V255-L271 HydrophobicContact CG2-CD1 4.28Å; V255-I332 HydrophobicContact CG1-CD1 4.03Å; V255-K337 CarbonylContact C-O 3.57Å; V255-C340 HydrophobicContact CB-CB 3.8Å; V255-C340 HydrophobicContact CG1-CB 4.2Å; V255-C340 WeakPolarHBondContact O-CB 3.44Å; V255-C340 PolarHBondContact O-N 3.44Å; V255-C340 VanDerWaalsContact O-N 3.07Å; V255-F357 HydrophobicContact CB-CE2 3.92Å; V255-F357 HydrophobicContact CB-CZ 4Å; V255-F357 HydrophobicContact CG1-CE2 4.05Å; V255-F357 HydrophobicContact CG1-CZ 3.95Å; V255-F357 HydrophobicContact CG2-CE2 4.29Å; V255-F357 HydrophobicContact CG2-CZ 3.97Å; V255-I369 HydrophobicContact CG2-CG2 4.5Å
256	S	95.8	Very high	97.7	Very high	16 Å²	16	19 Å²	19	11%	0.112	10%	0.1	C	C	.	.	S	Bend	trans	-146.3	-175	161.3	72.6	0	0	0	0	108.2	F254 N258 S259 K337	F254-S256 WeakPolarHBondContact CD1-O 3.32Å; S256-N258 PolarHBondContact O-N 3.1Å; S256-N258 PolarHBondContact OG-N 3.26Å; S256-S259 PolarHBondContact N-O 2.57Å; S256-S259 VanDerWaalsContact OG-CB 3.3Å; S256-S259 WeakPolarHBondContact OG-CB 3.43Å; S256-S259 PolarHBondContact OG-N 3.13Å; S256-S259 PolarHBondContact OG-OG 2.87Å; S256-K337 CarbonylContact C-O 3.55Å; S256-K337 WeakPolarHBondContact CA-O 3.35Å; S256-K337 PolarHBondContact N-O 2.64Å
257	E	94.7	Very high	97.7	Very high	48 Å²	48	18.1 Å²	18.1	22%	0.224	10%	0.097	C	C	.	.	S	Bend	trans	-62.7	-29.7	174.5	-74.6	-59.7	143.4	0	0	113.6	S213 A214 S215 F254	S213-E257 WeakPolarHBondContact CB-OE2 3.26Å; S213-E257 PolarHBondContact OG-OE2 3.4Å; A214-E257 WeakPolarHBondContact CA-OE1 3.41Å; A214-E257 VanDerWaalsContact CB-OE1 3.3Å; A214-E257 WeakPolarHBondContact CB-OE1 3.47Å; A214-E257 PolarHBondContact N-OE1 3.13Å; S215-E257 WeakPolarHBondContact CB-OE1 3.48Å; S215-E257 WeakPolarHBondContact CB-OE2 3.3Å; S215-E257 PolarHBondContact N-OE1 2.95Å; S215-E257 PolarHBondContact OG-OE2 2.85Å; F254-E257 WeakPolarHBondContact CE1-O 3.47Å
258	N	95.3	Very high	97.7	Very high	41 Å²	41	13.7 Å²	13.7	22%	0.219	7%	0.074	C	C	.	.	S	Bend	trans	-113.6	-9.7	-172.8	-71.8	-16.4	0	0	0	112.9	R218 S256 N273 C274 D276	R218-N258 PolarHBondContact NH1-OD1 2.92Å; R218-N258 PolarHBondContact NH2-OD1 3.4Å; R218-N258 VanDerWaalsContact NH2-OD1 3.14Å; S256-N258 PolarHBondContact O-N 3.1Å; S256-N258 PolarHBondContact OG-N 3.26Å; N258-N273 CarbonylContact O-C 3.55Å; N258-N273 WeakPolarHBondContact O-CA 3.24Å; N258-N273 PolarHBondContact O-ND2 2.91Å; N258-C274 WeakPolarHBondContact CB-O 3.44Å; N258-C274 PolarHBondContact O-N 3.03Å; N258-C274 PolarHBondContact OD1-O 3.42Å; N258-D276 PolarHBondContact ND2-OD1 3.08Å; N258-D276 VanDerWaalsContact ND2-OD1 3.13Å
259	S	96.9	Very high	97.7	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.021	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.3	-175.9	-60.7	0	0	0	0	112.1	V255 S256 F272 N273	V255-S259 WeakPolarHBondContact CG2-O 3.29Å; V255-S259 PolarHBondContact N-O 3.21Å; S256-S259 PolarHBondContact N-O 2.57Å; S256-S259 VanDerWaalsContact OG-CB 3.3Å; S256-S259 WeakPolarHBondContact OG-CB 3.43Å; S256-S259 PolarHBondContact OG-N 3.13Å; S256-S259 PolarHBondContact OG-OG 2.87Å; S259-F272 WeakPolarHBondContact CA-O 3.2Å; S259-N273 PolarHBondContact OG-ND2 2.96Å; S259-N273 VanDerWaalsContact OG-ND2 3.09Å
260	V	98	Very high	97.6	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.5	175.6	-59.8	0	0	0	0	110.7	A220 V228 V252 S253 F254 F272	A220-V260 HydrophobicContact CB-CG1 3.88Å; V228-V260 HydrophobicContact CG1-CG2 4.48Å; V252-V260 HydrophobicContact CG2-CB 3.98Å; V252-V260 HydrophobicContact CG2-CG1 4.48Å; V252-V260 HydrophobicContact CG2-CG2 4.25Å; S253-V260 CarbonylContact O-C 3.33Å; S253-V260 WeakPolarHBondContact O-CA 3.2Å; F254-V260 HydrophobicContact CB-CG1 4.42Å; F254-V260 HydrophobicContact CD1-CG1 3.38Å; F254-V260 HydrophobicContact CD2-CG1 4.04Å; F254-V260 HydrophobicContact CE1-CG1 3.51Å; F254-V260 HydrophobicContact CE2-CG1 4.16Å; F254-V260 HydrophobicContact CG-CG1 3.68Å; F254-V260 HydrophobicContact CZ-CG1 3.9Å; V260-F272 HydrophobicContact CG2-CB 3.73Å; V260-F272 HydrophobicContact CG2-CD2 4.33Å; V260-F272 HydrophobicContact CG2-CG 4.42Å; V260-F272 PolarHBondContact N-O 3.36Å; V260-F272 PolarHBondContact O-N 3.42Å
261	V	98.6	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.6	165.4	173.4	0	0	0	0	108.5	V252 S253 V255 P269 M270 L271 L286 V330 F343 F357	V252-V261 CarbonylContact C-O 3.51Å; V252-V261 WeakPolarHBondContact CA-O 3.27Å; S253-V261 PolarHBondContact N-O 3.02Å; S253-V261 PolarHBondContact O-N 3.13Å; V255-V261 HydrophobicContact CG1-CB 4.17Å; V255-V261 HydrophobicContact CG1-CG2 3.8Å; V255-V261 HydrophobicContact CG2-CG2 4.05Å; V261-P269 HydrophobicContact CG1-CB 4.02Å; V261-M270 WeakPolarHBondContact CA-O 3.38Å; V261-L271 HydrophobicContact CG2-CD1 3.96Å; V261-L286 HydrophobicContact CG1-CD1 4.36Å; V261-L286 HydrophobicContact CG2-CD1 4.01Å; V261-V330 HydrophobicContact CB-CG1 4.47Å; V261-V330 HydrophobicContact CG1-CG1 4.13Å; V261-F343 HydrophobicContact CG1-CD2 4.23Å; V261-F343 HydrophobicContact CG1-CE2 3.81Å; V261-F343 HydrophobicContact CG1-CZ 4Å; V261-F343 HydrophobicContact CG2-CE1 4.3Å; V261-F343 HydrophobicContact CG2-CZ 4.47Å; V261-F357 HydrophobicContact CG2-CE1 4.18Å; V261-F357 HydrophobicContact CG2-CZ 3.76Å
262	A	98.8	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.8	172.8	0	0	0	0	0	111.2	V222 L249 S251 V252 M270 F272	V222-A262 HydrophobicContact CG1-CB 4.12Å; L249-A262 HydrophobicContact CB-CB 4.44Å; L249-A262 HydrophobicContact CD1-CB 3.81Å; L249-A262 HydrophobicContact CD2-CB 4.14Å; L249-A262 HydrophobicContact CG-CB 4.35Å; S251-A262 CarbonylContact O-C 3.6Å; S251-A262 WeakPolarHBondContact O-CA 3.31Å; S251-A262 WeakPolarHBondContact O-CB 3.39Å; V252-A262 HydrophobicContact CB-CB 4.14Å; V252-A262 HydrophobicContact CG2-CB 4.1Å; A262-M270 PolarHBondContact N-O 3.02Å; A262-M270 PolarHBondContact O-N 2.99Å; A262-F272 HydrophobicContact CB-CD2 4.4Å; A262-F272 HydrophobicContact CB-CE2 4.04Å
263	A	98.7	Very high	97.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.1	178.5	0	0	0	0	0	110.7	L250 S251 P269 I327 V330	L250-A263 PolarHBondContact N-O 2.8Å; S251-A263 PolarHBondContact N-O 2.85Å; S251-A263 PolarHBondContact O-N 2.75Å; A263-P269 HydrophobicContact CB-CB 4.33Å; A263-I327 HydrophobicContact CB-CB 3.75Å; A263-I327 HydrophobicContact CB-CD1 3.87Å; A263-I327 HydrophobicContact CB-CG1 4.42Å; A263-I327 HydrophobicContact CB-CG2 3.53Å; A263-V330 HydrophobicContact CB-CG2 3.75Å
264	G	98.4	Very high	97.3	Very high	1 Å²	1	13 Å²	13	1%	0.01	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-130.3	-179.4	0	0	0	0	0	113	D266 C267 S326 I327	G264-D266 VanDerWaalsContact C-N 3.32Å; G264-D266 PolarHBondContact O-N 2.83Å; G264-C267 PolarHBondContact O-N 3.31Å; G264-C267 VanDerWaalsContact O-N 3.12Å; G264-S326 WeakPolarHBondContact O-CA 3.35Å; G264-I327 WeakPolarHBondContact CA-O 3.37Å; G264-I327 PolarHBondContact O-N 3.34Å
265	H	98.3	Very high	97	Very high	63 Å²	63	15 Å²	15	29%	0.292	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.6	-170.9	-69.2	-59.4	0	0	0	115	L247 P248 C267 S326	L247-H265 HydrophobicContact CB-CB 3.68Å; L247-H265 HydrophobicContact CD1-CB 4.03Å; P248-H265 PolarHBondContact O-CD2 2.87Å; P248-H265 VanDerWaalsContact O-CD2 3.31Å; P248-H265 PolarHBondContact O-N 2.83Å; H265-C267 PolarHBondContact O-N 2.99Å; H265-C267 PolarHBondContact O-SG 3.48Å; H265-C267 VanDerWaalsContact O-SG 3.36Å; H265-S326 PolarHBondContact ND1-OG 3.18Å
266	D	97.1	Very high	96.5	Very high	37 Å²	37	20.8 Å²	20.8	20%	0.198	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-3.7	170.6	-73.7	-92.6	0	0	0	114.1	F246 L247 G264 C268 M270	F246-D266 WeakPolarHBondContact CB-OD2 3.45Å; L247-D266 WeakPolarHBondContact CA-OD2 3.36Å; L247-D266 VanDerWaalsContact CB-OD2 3.27Å; L247-D266 WeakPolarHBondContact CB-OD2 3.35Å; L247-D266 PolarHBondContact N-OD2 2.87Å; G264-D266 VanDerWaalsContact C-N 3.32Å; G264-D266 PolarHBondContact O-N 2.83Å; D266-C268 PolarHBondContact O-N 3.49Å; D266-M270 HydrophobicContact CB-CE 3.63Å
267	C	96.9	Very high	96.1	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.054	14%	0.143	C	C	.	.	S	Bend	trans	59.5	17.8	180	-46.9	0	0	0	0	113.5	G264 H265 L319 T321 H323 N325	G264-C267 PolarHBondContact O-N 3.31Å; G264-C267 VanDerWaalsContact O-N 3.12Å; H265-C267 PolarHBondContact O-N 2.99Å; H265-C267 PolarHBondContact O-SG 3.48Å; H265-C267 VanDerWaalsContact O-SG 3.36Å; C267-L319 HydrophobicContact CB-CD1 3.96Å; C267-L319 VanDerWaalsContact SG-CD1 3.59Å; C267-T321 WeakPolarHBondContact O-CB 3.47Å; C267-H323 HydrophobicContact CB-CB 4.26Å; C267-N325 VanDerWaalsContact SG-CA 3.56Å; C267-N325 PolarHBondContact SG-O 3.17Å
268	C	96.8	Very high	95.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	14%	0.139	C	C	.	.	S	Bend	trans	-132.7	128.2	-174.5	-179.1	0	0	0	0	110	D266 T321	D266-C268 PolarHBondContact O-N 3.49Å; C268-T321 HydrophobicContact CB-CG2 3.93Å
