G4LVB5_SCHMA Loading...

N-acetylglucosamine-6-phosphate deacetylase

AlphaFold DB , UniProt , Accession G4LVB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 454 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.8	Very low	72.4	Confident	206 Å²	206	89.3 Å²	89.3	100%	1.015	48%	0.484	S	S	*	.				0	120.2	0	-86.7	-173.7	-104.6	0	0	106.3	G3	M1-G3 PolarHBondContact O-N 3.31Å; M1-G3 VanDerWaalsContact O-N 3.09Å
2	D	51.3	Low	74.1	Confident	131 Å²	131	88.6 Å²	88.6	70%	0.701	47%	0.473	S	S	*	.			trans	-58.8	111.3	165.4	-71.9	-41.5	0	0	0	107.2	T6	D2-T6 WeakPolarHBondContact CA-OG1 3.27Å; D2-T6 WeakPolarHBondContact CB-OG1 3.26Å
3	G	64	Low	75.6	Confident	19 Å²	19	82.4 Å²	82.4	20%	0.196	44%	0.44	C	S	.	.			trans	-67.9	158.7	177.8	0	0	0	0	0	110.1	M1 F5 T6	M1-G3 PolarHBondContact O-N 3.31Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-F5 PolarHBondContact O-N 3.26Å; G3-T6 PolarHBondContact N-OG1 2.93Å; G3-T6 PolarHBondContact O-N 3.24Å; G3-T6 PolarHBondContact O-OG1 2.9Å
4	L	68.2	Low	77	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.016	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-52	-29.9	179.8	-100.9	132.2	0	0	0	114.5	T6 L7 I57 W432 P437 F440 Y444 I448 I450	L4-T6 VanDerWaalsContact C-N 3.28Å; L4-T6 PolarHBondContact O-N 3.07Å; L4-L7 HydrophobicContact CD2-CD1 4.16Å; L4-L7 HydrophobicContact CG-CD1 4.27Å; L4-L7 PolarHBondContact O-N 3.1Å; L4-I57 HydrophobicContact CD2-CD1 4.01Å; L4-W432 HydrophobicContact CD2-CH2 3.63Å; L4-W432 HydrophobicContact CD2-CZ2 3.27Å; L4-P437 HydrophobicContact CB-CG 4.12Å; L4-P437 HydrophobicContact CD2-CB 4.43Å; L4-P437 HydrophobicContact CD2-CG 4.08Å; L4-F440 HydrophobicContact CB-CE1 3.74Å; L4-F440 HydrophobicContact CB-CE2 3.64Å; L4-F440 HydrophobicContact CB-CZ 3.08Å; L4-F440 HydrophobicContact CD1-CD1 4.26Å; L4-F440 HydrophobicContact CD1-CE1 3.29Å; L4-F440 HydrophobicContact CD1-CZ 3.61Å; L4-F440 HydrophobicContact CD2-CE1 4.26Å; L4-F440 HydrophobicContact CD2-CZ 3.89Å; L4-F440 HydrophobicContact CG-CE1 3.91Å; L4-F440 HydrophobicContact CG-CZ 3.66Å; L4-Y444 HydrophobicContact CD1-CD2 4.22Å; L4-Y444 HydrophobicContact CD1-CE2 3.58Å; L4-I448 HydrophobicContact CD1-CG2 4.33Å; L4-I450 HydrophobicContact CB-CD1 4.31Å; L4-I450 HydrophobicContact CD1-CD1 3.72Å; L4-I450 HydrophobicContact CD1-CG1 4.01Å; L4-I450 HydrophobicContact CG-CD1 3.54Å; L4-I450 HydrophobicContact CG-CG1 4.12Å
5	F	69.9	Low	78.2	Confident	129 Å²	129	76.7 Å²	76.7	57%	0.566	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-67.8	-20.7	175.7	-74.1	-63.9	0	0	0	114.7	G3 P437 F440	G3-F5 PolarHBondContact O-N 3.26Å; F5-P437 WeakPolarHBondContact CE1-O 3.47Å; F5-F440 HydrophobicContact CD1-CE2 4.34Å; F5-F440 AromaticContact CD2-CD2 3.82Å; F5-F440 HydrophobicContact CD2-CD2 3.82Å; F5-F440 AromaticContact CD2-CE2 3.85Å; F5-F440 HydrophobicContact CD2-CE2 3.85Å; F5-F440 HydrophobicContact CE1-CD2 4.45Å; F5-F440 HydrophobicContact CE1-CE2 4.14Å; F5-F440 AromaticContact CE2-CD2 3.3Å; F5-F440 HydrophobicContact CE2-CD2 3.3Å; F5-F440 AromaticContact CE2-CE2 3.66Å; F5-F440 HydrophobicContact CE2-CE2 3.66Å; F5-F440 HydrophobicContact CG-CE2 4.2Å; F5-F440 AromaticContact CZ-CD2 3.65Å; F5-F440 HydrophobicContact CZ-CD2 3.65Å; F5-F440 AromaticContact CZ-CE2 3.79Å; F5-F440 HydrophobicContact CZ-CE2 3.79Å
6	T	73.3	Confident	79.4	Confident	88 Å²	88	71.9 Å²	71.9	54%	0.54	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-92.1	-4.5	-178.9	63.9	0	0	0	0	113.1	D2 G3 L4	D2-T6 WeakPolarHBondContact CA-OG1 3.27Å; D2-T6 WeakPolarHBondContact CB-OG1 3.26Å; G3-T6 PolarHBondContact N-OG1 2.93Å; G3-T6 PolarHBondContact O-N 3.24Å; G3-T6 PolarHBondContact O-OG1 2.9Å; L4-T6 VanDerWaalsContact C-N 3.28Å; L4-T6 PolarHBondContact O-N 3.07Å
7	L	74.7	Confident	80.4	Confident	44 Å²	44	70.3 Å²	70.3	23%	0.23	36%	0.364	C	S	.	.			trans	-70.3	130.6	179.9	-64.7	173	0	0	0	111.4	L4 L9 I450	L4-L7 HydrophobicContact CD2-CD1 4.16Å; L4-L7 HydrophobicContact CG-CD1 4.27Å; L4-L7 PolarHBondContact O-N 3.1Å; L7-L9 HydrophobicContact CB-CD2 3.49Å; L7-L9 VanDerWaalsContact CB-CD2 3.49Å; L7-L9 HydrophobicContact CB-CG 4.12Å; L7-L9 HydrophobicContact CD1-CD2 4.14Å; L7-L9 HydrophobicContact CG-CD2 4.46Å; L7-L9 PolarHBondContact O-N 3.12Å; L7-I450 HydrophobicContact CD1-CD1 4.43Å; L7-I450 HydrophobicContact CD1-CG2 4.24Å
8	K	82.7	Confident	81.3	Confident	187 Å²	187	70.2 Å²	70.2	81%	0.813	37%	0.365	S	S	*	.			trans	-79	98.2	167.4	-69.3	-176.4	179.8	179.4	0	109.1	K12	K8-K12 WeakPolarHBondContact O-CG 3.26Å
9	L	89.1	Confident	82.2	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.084	35%	0.346	C	S	.	.			trans	-91.1	-18	-174.1	-57	-176.5	0	0	0	114.6	L7 G11 K12 I14 I55 W432 K436	L7-L9 HydrophobicContact CB-CD2 3.49Å; L7-L9 VanDerWaalsContact CB-CD2 3.49Å; L7-L9 HydrophobicContact CB-CG 4.12Å; L7-L9 HydrophobicContact CD1-CD2 4.14Å; L7-L9 HydrophobicContact CG-CD2 4.46Å; L7-L9 PolarHBondContact O-N 3.12Å; L9-G11 PolarHBondContact O-N 3.38Å; L9-K12 WeakPolarHBondContact O-CB 3.32Å; L9-K12 PolarHBondContact O-N 3.32Å; L9-I14 HydrophobicContact CB-CD1 4.26Å; L9-I14 HydrophobicContact CD1-CD1 4.15Å; L9-I14 HydrophobicContact CD2-CD1 3.71Å; L9-I14 HydrophobicContact CD2-CG1 4.46Å; L9-I14 HydrophobicContact CG-CD1 4.24Å; L9-I55 HydrophobicContact CD2-CD1 3.58Å; L9-W432 HydrophobicContact CD1-CH2 4.29Å; L9-W432 HydrophobicContact CD1-CZ3 3.88Å; L9-K436 HydrophobicContact CD1-CG 4.35Å
10	T	89.5	Confident	83	Confident	114 Å²	114	64.6 Å²	64.6	70%	0.699	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	129.6	-177.7	-55.9	0	0	0	0	111.6	K12 D36	T10-K12 PolarHBondContact O-N 3.14Å; T10-D36 WeakPolarHBondContact CA-OD1 3.22Å
11	G	90.1	Very high	83.7	Confident	45 Å²	45	61.5 Å²	61.5	46%	0.464	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	3.9	-178.1	0	0	0	0	0	114.6	L9 D36	L9-G11 PolarHBondContact O-N 3.38Å; G11-D36 WeakPolarHBondContact CA-OD2 3.3Å; G11-D36 PolarHBondContact N-OD1 3.22Å; G11-D36 PolarHBondContact N-OD2 2.92Å
12	K	92.5	Very high	86.2	Confident	81 Å²	81	51.8 Å²	51.8	35%	0.352	27%	0.27	S	S	.	.			trans	-95.2	138.2	-176.3	-60.7	-50.4	-160	168.3	0	111.6	K8 L9 T10 D54 I55	K8-K12 WeakPolarHBondContact O-CG 3.26Å; L9-K12 WeakPolarHBondContact O-CB 3.32Å; L9-K12 PolarHBondContact O-N 3.32Å; T10-K12 PolarHBondContact O-N 3.14Å; K12-D54 WeakPolarHBondContact CA-OD2 3.25Å; K12-D54 HydrophobicContact CB-CB 4.1Å; K12-D54 HydrophobicContact CD-CB 3.81Å; K12-D54 WeakPolarHBondContact CD-OD1 3.29Å; K12-D54 HydrophobicContact CG-CB 4.38Å; K12-D54 IonicContact NZ-OD1 3.88Å; K12-D54 PolarHBondContact NZ-OD1 2.78Å; K12-I55 HydrophobicContact CB-CD1 4.32Å
13	I	93.9	Very high	88.3	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.041	25%	0.249	C	C	.	.			trans	-84.8	121.7	167.6	-61.1	172.4	0	0	0	107.9	W33 R35 L40 V45 A51 P53 D54 I55	I13-W33 HydrophobicContact CG2-CE3 3.73Å; I13-W33 HydrophobicContact CG2-CZ3 4.05Å; I13-R35 HydrophobicContact CG1-CB 4.48Å; I13-L40 HydrophobicContact CG2-CD1 4.43Å; I13-V45 HydrophobicContact CD1-CG1 4.18Å; I13-V45 HydrophobicContact CG2-CG1 4.46Å; I13-A51 HydrophobicContact CD1-CB 3.59Å; I13-P53 HydrophobicContact CG2-CB 4.35Å; I13-P53 CarbonylContact O-C 3.55Å; I13-D54 PolarHBondContact N-OD2 2.63Å; I13-D54 PolarHBondContact O-N 2.73Å; I13-I55 PolarHBondContact O-N 2.78Å
14	I	95.1	Very high	89.4	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.8	179.3	-49.5	165.5	0	0	0	107.7	L9 F16 W33 I34 I55 I57 W432	L9-I14 HydrophobicContact CB-CD1 4.26Å; L9-I14 HydrophobicContact CD1-CD1 4.15Å; L9-I14 HydrophobicContact CD2-CD1 3.71Å; L9-I14 HydrophobicContact CD2-CG1 4.46Å; L9-I14 HydrophobicContact CG-CD1 4.24Å; I14-F16 HydrophobicContact CB-CE2 4.37Å; I14-F16 HydrophobicContact CG2-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CE2 3.71Å; I14-F16 HydrophobicContact CG2-CZ 3.97Å; I14-W33 WeakPolarHBondContact O-CA 3.24Å; I14-I34 HydrophobicContact CB-CD1 4.48Å; I14-I34 HydrophobicContact CB-CG1 3.83Å; I14-I34 HydrophobicContact CD1-CD1 4.01Å; I14-I34 HydrophobicContact CD1-CG1 4.02Å; I14-I34 HydrophobicContact CG1-CG1 4.34Å; I14-I34 PolarHBondContact N-O 2.9Å; I14-I34 PolarHBondContact O-N 2.9Å; I14-I55 WeakPolarHBondContact CA-O 3.3Å; I14-I55 HydrophobicContact CG1-CB 4.3Å; I14-I55 HydrophobicContact CG1-CD1 4.36Å; I14-I55 HydrophobicContact CG2-CB 4.28Å; I14-I55 HydrophobicContact CG2-CG2 4.21Å; I14-I57 HydrophobicContact CG2-CD1 3.67Å; I14-I57 HydrophobicContact CG2-CG1 4.2Å; I14-W432 HydrophobicContact CD1-CZ3 4.31Å
15	R	95.6	Very high	90.6	Very high	77 Å²	77	57.7 Å²	57.7	29%	0.291	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.9	173.6	175.8	-166	180	-177.2	-4.5	109.9	D31 L32 W33 P53 I55 L56 I57	R15-D31 HydrophobicContact CG-CB 4.38Å; R15-D31 IonicContact CZ-OD2 2.75Å; R15-D31 IonicContact NE-OD2 3.98Å; R15-D31 PolarHBondContact NE-OD2 2.95Å; R15-D31 IonicContact NH2-OD2 2.85Å; R15-D31 PolarHBondContact NH2-OD2 2.91Å; R15-L32 CarbonylContact C-O 3.54Å; R15-L32 WeakPolarHBondContact CA-O 3.4Å; R15-W33 HydrophobicContact CB-CD2 3.98Å; R15-W33 HydrophobicContact CB-CE3 3.87Å; R15-W33 HydrophobicContact CB-CH2 4.23Å; R15-W33 HydrophobicContact CB-CZ2 4.29Å; R15-W33 HydrophobicContact CB-CZ3 4.01Å; R15-W33 HydrophobicContact CG-CD2 3.98Å; R15-W33 HydrophobicContact CG-CE3 4.3Å; R15-W33 HydrophobicContact CG-CH2 4.15Å; R15-W33 HydrophobicContact CG-CZ2 3.76Å; R15-W33 HydrophobicContact CG-CZ3 4.39Å; R15-P53 HydrophobicContact CB-CB 3.65Å; R15-P53 HydrophobicContact CB-CG 4.05Å; R15-I55 PolarHBondContact N-O 2.93Å; R15-L56 HydrophobicContact CB-CD2 4.14Å; R15-L56 HydrophobicContact CG-CD2 4.38Å; R15-I57 PolarHBondContact O-N 2.82Å
16	F	97.2	Very high	91.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.8	167	-57	-100.4	0	0	0	108.1	I14 D31 L32 I34 I57 V59 I64 F410 I412 W432	I14-F16 HydrophobicContact CB-CE2 4.37Å; I14-F16 HydrophobicContact CG2-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CE2 3.71Å; I14-F16 HydrophobicContact CG2-CZ 3.97Å; F16-D31 CarbonylContact O-C 3.44Å; F16-D31 VanDerWaalsContact O-CA 3.23Å; F16-D31 WeakPolarHBondContact O-CA 3.38Å; F16-D31 VanDerWaalsContact O-CB 3.28Å; F16-D31 WeakPolarHBondContact O-CB 3.24Å; F16-L32 HydrophobicContact CB-CB 4.13Å; F16-L32 HydrophobicContact CD2-CB 4.2Å; F16-L32 HydrophobicContact CD2-CD2 4.38Å; F16-L32 PolarHBondContact N-O 2.85Å; F16-L32 PolarHBondContact O-N 3.42Å; F16-I34 HydrophobicContact CE2-CD1 3.73Å; F16-I34 HydrophobicContact CE2-CG1 3.95Å; F16-I34 HydrophobicContact CZ-CD1 4.17Å; F16-I57 WeakPolarHBondContact CA-O 3.36Å; F16-I57 HydrophobicContact CD1-CB 3.76Å; F16-I57 HydrophobicContact CD1-CD1 4.06Å; F16-I57 HydrophobicContact CD1-CG1 4.48Å; F16-I57 HydrophobicContact CD1-CG2 3.72Å; F16-I57 HydrophobicContact CE1-CB 4.05Å; F16-I57 HydrophobicContact CE1-CD1 3.43Å; F16-I57 VanDerWaalsContact CE1-CD1 3.43Å; F16-I57 HydrophobicContact CE1-CG1 4.31Å; F16-I57 HydrophobicContact CE1-CG2 3.97Å; F16-I57 HydrophobicContact CG-CB 4.38Å; F16-I57 HydrophobicContact CZ-CD1 3.71Å; F16-V59 HydrophobicContact CB-CG2 3.98Å; F16-V59 HydrophobicContact CD1-CG2 4.16Å; F16-I64 HydrophobicContact CB-CD1 3.64Å; F16-I64 HydrophobicContact CD1-CD1 4.27Å; F16-I64 HydrophobicContact CG-CD1 4.01Å; F16-F410 HydrophobicContact CD2-CZ 4.49Å; F16-F410 HydrophobicContact CE1-CE2 4.15Å; F16-F410 HydrophobicContact CE1-CZ 4.11Å; F16-F410 HydrophobicContact CE2-CE2 4.49Å; F16-F410 AromaticContact CE2-CZ 3.76Å; F16-F410 HydrophobicContact CE2-CZ 3.76Å; F16-F410 HydrophobicContact CZ-CE2 4.05Å; F16-F410 AromaticContact CZ-CZ 3.54Å; F16-F410 HydrophobicContact CZ-CZ 3.54Å; F16-I412 HydrophobicContact CD1-CD1 4.08Å; F16-I412 HydrophobicContact CE1-CD1 3.99Å; F16-W432 AromaticContact CE1-CE2 3.86Å; F16-W432 HydrophobicContact CE1-CH2 4.16Å; F16-W432 AromaticContact CE1-CZ2 3.57Å; F16-W432 HydrophobicContact CE1-CZ2 3.57Å; F16-W432 HydrophobicContact CZ-CD2 4.21Å; F16-W432 AromaticContact CZ-CE2 3.78Å; F16-W432 HydrophobicContact CZ-CE3 4.28Å; F16-W432 AromaticContact CZ-CH2 3.62Å; F16-W432 HydrophobicContact CZ-CH2 3.62Å; F16-W432 AromaticContact CZ-CZ2 3.48Å; F16-W432 HydrophobicContact CZ-CZ2 3.48Å; F16-W432 VanDerWaalsContact CZ-CZ2 3.48Å; F16-W432 HydrophobicContact CZ-CZ3 4.01Å
17	Y	96.4	Very high	92.9	Very high	44 Å²	44	51.8 Å²	51.8	17%	0.173	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	170	-177.6	73.2	-77.7	0	0	0	111.2	C19 D31 L56 I57 D58 V59 K451	Y17-C19 VanDerWaalsContact C-N 3.31Å; Y17-D31 VanDerWaalsContact CA-OD1 3.3Å; Y17-D31 WeakPolarHBondContact CA-OD1 3.25Å; Y17-D31 WeakPolarHBondContact CB-OD1 3.08Å; Y17-L56 HydrophobicContact CD1-CB 4.49Å; Y17-L56 HydrophobicContact CD1-CD2 4.43Å; Y17-L56 HydrophobicContact CE1-CB 4.01Å; Y17-I57 VanDerWaalsContact CD1-O 3.22Å; Y17-I57 WeakPolarHBondContact CD1-O 3.3Å; Y17-I57 VanDerWaalsContact CE1-C 3.5Å; Y17-I57 PolarHBondContact N-O 2.9Å; Y17-D58 HydrophobicContact CE1-CB 3.79Å; Y17-D58 VanDerWaalsContact CE1-N 3.32Å; Y17-D58 HydrophobicContact CE2-CB 4.15Å; Y17-D58 WeakPolarHBondContact OH-CB 3.4Å; Y17-V59 PolarHBondContact O-N 2.97Å; Y17-K451 PolarHBondContact OH-NZ 3.03Å
18	N	96.6	Very high	93.9	Very high	69 Å²	69	52 Å²	52	37%	0.369	26%	0.257	S	S	.	.	S	Bend	trans	55.4	50.5	-174	-175.4	34	0	0	0	110.2	D58 G61	N18-D58 WeakPolarHBondContact CB-OD1 3.07Å; N18-D58 PolarHBondContact ND2-OD1 2.57Å; N18-G61 PolarHBondContact ND2-N 3.39Å; N18-G61 WeakPolarHBondContact O-CA 3.32Å; N18-G61 PolarHBondContact O-N 3.36Å
19	C	97.4	Very high	94.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	24%	0.244	C	C	.	.			trans	-133.8	169.2	179.7	42.8	0	0	0	0	111.9	Y17 D30 V59 G62 I64	Y17-C19 VanDerWaalsContact C-N 3.31Å; C19-D30 PolarHBondContact SG-O 3.35Å; C19-V59 HydrophobicContact CB-CB 3.77Å; C19-V59 HydrophobicContact CB-CG1 3.88Å; C19-V59 HydrophobicContact CB-CG2 4.04Å; C19-G62 CarbonylContact C-O 3.45Å; C19-G62 VanDerWaalsContact CA-O 3.32Å; C19-G62 WeakPolarHBondContact CA-O 3.32Å; C19-I64 HydrophobicContact CB-CD1 4.17Å; C19-I64 HydrophobicContact CB-CG1 4.11Å
20	Y	98	Very high	94.9	Very high	27 Å²	27	52 Å²	52	11%	0.106	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.9	162.1	-60.6	-93.1	0	0	0	108.4	V28 K29 G62 I63 I64 S354 V355 W359	Y20-V28 CarbonylContact C-O 3.5Å; Y20-V28 VanDerWaalsContact CA-O 3.32Å; Y20-V28 WeakPolarHBondContact CA-O 3.41Å; Y20-K29 HydrophobicContact CD1-CB 4.01Å; Y20-K29 HydrophobicContact CE1-CB 3.91Å; Y20-K29 HydrophobicContact CE1-CD 4.47Å; Y20-K29 HydrophobicContact CE1-CG 4.28Å; Y20-G62 PolarHBondContact N-O 3.04Å; Y20-I63 CarbonylContact O-C 3.55Å; Y20-I63 VanDerWaalsContact O-CA 3.29Å; Y20-I63 WeakPolarHBondContact O-CA 3.32Å; Y20-I64 PolarHBondContact O-N 3.19Å; Y20-S354 VanDerWaalsContact CE1-O 3.27Å; Y20-S354 WeakPolarHBondContact CE1-O 3.21Å; Y20-S354 PolarHBondContact OH-O 3.3Å; Y20-S354 VanDerWaalsContact OH-O 3.1Å; Y20-V355 HydrophobicContact CD1-CG2 4.12Å; Y20-V355 HydrophobicContact CE1-CG2 4.17Å; Y20-W359 HydrophobicContact CD2-CE3 4.41Å; Y20-W359 AromaticContact CD2-CZ3 3.64Å; Y20-W359 HydrophobicContact CD2-CZ3 3.64Å; Y20-W359 HydrophobicContact CE2-CH2 4.48Å; Y20-W359 AromaticContact CE2-CZ3 3.71Å; Y20-W359 HydrophobicContact CE2-CZ3 3.71Å; Y20-W359 HydrophobicContact CG-CZ3 4.47Å
21	L	98	Very high	95.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138	176.1	-52	-172.8	0	0	0	109.5	R23 V28 D30 L32 I64 L402	L21-R23 HydrophobicContact CB-CG 4.3Å; L21-R23 PolarHBondContact O-N 3.1Å; L21-V28 PolarHBondContact N-O 2.75Å; L21-V28 PolarHBondContact O-N 2.88Å; L21-D30 HydrophobicContact CD1-CB 3.91Å; L21-D30 HydrophobicContact CG-CB 4.19Å; L21-L32 HydrophobicContact CD1-CB 4.4Å; L21-L32 HydrophobicContact CD1-CD1 4.39Å; L21-L32 HydrophobicContact CD2-CB 3.95Å; L21-I64 WeakPolarHBondContact CA-O 3.4Å; L21-I64 HydrophobicContact CD2-CB 3.81Å; L21-I64 HydrophobicContact CD2-CD1 3.92Å; L21-I64 HydrophobicContact CD2-CG1 4.13Å; L21-L402 HydrophobicContact CB-CD1 4.03Å; L21-L402 HydrophobicContact CD2-CD1 4.42Å
22	V	97.8	Very high	95.6	Very high	2 Å²	2	46 Å²	46	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	110.5	165.3	-178.3	0	0	0	0	108.3	H26 L27 I63 I64 L366	V22-H26 WeakPolarHBondContact CA-O 3.22Å; V22-L27 HydrophobicContact CG2-CD2 3.78Å; V22-I63 HydrophobicContact CG2-CG2 3.96Å; V22-I64 PolarHBondContact N-O 3.36Å; V22-L366 HydrophobicContact CG1-CB 4.4Å; V22-L366 HydrophobicContact CG2-CB 4.06Å; V22-L366 HydrophobicContact CG2-CD1 3.57Å; V22-L366 HydrophobicContact CG2-CG 4.43Å
23	R	94.2	Very high	95.8	Very high	66 Å²	66	43.5 Å²	43.5	25%	0.249	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120	175.5	-65.7	-68.4	-172.6	-178.1	-7.8	108.1	L21 E25 H26 V28 L402	L21-R23 HydrophobicContact CB-CG 4.3Å; L21-R23 PolarHBondContact O-N 3.1Å; R23-E25 PolarHBondContact O-N 3.11Å; R23-H26 PolarHBondContact N-O 3.47Å; R23-H26 PolarHBondContact O-N 3.42Å; R23-V28 HydrophobicContact CB-CG2 4.05Å; R23-V28 HydrophobicContact CG-CB 4.27Å; R23-V28 HydrophobicContact CG-CG2 4.16Å; R23-L402 VanDerWaalsContact CZ-O 3.32Å; R23-L402 PolarHBondContact NH1-O 3.36Å; R23-L402 PolarHBondContact NH2-O 3.1Å
24	E	87.1	Confident	96	Very high	153 Å²	153	43.2 Å²	43.2	72%	0.715	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	-95.1	-172.4	-57.3	175.1	177.9	0	0	110.4	A367	E24-A367 WeakPolarHBondContact O-CB 3.18Å
25	E	93	Very high	96	Very high	58 Å²	58	45.8 Å²	45.8	27%	0.271	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	11.7	179.7	-52.4	-168.8	141.2	0	0	112.9	R23 G363 Y364 A367 R372	R23-E25 PolarHBondContact O-N 3.11Å; E25-G363 CarbonylContact O-C 3.46Å; E25-Y364 HydrophobicContact CB-CD2 4.02Å; E25-Y364 HydrophobicContact CG-CD2 4.45Å; E25-Y364 WeakPolarHBondContact O-CA 3.45Å; E25-Y364 PolarHBondContact O-N 2.84Å; E25-Y364 VanDerWaalsContact OE2-CD2 3.25Å; E25-Y364 WeakPolarHBondContact OE2-CD2 3.5Å; E25-Y364 VanDerWaalsContact OE2-CE2 3.29Å; E25-Y364 WeakPolarHBondContact OE2-CE2 3.49Å; E25-A367 HydrophobicContact CB-CB 4.44Å; E25-A367 HydrophobicContact CG-CB 4.11Å; E25-R372 VanDerWaalsContact CD-NH2 3.27Å; E25-R372 IonicContact OE1-CZ 2.78Å; E25-R372 IonicContact OE1-NE 3.97Å; E25-R372 PolarHBondContact OE1-NE 2.83Å; E25-R372 VanDerWaalsContact OE1-NE 3.12Å; E25-R372 IonicContact OE1-NH2 3.73Å; E25-R372 PolarHBondContact OE1-NH2 3.08Å; E25-R372 IonicContact OE2-NH2 3.49Å
26	H	95.1	Very high	95.9	Very high	83 Å²	83	46.2 Å²	46.2	38%	0.384	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.8	-170.6	-63.9	-78.4	0	0	0	112.9	V22 R23 E352	V22-H26 WeakPolarHBondContact CA-O 3.22Å; R23-H26 PolarHBondContact N-O 3.47Å; R23-H26 PolarHBondContact O-N 3.42Å; H26-E352 VanDerWaalsContact CB-OE1 3.3Å; H26-E352 WeakPolarHBondContact CB-OE1 3.24Å; H26-E352 IonicContact CG-OE1 3.84Å; H26-E352 IonicContact ND1-OE1 3.32Å; H26-E352 PolarHBondContact ND1-OE1 2.89Å
27	L	97.4	Very high	95.7	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.1	170.3	-67.8	-178.5	0	0	0	109	V22 I63 V355 W359 L362	V22-L27 HydrophobicContact CG2-CD2 3.78Å; L27-I63 HydrophobicContact CD1-CD1 3.8Å; L27-I63 HydrophobicContact CD1-CG1 4.37Å; L27-I63 HydrophobicContact CD2-CD1 4.18Å; L27-I63 HydrophobicContact CD2-CG1 4.26Å; L27-I63 HydrophobicContact CD2-CG2 3.63Å; L27-V355 HydrophobicContact CB-CG1 4.15Å; L27-V355 HydrophobicContact CB-CG2 3.83Å; L27-V355 HydrophobicContact CD1-CG1 3.9Å; L27-V355 WeakPolarHBondContact O-CG2 3.43Å; L27-W359 HydrophobicContact CD1-CB 4.17Å; L27-W359 HydrophobicContact CD1-CE3 4.36Å; L27-L362 HydrophobicContact CD1-CB 4.23Å
28	V	96	Very high	95.7	Very high	49 Å²	49	47.3 Å²	47.3	30%	0.297	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.1	-179.2	-178.4	0	0	0	0	109.2	Y20 L21 R23 D30	Y20-V28 CarbonylContact C-O 3.5Å; Y20-V28 VanDerWaalsContact CA-O 3.32Å; Y20-V28 WeakPolarHBondContact CA-O 3.41Å; L21-V28 PolarHBondContact N-O 2.75Å; L21-V28 PolarHBondContact O-N 2.88Å; R23-V28 HydrophobicContact CB-CG2 4.05Å; R23-V28 HydrophobicContact CG-CB 4.27Å; R23-V28 HydrophobicContact CG-CG2 4.16Å; V28-D30 HydrophobicContact CG1-CB 4.38Å; V28-D30 PolarHBondContact O-N 3.21Å; V28-D30 VanDerWaalsContact O-N 3.14Å
29	K	96.3	Very high	95.7	Very high	126 Å²	126	44.1 Å²	44.1	55%	0.548	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	105.3	174.8	-171.4	175.2	-175.3	175.4	0	109.4	Y20	Y20-K29 HydrophobicContact CD1-CB 4.01Å; Y20-K29 HydrophobicContact CE1-CB 3.91Å; Y20-K29 HydrophobicContact CE1-CD 4.47Å; Y20-K29 HydrophobicContact CE1-CG 4.28Å
30	D	95.7	Very high	95.6	Very high	76 Å²	76	45.4 Å²	45.4	41%	0.406	22%	0.216	S	C	.	.			trans	-160.3	167.1	-176	-166.1	14.4	0	0	0	110.2	C19 L21 V28	C19-D30 PolarHBondContact SG-O 3.35Å; L21-D30 HydrophobicContact CD1-CB 3.91Å; L21-D30 HydrophobicContact CG-CB 4.19Å; V28-D30 HydrophobicContact CG1-CB 4.38Å; V28-D30 PolarHBondContact O-N 3.21Å; V28-D30 VanDerWaalsContact O-N 3.14Å
31	D	96.3	Very high	95.4	Very high	35 Å²	35	47 Å²	47	19%	0.187	23%	0.226	C	C	.	.			trans	-97.5	144.1	178.3	-67.3	-9.8	0	0	0	111.1	R15 F16 Y17	R15-D31 HydrophobicContact CG-CB 4.38Å; R15-D31 IonicContact CZ-OD2 2.75Å; R15-D31 IonicContact NE-OD2 3.98Å; R15-D31 PolarHBondContact NE-OD2 2.95Å; R15-D31 IonicContact NH2-OD2 2.85Å; R15-D31 PolarHBondContact NH2-OD2 2.91Å; F16-D31 CarbonylContact O-C 3.44Å; F16-D31 VanDerWaalsContact O-CA 3.23Å; F16-D31 WeakPolarHBondContact O-CA 3.38Å; F16-D31 VanDerWaalsContact O-CB 3.28Å; F16-D31 WeakPolarHBondContact O-CB 3.24Å; Y17-D31 VanDerWaalsContact CA-OD1 3.3Å; Y17-D31 WeakPolarHBondContact CA-OD1 3.25Å; Y17-D31 WeakPolarHBondContact CB-OD1 3.08Å
32	L	97.8	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.7	172.3	-170.6	70.8	0	0	0	110.2	R15 F16 L21 I34 I39 I64 L402 F410	R15-L32 CarbonylContact C-O 3.54Å; R15-L32 WeakPolarHBondContact CA-O 3.4Å; F16-L32 HydrophobicContact CB-CB 4.13Å; F16-L32 HydrophobicContact CD2-CB 4.2Å; F16-L32 HydrophobicContact CD2-CD2 4.38Å; F16-L32 PolarHBondContact N-O 2.85Å; F16-L32 PolarHBondContact O-N 3.42Å; L21-L32 HydrophobicContact CD1-CB 4.4Å; L21-L32 HydrophobicContact CD1-CD1 4.39Å; L21-L32 HydrophobicContact CD2-CB 3.95Å; L32-I34 HydrophobicContact CD2-CG2 4.16Å; L32-I34 HydrophobicContact CG-CG2 4.14Å; L32-I39 HydrophobicContact CD1-CD1 4.26Å; L32-I39 HydrophobicContact CD1-CG2 3.66Å; L32-I64 HydrophobicContact CB-CD1 4.02Å; L32-I64 HydrophobicContact CD2-CD1 4.24Å; L32-I64 HydrophobicContact CD2-CG2 4.01Å; L32-L402 HydrophobicContact CD1-CB 4.3Å; L32-L402 HydrophobicContact CD1-CD2 4.47Å; L32-L402 HydrophobicContact CD2-CD2 4.37Å; L32-F410 HydrophobicContact CD2-CD1 3.93Å; L32-F410 HydrophobicContact CD2-CE1 3.85Å; L32-F410 HydrophobicContact CD2-CE2 4.42Å; L32-F410 HydrophobicContact CD2-CG 4.28Å; L32-F410 HydrophobicContact CD2-CZ 4.11Å
33	W	97.3	Very high	94.1	Very high	28 Å²	28	53.2 Å²	53.2	11%	0.106	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.1	177	-64	75.5	0	0	0	109.4	I13 I14 R15 L40 V45 P53	I13-W33 HydrophobicContact CG2-CE3 3.73Å; I13-W33 HydrophobicContact CG2-CZ3 4.05Å; I14-W33 WeakPolarHBondContact O-CA 3.24Å; R15-W33 HydrophobicContact CB-CD2 3.98Å; R15-W33 HydrophobicContact CB-CE3 3.87Å; R15-W33 HydrophobicContact CB-CH2 4.23Å; R15-W33 HydrophobicContact CB-CZ2 4.29Å; R15-W33 HydrophobicContact CB-CZ3 4.01Å; R15-W33 HydrophobicContact CG-CD2 3.98Å; R15-W33 HydrophobicContact CG-CE3 4.3Å; R15-W33 HydrophobicContact CG-CH2 4.15Å; R15-W33 HydrophobicContact CG-CZ2 3.76Å; R15-W33 HydrophobicContact CG-CZ3 4.39Å; W33-L40 HydrophobicContact CB-CB 3.98Å; W33-L40 PolarHBondContact O-N 3.13Å; W33-V45 HydrophobicContact CE3-CG1 4.17Å; W33-V45 HydrophobicContact CZ3-CG1 4.11Å; W33-P53 HydrophobicContact CE3-CB 4.49Å; W33-P53 HydrophobicContact CH2-CB 4.41Å; W33-P53 HydrophobicContact CH2-CG 4.06Å; W33-P53 HydrophobicContact CZ3-CB 3.81Å; W33-P53 HydrophobicContact CZ3-CG 3.95Å
34	I	96.7	Very high	93.6	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.6	177.1	72.1	174.6	0	0	0	111.4	I14 F16 L32 I38 I39 A408 F410 W432	I14-I34 HydrophobicContact CB-CD1 4.48Å; I14-I34 HydrophobicContact CB-CG1 3.83Å; I14-I34 HydrophobicContact CD1-CD1 4.01Å; I14-I34 HydrophobicContact CD1-CG1 4.02Å; I14-I34 HydrophobicContact CG1-CG1 4.34Å; I14-I34 PolarHBondContact N-O 2.9Å; I14-I34 PolarHBondContact O-N 2.9Å; F16-I34 HydrophobicContact CE2-CD1 3.73Å; F16-I34 HydrophobicContact CE2-CG1 3.95Å; F16-I34 HydrophobicContact CZ-CD1 4.17Å; L32-I34 HydrophobicContact CD2-CG2 4.16Å; L32-I34 HydrophobicContact CG-CG2 4.14Å; I34-I38 CarbonylContact C-O 3.5Å; I34-I38 VanDerWaalsContact CA-O 3.23Å; I34-I38 WeakPolarHBondContact CA-O 3.32Å; I34-I38 WeakPolarHBondContact CB-O 3.34Å; I34-I39 HydrophobicContact CG2-CG1 4.07Å; I34-A408 HydrophobicContact CB-CB 4.13Å; I34-A408 HydrophobicContact CD1-CB 4.2Å; I34-A408 HydrophobicContact CG2-CB 3.88Å; I34-F410 HydrophobicContact CD1-CE1 4.09Å; I34-F410 HydrophobicContact CD1-CZ 4.24Å; I34-F410 HydrophobicContact CG2-CE1 4.23Å; I34-W432 HydrophobicContact CD1-CE3 4.14Å; I34-W432 HydrophobicContact CD1-CZ3 4.07Å