269	P	97.9	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.			trans	-70.9	137.6	168.8	25.3	-26.3	0	0	0	111.3	V261 A263 L286 F343 W355	V261-P269 HydrophobicContact CG1-CB 4.02Å; A263-P269 HydrophobicContact CB-CB 4.33Å; P269-L286 HydrophobicContact CB-CB 4.5Å; P269-L286 HydrophobicContact CB-CD1 4.44Å; P269-L286 HydrophobicContact CG-CB 4.17Å; P269-L286 WeakPolarHBondContact O-CB 3.27Å; P269-L286 PolarHBondContact O-N 2.99Å; P269-F343 HydrophobicContact CB-CE2 3.94Å; P269-F343 HydrophobicContact CB-CZ 4.1Å; P269-F343 HydrophobicContact CG-CE2 4.25Å; P269-F343 HydrophobicContact CG-CZ 4.27Å; P269-W355 HydrophobicContact CG-CD2 3.98Å; P269-W355 HydrophobicContact CG-CE3 4.01Å; P269-W355 HydrophobicContact CG-CH2 3.55Å; P269-W355 HydrophobicContact CG-CZ2 3.48Å; P269-W355 VanDerWaalsContact CG-CZ2 3.48Å; P269-W355 HydrophobicContact CG-CZ3 3.8Å
270	M	98.1	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.3	-175.9	-65.3	173	-168	0	0	110	F246 L249 V261 A262 D266 F272 F282 S284 K285	F246-M270 HydrophobicContact CB-CE 3.81Å; F246-M270 HydrophobicContact CB-SD 4.33Å; F246-M270 HydrophobicContact CD1-CE 4.03Å; F246-M270 HydrophobicContact CD2-CE 3.75Å; F246-M270 HydrophobicContact CD2-SD 3.41Å; F246-M270 WeakPolarHBondContact CD2-SD 3.48Å; F246-M270 HydrophobicContact CE2-CE 4.36Å; F246-M270 HydrophobicContact CE2-SD 3.87Å; F246-M270 HydrophobicContact CG-CE 3.58Å; F246-M270 HydrophobicContact CG-SD 3.92Å; L249-M270 HydrophobicContact CD2-SD 4.14Å; V261-M270 WeakPolarHBondContact CA-O 3.38Å; A262-M270 PolarHBondContact N-O 3.02Å; A262-M270 PolarHBondContact O-N 2.99Å; D266-M270 HydrophobicContact CB-CE 3.63Å; M270-F272 HydrophobicContact CB-CD2 4.5Å; M270-F272 HydrophobicContact CB-CE2 3.63Å; M270-F272 HydrophobicContact CB-CZ 4.06Å; M270-F272 HydrophobicContact SD-CZ 4.38Å; M270-F282 HydrophobicContact CB-CE2 4.09Å; M270-F282 HydrophobicContact CG-CE2 4.22Å; M270-F282 HydrophobicContact SD-CE2 4.46Å; M270-S284 WeakPolarHBondContact CA-O 3.47Å; M270-K285 HydrophobicContact CG-CG 4.17Å
271	L	98	Very high	95.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.9	177.4	-176.3	71.1	0	0	0	110.8	V255 V261 I283 S284 L286 L367 I369	V255-L271 HydrophobicContact CG2-CD1 4.28Å; V261-L271 HydrophobicContact CG2-CD1 3.96Å; L271-I283 HydrophobicContact CB-CB 4.3Å; L271-I283 HydrophobicContact CD2-CB 4.1Å; L271-I283 HydrophobicContact CD2-CG1 4.49Å; L271-I283 HydrophobicContact CD2-CG2 3.93Å; L271-I283 HydrophobicContact CG-CB 4.16Å; L271-I283 HydrophobicContact CG-CG1 4.43Å; L271-I283 WeakPolarHBondContact O-CB 3.35Å; L271-I283 PolarHBondContact O-N 3.45Å; L271-S284 PolarHBondContact N-O 2.88Å; L271-S284 PolarHBondContact O-N 2.89Å; L271-L286 HydrophobicContact CB-CD1 4.3Å; L271-L286 HydrophobicContact CB-CD2 4.02Å; L271-L286 HydrophobicContact CB-CG 4.27Å; L271-L367 HydrophobicContact CD2-CD1 3.5Å; L271-L367 VanDerWaalsContact CD2-CD1 3.5Å; L271-I369 HydrophobicContact CD2-CD1 4.3Å; L271-I369 HydrophobicContact CD2-CG1 3.73Å
272	F	97.9	Very high	95.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.9	172.7	-55	-99	0	0	0	109.9	V228 L242 T244 L249 S259 V260 A262 M270 L280 T281 F282	V228-F272 HydrophobicContact CG2-CD1 4.29Å; V228-F272 HydrophobicContact CG2-CD2 4.39Å; V228-F272 HydrophobicContact CG2-CE1 3.86Å; V228-F272 HydrophobicContact CG2-CE2 3.99Å; V228-F272 HydrophobicContact CG2-CZ 3.71Å; L242-F272 HydrophobicContact CD2-CD1 3.71Å; L242-F272 HydrophobicContact CD2-CE1 3.84Å; T244-F272 HydrophobicContact CG2-CE1 3.9Å; T244-F272 HydrophobicContact CG2-CZ 4.16Å; L249-F272 HydrophobicContact CD1-CE2 4.21Å; L249-F272 HydrophobicContact CD1-CZ 4.12Å; S259-F272 WeakPolarHBondContact CA-O 3.2Å; V260-F272 HydrophobicContact CG2-CB 3.73Å; V260-F272 HydrophobicContact CG2-CD2 4.33Å; V260-F272 HydrophobicContact CG2-CG 4.42Å; V260-F272 PolarHBondContact N-O 3.36Å; V260-F272 PolarHBondContact O-N 3.42Å; A262-F272 HydrophobicContact CB-CD2 4.4Å; A262-F272 HydrophobicContact CB-CE2 4.04Å; M270-F272 HydrophobicContact CB-CD2 4.5Å; M270-F272 HydrophobicContact CB-CE2 3.63Å; M270-F272 HydrophobicContact CB-CZ 4.06Å; M270-F272 HydrophobicContact SD-CZ 4.38Å; F272-L280 HydrophobicContact CB-CD1 3.98Å; F272-T281 CarbonylContact C-O 3.58Å; F272-T281 WeakPolarHBondContact CA-O 3.21Å; F272-T281 WeakPolarHBondContact CB-O 3.27Å; F272-F282 HydrophobicContact CD1-CB 3.97Å; F272-F282 HydrophobicContact CD1-CD2 4.15Å; F272-F282 HydrophobicContact CE1-CB 3.9Å; F272-F282 AromaticContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CG 4.26Å; F272-F282 AromaticContact CZ-CD2 3.91Å; F272-F282 HydrophobicContact CZ-CD2 3.91Å
273	N	96.7	Very high	95.4	Very high	43 Å²	43	40.9 Å²	40.9	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137	175.8	-174.9	-99.6	0	0	0	110.4	N258 S259 L280 T281 I283	N258-N273 CarbonylContact O-C 3.55Å; N258-N273 WeakPolarHBondContact O-CA 3.24Å; N258-N273 PolarHBondContact O-ND2 2.91Å; S259-N273 PolarHBondContact OG-ND2 2.96Å; S259-N273 VanDerWaalsContact OG-ND2 3.09Å; N273-L280 CarbonylContact O-C 3.52Å; N273-L280 WeakPolarHBondContact O-CA 3.35Å; N273-T281 PolarHBondContact N-O 2.78Å; N273-T281 PolarHBondContact O-N 2.76Å; N273-T281 PolarHBondContact O-OG1 3.04Å; N273-I283 HydrophobicContact CB-CD1 3.83Å; N273-I283 HydrophobicContact CB-CG1 3.82Å
274	C	94.9	Very high	95.2	Very high	5 Å²	5	42 Å²	42	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	102.7	173.1	-172.8	0	0	0	0	108.2	R218 V230 N258 L279 L280	R218-C274 PolarHBondContact NH1-O 2.92Å; V230-C274 HydrophobicContact CG1-CB 4.41Å; V230-C274 HydrophobicContact CG2-CB 4.34Å; N258-C274 WeakPolarHBondContact CB-O 3.44Å; N258-C274 PolarHBondContact O-N 3.03Å; N258-C274 PolarHBondContact OD1-O 3.42Å; C274-L279 WeakPolarHBondContact CA-O 3.3Å; C274-L280 HydrophobicContact CB-CD1 4.08Å
275	D	91.6	Very high	95.1	Very high	44 Å²	44	45.7 Å²	45.7	24%	0.235	23%	0.225	C	C	.	.			trans	-67	175.3	-174.6	74.6	7	0	0	0	112.8	R277 G278 L279	D275-R277 PolarHBondContact O-N 2.8Å; D275-R277 VanDerWaalsContact O-N 3.13Å; D275-R277 VanDerWaalsContact OD1-CA 3.27Å; D275-R277 WeakPolarHBondContact OD1-CA 3.37Å; D275-R277 VanDerWaalsContact OD1-CB 3.3Å; D275-R277 WeakPolarHBondContact OD1-CB 3.37Å; D275-R277 PolarHBondContact OD1-N 2.87Å; D275-G278 PolarHBondContact O-N 2.86Å; D275-G278 PolarHBondContact OD1-N 2.85Å; D275-L279 PolarHBondContact N-O 3.07Å; D275-L279 VanDerWaalsContact N-O 3.1Å; D275-L279 PolarHBondContact OD1-N 3.16Å
276	D	86.7	Confident	94.9	Very high	121 Å²	121	42.7 Å²	42.7	65%	0.647	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.4	177.6	-63.4	-26.7	0	0	0	113.7	R218 K235 N258	R218-D276 IonicContact NH2-OD1 3.86Å; K235-D276 VanDerWaalsContact NZ-C 3.28Å; K235-D276 PolarHBondContact NZ-O 2.87Å; N258-D276 PolarHBondContact ND2-OD1 3.08Å; N258-D276 VanDerWaalsContact ND2-OD1 3.13Å
277	R	87.4	Confident	94.7	Very high	215 Å²	215	41.6 Å²	41.6	81%	0.811	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-11.7	170.1	-53.6	179.5	-167.3	-165.2	4.2	111.3	D275	D275-R277 PolarHBondContact O-N 2.8Å; D275-R277 VanDerWaalsContact O-N 3.13Å; D275-R277 VanDerWaalsContact OD1-CA 3.27Å; D275-R277 WeakPolarHBondContact OD1-CA 3.37Å; D275-R277 VanDerWaalsContact OD1-CB 3.3Å; D275-R277 WeakPolarHBondContact OD1-CB 3.37Å; D275-R277 PolarHBondContact OD1-N 2.87Å
278	G	86.2	Confident	94	Very high	13 Å²	13	44.7 Å²	44.7	13%	0.134	22%	0.221	C	C	.	.			trans	87.1	19.3	-176.3	0	0	0	0	0	112.8	S240 D275	S240-G278 WeakPolarHBondContact CB-O 3.33Å; S240-G278 PolarHBondContact OG-O 2.74Å; D275-G278 PolarHBondContact O-N 2.86Å; D275-G278 PolarHBondContact OD1-N 2.85Å
279	L	93.8	Very high	92.6	Very high	100 Å²	100	47.8 Å²	47.8	52%	0.524	24%	0.241	S	C	.	.			trans	-87.3	119.1	174.1	-178.4	64.4	0	0	0	109.9	C274 D275 T281	C274-L279 WeakPolarHBondContact CA-O 3.3Å; D275-L279 PolarHBondContact N-O 3.07Å; D275-L279 VanDerWaalsContact N-O 3.1Å; D275-L279 PolarHBondContact OD1-N 3.16Å; L279-T281 HydrophobicContact CD2-CG2 4.07Å; L279-T281 HydrophobicContact CG-CG2 3.97Å
280	L	96.7	Very high	90.8	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.7	174.8	-177.4	64.5	0	0	0	110.3	V228 V230 S240 L242 F272 N273 C274	V228-L280 HydrophobicContact CB-CD2 3.97Å; V228-L280 HydrophobicContact CG1-CD2 3.92Å; V228-L280 VanDerWaalsContact O-CD2 3.27Å; V228-L280 WeakPolarHBondContact O-CD2 3.3Å; V230-L280 HydrophobicContact CG2-CD1 4Å; V230-L280 HydrophobicContact CG2-CD2 4.24Å; S240-L280 WeakPolarHBondContact OG-CB 3.47Å; S240-L280 PolarHBondContact OG-N 2.91Å; L242-L280 HydrophobicContact CB-CB 4.5Å; L242-L280 HydrophobicContact CB-CD2 3.85Å; L242-L280 HydrophobicContact CB-CG 4.05Å; F272-L280 HydrophobicContact CB-CD1 3.98Å; N273-L280 CarbonylContact O-C 3.52Å; N273-L280 WeakPolarHBondContact O-CA 3.35Å; C274-L280 HydrophobicContact CB-CD1 4.08Å