35	R	95.1	Very high	93.3	Very high	57 Å²	57	45.8 Å²	45.8	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	132.6	169.7	173	170.8	27.2	179	-6.6	108.9	I13 G37 I38 L40 E49	I13-R35 HydrophobicContact CG1-CB 4.48Å; R35-G37 PolarHBondContact O-N 3.37Å; R35-G37 VanDerWaalsContact O-N 3.13Å; R35-I38 PolarHBondContact N-O 2.99Å; R35-I38 PolarHBondContact O-N 2.84Å; R35-L40 HydrophobicContact CB-CD1 3.75Å; R35-L40 HydrophobicContact CB-CD2 4.35Å; R35-L40 HydrophobicContact CB-CG 4.33Å; R35-E49 IonicContact CZ-OE1 3.6Å; R35-E49 IonicContact CZ-OE2 3.96Å; R35-E49 VanDerWaalsContact CZ-OE2 3.22Å; R35-E49 IonicContact NH1-OE1 2.83Å; R35-E49 IonicContact NH1-OE2 2.71Å; R35-E49 PolarHBondContact NH1-OE2 2.97Å; R35-E49 IonicContact NH2-OE1 3.87Å; R35-E49 PolarHBondContact NH2-OE1 3.16Å; R35-E49 IonicContact NH2-OE2 3.5Å; R35-E49 PolarHBondContact NH2-OE2 3.02Å
36	D	93.7	Very high	92.7	Very high	86 Å²	86	48.8 Å²	48.8	46%	0.46	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	43.2	176	-62.7	-48.3	0	0	0	114.4	T10 G11 I38	T10-D36 WeakPolarHBondContact CA-OD1 3.22Å; G11-D36 WeakPolarHBondContact CA-OD2 3.3Å; G11-D36 PolarHBondContact N-OD1 3.22Å; G11-D36 PolarHBondContact N-OD2 2.92Å; D36-I38 VanDerWaalsContact C-N 3.32Å; D36-I38 PolarHBondContact O-N 3.33Å
37	G	93.8	Very high	92	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.031	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	3.6	177.3	0	0	0	0	0	115.7	R35 A408 N434	R35-G37 PolarHBondContact O-N 3.37Å; R35-G37 VanDerWaalsContact O-N 3.13Å; G37-A408 WeakPolarHBondContact O-CB 3.4Å; G37-A408 PolarHBondContact O-N 2.81Å; G37-N434 VanDerWaalsContact CA-C 3.47Å; G37-N434 WeakPolarHBondContact CA-O 3.43Å
38	I	96.1	Very high	91.2	Very high	65 Å²	65	55.4 Å²	55.4	33%	0.333	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.9	-179.9	-60.8	167.9	0	0	0	110.1	I34 R35 D36 L397 S406	I34-I38 CarbonylContact C-O 3.5Å; I34-I38 VanDerWaalsContact CA-O 3.23Å; I34-I38 WeakPolarHBondContact CA-O 3.32Å; I34-I38 WeakPolarHBondContact CB-O 3.34Å; R35-I38 PolarHBondContact N-O 2.99Å; R35-I38 PolarHBondContact O-N 2.84Å; D36-I38 VanDerWaalsContact C-N 3.32Å; D36-I38 PolarHBondContact O-N 3.33Å; I38-L397 HydrophobicContact CD1-CD1 4.48Å; I38-L397 HydrophobicContact CG1-CD1 3.63Å; I38-L397 HydrophobicContact CG1-CD2 4.31Å; I38-S406 WeakPolarHBondContact CA-O 3.5Å
39	I	97.1	Very high	90.7	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.7	170.8	-57.4	-177.9	0	0	0	110.1	L32 I34 L402 S404 G405 S406 A408	L32-I39 HydrophobicContact CD1-CD1 4.26Å; L32-I39 HydrophobicContact CD1-CG2 3.66Å; I34-I39 HydrophobicContact CG2-CG1 4.07Å; I39-L402 HydrophobicContact CD1-CB 4.29Å; I39-L402 HydrophobicContact CD1-CD2 3.84Å; I39-L402 WeakPolarHBondContact CG2-O 3.26Å; I39-S404 CarbonylContact O-C 3.44Å; I39-S404 WeakPolarHBondContact O-CA 3.01Å; I39-G405 PolarHBondContact O-N 2.97Å; I39-S406 WeakPolarHBondContact CD1-OG 3.26Å; I39-S406 PolarHBondContact N-O 2.74Å; I39-A408 HydrophobicContact CG1-CB 4.07Å
40	L	95.6	Very high	90.1	Very high	29 Å²	29	59.8 Å²	59.8	15%	0.152	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	154.2	-176.4	-53.1	176.6	0	0	0	111.2	I13 W33 R35 V45	I13-L40 HydrophobicContact CG2-CD1 4.43Å; W33-L40 HydrophobicContact CB-CB 3.98Å; W33-L40 PolarHBondContact O-N 3.13Å; R35-L40 HydrophobicContact CB-CD1 3.75Å; R35-L40 HydrophobicContact CB-CD2 4.35Å; R35-L40 HydrophobicContact CB-CG 4.33Å; L40-V45 HydrophobicContact CB-CG2 3.87Å; L40-V45 HydrophobicContact CD1-CG2 3.71Å; L40-V45 HydrophobicContact CG-CG2 4.39Å
41	D	92.7	Very high	89.5	Confident	60 Å²	60	57.3 Å²	57.3	32%	0.321	29%	0.293	S	S	.	.			trans	-80.6	114.7	162	168.8	29	0	0	0	109	L43 T44 V45 S404	D41-L43 PolarHBondContact O-N 2.92Å; D41-L43 PolarHBondContact OD1-N 3.04Å; D41-L43 VanDerWaalsContact OD1-N 3.09Å; D41-T44 PolarHBondContact O-N 3.48Å; D41-T44 WeakPolarHBondContact OD2-CB 3.37Å; D41-T44 PolarHBondContact OD2-N 3.35Å; D41-T44 VanDerWaalsContact OD2-N 3.09Å; D41-T44 PolarHBondContact OD2-OG1 3.09Å; D41-V45 WeakPolarHBondContact O-CG2 3.36Å; D41-V45 PolarHBondContact O-N 3.06Å; D41-S404 PolarHBondContact N-OG 3.26Å
42	G	84.1	Confident	89.1	Confident	19 Å²	19	62.2 Å²	62.2	20%	0.196	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-31.3	-178.8	0	0	0	0	0	113.4	F46	G42-F46 WeakPolarHBondContact O-CB 3.43Å; G42-F46 PolarHBondContact O-N 3.38Å
43	L	84.4	Confident	88.8	Confident	114 Å²	114	62.4 Å²	62.4	60%	0.597	32%	0.318	S	S	*	.	H	α-helix	trans	-68.9	-44.7	176.4	-67	174.3	0	0	0	110.9	D41 V45 F46 F47	D41-L43 PolarHBondContact O-N 2.92Å; D41-L43 PolarHBondContact OD1-N 3.04Å; D41-L43 VanDerWaalsContact OD1-N 3.09Å; L43-V45 PolarHBondContact O-N 2.83Å; L43-F46 PolarHBondContact O-N 3.27Å; L43-F47 HydrophobicContact CB-CD2 4.35Å; L43-F47 HydrophobicContact CD2-CD2 4.23Å; L43-F47 HydrophobicContact CD2-CE2 3.84Å; L43-F47 WeakPolarHBondContact O-CB 3.3Å; L43-F47 WeakPolarHBondContact O-CD2 3.23Å; L43-F47 PolarHBondContact O-N 2.84Å
44	T	83.9	Confident	88.6	Confident	62 Å²	62	63.3 Å²	63.3	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-44.2	174.8	-65.3	0	0	0	0	111.7	D41 F46 S48 E49	D41-T44 PolarHBondContact O-N 3.48Å; D41-T44 WeakPolarHBondContact OD2-CB 3.37Å; D41-T44 PolarHBondContact OD2-N 3.35Å; D41-T44 VanDerWaalsContact OD2-N 3.09Å; D41-T44 PolarHBondContact OD2-OG1 3.09Å; T44-F46 VanDerWaalsContact C-N 3.32Å; T44-F46 PolarHBondContact O-N 3.44Å; T44-S48 WeakPolarHBondContact O-CA 3.28Å; T44-S48 WeakPolarHBondContact O-CB 3.44Å; T44-S48 PolarHBondContact O-N 2.97Å; T44-E49 PolarHBondContact O-N 3.26Å; T44-E49 VanDerWaalsContact O-N 3.15Å
45	V	81	Confident	88.4	Confident	1 Å²	1	64 Å²	64	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-43.9	176.6	175.6	0	0	0	0	111.3	I13 W33 L40 D41 L43 E49 K50 A51	I13-V45 HydrophobicContact CD1-CG1 4.18Å; I13-V45 HydrophobicContact CG2-CG1 4.46Å; W33-V45 HydrophobicContact CE3-CG1 4.17Å; W33-V45 HydrophobicContact CZ3-CG1 4.11Å; L40-V45 HydrophobicContact CB-CG2 3.87Å; L40-V45 HydrophobicContact CD1-CG2 3.71Å; L40-V45 HydrophobicContact CG-CG2 4.39Å; D41-V45 WeakPolarHBondContact O-CG2 3.36Å; D41-V45 PolarHBondContact O-N 3.06Å; L43-V45 PolarHBondContact O-N 2.83Å; V45-E49 CarbonylContact O-C 3.28Å; V45-E49 WeakPolarHBondContact O-CB 3.35Å; V45-K50 PolarHBondContact O-N 3.33Å; V45-K50 VanDerWaalsContact O-N 3.09Å; V45-A51 HydrophobicContact CG1-CB 4.14Å; V45-A51 PolarHBondContact O-N 2.9Å
46	F	81.3	Confident	88.4	Confident	120 Å²	120	63.2 Å²	63.2	53%	0.526	33%	0.328	S	S	.	.	H	α-helix	trans	-75.3	-49.2	-177.2	-174.3	-100.1	0	0	0	113.4	G42 L43 T44 K50	G42-F46 WeakPolarHBondContact O-CB 3.43Å; G42-F46 PolarHBondContact O-N 3.38Å; L43-F46 PolarHBondContact O-N 3.27Å; T44-F46 VanDerWaalsContact C-N 3.32Å; T44-F46 PolarHBondContact O-N 3.44Å; F46-K50 VanDerWaalsContact O-CA 3.3Å; F46-K50 WeakPolarHBondContact O-CA 3.44Å; F46-K50 PolarHBondContact O-N 2.9Å
47	F	79.6	Confident	88.4	Confident	140 Å²	140	59.1 Å²	59.1	61%	0.614	31%	0.307	S	S	*	.	H	α-helix	trans	-84.8	-40.9	-173	-73.9	-74.7	0	0	0	113.2	L43	L43-F47 HydrophobicContact CB-CD2 4.35Å; L43-F47 HydrophobicContact CD2-CD2 4.23Å; L43-F47 HydrophobicContact CD2-CE2 3.84Å; L43-F47 WeakPolarHBondContact O-CB 3.3Å; L43-F47 WeakPolarHBondContact O-CD2 3.23Å; L43-F47 PolarHBondContact O-N 2.84Å
48	S	81.6	Confident	88.6	Confident	91 Å²	91	60.2 Å²	60.2	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-48.1	-173.8	-52.7	0	0	0	0	111.6	T44	T44-S48 WeakPolarHBondContact O-CA 3.28Å; T44-S48 WeakPolarHBondContact O-CB 3.44Å; T44-S48 PolarHBondContact O-N 2.97Å
49	E	84.8	Confident	88.6	Confident	87 Å²	87	57.1 Å²	57.1	41%	0.407	30%	0.296	S	S	.	.	S	Bend	trans	-85.6	-20.7	180	-59.3	-178.5	-141.1	0	0	113	R35 T44 V45 A51	R35-E49 IonicContact CZ-OE1 3.6Å; R35-E49 IonicContact CZ-OE2 3.96Å; R35-E49 VanDerWaalsContact CZ-OE2 3.22Å; R35-E49 IonicContact NH1-OE1 2.83Å; R35-E49 IonicContact NH1-OE2 2.71Å; R35-E49 PolarHBondContact NH1-OE2 2.97Å; R35-E49 IonicContact NH2-OE1 3.87Å; R35-E49 PolarHBondContact NH2-OE1 3.16Å; R35-E49 IonicContact NH2-OE2 3.5Å; R35-E49 PolarHBondContact NH2-OE2 3.02Å; T44-E49 PolarHBondContact O-N 3.26Å; T44-E49 VanDerWaalsContact O-N 3.15Å; V45-E49 CarbonylContact O-C 3.28Å; V45-E49 WeakPolarHBondContact O-CB 3.35Å; E49-A51 HydrophobicContact CB-CB 4.07Å; E49-A51 PolarHBondContact O-N 2.91Å; E49-A51 VanDerWaalsContact O-N 3.16Å
50	K	83.1	Confident	88.5	Confident	180 Å²	180	58.6 Å²	58.6	78%	0.783	31%	0.311	S	S	*	.			trans	51.4	33.1	-172.9	-59.1	-179.6	-179.3	177	0	112.3	V45 F46	V45-K50 PolarHBondContact O-N 3.33Å; V45-K50 VanDerWaalsContact O-N 3.09Å; F46-K50 VanDerWaalsContact O-CA 3.3Å; F46-K50 WeakPolarHBondContact O-CA 3.44Å; F46-K50 PolarHBondContact O-N 2.9Å
51	A	84.5	Confident	88.5	Confident	24 Å²	24	57.8 Å²	57.8	20%	0.198	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-94.6	143	-175.8	0	0	0	0	0	110.9	I13 V45 E49	I13-A51 HydrophobicContact CD1-CB 3.59Å; V45-A51 HydrophobicContact CG1-CB 4.14Å; V45-A51 PolarHBondContact O-N 2.9Å; E49-A51 HydrophobicContact CB-CB 4.07Å; E49-A51 PolarHBondContact O-N 2.91Å; E49-A51 VanDerWaalsContact O-N 3.16Å
52	M	87.9	Confident	88.7	Confident	138 Å²	138	54.9 Å²	54.9	68%	0.68	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-95.1	151	169.5	-68.6	-62.8	-71.3	0	0	109.3	D54	M52-D54 PolarHBondContact O-N 3.32Å
53	P	91.3	Very high	89.4	Confident	4 Å²	4	54 Å²	54	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.4	130.9	173.9	27.8	-32.1	0	0	0	109.7	I13 R15 W33 I55 L56 S453	I13-P53 HydrophobicContact CG2-CB 4.35Å; I13-P53 CarbonylContact O-C 3.55Å; R15-P53 HydrophobicContact CB-CB 3.65Å; R15-P53 HydrophobicContact CB-CG 4.05Å; W33-P53 HydrophobicContact CE3-CB 4.49Å; W33-P53 HydrophobicContact CH2-CB 4.41Å; W33-P53 HydrophobicContact CH2-CG 4.06Å; W33-P53 HydrophobicContact CZ3-CB 3.81Å; W33-P53 HydrophobicContact CZ3-CG 3.95Å; P53-I55 VanDerWaalsContact C-N 3.3Å; P53-L56 HydrophobicContact CB-CD2 4.17Å; P53-L56 HydrophobicContact CG-CD2 3.53Å; P53-L56 HydrophobicContact CG-CG 4.19Å; P53-S453 WeakPolarHBondContact O-CB 3.33Å; P53-S453 PolarHBondContact O-OG 3.15Å
54	D	92.8	Very high	90	Very high	48 Å²	48	48.6 Å²	48.6	26%	0.257	26%	0.257	S	S	.	.	S	Bend	trans	-68.8	-32.2	172.2	-62.6	-97.7	0	0	0	111.8	K12 I13 M52 S453	K12-D54 WeakPolarHBondContact CA-OD2 3.25Å; K12-D54 HydrophobicContact CB-CB 4.1Å; K12-D54 HydrophobicContact CD-CB 3.81Å; K12-D54 WeakPolarHBondContact CD-OD1 3.29Å; K12-D54 HydrophobicContact CG-CB 4.38Å; K12-D54 IonicContact NZ-OD1 3.88Å; K12-D54 PolarHBondContact NZ-OD1 2.78Å; I13-D54 PolarHBondContact N-OD2 2.63Å; I13-D54 PolarHBondContact O-N 2.73Å; M52-D54 PolarHBondContact O-N 3.32Å; D54-S453 WeakPolarHBondContact CA-OG 2.84Å; D54-S453 PolarHBondContact O-N 2.9Å; D54-S453 PolarHBondContact O-OG 3.2Å
55	I	92.9	Very high	90.7	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.077	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128	-176.7	-59.8	169.7	0	0	0	108.9	L9 K12 I13 I14 R15 P53 I57 I450	L9-I55 HydrophobicContact CD2-CD1 3.58Å; K12-I55 HydrophobicContact CB-CD1 4.32Å; I13-I55 PolarHBondContact O-N 2.78Å; I14-I55 WeakPolarHBondContact CA-O 3.3Å; I14-I55 HydrophobicContact CG1-CB 4.3Å; I14-I55 HydrophobicContact CG1-CD1 4.36Å; I14-I55 HydrophobicContact CG2-CB 4.28Å; I14-I55 HydrophobicContact CG2-CG2 4.21Å; R15-I55 PolarHBondContact N-O 2.93Å; P53-I55 VanDerWaalsContact C-N 3.3Å; I55-I57 HydrophobicContact CG2-CD1 4.44Å; I55-I57 HydrophobicContact CG2-CG1 4.09Å; I55-I450 HydrophobicContact CG2-CG2 4.27Å
56	L	93.8	Very high	91.6	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.209	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127	174.4	-69.3	169.4	0	0	0	109.5	R15 Y17 P53 K451	R15-L56 HydrophobicContact CB-CD2 4.14Å; R15-L56 HydrophobicContact CG-CD2 4.38Å; Y17-L56 HydrophobicContact CD1-CB 4.49Å; Y17-L56 HydrophobicContact CD1-CD2 4.43Å; Y17-L56 HydrophobicContact CE1-CB 4.01Å; P53-L56 HydrophobicContact CB-CD2 4.17Å; P53-L56 HydrophobicContact CG-CD2 3.53Å; P53-L56 HydrophobicContact CG-CG 4.19Å; L56-K451 HydrophobicContact CB-CB 4.1Å; L56-K451 WeakPolarHBondContact CB-O 3.43Å; L56-K451 PolarHBondContact N-O 2.93Å; L56-K451 PolarHBondContact O-N 2.88Å; L56-K451 VanDerWaalsContact O-O 3.11Å
57	I	95.1	Very high	92.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.3	175.8	-61.3	175.3	0	0	0	108.4	L4 I14 R15 F16 Y17 I55 V59 W432 I448	L4-I57 HydrophobicContact CD2-CD1 4.01Å; I14-I57 HydrophobicContact CG2-CD1 3.67Å; I14-I57 HydrophobicContact CG2-CG1 4.2Å; R15-I57 PolarHBondContact O-N 2.82Å; F16-I57 WeakPolarHBondContact CA-O 3.36Å; F16-I57 HydrophobicContact CD1-CB 3.76Å; F16-I57 HydrophobicContact CD1-CD1 4.06Å; F16-I57 HydrophobicContact CD1-CG1 4.48Å; F16-I57 HydrophobicContact CD1-CG2 3.72Å; F16-I57 HydrophobicContact CE1-CB 4.05Å; F16-I57 HydrophobicContact CE1-CD1 3.43Å; F16-I57 VanDerWaalsContact CE1-CD1 3.43Å; F16-I57 HydrophobicContact CE1-CG1 4.31Å; F16-I57 HydrophobicContact CE1-CG2 3.97Å; F16-I57 HydrophobicContact CG-CB 4.38Å; F16-I57 HydrophobicContact CZ-CD1 3.71Å; Y17-I57 VanDerWaalsContact CD1-O 3.22Å; Y17-I57 WeakPolarHBondContact CD1-O 3.3Å; Y17-I57 VanDerWaalsContact CE1-C 3.5Å; Y17-I57 PolarHBondContact N-O 2.9Å; I55-I57 HydrophobicContact CG2-CD1 4.44Å; I55-I57 HydrophobicContact CG2-CG1 4.09Å; I57-V59 HydrophobicContact CG2-CG2 4.47Å; I57-W432 HydrophobicContact CD1-CH2 3.93Å; I57-W432 HydrophobicContact CD1-CZ2 3.89Å; I57-I448 HydrophobicContact CG2-CG2 3.58Å
58	D	96.4	Very high	93.3	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.134	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.9	171	-168.2	-23.3	0	0	0	108.7	Y17 N18 G60 I448 N449	Y17-D58 HydrophobicContact CE1-CB 3.79Å; Y17-D58 VanDerWaalsContact CE1-N 3.32Å; Y17-D58 HydrophobicContact CE2-CB 4.15Å; Y17-D58 WeakPolarHBondContact OH-CB 3.4Å; N18-D58 WeakPolarHBondContact CB-OD1 3.07Å; N18-D58 PolarHBondContact ND2-OD1 2.57Å; D58-G60 PolarHBondContact OD1-N 3.46Å; D58-I448 VanDerWaalsContact O-CA 3.28Å; D58-I448 WeakPolarHBondContact O-CA 3.46Å; D58-N449 HydrophobicContact CB-CB 4.05Å; D58-N449 PolarHBondContact N-O 3.01Å; D58-N449 PolarHBondContact O-N 3.5Å
59	V	96.7	Very high	94.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.154	C	C	.	.			trans	-94	3.8	-177.1	-176.1	0	0	0	0	111.9	F16 Y17 C19 I57 G61 G62 I64 I412 Y447	F16-V59 HydrophobicContact CB-CG2 3.98Å; F16-V59 HydrophobicContact CD1-CG2 4.16Å; Y17-V59 PolarHBondContact O-N 2.97Å; C19-V59 HydrophobicContact CB-CB 3.77Å; C19-V59 HydrophobicContact CB-CG1 3.88Å; C19-V59 HydrophobicContact CB-CG2 4.04Å; I57-V59 HydrophobicContact CG2-CG2 4.47Å; V59-G61 PolarHBondContact O-N 2.92Å; V59-G62 PolarHBondContact O-N 2.7Å; V59-I64 HydrophobicContact CG1-CG1 4.45Å; V59-I64 HydrophobicContact CG2-CD1 4.26Å; V59-I412 HydrophobicContact CG1-CG2 3.56Å; V59-Y447 CarbonylContact C-O 3.52Å
60	G	95	Very high	94.8	Very high	32 Å²	32	25 Å²	25	33%	0.33	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	27.7	172.5	0	0	0	0	0	114	D58 G62 R414 Y447	D58-G60 PolarHBondContact OD1-N 3.46Å; G60-G62 VanDerWaalsContact C-N 3.27Å; G60-G62 PolarHBondContact O-N 2.93Å; G60-R414 PolarHBondContact O-NH1 3.19Å; G60-Y447 WeakPolarHBondContact CA-O 3.29Å; G60-Y447 PolarHBondContact N-O 3.16Å
61	G	95.3	Very high	95.6	Very high	11 Å²	11	16.5 Å²	16.5	11%	0.113	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	13.2	-172.3	0	0	0	0	0	113.7	N18 V59 W359 R414	N18-G61 PolarHBondContact ND2-N 3.39Å; N18-G61 WeakPolarHBondContact O-CA 3.32Å; N18-G61 PolarHBondContact O-N 3.36Å; V59-G61 PolarHBondContact O-N 2.92Å; G61-W359 VanDerWaalsContact O-CH2 3.25Å; G61-W359 WeakPolarHBondContact O-CH2 3.33Å; G61-R414 PolarHBondContact O-NH1 3.28Å
62	G	96.9	Very high	96.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.09	C	C	.	.			trans	-68.3	-179	175.9	0	0	0	0	0	113.4	C19 Y20 V59 G60	C19-G62 CarbonylContact C-O 3.45Å; C19-G62 VanDerWaalsContact CA-O 3.32Å; C19-G62 WeakPolarHBondContact CA-O 3.32Å; Y20-G62 PolarHBondContact N-O 3.04Å; V59-G62 PolarHBondContact O-N 2.7Å; G60-G62 VanDerWaalsContact C-N 3.27Å; G60-G62 PolarHBondContact O-N 2.93Å
63	I	98.3	Very high	96.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.7	-178.8	-61.3	165.3	0	0	0	108.9	Y20 V22 L27 W359 L362 L366 I412 I413 P415	Y20-I63 CarbonylContact O-C 3.55Å; Y20-I63 VanDerWaalsContact O-CA 3.29Å; Y20-I63 WeakPolarHBondContact O-CA 3.32Å; V22-I63 HydrophobicContact CG2-CG2 3.96Å; L27-I63 HydrophobicContact CD1-CD1 3.8Å; L27-I63 HydrophobicContact CD1-CG1 4.37Å; L27-I63 HydrophobicContact CD2-CD1 4.18Å; L27-I63 HydrophobicContact CD2-CG1 4.26Å; L27-I63 HydrophobicContact CD2-CG2 3.63Å; I63-W359 HydrophobicContact CD1-CD2 4.31Å; I63-W359 HydrophobicContact CD1-CE3 3.81Å; I63-W359 HydrophobicContact CD1-CZ3 4.04Å; I63-W359 HydrophobicContact CG1-CE3 4.11Å; I63-W359 HydrophobicContact CG1-CZ3 3.89Å; I63-L362 HydrophobicContact CD1-CD2 3.39Å; I63-L362 HydrophobicContact CD1-CG 4.27Å; I63-L366 HydrophobicContact CG2-CD1 4.09Å; I63-I412 WeakPolarHBondContact O-CA 3.48Å; I63-I413 HydrophobicContact CB-CD1 4.33Å; I63-I413 HydrophobicContact CB-CG1 3.79Å; I63-I413 HydrophobicContact CG2-CD1 4.28Å; I63-I413 HydrophobicContact CG2-CG1 4.18Å; I63-I413 PolarHBondContact N-O 2.86Å; I63-I413 PolarHBondContact O-N 2.9Å; I63-P415 HydrophobicContact CD1-CG 4Å
64	I	98.7	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.9	166.3	-50.7	-178.1	0	0	0	108.1	F16 C19 Y20 L21 V22 L32 V59 L402 F410 I411 I412	F16-I64 HydrophobicContact CB-CD1 3.64Å; F16-I64 HydrophobicContact CD1-CD1 4.27Å; F16-I64 HydrophobicContact CG-CD1 4.01Å; C19-I64 HydrophobicContact CB-CD1 4.17Å; C19-I64 HydrophobicContact CB-CG1 4.11Å; Y20-I64 PolarHBondContact O-N 3.19Å; L21-I64 WeakPolarHBondContact CA-O 3.4Å; L21-I64 HydrophobicContact CD2-CB 3.81Å; L21-I64 HydrophobicContact CD2-CD1 3.92Å; L21-I64 HydrophobicContact CD2-CG1 4.13Å; V22-I64 PolarHBondContact N-O 3.36Å; L32-I64 HydrophobicContact CB-CD1 4.02Å; L32-I64 HydrophobicContact CD2-CD1 4.24Å; L32-I64 HydrophobicContact CD2-CG2 4.01Å; V59-I64 HydrophobicContact CG1-CG1 4.45Å; V59-I64 HydrophobicContact CG2-CD1 4.26Å; I64-L402 HydrophobicContact CB-CD1 4.47Å; I64-L402 HydrophobicContact CG2-CD1 4.13Å; I64-L402 HydrophobicContact CG2-CD2 4.38Å; I64-L402 WeakPolarHBondContact O-CD1 3.4Å; I64-F410 HydrophobicContact CG2-CB 3.93Å; I64-F410 HydrophobicContact CG2-CD2 3.52Å; I64-F410 HydrophobicContact CG2-CE2 4.23Å; I64-F410 HydrophobicContact CG2-CG 3.88Å; I64-I411 WeakPolarHBondContact CA-O 3.26Å; I64-I412 HydrophobicContact CG1-CG1 4.34Å
65	S	98.8	Very high	97.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.2	174.7	177	0	0	0	0	109.4	F410 I411	S65-F410 CarbonylContact O-C 3.15Å; S65-F410 VanDerWaalsContact O-CA 3.25Å; S65-F410 WeakPolarHBondContact O-CA 3.49Å; S65-F410 WeakPolarHBondContact O-CB 3.4Å; S65-I411 PolarHBondContact N-O 3Å; S65-I411 PolarHBondContact O-N 2.83Å
66	P	98.5	Very high	97.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	147.9	161.5	-6.8	13.2	0	0	0	110	L402	P66-L402 HydrophobicContact CB-CD2 4.46Å; P66-L402 HydrophobicContact CB-CG 4.47Å; P66-L402 HydrophobicContact CG-CD2 4.47Å; P66-L402 HydrophobicContact CG-CG 3.97Å
67	G	98.5	Very high	97.8	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.01	4%	0.035	C	C	.	.	P	Polyproline II helix	trans	-59.1	145	-176	0	0	0	0	0	110.8	T105 D409	G67-T105 VanDerWaalsContact CA-OG1 3.26Å; G67-T105 WeakPolarHBondContact CA-OG1 3.32Å; G67-D409 PolarHBondContact N-O 3.11Å
68	L	98.9	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.6	-175.9	-49.6	-179.7	0	0	0	110.1	G103 V104 T105 A106 L333 L334 A369 I411	L68-G103 WeakPolarHBondContact CB-O 3.4Å; L68-G103 WeakPolarHBondContact CG-O 3.42Å; L68-G103 PolarHBondContact N-O 2.95Å; L68-G103 VanDerWaalsContact N-O 3.12Å; L68-V104 HydrophobicContact CB-CG2 4.43Å; L68-V104 WeakPolarHBondContact O-CA 3.4Å; L68-T105 PolarHBondContact O-N 3.22Å; L68-T105 PolarHBondContact O-OG1 3.07Å; L68-A106 PolarHBondContact O-N 3.48Å; L68-L333 HydrophobicContact CB-CD2 3.85Å; L68-L333 HydrophobicContact CD1-CB 4.37Å; L68-L333 HydrophobicContact CD1-CD2 4.46Å; L68-L333 HydrophobicContact CD1-CG 4.29Å; L68-L334 HydrophobicContact CD1-CB 4.03Å; L68-L334 HydrophobicContact CD1-CD1 4.09Å; L68-A369 CarbonylContact C-O 3.5Å; L68-A369 WeakPolarHBondContact CA-O 3.38Å; L68-A369 HydrophobicContact CD2-CB 3.96Å; L68-I411 HydrophobicContact CD1-CD1 4.19Å; L68-I411 HydrophobicContact CD2-CD1 3.89Å; L68-I411 HydrophobicContact CG-CD1 3.86Å
69	I	98.9	Very high	98	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119	-179.6	-55.1	-179.8	0	0	0	108.6	V71 A106 L139 A369 P373 A374 L379 L399	I69-V71 HydrophobicContact CG2-CG1 4.27Å; I69-A106 VanDerWaalsContact CA-O 3.29Å; I69-A106 WeakPolarHBondContact CA-O 3.35Å; I69-A106 HydrophobicContact CG1-CB 4.24Å; I69-A106 HydrophobicContact CG2-CB 4.47Å; I69-L139 HydrophobicContact CG2-CD1 3.58Å; I69-A369 PolarHBondContact N-O 3.23Å; I69-P373 HydrophobicContact CB-CB 3.95Å; I69-P373 HydrophobicContact CB-CG 3.91Å; I69-P373 HydrophobicContact CG2-CB 3.99Å; I69-P373 HydrophobicContact CG2-CG 4.5Å; I69-P373 WeakPolarHBondContact O-CG 3.33Å; I69-A374 HydrophobicContact CD1-CB 3.79Å; I69-L379 HydrophobicContact CD1-CD1 4.29Å; I69-L399 HydrophobicContact CD1-CB 4.35Å
70	D	98.9	Very high	98.1	Very high	3 Å²	3	8 Å²	8	2%	0.016	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.7	177.3	-158.9	-18.1	0	0	0	111.3	Q72 V73 V104 A106 F107 C108 T291 L333	D70-Q72 VanDerWaalsContact C-N 3.3Å; D70-Q72 PolarHBondContact OD1-N 3.47Å; D70-V73 HydrophobicContact CB-CG2 3.65Å; D70-V104 HydrophobicContact CB-CG1 4.46Å; D70-A106 PolarHBondContact N-O 2.77Å; D70-A106 VanDerWaalsContact N-O 3.08Å; D70-F107 HydrophobicContact CB-CB 4.3Å; D70-F107 CarbonylContact O-C 3.54Å; D70-F107 WeakPolarHBondContact O-CA 3.4Å; D70-F107 WeakPolarHBondContact O-CB 3.28Å; D70-C108 PolarHBondContact O-N 3.17Å; D70-T291 PolarHBondContact OD1-N 3.29Å; D70-T291 VanDerWaalsContact OD2-CB 3.23Å; D70-T291 WeakPolarHBondContact OD2-CB 3.22Å; D70-T291 WeakPolarHBondContact OD2-CG2 3.3Å; D70-T291 PolarHBondContact OD2-N 2.75Å; D70-T291 PolarHBondContact OD2-OG1 3.25Å; D70-L333 HydrophobicContact CB-CD2 3.94Å
71	V	98.7	Very high	98.2	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.012	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-1.7	-176.1	-55.5	0	0	0	0	113.3	I69 H142 F231 T288 V290 P373 L377	I69-V71 HydrophobicContact CG2-CG1 4.27Å; V71-H142 PolarHBondContact O-ND1 2.82Å; V71-F231 HydrophobicContact CG2-CZ 4.25Å; V71-T288 HydrophobicContact CG2-CG2 4.13Å; V71-V290 HydrophobicContact CG2-CG1 3.51Å; V71-P373 HydrophobicContact CG1-CB 3.72Å; V71-L377 HydrophobicContact CG1-CD1 3.65Å; V71-L377 HydrophobicContact CG1-CG 4.06Å
72	Q	98.8	Very high	98.3	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	91.1	179.4	-165.9	171.7	2.8	0	0	111.1	D70 T110 E144 H234 V290 D292	D70-Q72 VanDerWaalsContact C-N 3.3Å; D70-Q72 PolarHBondContact OD1-N 3.47Å; Q72-T110 WeakPolarHBondContact CA-OG1 3.45Å; Q72-T110 HydrophobicContact CG-CG2 4.2Å; Q72-E144 PolarHBondContact NE2-OE1 2.81Å; Q72-E144 PolarHBondContact NE2-OE2 3.41Å; Q72-H234 PolarHBondContact NE2-CD2 3.3Å; Q72-H234 VanDerWaalsContact NE2-CD2 3.32Å; Q72-V290 HydrophobicContact CB-CB 3.97Å; Q72-V290 HydrophobicContact CB-CG1 3.99Å; Q72-V290 HydrophobicContact CB-CG2 4.44Å; Q72-D292 HydrophobicContact CG-CB 4.48Å; Q72-D292 PolarHBondContact NE2-OD1 2.82Å; Q72-D292 VanDerWaalsContact O-CA 3.3Å; Q72-D292 WeakPolarHBondContact O-CA 3.47Å; Q72-D292 PolarHBondContact O-N 3.37Å; Q72-D292 VanDerWaalsContact O-N 3.1Å
73	V	98.8	Very high	98.1	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	101.9	178.2	-177.8	0	0	0	0	108.3	D70 F81 F107 C108 P109 T110	D70-V73 HydrophobicContact CB-CG2 3.65Å; V73-F81 HydrophobicContact CB-CE2 4.47Å; V73-F81 HydrophobicContact CG1-CD2 4.4Å; V73-F81 HydrophobicContact CG1-CE2 3.72Å; V73-F81 WeakPolarHBondContact O-CD2 3.06Å; V73-F107 HydrophobicContact CB-CD2 4.07Å; V73-F107 HydrophobicContact CG1-CD2 4.18Å; V73-F107 HydrophobicContact CG2-CB 3.94Å; V73-F107 HydrophobicContact CG2-CD2 4.16Å; V73-F107 HydrophobicContact CG2-CG 4.48Å; V73-C108 PolarHBondContact N-O 2.7Å; V73-P109 CarbonylContact O-C 3.57Å; V73-P109 WeakPolarHBondContact O-CA 3.37Å; V73-T110 PolarHBondContact N-OG1 3.12Å; V73-T110 PolarHBondContact O-N 2.98Å
74	N	98.6	Very high	97.6	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	6%	0.056	C	C	.	.			trans	-80	-27.2	-179.2	-54.9	-73.3	0	0	0	113.1	F81 T110 I112 D292 C293 F306	N74-F81 WeakPolarHBondContact O-CB 3.36Å; N74-F81 WeakPolarHBondContact O-CD2 3.42Å; N74-F81 PolarHBondContact O-N 3.33Å; N74-T110 WeakPolarHBondContact OD1-CB 3.27Å; N74-T110 WeakPolarHBondContact OD1-CG2 3.49Å; N74-I112 VanDerWaalsContact OD1-CG2 3.3Å; N74-I112 WeakPolarHBondContact OD1-CG2 3.08Å; N74-D292 PolarHBondContact ND2-O 2.84Å; N74-D292 PolarHBondContact ND2-OD1 2.75Å; N74-C293 WeakPolarHBondContact CA-O 3.18Å; N74-C293 VanDerWaalsContact CB-O 3.31Å; N74-C293 WeakPolarHBondContact CB-O 3.43Å; N74-C293 PolarHBondContact N-O 2.98Å; N74-F306 HydrophobicContact CB-CE1 4.13Å; N74-F306 HydrophobicContact CB-CE2 3.54Å; N74-F306 HydrophobicContact CB-CZ 3.21Å
75	G	98.2	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	172.1	175.9	0	0	0	0	0	111.5	Y79 C293 N294	G75-Y79 CarbonylContact C-O 3.45Å; G75-Y79 WeakPolarHBondContact CA-O 3.49Å; G75-C293 PolarHBondContact N-O 3.11Å; G75-C293 CarbonylContact O-C 3.57Å; G75-C293 PolarHBondContact O-SG 3.29Å; G75-C293 VanDerWaalsContact O-SG 3.34Å; G75-N294 VanDerWaalsContact C-C 3.41Å; G75-N294 CarbonylContact C-O 3.56Å; G75-N294 VanDerWaalsContact C-O 3.25Å; G75-N294 CarbonylContact O-C 3.57Å; G75-N294 VanDerWaalsContact O-C 3.28Å
76	A	98.6	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	155.3	171.5	0	0	0	0	0	111.5	G78 Y79 V95 T295 F297	A76-G78 PolarHBondContact O-N 3.43Å; A76-G78 VanDerWaalsContact O-N 3.13Å; A76-Y79 PolarHBondContact N-O 3.38Å; A76-Y79 WeakPolarHBondContact O-CB 3.46Å; A76-Y79 PolarHBondContact O-N 3.47Å; A76-V95 HydrophobicContact CB-CG1 3.94Å; A76-V95 HydrophobicContact CB-CG2 4.18Å; A76-T295 CarbonylContact C-O 3.56Å; A76-F297 HydrophobicContact CB-CB 4.09Å; A76-F297 HydrophobicContact CB-CD1 3.83Å; A76-F297 HydrophobicContact CB-CG 4.35Å
77	Y	98.1	Very high	96.8	Very high	21 Å²	21	23 Å²	23	8%	0.082	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.9	172.1	-51.8	-71.5	0	0	0	114.5	Y79 K98 L99 Q101 T295 F297	Y77-Y79 WeakPolarHBondContact O-CD2 3.18Å; Y77-Y79 WeakPolarHBondContact O-CE2 3.37Å; Y77-K98 HydrophobicContact CD1-CD 3.9Å; Y77-K98 HydrophobicContact CD2-CB 3.73Å; Y77-K98 HydrophobicContact CD2-CD 3.8Å; Y77-K98 HydrophobicContact CD2-CG 4.42Å; Y77-K98 HydrophobicContact CE1-CB 4.19Å; Y77-K98 HydrophobicContact CE1-CD 4.29Å; Y77-K98 HydrophobicContact CE2-CB 3.34Å; Y77-K98 HydrophobicContact CE2-CD 4.23Å; Y77-K98 HydrophobicContact CE2-CG 4.43Å; Y77-K98 HydrophobicContact CG-CB 4.31Å; Y77-K98 HydrophobicContact CG-CD 3.63Å; Y77-L99 HydrophobicContact CE2-CD2 4.44Å; Y77-Q101 PolarHBondContact OH-NE2 2.87Å; Y77-T295 PolarHBondContact N-O 3.41Å; Y77-F297 WeakPolarHBondContact CA-O 3.48Å; Y77-F297 HydrophobicContact CE1-CD1 4.49Å; Y77-F297 HydrophobicContact CE2-CD1 4.26Å; Y77-F297 HydrophobicContact CE2-CE1 4.33Å; Y77-F297 AromaticContact CZ-CE1 3.95Å; Y77-F297 PolarHBondContact N-O 3.23Å
78	G	97.6	Very high	96.7	Very high	36 Å²	36	23.9 Å²	23.9	37%	0.371	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	5.5	-179.3	0	0	0	0	0	114.5	A76 T295	A76-G78 PolarHBondContact O-N 3.43Å; A76-G78 VanDerWaalsContact O-N 3.13Å; G78-T295 WeakPolarHBondContact CA-O 3.38Å; G78-T295 VanDerWaalsContact CA-OG1 3.29Å; G78-T295 WeakPolarHBondContact CA-OG1 3.24Å; G78-T295 PolarHBondContact N-O 3.04Å; G78-T295 PolarHBondContact O-OG1 2.96Å
79	Y	98.2	Very high	96.5	Very high	51 Å²	51	29.5 Å²	29.5	20%	0.2	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.7	177.6	-57.3	-81.9	0	0	0	111.2	G75 A76 Y77 V91 Q94 V95 T295	G75-Y79 CarbonylContact C-O 3.45Å; G75-Y79 WeakPolarHBondContact CA-O 3.49Å; A76-Y79 PolarHBondContact N-O 3.38Å; A76-Y79 WeakPolarHBondContact O-CB 3.46Å; A76-Y79 PolarHBondContact O-N 3.47Å; Y77-Y79 WeakPolarHBondContact O-CD2 3.18Å; Y77-Y79 WeakPolarHBondContact O-CE2 3.37Å; Y79-V91 HydrophobicContact CD1-CB 4.36Å; Y79-V91 HydrophobicContact CD1-CG2 3.78Å; Y79-V91 HydrophobicContact CG-CG1 4.45Å; Y79-V91 HydrophobicContact CG-CG2 4.42Å; Y79-Q94 HydrophobicContact CD2-CB 3.97Å; Y79-Q94 HydrophobicContact CE1-CB 4.45Å; Y79-Q94 HydrophobicContact CE1-CG 4.33Å; Y79-Q94 HydrophobicContact CE2-CB 3.43Å; Y79-Q94 VanDerWaalsContact CE2-CB 3.43Å; Y79-Q94 HydrophobicContact CE2-CG 3.93Å; Y79-Q94 WeakPolarHBondContact OH-CG 3.26Å; Y79-V95 HydrophobicContact CD2-CG2 4.21Å; Y79-V95 HydrophobicContact CG-CG2 4.49Å; Y79-T295 PolarHBondContact N-OG1 2.87Å
80	D	97.3	Very high	96.5	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.032	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123	177.1	179	-8.5	0	0	0	109	S82 N83 Q86 G307	D80-S82 PolarHBondContact O-N 3.27Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 3.19Å; D80-N83 HydrophobicContact CB-CB 4.01Å; D80-N83 PolarHBondContact O-N 3.46Å; D80-Q86 PolarHBondContact O-OE1 2.87Å; D80-Q86 VanDerWaalsContact O-OE1 3.1Å; D80-G307 PolarHBondContact OD2-N 3.05Å
81	F	97.8	Very high	96.4	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.2	-178.4	-71.1	-58.4	0	0	0	113.3	V73 N74 V91 V95 F107 P109 I111 Y126	V73-F81 HydrophobicContact CB-CE2 4.47Å; V73-F81 HydrophobicContact CG1-CD2 4.4Å; V73-F81 HydrophobicContact CG1-CE2 3.72Å; V73-F81 WeakPolarHBondContact O-CD2 3.06Å; N74-F81 WeakPolarHBondContact O-CB 3.36Å; N74-F81 WeakPolarHBondContact O-CD2 3.42Å; N74-F81 PolarHBondContact O-N 3.33Å; F81-V91 HydrophobicContact CD1-CG1 3.54Å; F81-V91 HydrophobicContact CE1-CG1 3.5Å; F81-V95 HydrophobicContact CE1-CG2 4.39Å; F81-V95 HydrophobicContact CE2-CG1 4.33Å; F81-V95 HydrophobicContact CZ-CB 3.86Å; F81-V95 HydrophobicContact CZ-CG1 3.81Å; F81-V95 HydrophobicContact CZ-CG2 3.82Å; F81-F107 HydrophobicContact CE1-CE2 4.36Å; F81-F107 AromaticContact CE2-CE2 3.95Å; F81-F107 HydrophobicContact CE2-CE2 3.95Å; F81-F107 AromaticContact CZ-CE2 3.54Å; F81-F107 HydrophobicContact CZ-CE2 3.54Å; F81-F107 HydrophobicContact CZ-CZ 4.19Å; F81-P109 HydrophobicContact CB-CB 4.06Å; F81-P109 HydrophobicContact CD1-CB 3.77Å; F81-P109 HydrophobicContact CD1-CG 4.24Å; F81-P109 HydrophobicContact CD2-CB 3.92Å; F81-P109 HydrophobicContact CE1-CB 4.13Å; F81-P109 HydrophobicContact CE1-CG 4.12Å; F81-P109 HydrophobicContact CE2-CB 4.3Å; F81-P109 HydrophobicContact CG-CB 3.65Å; F81-P109 HydrophobicContact CZ-CB 4.4Å; F81-P109 HydrophobicContact CZ-CG 4.32Å; F81-I111 HydrophobicContact CB-CD1 4.09Å; F81-I111 WeakPolarHBondContact O-CD1 3.47Å; F81-Y126 VanDerWaalsContact CA-OH 3.27Å; F81-Y126 WeakPolarHBondContact CA-OH 3.48Å; F81-Y126 WeakPolarHBondContact CB-OH 3.32Å; F81-Y126 HydrophobicContact CD1-CE1 4.21Å; F81-Y126 VanDerWaalsContact CD1-OH 3.24Å; F81-Y126 WeakPolarHBondContact CD1-OH 3.02Å; F81-Y126 PolarHBondContact O-OH 3.11Å
82	S	96.4	Very high	96.4	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.7	178	-52.8	0	0	0	0	113	D80 P84 I111 I112	D80-S82 PolarHBondContact O-N 3.27Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 3.19Å; S82-P84 VanDerWaalsContact O-CD 3.28Å; S82-P84 WeakPolarHBondContact O-CD 3.37Å; S82-I111 WeakPolarHBondContact OG-CA 3.27Å; S82-I112 WeakPolarHBondContact OG-CG1 3.14Å; S82-I112 PolarHBondContact OG-N 3Å
83	N	94.1	Very high	96.3	Very high	50 Å²	50	32.9 Å²	32.9	27%	0.267	18%	0.176	S	C	.	.			trans	-78.2	112.3	-175.8	-175.3	-16.9	0	0	0	111.6	D80 D85 Q86	D80-N83 HydrophobicContact CB-CB 4.01Å; D80-N83 PolarHBondContact O-N 3.46Å; N83-D85 PolarHBondContact O-N 2.93Å; N83-D85 WeakPolarHBondContact OD1-CB 3.18Å; N83-D85 PolarHBondContact OD1-N 2.9Å; N83-Q86 HydrophobicContact CB-CG 3.94Å; N83-Q86 PolarHBondContact O-N 2.9Å
84	P	87.1	Confident	96.3	Very high	20 Å²	20	35.4 Å²	35.4	13%	0.13	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.8	-176.3	35.1	-40.7	0	0	0	113.6	S82 L118 K121 L122	S82-P84 VanDerWaalsContact O-CD 3.28Å; S82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-L118 HydrophobicContact CB-CD1 4.48Å; P84-L118 HydrophobicContact CB-CD2 3.83Å; P84-L118 HydrophobicContact CG-CD1 3.82Å; P84-L118 HydrophobicContact CG-CD2 3.67Å; P84-L118 HydrophobicContact CG-CG 4.28Å; P84-K121 HydrophobicContact CB-CD 4.18Å; P84-K121 WeakPolarHBondContact O-CE 3.08Å; P84-K121 PolarHBondContact O-NZ 3.32Å; P84-L122 HydrophobicContact CB-CD2 4.34Å
85	D	91.2	Very high	96.3	Very high	141 Å²	141	35.4 Å²	35.4	75%	0.754	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-12.4	-178.2	-63.4	-30.7	0	0	0	112.2	N83	N83-D85 PolarHBondContact O-N 2.93Å; N83-D85 WeakPolarHBondContact OD1-CB 3.18Å; N83-D85 PolarHBondContact OD1-N 2.9Å
86	Q	92.5	Very high	96.3	Very high	45 Å²	45	35.4 Å²	35.4	21%	0.21	19%	0.187	C	C	.	.	S	Bend	trans	-82.8	143.5	173.4	-56	-169.8	-100.4	0	0	110.8	D80 N83 I88 V91	D80-Q86 PolarHBondContact O-OE1 2.87Å; D80-Q86 VanDerWaalsContact O-OE1 3.1Å; N83-Q86 HydrophobicContact CB-CG 3.94Å; N83-Q86 PolarHBondContact O-N 2.9Å; Q86-I88 PolarHBondContact O-N 3.18Å; Q86-I88 VanDerWaalsContact O-N 3.09Å; Q86-V91 HydrophobicContact CB-CG2 3.48Å; Q86-V91 VanDerWaalsContact CB-CG2 3.48Å; Q86-V91 HydrophobicContact CG-CG2 4.34Å
87	D	95.5	Very high	96.3	Very high	99 Å²	99	41.2 Å²	41.2	53%	0.529	21%	0.214	S	C	.	.			trans	-68.2	106.5	168.2	174.3	6.4	0	0	0	109.4	E89 N90 V91	D87-E89 PolarHBondContact O-N 3.07Å; D87-E89 PolarHBondContact OD1-N 2.78Å; D87-N90 HydrophobicContact CB-CB 4.03Å; D87-N90 PolarHBondContact O-N 3.49Å; D87-N90 VanDerWaalsContact O-N 3.13Å; D87-V91 WeakPolarHBondContact O-CB 3.44Å; D87-V91 VanDerWaalsContact O-CG2 3.26Å; D87-V91 WeakPolarHBondContact O-CG2 3.4Å; D87-V91 PolarHBondContact O-N 2.59Å
88	I	95.6	Very high	96.3	Very high	20 Å²	20	43.8 Å²	43.8	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-55.8	-38.2	-177.3	-70	164.6	0	0	0	111.8	Q86 V91 C92 L122 Y126	Q86-I88 PolarHBondContact O-N 3.18Å; Q86-I88 VanDerWaalsContact O-N 3.09Å; I88-V91 PolarHBondContact O-N 2.74Å; I88-C92 WeakPolarHBondContact O-CB 3.35Å; I88-C92 PolarHBondContact O-N 3.09Å; I88-C92 PolarHBondContact O-SG 3.04Å; I88-L122 HydrophobicContact CD1-CD2 4.17Å; I88-Y126 HydrophobicContact CD1-CD2 4.49Å; I88-Y126 HydrophobicContact CD1-CE2 4.28Å; I88-Y126 HydrophobicContact CG1-CE2 4.48Å; I88-Y126 HydrophobicContact CG2-CD1 3.69Å; I88-Y126 HydrophobicContact CG2-CD2 4.31Å; I88-Y126 HydrophobicContact CG2-CE1 3.64Å; I88-Y126 HydrophobicContact CG2-CE2 4.24Å; I88-Y126 HydrophobicContact CG2-CG 4.02Å
89	E	96.5	Very high	96.4	Very high	118 Å²	118	42.2 Å²	42.2	55%	0.551	21%	0.209	S	C	*	.	H	α-helix	trans	-65.8	-47.6	179.1	-178.8	-178.8	167.5	0	0	110.4	D87 N93 Y129	D87-E89 PolarHBondContact O-N 3.07Å; D87-E89 PolarHBondContact OD1-N 2.78Å; E89-N93 WeakPolarHBondContact O-CB 3.39Å; E89-N93 PolarHBondContact O-N 3.15Å; E89-N93 PolarHBondContact O-ND2 3.2Å; E89-Y129 HydrophobicContact CB-CD2 4.42Å; E89-Y129 HydrophobicContact CG-CD2 4.14Å; E89-Y129 HydrophobicContact CG-CE2 4.28Å
90	N	97.4	Very high	96.4	Very high	65 Å²	65	40 Å²	40	35%	0.348	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-45.9	176.5	178.5	63.6	0	0	0	111.7	D87 C92 N93 Q94	D87-N90 HydrophobicContact CB-CB 4.03Å; D87-N90 PolarHBondContact O-N 3.49Å; D87-N90 VanDerWaalsContact O-N 3.13Å; N90-C92 PolarHBondContact O-N 3.4Å; N90-N93 PolarHBondContact O-N 3.17Å; N90-Q94 WeakPolarHBondContact O-CB 3.35Å; N90-Q94 WeakPolarHBondContact O-CG 3.41Å; N90-Q94 PolarHBondContact O-N 3.16Å
91	V	97.6	Very high	96.4	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-55.4	-53.2	176.8	166.2	0	0	0	0	111	Y79 F81 Q86 D87 I88 N93 Q94 V95	Y79-V91 HydrophobicContact CD1-CB 4.36Å; Y79-V91 HydrophobicContact CD1-CG2 3.78Å; Y79-V91 HydrophobicContact CG-CG1 4.45Å; Y79-V91 HydrophobicContact CG-CG2 4.42Å; F81-V91 HydrophobicContact CD1-CG1 3.54Å; F81-V91 HydrophobicContact CE1-CG1 3.5Å; Q86-V91 HydrophobicContact CB-CG2 3.48Å; Q86-V91 VanDerWaalsContact CB-CG2 3.48Å; Q86-V91 HydrophobicContact CG-CG2 4.34Å; D87-V91 WeakPolarHBondContact O-CB 3.44Å; D87-V91 VanDerWaalsContact O-CG2 3.26Å; D87-V91 WeakPolarHBondContact O-CG2 3.4Å; D87-V91 PolarHBondContact O-N 2.59Å; I88-V91 PolarHBondContact O-N 2.74Å; V91-N93 VanDerWaalsContact C-N 3.31Å; V91-N93 PolarHBondContact O-N 2.93Å; V91-Q94 PolarHBondContact O-N 2.62Å; V91-V95 WeakPolarHBondContact O-CG2 3.41Å; V91-V95 PolarHBondContact O-N 3.09Å; V91-V95 VanDerWaalsContact O-N 3.09Å
92	C	98.2	Very high	96.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-44.9	178.9	-70.5	0	0	0	0	111.3	I88 N90 A96 Y126 Y129 V138	I88-C92 WeakPolarHBondContact O-CB 3.35Å; I88-C92 PolarHBondContact O-N 3.09Å; I88-C92 PolarHBondContact O-SG 3.04Å; N90-C92 PolarHBondContact O-N 3.4Å; C92-A96 WeakPolarHBondContact O-CB 3.4Å; C92-A96 PolarHBondContact O-N 2.66Å; C92-Y126 VanDerWaalsContact SG-CE1 3.51Å; C92-Y129 HydrophobicContact CB-CD1 4.14Å; C92-Y129 HydrophobicContact CB-CD2 3.74Å; C92-Y129 HydrophobicContact CB-CE1 3.83Å; C92-Y129 HydrophobicContact CB-CE2 3.4Å; C92-Y129 VanDerWaalsContact CB-CE2 3.4Å; C92-Y129 HydrophobicContact CB-CG 4.1Å; C92-Y129 VanDerWaalsContact CB-CZ 3.46Å; C92-V138 HydrophobicContact CB-CG2 4.29Å
93	N	98.1	Very high	96.6	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-45.7	179.4	-73.6	-30.6	0	0	0	112.7	E89 N90 V91 V95 A96 E97 Y129 K132	E89-N93 WeakPolarHBondContact O-CB 3.39Å; E89-N93 PolarHBondContact O-N 3.15Å; E89-N93 PolarHBondContact O-ND2 3.2Å; N90-N93 PolarHBondContact O-N 3.17Å; V91-N93 VanDerWaalsContact C-N 3.31Å; V91-N93 PolarHBondContact O-N 2.93Å; N93-V95 PolarHBondContact O-N 3.05Å; N93-A96 PolarHBondContact O-N 2.93Å; N93-E97 VanDerWaalsContact O-CB 3.3Å; N93-E97 WeakPolarHBondContact O-CB 3.4Å; N93-E97 PolarHBondContact O-N 2.8Å; N93-Y129 WeakPolarHBondContact OD1-CE2 3.4Å; N93-Y129 PolarHBondContact OD1-OH 3.09Å; N93-K132 HydrophobicContact CB-CD 4.22Å; N93-K132 VanDerWaalsContact ND2-CE 3.3Å; N93-K132 WeakPolarHBondContact ND2-CE 3.38Å; N93-K132 VanDerWaalsContact OD1-CD 3.29Å; N93-K132 WeakPolarHBondContact OD1-CD 3.44Å; N93-K132 WeakPolarHBondContact OD1-CE 3.46Å; N93-K132 WeakPolarHBondContact OD1-CG 3.45Å
94	Q	98.3	Very high	96.8	Very high	54 Å²	54	42 Å²	42	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-65	-39.9	-178.1	-69.6	-71.1	-20.5	0	0	112.1	Y79 N90 V91 K98	Y79-Q94 HydrophobicContact CD2-CB 3.97Å; Y79-Q94 HydrophobicContact CE1-CB 4.45Å; Y79-Q94 HydrophobicContact CE1-CG 4.33Å; Y79-Q94 HydrophobicContact CE2-CB 3.43Å; Y79-Q94 VanDerWaalsContact CE2-CB 3.43Å; Y79-Q94 HydrophobicContact CE2-CG 3.93Å; Y79-Q94 WeakPolarHBondContact OH-CG 3.26Å; N90-Q94 WeakPolarHBondContact O-CB 3.35Å; N90-Q94 WeakPolarHBondContact O-CG 3.41Å; N90-Q94 PolarHBondContact O-N 3.16Å; V91-Q94 PolarHBondContact O-N 2.62Å; Q94-K98 WeakPolarHBondContact O-CG 3.2Å
95	V	98.6	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-73.1	-46.5	176.5	176.3	0	0	0	0	110.7	A76 Y79 F81 V91 N93 E97 K98 L99 F107	A76-V95 HydrophobicContact CB-CG1 3.94Å; A76-V95 HydrophobicContact CB-CG2 4.18Å; Y79-V95 HydrophobicContact CD2-CG2 4.21Å; Y79-V95 HydrophobicContact CG-CG2 4.49Å; F81-V95 HydrophobicContact CE1-CG2 4.39Å; F81-V95 HydrophobicContact CE2-CG1 4.33Å; F81-V95 HydrophobicContact CZ-CB 3.86Å; F81-V95 HydrophobicContact CZ-CG1 3.81Å; F81-V95 HydrophobicContact CZ-CG2 3.82Å; V91-V95 WeakPolarHBondContact O-CG2 3.41Å; V91-V95 PolarHBondContact O-N 3.09Å; V91-V95 VanDerWaalsContact O-N 3.09Å; N93-V95 PolarHBondContact O-N 3.05Å; V95-E97 VanDerWaalsContact C-N 3.28Å; V95-E97 PolarHBondContact O-N 3.42Å; V95-K98 PolarHBondContact O-N 3.32Å; V95-K98 VanDerWaalsContact O-N 3.11Å; V95-L99 HydrophobicContact CG1-CD1 3.63Å; V95-L99 HydrophobicContact CG1-CG 3.82Å; V95-L99 WeakPolarHBondContact O-CG 3.18Å; V95-L99 PolarHBondContact O-N 2.91Å; V95-F107 HydrophobicContact CG1-CE2 4.2Å; V95-F107 HydrophobicContact CG1-CZ 4.12Å
96	A	98.5	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-33.3	-178.4	0	0	0	0	0	113.7	C92 N93 P100 F107 C135 S136	C92-A96 WeakPolarHBondContact O-CB 3.4Å; C92-A96 PolarHBondContact O-N 2.66Å; N93-A96 PolarHBondContact O-N 2.93Å; A96-P100 VanDerWaalsContact O-CD 3.24Å; A96-P100 WeakPolarHBondContact O-CD 3.45Å; A96-F107 HydrophobicContact CB-CE1 4.1Å; A96-F107 HydrophobicContact CB-CZ 4.44Å; A96-C135 HydrophobicContact CB-CB 4.02Å; A96-S136 VanDerWaalsContact CB-O 3.28Å; A96-S136 WeakPolarHBondContact CB-O 3.49Å; A96-S136 WeakPolarHBondContact O-CB 3.44Å; A96-S136 PolarHBondContact O-N 2.8Å; A96-S136 PolarHBondContact O-OG 3.48Å
97	E	98.1	Very high	98	Very high	123 Å²	123	32.4 Å²	32.4	58%	0.575	16%	0.158	S	C	*	.	H	α-helix	trans	-71.3	-31.5	177	-175.9	171.4	-174.2	0	0	112.4	N93 V95 P100	N93-E97 VanDerWaalsContact O-CB 3.3Å; N93-E97 WeakPolarHBondContact O-CB 3.4Å; N93-E97 PolarHBondContact O-N 2.8Å; V95-E97 VanDerWaalsContact C-N 3.28Å; V95-E97 PolarHBondContact O-N 3.42Å; E97-P100 WeakPolarHBondContact O-CD 3.49Å
98	K	98.5	Very high	98.1	Very high	74 Å²	74	27.7 Å²	27.7	32%	0.322	13%	0.133	S	C	.	.	H	α-helix	trans	-93.9	-33.6	-174.6	-68.7	177.1	-174.1	173.5	0	113.7	Y77 Q94 V95 P100 Q101	Y77-K98 HydrophobicContact CD1-CD 3.9Å; Y77-K98 HydrophobicContact CD2-CB 3.73Å; Y77-K98 HydrophobicContact CD2-CD 3.8Å; Y77-K98 HydrophobicContact CD2-CG 4.42Å; Y77-K98 HydrophobicContact CE1-CB 4.19Å; Y77-K98 HydrophobicContact CE1-CD 4.29Å; Y77-K98 HydrophobicContact CE2-CB 3.34Å; Y77-K98 HydrophobicContact CE2-CD 4.23Å; Y77-K98 HydrophobicContact CE2-CG 4.43Å; Y77-K98 HydrophobicContact CG-CB 4.31Å; Y77-K98 HydrophobicContact CG-CD 3.63Å; Q94-K98 WeakPolarHBondContact O-CG 3.2Å; V95-K98 PolarHBondContact O-N 3.32Å; V95-K98 VanDerWaalsContact O-N 3.11Å; K98-P100 VanDerWaalsContact C-N 3.3Å; K98-Q101 WeakPolarHBondContact O-CB 3.25Å; K98-Q101 VanDerWaalsContact O-CD 3.32Å; K98-Q101 WeakPolarHBondContact O-CG 3.37Å; K98-Q101 PolarHBondContact O-N 2.88Å; K98-Q101 VanDerWaalsContact O-N 3.14Å; K98-Q101 PolarHBondContact O-NE2 2.95Å; K98-Q101 VanDerWaalsContact O-NE2 3.17Å
99	L	98.7	Very high	98.3	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-52.9	-32.5	179.4	-81.3	178.2	0	0	0	115.8	Y77 V95 Q101 T102 V104 F107 S136 F297	Y77-L99 HydrophobicContact CE2-CD2 4.44Å; V95-L99 HydrophobicContact CG1-CD1 3.63Å; V95-L99 HydrophobicContact CG1-CG 3.82Å; V95-L99 WeakPolarHBondContact O-CG 3.18Å; V95-L99 PolarHBondContact O-N 2.91Å; L99-Q101 PolarHBondContact O-N 3.22Å; L99-T102 PolarHBondContact O-N 2.8Å; L99-T102 PolarHBondContact O-OG1 3.32Å; L99-V104 CarbonylContact C-O 3.6Å; L99-V104 HydrophobicContact CB-CB 4.19Å; L99-V104 HydrophobicContact CB-CG1 4.36Å; L99-V104 HydrophobicContact CD1-CG1 4.13Å; L99-V104 HydrophobicContact CD2-CB 4.44Å; L99-F107 HydrophobicContact CD1-CB 4.31Å; L99-F107 HydrophobicContact CD1-CD1 3.49Å; L99-F107 VanDerWaalsContact CD1-CD1 3.49Å; L99-F107 HydrophobicContact CD1-CD2 4.06Å; L99-F107 HydrophobicContact CD1-CE1 3.71Å; L99-F107 HydrophobicContact CD1-CE2 4.24Å; L99-F107 HydrophobicContact CD1-CG 3.69Å; L99-F107 HydrophobicContact CD1-CZ 4.07Å; L99-S136 WeakPolarHBondContact CB-OG 3.23Å; L99-F297 HydrophobicContact CD2-CE1 4.18Å
100	P	98.5	Very high	98.4	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.019	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-59	-23.4	178.1	-26.5	36.4	0	0	0	114.1	A96 E97 K98 T102 G103 V104 S136 T431 I433 V438	A96-P100 VanDerWaalsContact O-CD 3.24Å; A96-P100 WeakPolarHBondContact O-CD 3.45Å; E97-P100 WeakPolarHBondContact O-CD 3.49Å; K98-P100 VanDerWaalsContact C-N 3.3Å; P100-T102 PolarHBondContact O-N 3.28Å; P100-G103 PolarHBondContact O-N 3.14Å; P100-G103 VanDerWaalsContact O-N 3.15Å; P100-V104 WeakPolarHBondContact CA-O 3.37Å; P100-S136 VanDerWaalsContact CD-OG 3.32Å; P100-S136 WeakPolarHBondContact CD-OG 3.38Å; P100-S136 WeakPolarHBondContact CG-OG 3.46Å; P100-T431 HydrophobicContact CB-CG2 3.89Å; P100-T431 WeakPolarHBondContact O-CB 3.47Å; P100-T431 PolarHBondContact O-OG1 3.05Å; P100-I433 HydrophobicContact CB-CD1 4.4Å; P100-I433 HydrophobicContact CG-CD1 3.88Å; P100-V438 HydrophobicContact CB-CG2 3.54Å; P100-V438 HydrophobicContact CG-CG2 4.05Å
101	Q	97.8	Very high	98.4	Very high	86 Å²	86	18.1 Å²	18.1	40%	0.402	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-68.3	-10.5	174.3	84.5	-163.2	-38	0	0	113.9	Y77 K98 L99 L428 Y439	Y77-Q101 PolarHBondContact OH-NE2 2.87Å; K98-Q101 WeakPolarHBondContact O-CB 3.25Å; K98-Q101 VanDerWaalsContact O-CD 3.32Å; K98-Q101 WeakPolarHBondContact O-CG 3.37Å; K98-Q101 PolarHBondContact O-N 2.88Å; K98-Q101 VanDerWaalsContact O-N 3.14Å; K98-Q101 PolarHBondContact O-NE2 2.95Å; K98-Q101 VanDerWaalsContact O-NE2 3.17Å; L99-Q101 PolarHBondContact O-N 3.22Å; Q101-L428 WeakPolarHBondContact O-CD2 3.23Å; Q101-Y439 HydrophobicContact CB-CD2 3.5Å; Q101-Y439 VanDerWaalsContact CB-CD2 3.5Å; Q101-Y439 HydrophobicContact CB-CE2 3.49Å; Q101-Y439 VanDerWaalsContact CB-CE2 3.49Å; Q101-Y439 HydrophobicContact CB-CG 4.09Å
102	T	98.3	Very high	98.4	Very high	16 Å²	16	18.2 Å²	18.2	10%	0.098	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-109.2	2.5	176.3	74.7	0	0	0	0	112.4	L99 P100 V104 F297	L99-T102 PolarHBondContact O-N 2.8Å; L99-T102 PolarHBondContact O-OG1 3.32Å; P100-T102 PolarHBondContact O-N 3.28Å; T102-V104 VanDerWaalsContact C-N 3.32Å; T102-F297 HydrophobicContact CG2-CE1 4.06Å; T102-F297 HydrophobicContact CG2-CZ 3.91Å
103	G	98.7	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-3.5	-179.6	0	0	0	0	0	114.4	L68 P100 T105 I411	L68-G103 WeakPolarHBondContact CB-O 3.4Å; L68-G103 WeakPolarHBondContact CG-O 3.42Å; L68-G103 PolarHBondContact N-O 2.95Å; L68-G103 VanDerWaalsContact N-O 3.12Å; P100-G103 PolarHBondContact O-N 3.14Å; P100-G103 VanDerWaalsContact O-N 3.15Å; G103-T105 PolarHBondContact O-N 3.44Å; G103-I411 VanDerWaalsContact O-CG2 3.29Å; G103-I411 WeakPolarHBondContact O-CG2 3.4Å
104	V	98.9	Very high	98.2	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.4	174.7	177.5	0	0	0	0	109.2	L68 D70 L99 P100 T102 A106 F107 S136 L333	L68-V104 HydrophobicContact CB-CG2 4.43Å; L68-V104 WeakPolarHBondContact O-CA 3.4Å; D70-V104 HydrophobicContact CB-CG1 4.46Å; L99-V104 CarbonylContact C-O 3.6Å; L99-V104 HydrophobicContact CB-CB 4.19Å; L99-V104 HydrophobicContact CB-CG1 4.36Å; L99-V104 HydrophobicContact CD1-CG1 4.13Å; L99-V104 HydrophobicContact CD2-CB 4.44Å; P100-V104 WeakPolarHBondContact CA-O 3.37Å; T102-V104 VanDerWaalsContact C-N 3.32Å; V104-A106 VanDerWaalsContact CG1-O 3.3Å; V104-A106 WeakPolarHBondContact CG1-O 3.39Å; V104-F107 HydrophobicContact CG1-CB 4.22Å; V104-S136 PolarHBondContact O-OG 3.22Å; V104-L333 HydrophobicContact CG2-CB 4.05Å; V104-L333 HydrophobicContact CG2-CD2 4.13Å
105	T	98.7	Very high	98	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-15.2	177.3	60.7	0	0	0	0	112.5	G67 L68 G103 S136 K137 T431 I433	G67-T105 VanDerWaalsContact CA-OG1 3.26Å; G67-T105 WeakPolarHBondContact CA-OG1 3.32Å; L68-T105 PolarHBondContact O-N 3.22Å; L68-T105 PolarHBondContact O-OG1 3.07Å; G103-T105 PolarHBondContact O-N 3.44Å; T105-S136 CarbonylContact O-C 3.59Å; T105-S136 VanDerWaalsContact O-CA 3.24Å; T105-S136 WeakPolarHBondContact O-CA 3.42Å; T105-K137 PolarHBondContact O-N 2.85Å; T105-T431 HydrophobicContact CG2-CG2 3.62Å; T105-I433 HydrophobicContact CG2-CD1 4.24Å; T105-I433 HydrophobicContact CG2-CG1 3.89Å
106	A	98.6	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	151.3	174.3	0	0	0	0	0	110.7	L68 I69 D70 V104 K137 L139	L68-A106 PolarHBondContact O-N 3.48Å; I69-A106 VanDerWaalsContact CA-O 3.29Å; I69-A106 WeakPolarHBondContact CA-O 3.35Å; I69-A106 HydrophobicContact CG1-CB 4.24Å; I69-A106 HydrophobicContact CG2-CB 4.47Å; D70-A106 PolarHBondContact N-O 2.77Å; D70-A106 VanDerWaalsContact N-O 3.08Å; V104-A106 VanDerWaalsContact CG1-O 3.3Å; V104-A106 WeakPolarHBondContact CG1-O 3.39Å; A106-K137 CarbonylContact C-O 3.52Å; A106-K137 WeakPolarHBondContact CA-O 3.34Å; A106-K137 HydrophobicContact CB-CB 4.03Å; A106-L139 HydrophobicContact CB-CD1 3.85Å; A106-L139 HydrophobicContact CB-CD2 3.92Å; A106-L139 HydrophobicContact CB-CG 3.86Å