281	T	97.2	Very high	88.4	Confident	52 Å²	52	63.3 Å²	63.3	32%	0.319	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146	-179.9	59.4	0	0	0	0	111.3	F272 N273 L279	F272-T281 CarbonylContact C-O 3.58Å; F272-T281 WeakPolarHBondContact CA-O 3.21Å; F272-T281 WeakPolarHBondContact CB-O 3.27Å; N273-T281 PolarHBondContact N-O 2.78Å; N273-T281 PolarHBondContact O-N 2.76Å; N273-T281 PolarHBondContact O-OG1 3.04Å; L279-T281 HydrophobicContact CD2-CG2 4.07Å; L279-T281 HydrophobicContact CG-CG2 3.97Å
282	F	97.4	Very high	85.6	Confident	77 Å²	77	68.2 Å²	68.2	34%	0.338	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.9	168.2	169.6	-105	0	0	0	109.2	L242 F246 M270 F272 S284 K285	L242-F282 HydrophobicContact CD2-CB 3.98Å; F246-F282 HydrophobicContact CE2-CD1 4.49Å; F246-F282 AromaticContact CE2-CD2 3.93Å; F246-F282 HydrophobicContact CE2-CD2 3.93Å; F246-F282 HydrophobicContact CE2-CE1 4.27Å; F246-F282 AromaticContact CE2-CE2 3.67Å; F246-F282 HydrophobicContact CE2-CE2 3.67Å; F246-F282 HydrophobicContact CE2-CG 4.32Å; F246-F282 AromaticContact CE2-CZ 3.85Å; F246-F282 HydrophobicContact CE2-CZ 3.85Å; F246-F282 HydrophobicContact CZ-CE1 4.07Å; F246-F282 HydrophobicContact CZ-CE2 4.1Å; F246-F282 AromaticContact CZ-CZ 3.78Å; F246-F282 HydrophobicContact CZ-CZ 3.78Å; M270-F282 HydrophobicContact CB-CE2 4.09Å; M270-F282 HydrophobicContact CG-CE2 4.22Å; M270-F282 HydrophobicContact SD-CE2 4.46Å; F272-F282 HydrophobicContact CD1-CB 3.97Å; F272-F282 HydrophobicContact CD1-CD2 4.15Å; F272-F282 HydrophobicContact CE1-CB 3.9Å; F272-F282 AromaticContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CG 4.26Å; F272-F282 AromaticContact CZ-CD2 3.91Å; F272-F282 HydrophobicContact CZ-CD2 3.91Å; F282-S284 VanDerWaalsContact CZ-C 3.47Å; F282-K285 HydrophobicContact CZ-CG 4.24Å
283	I	96.2	Very high	82.9	Confident	71 Å²	71	75 Å²	75	36%	0.364	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-58.9	-177.9	-56.9	-58.4	0	0	0	111	L271 N273 L367	L271-I283 HydrophobicContact CB-CB 4.3Å; L271-I283 HydrophobicContact CD2-CB 4.1Å; L271-I283 HydrophobicContact CD2-CG1 4.49Å; L271-I283 HydrophobicContact CD2-CG2 3.93Å; L271-I283 HydrophobicContact CG-CB 4.16Å; L271-I283 HydrophobicContact CG-CG1 4.43Å; L271-I283 WeakPolarHBondContact O-CB 3.35Å; L271-I283 PolarHBondContact O-N 3.45Å; N273-I283 HydrophobicContact CB-CD1 3.83Å; N273-I283 HydrophobicContact CB-CG1 3.82Å; I283-L367 HydrophobicContact CG2-CD1 3.85Å
284	S	95.5	Very high	80.3	Confident	23 Å²	23	80.3 Å²	80.3	16%	0.161	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	156.5	-175.4	-161.8	0	0	0	0	113.4	M270 L271 F282	M270-S284 WeakPolarHBondContact CA-O 3.47Å; L271-S284 PolarHBondContact N-O 2.88Å; L271-S284 PolarHBondContact O-N 2.89Å; F282-S284 VanDerWaalsContact CZ-C 3.47Å
285	K	95.6	Very high	78	Confident	78 Å²	78	87.7 Å²	87.7	34%	0.339	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.3	160	-76.6	-175.7	177.4	-172.4	0	108.3	M270 F282	M270-K285 HydrophobicContact CG-CG 4.17Å; F282-K285 HydrophobicContact CZ-CG 4.24Å
286	L	95.3	Very high	75.8	Confident	1 Å²	1	92.6 Å²	92.6	1%	0.005	46%	0.457	C	S	.	.	S	Bend	trans	-90	-13.6	-173.7	-59.8	179.3	0	0	0	113.3	V261 P269 L271 F343 F357 L360 I364 L367	V261-L286 HydrophobicContact CG1-CD1 4.36Å; V261-L286 HydrophobicContact CG2-CD1 4.01Å; P269-L286 HydrophobicContact CB-CB 4.5Å; P269-L286 HydrophobicContact CB-CD1 4.44Å; P269-L286 HydrophobicContact CG-CB 4.17Å; P269-L286 WeakPolarHBondContact O-CB 3.27Å; P269-L286 PolarHBondContact O-N 2.99Å; L271-L286 HydrophobicContact CB-CD1 4.3Å; L271-L286 HydrophobicContact CB-CD2 4.02Å; L271-L286 HydrophobicContact CB-CG 4.27Å; L286-F343 HydrophobicContact CD1-CE1 3.93Å; L286-F343 HydrophobicContact CD1-CZ 3.67Å; L286-F357 HydrophobicContact CD1-CE1 4.16Å; L286-L360 HydrophobicContact CB-CD1 4.28Å; L286-L360 HydrophobicContact CB-CD2 4.43Å; L286-L360 HydrophobicContact CD1-CD1 4.36Å; L286-L360 HydrophobicContact CD2-CD1 4.38Å; L286-L360 WeakPolarHBondContact O-CD2 3.17Å; L286-I364 HydrophobicContact CD2-CD1 4.26Å; L286-L367 HydrophobicContact CD2-CD2 4.06Å
287	D	92.5	Very high	74.4	Confident	13 Å²	13	90 Å²	90	7%	0.07	44%	0.443	C	S	.	.			trans	-98.4	87.8	173.2	-162.6	0.9	0	0	0	109.7	T321 L322 W355	D287-T321 VanDerWaalsContact OD2-CA 3.27Å; D287-T321 WeakPolarHBondContact OD2-CA 3.19Å; D287-T321 WeakPolarHBondContact OD2-CB 3.47Å; D287-L322 PolarHBondContact OD2-N 2.9Å; D287-W355 HydrophobicContact CB-CH2 3.7Å; D287-W355 HydrophobicContact CB-CZ3 3.85Å
288	I	81.2	Confident	73.2	Confident	73 Å²	73	82.7 Å²	82.7	37%	0.374	43%	0.425	S	S	.	.			trans	-94.6	120.8	175.2	-54.2	-165	0	0	0	107.9	K290 I364	I288-K290 PolarHBondContact O-N 2.98Å; I288-I364 HydrophobicContact CD1-CB 4.22Å; I288-I364 HydrophobicContact CD1-CD1 3.68Å; I288-I364 HydrophobicContact CD1-CG1 3.53Å; I288-I364 HydrophobicContact CD1-CG2 3.98Å; I288-I364 HydrophobicContact CG1-CD1 3.89Å; I288-I364 HydrophobicContact CG1-CG1 4.13Å
289	P	68.8	Low	72.2	Confident	68 Å²	68	86.1 Å²	86.1	44%	0.442	45%	0.452	S	S	.	.			trans	-56.7	115	175.9	-21.2	31.1	0	0	0	109.4	E320	P289-E320 HydrophobicContact CG-CB 3.95Å
290	K	59.8	Low	70.9	Confident	132 Å²	132	87.2 Å²	87.2	57%	0.574	46%	0.456	S	S	*	.			trans	-69.5	131.1	160	-67.1	-172.7	178.1	-172.2	0	105.9	I288 S292	I288-K290 PolarHBondContact O-N 2.98Å; K290-S292 PolarHBondContact O-N 2.92Å
291	Q	46.8	Very low	69.5	Low	194 Å²	194	91.9 Å²	91.9	91%	0.907	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.4	115.8	174.6	-81	178.4	-6.3	0	0	109.9	I293	Q291-I293 PolarHBondContact O-N 3.25Å
292	S	39.5	Very low	67.9	Low	104 Å²	104	96 Å²	96	73%	0.727	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-23.5	96.4	-166	58	0	0	0	0	114.2	K290 Q294	K290-S292 PolarHBondContact O-N 2.92Å; S292-Q294 PolarHBondContact O-N 2.86Å
293	I	41.1	Very low	66.5	Low	141 Å²	141	98.7 Å²	98.7	72%	0.723	50%	0.499	S	S	*	.			trans	-74.2	88.7	154	-56.8	174.1	0	0	0	103.8	Q291 R295	Q291-I293 PolarHBondContact O-N 3.25Å; I293-R295 VanDerWaalsContact C-N 3.29Å; I293-R295 PolarHBondContact O-N 2.83Å
294	Q	41.6	Very low	65	Low	155 Å²	155	102.8 Å²	102.8	72%	0.724	51%	0.51	S	S	*	.			trans	-53.3	102.2	166.5	-84.7	-178.2	-13	0	0	106.5	S292 N296	S292-Q294 PolarHBondContact O-N 2.86Å; Q294-N296 PolarHBondContact O-N 3.32Å
295	R	47.6	Very low	63.5	Low	160 Å²	160	103.7 Å²	103.7	60%	0.604	51%	0.512	S	S	*	.			trans	-59.7	110.1	165.3	-110.4	-178.6	173	179.3	-0.6	104.9	L3 I293 I297	L3-R295 PolarHBondContact O-NH2 2.92Å; I293-R295 VanDerWaalsContact C-N 3.29Å; I293-R295 PolarHBondContact O-N 2.83Å; R295-I297 HydrophobicContact CB-CG1 4.39Å; R295-I297 PolarHBondContact O-N 2.77Å
296	N	44.1	Very low	62	Low	147 Å²	147	103.6 Å²	103.6	79%	0.786	51%	0.514	S	S	*	.			trans	-68.1	76.9	169.3	-82.9	-21.3	0	0	0	108.3	Q294 S298	Q294-N296 PolarHBondContact O-N 3.32Å; N296-S298 PolarHBondContact O-N 2.89Å
297	I	58.1	Low	60.4	Low	67 Å²	67	109.4 Å²	109.4	34%	0.344	55%	0.545	S	S	.	.			trans	-62.9	121.1	165.5	-55.2	173.7	0	0	0	105.5	R295 E301 R302	R295-I297 HydrophobicContact CB-CG1 4.39Å; R295-I297 PolarHBondContact O-N 2.77Å; I297-E301 HydrophobicContact CG2-CB 3.78Å; I297-E301 HydrophobicContact CG2-CG 3.76Å; I297-R302 HydrophobicContact CB-CG 3.96Å; I297-R302 HydrophobicContact CG2-CG 3.59Å; I297-R302 PolarHBondContact O-NE 3.46Å
298	S	63.1	Low	58.9	Low	62 Å²	62	116.1 Å²	116.1	43%	0.434	57%	0.574	S	S	.	*			trans	-58.5	149.6	-179.5	71.8	0	0	0	0	110.7	N296 M300 E301 R302	N296-S298 PolarHBondContact O-N 2.89Å; S298-M300 PolarHBondContact O-N 3.42Å; S298-M300 VanDerWaalsContact O-N 3.14Å; S298-E301 PolarHBondContact O-N 2.59Å; S298-E301 VanDerWaalsContact OG-CB 3.29Å; S298-E301 WeakPolarHBondContact OG-CB 3.33Å; S298-E301 PolarHBondContact OG-N 3.43Å; S298-R302 PolarHBondContact O-N 3.13Å
299	A	63.6	Low	58	Low	84 Å²	84	119.9 Å²	119.9	69%	0.694	58%	0.583	S	S	*	*	H	α-helix	trans	-54.8	-34.7	178.4	0	0	0	0	0	112.5	R302 F303	A299-R302 PolarHBondContact O-N 2.95Å; A299-F303 WeakPolarHBondContact O-CB 3.41Å; A299-F303 PolarHBondContact O-N 3Å
300	M	66.7	Low	57.6	Low	124 Å²	124	121 Å²	121	61%	0.611	60%	0.599	S	S	*	*	H	α-helix	trans	-71	-37.9	177.3	-176.3	161.6	-80.4	0	0	112.9	S298 F303 R304	S298-M300 PolarHBondContact O-N 3.42Å; S298-M300 VanDerWaalsContact O-N 3.14Å; M300-F303 PolarHBondContact O-N 2.81Å; M300-R304 WeakPolarHBondContact O-CB 3.49Å; M300-R304 VanDerWaalsContact O-CG 3.32Å; M300-R304 WeakPolarHBondContact O-CG 3.38Å; M300-R304 PolarHBondContact O-N 3.4Å
301	E	67	Low	57.5	Low	103 Å²	103	118.2 Å²	118.2	48%	0.481	59%	0.593	S	S	.	*	H	α-helix	trans	-70.2	-38	174.7	-172.7	175.8	-169	0	0	111.3	I297 S298 R304 N305	I297-E301 HydrophobicContact CG2-CB 3.78Å; I297-E301 HydrophobicContact CG2-CG 3.76Å; S298-E301 PolarHBondContact O-N 2.59Å; S298-E301 VanDerWaalsContact OG-CB 3.29Å; S298-E301 WeakPolarHBondContact OG-CB 3.33Å; S298-E301 PolarHBondContact OG-N 3.43Å; E301-R304 PolarHBondContact O-N 2.84Å; E301-N305 WeakPolarHBondContact O-CB 3.48Å; E301-N305 PolarHBondContact O-N 2.61Å; E301-N305 PolarHBondContact O-ND2 2.89Å