107	F	98.8	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	165.8	-177.7	69.7	-73	0	0	0	113	D70 V73 F81 V95 A96 L99 V104 P109 K137 V138 L139	D70-F107 HydrophobicContact CB-CB 4.3Å; D70-F107 CarbonylContact O-C 3.54Å; D70-F107 WeakPolarHBondContact O-CA 3.4Å; D70-F107 WeakPolarHBondContact O-CB 3.28Å; V73-F107 HydrophobicContact CB-CD2 4.07Å; V73-F107 HydrophobicContact CG1-CD2 4.18Å; V73-F107 HydrophobicContact CG2-CB 3.94Å; V73-F107 HydrophobicContact CG2-CD2 4.16Å; V73-F107 HydrophobicContact CG2-CG 4.48Å; F81-F107 HydrophobicContact CE1-CE2 4.36Å; F81-F107 AromaticContact CE2-CE2 3.95Å; F81-F107 HydrophobicContact CE2-CE2 3.95Å; F81-F107 AromaticContact CZ-CE2 3.54Å; F81-F107 HydrophobicContact CZ-CE2 3.54Å; F81-F107 HydrophobicContact CZ-CZ 4.19Å; V95-F107 HydrophobicContact CG1-CE2 4.2Å; V95-F107 HydrophobicContact CG1-CZ 4.12Å; A96-F107 HydrophobicContact CB-CE1 4.1Å; A96-F107 HydrophobicContact CB-CZ 4.44Å; L99-F107 HydrophobicContact CD1-CB 4.31Å; L99-F107 HydrophobicContact CD1-CD1 3.49Å; L99-F107 VanDerWaalsContact CD1-CD1 3.49Å; L99-F107 HydrophobicContact CD1-CD2 4.06Å; L99-F107 HydrophobicContact CD1-CE1 3.71Å; L99-F107 HydrophobicContact CD1-CE2 4.24Å; L99-F107 HydrophobicContact CD1-CG 3.69Å; L99-F107 HydrophobicContact CD1-CZ 4.07Å; V104-F107 HydrophobicContact CG1-CB 4.22Å; F107-P109 HydrophobicContact CD2-CG 4.27Å; F107-P109 HydrophobicContact CE2-CG 3.77Å; F107-K137 PolarHBondContact N-O 3.09Å; F107-V138 HydrophobicContact CE1-CG2 3.76Å; F107-V138 HydrophobicContact CE2-CG2 4.19Å; F107-V138 HydrophobicContact CZ-CG2 3.5Å; F107-V138 VanDerWaalsContact CZ-CG2 3.5Å; F107-L139 PolarHBondContact O-N 2.91Å
108	C	98.8	Very high	97.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.5	170.7	-73.6	0	0	0	0	110.7	D70 V73 T110 G140 H142	D70-C108 PolarHBondContact O-N 3.17Å; V73-C108 PolarHBondContact N-O 2.7Å; C108-T110 PolarHBondContact O-N 3.33Å; C108-T110 PolarHBondContact O-OG1 2.65Å; C108-T110 VanDerWaalsContact O-OG1 3.13Å; C108-G140 WeakPolarHBondContact CA-O 3.48Å; C108-G140 PolarHBondContact SG-O 3.1Å; C108-G140 VanDerWaalsContact SG-O 3.38Å; C108-H142 HydrophobicContact CB-CB 4.25Å
109	P	98.6	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	125.8	161.5	-25.7	34	0	0	0	109.8	V73 F81 F107 Y126 V138 G140 I141 H142	V73-P109 CarbonylContact O-C 3.57Å; V73-P109 WeakPolarHBondContact O-CA 3.37Å; F81-P109 HydrophobicContact CB-CB 4.06Å; F81-P109 HydrophobicContact CD1-CB 3.77Å; F81-P109 HydrophobicContact CD1-CG 4.24Å; F81-P109 HydrophobicContact CD2-CB 3.92Å; F81-P109 HydrophobicContact CE1-CB 4.13Å; F81-P109 HydrophobicContact CE1-CG 4.12Å; F81-P109 HydrophobicContact CE2-CB 4.3Å; F81-P109 HydrophobicContact CG-CB 3.65Å; F81-P109 HydrophobicContact CZ-CB 4.4Å; F81-P109 HydrophobicContact CZ-CG 4.32Å; F107-P109 HydrophobicContact CD2-CG 4.27Å; F107-P109 HydrophobicContact CE2-CG 3.77Å; P109-Y126 HydrophobicContact CB-CD1 4.44Å; P109-Y126 HydrophobicContact CB-CE1 3.74Å; P109-Y126 HydrophobicContact CG-CD1 4.39Å; P109-Y126 HydrophobicContact CG-CE1 3.94Å; P109-V138 HydrophobicContact CG-CG1 3.81Å; P109-V138 HydrophobicContact CG-CG2 4.29Å; P109-G140 WeakPolarHBondContact CD-O 3.35Å; P109-I141 HydrophobicContact CB-CG2 4.26Å; P109-I141 VanDerWaalsContact O-CA 3.31Å; P109-I141 WeakPolarHBondContact O-CA 3.11Å; P109-H142 PolarHBondContact O-N 3.1Å
110	T	98.7	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.4	-176.7	-54.8	0	0	0	0	109.3	Q72 V73 N74 C108 H142 E144	Q72-T110 WeakPolarHBondContact CA-OG1 3.45Å; Q72-T110 HydrophobicContact CG-CG2 4.2Å; V73-T110 PolarHBondContact N-OG1 3.12Å; V73-T110 PolarHBondContact O-N 2.98Å; N74-T110 WeakPolarHBondContact OD1-CB 3.27Å; N74-T110 WeakPolarHBondContact OD1-CG2 3.49Å; C108-T110 PolarHBondContact O-N 3.33Å; C108-T110 PolarHBondContact O-OG1 2.65Å; C108-T110 VanDerWaalsContact O-OG1 3.13Å; T110-H142 CarbonylContact C-O 3.4Å; T110-H142 VanDerWaalsContact CA-O 3.24Å; T110-H142 WeakPolarHBondContact CA-O 3.44Å; T110-H142 HydrophobicContact CG2-CB 4.14Å; T110-E144 HydrophobicContact CG2-CB 3.81Å
111	I	97.7	Very high	96.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.2	-179.8	-48.9	-58.3	0	0	0	107.4	F81 S82 Y119 L122 Y126 H142 L143 E144	F81-I111 HydrophobicContact CB-CD1 4.09Å; F81-I111 WeakPolarHBondContact O-CD1 3.47Å; S82-I111 WeakPolarHBondContact OG-CA 3.27Å; I111-Y119 HydrophobicContact CG2-CD1 4.36Å; I111-Y119 HydrophobicContact CG2-CE1 4Å; I111-L122 HydrophobicContact CG2-CD1 3.8Å; I111-Y126 HydrophobicContact CD1-CE2 3.59Å; I111-Y126 HydrophobicContact CG1-CE2 4.43Å; I111-H142 PolarHBondContact N-O 3.32Å; I111-L143 HydrophobicContact CB-CD2 3.82Å; I111-L143 HydrophobicContact CG1-CD2 3.87Å; I111-L143 HydrophobicContact CG2-CD2 4.49Å; I111-E144 PolarHBondContact O-N 2.74Å
112	I	97.4	Very high	96.4	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	169.4	175.8	63.4	166.2	0	0	0	110.7	N74 S82 S114 E144 M155 F306	N74-I112 VanDerWaalsContact OD1-CG2 3.3Å; N74-I112 WeakPolarHBondContact OD1-CG2 3.08Å; S82-I112 WeakPolarHBondContact OG-CG1 3.14Å; S82-I112 PolarHBondContact OG-N 3Å; I112-S114 PolarHBondContact O-N 3.47Å; I112-S114 PolarHBondContact O-OG 2.93Å; I112-E144 CarbonylContact C-O 3.59Å; I112-M155 HydrophobicContact CD1-CE 3.89Å; I112-F306 HydrophobicContact CD1-CD2 4.19Å; I112-F306 HydrophobicContact CD1-CE2 3.65Å; I112-F306 HydrophobicContact CD1-CZ 3.88Å; I112-F306 HydrophobicContact CG1-CE2 4.16Å; I112-F306 HydrophobicContact CG1-CZ 4.49Å; I112-F306 HydrophobicContact CG2-CE2 4.25Å; I112-F306 HydrophobicContact CG2-CZ 3.87Å
113	T	96.9	Very high	96.3	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.043	12%	0.121	C	C	.	.	S	Bend	trans	-54.6	111.2	-179.3	-64.4	0	0	0	0	111.8	Y119 E144 P146 H156 I161	T113-Y119 WeakPolarHBondContact CA-OH 3.44Å; T113-E144 PolarHBondContact N-O 2.85Å; T113-E144 PolarHBondContact OG1-O 2.83Å; T113-P146 HydrophobicContact CG2-CB 3.89Å; T113-H156 VanDerWaalsContact CB-ND1 3.27Å; T113-H156 WeakPolarHBondContact CB-ND1 3.15Å; T113-H156 PolarHBondContact N-ND1 3.16Å; T113-H156 PolarHBondContact OG1-ND1 3.21Å; T113-I161 HydrophobicContact CG2-CG1 3.96Å
114	S	94.6	Very high	96.1	Very high	12 Å²	12	25.3 Å²	25.3	8%	0.084	13%	0.133	C	C	.	.			trans	-122.3	164.8	-176.7	-60.9	0	0	0	0	110.5	I112 Q116 Y119	I112-S114 PolarHBondContact O-N 3.47Å; I112-S114 PolarHBondContact O-OG 2.93Å; S114-Q116 PolarHBondContact O-N 3.21Å; S114-Y119 PolarHBondContact N-OH 3.25Å; S114-Y119 VanDerWaalsContact N-OH 3.16Å; S114-Y119 VanDerWaalsContact O-CE2 3.31Å; S114-Y119 WeakPolarHBondContact O-CE2 3.38Å
115	C	94.1	Very high	95.9	Very high	36 Å²	36	26.2 Å²	26.2	24%	0.243	14%	0.142	C	C	.	.			trans	-52.9	135.4	172.9	-160.5	0	0	0	0	110.4	E117 L118 Y160	C115-E117 PolarHBondContact O-N 3.1Å; C115-E117 VanDerWaalsContact O-N 3.08Å; C115-E117 PolarHBondContact SG-OE2 3.41Å; C115-L118 HydrophobicContact CB-CD1 4.08Å; C115-L118 HydrophobicContact CB-CG 4.12Å; C115-L118 WeakPolarHBondContact O-CB 3.38Å; C115-L118 PolarHBondContact O-N 2.95Å; C115-Y160 HydrophobicContact CB-CD1 4.3Å; C115-Y160 HydrophobicContact CB-CD2 4.38Å; C115-Y160 HydrophobicContact CB-CE1 4.03Å; C115-Y160 HydrophobicContact CB-CE2 4.1Å; C115-Y160 HydrophobicContact CB-CG 4.48Å
116	Q	93.6	Very high	95.8	Very high	82 Å²	82	26.1 Å²	26.1	38%	0.383	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-58.4	-31.5	-168.3	67.9	178.8	10.3	0	0	112.9	S114 L118 Y119	S114-Q116 PolarHBondContact O-N 3.21Å; Q116-L118 PolarHBondContact O-N 3.46Å; Q116-Y119 PolarHBondContact O-N 3.07Å
117	E	92.7	Very high	95.5	Very high	119 Å²	119	29.1 Å²	29.1	56%	0.556	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-66.9	-16.1	179.8	-64.1	72.8	-159.2	0	0	112.7	C115	C115-E117 PolarHBondContact O-N 3.1Å; C115-E117 VanDerWaalsContact O-N 3.08Å; C115-E117 PolarHBondContact SG-OE2 3.41Å
118	L	93.5	Very high	95.3	Very high	49 Å²	49	36.6 Å²	36.6	26%	0.257	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-85.3	-31.5	-177.4	-59	-177.5	0	0	0	113.2	P84 C115 Q116 K121 L122	P84-L118 HydrophobicContact CB-CD1 4.48Å; P84-L118 HydrophobicContact CB-CD2 3.83Å; P84-L118 HydrophobicContact CG-CD1 3.82Å; P84-L118 HydrophobicContact CG-CD2 3.67Å; P84-L118 HydrophobicContact CG-CG 4.28Å; C115-L118 HydrophobicContact CB-CD1 4.08Å; C115-L118 HydrophobicContact CB-CG 4.12Å; C115-L118 WeakPolarHBondContact O-CB 3.38Å; C115-L118 PolarHBondContact O-N 2.95Å; Q116-L118 PolarHBondContact O-N 3.46Å; L118-K121 WeakPolarHBondContact O-CB 3.5Å; L118-K121 PolarHBondContact O-N 2.7Å; L118-K121 VanDerWaalsContact O-N 3.15Å; L118-L122 HydrophobicContact CB-CD1 4.26Å; L118-L122 WeakPolarHBondContact O-CG 3.44Å; L118-L122 PolarHBondContact O-N 3.16Å
119	Y	95.5	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-46.6	-174.7	-71.9	-81.8	0	0	0	113.4	I111 T113 S114 Q116 K121 L122 I123 L143 G145 P146 I175 Y176	I111-Y119 HydrophobicContact CG2-CD1 4.36Å; I111-Y119 HydrophobicContact CG2-CE1 4Å; T113-Y119 WeakPolarHBondContact CA-OH 3.44Å; S114-Y119 PolarHBondContact N-OH 3.25Å; S114-Y119 VanDerWaalsContact N-OH 3.16Å; S114-Y119 VanDerWaalsContact O-CE2 3.31Å; S114-Y119 WeakPolarHBondContact O-CE2 3.38Å; Q116-Y119 PolarHBondContact O-N 3.07Å; Y119-K121 PolarHBondContact O-N 3.24Å; Y119-L122 PolarHBondContact O-N 3.35Å; Y119-I123 VanDerWaalsContact O-CB 3.3Å; Y119-I123 WeakPolarHBondContact O-CB 3.44Å; Y119-I123 VanDerWaalsContact O-CG1 3.23Å; Y119-I123 WeakPolarHBondContact O-CG1 3.42Å; Y119-I123 PolarHBondContact O-N 3.05Å; Y119-L143 HydrophobicContact CD1-CD2 4.38Å; Y119-L143 HydrophobicContact CE1-CD2 4.5Å; Y119-G145 PolarHBondContact OH-O 3.37Å; Y119-P146 HydrophobicContact CE2-CB 4.5Å; Y119-P146 HydrophobicContact CE2-CG 3.99Å; Y119-P146 VanDerWaalsContact OH-CD 3.26Å; Y119-P146 WeakPolarHBondContact OH-CD 3.48Å; Y119-I175 VanDerWaalsContact CB-O 3.31Å; Y119-I175 WeakPolarHBondContact CB-O 3.27Å; Y119-I175 HydrophobicContact CD2-CG2 3.81Å; Y119-I175 HydrophobicContact CE2-CG2 4.1Å; Y119-I175 HydrophobicContact CG-CG2 4.39Å; Y119-Y176 AromaticContact CD1-CD1 3.63Å; Y119-Y176 HydrophobicContact CD1-CD1 3.63Å; Y119-Y176 AromaticContact CD1-CE1 3.69Å; Y119-Y176 HydrophobicContact CD1-CE1 3.69Å; Y119-Y176 HydrophobicContact CD2-CD1 4.48Å; Y119-Y176 HydrophobicContact CE1-CD1 4.12Å; Y119-Y176 AromaticContact CE1-CE1 3.68Å; Y119-Y176 HydrophobicContact CE1-CE1 3.68Å; Y119-Y176 AromaticContact CG-CD1 3.84Å; Y119-Y176 HydrophobicContact CG-CD1 3.84Å; Y119-Y176 HydrophobicContact CG-CE1 4.2Å
120	P	93.3	Very high	95.1	Very high	57 Å²	57	42.6 Å²	42.6	37%	0.37	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-36.6	178.9	-25.5	36.2	0	0	0	112.7	S124	P120-S124 WeakPolarHBondContact O-CB 3.41Å; P120-S124 PolarHBondContact O-N 2.89Å
121	K	92.8	Very high	94.9	Very high	117 Å²	117	45.2 Å²	45.2	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-67.5	-50.1	176.9	-175.1	-173	-179.6	-168.3	0	111	P84 L118 Y119 S124 G125	P84-K121 HydrophobicContact CB-CD 4.18Å; P84-K121 WeakPolarHBondContact O-CE 3.08Å; P84-K121 PolarHBondContact O-NZ 3.32Å; L118-K121 WeakPolarHBondContact O-CB 3.5Å; L118-K121 PolarHBondContact O-N 2.7Å; L118-K121 VanDerWaalsContact O-N 3.15Å; Y119-K121 PolarHBondContact O-N 3.24Å; K121-S124 PolarHBondContact O-N 2.98Å; K121-G125 PolarHBondContact O-N 3.09Å
122	L	95.5	Very high	94.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-53.6	179.7	-69.9	170.1	0	0	0	110.6	P84 I88 I111 L118 Y119 S124 G125 Y126	P84-L122 HydrophobicContact CB-CD2 4.34Å; I88-L122 HydrophobicContact CD1-CD2 4.17Å; I111-L122 HydrophobicContact CG2-CD1 3.8Å; L118-L122 HydrophobicContact CB-CD1 4.26Å; L118-L122 WeakPolarHBondContact O-CG 3.44Å; L118-L122 PolarHBondContact O-N 3.16Å; Y119-L122 PolarHBondContact O-N 3.35Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 2.82Å; L122-G125 WeakPolarHBondContact O-CA 3.41Å; L122-G125 PolarHBondContact O-N 3.42Å; L122-Y126 HydrophobicContact CB-CE2 4.45Å; L122-Y126 WeakPolarHBondContact O-CD2 3.28Å; L122-Y126 PolarHBondContact O-N 3.49Å
123	I	95.7	Very high	94.4	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-43.9	-178.5	-66.5	169	0	0	0	110.8	Y119 G125 Y126 Q127 I141 L143 Y176	Y119-I123 VanDerWaalsContact O-CB 3.3Å; Y119-I123 WeakPolarHBondContact O-CB 3.44Å; Y119-I123 VanDerWaalsContact O-CG1 3.23Å; Y119-I123 WeakPolarHBondContact O-CG1 3.42Å; Y119-I123 PolarHBondContact O-N 3.05Å; I123-G125 VanDerWaalsContact C-N 3.3Å; I123-G125 PolarHBondContact O-N 2.86Å; I123-Y126 PolarHBondContact O-N 2.89Å; I123-Q127 HydrophobicContact CG2-CG 4.41Å; I123-Q127 WeakPolarHBondContact O-CB 3.36Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.41Å; I123-Q127 PolarHBondContact O-N 2.82Å; I123-I141 HydrophobicContact CB-CD1 4.47Å; I123-I141 HydrophobicContact CG1-CD1 3.81Å; I123-L143 HydrophobicContact CD1-CD1 4.1Å; I123-L143 HydrophobicContact CD1-CD2 4.49Å; I123-L143 HydrophobicContact CG1-CD2 4.48Å; I123-Y176 HydrophobicContact CD1-CD1 4.17Å; I123-Y176 HydrophobicContact CD1-CG 4.24Å; I123-Y176 WeakPolarHBondContact CD1-O 3.34Å
124	S	93.7	Very high	94	Very high	37 Å²	37	56.6 Å²	56.6	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-35.9	176.1	-171.7	0	0	0	0	113	P120 K121 L122 K128	P120-S124 WeakPolarHBondContact O-CB 3.41Å; P120-S124 PolarHBondContact O-N 2.89Å; K121-S124 PolarHBondContact O-N 2.98Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 2.82Å; S124-K128 WeakPolarHBondContact O-CG 3.1Å; S124-K128 PolarHBondContact O-N 3.16Å
125	G	94.4	Very high	94.2	Very high	20 Å²	20	56.7 Å²	56.7	21%	0.206	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-48.7	174.1	0	0	0	0	0	112.4	K121 L122 I123 Q127 K128 Y129	K121-G125 PolarHBondContact O-N 3.09Å; L122-G125 WeakPolarHBondContact O-CA 3.41Å; L122-G125 PolarHBondContact O-N 3.42Å; I123-G125 VanDerWaalsContact C-N 3.3Å; I123-G125 PolarHBondContact O-N 2.86Å; G125-Q127 VanDerWaalsContact C-N 3.31Å; G125-Q127 PolarHBondContact O-N 3.48Å; G125-K128 PolarHBondContact O-N 3.14Å; G125-K128 VanDerWaalsContact O-N 3.15Å; G125-Y129 PolarHBondContact O-N 3.42Å
126	Y	96.2	Very high	94.4	Very high	2 Å²	2	55 Å²	55	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-30.7	178.1	-70.6	-72.9	0	0	0	113.5	F81 I88 C92 P109 I111 L122 I123 K128 Y129 I141 R182	F81-Y126 VanDerWaalsContact CA-OH 3.27Å; F81-Y126 WeakPolarHBondContact CA-OH 3.48Å; F81-Y126 WeakPolarHBondContact CB-OH 3.32Å; F81-Y126 HydrophobicContact CD1-CE1 4.21Å; F81-Y126 VanDerWaalsContact CD1-OH 3.24Å; F81-Y126 WeakPolarHBondContact CD1-OH 3.02Å; F81-Y126 PolarHBondContact O-OH 3.11Å; I88-Y126 HydrophobicContact CD1-CD2 4.49Å; I88-Y126 HydrophobicContact CD1-CE2 4.28Å; I88-Y126 HydrophobicContact CG1-CE2 4.48Å; I88-Y126 HydrophobicContact CG2-CD1 3.69Å; I88-Y126 HydrophobicContact CG2-CD2 4.31Å; I88-Y126 HydrophobicContact CG2-CE1 3.64Å; I88-Y126 HydrophobicContact CG2-CE2 4.24Å; I88-Y126 HydrophobicContact CG2-CG 4.02Å; C92-Y126 VanDerWaalsContact SG-CE1 3.51Å; P109-Y126 HydrophobicContact CB-CD1 4.44Å; P109-Y126 HydrophobicContact CB-CE1 3.74Å; P109-Y126 HydrophobicContact CG-CD1 4.39Å; P109-Y126 HydrophobicContact CG-CE1 3.94Å; I111-Y126 HydrophobicContact CD1-CE2 3.59Å; I111-Y126 HydrophobicContact CG1-CE2 4.43Å; L122-Y126 HydrophobicContact CB-CE2 4.45Å; L122-Y126 WeakPolarHBondContact O-CD2 3.28Å; L122-Y126 PolarHBondContact O-N 3.49Å; I123-Y126 PolarHBondContact O-N 2.89Å; Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.39Å; Y126-Y129 PolarHBondContact O-N 3.18Å; Y126-I141 HydrophobicContact CD1-CG2 3.7Å; Y126-I141 HydrophobicContact CD2-CD1 4.42Å; Y126-I141 HydrophobicContact CD2-CG2 3.71Å; Y126-I141 HydrophobicContact CE1-CG2 4.27Å; Y126-I141 HydrophobicContact CE2-CG2 4.33Å; Y126-I141 HydrophobicContact CG-CG2 3.4Å; Y126-I141 VanDerWaalsContact CG-CG2 3.4Å; Y126-R182 WeakPolarHBondContact O-CG 3.46Å; Y126-R182 PolarHBondContact O-NE 3.5Å
127	Q	94.3	Very high	94.6	Very high	62 Å²	62	53.4 Å²	53.4	29%	0.29	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-35.8	172.6	-80.2	167.9	-7.7	0	0	112.3	I123 G125 N179 R182	I123-Q127 HydrophobicContact CG2-CG 4.41Å; I123-Q127 WeakPolarHBondContact O-CB 3.36Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.41Å; I123-Q127 PolarHBondContact O-N 2.82Å; G125-Q127 VanDerWaalsContact C-N 3.31Å; G125-Q127 PolarHBondContact O-N 3.48Å; Q127-N179 PolarHBondContact NE2-O 2.98Å; Q127-N179 PolarHBondContact NE2-OD1 2.9Å; Q127-R182 HydrophobicContact CG-CB 3.82Å
128	K	94.5	Very high	94.8	Very high	158 Å²	158	47.8 Å²	47.8	69%	0.687	25%	0.254	S	S	*	.	H	α-helix	trans	-82.4	-15.2	179.5	-66.6	169	-171.4	169.4	0	113	S124 G125 Y126 V130	S124-K128 WeakPolarHBondContact O-CG 3.1Å; S124-K128 PolarHBondContact O-N 3.16Å; G125-K128 PolarHBondContact O-N 3.14Å; G125-K128 VanDerWaalsContact O-N 3.15Å; Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.39Å; K128-V130 PolarHBondContact O-N 2.8Å
129	Y	95.6	Very high	95	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.035	25%	0.247	C	C	.	.			trans	-68.4	123.9	-177.3	-179.4	-107.4	0	0	0	112.2	E89 C92 N93 G125 Y126 N131 V138 R182	E89-Y129 HydrophobicContact CB-CD2 4.42Å; E89-Y129 HydrophobicContact CG-CD2 4.14Å; E89-Y129 HydrophobicContact CG-CE2 4.28Å; C92-Y129 HydrophobicContact CB-CD1 4.14Å; C92-Y129 HydrophobicContact CB-CD2 3.74Å; C92-Y129 HydrophobicContact CB-CE1 3.83Å; C92-Y129 HydrophobicContact CB-CE2 3.4Å; C92-Y129 VanDerWaalsContact CB-CE2 3.4Å; C92-Y129 HydrophobicContact CB-CG 4.1Å; C92-Y129 VanDerWaalsContact CB-CZ 3.46Å; N93-Y129 WeakPolarHBondContact OD1-CE2 3.4Å; N93-Y129 PolarHBondContact OD1-OH 3.09Å; G125-Y129 PolarHBondContact O-N 3.42Å; Y126-Y129 PolarHBondContact O-N 3.18Å; Y129-N131 WeakPolarHBondContact CE1-OD1 3.44Å; Y129-V138 HydrophobicContact CD1-CB 3.93Å; Y129-V138 HydrophobicContact CD1-CG1 4.24Å; Y129-V138 HydrophobicContact CD1-CG2 4.02Å; Y129-V138 HydrophobicContact CE1-CB 3.75Å; Y129-V138 HydrophobicContact CE1-CG2 3.53Å; Y129-R182 PolarHBondContact O-NH2 3.15Å; Y129-R182 VanDerWaalsContact O-NH2 3.12Å
130	V	95.9	Very high	95.1	Very high	117 Å²	117	46.4 Å²	46.4	71%	0.709	25%	0.247	S	C	*	.			trans	-105.1	127.9	173.3	-178.4	0	0	0	0	108.9	K128 K132	K128-V130 PolarHBondContact O-N 2.8Å; V130-K132 PolarHBondContact O-N 3.23Å
131	N	96.1	Very high	95.4	Very high	56 Å²	56	43.7 Å²	43.7	30%	0.299	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-59.7	131.6	179.1	-77.7	-47.1	0	0	0	111.1	Y129 V138	Y129-N131 WeakPolarHBondContact CE1-OD1 3.44Å; N131-V138 PolarHBondContact ND2-O 3.38Å; N131-V138 VanDerWaalsContact ND2-O 3.09Å; N131-V138 WeakPolarHBondContact OD1-CB 3.43Å; N131-V138 PolarHBondContact OD1-N 3.43Å
132	K	93.2	Very high	95.7	Very high	96 Å²	96	38.2 Å²	38.2	42%	0.417	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-70	142.8	169.2	-82.6	-176	176.8	174.9	0	111	N93 V130 C135	N93-K132 HydrophobicContact CB-CD 4.22Å; N93-K132 VanDerWaalsContact ND2-CE 3.3Å; N93-K132 WeakPolarHBondContact ND2-CE 3.38Å; N93-K132 VanDerWaalsContact OD1-CD 3.29Å; N93-K132 WeakPolarHBondContact OD1-CD 3.44Å; N93-K132 WeakPolarHBondContact OD1-CE 3.46Å; N93-K132 WeakPolarHBondContact OD1-CG 3.45Å; V130-K132 PolarHBondContact O-N 3.23Å; K132-C135 HydrophobicContact CB-CB 4.22Å
133	P	90.6	Very high	95.8	Very high	98 Å²	98	38.2 Å²	38.2	64%	0.636	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	146.6	172.7	27.5	-34.5	0	0	0	110.4	C135	P133-C135 PolarHBondContact O-N 3.28Å
134	N	89.4	Confident	95.9	Very high	58 Å²	58	38.1 Å²	38.1	31%	0.31	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	26.6	175.5	-36.3	-47.1	0	0	0	114.1	V438	N134-V438 HydrophobicContact CB-CG1 3.73Å; N134-V438 WeakPolarHBondContact O-CG1 3.45Å
135	C	97	Very high	96.1	Very high	15 Å²	15	36.4 Å²	36.4	10%	0.101	19%	0.192	C	C	.	.	S	Bend	trans	-122.5	165.8	171.8	-63.1	0	0	0	0	109.2	A96 K132 P133 K137 I433	A96-C135 HydrophobicContact CB-CB 4.02Å; K132-C135 HydrophobicContact CB-CB 4.22Å; P133-C135 PolarHBondContact O-N 3.28Å; C135-K137 PolarHBondContact O-N 2.99Å; C135-I433 VanDerWaalsContact C-CD1 3.46Å; C135-I433 WeakPolarHBondContact O-CD1 3.4Å
136	S	98.4	Very high	96.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.183	C	C	.	.			trans	-57.9	134.8	173.7	-59.2	0	0	0	0	110.9	A96 L99 P100 V104 T105 V138	A96-S136 VanDerWaalsContact CB-O 3.28Å; A96-S136 WeakPolarHBondContact CB-O 3.49Å; A96-S136 WeakPolarHBondContact O-CB 3.44Å; A96-S136 PolarHBondContact O-N 2.8Å; A96-S136 PolarHBondContact O-OG 3.48Å; L99-S136 WeakPolarHBondContact CB-OG 3.23Å; P100-S136 VanDerWaalsContact CD-OG 3.32Å; P100-S136 WeakPolarHBondContact CD-OG 3.38Å; P100-S136 WeakPolarHBondContact CG-OG 3.46Å; V104-S136 PolarHBondContact O-OG 3.22Å; T105-S136 CarbonylContact O-C 3.59Å; T105-S136 VanDerWaalsContact O-CA 3.24Å; T105-S136 WeakPolarHBondContact O-CA 3.42Å; S136-V138 PolarHBondContact O-N 3.47Å
137	K	98	Very high	96.3	Very high	48 Å²	48	35.4 Å²	35.4	21%	0.209	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.2	-177.8	-67	171.4	178	163.5	0	110.5	T105 A106 F107 C135 L139 L399 S407 D409	T105-K137 PolarHBondContact O-N 2.85Å; A106-K137 CarbonylContact C-O 3.52Å; A106-K137 WeakPolarHBondContact CA-O 3.34Å; A106-K137 HydrophobicContact CB-CB 4.03Å; F107-K137 PolarHBondContact N-O 3.09Å; C135-K137 PolarHBondContact O-N 2.99Å; K137-L139 PolarHBondContact O-N 3.11Å; K137-L399 HydrophobicContact CD-CD1 4.1Å; K137-L399 HydrophobicContact CD-CD2 4.33Å; K137-S407 PolarHBondContact NZ-OG 3.21Å; K137-S407 VanDerWaalsContact NZ-OG 3.12Å; K137-D409 VanDerWaalsContact CE-OD2 3.31Å; K137-D409 WeakPolarHBondContact CE-OD2 3.23Å; K137-D409 IonicContact NZ-OD1 2.94Å; K137-D409 IonicContact NZ-OD2 3.54Å; K137-D409 PolarHBondContact NZ-OD2 3.21Å
138	V	98.2	Very high	96.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	110	160.8	175.6	0	0	0	0	107.5	C92 F107 P109 Y129 N131 S136 G140	C92-V138 HydrophobicContact CB-CG2 4.29Å; F107-V138 HydrophobicContact CE1-CG2 3.76Å; F107-V138 HydrophobicContact CE2-CG2 4.19Å; F107-V138 HydrophobicContact CZ-CG2 3.5Å; F107-V138 VanDerWaalsContact CZ-CG2 3.5Å; P109-V138 HydrophobicContact CG-CG1 3.81Å; P109-V138 HydrophobicContact CG-CG2 4.29Å; Y129-V138 HydrophobicContact CD1-CB 3.93Å; Y129-V138 HydrophobicContact CD1-CG1 4.24Å; Y129-V138 HydrophobicContact CD1-CG2 4.02Å; Y129-V138 HydrophobicContact CE1-CB 3.75Å; Y129-V138 HydrophobicContact CE1-CG2 3.53Å; N131-V138 PolarHBondContact ND2-O 3.38Å; N131-V138 VanDerWaalsContact ND2-O 3.09Å; N131-V138 WeakPolarHBondContact OD1-CB 3.43Å; N131-V138 PolarHBondContact OD1-N 3.43Å; S136-V138 PolarHBondContact O-N 3.47Å; V138-G140 VanDerWaalsContact C-N 3.26Å
139	L	97.4	Very high	96.7	Very high	20 Å²	20	25.3 Å²	25.3	11%	0.105	14%	0.139	C	C	.	.			trans	-75.4	-21.7	-178.1	-65	171.2	0	0	0	112.3	I69 A106 F107 K137 K184 L377 L379 L399	I69-L139 HydrophobicContact CG2-CD1 3.58Å; A106-L139 HydrophobicContact CB-CD1 3.85Å; A106-L139 HydrophobicContact CB-CD2 3.92Å; A106-L139 HydrophobicContact CB-CG 3.86Å; F107-L139 PolarHBondContact O-N 2.91Å; K137-L139 PolarHBondContact O-N 3.11Å; L139-K184 WeakPolarHBondContact O-CE 3.32Å; L139-L377 HydrophobicContact CD1-CD1 3.74Å; L139-L379 HydrophobicContact CD1-CD1 3.75Å; L139-L379 HydrophobicContact CD2-CD1 3.8Å; L139-L379 HydrophobicContact CG-CD1 4.38Å; L139-L399 HydrophobicContact CD2-CD1 3.77Å
140	G	97.7	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.			trans	132.7	-177.6	-167.9	0	0	0	0	0	108.7	C108 P109 V138 R182	C108-G140 WeakPolarHBondContact CA-O 3.48Å; C108-G140 PolarHBondContact SG-O 3.1Å; C108-G140 VanDerWaalsContact SG-O 3.38Å; P109-G140 WeakPolarHBondContact CD-O 3.35Å; V138-G140 VanDerWaalsContact C-N 3.26Å; G140-R182 CarbonylContact C-O 3.53Å; G140-R182 WeakPolarHBondContact CA-O 3.5Å
141	I	98.4	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	149.1	-170.2	63.7	-177.5	0	0	0	112.6	P109 I123 Y126 L143 R182 V183 K184 M185	P109-I141 HydrophobicContact CB-CG2 4.26Å; P109-I141 VanDerWaalsContact O-CA 3.31Å; P109-I141 WeakPolarHBondContact O-CA 3.11Å; I123-I141 HydrophobicContact CB-CD1 4.47Å; I123-I141 HydrophobicContact CG1-CD1 3.81Å; Y126-I141 HydrophobicContact CD1-CG2 3.7Å; Y126-I141 HydrophobicContact CD2-CD1 4.42Å; Y126-I141 HydrophobicContact CD2-CG2 3.71Å; Y126-I141 HydrophobicContact CE1-CG2 4.27Å; Y126-I141 HydrophobicContact CE2-CG2 4.33Å; Y126-I141 HydrophobicContact CG-CG2 3.4Å; Y126-I141 VanDerWaalsContact CG-CG2 3.4Å; I141-L143 HydrophobicContact CD1-CD2 3.81Å; I141-L143 HydrophobicContact CD1-CG 4.44Å; I141-L143 HydrophobicContact CG1-CD2 4.27Å; I141-R182 PolarHBondContact N-O 3.19Å; I141-V183 HydrophobicContact CD1-CG2 3.99Å; I141-V183 HydrophobicContact CG1-CB 4.32Å; I141-V183 HydrophobicContact CG1-CG2 3.92Å; I141-K184 PolarHBondContact O-N 2.65Å; I141-M185 PolarHBondContact O-N 3.11Å
142	H	98.8	Very high	96.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.4	166.5	176.2	-168.3	0	0	0	108	V71 C108 P109 T110 I111 M185 T187	V71-H142 PolarHBondContact O-ND1 2.82Å; C108-H142 HydrophobicContact CB-CB 4.25Å; P109-H142 PolarHBondContact O-N 3.1Å; T110-H142 CarbonylContact C-O 3.4Å; T110-H142 VanDerWaalsContact CA-O 3.24Å; T110-H142 WeakPolarHBondContact CA-O 3.44Å; T110-H142 HydrophobicContact CG2-CB 4.14Å; I111-H142 PolarHBondContact N-O 3.32Å; H142-M185 CarbonylContact C-O 3.5Å; H142-M185 WeakPolarHBondContact CA-O 3.39Å; H142-M185 HydrophobicContact CB-CB 4.14Å; H142-T187 PolarHBondContact CE1-OG1 2.79Å; H142-T187 PolarHBondContact NE2-OG1 2.99Å
143	L	98.6	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.8	173.8	-55.5	175.1	0	0	0	109.1	I111 Y119 I123 I141 G145 Y176 V183 M185 I186 T187	I111-L143 HydrophobicContact CB-CD2 3.82Å; I111-L143 HydrophobicContact CG1-CD2 3.87Å; I111-L143 HydrophobicContact CG2-CD2 4.49Å; Y119-L143 HydrophobicContact CD1-CD2 4.38Å; Y119-L143 HydrophobicContact CE1-CD2 4.5Å; I123-L143 HydrophobicContact CD1-CD1 4.1Å; I123-L143 HydrophobicContact CD1-CD2 4.49Å; I123-L143 HydrophobicContact CG1-CD2 4.48Å; I141-L143 HydrophobicContact CD1-CD2 3.81Å; I141-L143 HydrophobicContact CD1-CG 4.44Å; I141-L143 HydrophobicContact CG1-CD2 4.27Å; L143-G145 PolarHBondContact O-N 2.8Å; L143-Y176 HydrophobicContact CB-CE1 4.23Å; L143-Y176 HydrophobicContact CD1-CD1 3.68Å; L143-Y176 HydrophobicContact CD1-CD2 3.89Å; L143-Y176 HydrophobicContact CD1-CE1 3.63Å; L143-Y176 HydrophobicContact CD1-CE2 3.87Å; L143-Y176 HydrophobicContact CD1-CG 3.81Å; L143-Y176 HydrophobicContact CG-CE1 4.4Å; L143-V183 HydrophobicContact CD1-CG1 3.93Å; L143-V183 HydrophobicContact CD1-CG2 3.89Å; L143-V183 HydrophobicContact CG-CG1 4.08Å; L143-V183 HydrophobicContact CG-CG2 4.46Å; L143-M185 PolarHBondContact N-O 3.42Å; L143-I186 HydrophobicContact CB-CG1 4.15Å; L143-I186 HydrophobicContact CD1-CD1 4.3Å; L143-I186 HydrophobicContact CD1-CG1 4.21Å; L143-I186 HydrophobicContact CG-CG1 4.46Å; L143-I186 CarbonylContact O-C 3.53Å; L143-I186 WeakPolarHBondContact O-CA 3.34Å; L143-T187 PolarHBondContact O-N 2.86Å
144	E	98.4	Very high	97.1	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	79.9	177.2	-163.6	170.5	-172	0	0	109.7	Q72 T110 I111 I112 T113 H156 T187 H213 T233 H234	Q72-E144 PolarHBondContact NE2-OE1 2.81Å; Q72-E144 PolarHBondContact NE2-OE2 3.41Å; T110-E144 HydrophobicContact CG2-CB 3.81Å; I111-E144 PolarHBondContact O-N 2.74Å; I112-E144 CarbonylContact C-O 3.59Å; T113-E144 PolarHBondContact N-O 2.85Å; T113-E144 PolarHBondContact OG1-O 2.83Å; E144-H156 PolarHBondContact O-CE1 2.71Å; E144-H156 PolarHBondContact O-ND1 3.33Å; E144-T187 HydrophobicContact CG-CG2 4.36Å; E144-H213 IonicContact OE1-CD2 2.74Å; E144-H213 PolarHBondContact OE1-CD2 3.05Å; E144-H213 IonicContact OE1-NE2 2.79Å; E144-H213 PolarHBondContact OE1-NE2 3.46Å; E144-T233 WeakPolarHBondContact OE1-CG2 3.19Å; E144-H234 IonicContact OE1-CD2 3.22Å; E144-H234 IonicContact OE1-CE1 3.12Å; E144-H234 IonicContact OE1-NE2 2.7Å; E144-H234 PolarHBondContact OE1-NE2 3.44Å
145	G	96.3	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.113	C	C	.	.			trans	98.6	179.4	-172	0	0	0	0	0	113.9	Y119 L143 F147 Y176	Y119-G145 PolarHBondContact OH-O 3.37Å; L143-G145 PolarHBondContact O-N 2.8Å; G145-F147 VanDerWaalsContact C-N 3.34Å; G145-Y176 VanDerWaalsContact C-OH 3.26Å; G145-Y176 PolarHBondContact O-OH 2.79Å
146	P	97.7	Very high	97.2	Very high	1 Å²	1	18 Å²	18	1%	0.006	11%	0.11	C	C	.	.	S	Bend	cis	-87.2	4	17.2	36	-32.9	0	0	0	114.1	T113 Y119 I148 Y160 I161 K162 I175 Y176	T113-P146 HydrophobicContact CG2-CB 3.89Å; Y119-P146 HydrophobicContact CE2-CB 4.5Å; Y119-P146 HydrophobicContact CE2-CG 3.99Å; Y119-P146 VanDerWaalsContact OH-CD 3.26Å; Y119-P146 WeakPolarHBondContact OH-CD 3.48Å; P146-I148 PolarHBondContact O-N 3.29Å; P146-Y160 VanDerWaalsContact CB-O 3.26Å; P146-Y160 WeakPolarHBondContact CB-O 3.48Å; P146-I161 WeakPolarHBondContact O-CA 3.48Å; P146-K162 HydrophobicContact CB-CB 4.36Å; P146-K162 HydrophobicContact CB-CG 4.22Å; P146-K162 HydrophobicContact CG-CB 4.2Å; P146-K162 HydrophobicContact CG-CG 4.1Å; P146-K162 PolarHBondContact O-N 3.5Å; P146-I175 HydrophobicContact CG-CD1 4.33Å; P146-I175 HydrophobicContact CG-CG2 3.84Å; P146-Y176 WeakPolarHBondContact CD-OH 3.33Å
147	F	98.6	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-79.3	52.4	-177.4	-55.8	-67.2	0	0	0	113.6	G145 K162 F164 T171 I172 I175 Y176 I188 A189 L192	G145-F147 VanDerWaalsContact C-N 3.34Å; F147-K162 WeakPolarHBondContact CA-O 3.21Å; F147-K162 HydrophobicContact CD1-CB 4.36Å; F147-K162 HydrophobicContact CE1-CB 4.28Å; F147-F164 HydrophobicContact CB-CE1 3.82Å; F147-F164 HydrophobicContact CB-CE2 3.76Å; F147-F164 HydrophobicContact CB-CZ 3.35Å; F147-F164 AromaticContact CD1-CD1 3.58Å; F147-F164 HydrophobicContact CD1-CD1 3.58Å; F147-F164 HydrophobicContact CD1-CD2 4.37Å; F147-F164 AromaticContact CD1-CE1 3.52Å; F147-F164 HydrophobicContact CD1-CE1 3.52Å; F147-F164 HydrophobicContact CD1-CE2 4.33Å; F147-F164 HydrophobicContact CD1-CG 4.01Å; F147-F164 AromaticContact CD1-CZ 3.92Å; F147-F164 HydrophobicContact CD1-CZ 3.92Å; F147-F164 HydrophobicContact CD2-CD1 4.29Å; F147-F164 AromaticContact CD2-CE1 3.49Å; F147-F164 HydrophobicContact CD2-CE1 3.49Å; F147-F164 VanDerWaalsContact CD2-CE1 3.49Å; F147-F164 AromaticContact CD2-CZ 3.86Å; F147-F164 HydrophobicContact CD2-CZ 3.86Å; F147-F164 AromaticContact CE1-CD1 3.65Å; F147-F164 HydrophobicContact CE1-CD1 3.65Å; F147-F164 AromaticContact CE1-CE1 3.85Å; F147-F164 HydrophobicContact CE1-CE1 3.85Å; F147-F164 HydrophobicContact CE1-CG 4.32Å; F147-F164 HydrophobicContact CE2-CD1 4.35Å; F147-F164 AromaticContact CE2-CE1 3.82Å; F147-F164 HydrophobicContact CE2-CE1 3.82Å; F147-F164 AromaticContact CG-CD1 3.9Å; F147-F164 HydrophobicContact CG-CD1 3.9Å; F147-F164 AromaticContact CG-CE1 3.31Å; F147-F164 HydrophobicContact CG-CE1 3.31Å; F147-F164 HydrophobicContact CG-CE2 4.12Å; F147-F164 AromaticContact CG-CZ 3.44Å; F147-F164 HydrophobicContact CG-CZ 3.44Å; F147-F164 VanDerWaalsContact CG-CZ 3.44Å; F147-F164 HydrophobicContact CZ-CD1 4.03Å; F147-F164 AromaticContact CZ-CE1 3.98Å; F147-F164 HydrophobicContact CZ-CE1 3.98Å; F147-T171 HydrophobicContact CE1-CG2 3.83Å; F147-T171 HydrophobicContact CZ-CG2 4.13Å; F147-I172 HydrophobicContact CE2-CG1 4.04Å; F147-I172 HydrophobicContact CZ-CG1 4.12Å; F147-I175 HydrophobicContact CE1-CD1 3.7Å; F147-I175 HydrophobicContact CZ-CB 4.27Å; F147-I175 HydrophobicContact CZ-CD1 3.58Å; F147-I175 HydrophobicContact CZ-CG1 4.4Å; F147-Y176 AromaticContact CD2-CE2 3.9Å; F147-Y176 HydrophobicContact CD2-CE2 3.9Å; F147-Y176 AromaticContact CD2-CZ 3.81Å; F147-Y176 WeakPolarHBondContact CD2-OH 3.29Å; F147-Y176 HydrophobicContact CE2-CD2 4.2Å; F147-Y176 HydrophobicContact CE2-CE1 4.41Å; F147-Y176 AromaticContact CE2-CE2 3.48Å; F147-Y176 HydrophobicContact CE2-CE2 3.48Å; F147-Y176 VanDerWaalsContact CE2-CE2 3.48Å; F147-Y176 AromaticContact CE2-CZ 3.62Å; F147-I188 HydrophobicContact CB-CG2 4.48Å; F147-I188 CarbonylContact O-C 3.26Å; F147-I188 VanDerWaalsContact O-CA 3.26Å; F147-I188 WeakPolarHBondContact O-CA 3.41Å; F147-A189 PolarHBondContact O-N 2.91Å; F147-L192 VanDerWaalsContact C-CD1 3.42Å; F147-L192 HydrophobicContact CB-CD1 4.19Å; F147-L192 VanDerWaalsContact O-CD1 3.31Å; F147-L192 WeakPolarHBondContact O-CD1 3.38Å
148	I	98.5	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-118.5	175.1	-178.6	57.4	166.2	0	0	0	110.9	P146 H156 I161 T187 H213	P146-I148 PolarHBondContact O-N 3.29Å; I148-H156 HydrophobicContact CD1-CB 3.68Å; I148-H156 WeakPolarHBondContact CD1-ND1 3.44Å; I148-I161 HydrophobicContact CD1-CD1 4.04Å; I148-I161 HydrophobicContact CD1-CG1 4.22Å; I148-I161 HydrophobicContact CG1-CD1 3.97Å; I148-I161 HydrophobicContact CG1-CG1 3.92Å; I148-I161 HydrophobicContact CG1-CG2 4.27Å; I148-I161 WeakPolarHBondContact O-CG2 3.42Å; I148-T187 HydrophobicContact CG2-CG2 4.25Å; I148-H213 HydrophobicContact CB-CB 3.59Å; I148-H213 HydrophobicContact CD1-CB 3.96Å; I148-H213 HydrophobicContact CG1-CB 4.37Å; I148-H213 HydrophobicContact CG2-CB 3.66Å
149	S	98.2	Very high	96.7	Very high	8 Å²	8	27.4 Å²	27.4	6%	0.056	16%	0.163	C	C	.	.			trans	-84.1	130.5	-178.3	-164.4	0	0	0	0	111.6	D151 C152 A153 E191 H213	S149-D151 PolarHBondContact O-N 2.84Å; S149-C152 CarbonylContact O-C 3.48Å; S149-C152 VanDerWaalsContact O-C 3.26Å; S149-C152 PolarHBondContact O-N 2.86Å; S149-C152 VanDerWaalsContact O-N 3.15Å; S149-A153 PolarHBondContact O-N 3.15Å; S149-A153 VanDerWaalsContact O-N 3.17Å; S149-E191 WeakPolarHBondContact CB-OE1 3.45Å; S149-E191 PolarHBondContact OG-OE1 3.47Å; S149-H213 WeakPolarHBondContact CA-O 3.24Å; S149-H213 WeakPolarHBondContact CB-O 3.39Å; S149-H213 PolarHBondContact N-O 3.16Å
150	T	97.2	Very high	96.7	Very high	84 Å²	84	29.1 Å²	29.1	52%	0.515	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-62.6	-30.3	172.2	50.1	0	0	0	0	112.5	C152 I161	T150-C152 PolarHBondContact O-N 2.93Å; T150-I161 HydrophobicContact CG2-CB 3.99Å; T150-I161 HydrophobicContact CG2-CD1 4.18Å; T150-I161 HydrophobicContact CG2-CG2 3.72Å
151	D	96.2	Very high	96.7	Very high	118 Å²	118	30 Å²	30	63%	0.631	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-73.1	-18.1	178.6	-66.2	-15.8	0	0	0	112.5	S149 N215	S149-D151 PolarHBondContact O-N 2.84Å; D151-N215 HydrophobicContact CB-CB 4.3Å; D151-N215 PolarHBondContact OD2-ND2 2.88Å
152	C	96.8	Very high	96.6	Very high	18 Å²	18	33.3 Å²	33.3	12%	0.122	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-131.9	40.7	-176	-69	0	0	0	0	110.6	S149 T150 G154 H213 A238	S149-C152 CarbonylContact O-C 3.48Å; S149-C152 VanDerWaalsContact O-C 3.26Å; S149-C152 PolarHBondContact O-N 2.86Å; S149-C152 VanDerWaalsContact O-N 3.15Å; T150-C152 PolarHBondContact O-N 2.93Å; C152-G154 VanDerWaalsContact C-N 3.27Å; C152-G154 PolarHBondContact O-N 3.29Å; C152-H213 WeakPolarHBondContact O-CB 3.33Å; C152-H213 PolarHBondContact O-ND1 2.89Å; C152-H213 VanDerWaalsContact O-ND1 3.13Å; C152-A238 VanDerWaalsContact CB-O 3.3Å; C152-A238 WeakPolarHBondContact CB-O 3.39Å; C152-A238 WeakPolarHBondContact O-CB 3.45Å
153	A	95.6	Very high	96.6	Very high	9 Å²	9	35.3 Å²	35.3	7%	0.074	21%	0.208	C	C	.	.			trans	-65.5	-28	-177	0	0	0	0	0	113.3	S149 M155 H156 T158 I161 H213	S149-A153 PolarHBondContact O-N 3.15Å; S149-A153 VanDerWaalsContact O-N 3.17Å; A153-M155 PolarHBondContact O-N 3.06Å; A153-H156 HydrophobicContact CB-CB 4.47Å; A153-H156 VanDerWaalsContact O-CB 3.24Å; A153-H156 WeakPolarHBondContact O-CB 3.49Å; A153-H156 PolarHBondContact O-CD2 2.84Å; A153-H156 VanDerWaalsContact O-CD2 3.25Å; A153-H156 PolarHBondContact O-N 2.99Å; A153-T158 HydrophobicContact CB-CG2 3.78Å; A153-I161 HydrophobicContact CB-CD1 3.7Å; A153-H213 PolarHBondContact O-ND1 2.87Å
154	G	93.7	Very high	96.5	Very high	42 Å²	42	35.4 Å²	35.4	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-120.3	-170.4	0	0	0	0	0	109.7	C152	C152-G154 VanDerWaalsContact C-N 3.27Å; C152-G154 PolarHBondContact O-N 3.29Å
155	M	93.4	Very high	96.4	Very high	17 Å²	17	36.6 Å²	36.6	8%	0.084	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.8	175.7	70.1	164.3	-76.8	0	0	115.1	I112 A153 F306 I320 A327	I112-M155 HydrophobicContact CD1-CE 3.89Å; A153-M155 PolarHBondContact O-N 3.06Å; M155-F306 HydrophobicContact CE-CB 4.24Å; M155-F306 HydrophobicContact CE-CD1 3.16Å; M155-F306 HydrophobicContact CE-CD2 4.29Å; M155-F306 HydrophobicContact CE-CE1 3.33Å; M155-F306 HydrophobicContact CE-CE2 4.39Å; M155-F306 HydrophobicContact CE-CG 3.66Å; M155-F306 HydrophobicContact CE-CZ 3.91Å; M155-F306 HydrophobicContact SD-CD1 3.47Å; M155-F306 WeakPolarHBondContact SD-CD1 3.48Å; M155-F306 HydrophobicContact SD-CE1 3.19Å; M155-F306 WeakPolarHBondContact SD-CE1 3.5Å; M155-F306 HydrophobicContact SD-CZ 4.04Å; M155-I320 HydrophobicContact CB-CD1 3.66Å; M155-I320 HydrophobicContact CB-CG1 4.04Å; M155-A327 HydrophobicContact SD-CB 3.71Å
156	H	95.4	Very high	96.4	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.042	26%	0.259	C	S	.	.	S	Bend	trans	-68.9	140.1	-178.8	-69	-121.5	0	0	0	110.5	T113 E144 I148 A153 T158 H213	T113-H156 VanDerWaalsContact CB-ND1 3.27Å; T113-H156 WeakPolarHBondContact CB-ND1 3.15Å; T113-H156 PolarHBondContact N-ND1 3.16Å; T113-H156 PolarHBondContact OG1-ND1 3.21Å; E144-H156 PolarHBondContact O-CE1 2.71Å; E144-H156 PolarHBondContact O-ND1 3.33Å; I148-H156 HydrophobicContact CD1-CB 3.68Å; I148-H156 WeakPolarHBondContact CD1-ND1 3.44Å; A153-H156 HydrophobicContact CB-CB 4.47Å; A153-H156 VanDerWaalsContact O-CB 3.24Å; A153-H156 WeakPolarHBondContact O-CB 3.49Å; A153-H156 PolarHBondContact O-CD2 2.84Å; A153-H156 VanDerWaalsContact O-CD2 3.25Å; A153-H156 PolarHBondContact O-N 2.99Å; H156-T158 PolarHBondContact O-N 3.33Å; H156-H213 AromaticContact CD2-CE1 3.45Å; H156-H213 PolarHBondContact CD2-CE1 3.36Å; H156-H213 VanDerWaalsContact CD2-CE1 3.45Å; H156-H213 AromaticContact CD2-ND1 3.97Å; H156-H213 AromaticContact NE2-CE1 3.52Å; H156-H213 AromaticContact NE2-NE2 3.6Å
157	Q	93.7	Very high	96.4	Very high	53 Å²	53	46.3 Å²	46.3	25%	0.248	28%	0.278	C	S	.	.			trans	-70.3	117	179.5	-176.1	70.5	-57.5	0	0	110.5	D159 Y160 E308	Q157-D159 VanDerWaalsContact C-N 3.27Å; Q157-D159 HydrophobicContact CG-CB 4.44Å; Q157-D159 PolarHBondContact O-N 3.41Å; Q157-Y160 HydrophobicContact CB-CD2 3.8Å; Q157-Y160 HydrophobicContact CB-CE2 4.24Å; Q157-Y160 HydrophobicContact CB-CG 4.49Å; Q157-Y160 HydrophobicContact CG-CD2 3.76Å; Q157-Y160 HydrophobicContact CG-CE2 3.88Å; Q157-Y160 HydrophobicContact CG-CG 4.29Å; Q157-Y160 PolarHBondContact O-N 3.41Å; Q157-E308 PolarHBondContact NE2-OE2 2.9Å
158	T	94.9	Very high	96.3	Very high	68 Å²	68	46.5 Å²	46.5	42%	0.417	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-63.3	-33	-172.6	50.5	0	0	0	0	113.1	A153 H156 Y160 I161	A153-T158 HydrophobicContact CB-CG2 3.78Å; H156-T158 PolarHBondContact O-N 3.33Å; T158-Y160 PolarHBondContact O-N 2.86Å; T158-I161 HydrophobicContact CG2-CD1 4.45Å; T158-I161 WeakPolarHBondContact O-CB 3.33Å; T158-I161 PolarHBondContact O-N 2.78Å
159	D	95.6	Very high	96.3	Very high	125 Å²	125	50 Å²	50	67%	0.668	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-65.9	-19.9	-178.8	-68.1	-9.7	0	0	0	113.1	Q157	Q157-D159 VanDerWaalsContact C-N 3.27Å; Q157-D159 HydrophobicContact CG-CB 4.44Å; Q157-D159 PolarHBondContact O-N 3.41Å
160	Y	96.5	Very high	96.3	Very high	56 Å²	56	55 Å²	55	22%	0.22	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-102	-5.9	179.4	-56.8	-30.2	0	0	0	113.8	C115 P146 Q157 T158 E308	C115-Y160 HydrophobicContact CB-CD1 4.3Å; C115-Y160 HydrophobicContact CB-CD2 4.38Å; C115-Y160 HydrophobicContact CB-CE1 4.03Å; C115-Y160 HydrophobicContact CB-CE2 4.1Å; C115-Y160 HydrophobicContact CB-CG 4.48Å; P146-Y160 VanDerWaalsContact CB-O 3.26Å; P146-Y160 WeakPolarHBondContact CB-O 3.48Å; Q157-Y160 HydrophobicContact CB-CD2 3.8Å; Q157-Y160 HydrophobicContact CB-CE2 4.24Å; Q157-Y160 HydrophobicContact CB-CG 4.49Å; Q157-Y160 HydrophobicContact CG-CD2 3.76Å; Q157-Y160 HydrophobicContact CG-CE2 3.88Å; Q157-Y160 HydrophobicContact CG-CG 4.29Å; Q157-Y160 PolarHBondContact O-N 3.41Å; T158-Y160 PolarHBondContact O-N 2.86Å; Y160-E308 VanDerWaalsContact CE2-CD 3.44Å; Y160-E308 HydrophobicContact CE2-CG 4.49Å; Y160-E308 WeakPolarHBondContact CE2-OE1 3.31Å; Y160-E308 WeakPolarHBondContact CE2-OE2 3.29Å; Y160-E308 PolarHBondContact OH-OE1 3.43Å; Y160-E308 PolarHBondContact OH-OE2 2.91Å
161	I	97.8	Very high	96.3	Very high	19 Å²	19	52.4 Å²	52.4	10%	0.097	30%	0.302	C	S	.	.			trans	-64.7	138.4	173.8	-66.8	177.1	0	0	0	109.4	T113 P146 I148 T150 A153 T158	T113-I161 HydrophobicContact CG2-CG1 3.96Å; P146-I161 WeakPolarHBondContact O-CA 3.48Å; I148-I161 HydrophobicContact CD1-CD1 4.04Å; I148-I161 HydrophobicContact CD1-CG1 4.22Å; I148-I161 HydrophobicContact CG1-CD1 3.97Å; I148-I161 HydrophobicContact CG1-CG1 3.92Å; I148-I161 HydrophobicContact CG1-CG2 4.27Å; I148-I161 WeakPolarHBondContact O-CG2 3.42Å; T150-I161 HydrophobicContact CG2-CB 3.99Å; T150-I161 HydrophobicContact CG2-CD1 4.18Å; T150-I161 HydrophobicContact CG2-CG2 3.72Å; A153-I161 HydrophobicContact CB-CD1 3.7Å; T158-I161 HydrophobicContact CG2-CD1 4.45Å; T158-I161 WeakPolarHBondContact O-CB 3.33Å; T158-I161 PolarHBondContact O-N 2.78Å
162	K	97.5	Very high	96.4	Very high	70 Å²	70	46.8 Å²	46.8	30%	0.304	27%	0.272	S	S	.	.			trans	-129.4	147.7	-176.7	-60.2	-62.9	179.6	-170.6	0	111.1	P146 F147 I175	P146-K162 HydrophobicContact CB-CB 4.36Å; P146-K162 HydrophobicContact CB-CG 4.22Å; P146-K162 HydrophobicContact CG-CB 4.2Å; P146-K162 HydrophobicContact CG-CG 4.1Å; P146-K162 PolarHBondContact O-N 3.5Å; F147-K162 WeakPolarHBondContact CA-O 3.21Å; F147-K162 HydrophobicContact CD1-CB 4.36Å; F147-K162 HydrophobicContact CE1-CB 4.28Å; K162-I175 HydrophobicContact CB-CD1 3.86Å; K162-I175 HydrophobicContact CG-CD1 3.78Å
163	G	97.4	Very high	96.4	Very high	43 Å²	43	48.3 Å²	48.3	44%	0.443	28%	0.283	S	S	.	.			trans	-86.3	164.9	163	0	0	0	0	0	111.4
164	F	97.7	Very high	96.4	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	31%	0.306	C	S	.	.			trans	-78.6	-39.2	169.7	-63	-75.9	0	0	0	112.2	F147 P168 T171 I172 I188 L192 E193 A195 A198	F147-F164 HydrophobicContact CB-CE1 3.82Å; F147-F164 HydrophobicContact CB-CE2 3.76Å; F147-F164 HydrophobicContact CB-CZ 3.35Å; F147-F164 AromaticContact CD1-CD1 3.58Å; F147-F164 HydrophobicContact CD1-CD1 3.58Å; F147-F164 HydrophobicContact CD1-CD2 4.37Å; F147-F164 AromaticContact CD1-CE1 3.52Å; F147-F164 HydrophobicContact CD1-CE1 3.52Å; F147-F164 HydrophobicContact CD1-CE2 4.33Å; F147-F164 HydrophobicContact CD1-CG 4.01Å; F147-F164 AromaticContact CD1-CZ 3.92Å; F147-F164 HydrophobicContact CD1-CZ 3.92Å; F147-F164 HydrophobicContact CD2-CD1 4.29Å; F147-F164 AromaticContact CD2-CE1 3.49Å; F147-F164 HydrophobicContact CD2-CE1 3.49Å; F147-F164 VanDerWaalsContact CD2-CE1 3.49Å; F147-F164 AromaticContact CD2-CZ 3.86Å; F147-F164 HydrophobicContact CD2-CZ 3.86Å; F147-F164 AromaticContact CE1-CD1 3.65Å; F147-F164 HydrophobicContact CE1-CD1 3.65Å; F147-F164 AromaticContact CE1-CE1 3.85Å; F147-F164 HydrophobicContact CE1-CE1 3.85Å; F147-F164 HydrophobicContact CE1-CG 4.32Å; F147-F164 HydrophobicContact CE2-CD1 4.35Å; F147-F164 AromaticContact CE2-CE1 3.82Å; F147-F164 HydrophobicContact CE2-CE1 3.82Å; F147-F164 AromaticContact CG-CD1 3.9Å; F147-F164 HydrophobicContact CG-CD1 3.9Å; F147-F164 AromaticContact CG-CE1 3.31Å; F147-F164 HydrophobicContact CG-CE1 3.31Å; F147-F164 HydrophobicContact CG-CE2 4.12Å; F147-F164 AromaticContact CG-CZ 3.44Å; F147-F164 HydrophobicContact CG-CZ 3.44Å; F147-F164 VanDerWaalsContact CG-CZ 3.44Å; F147-F164 HydrophobicContact CZ-CD1 4.03Å; F147-F164 AromaticContact CZ-CE1 3.98Å; F147-F164 HydrophobicContact CZ-CE1 3.98Å; F164-P168 HydrophobicContact CB-CB 3.81Å; F164-P168 HydrophobicContact CB-CG 3.95Å; F164-P168 HydrophobicContact CD1-CB 4.23Å; F164-P168 HydrophobicContact CG-CB 4.24Å; F164-T171 WeakPolarHBondContact O-CB 3.26Å; F164-T171 PolarHBondContact O-OG1 3.18Å; F164-I172 HydrophobicContact CD1-CD1 4.14Å; F164-I172 HydrophobicContact CD1-CG1 3.98Å; F164-I172 HydrophobicContact CE1-CD1 3.85Å; F164-I172 HydrophobicContact CE1-CG1 3.8Å; F164-I188 HydrophobicContact CE2-CB 4.29Å; F164-I188 HydrophobicContact CE2-CG2 4.4Å; F164-I188 HydrophobicContact CZ-CB 4.13Å; F164-I188 HydrophobicContact CZ-CG2 3.75Å; F164-L192 HydrophobicContact CD2-CB 4.07Å; F164-L192 HydrophobicContact CD2-CD1 4.36Å; F164-L192 HydrophobicContact CE2-CB 4.48Å; F164-L192 HydrophobicContact CE2-CD1 4.28Å; F164-E193 WeakPolarHBondContact CB-O 3.44Å; F164-A195 HydrophobicContact CD2-CB 4.23Å; F164-A195 HydrophobicContact CE2-CB 4.13Å; F164-A198 HydrophobicContact CD1-CB 3.73Å; F164-A198 HydrophobicContact CD2-CB 4.15Å; F164-A198 HydrophobicContact CE1-CB 3.5Å; F164-A198 HydrophobicContact CE2-CB 3.95Å; F164-A198 HydrophobicContact CG-CB 4.04Å; F164-A198 HydrophobicContact CZ-CB 3.62Å
165	G	95.4	Very high	96.6	Very high	27 Å²	27	52.1 Å²	52.1	28%	0.278	29%	0.288	S	S	.	.			trans	74.2	-159.3	-178.2	0	0	0	0	0	113.1	D167 E193	G165-D167 PolarHBondContact O-N 3.17Å; G165-E193 PolarHBondContact N-O 3.22Å
166	T	95.6	Very high	96.7	Very high	130 Å²	130	51.4 Å²	51.4	80%	0.798	28%	0.284	S	S	*	.	S	Bend	trans	-77.1	-18.1	-171.6	55.1	0	0	0	0	114.6
167	D	97.7	Very high	96.7	Very high	75 Å²	75	51.3 Å²	51.3	40%	0.401	29%	0.286	S	S	.	.			trans	-127.8	77.6	174.5	-171.2	-10.9	0	0	0	110.9	G165 I169 K170 T171	G165-D167 PolarHBondContact O-N 3.17Å; D167-I169 PolarHBondContact O-N 3.03Å; D167-K170 HydrophobicContact CB-CB 4.08Å; D167-K170 PolarHBondContact O-N 3.48Å; D167-K170 WeakPolarHBondContact OD1-CB 3.27Å; D167-K170 PolarHBondContact OD1-N 3.19Å; D167-K170 VanDerWaalsContact OD2-CB 3.31Å; D167-K170 WeakPolarHBondContact OD2-CB 3.41Å; D167-T171 PolarHBondContact O-N 3.24Å; D167-T171 PolarHBondContact O-OG1 2.99Å
168	P	97.9	Very high	96.5	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.032	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-33.6	-174.8	-30.1	39.7	0	0	0	114.3	F164 T171 I172 G194 T197 A198	F164-P168 HydrophobicContact CB-CB 3.81Å; F164-P168 HydrophobicContact CB-CG 3.95Å; F164-P168 HydrophobicContact CD1-CB 4.23Å; F164-P168 HydrophobicContact CG-CB 4.24Å; P168-T171 PolarHBondContact O-N 2.9Å; P168-I172 WeakPolarHBondContact O-CB 3.36Å; P168-I172 WeakPolarHBondContact O-CD1 3.3Å; P168-I172 WeakPolarHBondContact O-CG1 3.45Å; P168-I172 PolarHBondContact O-N 2.85Å; P168-G194 WeakPolarHBondContact CG-O 3.48Å; P168-T197 HydrophobicContact CG-CG2 4.3Å; P168-A198 HydrophobicContact CB-CB 4.02Å
169	I	97.7	Very high	96.3	Very high	73 Å²	73	54.1 Å²	54.1	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-69.5	-45	-177.3	-63	149.5	0	0	0	109.6	D167 S173 T197 Y201	D167-I169 PolarHBondContact O-N 3.03Å; I169-S173 PolarHBondContact O-N 3.19Å; I169-T197 HydrophobicContact CD1-CG2 4.39Å; I169-Y201 HydrophobicContact CG1-CD1 4.14Å; I169-Y201 HydrophobicContact CG1-CD2 4.2Å; I169-Y201 HydrophobicContact CG1-CG 3.87Å; I169-Y201 HydrophobicContact CG2-CD1 4.47Å; I169-Y201 HydrophobicContact CG2-CD2 4.42Å; I169-Y201 HydrophobicContact CG2-CE1 4.2Å; I169-Y201 HydrophobicContact CG2-CE2 4.15Å
170	K	97.8	Very high	96.3	Very high	113 Å²	113	48.8 Å²	48.8	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-48	174	-180	-179.7	167.5	-174.3	0	111.1	D167 I172 S173 E174	D167-K170 HydrophobicContact CB-CB 4.08Å; D167-K170 PolarHBondContact O-N 3.48Å; D167-K170 WeakPolarHBondContact OD1-CB 3.27Å; D167-K170 PolarHBondContact OD1-N 3.19Å; D167-K170 VanDerWaalsContact OD2-CB 3.31Å; D167-K170 WeakPolarHBondContact OD2-CB 3.41Å; K170-I172 PolarHBondContact O-N 3.47Å; K170-S173 CarbonylContact O-C 3.59Å; K170-S173 PolarHBondContact O-N 3.3Å; K170-S173 VanDerWaalsContact O-N 3.13Å; K170-E174 WeakPolarHBondContact CE-OE1 3.29Å; K170-E174 HydrophobicContact CG-CG 4.34Å; K170-E174 IonicContact NZ-OE1 3.76Å; K170-E174 WeakPolarHBondContact O-CG 3.4Å; K170-E174 PolarHBondContact O-N 3.12Å
171	T	98.1	Very high	96.1	Very high	29 Å²	29	52.2 Å²	52.2	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-40.4	-179.5	-62.2	0	0	0	0	112.6	F147 F164 D167 P168 S173 E174 I175	F147-T171 HydrophobicContact CE1-CG2 3.83Å; F147-T171 HydrophobicContact CZ-CG2 4.13Å; F164-T171 WeakPolarHBondContact O-CB 3.26Å; F164-T171 PolarHBondContact O-OG1 3.18Å; D167-T171 PolarHBondContact O-N 3.24Å; D167-T171 PolarHBondContact O-OG1 2.99Å; P168-T171 PolarHBondContact O-N 2.9Å; T171-S173 VanDerWaalsContact C-N 3.35Å; T171-S173 PolarHBondContact O-N 2.81Å; T171-E174 PolarHBondContact O-N 3.03Å; T171-I175 HydrophobicContact CG2-CD1 3.9Å; T171-I175 WeakPolarHBondContact O-CG1 3.38Å; T171-I175 PolarHBondContact O-N 3.26Å
172	I	97.9	Very high	96	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-47.7	172.1	-75.4	165.1	0	0	0	110.6	F147 F164 P168 K170 E174 I175 Y176 L180 A198 Y201 L202	F147-I172 HydrophobicContact CE2-CG1 4.04Å; F147-I172 HydrophobicContact CZ-CG1 4.12Å; F164-I172 HydrophobicContact CD1-CD1 4.14Å; F164-I172 HydrophobicContact CD1-CG1 3.98Å; F164-I172 HydrophobicContact CE1-CD1 3.85Å; F164-I172 HydrophobicContact CE1-CG1 3.8Å; P168-I172 WeakPolarHBondContact O-CB 3.36Å; P168-I172 WeakPolarHBondContact O-CD1 3.3Å; P168-I172 WeakPolarHBondContact O-CG1 3.45Å; P168-I172 PolarHBondContact O-N 2.85Å; K170-I172 PolarHBondContact O-N 3.47Å; I172-E174 VanDerWaalsContact C-N 3.33Å; I172-E174 PolarHBondContact O-N 2.76Å; I172-I175 PolarHBondContact O-N 3.26Å; I172-Y176 HydrophobicContact CG2-CD2 4.06Å; I172-Y176 PolarHBondContact O-N 2.83Å; I172-L180 HydrophobicContact CG2-CD1 4.04Å; I172-A198 HydrophobicContact CD1-CB 3.87Å; I172-Y201 HydrophobicContact CD1-CD1 4.06Å; I172-Y201 HydrophobicContact CG2-CE1 4.12Å; I172-L202 HydrophobicContact CD1-CD1 4.19Å; I172-L202 HydrophobicContact CD1-CD2 4.15Å; I172-L202 HydrophobicContact CD1-CG 4.09Å; I172-L202 HydrophobicContact CG2-CD2 4.26Å