302	R	65.3	Low	57.8	Low	138 Å²	138	115.9 Å²	115.9	52%	0.521	59%	0.592	S	S	.	*	H	α-helix	trans	-59.8	-46.9	169.8	-69	-172.5	-176.4	-158.6	-3.2	111.6	I297 S298 A299 N305 M306	I297-R302 HydrophobicContact CB-CG 3.96Å; I297-R302 HydrophobicContact CG2-CG 3.59Å; I297-R302 PolarHBondContact O-NE 3.46Å; S298-R302 PolarHBondContact O-N 3.13Å; A299-R302 PolarHBondContact O-N 2.95Å; R302-N305 PolarHBondContact O-N 3.44Å; R302-M306 WeakPolarHBondContact O-CG 3.36Å; R302-M306 PolarHBondContact O-N 3.18Å
303	F	67.2	Low	58.4	Low	134 Å²	134	116.6 Å²	116.6	59%	0.588	58%	0.584	S	S	*	*	H	α-helix	trans	-61.8	-47.9	179.1	-166.8	-93.1	0	0	0	111.7	A299 M300 N305 M306 D307	A299-F303 WeakPolarHBondContact O-CB 3.41Å; A299-F303 PolarHBondContact O-N 3Å; M300-F303 PolarHBondContact O-N 2.81Å; F303-N305 VanDerWaalsContact C-N 3.27Å; F303-N305 PolarHBondContact O-N 3.1Å; F303-M306 HydrophobicContact CD2-CE 4.2Å; F303-M306 PolarHBondContact O-N 2.88Å; F303-D307 WeakPolarHBondContact O-CB 3.36Å; F303-D307 PolarHBondContact O-N 2.81Å
304	R	64.1	Low	58.8	Low	158 Å²	158	117.8 Å²	117.8	60%	0.596	59%	0.592	S	S	*	*	H	α-helix	trans	-59.1	-37.7	175	-74	176.2	-177	176	2.3	112.5	M300 E301 K308	M300-R304 WeakPolarHBondContact O-CB 3.49Å; M300-R304 VanDerWaalsContact O-CG 3.32Å; M300-R304 WeakPolarHBondContact O-CG 3.38Å; M300-R304 PolarHBondContact O-N 3.4Å; E301-R304 PolarHBondContact O-N 2.84Å; R304-K308 WeakPolarHBondContact O-CB 3.39Å; R304-K308 WeakPolarHBondContact O-CG 3.41Å; R304-K308 PolarHBondContact O-N 3.01Å
305	N	65.1	Low	59.1	Low	41 Å²	41	118.8 Å²	118.8	22%	0.219	59%	0.589	C	S	.	*	H	α-helix	trans	-72.5	-38.3	178.5	-72.1	-15	0	0	0	112.3	E301 R302 F303 R309	E301-N305 WeakPolarHBondContact O-CB 3.48Å; E301-N305 PolarHBondContact O-N 2.61Å; E301-N305 PolarHBondContact O-ND2 2.89Å; R302-N305 PolarHBondContact O-N 3.44Å; F303-N305 VanDerWaalsContact C-N 3.27Å; F303-N305 PolarHBondContact O-N 3.1Å; N305-R309 VanDerWaalsContact O-CB 3.28Å; N305-R309 WeakPolarHBondContact O-CB 3.29Å; N305-R309 WeakPolarHBondContact O-CG 3.11Å; N305-R309 PolarHBondContact O-N 2.87Å
306	M	64.1	Low	59.4	Low	76 Å²	76	118.7 Å²	118.7	37%	0.374	60%	0.6	S	S	.	*	H	α-helix	trans	-63.2	-43	173.1	-74.1	-172.4	-64	0	0	111.5	R302 F303 R309 A310 T311	R302-M306 WeakPolarHBondContact O-CG 3.36Å; R302-M306 PolarHBondContact O-N 3.18Å; F303-M306 HydrophobicContact CD2-CE 4.2Å; F303-M306 PolarHBondContact O-N 2.88Å; M306-R309 CarbonylContact O-C 3.55Å; M306-R309 PolarHBondContact O-N 2.8Å; M306-R309 VanDerWaalsContact O-N 3.12Å; M306-A310 PolarHBondContact O-N 3.4Å; M306-T311 PolarHBondContact O-N 3.37Å
307	D	62.1	Low	60.6	Low	124 Å²	124	116.9 Å²	116.9	66%	0.663	60%	0.595	S	S	*	*	H	α-helix	trans	-62.8	-44.5	179.4	-146.9	25.6	0	0	0	110.8	F303 R309 A310	F303-D307 WeakPolarHBondContact O-CB 3.36Å; F303-D307 PolarHBondContact O-N 2.81Å; D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 3.39Å; D307-A310 PolarHBondContact O-N 3.25Å
308	K	60.5	Low	61.7	Low	154 Å²	154	118.3 Å²	118.3	67%	0.67	61%	0.606	S	S	*	*	H	α-helix	trans	-67.5	-27.4	173.8	-72.2	-177.2	178.2	-171.2	0	114	L8 R304	L8-K308 HydrophobicContact CD1-CB 3.4Å; L8-K308 VanDerWaalsContact CD1-CB 3.4Å; L8-K308 HydrophobicContact CD1-CD 3.35Å; L8-K308 HydrophobicContact CD1-CG 4.03Å; L8-K308 HydrophobicContact CG-CD 4.27Å; R304-K308 WeakPolarHBondContact O-CB 3.39Å; R304-K308 WeakPolarHBondContact O-CG 3.41Å; R304-K308 PolarHBondContact O-N 3.01Å
309	R	62	Low	62.8	Low	151 Å²	151	119.2 Å²	119.2	57%	0.57	61%	0.606	S	S	*	*	H	α-helix	trans	-89.1	-8.1	179.5	-73	176	179.7	-171.1	-1	113.4	N305 M306 D307 T311	N305-R309 VanDerWaalsContact O-CB 3.28Å; N305-R309 WeakPolarHBondContact O-CB 3.29Å; N305-R309 WeakPolarHBondContact O-CG 3.11Å; N305-R309 PolarHBondContact O-N 2.87Å; M306-R309 CarbonylContact O-C 3.55Å; M306-R309 PolarHBondContact O-N 2.8Å; M306-R309 VanDerWaalsContact O-N 3.12Å; D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 3.39Å; R309-T311 HydrophobicContact CB-CG2 4.23Å; R309-T311 PolarHBondContact O-N 2.96Å
310	A	60.7	Low	64	Low	92 Å²	92	123.2 Å²	123.2	76%	0.76	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.1	36.1	-175.7	0	0	0	0	0	113.7	M306 D307	M306-A310 PolarHBondContact O-N 3.4Å; D307-A310 PolarHBondContact O-N 3.25Å
311	T	57.8	Low	65.2	Low	73 Å²	73	118.5 Å²	118.5	45%	0.448	59%	0.589	S	S	.	*			trans	-107.7	131.4	-178.9	51.4	0	0	0	0	111.6	M306 R309	M306-T311 PolarHBondContact O-N 3.37Å; R309-T311 HydrophobicContact CB-CG2 4.23Å; R309-T311 PolarHBondContact O-N 2.96Å
312	T	53.3	Low	66.4	Low	145 Å²	145	116.1 Å²	116.1	89%	0.89	58%	0.579	S	S	*	*			trans	-104.2	-4.4	-179.4	52.5	0	0	0	0	114.7
313	E	51.3	Low	67.8	Low	120 Å²	120	109.5 Å²	109.5	56%	0.561	55%	0.554	S	S	*	*	S	Bend	trans	-119.5	134.9	-176.6	-69.4	-173.6	175.3	0	0	113	R315	E313-R315 HydrophobicContact CB-CG 4.31Å; E313-R315 PolarHBondContact O-N 3.23Å; E313-R315 IonicContact OE2-CZ 2.74Å; E313-R315 VanDerWaalsContact OE2-CZ 3.29Å; E313-R315 IonicContact OE2-NE 3.31Å; E313-R315 PolarHBondContact OE2-NE 3.19Å; E313-R315 IonicContact OE2-NH2 2.69Å; E313-R315 PolarHBondContact OE2-NH2 3.31Å
314	D	48.8	Very low	69.1	Low	166 Å²	166	106.7 Å²	106.7	89%	0.888	54%	0.543	S	S	*	.			trans	-74.1	63.1	169.9	-108.2	-17.1	0	0	0	110.7
315	R	48.1	Very low	70.6	Confident	175 Å²	175	102.4 Å²	102.4	66%	0.66	53%	0.531	S	S	*	.			trans	-81.7	122.8	166.9	-66.4	-171.2	-171.8	-167	1.2	108.7	E313 T317	E313-R315 HydrophobicContact CB-CG 4.31Å; E313-R315 PolarHBondContact O-N 3.23Å; E313-R315 IonicContact OE2-CZ 2.74Å; E313-R315 VanDerWaalsContact OE2-CZ 3.29Å; E313-R315 IonicContact OE2-NE 3.31Å; E313-R315 PolarHBondContact OE2-NE 3.19Å; E313-R315 IonicContact OE2-NH2 2.69Å; E313-R315 PolarHBondContact OE2-NH2 3.31Å; R315-T317 HydrophobicContact CB-CG2 3.87Å; R315-T317 PolarHBondContact O-N 2.68Å; R315-T317 PolarHBondContact O-OG1 3.36Å; R315-T317 VanDerWaalsContact O-OG1 3.09Å
316	N	53.8	Low	72.2	Confident	158 Å²	158	101 Å²	101	85%	0.845	53%	0.525	S	S	*	.			trans	-68.6	75.1	176.4	-145.8	16.6	0	0	0	109.9
317	T	69.6	Low	73.8	Confident	109 Å²	109	97.3 Å²	97.3	67%	0.669	51%	0.507	S	S	*	.			trans	-96.8	8.1	-175.3	45.7	0	0	0	0	112.1	R315	R315-T317 HydrophobicContact CB-CG2 3.87Å; R315-T317 PolarHBondContact O-N 2.68Å; R315-T317 PolarHBondContact O-OG1 3.36Å; R315-T317 VanDerWaalsContact O-OG1 3.09Å
318	T	81.1	Confident	75.5	Confident	97 Å²	97	93.2 Å²	93.2	60%	0.595	49%	0.486	S	S	*	.			trans	-75.7	126.1	-179.5	53.3	0	0	0	0	110.6
319	L	86.6	Confident	77.3	Confident	81 Å²	81	86.9 Å²	86.9	42%	0.424	46%	0.459	S	S	.	.			trans	-76.2	154.8	173.4	-57.2	178.5	0	0	0	110.3	C267 T321 Q324	C267-L319 HydrophobicContact CB-CD1 3.96Å; C267-L319 VanDerWaalsContact SG-CD1 3.59Å; L319-T321 WeakPolarHBondContact CB-OG1 3.37Å; L319-T321 PolarHBondContact O-N 2.88Å; L319-Q324 PolarHBondContact O-NE2 3Å
320	E	88.7	Confident	79	Confident	169 Å²	169	80.2 Å²	80.2	79%	0.79	44%	0.435	S	S	*	.	S	Bend	trans	-73.2	-14.1	173.9	-61.3	-172.9	163.3	0	0	113.1	P289	P289-E320 HydrophobicContact CG-CB 3.95Å
321	T	92.3	Very high	80.8	Confident	25 Å²	25	76.8 Å²	76.8	15%	0.153	41%	0.406	C	S	.	.	S	Bend	trans	-77.9	152.8	177.2	48.2	0	0	0	0	111.8	C267 C268 D287 L319 H323 Q324	C267-T321 WeakPolarHBondContact O-CB 3.47Å; C268-T321 HydrophobicContact CB-CG2 3.93Å; D287-T321 VanDerWaalsContact OD2-CA 3.27Å; D287-T321 WeakPolarHBondContact OD2-CA 3.19Å; D287-T321 WeakPolarHBondContact OD2-CB 3.47Å; L319-T321 WeakPolarHBondContact CB-OG1 3.37Å; L319-T321 PolarHBondContact O-N 2.88Å; T321-H323 VanDerWaalsContact C-N 3.33Å; T321-H323 WeakPolarHBondContact CB-O 3.37Å; T321-H323 PolarHBondContact O-N 3.34Å; T321-H323 PolarHBondContact OG1-O 2.83Å; T321-Q324 PolarHBondContact O-NE2 2.73Å
322	L	92.6	Very high	82.7	Confident	52 Å²	52	74.3 Å²	74.3	27%	0.272	39%	0.389	S	S	.	.	S	Bend	trans	-59	-44.8	172.2	-72.3	177.1	0	0	0	111.6	M1 D287 T353 W355	M1-L322 HydrophobicContact CB-CD1 4.01Å; M1-L322 HydrophobicContact SD-CD1 3.97Å; D287-L322 PolarHBondContact OD2-N 2.9Å; L322-T353 HydrophobicContact CD1-CG2 3.93Å; L322-W355 HydrophobicContact CB-CH2 4.5Å; L322-W355 HydrophobicContact CD1-CH2 3.82Å; L322-W355 HydrophobicContact CD1-CZ2 4.39Å; L322-W355 HydrophobicContact CD1-CZ3 4.19Å
323	H	94.6	Very high	84.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-78	135.9	171.1	-79.1	-80.5	0	0	0	110.2	C267 T321 I327 T345 D349 A351 T353	C267-H323 HydrophobicContact CB-CB 4.26Å; T321-H323 VanDerWaalsContact C-N 3.33Å; T321-H323 WeakPolarHBondContact CB-O 3.37Å; T321-H323 PolarHBondContact O-N 3.34Å; T321-H323 PolarHBondContact OG1-O 2.83Å; H323-I327 HydrophobicContact CB-CD1 4.28Å; H323-I327 HydrophobicContact CB-CG1 3.97Å; H323-T345 PolarHBondContact NE2-OG1 3.45Å; H323-D349 WeakPolarHBondContact CA-OD2 3.29Å; H323-D349 WeakPolarHBondContact CB-OD2 3.4Å; H323-D349 IonicContact CE1-OD1 2.99Å; H323-D349 IonicContact CG-OD2 3.08Å; H323-D349 IonicContact ND1-OD1 3.43Å; H323-D349 PolarHBondContact ND1-OD1 2.65Å; H323-D349 VanDerWaalsContact ND1-OD1 3.08Å; H323-D349 IonicContact ND1-OD2 2.65Å; H323-D349 PolarHBondContact ND1-OD2 3.41Å; H323-A351 PolarHBondContact CE1-O 3.18Å; H323-T353 PolarHBondContact NE2-OG1 3.02Å; H323-T353 VanDerWaalsContact NE2-OG1 3.12Å
324	Q	94.1	Very high	86.8	Confident	74 Å²	74	66 Å²	66	35%	0.346	34%	0.34	S	S	.	.	S	Bend	trans	-103.3	6.1	-177	-63.3	-67.9	-57.7	0	0	112.3	L319 T321 D349	L319-Q324 PolarHBondContact O-NE2 3Å; T321-Q324 PolarHBondContact O-NE2 2.73Å; Q324-D349 HydrophobicContact CB-CB 4.35Å; Q324-D349 PolarHBondContact N-OD2 3.31Å
325	N	95.6	Very high	88.9	Confident	68 Å²	68	62 Å²	62	36%	0.364	32%	0.317	S	S	.	.	S	Bend	trans	-158.5	175.4	173.1	-153.8	-29.7	0	0	0	108.9	C267 I327 I348 D349	C267-N325 VanDerWaalsContact SG-CA 3.56Å; C267-N325 PolarHBondContact SG-O 3.17Å; N325-I327 PolarHBondContact O-N 2.97Å; N325-I348 HydrophobicContact CB-CB 4.08Å; N325-I348 HydrophobicContact CB-CG2 4.48Å; N325-D349 HydrophobicContact CB-CB 3.84Å
326	S	97.7	Very high	91.1	Very high	11 Å²	11	57.4 Å²	57.4	8%	0.077	31%	0.306	C	S	.	.			trans	-52.6	134.1	-172.2	-53.4	0	0	0	0	112.1	G264 H265 G347 I348	G264-S326 WeakPolarHBondContact O-CA 3.35Å; H265-S326 PolarHBondContact ND1-OG 3.18Å; S326-G347 VanDerWaalsContact O-CA 3.24Å; S326-G347 WeakPolarHBondContact O-CA 3.38Å; S326-I348 PolarHBondContact O-N 2.92Å
327	I	98.5	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.8	172.2	-64.5	168.5	0	0	0	107.9	A263 G264 H323 N325 T345 T346	A263-I327 HydrophobicContact CB-CB 3.75Å; A263-I327 HydrophobicContact CB-CD1 3.87Å; A263-I327 HydrophobicContact CB-CG1 4.42Å; A263-I327 HydrophobicContact CB-CG2 3.53Å; G264-I327 WeakPolarHBondContact CA-O 3.37Å; G264-I327 PolarHBondContact O-N 3.34Å; H323-I327 HydrophobicContact CB-CD1 4.28Å; H323-I327 HydrophobicContact CB-CG1 3.97Å; N325-I327 PolarHBondContact O-N 2.97Å; I327-T345 HydrophobicContact CG2-CG2 4.05Å; I327-T346 WeakPolarHBondContact CG2-O 3.23Å
328	T	97.5	Very high	94.2	Very high	38 Å²	38	55.4 Å²	55.4	23%	0.233	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-25.8	-174.4	49.3	0	0	0	0	112.8	I11 T346 I348	I11-T328 PolarHBondContact O-OG1 2.94Å; T328-T346 PolarHBondContact N-O 3.31Å; T328-T346 PolarHBondContact OG1-O 3.32Å; T328-I348 HydrophobicContact CG2-CD1 4.11Å; T328-I348 HydrophobicContact CG2-CG1 3.53Å
329	Q	98.5	Very high	94.7	Very high	21 Å²	21	53 Å²	53	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	129.6	-176.8	-166.8	176.5	-20.7	0	0	111.9	C13 H14 T345 T346	C13-Q329 VanDerWaalsContact CA-OE1 3.28Å; H14-Q329 VanDerWaalsContact CE1-CD 3.45Å; H14-Q329 PolarHBondContact ND1-OE1 3.19Å; H14-Q329 PolarHBondContact O-NE2 3.03Å; Q329-T345 VanDerWaalsContact O-CA 3.28Å; Q329-T345 WeakPolarHBondContact O-CA 3.23Å; Q329-T346 PolarHBondContact N-O 2.87Å; Q329-T346 PolarHBondContact O-N 3.43Å
330	V	98.5	Very high	95.2	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.7	167.5	179.2	0	0	0	0	107.8	S251 V261 A263 F343 C344 T345	S251-V330 PolarHBondContact OG-N 3.37Å; V261-V330 HydrophobicContact CB-CG1 4.47Å; V261-V330 HydrophobicContact CG1-CG1 4.13Å; A263-V330 HydrophobicContact CB-CG2 3.75Å; V330-F343 HydrophobicContact CG1-CD2 4.15Å; V330-C344 CarbonylContact C-O 3.51Å; V330-C344 WeakPolarHBondContact CA-O 3.46Å; V330-T345 HydrophobicContact CG2-CG2 4.1Å
331	S	97.9	Very high	95.5	Very high	20 Å²	20	47.5 Å²	47.5	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	150.6	178.9	60.5	0	0	0	0	112	H14 Y333 F343 C344	H14-S331 PolarHBondContact CE1-OG 3.43Å; H14-S331 PolarHBondContact NE2-OG 3.14Å; S331-Y333 PolarHBondContact O-N 3.25Å; S331-F343 CarbonylContact O-C 3.6Å; S331-F343 WeakPolarHBondContact O-CA 3.5Å; S331-F343 WeakPolarHBondContact O-CB 3.42Å; S331-C344 PolarHBondContact N-O 3.14Å; S331-C344 PolarHBondContact O-N 3.33Å; S331-C344 WeakPolarHBondContact OG-CB 3.28Å; S331-C344 PolarHBondContact OG-O 3.36Å
332	I	97.5	Very high	95.8	Very high	20 Å²	20	48.9 Å²	48.9	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.9	173.7	-54	-58.9	0	0	0	109.8	R20 F254 V255 K337 C340	R20-I332 PolarHBondContact NH2-O 3.19Å; F254-I332 WeakPolarHBondContact O-CD1 3.23Å; V255-I332 HydrophobicContact CG1-CD1 4.03Å; I332-K337 HydrophobicContact CD1-CG 4.35Å; I332-K337 HydrophobicContact CG1-CG 3.9Å; I332-C340 HydrophobicContact CD1-CB 3.98Å; I332-C340 HydrophobicContact CG2-CB 4.47Å
333	Y	96.8	Very high	96	Very high	31 Å²	31	46.4 Å²	46.4	12%	0.122	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-50.1	179	-175.5	-91.5	0	0	0	110.9	W16 R20 S331 K342 C344 I354	W16-Y333 HydrophobicContact CD2-CD2 4.18Å; W16-Y333 HydrophobicContact CD2-CE2 4.13Å; W16-Y333 AromaticContact CE2-CD2 3.79Å; W16-Y333 AromaticContact CE2-CE2 3.89Å; W16-Y333 HydrophobicContact CE3-CE2 4.07Å; W16-Y333 HydrophobicContact CH2-CD2 4.3Å; W16-Y333 AromaticContact CH2-CE2 3.59Å; W16-Y333 HydrophobicContact CH2-CE2 3.59Å; W16-Y333 AromaticContact CZ2-CD2 3.85Å; W16-Y333 HydrophobicContact CZ2-CD2 3.85Å; W16-Y333 AromaticContact CZ2-CE2 3.62Å; W16-Y333 HydrophobicContact CZ2-CE2 3.62Å; W16-Y333 AromaticContact CZ3-CE2 3.81Å; W16-Y333 HydrophobicContact CZ3-CE2 3.81Å; R20-Y333 HydrophobicContact CB-CD2 4.44Å; R20-Y333 HydrophobicContact CB-CE1 4.34Å; R20-Y333 HydrophobicContact CB-CE2 3.83Å; R20-Y333 WeakPolarHBondContact CD-O 3.36Å; R20-Y333 HydrophobicContact CG-CD2 4.45Å; R20-Y333 HydrophobicContact CG-CE2 4.31Å; R20-Y333 VanDerWaalsContact CG-O 3.26Å; R20-Y333 WeakPolarHBondContact CG-O 3.41Å; R20-Y333 PolarHBondContact NE-O 2.88Å; S331-Y333 PolarHBondContact O-N 3.25Å; Y333-K342 WeakPolarHBondContact CA-O 3.47Å; Y333-K342 WeakPolarHBondContact CB-O 3.25Å; Y333-K342 HydrophobicContact CD1-CB 3.86Å; Y333-K342 HydrophobicContact CD1-CD 4.19Å; Y333-K342 HydrophobicContact CE1-CD 4.46Å; Y333-K342 HydrophobicContact CG-CB 4.41Å; Y333-K342 PolarHBondContact N-O 2.79Å; Y333-C344 HydrophobicContact CD2-CB 4.3Å; Y333-I354 HydrophobicContact CD1-CG2 4.08Å; Y333-I354 HydrophobicContact CD2-CD1 4.23Å; Y333-I354 HydrophobicContact CD2-CG1 4.34Å; Y333-I354 HydrophobicContact CE1-CD1 4.3Å; Y333-I354 HydrophobicContact CE1-CG2 4.31Å; Y333-I354 HydrophobicContact CE2-CD1 3.62Å; Y333-I354 HydrophobicContact CE2-CG1 4.21Å; Y333-I354 HydrophobicContact CG-CG2 4.24Å
334	E	95.2	Very high	96.2	Very high	61 Å²	61	46.4 Å²	46.4	29%	0.285	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.9	-175.7	-164.2	179.2	125.4	0	0	112.2	R341 K342	E334-R341 HydrophobicContact CB-CB 4.37Å; E334-R341 HydrophobicContact CG-CB 4.47Å; E334-R341 PolarHBondContact O-N 2.91Å; E334-K342 HydrophobicContact CB-CB 3.81Å; E334-K342 HydrophobicContact CB-CG 4.1Å; E334-K342 PolarHBondContact N-O 2.86Å; E334-K342 WeakPolarHBondContact OE2-CD 3.46Å; E334-K342 WeakPolarHBondContact OE2-CE 2.99Å; E334-K342 IonicContact OE2-NZ 2.71Å; E334-K342 PolarHBondContact OE2-NZ 2.84Å
335	I	92.1	Very high	96.4	Very high	82 Å²	82	42.9 Å²	42.9	42%	0.421	20%	0.2	S	C	.	.	S	Bend	trans	73.3	-108.6	-173.9	-47.6	-165.4	0	0	0	112.7	D339 R341	I335-D339 VanDerWaalsContact CB-O 3.3Å; I335-D339 WeakPolarHBondContact CB-O 3.43Å; I335-D339 WeakPolarHBondContact CD1-O 3.33Å; I335-D339 HydrophobicContact CG2-CB 4.3Å; I335-R341 VanDerWaalsContact CD1-CD 3.5Å; I335-R341 HydrophobicContact CD1-CG 3.77Å; I335-R341 HydrophobicContact CG1-CG 4.28Å
336	D	93.6	Very high	96.5	Very high	78 Å²	78	39.6 Å²	39.6	42%	0.417	18%	0.183	S	C	.	.			trans	-166.9	-172.5	-176.9	60	32.3	0	0	0	109.6	R338 D339 C340	D336-R338 PolarHBondContact O-N 2.8Å; D336-R338 WeakPolarHBondContact OD1-CA 3.38Å; D336-R338 WeakPolarHBondContact OD1-CB 3.49Å; D336-R338 PolarHBondContact OD1-N 2.95Å; D336-D339 PolarHBondContact OD1-N 3.18Å; D336-C340 WeakPolarHBondContact O-CA 3.39Å; D336-C340 VanDerWaalsContact O-CB 3.27Å; D336-C340 WeakPolarHBondContact O-CB 3.42Å; D336-C340 PolarHBondContact O-N 2.88Å; D336-C340 VanDerWaalsContact O-N 3.1Å
337	K	94.7	Very high	96.5	Very high	44 Å²	44	39.1 Å²	39.1	19%	0.191	18%	0.179	C	C	.	.	S	Bend	trans	-70.5	-8.3	179.9	-62.8	-175.8	-176.9	-178.5	0	113.7	D149 S211 F212 A214 F254 V255 S256 I332	D149-K337 IonicContact OD1-NZ 3.34Å; D149-K337 PolarHBondContact OD1-NZ 2.72Å; D149-K337 IonicContact OD2-NZ 3.36Å; D149-K337 PolarHBondContact OD2-NZ 2.75Å; S211-K337 PolarHBondContact OG-NZ 3.17Å; F212-K337 WeakPolarHBondContact O-CD 3.2Å; F212-K337 PolarHBondContact O-NZ 2.92Å; A214-K337 HydrophobicContact CB-CB 3.96Å; F254-K337 HydrophobicContact CB-CB 4.42Å; F254-K337 HydrophobicContact CB-CD 4.42Å; V255-K337 CarbonylContact C-O 3.57Å; S256-K337 CarbonylContact C-O 3.55Å; S256-K337 WeakPolarHBondContact CA-O 3.35Å; S256-K337 PolarHBondContact N-O 2.64Å; I332-K337 HydrophobicContact CD1-CG 4.35Å; I332-K337 HydrophobicContact CG1-CG 3.9Å