173	S	96.3	Very high	96.1	Very high	49 Å²	49	50.7 Å²	50.7	34%	0.343	29%	0.292	S	S	.	.	H	α-helix	trans	-67.1	-31.5	179.6	-175.4	0	0	0	0	113.2	I169 K170 T171 G177	I169-S173 PolarHBondContact O-N 3.19Å; K170-S173 CarbonylContact O-C 3.59Å; K170-S173 PolarHBondContact O-N 3.3Å; K170-S173 VanDerWaalsContact O-N 3.13Å; T171-S173 VanDerWaalsContact C-N 3.35Å; T171-S173 PolarHBondContact O-N 2.81Å; S173-G177 CarbonylContact O-C 3.34Å; S173-G177 WeakPolarHBondContact O-CA 3.26Å; S173-G177 PolarHBondContact O-N 3.4Å; S173-G177 VanDerWaalsContact O-N 3.11Å
174	E	96.5	Very high	96.1	Very high	123 Å²	123	51.9 Å²	51.9	58%	0.575	29%	0.285	S	S	*	.	H	α-helix	trans	-71.9	-39.7	176.8	-76.4	176.4	164.5	0	0	111.7	K170 T171 I172	K170-E174 WeakPolarHBondContact CE-OE1 3.29Å; K170-E174 HydrophobicContact CG-CG 4.34Å; K170-E174 IonicContact NZ-OE1 3.76Å; K170-E174 WeakPolarHBondContact O-CG 3.4Å; K170-E174 PolarHBondContact O-N 3.12Å; T171-E174 PolarHBondContact O-N 3.03Å; I172-E174 VanDerWaalsContact C-N 3.33Å; I172-E174 PolarHBondContact O-N 2.76Å
175	I	96.9	Very high	96.2	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-81.7	-58.4	-177.7	-67.4	177.6	0	0	0	111.1	Y119 P146 F147 K162 T171 I172 G177	Y119-I175 VanDerWaalsContact CB-O 3.31Å; Y119-I175 WeakPolarHBondContact CB-O 3.27Å; Y119-I175 HydrophobicContact CD2-CG2 3.81Å; Y119-I175 HydrophobicContact CE2-CG2 4.1Å; Y119-I175 HydrophobicContact CG-CG2 4.39Å; P146-I175 HydrophobicContact CG-CD1 4.33Å; P146-I175 HydrophobicContact CG-CG2 3.84Å; F147-I175 HydrophobicContact CE1-CD1 3.7Å; F147-I175 HydrophobicContact CZ-CB 4.27Å; F147-I175 HydrophobicContact CZ-CD1 3.58Å; F147-I175 HydrophobicContact CZ-CG1 4.4Å; K162-I175 HydrophobicContact CB-CD1 3.86Å; K162-I175 HydrophobicContact CG-CD1 3.78Å; T171-I175 HydrophobicContact CG2-CD1 3.9Å; T171-I175 WeakPolarHBondContact O-CG1 3.38Å; T171-I175 PolarHBondContact O-N 3.26Å; I172-I175 PolarHBondContact O-N 3.26Å; I175-G177 VanDerWaalsContact C-N 3.34Å
176	Y	96.9	Very high	96.3	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.6	-176	-62.7	-36.4	0	0	0	113.4	Y119 I123 L143 G145 P146 F147 I172 L180 I186	Y119-Y176 AromaticContact CD1-CD1 3.63Å; Y119-Y176 HydrophobicContact CD1-CD1 3.63Å; Y119-Y176 AromaticContact CD1-CE1 3.69Å; Y119-Y176 HydrophobicContact CD1-CE1 3.69Å; Y119-Y176 HydrophobicContact CD2-CD1 4.48Å; Y119-Y176 HydrophobicContact CE1-CD1 4.12Å; Y119-Y176 AromaticContact CE1-CE1 3.68Å; Y119-Y176 HydrophobicContact CE1-CE1 3.68Å; Y119-Y176 AromaticContact CG-CD1 3.84Å; Y119-Y176 HydrophobicContact CG-CD1 3.84Å; Y119-Y176 HydrophobicContact CG-CE1 4.2Å; I123-Y176 HydrophobicContact CD1-CD1 4.17Å; I123-Y176 HydrophobicContact CD1-CG 4.24Å; I123-Y176 WeakPolarHBondContact CD1-O 3.34Å; L143-Y176 HydrophobicContact CB-CE1 4.23Å; L143-Y176 HydrophobicContact CD1-CD1 3.68Å; L143-Y176 HydrophobicContact CD1-CD2 3.89Å; L143-Y176 HydrophobicContact CD1-CE1 3.63Å; L143-Y176 HydrophobicContact CD1-CE2 3.87Å; L143-Y176 HydrophobicContact CD1-CG 3.81Å; L143-Y176 HydrophobicContact CG-CE1 4.4Å; G145-Y176 VanDerWaalsContact C-OH 3.26Å; G145-Y176 PolarHBondContact O-OH 2.79Å; P146-Y176 WeakPolarHBondContact CD-OH 3.33Å; F147-Y176 AromaticContact CD2-CE2 3.9Å; F147-Y176 HydrophobicContact CD2-CE2 3.9Å; F147-Y176 AromaticContact CD2-CZ 3.81Å; F147-Y176 WeakPolarHBondContact CD2-OH 3.29Å; F147-Y176 HydrophobicContact CE2-CD2 4.2Å; F147-Y176 HydrophobicContact CE2-CE1 4.41Å; F147-Y176 AromaticContact CE2-CE2 3.48Å; F147-Y176 HydrophobicContact CE2-CE2 3.48Å; F147-Y176 VanDerWaalsContact CE2-CE2 3.48Å; F147-Y176 AromaticContact CE2-CZ 3.62Å; I172-Y176 HydrophobicContact CG2-CD2 4.06Å; I172-Y176 PolarHBondContact O-N 2.83Å; Y176-L180 HydrophobicContact CD2-CD2 4.36Å; Y176-L180 HydrophobicContact CG-CD2 4.39Å; Y176-I186 HydrophobicContact CD2-CD1 4.29Å; Y176-I186 HydrophobicContact CE2-CD1 3.89Å; Y176-I186 HydrophobicContact CE2-CG2 4.17Å
177	G	93.7	Very high	96.5	Very high	8 Å²	8	44.4 Å²	44.4	8%	0.082	23%	0.234	C	C	.	.			trans	85.5	174.6	-171.4	0	0	0	0	0	112.8	S173 I175 N179	S173-G177 CarbonylContact O-C 3.34Å; S173-G177 WeakPolarHBondContact O-CA 3.26Å; S173-G177 PolarHBondContact O-N 3.4Å; S173-G177 VanDerWaalsContact O-N 3.11Å; I175-G177 VanDerWaalsContact C-N 3.34Å; G177-N179 PolarHBondContact O-N 3.47Å
178	P	90.1	Very high	96.5	Very high	120 Å²	120	40.8 Å²	40.8	78%	0.779	21%	0.214	S	C	*	.	S	Bend	trans	-79.9	-17.8	-167.8	30.7	-36.8	0	0	0	114.6
179	N	90.8	Very high	96.6	Very high	59 Å²	59	40.6 Å²	40.6	32%	0.316	21%	0.213	S	C	.	.			trans	-111.6	116.5	-177.8	-176.8	-32.5	0	0	0	110	Q127 G177 D181	Q127-N179 PolarHBondContact NE2-O 2.98Å; Q127-N179 PolarHBondContact NE2-OD1 2.9Å; G177-N179 PolarHBondContact O-N 3.47Å; N179-D181 PolarHBondContact ND2-OD2 3.21Å; N179-D181 VanDerWaalsContact OD1-CB 3.23Å; N179-D181 WeakPolarHBondContact OD1-CB 3.5Å; N179-D181 PolarHBondContact OD1-N 3.31Å; N179-D181 PolarHBondContact OD1-OD2 3.38Å; N179-D181 VanDerWaalsContact OD1-OD2 3.11Å
180	L	95.6	Very high	96.6	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.073	20%	0.197	C	C	.	.			trans	-112.4	14.9	177.8	-56.3	178.5	0	0	0	112.8	I172 Y176 R182 V183 L202 L205 I207	I172-L180 HydrophobicContact CG2-CD1 4.04Å; Y176-L180 HydrophobicContact CD2-CD2 4.36Å; Y176-L180 HydrophobicContact CG-CD2 4.39Å; L180-R182 PolarHBondContact O-N 3.16Å; L180-R182 VanDerWaalsContact O-N 3.08Å; L180-V183 HydrophobicContact CB-CB 4.33Å; L180-V183 HydrophobicContact CB-CG2 4.1Å; L180-V183 HydrophobicContact CD2-CG2 4.04Å; L180-V183 WeakPolarHBondContact O-CB 3.35Å; L180-V183 PolarHBondContact O-N 2.88Å; L180-L202 HydrophobicContact CD1-CD2 4.07Å; L180-L205 HydrophobicContact CD1-CD1 4Å; L180-I207 HydrophobicContact CB-CD1 3.87Å; L180-I207 HydrophobicContact CD1-CD1 4.04Å
181	D	93.7	Very high	96.6	Very high	127 Å²	127	34.7 Å²	34.7	68%	0.679	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.5	-171.8	-63.3	-22.3	0	0	0	113.5	N179	N179-D181 PolarHBondContact ND2-OD2 3.21Å; N179-D181 VanDerWaalsContact OD1-CB 3.23Å; N179-D181 WeakPolarHBondContact OD1-CB 3.5Å; N179-D181 PolarHBondContact OD1-N 3.31Å; N179-D181 PolarHBondContact OD1-OD2 3.38Å; N179-D181 VanDerWaalsContact OD1-OD2 3.11Å
182	R	95.3	Very high	96.6	Very high	52 Å²	52	34.9 Å²	34.9	20%	0.196	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.2	179	-159.5	63.7	160.5	155.9	-0.1	113.2	Y126 Q127 Y129 G140 I141 L180	Y126-R182 WeakPolarHBondContact O-CG 3.46Å; Y126-R182 PolarHBondContact O-NE 3.5Å; Q127-R182 HydrophobicContact CG-CB 3.82Å; Y129-R182 PolarHBondContact O-NH2 3.15Å; Y129-R182 VanDerWaalsContact O-NH2 3.12Å; G140-R182 CarbonylContact C-O 3.53Å; G140-R182 WeakPolarHBondContact CA-O 3.5Å; I141-R182 PolarHBondContact N-O 3.19Å; L180-R182 PolarHBondContact O-N 3.16Å; L180-R182 VanDerWaalsContact O-N 3.08Å
183	V	98.2	Very high	96.6	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.5	178.3	-174.1	0	0	0	0	108.9	I141 L143 L180 I186 I207	I141-V183 HydrophobicContact CD1-CG2 3.99Å; I141-V183 HydrophobicContact CG1-CB 4.32Å; I141-V183 HydrophobicContact CG1-CG2 3.92Å; L143-V183 HydrophobicContact CD1-CG1 3.93Å; L143-V183 HydrophobicContact CD1-CG2 3.89Å; L143-V183 HydrophobicContact CG-CG1 4.08Å; L143-V183 HydrophobicContact CG-CG2 4.46Å; L180-V183 HydrophobicContact CB-CB 4.33Å; L180-V183 HydrophobicContact CB-CG2 4.1Å; L180-V183 HydrophobicContact CD2-CG2 4.04Å; L180-V183 WeakPolarHBondContact O-CB 3.35Å; L180-V183 PolarHBondContact O-N 2.88Å; V183-I186 HydrophobicContact CG1-CD1 3.89Å; V183-I186 HydrophobicContact CG1-CG1 3.55Å; V183-I207 HydrophobicContact CB-CD1 4.19Å; V183-I207 HydrophobicContact CG1-CD1 4.29Å; V183-I207 HydrophobicContact CG1-CG2 4.21Å
184	K	98.3	Very high	96.7	Very high	68 Å²	68	39.9 Å²	39.9	30%	0.296	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-31.9	179.3	-65.9	-56.9	-178.5	-164.6	0	112.7	L139 I141 V208 L377	L139-K184 WeakPolarHBondContact O-CE 3.32Å; I141-K184 PolarHBondContact O-N 2.65Å; K184-V208 WeakPolarHBondContact O-CB 3.34Å; K184-V208 PolarHBondContact O-N 3.42Å; K184-L377 HydrophobicContact CB-CD2 4.09Å
185	M	98.7	Very high	96.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.3	-177.4	-173.9	175	-80.5	0	0	109.9	I141 H142 L143 V208 F231 V376	I141-M185 PolarHBondContact O-N 3.11Å; H142-M185 CarbonylContact C-O 3.5Å; H142-M185 WeakPolarHBondContact CA-O 3.39Å; H142-M185 HydrophobicContact CB-CB 4.14Å; L143-M185 PolarHBondContact N-O 3.42Å; M185-V208 CarbonylContact C-O 3.42Å; M185-V208 WeakPolarHBondContact CA-O 3.42Å; M185-V208 HydrophobicContact CB-CB 4.3Å; M185-V208 HydrophobicContact CE-CB 4Å; M185-V208 HydrophobicContact CE-CG1 3.58Å; M185-V208 HydrophobicContact CG-CB 4.22Å; M185-V208 HydrophobicContact CG-CG1 4.34Å; M185-V208 WeakPolarHBondContact CG-O 3.32Å; M185-F231 HydrophobicContact CE-CB 4.22Å; M185-F231 HydrophobicContact CE-CD1 3.71Å; M185-F231 HydrophobicContact CE-CD2 4.18Å; M185-F231 HydrophobicContact CE-CE1 4.06Å; M185-F231 HydrophobicContact CE-CG 3.78Å; M185-F231 HydrophobicContact CE-CZ 4.47Å; M185-F231 HydrophobicContact SD-CD1 4.04Å; M185-F231 HydrophobicContact SD-CE1 4.32Å; M185-V376 HydrophobicContact CE-CG1 3.81Å
186	I	98.8	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.9	171.2	-60.5	176.4	0	0	0	107.9	L143 Y176 V183 I188 L202 I207 V208 S210	L143-I186 HydrophobicContact CB-CG1 4.15Å; L143-I186 HydrophobicContact CD1-CD1 4.3Å; L143-I186 HydrophobicContact CD1-CG1 4.21Å; L143-I186 HydrophobicContact CG-CG1 4.46Å; L143-I186 CarbonylContact O-C 3.53Å; L143-I186 WeakPolarHBondContact O-CA 3.34Å; Y176-I186 HydrophobicContact CD2-CD1 4.29Å; Y176-I186 HydrophobicContact CE2-CD1 3.89Å; Y176-I186 HydrophobicContact CE2-CG2 4.17Å; V183-I186 HydrophobicContact CG1-CD1 3.89Å; V183-I186 HydrophobicContact CG1-CG1 3.55Å; I186-I188 HydrophobicContact CG2-CG2 3.88Å; I186-L202 HydrophobicContact CB-CD1 4.29Å; I186-L202 HydrophobicContact CD1-CD1 3.88Å; I186-L202 HydrophobicContact CD1-CD2 3.61Å; I186-L202 HydrophobicContact CD1-CG 4.31Å; I186-L202 HydrophobicContact CG2-CD1 4.26Å; I186-I207 HydrophobicContact CB-CG2 4.37Å; I186-I207 HydrophobicContact CD1-CD1 4.26Å; I186-I207 HydrophobicContact CD1-CG2 4.04Å; I186-I207 HydrophobicContact CG1-CG2 3.82Å; I186-V208 PolarHBondContact N-O 3.36Å; I186-S210 PolarHBondContact O-N 2.8Å
187	T	98.8	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.2	171.3	-63	0	0	0	0	110.2	H142 L143 E144 I148 S210 T233	H142-T187 PolarHBondContact CE1-OG1 2.79Å; H142-T187 PolarHBondContact NE2-OG1 2.99Å; L143-T187 PolarHBondContact O-N 2.86Å; E144-T187 HydrophobicContact CG-CG2 4.36Å; I148-T187 HydrophobicContact CG2-CG2 4.25Å; T187-S210 CarbonylContact C-O 3.53Å; T187-S210 VanDerWaalsContact CA-O 3.31Å; T187-S210 WeakPolarHBondContact CA-O 3.45Å; T187-T233 HydrophobicContact CG2-CG2 4.39Å; T187-T233 WeakPolarHBondContact CG2-OG1 3.46Å; T187-T233 PolarHBondContact OG1-OG1 2.78Å
188	I	98.8	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.3	178.2	73.4	170.4	0	0	0	111.4	F147 F164 I186 A195 A199 V209 S210 I211 G212 V224	F147-I188 HydrophobicContact CB-CG2 4.48Å; F147-I188 CarbonylContact O-C 3.26Å; F147-I188 VanDerWaalsContact O-CA 3.26Å; F147-I188 WeakPolarHBondContact O-CA 3.41Å; F164-I188 HydrophobicContact CE2-CB 4.29Å; F164-I188 HydrophobicContact CE2-CG2 4.4Å; F164-I188 HydrophobicContact CZ-CB 4.13Å; F164-I188 HydrophobicContact CZ-CG2 3.75Å; I186-I188 HydrophobicContact CG2-CG2 3.88Å; I188-A195 HydrophobicContact CD1-CB 4.49Å; I188-A199 HydrophobicContact CD1-CB 4.13Å; I188-V209 HydrophobicContact CD1-CG1 3.52Å; I188-V209 HydrophobicContact CG1-CG1 3.84Å; I188-S210 PolarHBondContact N-O 3.46Å; I188-I211 WeakPolarHBondContact O-CA 3.24Å; I188-G212 PolarHBondContact O-N 3.16Å; I188-V224 HydrophobicContact CD1-CG1 4.32Å
189	A	98.6	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.			trans	-90	120.6	167.2	0	0	0	0	0	110.2	F147 E191 L192	F147-A189 PolarHBondContact O-N 2.91Å; A189-E191 VanDerWaalsContact C-N 3.29Å; A189-E191 WeakPolarHBondContact CB-OE2 3.49Å; A189-E191 PolarHBondContact O-N 3.48Å; A189-L192 HydrophobicContact CB-CD1 4.03Å; A189-L192 HydrophobicContact CB-CG 3.97Å; A189-L192 WeakPolarHBondContact O-CG 3.48Å; A189-L192 PolarHBondContact O-N 2.87Å
190	P	98	Very high	97.9	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.045	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.3	-174.4	-23.6	35.4	0	0	0	115.2	L192 A195 I211 T214 C216 S220 V224	P190-L192 PolarHBondContact O-N 3.32Å; P190-A195 WeakPolarHBondContact O-CB 3.21Å; P190-I211 HydrophobicContact CG-CB 4.37Å; P190-I211 HydrophobicContact CG-CD1 4.4Å; P190-I211 HydrophobicContact CG-CG1 4.17Å; P190-I211 HydrophobicContact CG-CG2 3.45Å; P190-I211 VanDerWaalsContact CG-CG2 3.45Å; P190-T214 VanDerWaalsContact CD-OG1 3.24Å; P190-T214 WeakPolarHBondContact CD-OG1 3.49Å; P190-C216 HydrophobicContact CB-CB 3.99Å; P190-C216 HydrophobicContact CG-CB 4.13Å; P190-S220 WeakPolarHBondContact CB-O 3.36Å; P190-V224 HydrophobicContact CB-CB 4.45Å; P190-V224 HydrophobicContact CB-CG1 3.88Å; P190-V224 HydrophobicContact CB-CG2 3.67Å; P190-V224 HydrophobicContact CG-CG2 3.71Å
191	E	97.6	Very high	98	Very high	55 Å²	55	34.6 Å²	34.6	26%	0.257	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.7	-178.9	69.9	-88.8	-149.2	0	0	113.7	S149 A189 T214 N215 C216	S149-E191 WeakPolarHBondContact CB-OE1 3.45Å; S149-E191 PolarHBondContact OG-OE1 3.47Å; A189-E191 VanDerWaalsContact C-N 3.29Å; A189-E191 WeakPolarHBondContact CB-OE2 3.49Å; A189-E191 PolarHBondContact O-N 3.48Å; E191-T214 PolarHBondContact OE2-OG1 2.83Å; E191-N215 PolarHBondContact OE1-N 3.38Å; E191-C216 HydrophobicContact CB-CB 4.28Å; E191-C216 WeakPolarHBondContact OE2-CB 3.43Å; E191-C216 PolarHBondContact OE2-N 3.07Å
192	L	98.3	Very high	98.3	Very high	33 Å²	33	28.6 Å²	28.6	17%	0.173	15%	0.152	C	C	.	.	S	Bend	trans	-69.1	134.8	178.7	-61.6	179	0	0	0	110.4	F147 F164 A189 P190 G194 A195	F147-L192 VanDerWaalsContact C-CD1 3.42Å; F147-L192 HydrophobicContact CB-CD1 4.19Å; F147-L192 VanDerWaalsContact O-CD1 3.31Å; F147-L192 WeakPolarHBondContact O-CD1 3.38Å; F164-L192 HydrophobicContact CD2-CB 4.07Å; F164-L192 HydrophobicContact CD2-CD1 4.36Å; F164-L192 HydrophobicContact CE2-CB 4.48Å; F164-L192 HydrophobicContact CE2-CD1 4.28Å; A189-L192 HydrophobicContact CB-CD1 4.03Å; A189-L192 HydrophobicContact CB-CG 3.97Å; A189-L192 WeakPolarHBondContact O-CG 3.48Å; A189-L192 PolarHBondContact O-N 2.87Å; P190-L192 PolarHBondContact O-N 3.32Å; L192-G194 PolarHBondContact O-N 2.85Å; L192-A195 HydrophobicContact CB-CB 4.44Å; L192-A195 WeakPolarHBondContact O-CB 3.14Å; L192-A195 PolarHBondContact O-N 2.88Å
193	E	98	Very high	98.4	Very high	136 Å²	136	27.5 Å²	27.5	64%	0.636	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	124.4	173.4	-175.8	-177.9	-173.7	0	0	109.8	F164 G165	F164-E193 WeakPolarHBondContact CB-O 3.44Å; G165-E193 PolarHBondContact N-O 3.22Å
194	G	98.3	Very high	98.4	Very high	19 Å²	19	31.6 Å²	31.6	20%	0.196	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	0.3	-178.8	0	0	0	0	0	115.8	P168 L192 S196 T197 A198	P168-G194 WeakPolarHBondContact CG-O 3.48Å; L192-G194 PolarHBondContact O-N 2.85Å; G194-S196 VanDerWaalsContact C-N 3.32Å; G194-S196 PolarHBondContact O-N 3.21Å; G194-T197 PolarHBondContact O-N 2.85Å; G194-A198 PolarHBondContact O-N 2.75Å
195	A	98.6	Very high	98.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-35.5	-177	0	0	0	0	0	114.3	F164 I188 P190 L192 A198 A199 V224	F164-A195 HydrophobicContact CD2-CB 4.23Å; F164-A195 HydrophobicContact CE2-CB 4.13Å; I188-A195 HydrophobicContact CD1-CB 4.49Å; P190-A195 WeakPolarHBondContact O-CB 3.21Å; L192-A195 HydrophobicContact CB-CB 4.44Å; L192-A195 WeakPolarHBondContact O-CB 3.14Å; L192-A195 PolarHBondContact O-N 2.88Å; A195-A198 PolarHBondContact O-N 3.49Å; A195-A199 VanDerWaalsContact O-CB 3.31Å; A195-A199 WeakPolarHBondContact O-CB 3.27Å; A195-A199 PolarHBondContact O-N 2.96Å; A195-V224 HydrophobicContact CB-CG1 3.87Å
196	S	98.1	Very high	98.2	Very high	40 Å²	40	34.1 Å²	34.1	28%	0.28	21%	0.207	S	C	.	.	H	α-helix	trans	-67.4	-43.9	177.3	55.7	0	0	0	0	112.4	G194 A199 A200 S223 S227	G194-S196 VanDerWaalsContact C-N 3.32Å; G194-S196 PolarHBondContact O-N 3.21Å; S196-A199 PolarHBondContact O-N 2.65Å; S196-A200 PolarHBondContact O-N 2.73Å; S196-S223 WeakPolarHBondContact CB-OG 3.22Å; S196-S227 WeakPolarHBondContact CB-OG 3.32Å; S196-S227 VanDerWaalsContact O-CB 3.26Å; S196-S227 WeakPolarHBondContact O-CB 3.32Å
197	T	98.6	Very high	98.2	Very high	69 Å²	69	34.3 Å²	34.3	42%	0.423	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-43	173	-56.9	0	0	0	0	111.3	P168 I169 G194 A200 Y201	P168-T197 HydrophobicContact CG-CG2 4.3Å; I169-T197 HydrophobicContact CD1-CG2 4.39Å; G194-T197 PolarHBondContact O-N 2.85Å; T197-A200 PolarHBondContact O-N 3.3Å; T197-Y201 WeakPolarHBondContact O-CB 3.28Å; T197-Y201 PolarHBondContact O-N 3.34Å
198	A	98.7	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-48.4	173.4	0	0	0	0	0	111.5	F164 P168 I172 G194 A195 A200 Y201 L202	F164-A198 HydrophobicContact CD1-CB 3.73Å; F164-A198 HydrophobicContact CD2-CB 4.15Å; F164-A198 HydrophobicContact CE1-CB 3.5Å; F164-A198 HydrophobicContact CE2-CB 3.95Å; F164-A198 HydrophobicContact CG-CB 4.04Å; F164-A198 HydrophobicContact CZ-CB 3.62Å; P168-A198 HydrophobicContact CB-CB 4.02Å; I172-A198 HydrophobicContact CD1-CB 3.87Å; G194-A198 PolarHBondContact O-N 2.75Å; A195-A198 PolarHBondContact O-N 3.49Å; A198-A200 PolarHBondContact O-N 3Å; A198-Y201 PolarHBondContact O-N 2.89Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 VanDerWaalsContact O-CG 3.24Å; A198-L202 WeakPolarHBondContact O-CG 3.3Å; A198-L202 PolarHBondContact O-N 3.34Å
199	A	98.4	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-45.8	179.6	0	0	0	0	0	111.8	I188 A195 S196 Y201 L202 S203 V209 V224 S227	I188-A199 HydrophobicContact CD1-CB 4.13Å; A195-A199 VanDerWaalsContact O-CB 3.31Å; A195-A199 WeakPolarHBondContact O-CB 3.27Å; A195-A199 PolarHBondContact O-N 2.96Å; S196-A199 PolarHBondContact O-N 2.65Å; A199-Y201 PolarHBondContact O-N 2.89Å; A199-L202 PolarHBondContact O-N 3.28Å; A199-S203 WeakPolarHBondContact O-CB 3.31Å; A199-S203 PolarHBondContact O-N 2.98Å; A199-V209 HydrophobicContact CB-CG1 3.99Å; A199-V224 HydrophobicContact CB-CB 4.22Å; A199-S227 CarbonylContact C-O 3.53Å
200	A	98.5	Very high	98.1	Very high	48 Å²	48	34.6 Å²	34.6	40%	0.397	21%	0.21	S	C	.	.	H	α-helix	trans	-61.3	-45.2	177.4	0	0	0	0	0	112	S196 T197 A198 S204 S227	S196-A200 PolarHBondContact O-N 2.73Å; T197-A200 PolarHBondContact O-N 3.3Å; A198-A200 PolarHBondContact O-N 3Å; A200-S204 WeakPolarHBondContact O-CB 3.36Å; A200-S204 PolarHBondContact O-N 2.77Å; A200-S227 WeakPolarHBondContact CA-O 3.3Å; A200-S227 PolarHBondContact N-O 3.25Å
201	Y	98.6	Very high	98.1	Very high	66 Å²	66	34.3 Å²	34.3	26%	0.259	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-53.6	176.9	171.3	-116	0	0	0	111.8	I169 I172 T197 A198 A199 S203 S204 L205	I169-Y201 HydrophobicContact CG1-CD1 4.14Å; I169-Y201 HydrophobicContact CG1-CD2 4.2Å; I169-Y201 HydrophobicContact CG1-CG 3.87Å; I169-Y201 HydrophobicContact CG2-CD1 4.47Å; I169-Y201 HydrophobicContact CG2-CD2 4.42Å; I169-Y201 HydrophobicContact CG2-CE1 4.2Å; I169-Y201 HydrophobicContact CG2-CE2 4.15Å; I172-Y201 HydrophobicContact CD1-CD1 4.06Å; I172-Y201 HydrophobicContact CG2-CE1 4.12Å; T197-Y201 WeakPolarHBondContact O-CB 3.28Å; T197-Y201 PolarHBondContact O-N 3.34Å; A198-Y201 PolarHBondContact O-N 2.89Å; A199-Y201 PolarHBondContact O-N 2.89Å; Y201-S203 PolarHBondContact O-N 2.79Å; Y201-S204 WeakPolarHBondContact O-CB 3.3Å; Y201-S204 PolarHBondContact O-N 3.34Å; Y201-S204 VanDerWaalsContact O-N 3.14Å; Y201-S204 PolarHBondContact O-OG 3.15Å; Y201-L205 HydrophobicContact CE1-CD1 3.99Å; Y201-L205 HydrophobicContact CE2-CD1 4.14Å; Y201-L205 HydrophobicContact CE2-CD2 4.37Å; Y201-L205 HydrophobicContact CE2-CG 4.36Å; Y201-L205 PolarHBondContact O-N 3.45Å
202	L	98.5	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-42.8	-178.6	-67.6	174.2	0	0	0	112	I172 L180 I186 A198 A199 S204 L205 I207 V209	I172-L202 HydrophobicContact CD1-CD1 4.19Å; I172-L202 HydrophobicContact CD1-CD2 4.15Å; I172-L202 HydrophobicContact CD1-CG 4.09Å; I172-L202 HydrophobicContact CG2-CD2 4.26Å; L180-L202 HydrophobicContact CD1-CD2 4.07Å; I186-L202 HydrophobicContact CB-CD1 4.29Å; I186-L202 HydrophobicContact CD1-CD1 3.88Å; I186-L202 HydrophobicContact CD1-CD2 3.61Å; I186-L202 HydrophobicContact CD1-CG 4.31Å; I186-L202 HydrophobicContact CG2-CD1 4.26Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 VanDerWaalsContact O-CG 3.24Å; A198-L202 WeakPolarHBondContact O-CG 3.3Å; A198-L202 PolarHBondContact O-N 3.34Å; A199-L202 PolarHBondContact O-N 3.28Å; L202-S204 VanDerWaalsContact C-N 3.29Å; L202-S204 PolarHBondContact O-N 2.7Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 PolarHBondContact O-N 3.44Å; L202-L205 VanDerWaalsContact O-N 3.08Å; L202-I207 HydrophobicContact CD2-CD1 4.16Å; L202-I207 WeakPolarHBondContact O-CB 3.24Å; L202-I207 PolarHBondContact O-N 3.1Å; L202-V209 HydrophobicContact CB-CG2 3.51Å; L202-V209 HydrophobicContact CD1-CG2 4.25Å
203	S	97.6	Very high	98.2	Very high	29 Å²	29	30.4 Å²	30.4	20%	0.203	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-36.2	176.3	-166.4	0	0	0	0	111.8	A199 Y201 L205 G206 G228	A199-S203 WeakPolarHBondContact O-CB 3.31Å; A199-S203 PolarHBondContact O-N 2.98Å; Y201-S203 PolarHBondContact O-N 2.79Å; S203-L205 PolarHBondContact O-N 2.97Å; S203-G206 WeakPolarHBondContact O-CA 3.46Å; S203-G206 PolarHBondContact O-N 3.13Å; S203-G228 PolarHBondContact OG-O 3.46Å
204	S	97.8	Very high	98.2	Very high	92 Å²	92	24 Å²	24	64%	0.643	16%	0.158	S	C	*	.	H	α-helix	trans	-64.2	-25.3	174.8	82.4	0	0	0	0	113.6	A200 Y201 L202 G206	A200-S204 WeakPolarHBondContact O-CB 3.36Å; A200-S204 PolarHBondContact O-N 2.77Å; Y201-S204 WeakPolarHBondContact O-CB 3.3Å; Y201-S204 PolarHBondContact O-N 3.34Å; Y201-S204 VanDerWaalsContact O-N 3.14Å; Y201-S204 PolarHBondContact O-OG 3.15Å; L202-S204 VanDerWaalsContact C-N 3.29Å; L202-S204 PolarHBondContact O-N 2.7Å; S204-G206 PolarHBondContact O-N 2.91Å
205	L	97.3	Very high	98.1	Very high	84 Å²	84	25.6 Å²	25.6	44%	0.44	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.4	172.3	-57.6	178.7	0	0	0	112.9	L180 Y201 L202 S203 I207	L180-L205 HydrophobicContact CD1-CD1 4Å; Y201-L205 HydrophobicContact CE1-CD1 3.99Å; Y201-L205 HydrophobicContact CE2-CD1 4.14Å; Y201-L205 HydrophobicContact CE2-CD2 4.37Å; Y201-L205 HydrophobicContact CE2-CG 4.36Å; Y201-L205 PolarHBondContact O-N 3.45Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 PolarHBondContact O-N 3.44Å; L202-L205 VanDerWaalsContact O-N 3.08Å; S203-L205 PolarHBondContact O-N 2.97Å; L205-I207 VanDerWaalsContact C-N 3.3Å; L205-I207 HydrophobicContact CB-CD1 4.16Å; L205-I207 HydrophobicContact CB-CG1 4.23Å; L205-I207 HydrophobicContact CD1-CD1 4.22Å
206	G	96.2	Very high	98	Very high	37 Å²	37	25.6 Å²	25.6	38%	0.381	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	11.6	-175.6	0	0	0	0	0	114.4	S203 S204	S203-G206 WeakPolarHBondContact O-CA 3.46Å; S203-G206 PolarHBondContact O-N 3.13Å; S204-G206 PolarHBondContact O-N 2.91Å
207	I	98.3	Very high	97.8	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	16%	0.164	C	C	.	.			trans	-79.7	135.6	175.3	-62	170.8	0	0	0	108.9	L180 V183 I186 L202 L205 V209	L180-I207 HydrophobicContact CB-CD1 3.87Å; L180-I207 HydrophobicContact CD1-CD1 4.04Å; V183-I207 HydrophobicContact CB-CD1 4.19Å; V183-I207 HydrophobicContact CG1-CD1 4.29Å; V183-I207 HydrophobicContact CG1-CG2 4.21Å; I186-I207 HydrophobicContact CB-CG2 4.37Å; I186-I207 HydrophobicContact CD1-CD1 4.26Å; I186-I207 HydrophobicContact CD1-CG2 4.04Å; I186-I207 HydrophobicContact CG1-CG2 3.82Å; L202-I207 HydrophobicContact CD2-CD1 4.16Å; L202-I207 WeakPolarHBondContact O-CB 3.24Å; L202-I207 PolarHBondContact O-N 3.1Å; L205-I207 VanDerWaalsContact C-N 3.3Å; L205-I207 HydrophobicContact CB-CD1 4.16Å; L205-I207 HydrophobicContact CB-CG1 4.23Å; L205-I207 HydrophobicContact CD1-CD1 4.22Å; I207-V209 PolarHBondContact O-N 3.05Å
208	V	98.3	Very high	97.6	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.036	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	113.2	172.6	-178.4	0	0	0	0	109	K184 M185 I186 F231 V376 L377	K184-V208 WeakPolarHBondContact O-CB 3.34Å; K184-V208 PolarHBondContact O-N 3.42Å; M185-V208 CarbonylContact C-O 3.42Å; M185-V208 WeakPolarHBondContact CA-O 3.42Å; M185-V208 HydrophobicContact CB-CB 4.3Å; M185-V208 HydrophobicContact CE-CB 4Å; M185-V208 HydrophobicContact CE-CG1 3.58Å; M185-V208 HydrophobicContact CG-CB 4.22Å; M185-V208 HydrophobicContact CG-CG1 4.34Å; M185-V208 WeakPolarHBondContact CG-O 3.32Å; I186-V208 PolarHBondContact N-O 3.36Å; V208-F231 HydrophobicContact CG1-CB 3.77Å; V208-V376 HydrophobicContact CG1-CG1 4.14Å; V208-V376 HydrophobicContact CG2-CG1 4.29Å; V208-V376 VanDerWaalsContact CG2-O 3.28Å; V208-V376 WeakPolarHBondContact CG2-O 3.37Å; V208-L377 HydrophobicContact CG2-CD2 4.13Å