338	R	94.5	Very high	96.4	Very high	180 Å²	180	41.9 Å²	41.9	68%	0.679	19%	0.193	S	C	*	.	S	Bend	trans	-86.3	-43	-177.8	-164.7	-178.9	-142.2	174.4	5.1	111.6	A214 D336	A214-R338 HydrophobicContact CB-CB 3.74Å; A214-R338 HydrophobicContact CB-CG 4.37Å; D336-R338 PolarHBondContact O-N 2.8Å; D336-R338 WeakPolarHBondContact OD1-CA 3.38Å; D336-R338 WeakPolarHBondContact OD1-CB 3.49Å; D336-R338 PolarHBondContact OD1-N 2.95Å
339	D	92.6	Very high	96.2	Very high	46 Å²	46	40.9 Å²	40.9	25%	0.246	19%	0.187	C	C	.	.	S	Bend	trans	-138.9	57	-179.2	-178.3	31.7	0	0	0	110	I335 D336 R341	I335-D339 VanDerWaalsContact CB-O 3.3Å; I335-D339 WeakPolarHBondContact CB-O 3.43Å; I335-D339 WeakPolarHBondContact CD1-O 3.33Å; I335-D339 HydrophobicContact CG2-CB 4.3Å; D336-D339 PolarHBondContact OD1-N 3.18Å; D339-R341 PolarHBondContact O-N 2.62Å; D339-R341 IonicContact OD2-NE 3.54Å; D339-R341 IonicContact OD2-NH2 2.74Å
340	C	95.8	Very high	96.1	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.047	18%	0.182	C	C	.	.			trans	-64.8	122.4	-178	176.2	0	0	0	0	109.8	V255 I332 D336 K342 F357	V255-C340 HydrophobicContact CB-CB 3.8Å; V255-C340 HydrophobicContact CG1-CB 4.2Å; V255-C340 WeakPolarHBondContact O-CB 3.44Å; V255-C340 PolarHBondContact O-N 3.44Å; V255-C340 VanDerWaalsContact O-N 3.07Å; I332-C340 HydrophobicContact CD1-CB 3.98Å; I332-C340 HydrophobicContact CG2-CB 4.47Å; D336-C340 WeakPolarHBondContact O-CA 3.39Å; D336-C340 VanDerWaalsContact O-CB 3.27Å; D336-C340 WeakPolarHBondContact O-CB 3.42Å; D336-C340 PolarHBondContact O-N 2.88Å; D336-C340 VanDerWaalsContact O-N 3.1Å; C340-K342 PolarHBondContact SG-O 2.89Å; C340-F357 HydrophobicContact CB-CE2 4.31Å; C340-F357 WeakPolarHBondContact O-CD2 3.08Å
341	R	95.9	Very high	95.9	Very high	129 Å²	129	39.4 Å²	39.4	49%	0.487	18%	0.179	S	C	.	.			trans	-96.1	-33.3	175.2	-69.3	-176.9	-176.3	174.2	5.9	113.4	E334 I335 D339 F357	E334-R341 HydrophobicContact CB-CB 4.37Å; E334-R341 HydrophobicContact CG-CB 4.47Å; E334-R341 PolarHBondContact O-N 2.91Å; I335-R341 VanDerWaalsContact CD1-CD 3.5Å; I335-R341 HydrophobicContact CD1-CG 3.77Å; I335-R341 HydrophobicContact CG1-CG 4.28Å; D339-R341 PolarHBondContact O-N 2.62Å; D339-R341 IonicContact OD2-NE 3.54Å; D339-R341 IonicContact OD2-NH2 2.74Å; R341-F357 PolarHBondContact O-N 2.73Å
342	K	97.3	Very high	95.9	Very high	53 Å²	53	38.5 Å²	38.5	23%	0.23	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.2	178.8	-58.7	-171.3	-178.1	127.2	0	110.4	Y333 E334 C340 I354 W355 D356	Y333-K342 WeakPolarHBondContact CA-O 3.47Å; Y333-K342 WeakPolarHBondContact CB-O 3.25Å; Y333-K342 HydrophobicContact CD1-CB 3.86Å; Y333-K342 HydrophobicContact CD1-CD 4.19Å; Y333-K342 HydrophobicContact CE1-CD 4.46Å; Y333-K342 HydrophobicContact CG-CB 4.41Å; Y333-K342 PolarHBondContact N-O 2.79Å; E334-K342 HydrophobicContact CB-CB 3.81Å; E334-K342 HydrophobicContact CB-CG 4.1Å; E334-K342 PolarHBondContact N-O 2.86Å; E334-K342 WeakPolarHBondContact OE2-CD 3.46Å; E334-K342 WeakPolarHBondContact OE2-CE 2.99Å; E334-K342 IonicContact OE2-NZ 2.71Å; E334-K342 PolarHBondContact OE2-NZ 2.84Å; C340-K342 PolarHBondContact SG-O 2.89Å; K342-I354 HydrophobicContact CB-CG2 4.3Å; K342-I354 HydrophobicContact CD-CG2 4.17Å; K342-W355 CarbonylContact C-O 3.56Å; K342-W355 WeakPolarHBondContact CA-O 3.41Å; K342-W355 VanDerWaalsContact CB-O 3.25Å; K342-W355 WeakPolarHBondContact CB-O 3.31Å; K342-D356 HydrophobicContact CD-CB 4.34Å; K342-D356 WeakPolarHBondContact CE-OD2 3.33Å; K342-D356 HydrophobicContact CG-CB 4.14Å
343	F	97.9	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	161.1	171.9	69.5	-86.8	0	0	0	110.3	V261 P269 L286 V330 S331 T345 W355 F357 L360	V261-F343 HydrophobicContact CG1-CD2 4.23Å; V261-F343 HydrophobicContact CG1-CE2 3.81Å; V261-F343 HydrophobicContact CG1-CZ 4Å; V261-F343 HydrophobicContact CG2-CE1 4.3Å; V261-F343 HydrophobicContact CG2-CZ 4.47Å; P269-F343 HydrophobicContact CB-CE2 3.94Å; P269-F343 HydrophobicContact CB-CZ 4.1Å; P269-F343 HydrophobicContact CG-CE2 4.25Å; P269-F343 HydrophobicContact CG-CZ 4.27Å; L286-F343 HydrophobicContact CD1-CE1 3.93Å; L286-F343 HydrophobicContact CD1-CZ 3.67Å; V330-F343 HydrophobicContact CG1-CD2 4.15Å; S331-F343 CarbonylContact O-C 3.6Å; S331-F343 WeakPolarHBondContact O-CA 3.5Å; S331-F343 WeakPolarHBondContact O-CB 3.42Å; F343-T345 HydrophobicContact CD2-CG2 4.08Å; F343-T345 HydrophobicContact CE2-CG2 3.88Å; F343-W355 HydrophobicContact CD1-CB 3.68Å; F343-W355 HydrophobicContact CD1-CG 4.4Å; F343-W355 HydrophobicContact CD2-CB 4.06Å; F343-W355 AromaticContact CD2-CD1 3.53Å; F343-W355 AromaticContact CD2-CG 3.95Å; F343-W355 HydrophobicContact CD2-CG 3.95Å; F343-W355 HydrophobicContact CE1-CB 3.27Å; F343-W355 AromaticContact CE1-CG 3.86Å; F343-W355 HydrophobicContact CE1-CG 3.86Å; F343-W355 HydrophobicContact CE2-CB 3.7Å; F343-W355 AromaticContact CE2-CD1 3.18Å; F343-W355 AromaticContact CE2-CD2 4Å; F343-W355 HydrophobicContact CE2-CD2 4Å; F343-W355 AromaticContact CE2-CG 3.35Å; F343-W355 HydrophobicContact CE2-CG 3.35Å; F343-W355 AromaticContact CE2-NE1 3.76Å; F343-W355 HydrophobicContact CG-CB 4.06Å; F343-W355 HydrophobicContact CG-CG 4.44Å; F343-W355 HydrophobicContact CZ-CB 3.28Å; F343-W355 AromaticContact CZ-CD1 3.68Å; F343-W355 AromaticContact CZ-CD2 3.84Å; F343-W355 HydrophobicContact CZ-CD2 3.84Å; F343-W355 HydrophobicContact CZ-CE3 4.41Å; F343-W355 AromaticContact CZ-CG 3.29Å; F343-W355 HydrophobicContact CZ-CG 3.29Å; F343-W355 PolarHBondContact N-O 3.38Å; F343-W355 VanDerWaalsContact N-O 3.1Å; F343-W355 PolarHBondContact O-N 3.25Å; F343-F357 HydrophobicContact CD1-CD1 4.48Å; F343-F357 HydrophobicContact CD1-CD2 4.44Å; F343-F357 AromaticContact CD1-CE1 3.83Å; F343-F357 HydrophobicContact CD1-CE1 3.83Å; F343-F357 AromaticContact CD1-CE2 3.77Å; F343-F357 HydrophobicContact CD1-CE2 3.77Å; F343-F357 AromaticContact CD1-CZ 3.44Å; F343-F357 HydrophobicContact CD1-CZ 3.44Å; F343-F357 VanDerWaalsContact CD1-CZ 3.44Å; F343-F357 HydrophobicContact CE1-CD1 4.13Å; F343-F357 AromaticContact CE1-CE1 3.47Å; F343-F357 HydrophobicContact CE1-CE1 3.47Å; F343-F357 VanDerWaalsContact CE1-CE1 3.47Å; F343-F357 HydrophobicContact CE1-CE2 4.28Å; F343-F357 AromaticContact CE1-CZ 3.57Å; F343-F357 HydrophobicContact CE1-CZ 3.57Å; F343-L360 HydrophobicContact CE1-CD1 4.19Å
344	C	98.2	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.6	-177.9	172.5	0	0	0	0	109.6	W16 V330 S331 Y333 M352 T353	W16-C344 PolarHBondContact NE1-SG 2.9Å; W16-C344 VanDerWaalsContact NE1-SG 3.4Å; V330-C344 CarbonylContact C-O 3.51Å; V330-C344 WeakPolarHBondContact CA-O 3.46Å; S331-C344 PolarHBondContact N-O 3.14Å; S331-C344 PolarHBondContact O-N 3.33Å; S331-C344 WeakPolarHBondContact OG-CB 3.28Å; S331-C344 PolarHBondContact OG-O 3.36Å; Y333-C344 HydrophobicContact CD2-CB 4.3Å; C344-M352 VanDerWaalsContact SG-CG 3.54Å; C344-T353 CarbonylContact C-O 3.59Å; C344-T353 VanDerWaalsContact CA-O 3.3Å; C344-T353 WeakPolarHBondContact CA-O 3.28Å
345	T	98.6	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.4	170.8	57.9	0	0	0	0	111.1	H323 I327 Q329 V330 F343 M352 T353 W355	H323-T345 PolarHBondContact NE2-OG1 3.45Å; I327-T345 HydrophobicContact CG2-CG2 4.05Å; Q329-T345 VanDerWaalsContact O-CA 3.28Å; Q329-T345 WeakPolarHBondContact O-CA 3.23Å; V330-T345 HydrophobicContact CG2-CG2 4.1Å; F343-T345 HydrophobicContact CD2-CG2 4.08Å; F343-T345 HydrophobicContact CE2-CG2 3.88Å; T345-M352 CarbonylContact O-C 3.55Å; T345-M352 VanDerWaalsContact O-CA 3.29Å; T345-M352 WeakPolarHBondContact O-CA 3.23Å; T345-T353 PolarHBondContact N-O 2.92Å; T345-T353 PolarHBondContact O-N 2.91Å; T345-W355 PolarHBondContact OG1-NE1 2.77Å
346	T	98.3	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153	168.1	58.8	0	0	0	0	109.9	I11 H14 I327 T328 Q329 A351 M352	I11-T346 HydrophobicContact CD1-CG2 4.34Å; I11-T346 HydrophobicContact CG2-CG2 4.17Å; H14-T346 HydrophobicContact CB-CG2 4.22Å; H14-T346 WeakPolarHBondContact ND1-CG2 3.25Å; H14-T346 PolarHBondContact ND1-OG1 3.12Å; I327-T346 WeakPolarHBondContact CG2-O 3.23Å; T328-T346 PolarHBondContact N-O 3.31Å; T328-T346 PolarHBondContact OG1-O 3.32Å; Q329-T346 PolarHBondContact N-O 2.87Å; Q329-T346 PolarHBondContact O-N 3.43Å; T346-A351 WeakPolarHBondContact CA-O 3.23Å; T346-M352 HydrophobicContact CG2-CB 4.01Å; T346-M352 HydrophobicContact CG2-CG 3.92Å
347	G	96.9	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	176.7	-174.2	0	0	0	0	0	115.3	I11 S326 D349 G350 A351	I11-G347 PolarHBondContact N-O 3.18Å; I11-G347 VanDerWaalsContact N-O 3.08Å; S326-G347 VanDerWaalsContact O-CA 3.24Å; S326-G347 WeakPolarHBondContact O-CA 3.38Å; G347-D349 WeakPolarHBondContact CA-OD1 3.41Å; G347-D349 PolarHBondContact O-N 2.85Å; G347-G350 PolarHBondContact O-N 3.19Å; G347-A351 PolarHBondContact N-O 2.84Å
348	I	95.9	Very high	96	Very high	58 Å²	58	34 Å²	34	30%	0.297	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.2	175.3	-58.1	-175.7	0	0	0	111.3	P10 N325 S326 T328 G350	P10-I348 VanDerWaalsContact CA-O 3.28Å; P10-I348 WeakPolarHBondContact CA-O 3.48Å; P10-I348 HydrophobicContact CB-CB 4.38Å; P10-I348 HydrophobicContact CB-CG2 4.04Å; P10-I348 HydrophobicContact CG-CG2 3.74Å; N325-I348 HydrophobicContact CB-CB 4.08Å; N325-I348 HydrophobicContact CB-CG2 4.48Å; S326-I348 PolarHBondContact O-N 2.92Å; T328-I348 HydrophobicContact CG2-CD1 4.11Å; T328-I348 HydrophobicContact CG2-CG1 3.53Å; I348-G350 PolarHBondContact O-N 3.36Å
349	D	94.5	Very high	95.8	Very high	18 Å²	18	27.9 Å²	27.9	10%	0.096	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	0.1	175.4	61.4	-12.2	0	0	0	114.1	Q5 H323 Q324 N325 G347 A351	Q5-D349 PolarHBondContact NE2-O 3.07Å; H323-D349 WeakPolarHBondContact CA-OD2 3.29Å; H323-D349 WeakPolarHBondContact CB-OD2 3.4Å; H323-D349 IonicContact CE1-OD1 2.99Å; H323-D349 IonicContact CG-OD2 3.08Å; H323-D349 IonicContact ND1-OD1 3.43Å; H323-D349 PolarHBondContact ND1-OD1 2.65Å; H323-D349 VanDerWaalsContact ND1-OD1 3.08Å; H323-D349 IonicContact ND1-OD2 2.65Å; H323-D349 PolarHBondContact ND1-OD2 3.41Å; Q324-D349 HydrophobicContact CB-CB 4.35Å; Q324-D349 PolarHBondContact N-OD2 3.31Å; N325-D349 HydrophobicContact CB-CB 3.84Å; G347-D349 WeakPolarHBondContact CA-OD1 3.41Å; G347-D349 PolarHBondContact O-N 2.85Å; D349-A351 PolarHBondContact O-N 3.48Å; D349-A351 PolarHBondContact OD1-N 3.23Å
350	G	95.1	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	76.6	12.5	179	0	0	0	0	0	114.1	Q5 F6 L7 E9 G347 I348	Q5-G350 VanDerWaalsContact NE2-C 3.33Å; Q5-G350 PolarHBondContact NE2-O 3.12Å; F6-G350 PolarHBondContact N-O 3.19Å; F6-G350 VanDerWaalsContact N-O 3.14Å; L7-G350 PolarHBondContact N-O 2.9Å; E9-G350 WeakPolarHBondContact O-CA 3.38Å; E9-G350 PolarHBondContact O-N 3.04Å; G347-G350 PolarHBondContact O-N 3.19Å; I348-G350 PolarHBondContact O-N 3.36Å
351	A	95.4	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	157.2	-174.6	0	0	0	0	0	112.7	L3 H4 H323 T346 G347 D349	L3-A351 HydrophobicContact CD1-CB 3.66Å; H4-A351 WeakPolarHBondContact O-CA 3.32Å; H323-A351 PolarHBondContact CE1-O 3.18Å; T346-A351 WeakPolarHBondContact CA-O 3.23Å; G347-A351 PolarHBondContact N-O 2.84Å; D349-A351 PolarHBondContact O-N 3.48Å; D349-A351 PolarHBondContact OD1-N 3.23Å
352	M	96.4	Very high	95.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.2	172.9	-179.7	-88.4	-71.5	0	0	109.7	L3 H4 F6 W16 I23 W42 C344 T345 T346 I354	L3-M352 CarbonylContact C-O 3.58Å; L3-M352 WeakPolarHBondContact CA-O 3.35Å; H4-M352 HydrophobicContact CB-CE 4.44Å; H4-M352 PolarHBondContact N-O 3.46Å; H4-M352 PolarHBondContact O-N 2.83Å; F6-M352 HydrophobicContact CD2-CB 3.97Å; F6-M352 HydrophobicContact CE2-CB 3.62Å; F6-M352 HydrophobicContact CE2-CE 3.82Å; F6-M352 HydrophobicContact CE2-CG 4.27Å; F6-M352 HydrophobicContact CZ-CE 4.05Å; W16-M352 HydrophobicContact CH2-CE 4Å; W16-M352 HydrophobicContact CZ2-CE 4.02Å; W16-M352 HydrophobicContact CZ2-SD 4.13Å; I23-M352 HydrophobicContact CD1-CG 4.15Å; W42-M352 HydrophobicContact CZ2-CE 4.14Å; C344-M352 VanDerWaalsContact SG-CG 3.54Å; T345-M352 CarbonylContact O-C 3.55Å; T345-M352 VanDerWaalsContact O-CA 3.29Å; T345-M352 WeakPolarHBondContact O-CA 3.23Å; T346-M352 HydrophobicContact CG2-CB 4.01Å; T346-M352 HydrophobicContact CG2-CG 3.92Å; M352-I354 HydrophobicContact SD-CD1 4.25Å; M352-I354 HydrophobicContact SD-CG1 3.65Å
353	T	96.8	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.3	176.6	-51.1	0	0	0	0	111.1	S2 L3 L322 H323 C344 T345 W355	S2-T353 WeakPolarHBondContact O-CA 3.26Å; L3-T353 WeakPolarHBondContact CD1-OG1 3.36Å; L322-T353 HydrophobicContact CD1-CG2 3.93Å; H323-T353 PolarHBondContact NE2-OG1 3.02Å; H323-T353 VanDerWaalsContact NE2-OG1 3.12Å; C344-T353 CarbonylContact C-O 3.59Å; C344-T353 VanDerWaalsContact CA-O 3.3Å; C344-T353 WeakPolarHBondContact CA-O 3.28Å; T345-T353 PolarHBondContact N-O 2.92Å; T345-T353 PolarHBondContact O-N 2.91Å; T353-W355 HydrophobicContact CG2-CD2 4.03Å; T353-W355 VanDerWaalsContact CG2-CE2 3.44Å; T353-W355 HydrophobicContact CG2-CG 4.42Å; T353-W355 HydrophobicContact CG2-CH2 4.3Å; T353-W355 HydrophobicContact CG2-CZ2 3.59Å; T353-W355 PolarHBondContact O-NE1 3.2Å
354	I	96.5	Very high	94.3	Very high	17 Å²	17	28.2 Å²	28.2	9%	0.087	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126	167.8	-54.9	171	0	0	0	109	M1 S2 Y333 K342 M352	M1-I354 CarbonylContact C-O 3.6Å; M1-I354 VanDerWaalsContact CA-O 3.24Å; M1-I354 WeakPolarHBondContact CA-O 3.32Å; S2-I354 PolarHBondContact N-O 3.28Å; S2-I354 PolarHBondContact O-N 3.24Å; Y333-I354 HydrophobicContact CD1-CG2 4.08Å; Y333-I354 HydrophobicContact CD2-CD1 4.23Å; Y333-I354 HydrophobicContact CD2-CG1 4.34Å; Y333-I354 HydrophobicContact CE1-CD1 4.3Å; Y333-I354 HydrophobicContact CE1-CG2 4.31Å; Y333-I354 HydrophobicContact CE2-CD1 3.62Å; Y333-I354 HydrophobicContact CE2-CG1 4.21Å; Y333-I354 HydrophobicContact CG-CG2 4.24Å; K342-I354 HydrophobicContact CB-CG2 4.3Å; K342-I354 HydrophobicContact CD-CG2 4.17Å; M352-I354 HydrophobicContact SD-CD1 4.25Å; M352-I354 HydrophobicContact SD-CG1 3.65Å
355	W	96.5	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.4	-178.8	-52.5	83.4	0	0	0	109	M1 P269 D287 L322 K342 F343 T345 T353 L360	M1-W355 HydrophobicContact CG-CD2 4.49Å; M1-W355 HydrophobicContact CG-CE3 3.73Å; M1-W355 HydrophobicContact CG-CZ3 4.09Å; M1-W355 HydrophobicContact SD-CE3 3.51Å; M1-W355 VanDerWaalsContact SD-CE3 3.51Å; M1-W355 HydrophobicContact SD-CH2 4.3Å; M1-W355 HydrophobicContact SD-CZ3 3.28Å; M1-W355 WeakPolarHBondContact SD-CZ3 3.29Å; P269-W355 HydrophobicContact CG-CD2 3.98Å; P269-W355 HydrophobicContact CG-CE3 4.01Å; P269-W355 HydrophobicContact CG-CH2 3.55Å; P269-W355 HydrophobicContact CG-CZ2 3.48Å; P269-W355 VanDerWaalsContact CG-CZ2 3.48Å; P269-W355 HydrophobicContact CG-CZ3 3.8Å; D287-W355 HydrophobicContact CB-CH2 3.7Å; D287-W355 HydrophobicContact CB-CZ3 3.85Å; L322-W355 HydrophobicContact CB-CH2 4.5Å; L322-W355 HydrophobicContact CD1-CH2 3.82Å; L322-W355 HydrophobicContact CD1-CZ2 4.39Å; L322-W355 HydrophobicContact CD1-CZ3 4.19Å; K342-W355 CarbonylContact C-O 3.56Å; K342-W355 WeakPolarHBondContact CA-O 3.41Å; K342-W355 VanDerWaalsContact CB-O 3.25Å; K342-W355 WeakPolarHBondContact CB-O 3.31Å; F343-W355 HydrophobicContact CD1-CB 3.68Å; F343-W355 HydrophobicContact CD1-CG 4.4Å; F343-W355 HydrophobicContact CD2-CB 4.06Å; F343-W355 AromaticContact CD2-CD1 3.53Å; F343-W355 AromaticContact CD2-CG 3.95Å; F343-W355 HydrophobicContact CD2-CG 3.95Å; F343-W355 HydrophobicContact CE1-CB 3.27Å; F343-W355 AromaticContact CE1-CG 3.86Å; F343-W355 HydrophobicContact CE1-CG 3.86Å; F343-W355 HydrophobicContact CE2-CB 3.7Å; F343-W355 AromaticContact CE2-CD1 3.18Å; F343-W355 AromaticContact CE2-CD2 4Å; F343-W355 HydrophobicContact CE2-CD2 4Å; F343-W355 AromaticContact CE2-CG 3.35Å; F343-W355 HydrophobicContact CE2-CG 3.35Å; F343-W355 AromaticContact CE2-NE1 3.76Å; F343-W355 HydrophobicContact CG-CB 4.06Å; F343-W355 HydrophobicContact CG-CG 4.44Å; F343-W355 HydrophobicContact CZ-CB 3.28Å; F343-W355 AromaticContact CZ-CD1 3.68Å; F343-W355 AromaticContact CZ-CD2 3.84Å; F343-W355 HydrophobicContact CZ-CD2 3.84Å; F343-W355 HydrophobicContact CZ-CE3 4.41Å; F343-W355 AromaticContact CZ-CG 3.29Å; F343-W355 HydrophobicContact CZ-CG 3.29Å; F343-W355 PolarHBondContact N-O 3.38Å; F343-W355 VanDerWaalsContact N-O 3.1Å; F343-W355 PolarHBondContact O-N 3.25Å; T345-W355 PolarHBondContact OG1-NE1 2.77Å; T353-W355 HydrophobicContact CG2-CD2 4.03Å; T353-W355 VanDerWaalsContact CG2-CE2 3.44Å; T353-W355 HydrophobicContact CG2-CG 4.42Å; T353-W355 HydrophobicContact CG2-CH2 4.3Å; T353-W355 HydrophobicContact CG2-CZ2 3.59Å; T353-W355 PolarHBondContact O-NE1 3.2Å; W355-L360 HydrophobicContact CB-CD1 4.34Å
356	D	95.4	Very high	92.7	Very high	39 Å²	39	41.4 Å²	41.4	21%	0.209	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.2	-177.7	-179.4	-25.5	0	0	0	108.6	K342 K358 T359 L360	K342-D356 HydrophobicContact CD-CB 4.34Å; K342-D356 WeakPolarHBondContact CE-OD2 3.33Å; K342-D356 HydrophobicContact CG-CB 4.14Å; D356-K358 VanDerWaalsContact C-N 3.3Å; D356-K358 PolarHBondContact O-N 2.73Å; D356-K358 WeakPolarHBondContact OD1-CB 3.45Å; D356-K358 PolarHBondContact OD1-N 3.1Å; D356-T359 WeakPolarHBondContact O-CB 3.37Å; D356-T359 PolarHBondContact O-N 3.38Å; D356-T359 VanDerWaalsContact O-N 3.11Å; D356-T359 PolarHBondContact OD1-N 3.31Å; D356-L360 WeakPolarHBondContact O-CG 3.47Å; D356-L360 PolarHBondContact O-N 3.1Å