209	V	98.5	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.1	172.9	179.9	0	0	0	0	108.2	I188 A199 L202 I207 A229 T230 F231	I188-V209 HydrophobicContact CD1-CG1 3.52Å; I188-V209 HydrophobicContact CG1-CG1 3.84Å; A199-V209 HydrophobicContact CB-CG1 3.99Å; L202-V209 HydrophobicContact CB-CG2 3.51Å; L202-V209 HydrophobicContact CD1-CG2 4.25Å; I207-V209 PolarHBondContact O-N 3.05Å; V209-A229 HydrophobicContact CB-CB 4.11Å; V209-A229 HydrophobicContact CG1-CB 3.84Å; V209-A229 WeakPolarHBondContact O-CA 3.06Å; V209-T230 PolarHBondContact O-N 2.96Å; V209-T230 VanDerWaalsContact O-N 3.08Å; V209-F231 PolarHBondContact O-N 3.14Å
210	S	98.6	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.9	-179.5	-170.9	0	0	0	0	111.2	I186 T187 I188 F231 T233	I186-S210 PolarHBondContact O-N 2.8Å; T187-S210 CarbonylContact C-O 3.53Å; T187-S210 VanDerWaalsContact CA-O 3.31Å; T187-S210 WeakPolarHBondContact CA-O 3.45Å; I188-S210 PolarHBondContact N-O 3.46Å; S210-F231 CarbonylContact C-O 3.6Å; S210-F231 VanDerWaalsContact CA-O 3.31Å; S210-F231 WeakPolarHBondContact CA-O 3.23Å; S210-F231 WeakPolarHBondContact OG-CD1 3.4Å; S210-F231 PolarHBondContact OG-O 3.17Å; S210-T233 WeakPolarHBondContact CB-OG1 3.29Å; S210-T233 PolarHBondContact OG-N 2.71Å; S210-T233 PolarHBondContact OG-OG1 2.71Å
211	I	98.2	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.2	176.3	-59	172.2	0	0	0	108.5	I188 P190 T214 V224 A229 F231 V232 T233 I249 L252	I188-I211 WeakPolarHBondContact O-CA 3.24Å; P190-I211 HydrophobicContact CG-CB 4.37Å; P190-I211 HydrophobicContact CG-CD1 4.4Å; P190-I211 HydrophobicContact CG-CG1 4.17Å; P190-I211 HydrophobicContact CG-CG2 3.45Å; P190-I211 VanDerWaalsContact CG-CG2 3.45Å; I211-T214 HydrophobicContact CG2-CG2 3.98Å; I211-V224 HydrophobicContact CD1-CG2 3.64Å; I211-V224 HydrophobicContact CG1-CG2 3.94Å; I211-A229 HydrophobicContact CD1-CB 4.26Å; I211-A229 HydrophobicContact CG1-CB 4.14Å; I211-F231 PolarHBondContact N-O 3.12Å; I211-V232 HydrophobicContact CB-CG2 4.47Å; I211-V232 CarbonylContact O-C 3.38Å; I211-V232 VanDerWaalsContact O-CA 3.24Å; I211-V232 WeakPolarHBondContact O-CA 3.45Å; I211-V232 WeakPolarHBondContact O-CG1 3.07Å; I211-T233 PolarHBondContact O-N 3.27Å; I211-I249 HydrophobicContact CB-CD1 4.2Å; I211-I249 HydrophobicContact CG2-CD1 3.47Å; I211-I249 VanDerWaalsContact CG2-CD1 3.47Å; I211-I249 HydrophobicContact CG2-CG1 4.22Å; I211-L252 HydrophobicContact CD1-CD1 3.8Å
212	G	98.2	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.			trans	-168.9	169.9	179.7	0	0	0	0	0	112.3	I188 T214	I188-G212 PolarHBondContact O-N 3.16Å; G212-T214 VanDerWaalsContact C-N 3.33Å; G212-T214 PolarHBondContact O-N 3.21Å
213	H	98.3	Very high	96.7	Very high	7 Å²	7	34 Å²	34	3%	0.032	20%	0.195	C	C	.	.	S	Bend	trans	47.1	55.6	-179.4	-71.7	-93.4	0	0	0	112.1	E144 I148 S149 C152 A153 H156 H234 A238	E144-H213 IonicContact OE1-CD2 2.74Å; E144-H213 PolarHBondContact OE1-CD2 3.05Å; E144-H213 IonicContact OE1-NE2 2.79Å; E144-H213 PolarHBondContact OE1-NE2 3.46Å; I148-H213 HydrophobicContact CB-CB 3.59Å; I148-H213 HydrophobicContact CD1-CB 3.96Å; I148-H213 HydrophobicContact CG1-CB 4.37Å; I148-H213 HydrophobicContact CG2-CB 3.66Å; S149-H213 WeakPolarHBondContact CA-O 3.24Å; S149-H213 WeakPolarHBondContact CB-O 3.39Å; S149-H213 PolarHBondContact N-O 3.16Å; C152-H213 WeakPolarHBondContact O-CB 3.33Å; C152-H213 PolarHBondContact O-ND1 2.89Å; C152-H213 VanDerWaalsContact O-ND1 3.13Å; A153-H213 PolarHBondContact O-ND1 2.87Å; H156-H213 AromaticContact CD2-CE1 3.45Å; H156-H213 PolarHBondContact CD2-CE1 3.36Å; H156-H213 VanDerWaalsContact CD2-CE1 3.45Å; H156-H213 AromaticContact CD2-ND1 3.97Å; H156-H213 AromaticContact NE2-CE1 3.52Å; H156-H213 AromaticContact NE2-NE2 3.6Å; H213-H234 AromaticContact CD2-CE1 3.51Å; H213-H234 AromaticContact CD2-NE2 3.62Å; H213-H234 AromaticContact CE1-NE2 3.94Å; H213-H234 AromaticContact NE2-CE1 3.25Å; H213-H234 PolarHBondContact NE2-CE1 3.07Å; H213-H234 VanDerWaalsContact NE2-CE1 3.25Å; H213-H234 AromaticContact NE2-NE2 2.98Å; H213-H234 PolarHBondContact NE2-NE2 2.8Å; H213-A238 CarbonylContact C-O 3.49Å; H213-A238 VanDerWaalsContact CA-O 3.25Å; H213-A238 WeakPolarHBondContact CA-O 3.34Å; H213-A238 WeakPolarHBondContact ND1-CB 3.25Å
214	T	98.3	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.			trans	-137.5	142.1	-162	170.6	0	0	0	0	112.3	P190 E191 I211 G212 C216 A238 M239 P240 I249	P190-T214 VanDerWaalsContact CD-OG1 3.24Å; P190-T214 WeakPolarHBondContact CD-OG1 3.49Å; E191-T214 PolarHBondContact OE2-OG1 2.83Å; I211-T214 HydrophobicContact CG2-CG2 3.98Å; G212-T214 VanDerWaalsContact C-N 3.33Å; G212-T214 PolarHBondContact O-N 3.21Å; T214-C216 WeakPolarHBondContact OG1-CB 3.06Å; T214-C216 PolarHBondContact OG1-N 2.93Å; T214-C216 PolarHBondContact OG1-SG 3.23Å; T214-A238 PolarHBondContact N-O 3.36Å; T214-A238 VanDerWaalsContact N-O 3.17Å; T214-M239 WeakPolarHBondContact O-CA 3.17Å; T214-P240 WeakPolarHBondContact O-CD 3.29Å; T214-I249 HydrophobicContact CG2-CD1 4.49Å
215	N	96.7	Very high	96.5	Very high	53 Å²	53	29.3 Å²	29.3	28%	0.283	16%	0.161	S	C	.	.			trans	-104.7	20.5	169.2	-167	19.2	0	0	0	112.2	D151 E191 P240	D151-N215 HydrophobicContact CB-CB 4.3Å; D151-N215 PolarHBondContact OD2-ND2 2.88Å; E191-N215 PolarHBondContact OE1-N 3.38Å; N215-P240 HydrophobicContact CB-CG 4.46Å; N215-P240 WeakPolarHBondContact OD1-CG 3.36Å
216	C	96.4	Very high	96.4	Very high	2 Å²	2	30 Å²	30	1%	0.014	17%	0.173	C	C	.	.			trans	-56.3	150.1	-172.5	61.1	0	0	0	0	113.9	P190 E191 T214 H248	P190-C216 HydrophobicContact CB-CB 3.99Å; P190-C216 HydrophobicContact CG-CB 4.13Å; E191-C216 HydrophobicContact CB-CB 4.28Å; E191-C216 WeakPolarHBondContact OE2-CB 3.43Å; E191-C216 PolarHBondContact OE2-N 3.07Å; T214-C216 WeakPolarHBondContact OG1-CB 3.06Å; T214-C216 PolarHBondContact OG1-N 2.93Å; T214-C216 PolarHBondContact OG1-SG 3.23Å; C216-H248 WeakPolarHBondContact O-CA 3.5Å; C216-H248 WeakPolarHBondContact O-CB 3.28Å; C216-H248 PolarHBondContact O-ND1 3.24Å
217	D	94.7	Very high	96.4	Very high	56 Å²	56	29.9 Å²	29.9	30%	0.299	17%	0.166	S	C	.	.			trans	-82.9	176	159.7	56.9	21.4	0	0	0	111	E219 S220 A221	D217-E219 VanDerWaalsContact C-N 3.32Å; D217-E219 PolarHBondContact O-N 3.28Å; D217-S220 WeakPolarHBondContact OD1-CB 3.15Å; D217-S220 PolarHBondContact OD1-N 2.77Å; D217-S220 PolarHBondContact OD1-OG 2.99Å; D217-A221 WeakPolarHBondContact O-CB 3.45Å; D217-A221 PolarHBondContact O-N 3.15Å
218	Y	93	Very high	96.2	Very high	65 Å²	65	30.6 Å²	30.6	26%	0.255	18%	0.175	S	C	.	.	H	α-helix	trans	-63.4	-41.6	-177.8	169.4	-101	0	0	0	111.2	A221 E222 G251 L252	Y218-A221 PolarHBondContact O-N 3.46Å; Y218-E222 HydrophobicContact CE1-CB 4.35Å; Y218-E222 WeakPolarHBondContact O-CB 3.46Å; Y218-E222 PolarHBondContact O-N 3.22Å; Y218-E222 VanDerWaalsContact OH-CD 3.3Å; Y218-E222 PolarHBondContact OH-OE1 3.33Å; Y218-G251 WeakPolarHBondContact CE2-O 3.45Å; Y218-L252 HydrophobicContact CD2-CD2 4.46Å; Y218-L252 HydrophobicContact CE2-CD2 4.31Å
219	E	93.8	Very high	96.2	Very high	121 Å²	121	30.3 Å²	30.3	57%	0.565	17%	0.173	S	C	*	.	H	α-helix	trans	-64.1	-45.4	-175.7	-66.3	76.7	-174.8	0	0	111.6	D217 E222 S223	D217-E219 VanDerWaalsContact C-N 3.32Å; D217-E219 PolarHBondContact O-N 3.28Å; E219-E222 PolarHBondContact O-N 2.88Å; E219-S223 WeakPolarHBondContact O-CB 3.3Å; E219-S223 PolarHBondContact O-N 3.45Å
220	S	96	Very high	96	Very high	31 Å²	31	32.4 Å²	32.4	22%	0.217	19%	0.186	C	C	.	.	H	α-helix	trans	-64.6	-42.9	176	-54.9	0	0	0	0	111.1	P190 D217 S223 V224	P190-S220 WeakPolarHBondContact CB-O 3.36Å; D217-S220 WeakPolarHBondContact OD1-CB 3.15Å; D217-S220 PolarHBondContact OD1-N 2.77Å; D217-S220 PolarHBondContact OD1-OG 2.99Å; S220-S223 WeakPolarHBondContact O-CB 3.39Å; S220-S223 PolarHBondContact O-N 3.08Å; S220-V224 PolarHBondContact O-N 3.35Å
221	A	95.1	Very high	96	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-43.3	177.4	0	0	0	0	0	111.7	D217 Y218 S223 V224 L225 L252	D217-A221 WeakPolarHBondContact O-CB 3.45Å; D217-A221 PolarHBondContact O-N 3.15Å; Y218-A221 PolarHBondContact O-N 3.46Å; A221-S223 VanDerWaalsContact C-N 3.31Å; A221-S223 PolarHBondContact O-N 2.95Å; A221-V224 VanDerWaalsContact O-CG2 3.26Å; A221-V224 WeakPolarHBondContact O-CG2 3.32Å; A221-V224 PolarHBondContact O-N 3.05Å; A221-L225 WeakPolarHBondContact O-CB 3.19Å; A221-L225 PolarHBondContact O-N 3.25Å; A221-L225 VanDerWaalsContact O-N 3.12Å; A221-L252 HydrophobicContact CB-CD1 3.8Å; A221-L252 HydrophobicContact CB-CD2 3.82Å; A221-L252 HydrophobicContact CB-CG 3.86Å
222	E	93.9	Very high	96	Very high	72 Å²	72	32.5 Å²	32.5	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-66.6	-35.6	178	-176.5	177.2	-125.2	0	0	110.8	Y218 E219 L225 S226 L252	Y218-E222 HydrophobicContact CE1-CB 4.35Å; Y218-E222 WeakPolarHBondContact O-CB 3.46Å; Y218-E222 PolarHBondContact O-N 3.22Å; Y218-E222 VanDerWaalsContact OH-CD 3.3Å; Y218-E222 PolarHBondContact OH-OE1 3.33Å; E219-E222 PolarHBondContact O-N 2.88Å; E222-L225 PolarHBondContact O-N 3.02Å; E222-S226 VanDerWaalsContact O-CB 3.28Å; E222-S226 WeakPolarHBondContact O-CB 3.14Å; E222-S226 PolarHBondContact O-N 3.24Å; E222-S226 PolarHBondContact O-OG 3.2Å; E222-L252 HydrophobicContact CB-CD2 4.19Å
223	S	95.2	Very high	96	Very high	53 Å²	53	32.5 Å²	32.5	37%	0.371	19%	0.186	S	C	.	.	H	α-helix	trans	-62.5	-43.8	177.9	-173.4	0	0	0	0	112.5	S196 E219 S220 A221 S227	S196-S223 WeakPolarHBondContact CB-OG 3.22Å; E219-S223 WeakPolarHBondContact O-CB 3.3Å; E219-S223 PolarHBondContact O-N 3.45Å; S220-S223 WeakPolarHBondContact O-CB 3.39Å; S220-S223 PolarHBondContact O-N 3.08Å; A221-S223 VanDerWaalsContact C-N 3.31Å; A221-S223 PolarHBondContact O-N 2.95Å; S223-S227 WeakPolarHBondContact O-CB 3.48Å; S223-S227 PolarHBondContact O-N 3.1Å; S223-S227 VanDerWaalsContact O-N 3.16Å; S223-S227 PolarHBondContact O-OG 3.29Å
224	V	96.3	Very high	96	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-75.7	-34.4	178.3	-60.9	0	0	0	0	112.2	I188 P190 A195 A199 I211 S220 A221 S226 S227 G228 A229	I188-V224 HydrophobicContact CD1-CG1 4.32Å; P190-V224 HydrophobicContact CB-CB 4.45Å; P190-V224 HydrophobicContact CB-CG1 3.88Å; P190-V224 HydrophobicContact CB-CG2 3.67Å; P190-V224 HydrophobicContact CG-CG2 3.71Å; A195-V224 HydrophobicContact CB-CG1 3.87Å; A199-V224 HydrophobicContact CB-CB 4.22Å; I211-V224 HydrophobicContact CD1-CG2 3.64Å; I211-V224 HydrophobicContact CG1-CG2 3.94Å; S220-V224 PolarHBondContact O-N 3.35Å; A221-V224 VanDerWaalsContact O-CG2 3.26Å; A221-V224 WeakPolarHBondContact O-CG2 3.32Å; A221-V224 PolarHBondContact O-N 3.05Å; V224-S226 VanDerWaalsContact C-N 3.34Å; V224-S227 CarbonylContact O-C 3.48Å; V224-S227 WeakPolarHBondContact O-CA 3.42Å; V224-S227 PolarHBondContact O-N 2.54Å; V224-G228 PolarHBondContact O-N 3.34Å; V224-G228 VanDerWaalsContact O-N 3.14Å; V224-A229 HydrophobicContact CB-CB 4.31Å; V224-A229 HydrophobicContact CG2-CB 4.24Å; V224-A229 WeakPolarHBondContact O-CB 3.33Å; V224-A229 PolarHBondContact O-N 3.04Å
225	L	94.9	Very high	96	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.12	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-45.9	173.2	-173.7	69.6	0	0	0	110.5	A221 E222 S227 G228 A229 L252 L260	A221-L225 WeakPolarHBondContact O-CB 3.19Å; A221-L225 PolarHBondContact O-N 3.25Å; A221-L225 VanDerWaalsContact O-N 3.12Å; E222-L225 PolarHBondContact O-N 3.02Å; L225-S227 PolarHBondContact O-N 3.45Å; L225-G228 PolarHBondContact O-N 2.85Å; L225-G228 VanDerWaalsContact O-N 3.1Å; L225-A229 WeakPolarHBondContact CD1-O 2.99Å; L225-L252 HydrophobicContact CD2-CD2 4.15Å; L225-L260 HydrophobicContact CD1-CD1 4.04Å
226	S	94.5	Very high	96	Very high	99 Å²	99	32.3 Å²	32.3	69%	0.692	18%	0.183	S	C	*	.	H	α-helix	trans	-65.8	-20.5	175.2	-58.3	0	0	0	0	113	E222 V224	E222-S226 VanDerWaalsContact O-CB 3.28Å; E222-S226 WeakPolarHBondContact O-CB 3.14Å; E222-S226 PolarHBondContact O-N 3.24Å; E222-S226 PolarHBondContact O-OG 3.2Å; V224-S226 VanDerWaalsContact C-N 3.34Å
227	S	96.4	Very high	96	Very high	33 Å²	33	33.6 Å²	33.6	23%	0.231	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	8	177	-55.4	0	0	0	0	112.9	S196 A199 A200 S223 V224 L225	S196-S227 WeakPolarHBondContact CB-OG 3.32Å; S196-S227 VanDerWaalsContact O-CB 3.26Å; S196-S227 WeakPolarHBondContact O-CB 3.32Å; A199-S227 CarbonylContact C-O 3.53Å; A200-S227 WeakPolarHBondContact CA-O 3.3Å; A200-S227 PolarHBondContact N-O 3.25Å; S223-S227 WeakPolarHBondContact O-CB 3.48Å; S223-S227 PolarHBondContact O-N 3.1Å; S223-S227 VanDerWaalsContact O-N 3.16Å; S223-S227 PolarHBondContact O-OG 3.29Å; V224-S227 CarbonylContact O-C 3.48Å; V224-S227 WeakPolarHBondContact O-CA 3.42Å; V224-S227 PolarHBondContact O-N 2.54Å; L225-S227 PolarHBondContact O-N 3.45Å
228	G	95.8	Very high	96.1	Very high	20 Å²	20	32.3 Å²	32.3	21%	0.206	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	104	12.3	170.1	0	0	0	0	0	116.3	S203 V224 L225	S203-G228 PolarHBondContact OG-O 3.46Å; V224-G228 PolarHBondContact O-N 3.34Å; V224-G228 VanDerWaalsContact O-N 3.14Å; L225-G228 PolarHBondContact O-N 2.85Å; L225-G228 VanDerWaalsContact O-N 3.1Å
229	A	96.5	Very high	96.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.2	163	0	0	0	0	0	110.9	V209 I211 V224 L225	V209-A229 HydrophobicContact CB-CB 4.11Å; V209-A229 HydrophobicContact CG1-CB 3.84Å; V209-A229 WeakPolarHBondContact O-CA 3.06Å; I211-A229 HydrophobicContact CD1-CB 4.26Å; I211-A229 HydrophobicContact CG1-CB 4.14Å; V224-A229 HydrophobicContact CB-CB 4.31Å; V224-A229 HydrophobicContact CG2-CB 4.24Å; V224-A229 WeakPolarHBondContact O-CB 3.33Å; V224-A229 PolarHBondContact O-N 3.04Å; L225-A229 WeakPolarHBondContact CD1-O 2.99Å
230	T	96.1	Very high	96.4	Very high	44 Å²	44	25.7 Å²	25.7	27%	0.27	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	0.7	-172.3	59.6	0	0	0	0	114.1	V209 H261	V209-T230 PolarHBondContact O-N 2.96Å; V209-T230 VanDerWaalsContact O-N 3.08Å; T230-H261 PolarHBondContact O-N 3.47Å; T230-H261 VanDerWaalsContact O-N 3.15Å
231	F	97.9	Very high	96.3	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.1	-176.9	-158.2	-98.1	0	0	0	110.9	V71 M185 V208 V209 S210 I211 H261 G263 T288 V376	V71-F231 HydrophobicContact CG2-CZ 4.25Å; M185-F231 HydrophobicContact CE-CB 4.22Å; M185-F231 HydrophobicContact CE-CD1 3.71Å; M185-F231 HydrophobicContact CE-CD2 4.18Å; M185-F231 HydrophobicContact CE-CE1 4.06Å; M185-F231 HydrophobicContact CE-CG 3.78Å; M185-F231 HydrophobicContact CE-CZ 4.47Å; M185-F231 HydrophobicContact SD-CD1 4.04Å; M185-F231 HydrophobicContact SD-CE1 4.32Å; V208-F231 HydrophobicContact CG1-CB 3.77Å; V209-F231 PolarHBondContact O-N 3.14Å; S210-F231 CarbonylContact C-O 3.6Å; S210-F231 VanDerWaalsContact CA-O 3.31Å; S210-F231 WeakPolarHBondContact CA-O 3.23Å; S210-F231 WeakPolarHBondContact OG-CD1 3.4Å; S210-F231 PolarHBondContact OG-O 3.17Å; I211-F231 PolarHBondContact N-O 3.12Å; F231-H261 CarbonylContact C-O 3.58Å; F231-H261 VanDerWaalsContact CA-O 3.29Å; F231-H261 WeakPolarHBondContact CA-O 3.15Å; F231-H261 HydrophobicContact CD2-CB 3.38Å; F231-H261 HydrophobicContact CE2-CB 3.77Å; F231-H261 HydrophobicContact CG-CB 4.4Å; F231-G263 VanDerWaalsContact CE1-N 3.34Å; F231-G263 VanDerWaalsContact CZ-CA 3.45Å; F231-T288 HydrophobicContact CE2-CG2 4.23Å; F231-T288 HydrophobicContact CZ-CG2 4.08Å; F231-V376 HydrophobicContact CD2-CB 4.38Å; F231-V376 HydrophobicContact CD2-CG1 3.59Å; F231-V376 HydrophobicContact CD2-CG2 3.82Å; F231-V376 HydrophobicContact CE2-CB 4.44Å; F231-V376 HydrophobicContact CE2-CG1 3.91Å; F231-V376 HydrophobicContact CE2-CG2 3.79Å; F231-V376 HydrophobicContact CG-CG1 4.37Å
232	V	98.1	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.8	168.2	176.8	0	0	0	0	108.4	I211 L235 M239 I249 F253 L260 H261 G263	I211-V232 HydrophobicContact CB-CG2 4.47Å; I211-V232 CarbonylContact O-C 3.38Å; I211-V232 VanDerWaalsContact O-CA 3.24Å; I211-V232 WeakPolarHBondContact O-CA 3.45Å; I211-V232 WeakPolarHBondContact O-CG1 3.07Å; V232-L235 HydrophobicContact CG1-CB 4.07Å; V232-L235 HydrophobicContact CG1-CD1 4.04Å; V232-M239 HydrophobicContact CG1-CE 4.4Å; V232-I249 HydrophobicContact CG1-CD1 3.73Å; V232-I249 HydrophobicContact CG2-CD1 3.95Å; V232-F253 HydrophobicContact CG2-CZ 4.08Å; V232-L260 HydrophobicContact CG2-CD1 3.99Å; V232-L260 HydrophobicContact CG2-CD2 3.71Å; V232-L260 HydrophobicContact CG2-CG 3.88Å; V232-H261 PolarHBondContact N-O 3.02Å; V232-G263 PolarHBondContact O-N 3.08Å
233	T	98.6	Very high	96.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-72.6	129.7	175.7	-52.7	0	0	0	0	108.6	E144 T187 S210 I211 L235	E144-T233 WeakPolarHBondContact OE1-CG2 3.19Å; T187-T233 HydrophobicContact CG2-CG2 4.39Å; T187-T233 WeakPolarHBondContact CG2-OG1 3.46Å; T187-T233 PolarHBondContact OG1-OG1 2.78Å; S210-T233 WeakPolarHBondContact CB-OG1 3.29Å; S210-T233 PolarHBondContact OG-N 2.71Å; S210-T233 PolarHBondContact OG-OG1 2.71Å; I211-T233 PolarHBondContact O-N 3.27Å; T233-L235 PolarHBondContact O-N 3.42Å
234	H	98.2	Very high	95.9	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.019	23%	0.228	C	C	.	.	S	Bend	trans	27.4	61.2	176.4	56.9	30.8	0	0	0	116	Q72 E144 H213 F236 N237 G263 I265 D292	Q72-H234 PolarHBondContact NE2-CD2 3.3Å; Q72-H234 VanDerWaalsContact NE2-CD2 3.32Å; E144-H234 IonicContact OE1-CD2 3.22Å; E144-H234 IonicContact OE1-CE1 3.12Å; E144-H234 IonicContact OE1-NE2 2.7Å; E144-H234 PolarHBondContact OE1-NE2 3.44Å; H213-H234 AromaticContact CD2-CE1 3.51Å; H213-H234 AromaticContact CD2-NE2 3.62Å; H213-H234 AromaticContact CE1-NE2 3.94Å; H213-H234 AromaticContact NE2-CE1 3.25Å; H213-H234 PolarHBondContact NE2-CE1 3.07Å; H213-H234 VanDerWaalsContact NE2-CE1 3.25Å; H213-H234 AromaticContact NE2-NE2 2.98Å; H213-H234 PolarHBondContact NE2-NE2 2.8Å; H234-F236 PolarHBondContact O-N 3.43Å; H234-N237 HydrophobicContact CB-CB 4.35Å; H234-N237 VanDerWaalsContact O-CB 3.32Å; H234-N237 WeakPolarHBondContact O-CB 3.15Å; H234-N237 PolarHBondContact O-N 2.91Å; H234-N237 PolarHBondContact O-ND2 3.26Å; H234-G263 CarbonylContact C-O 3.58Å; H234-G263 WeakPolarHBondContact CA-O 3.49Å; H234-G263 PolarHBondContact N-O 2.88Å; H234-I265 HydrophobicContact CB-CD1 3.71Å; H234-I265 HydrophobicContact CB-CG1 4.01Å; H234-D292 IonicContact CD2-OD2 3.34Å
235	L	97.7	Very high	95.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.8	140.5	-176.5	178.1	73.8	0	0	0	112.6	V232 T233 N237 M239 F250 F253 I262 G263 A279 I282	V232-L235 HydrophobicContact CG1-CB 4.07Å; V232-L235 HydrophobicContact CG1-CD1 4.04Å; T233-L235 PolarHBondContact O-N 3.42Å; L235-N237 VanDerWaalsContact C-N 3.29Å; L235-N237 PolarHBondContact O-ND2 2.94Å; L235-M239 HydrophobicContact CD1-SD 3.87Å; L235-F250 HydrophobicContact CD1-CE1 3.92Å; L235-F250 HydrophobicContact CD1-CZ 4.39Å; L235-F250 HydrophobicContact CG-CE1 4.46Å; L235-F253 HydrophobicContact CD1-CE2 4.03Å; L235-F253 HydrophobicContact CD1-CZ 4.26Å; L235-F253 HydrophobicContact CD2-CE2 4.41Å; L235-F253 HydrophobicContact CD2-CZ 4.4Å; L235-I262 HydrophobicContact CB-CG2 3.29Å; L235-I262 HydrophobicContact CD2-CD1 3.84Å; L235-I262 HydrophobicContact CD2-CG1 4.49Å; L235-I262 HydrophobicContact CD2-CG2 3.91Å; L235-I262 HydrophobicContact CG-CG2 4.18Å; L235-G263 PolarHBondContact N-O 3.49Å; L235-A279 HydrophobicContact CD2-CB 4.33Å; L235-I282 HydrophobicContact CD2-CD1 3.93Å
236	F	97.2	Very high	95.5	Very high	53 Å²	53	53.7 Å²	53.7	23%	0.232	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-22.4	-171.6	-46.6	-64.7	0	0	0	115.2	H234 M239 F250 L264 A275 L278 A279	H234-F236 PolarHBondContact O-N 3.43Å; F236-M239 PolarHBondContact N-SD 3.02Å; F236-F250 AromaticContact CD1-CE1 3.83Å; F236-F250 HydrophobicContact CD1-CE1 3.83Å; F236-F250 AromaticContact CD1-CZ 3.73Å; F236-F250 HydrophobicContact CD1-CZ 3.73Å; F236-F250 AromaticContact CE1-CE1 3.53Å; F236-F250 HydrophobicContact CE1-CE1 3.53Å; F236-F250 AromaticContact CE1-CZ 3.9Å; F236-F250 HydrophobicContact CE1-CZ 3.9Å; F236-L264 HydrophobicContact CD2-CD1 4.3Å; F236-L264 HydrophobicContact CE2-CD1 4.21Å; F236-A275 HydrophobicContact CD2-CB 4.06Å; F236-A275 HydrophobicContact CE2-CB 3.81Å; F236-A275 WeakPolarHBondContact CE2-O 3.24Å; F236-A275 HydrophobicContact CZ-CB 4.29Å; F236-L278 HydrophobicContact CE1-CD2 4.18Å; F236-L278 HydrophobicContact CZ-CB 4.46Å; F236-L278 HydrophobicContact CZ-CD2 4.21Å; F236-L278 HydrophobicContact CZ-CG 4.39Å; F236-A279 HydrophobicContact CE2-CB 3.99Å; F236-A279 HydrophobicContact CZ-CB 4.27Å
237	N	97.2	Very high	95.3	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.15	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	138.6	-178.8	-57.4	-87.8	0	0	0	110.6	H234 L235 M239	H234-N237 HydrophobicContact CB-CB 4.35Å; H234-N237 VanDerWaalsContact O-CB 3.32Å; H234-N237 WeakPolarHBondContact O-CB 3.15Å; H234-N237 PolarHBondContact O-N 2.91Å; H234-N237 PolarHBondContact O-ND2 3.26Å; L235-N237 VanDerWaalsContact C-N 3.29Å; L235-N237 PolarHBondContact O-ND2 2.94Å; N237-M239 VanDerWaalsContact C-N 3.32Å; N237-M239 WeakPolarHBondContact O-CE 3.41Å; N237-M239 PolarHBondContact O-N 2.97Å
238	A	96.5	Very high	95.2	Very high	29 Å²	29	49.6 Å²	49.6	24%	0.24	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	49.1	178	0	0	0	0	0	113.5	C152 H213 T214	C152-A238 VanDerWaalsContact CB-O 3.3Å; C152-A238 WeakPolarHBondContact CB-O 3.39Å; C152-A238 WeakPolarHBondContact O-CB 3.45Å; H213-A238 CarbonylContact C-O 3.49Å; H213-A238 VanDerWaalsContact CA-O 3.25Å; H213-A238 WeakPolarHBondContact CA-O 3.34Å; H213-A238 WeakPolarHBondContact ND1-CB 3.25Å; T214-A238 PolarHBondContact N-O 3.36Å; T214-A238 VanDerWaalsContact N-O 3.17Å
239	M	96.9	Very high	95.1	Very high	23 Å²	23	48.8 Å²	48.8	11%	0.113	24%	0.242	C	C	.	.	S	Bend	trans	-156.6	158.7	177.1	59.7	-172.3	76.1	0	0	111.2	T214 V232 L235 F236 N237 I249	T214-M239 WeakPolarHBondContact O-CA 3.17Å; V232-M239 HydrophobicContact CG1-CE 4.4Å; L235-M239 HydrophobicContact CD1-SD 3.87Å; F236-M239 PolarHBondContact N-SD 3.02Å; N237-M239 VanDerWaalsContact C-N 3.32Å; N237-M239 WeakPolarHBondContact O-CE 3.41Å; N237-M239 PolarHBondContact O-N 2.97Å; M239-I249 HydrophobicContact SD-CG2 3.99Å
240	P	95.2	Very high	94.9	Very high	25 Å²	25	50 Å²	50	16%	0.162	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-60.1	152.8	175.6	-26.2	34.1	0	0	0	113.1	T214 N215 F250	T214-P240 WeakPolarHBondContact O-CD 3.29Å; N215-P240 HydrophobicContact CB-CG 4.46Å; N215-P240 WeakPolarHBondContact OD1-CG 3.36Å; P240-F250 WeakPolarHBondContact O-CE2 3.39Å
241	S	94.1	Very high	94.7	Very high	102 Å²	102	48.3 Å²	48.3	71%	0.713	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-70.3	155.1	167.8	-63.7	0	0	0	0	111.7	H243 H248	S241-H243 PolarHBondContact O-N 2.98Å; S241-H248 PolarHBondContact O-CD2 2.91Å
242	F	92.6	Very high	94.4	Very high	131 Å²	131	48.5 Å²	48.5	58%	0.575	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-58.8	128.3	170.7	174.3	-99.4	0	0	0	111.1	A247 F250	F242-A247 HydrophobicContact CE2-CB 4.24Å; F242-F250 HydrophobicContact CB-CB 4.49Å; F242-F250 HydrophobicContact CB-CD2 3.73Å; F242-F250 HydrophobicContact CB-CE2 4.14Å; F242-F250 HydrophobicContact CB-CG 4.09Å; F242-F250 HydrophobicContact CD2-CB 3.76Å; F242-F250 HydrophobicContact CD2-CD2 4.42Å; F242-F250 HydrophobicContact CD2-CG 4.27Å
243	H	92.7	Very high	94	Very high	89 Å²	89	50.1 Å²	50.1	41%	0.412	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-129.3	130.7	172	-172.5	-89.7	0	0	0	110.7	S241 R245 K246 A247	S241-H243 PolarHBondContact O-N 2.98Å; H243-R245 PolarHBondContact ND1-N 3.41Å; H243-R245 PolarHBondContact O-N 2.56Å; H243-K246 PolarHBondContact N-O 3.04Å; H243-K246 CarbonylContact O-C 3.6Å; H243-K246 PolarHBondContact O-N 3.04Å; H243-A247 PolarHBondContact O-N 2.83Å
244	H	90.8	Very high	93.3	Very high	138 Å²	138	54.2 Å²	54.2	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.6	-174.9	66.9	-74.7	0	0	0	115.5
245	R	92.4	Very high	92.1	Very high	214 Å²	214	55.9 Å²	55.9	81%	0.808	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-13.2	174.1	-54.9	-174.2	-174.6	-178.2	-3.5	114.6	H243	H243-R245 PolarHBondContact ND1-N 3.41Å; H243-R245 PolarHBondContact O-N 2.56Å
246	K	89.4	Confident	90.1	Very high	93 Å²	93	62.7 Å²	62.7	40%	0.404	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-145.7	91	178.8	-169.6	174.6	180	-173.1	0	106.7	H243 H248	H243-K246 PolarHBondContact N-O 3.04Å; H243-K246 CarbonylContact O-C 3.6Å; H243-K246 PolarHBondContact O-N 3.04Å; K246-H248 WeakPolarHBondContact CD-CE1 3.32Å; K246-H248 WeakPolarHBondContact CE-CE1 3.5Å; K246-H248 PolarHBondContact O-CD2 2.9Å; K246-H248 PolarHBondContact O-N 2.88Å