357	F	94.3	Very high	92.2	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-34.5	-175.3	-73.6	-54.3	0	0	0	113	V255 V261 L286 C340 R341 F343 T359 L360 E361 I369	V255-F357 HydrophobicContact CB-CE2 3.92Å; V255-F357 HydrophobicContact CB-CZ 4Å; V255-F357 HydrophobicContact CG1-CE2 4.05Å; V255-F357 HydrophobicContact CG1-CZ 3.95Å; V255-F357 HydrophobicContact CG2-CE2 4.29Å; V255-F357 HydrophobicContact CG2-CZ 3.97Å; V261-F357 HydrophobicContact CG2-CE1 4.18Å; V261-F357 HydrophobicContact CG2-CZ 3.76Å; L286-F357 HydrophobicContact CD1-CE1 4.16Å; C340-F357 HydrophobicContact CB-CE2 4.31Å; C340-F357 WeakPolarHBondContact O-CD2 3.08Å; R341-F357 PolarHBondContact O-N 2.73Å; F343-F357 HydrophobicContact CD1-CD1 4.48Å; F343-F357 HydrophobicContact CD1-CD2 4.44Å; F343-F357 AromaticContact CD1-CE1 3.83Å; F343-F357 HydrophobicContact CD1-CE1 3.83Å; F343-F357 AromaticContact CD1-CE2 3.77Å; F343-F357 HydrophobicContact CD1-CE2 3.77Å; F343-F357 AromaticContact CD1-CZ 3.44Å; F343-F357 HydrophobicContact CD1-CZ 3.44Å; F343-F357 VanDerWaalsContact CD1-CZ 3.44Å; F343-F357 HydrophobicContact CE1-CD1 4.13Å; F343-F357 AromaticContact CE1-CE1 3.47Å; F343-F357 HydrophobicContact CE1-CE1 3.47Å; F343-F357 VanDerWaalsContact CE1-CE1 3.47Å; F343-F357 HydrophobicContact CE1-CE2 4.28Å; F343-F357 AromaticContact CE1-CZ 3.57Å; F343-F357 HydrophobicContact CE1-CZ 3.57Å; F357-T359 VanDerWaalsContact C-N 3.25Å; F357-T359 PolarHBondContact O-N 3.32Å; F357-L360 HydrophobicContact CD1-CD1 3.77Å; F357-L360 HydrophobicContact CE1-CD1 4.27Å; F357-L360 PolarHBondContact O-N 3.31Å; F357-L360 VanDerWaalsContact O-N 3.09Å; F357-E361 WeakPolarHBondContact O-CB 3.34Å; F357-E361 VanDerWaalsContact O-CG 3.31Å; F357-E361 WeakPolarHBondContact O-CG 3.34Å; F357-E361 PolarHBondContact O-N 3.45Å; F357-I369 HydrophobicContact CB-CD1 3.81Å; F357-I369 HydrophobicContact CD1-CD1 2.95Å; F357-I369 HydrophobicContact CD1-CG1 4.39Å; F357-I369 HydrophobicContact CD2-CD1 4.22Å; F357-I369 HydrophobicContact CE1-CD1 3.31Å; F357-I369 HydrophobicContact CE2-CD1 4.5Å; F357-I369 HydrophobicContact CG-CD1 3.43Å; F357-I369 VanDerWaalsContact CG-CD1 3.43Å; F357-I369 HydrophobicContact CZ-CD1 4.08Å
358	K	92.9	Very high	91.3	Very high	157 Å²	157	51.7 Å²	51.7	68%	0.683	28%	0.275	S	S	*	.	H	α-helix	trans	-60.4	-40.6	174.8	-176.9	-179.4	179.8	178.9	0	111.2	D356 S362	D356-K358 VanDerWaalsContact C-N 3.3Å; D356-K358 PolarHBondContact O-N 2.73Å; D356-K358 WeakPolarHBondContact OD1-CB 3.45Å; D356-K358 PolarHBondContact OD1-N 3.1Å; K358-S362 PolarHBondContact O-N 3.45Å; K358-S362 PolarHBondContact O-OG 3.31Å
359	T	91.3	Very high	90.1	Very high	52 Å²	52	49.6 Å²	49.6	32%	0.319	27%	0.265	S	S	.	.	H	α-helix	trans	-68.5	-41.5	175.5	-56.9	0	0	0	0	111.1	D356 F357 S362 S363	D356-T359 WeakPolarHBondContact O-CB 3.37Å; D356-T359 PolarHBondContact O-N 3.38Å; D356-T359 VanDerWaalsContact O-N 3.11Å; D356-T359 PolarHBondContact OD1-N 3.31Å; F357-T359 VanDerWaalsContact C-N 3.25Å; F357-T359 PolarHBondContact O-N 3.32Å; T359-S362 PolarHBondContact O-N 2.8Å; T359-S363 PolarHBondContact O-N 2.8Å; T359-S363 PolarHBondContact O-OG 3.37Å
360	L	92.4	Very high	88.4	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-49.2	-179.8	-69.5	169.6	0	0	0	111.7	M1 L286 F343 W355 D356 F357 S362 S363 I364 L367	M1-L360 HydrophobicContact CG-CD2 4.42Å; M1-L360 HydrophobicContact SD-CD2 4.09Å; L286-L360 HydrophobicContact CB-CD1 4.28Å; L286-L360 HydrophobicContact CB-CD2 4.43Å; L286-L360 HydrophobicContact CD1-CD1 4.36Å; L286-L360 HydrophobicContact CD2-CD1 4.38Å; L286-L360 WeakPolarHBondContact O-CD2 3.17Å; F343-L360 HydrophobicContact CE1-CD1 4.19Å; W355-L360 HydrophobicContact CB-CD1 4.34Å; D356-L360 WeakPolarHBondContact O-CG 3.47Å; D356-L360 PolarHBondContact O-N 3.1Å; F357-L360 HydrophobicContact CD1-CD1 3.77Å; F357-L360 HydrophobicContact CE1-CD1 4.27Å; F357-L360 PolarHBondContact O-N 3.31Å; F357-L360 VanDerWaalsContact O-N 3.09Å; L360-S362 PolarHBondContact O-N 3.29Å; L360-S363 WeakPolarHBondContact CA-OG 3.31Å; L360-S363 CarbonylContact O-C 3.6Å; L360-S363 WeakPolarHBondContact O-CA 3.31Å; L360-S363 PolarHBondContact O-N 3.23Å; L360-S363 PolarHBondContact O-OG 3.21Å; L360-I364 HydrophobicContact CD2-CD1 4.36Å; L360-I364 WeakPolarHBondContact O-CG1 3.15Å; L360-I364 PolarHBondContact O-N 3.37Å; L360-L367 HydrophobicContact CB-CD2 4.03Å
361	E	91.3	Very high	88	Confident	70 Å²	70	60.9 Å²	60.9	33%	0.327	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-35.2	176.6	-70.7	178.1	148.5	0	0	112.2	F357 S363 L367 I369	F357-E361 WeakPolarHBondContact O-CB 3.34Å; F357-E361 VanDerWaalsContact O-CG 3.31Å; F357-E361 WeakPolarHBondContact O-CG 3.34Å; F357-E361 PolarHBondContact O-N 3.45Å; E361-S363 VanDerWaalsContact C-N 3.3Å; E361-S363 PolarHBondContact O-N 2.88Å; E361-L367 HydrophobicContact CG-CD2 4.36Å; E361-L367 HydrophobicContact CG-CG 4.34Å; E361-I369 HydrophobicContact CG-CD1 4.48Å; E361-I369 PolarHBondContact OE1-N 2.7Å
362	S	88.6	Confident	87.6	Confident	105 Å²	105	64.1 Å²	64.1	73%	0.734	34%	0.338	S	S	*	.	H	α-helix	trans	-71.9	-24	174.9	-57	0	0	0	0	113.1	K358 T359 L360	K358-S362 PolarHBondContact O-N 3.45Å; K358-S362 PolarHBondContact O-OG 3.31Å; T359-S362 PolarHBondContact O-N 2.8Å; L360-S362 PolarHBondContact O-N 3.29Å
363	S	86.3	Confident	87.2	Confident	56 Å²	56	67.6 Å²	67.6	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-101.1	-20.6	-175.4	64.9	0	0	0	0	114.6	T359 L360 E361	T359-S363 PolarHBondContact O-N 2.8Å; T359-S363 PolarHBondContact O-OG 3.37Å; L360-S363 WeakPolarHBondContact CA-OG 3.31Å; L360-S363 CarbonylContact O-C 3.6Å; L360-S363 WeakPolarHBondContact O-CA 3.31Å; L360-S363 PolarHBondContact O-N 3.23Å; L360-S363 PolarHBondContact O-OG 3.21Å; E361-S363 VanDerWaalsContact C-N 3.3Å; E361-S363 PolarHBondContact O-N 2.88Å
364	I	88	Confident	86.6	Confident	12 Å²	12	71.5 Å²	71.5	6%	0.062	38%	0.377	C	S	.	.	S	Bend	trans	-114.4	107.6	-175.7	-52.6	-171.9	0	0	0	107.9	L286 I288 L360 G366 L367	L286-I364 HydrophobicContact CD2-CD1 4.26Å; I288-I364 HydrophobicContact CD1-CB 4.22Å; I288-I364 HydrophobicContact CD1-CD1 3.68Å; I288-I364 HydrophobicContact CD1-CG1 3.53Å; I288-I364 HydrophobicContact CD1-CG2 3.98Å; I288-I364 HydrophobicContact CG1-CD1 3.89Å; I288-I364 HydrophobicContact CG1-CG1 4.13Å; L360-I364 HydrophobicContact CD2-CD1 4.36Å; L360-I364 WeakPolarHBondContact O-CG1 3.15Å; L360-I364 PolarHBondContact O-N 3.37Å; I364-G366 PolarHBondContact O-N 3.06Å; I364-L367 HydrophobicContact CB-CB 3.83Å; I364-L367 HydrophobicContact CB-CD2 3.96Å; I364-L367 HydrophobicContact CD1-CD2 3.98Å; I364-L367 HydrophobicContact CG1-CD2 4.29Å; I364-L367 HydrophobicContact CG2-CB 3.89Å; I364-L367 HydrophobicContact CG2-CD2 4.42Å; I364-L367 WeakPolarHBondContact O-CB 3.2Å; I364-L367 PolarHBondContact O-N 3.17Å; I364-L367 VanDerWaalsContact O-N 3.15Å
365	Q	83.9	Confident	86	Confident	202 Å²	202	74.9 Å²	74.9	94%	0.944	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	127.3	-177.9	-172.8	176.8	6.1	0	0	110.9	L367	Q365-L367 VanDerWaalsContact C-N 3.29Å; Q365-L367 PolarHBondContact O-N 2.87Å
366	G	80.4	Confident	85.3	Confident	74 Å²	74	79.9 Å²	79.9	76%	0.763	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-1.5	178	0	0	0	0	0	115.2	I364 R368	I364-G366 PolarHBondContact O-N 3.06Å; G366-R368 PolarHBondContact O-N 2.79Å
367	L	87.3	Confident	84.5	Confident	9 Å²	9	82.9 Å²	82.9	5%	0.047	44%	0.437	C	S	.	.			trans	-71.8	123.9	174.3	-173.7	69.3	0	0	0	110.5	L271 I283 L286 L360 E361 I364 Q365	L271-L367 HydrophobicContact CD2-CD1 3.5Å; L271-L367 VanDerWaalsContact CD2-CD1 3.5Å; I283-L367 HydrophobicContact CG2-CD1 3.85Å; L286-L367 HydrophobicContact CD2-CD2 4.06Å; L360-L367 HydrophobicContact CB-CD2 4.03Å; E361-L367 HydrophobicContact CG-CD2 4.36Å; E361-L367 HydrophobicContact CG-CG 4.34Å; I364-L367 HydrophobicContact CB-CB 3.83Å; I364-L367 HydrophobicContact CB-CD2 3.96Å; I364-L367 HydrophobicContact CD1-CD2 3.98Å; I364-L367 HydrophobicContact CG1-CD2 4.29Å; I364-L367 HydrophobicContact CG2-CB 3.89Å; I364-L367 HydrophobicContact CG2-CD2 4.42Å; I364-L367 WeakPolarHBondContact O-CB 3.2Å; I364-L367 PolarHBondContact O-N 3.17Å; I364-L367 VanDerWaalsContact O-N 3.15Å; Q365-L367 VanDerWaalsContact C-N 3.29Å; Q365-L367 PolarHBondContact O-N 2.87Å
368	R	77.1	Confident	83.8	Confident	208 Å²	208	88.6 Å²	88.6	79%	0.785	47%	0.468	S	S	*	.			trans	-139.1	130.1	169.4	-62.8	-169.5	-177.1	-165.3	1.7	109.5	G366	G366-R368 PolarHBondContact O-N 2.79Å
369	I	71.1	Confident	83	Confident	14 Å²	14	82.9 Å²	82.9	7%	0.072	45%	0.45	C	S	.	.			trans	-103.3	-16.9	-178.1	-67	159.4	0	0	0	111.8	V255 L271 F357 E361	V255-I369 HydrophobicContact CG2-CG2 4.5Å; L271-I369 HydrophobicContact CD2-CD1 4.3Å; L271-I369 HydrophobicContact CD2-CG1 3.73Å; F357-I369 HydrophobicContact CB-CD1 3.81Å; F357-I369 HydrophobicContact CD1-CD1 2.95Å; F357-I369 HydrophobicContact CD1-CG1 4.39Å; F357-I369 HydrophobicContact CD2-CD1 4.22Å; F357-I369 HydrophobicContact CE1-CD1 3.31Å; F357-I369 HydrophobicContact CE2-CD1 4.5Å; F357-I369 HydrophobicContact CG-CD1 3.43Å; F357-I369 VanDerWaalsContact CG-CD1 3.43Å; F357-I369 HydrophobicContact CZ-CD1 4.08Å; E361-I369 HydrophobicContact CG-CD1 4.48Å; E361-I369 PolarHBondContact OE1-N 2.7Å
370	M	58.8	Low	82.3	Confident	193 Å²	193	85.7 Å²	85.7	95%	0.951	46%	0.461	S	S	*	.			trans	-119.1	0	172.6	-72.8	-172.2	-87.7	0	0	112

Retrieved 370 of 370 residues in 116.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).