247	A	91.1	Very high	88.8	Confident	30 Å²	30	68.9 Å²	68.9	25%	0.248	36%	0.362	C	S	.	.			trans	-68.4	-17.1	-172.5	0	0	0	0	0	112.7	F242 H243 F250 G251	F242-A247 HydrophobicContact CE2-CB 4.24Å; H243-A247 PolarHBondContact O-N 2.83Å; A247-F250 WeakPolarHBondContact O-CB 3.34Å; A247-F250 PolarHBondContact O-N 2.8Å; A247-F250 VanDerWaalsContact O-N 3.15Å; A247-G251 PolarHBondContact O-N 2.78Å
248	H	94	Very high	87.4	Confident	17 Å²	17	71 Å²	71	8%	0.079	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	52.4	-147.3	-176.2	-62.2	-78.3	0	0	0	110.8	C216 S241 K246 F250 G251	C216-H248 WeakPolarHBondContact O-CA 3.5Å; C216-H248 WeakPolarHBondContact O-CB 3.28Å; C216-H248 PolarHBondContact O-ND1 3.24Å; S241-H248 PolarHBondContact O-CD2 2.91Å; K246-H248 WeakPolarHBondContact CD-CE1 3.32Å; K246-H248 WeakPolarHBondContact CE-CE1 3.5Å; K246-H248 PolarHBondContact O-CD2 2.9Å; K246-H248 PolarHBondContact O-N 2.88Å; H248-F250 PolarHBondContact O-N 3.1Å; H248-F250 VanDerWaalsContact O-N 3.16Å; H248-G251 PolarHBondContact O-N 3Å
249	I	93.8	Very high	86.5	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.01	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-54.7	-29.2	174.1	-165.4	175.6	0	0	0	113.2	I211 T214 V232 M239 G251 L252	I211-I249 HydrophobicContact CB-CD1 4.2Å; I211-I249 HydrophobicContact CG2-CD1 3.47Å; I211-I249 VanDerWaalsContact CG2-CD1 3.47Å; I211-I249 HydrophobicContact CG2-CG1 4.22Å; T214-I249 HydrophobicContact CG2-CD1 4.49Å; V232-I249 HydrophobicContact CG1-CD1 3.73Å; V232-I249 HydrophobicContact CG2-CD1 3.95Å; M239-I249 HydrophobicContact SD-CG2 3.99Å; I249-G251 PolarHBondContact O-N 3.43Å; I249-L252 HydrophobicContact CG1-CD1 4.21Å; I249-L252 VanDerWaalsContact O-CB 3.3Å; I249-L252 WeakPolarHBondContact O-CB 3.26Å; I249-L252 WeakPolarHBondContact O-CG 3.39Å; I249-L252 PolarHBondContact O-N 3.42Å
250	F	93.1	Very high	86.3	Confident	27 Å²	27	72.7 Å²	72.7	12%	0.118	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-66.6	-22.1	-177.6	-63.8	-77.6	0	0	0	113.5	L235 F236 P240 F242 A247 H248 L252 F253 I282	L235-F250 HydrophobicContact CD1-CE1 3.92Å; L235-F250 HydrophobicContact CD1-CZ 4.39Å; L235-F250 HydrophobicContact CG-CE1 4.46Å; F236-F250 AromaticContact CD1-CE1 3.83Å; F236-F250 HydrophobicContact CD1-CE1 3.83Å; F236-F250 AromaticContact CD1-CZ 3.73Å; F236-F250 HydrophobicContact CD1-CZ 3.73Å; F236-F250 AromaticContact CE1-CE1 3.53Å; F236-F250 HydrophobicContact CE1-CE1 3.53Å; F236-F250 AromaticContact CE1-CZ 3.9Å; F236-F250 HydrophobicContact CE1-CZ 3.9Å; P240-F250 WeakPolarHBondContact O-CE2 3.39Å; F242-F250 HydrophobicContact CB-CB 4.49Å; F242-F250 HydrophobicContact CB-CD2 3.73Å; F242-F250 HydrophobicContact CB-CE2 4.14Å; F242-F250 HydrophobicContact CB-CG 4.09Å; F242-F250 HydrophobicContact CD2-CB 3.76Å; F242-F250 HydrophobicContact CD2-CD2 4.42Å; F242-F250 HydrophobicContact CD2-CG 4.27Å; A247-F250 WeakPolarHBondContact O-CB 3.34Å; A247-F250 PolarHBondContact O-N 2.8Å; A247-F250 VanDerWaalsContact O-N 3.15Å; H248-F250 PolarHBondContact O-N 3.1Å; H248-F250 VanDerWaalsContact O-N 3.16Å; F250-L252 PolarHBondContact O-N 3.36Å; F250-F253 HydrophobicContact CD1-CD2 4.45Å; F250-F253 HydrophobicContact CD1-CE2 4.5Å; F250-F253 PolarHBondContact O-N 3.44Å; F250-I282 HydrophobicContact CD1-CD1 4.43Å
251	G	91	Very high	86.3	Confident	9 Å²	9	72.8 Å²	72.8	9%	0.093	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.6	173.8	0	0	0	0	0	112.7	Y218 A247 H248 I249 F253 A254	Y218-G251 WeakPolarHBondContact CE2-O 3.45Å; A247-G251 PolarHBondContact O-N 2.78Å; H248-G251 PolarHBondContact O-N 3Å; I249-G251 PolarHBondContact O-N 3.43Å; G251-F253 VanDerWaalsContact C-N 3.27Å; G251-F253 PolarHBondContact O-N 3.05Å; G251-A254 WeakPolarHBondContact O-CB 3.43Å; G251-A254 PolarHBondContact O-N 2.94Å; G251-A254 VanDerWaalsContact O-N 3.16Å
252	L	90.9	Very high	86.5	Confident	5 Å²	5	68 Å²	68	3%	0.026	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-61.3	-35.4	177.2	-62.5	-170.4	0	0	0	112.8	I211 Y218 A221 E222 L225 I249 F250 A254 S255 L260	I211-L252 HydrophobicContact CD1-CD1 3.8Å; Y218-L252 HydrophobicContact CD2-CD2 4.46Å; Y218-L252 HydrophobicContact CE2-CD2 4.31Å; A221-L252 HydrophobicContact CB-CD1 3.8Å; A221-L252 HydrophobicContact CB-CD2 3.82Å; A221-L252 HydrophobicContact CB-CG 3.86Å; E222-L252 HydrophobicContact CB-CD2 4.19Å; L225-L252 HydrophobicContact CD2-CD2 4.15Å; I249-L252 HydrophobicContact CG1-CD1 4.21Å; I249-L252 VanDerWaalsContact O-CB 3.3Å; I249-L252 WeakPolarHBondContact O-CB 3.26Å; I249-L252 WeakPolarHBondContact O-CG 3.39Å; I249-L252 PolarHBondContact O-N 3.42Å; F250-L252 PolarHBondContact O-N 3.36Å; L252-A254 PolarHBondContact O-N 3.12Å; L252-S255 PolarHBondContact O-N 3.47Å; L252-L260 HydrophobicContact CB-CD2 3.91Å; L252-L260 HydrophobicContact CD1-CD2 3.82Å
253	F	90.5	Very high	86.8	Confident	33 Å²	33	61.7 Å²	61.7	15%	0.145	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-76.5	-9.3	-178.9	-55.4	-71.3	0	0	0	113.4	V232 L235 F250 G251 L260 I262 I282	V232-F253 HydrophobicContact CG2-CZ 4.08Å; L235-F253 HydrophobicContact CD1-CE2 4.03Å; L235-F253 HydrophobicContact CD1-CZ 4.26Å; L235-F253 HydrophobicContact CD2-CE2 4.41Å; L235-F253 HydrophobicContact CD2-CZ 4.4Å; F250-F253 HydrophobicContact CD1-CD2 4.45Å; F250-F253 HydrophobicContact CD1-CE2 4.5Å; F250-F253 PolarHBondContact O-N 3.44Å; G251-F253 VanDerWaalsContact C-N 3.27Å; G251-F253 PolarHBondContact O-N 3.05Å; F253-L260 HydrophobicContact CD1-CB 4.46Å; F253-L260 HydrophobicContact CD1-CD2 4.24Å; F253-L260 HydrophobicContact CE1-CB 4.07Å; F253-L260 HydrophobicContact CE1-CD2 3.58Å; F253-L260 HydrophobicContact CE1-CG 3.83Å; F253-L260 HydrophobicContact CZ-CD2 3.84Å; F253-L260 HydrophobicContact CZ-CG 4.37Å; F253-I262 HydrophobicContact CD1-CD1 4.2Å; F253-I262 HydrophobicContact CE1-CD1 3.41Å; F253-I262 VanDerWaalsContact CE1-CD1 3.41Å; F253-I262 HydrophobicContact CE1-CG1 3.58Å; F253-I262 HydrophobicContact CZ-CD1 3.66Å; F253-I262 HydrophobicContact CZ-CG1 3.76Å; F253-I282 HydrophobicContact CB-CB 3.97Å; F253-I282 HydrophobicContact CB-CD1 4.41Å; F253-I282 HydrophobicContact CB-CG1 4.33Å; F253-I282 HydrophobicContact CD1-CD1 4.48Å; F253-I282 HydrophobicContact CD1-CG1 4.33Å; F253-I282 HydrophobicContact CD2-CD1 3.69Å; F253-I282 HydrophobicContact CD2-CG1 4.34Å; F253-I282 HydrophobicContact CE2-CD1 4.04Å; F253-I282 HydrophobicContact CG-CB 4.28Å; F253-I282 HydrophobicContact CG-CD1 3.94Å; F253-I282 HydrophobicContact CG-CG1 4.07Å
254	A	83.8	Confident	87.1	Confident	87 Å²	87	57.5 Å²	57.5	72%	0.719	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-85.3	-16.3	171.5	0	0	0	0	0	112.7	G251 L252	G251-A254 WeakPolarHBondContact O-CB 3.43Å; G251-A254 PolarHBondContact O-N 2.94Å; G251-A254 VanDerWaalsContact O-N 3.16Å; L252-A254 PolarHBondContact O-N 3.12Å
255	S	72.6	Confident	87.5	Confident	38 Å²	38	50.9 Å²	50.9	27%	0.266	27%	0.273	S	S	.	.			trans	-89.8	125.6	-177.7	-174.5	0	0	0	0	111.1	L252 K257	L252-S255 PolarHBondContact O-N 3.47Å; S255-K257 VanDerWaalsContact C-N 3.35Å; S255-K257 PolarHBondContact O-N 3.31Å
256	T	57.1	Low	87.8	Confident	144 Å²	144	40.7 Å²	40.7	88%	0.883	23%	0.234	S	C	*	.			trans	-84.7	3.4	-169.6	59.7	0	0	0	0	115.2
257	K	69.1	Low	88.2	Confident	183 Å²	183	37 Å²	37	80%	0.796	22%	0.218	S	C	*	.	S	Bend	trans	-82.6	-34.4	-164.2	-70.3	-175.9	-178.6	173.2	0	114.7	S255	S255-K257 VanDerWaalsContact C-N 3.35Å; S255-K257 PolarHBondContact O-N 3.31Å
258	T	67.5	Low	88.5	Confident	73 Å²	73	38.4 Å²	38.4	45%	0.448	22%	0.222	S	C	.	.	S	Bend	trans	-141.3	125.9	-175.3	-51.4	0	0	0	0	109.5	L260	T258-L260 PolarHBondContact O-N 2.79Å
259	P	77.7	Confident	88.6	Confident	80 Å²	80	39.9 Å²	39.9	52%	0.519	23%	0.232	S	C	.	.			trans	-63.3	126.6	173.9	-14.5	26.8	0	0	0	110.8	H286	P259-H286 VanDerWaalsContact CB-CD2 3.44Å; P259-H286 WeakPolarHBondContact CB-CD2 3.28Å; P259-H286 WeakPolarHBondContact CB-NE2 3.25Å
260	L	92.5	Very high	88.8	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	24%	0.237	C	C	.	.			trans	-104.2	113.2	-179.6	179.5	54.5	0	0	0	109.3	L225 V232 L252 F253 T258 S283	L225-L260 HydrophobicContact CD1-CD1 4.04Å; V232-L260 HydrophobicContact CG2-CD1 3.99Å; V232-L260 HydrophobicContact CG2-CD2 3.71Å; V232-L260 HydrophobicContact CG2-CG 3.88Å; L252-L260 HydrophobicContact CB-CD2 3.91Å; L252-L260 HydrophobicContact CD1-CD2 3.82Å; F253-L260 HydrophobicContact CD1-CB 4.46Å; F253-L260 HydrophobicContact CD1-CD2 4.24Å; F253-L260 HydrophobicContact CE1-CB 4.07Å; F253-L260 HydrophobicContact CE1-CD2 3.58Å; F253-L260 HydrophobicContact CE1-CG 3.83Å; F253-L260 HydrophobicContact CZ-CD2 3.84Å; F253-L260 HydrophobicContact CZ-CG 4.37Å; T258-L260 PolarHBondContact O-N 2.79Å; L260-S283 PolarHBondContact O-OG 3.17Å
261	H	96.6	Very high	89	Confident	28 Å²	28	40 Å²	40	13%	0.13	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	147.8	174.5	-74.9	-91.7	0	0	0	111.2	T230 F231 V232 H286 V376	T230-H261 PolarHBondContact O-N 3.47Å; T230-H261 VanDerWaalsContact O-N 3.15Å; F231-H261 CarbonylContact C-O 3.58Å; F231-H261 VanDerWaalsContact CA-O 3.29Å; F231-H261 WeakPolarHBondContact CA-O 3.15Å; F231-H261 HydrophobicContact CD2-CB 3.38Å; F231-H261 HydrophobicContact CE2-CB 3.77Å; F231-H261 HydrophobicContact CG-CB 4.4Å; V232-H261 PolarHBondContact N-O 3.02Å; H261-H286 VanDerWaalsContact CA-O 3.28Å; H261-H286 WeakPolarHBondContact CA-O 3.48Å; H261-H286 AromaticContact CE1-CD2 3.66Å; H261-H286 PolarHBondContact ND1-O 3.47Å; H261-H286 AromaticContact NE2-CD2 3.66Å; H261-V376 HydrophobicContact CB-CG2 3.77Å; H261-V376 VanDerWaalsContact CG-CG2 3.47Å; H261-V376 WeakPolarHBondContact ND1-CG2 3.36Å
262	I	97.7	Very high	89.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.8	-177	-60	167.5	0	0	0	109.4	L235 F253 I282 H286 T288	L235-I262 HydrophobicContact CB-CG2 3.29Å; L235-I262 HydrophobicContact CD2-CD1 3.84Å; L235-I262 HydrophobicContact CD2-CG1 4.49Å; L235-I262 HydrophobicContact CD2-CG2 3.91Å; L235-I262 HydrophobicContact CG-CG2 4.18Å; F253-I262 HydrophobicContact CD1-CD1 4.2Å; F253-I262 HydrophobicContact CE1-CD1 3.41Å; F253-I262 VanDerWaalsContact CE1-CD1 3.41Å; F253-I262 HydrophobicContact CE1-CG1 3.58Å; F253-I262 HydrophobicContact CZ-CD1 3.66Å; F253-I262 HydrophobicContact CZ-CG1 3.76Å; I262-I282 HydrophobicContact CD1-CG1 4.41Å; I262-H286 PolarHBondContact N-O 3.32Å; I262-T288 WeakPolarHBondContact O-CA 3.38Å; I262-T288 PolarHBondContact O-N 3.34Å; I262-T288 VanDerWaalsContact O-O 3.07Å
263	G	98.7	Very high	89.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127	160.1	0	0	0	0	0	109.7	F231 V232 H234 L235 T288	F231-G263 VanDerWaalsContact CE1-N 3.34Å; F231-G263 VanDerWaalsContact CZ-CA 3.45Å; V232-G263 PolarHBondContact O-N 3.08Å; H234-G263 CarbonylContact C-O 3.58Å; H234-G263 WeakPolarHBondContact CA-O 3.49Å; H234-G263 PolarHBondContact N-O 2.88Å; L235-G263 PolarHBondContact N-O 3.49Å; G263-T288 CarbonylContact C-O 3.58Å; G263-T288 VanDerWaalsContact CA-O 3.3Å; G263-T288 WeakPolarHBondContact CA-O 3.31Å
264	L	98.8	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.5	-179.4	-175	68.1	0	0	0	111	F236 A266 L276 A279 V287 T288 L289 V290 F340	F236-L264 HydrophobicContact CD2-CD1 4.3Å; F236-L264 HydrophobicContact CE2-CD1 4.21Å; L264-A266 PolarHBondContact O-N 3.3Å; L264-L276 HydrophobicContact CD1-CD2 4.03Å; L264-L276 HydrophobicContact CD2-CD2 3.7Å; L264-L276 HydrophobicContact CG-CD2 3.88Å; L264-A279 HydrophobicContact CD1-CB 4.01Å; L264-A279 HydrophobicContact CD2-CB 3.85Å; L264-V287 HydrophobicContact CB-CG1 3.9Å; L264-V287 HydrophobicContact CD2-CG1 3.7Å; L264-V287 HydrophobicContact CG-CG1 4.49Å; L264-T288 PolarHBondContact N-O 3.03Å; L264-L289 HydrophobicContact CB-CD2 4.32Å; L264-L289 HydrophobicContact CD2-CD2 4.38Å; L264-L289 WeakPolarHBondContact O-CA 3.38Å; L264-V290 PolarHBondContact O-N 2.64Å; L264-V290 VanDerWaalsContact O-N 3.16Å; L264-F340 HydrophobicContact CD2-CD2 4.31Å; L264-F340 HydrophobicContact CD2-CE2 4.21Å
265	I	98.7	Very high	90.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	96.3	174.4	-53	165.8	0	0	0	108.4	H234 D267 H270 S271 V290 D292	H234-I265 HydrophobicContact CB-CD1 3.71Å; H234-I265 HydrophobicContact CB-CG1 4.01Å; I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 HydrophobicContact CG2-CB 4.25Å; I265-D267 PolarHBondContact O-N 2.83Å; I265-H270 HydrophobicContact CB-CB 3.96Å; I265-H270 HydrophobicContact CD1-CB 4.27Å; I265-H270 HydrophobicContact CG2-CB 3.86Å; I265-S271 PolarHBondContact O-OG 3.26Å; I265-V290 HydrophobicContact CG1-CG2 3.91Å; I265-D292 HydrophobicContact CD1-CB 3.46Å; I265-D292 VanDerWaalsContact CD1-CB 3.46Å; I265-D292 WeakPolarHBondContact CD1-OD2 3.07Å; I265-D292 HydrophobicContact CG1-CB 3.83Å
266	A	98.6	Very high	91.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.			trans	-91.3	43.4	-176.9	0	0	0	0	0	113.4	L264 L276 L289 C336 N339 F340	L264-A266 PolarHBondContact O-N 3.3Å; A266-L276 HydrophobicContact CB-CD1 3.98Å; A266-L276 HydrophobicContact CB-CD2 3.91Å; A266-L289 HydrophobicContact CB-CD2 3.66Å; A266-C336 HydrophobicContact CB-CB 4.07Å; A266-C336 WeakPolarHBondContact O-CA 3.31Å; A266-N339 WeakPolarHBondContact O-CB 3.33Å; A266-N339 PolarHBondContact O-ND2 3.21Å; A266-F340 HydrophobicContact CB-CB 4.21Å
267	D	98.1	Very high	93.8	Very high	14 Å²	14	40.7 Å²	40.7	8%	0.075	21%	0.214	C	C	.	.	S	Bend	trans	-91.3	-4.4	-178.1	69	-4.4	0	0	0	114.6	I265 V269 H270 T331	I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 HydrophobicContact CG2-CB 4.25Å; I265-D267 PolarHBondContact O-N 2.83Å; D267-V269 PolarHBondContact O-N 3.47Å; D267-V269 WeakPolarHBondContact OD1-CA 3.46Å; D267-V269 PolarHBondContact OD1-N 2.61Å; D267-H270 IonicContact OD1-CG 3.33Å; D267-H270 PolarHBondContact OD1-N 3Å; D267-H270 IonicContact OD1-ND1 2.74Å; D267-H270 PolarHBondContact OD1-ND1 2.86Å; D267-H270 IonicContact OD2-CE1 3.73Å; D267-H270 IonicContact OD2-CG 2.8Å; D267-H270 IonicContact OD2-ND1 2.59Å; D267-H270 PolarHBondContact OD2-ND1 3.38Å; D267-T331 HydrophobicContact CB-CG2 3.88Å
268	L	97.6	Very high	95.1	Very high	61 Å²	61	36.1 Å²	36.1	32%	0.319	20%	0.197	S	C	.	.	S	Bend	trans	65.4	13.3	-174.2	-49	-178.5	0	0	0	114.8	S271 P273 L276 N339 E343	L268-S271 WeakPolarHBondContact CA-O 3.18Å; L268-P273 HydrophobicContact CD2-CG 3.92Å; L268-L276 HydrophobicContact CD2-CD1 3.66Å; L268-N339 HydrophobicContact CD1-CB 4.33Å; L268-N339 HydrophobicContact CD2-CB 4.33Å; L268-N339 HydrophobicContact CG-CB 4.12Å; L268-E343 HydrophobicContact CD2-CG 4.35Å
269	V	97	Very high	96.5	Very high	47 Å²	47	32.6 Å²	32.6	29%	0.285	18%	0.176	S	C	.	.	S	Bend	trans	-108.4	-53.4	173.1	-178.8	0	0	0	0	109.6	D267 K317 L326	D267-V269 PolarHBondContact O-N 3.47Å; D267-V269 WeakPolarHBondContact OD1-CA 3.46Å; D267-V269 PolarHBondContact OD1-N 2.61Å; V269-K317 HydrophobicContact CG1-CB 4.31Å; V269-K317 HydrophobicContact CG1-CD 3.9Å; V269-K317 HydrophobicContact CG1-CG 3.84Å; V269-K317 HydrophobicContact CG2-CD 4.34Å; V269-K317 HydrophobicContact CG2-CG 4.04Å; V269-L326 HydrophobicContact CG1-CD1 4.12Å; V269-L326 HydrophobicContact CG1-CD2 3.85Å
270	H	97.4	Very high	97.4	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.13	15%	0.151	C	C	.	.	S	Bend	trans	-73.2	-37.2	177.2	-70	79.8	0	0	0	111.5	I265 D267 L326 G328	I265-H270 HydrophobicContact CB-CB 3.96Å; I265-H270 HydrophobicContact CD1-CB 4.27Å; I265-H270 HydrophobicContact CG2-CB 3.86Å; D267-H270 IonicContact OD1-CG 3.33Å; D267-H270 PolarHBondContact OD1-N 3Å; D267-H270 IonicContact OD1-ND1 2.74Å; D267-H270 PolarHBondContact OD1-ND1 2.86Å; D267-H270 IonicContact OD2-CE1 3.73Å; D267-H270 IonicContact OD2-CG 2.8Å; D267-H270 IonicContact OD2-ND1 2.59Å; D267-H270 PolarHBondContact OD2-ND1 3.38Å; H270-L326 HydrophobicContact CB-CD1 4.47Å; H270-G328 PolarHBondContact CE1-O 3.36Å; H270-G328 VanDerWaalsContact CE1-O 3.3Å
271	S	97.1	Very high	97.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	-127.4	123.9	-176	-68.3	0	0	0	0	111.7	I265 L268	I265-S271 PolarHBondContact O-OG 3.26Å; L268-S271 WeakPolarHBondContact CA-O 3.18Å
272	H	97.9	Very high	97.4	Very high	129 Å²	129	32.8 Å²	32.8	60%	0.597	18%	0.182	S	C	*	.			trans	-61.2	148.1	169.9	-176.3	-94.5	0	0	0	110.7	A274 A275 L276	H272-A274 VanDerWaalsContact ND1-CB 3.33Å; H272-A274 WeakPolarHBondContact ND1-CB 3.3Å; H272-A274 PolarHBondContact ND1-N 2.92Å; H272-A274 VanDerWaalsContact ND1-N 3.11Å; H272-A274 PolarHBondContact O-N 3.14Å; H272-A275 WeakPolarHBondContact O-CA 3.21Å; H272-A275 VanDerWaalsContact O-CB 3.27Å; H272-A275 WeakPolarHBondContact O-CB 3.46Å; H272-A275 PolarHBondContact O-N 3.42Å; H272-L276 PolarHBondContact O-N 2.57Å
273	P	97.7	Very high	97.2	Very high	27 Å²	27	33.1 Å²	33.1	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-49.3	-37.3	177.2	-30.4	32.2	0	0	0	115.3	L268 A275 L276 R277 E343	L268-P273 HydrophobicContact CD2-CG 3.92Å; P273-A275 VanDerWaalsContact C-N 3.31Å; P273-A275 PolarHBondContact O-N 2.88Å; P273-L276 WeakPolarHBondContact O-CB 3.44Å; P273-L276 PolarHBondContact O-N 3.39Å; P273-R277 PolarHBondContact O-N 3.31Å; P273-R277 VanDerWaalsContact O-N 3.17Å; P273-E343 HydrophobicContact CB-CB 4.17Å; P273-E343 HydrophobicContact CB-CG 3.99Å; P273-E343 WeakPolarHBondContact CB-OE2 3.45Å; P273-E343 HydrophobicContact CG-CG 4.34Å
274	A	98	Very high	96.9	Very high	43 Å²	43	36.4 Å²	36.4	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-65.6	-32.5	176	0	0	0	0	0	113	H272 R277 L278	H272-A274 VanDerWaalsContact ND1-CB 3.33Å; H272-A274 WeakPolarHBondContact ND1-CB 3.3Å; H272-A274 PolarHBondContact ND1-N 2.92Å; H272-A274 VanDerWaalsContact ND1-N 3.11Å; H272-A274 PolarHBondContact O-N 3.14Å; A274-R277 PolarHBondContact O-N 3.2Å; A274-L278 WeakPolarHBondContact O-CB 3.35Å; A274-L278 PolarHBondContact O-N 2.65Å
275	A	98	Very high	96.7	Very high	23 Å²	23	37.2 Å²	37.2	19%	0.19	22%	0.215	C	C	.	.	H	α-helix	trans	-69.6	-36.8	174.6	0	0	0	0	0	111.1	F236 H272 P273 R277 L278 A279	F236-A275 HydrophobicContact CD2-CB 4.06Å; F236-A275 HydrophobicContact CE2-CB 3.81Å; F236-A275 WeakPolarHBondContact CE2-O 3.24Å; F236-A275 HydrophobicContact CZ-CB 4.29Å; H272-A275 WeakPolarHBondContact O-CA 3.21Å; H272-A275 VanDerWaalsContact O-CB 3.27Å; H272-A275 WeakPolarHBondContact O-CB 3.46Å; H272-A275 PolarHBondContact O-N 3.42Å; P273-A275 VanDerWaalsContact C-N 3.31Å; P273-A275 PolarHBondContact O-N 2.88Å; A275-R277 PolarHBondContact O-N 2.83Å; A275-L278 PolarHBondContact O-N 3.49Å; A275-A279 PolarHBondContact O-N 3.37Å
276	L	98.5	Very high	96.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-45.2	173.5	-54.5	-173.7	0	0	0	111.7	L264 A266 L268 H272 P273 L278 A279 D280 E343 V344	L264-L276 HydrophobicContact CD1-CD2 4.03Å; L264-L276 HydrophobicContact CD2-CD2 3.7Å; L264-L276 HydrophobicContact CG-CD2 3.88Å; A266-L276 HydrophobicContact CB-CD1 3.98Å; A266-L276 HydrophobicContact CB-CD2 3.91Å; L268-L276 HydrophobicContact CD2-CD1 3.66Å; H272-L276 PolarHBondContact O-N 2.57Å; P273-L276 WeakPolarHBondContact O-CB 3.44Å; P273-L276 PolarHBondContact O-N 3.39Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-A279 PolarHBondContact O-N 3.13Å; L276-D280 PolarHBondContact O-N 3.06Å; L276-E343 HydrophobicContact CD1-CB 4.45Å; L276-V344 HydrophobicContact CB-CG2 3.56Å
277	R	97.8	Very high	96.6	Very high	110 Å²	110	39.6 Å²	39.6	42%	0.415	23%	0.226	S	C	.	.	H	α-helix	trans	-63.2	-40.1	174.8	-72.1	-171	-68.6	-82.9	3.9	112.2	P273 A274 A275 A281 E343 V344	P273-R277 PolarHBondContact O-N 3.31Å; P273-R277 VanDerWaalsContact O-N 3.17Å; A274-R277 PolarHBondContact O-N 3.2Å; A275-R277 PolarHBondContact O-N 2.83Å; R277-A281 VanDerWaalsContact O-CB 3.26Å; R277-A281 WeakPolarHBondContact O-CB 3.35Å; R277-A281 PolarHBondContact O-N 3.25Å; R277-E343 VanDerWaalsContact CD-O 3.24Å; R277-E343 WeakPolarHBondContact CD-O 3.41Å; R277-E343 WeakPolarHBondContact CG-O 3.04Å; R277-E343 PolarHBondContact NH1-O 2.86Å; R277-E343 IonicContact NH1-OE2 3.41Å; R277-V344 HydrophobicContact CG-CB 4.43Å; R277-V344 HydrophobicContact CG-CG1 4.5Å; R277-V344 HydrophobicContact CG-CG2 4Å
278	L	96.4	Very high	96.6	Very high	86 Å²	86	39 Å²	39	45%	0.45	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-46.3	177.2	-178.9	61.8	0	0	0	111.2	F236 A274 A275 L276 D280 A281 I282	F236-L278 HydrophobicContact CE1-CD2 4.18Å; F236-L278 HydrophobicContact CZ-CB 4.46Å; F236-L278 HydrophobicContact CZ-CD2 4.21Å; F236-L278 HydrophobicContact CZ-CG 4.39Å; A274-L278 WeakPolarHBondContact O-CB 3.35Å; A274-L278 PolarHBondContact O-N 2.65Å; A275-L278 PolarHBondContact O-N 3.49Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L278-D280 PolarHBondContact O-N 3.22Å; L278-A281 PolarHBondContact O-N 2.89Å; L278-A281 VanDerWaalsContact O-N 3.1Å; L278-I282 HydrophobicContact CD1-CG2 3.86Å; L278-I282 HydrophobicContact CG-CG2 4.39Å; L278-I282 WeakPolarHBondContact O-CG1 3.42Å; L278-I282 WeakPolarHBondContact O-CG2 3.28Å; L278-I282 PolarHBondContact O-N 2.85Å
279	A	96.8	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.9	-46.1	178.2	0	0	0	0	0	112.3	L235 F236 L264 A275 L276 A281 I282 S283	L235-A279 HydrophobicContact CD2-CB 4.33Å; F236-A279 HydrophobicContact CE2-CB 3.99Å; F236-A279 HydrophobicContact CZ-CB 4.27Å; L264-A279 HydrophobicContact CD1-CB 4.01Å; L264-A279 HydrophobicContact CD2-CB 3.85Å; A275-A279 PolarHBondContact O-N 3.37Å; L276-A279 PolarHBondContact O-N 3.13Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-I282 WeakPolarHBondContact O-CG1 3.09Å; A279-I282 PolarHBondContact O-N 3.2Å; A279-S283 PolarHBondContact O-N 3.22Å
280	D	96	Very high	96.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-72.4	-26.3	176.7	-177.3	71.8	0	0	0	113.2	L276 L278 P284 V287 F340 V344 K348 Y364	L276-D280 PolarHBondContact O-N 3.06Å; L278-D280 PolarHBondContact O-N 3.22Å; D280-P284 WeakPolarHBondContact O-CA 3.5Å; D280-P284 WeakPolarHBondContact O-CB 3.03Å; D280-P284 VanDerWaalsContact O-N 3.15Å; D280-V287 HydrophobicContact CB-CG2 4.21Å; D280-F340 HydrophobicContact CB-CE2 4.11Å; D280-F340 HydrophobicContact CB-CZ 3.98Å; D280-V344 HydrophobicContact CB-CG1 3.57Å; D280-K348 WeakPolarHBondContact OD2-CD 3.37Å; D280-K348 IonicContact OD2-NZ 2.73Å; D280-K348 PolarHBondContact OD2-NZ 3.49Å; D280-Y364 VanDerWaalsContact OD1-CE1 3.32Å; D280-Y364 WeakPolarHBondContact OD1-CE1 3.41Å; D280-Y364 PolarHBondContact OD1-OH 2.82Å
281	A	94.5	Very high	96.8	Very high	67 Å²	67	32.6 Å²	32.6	55%	0.554	19%	0.188	S	C	*	.	H	α-helix	trans	-72.7	-36.4	174.4	0	0	0	0	0	112.4	R277 L278 A279	R277-A281 VanDerWaalsContact O-CB 3.26Å; R277-A281 WeakPolarHBondContact O-CB 3.35Å; R277-A281 PolarHBondContact O-N 3.25Å; L278-A281 PolarHBondContact O-N 2.89Å; L278-A281 VanDerWaalsContact O-N 3.1Å; A279-A281 VanDerWaalsContact C-N 3.34Å
282	I	93.4	Very high	96.9	Very high	49 Å²	49	33.2 Å²	33.2	25%	0.251	19%	0.191	S	C	.	.	H	α-helix	trans	-86.4	-22.9	-179.6	69.8	-177.8	0	0	0	113.1	L235 F250 F253 I262 L278 A279	L235-I282 HydrophobicContact CD2-CD1 3.93Å; F250-I282 HydrophobicContact CD1-CD1 4.43Å; F253-I282 HydrophobicContact CB-CB 3.97Å; F253-I282 HydrophobicContact CB-CD1 4.41Å; F253-I282 HydrophobicContact CB-CG1 4.33Å; F253-I282 HydrophobicContact CD1-CD1 4.48Å; F253-I282 HydrophobicContact CD1-CG1 4.33Å; F253-I282 HydrophobicContact CD2-CD1 3.69Å; F253-I282 HydrophobicContact CD2-CG1 4.34Å; F253-I282 HydrophobicContact CE2-CD1 4.04Å; F253-I282 HydrophobicContact CG-CB 4.28Å; F253-I282 HydrophobicContact CG-CD1 3.94Å; F253-I282 HydrophobicContact CG-CG1 4.07Å; I262-I282 HydrophobicContact CD1-CG1 4.41Å; L278-I282 HydrophobicContact CD1-CG2 3.86Å; L278-I282 HydrophobicContact CG-CG2 4.39Å; L278-I282 WeakPolarHBondContact O-CG1 3.42Å; L278-I282 WeakPolarHBondContact O-CG2 3.28Å; L278-I282 PolarHBondContact O-N 2.85Å; A279-I282 WeakPolarHBondContact O-CG1 3.09Å; A279-I282 PolarHBondContact O-N 3.2Å
283	S	94.2	Very high	96.9	Very high	7 Å²	7	27.1 Å²	27.1	5%	0.049	16%	0.163	C	C	.	.	S	Bend	trans	-138.2	64.6	174.8	-152.9	0	0	0	0	112.3	L260 A279 G285 H286	L260-S283 PolarHBondContact O-OG 3.17Å; A279-S283 PolarHBondContact O-N 3.22Å; S283-G285 PolarHBondContact O-N 3.13Å; S283-H286 PolarHBondContact O-N 2.83Å; S283-H286 VanDerWaalsContact O-N 3.14Å; S283-H286 WeakPolarHBondContact OG-CB 3.3Å
284	P	93.1	Very high	96.9	Very high	69 Å²	69	25.8 Å²	25.8	45%	0.448	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	135.9	-178.9	26.7	-35	0	0	0	110.6	D280 H286	D280-P284 WeakPolarHBondContact O-CA 3.5Å; D280-P284 WeakPolarHBondContact O-CB 3.03Å; D280-P284 VanDerWaalsContact O-N 3.15Å; P284-H286 PolarHBondContact O-CE1 3.45Å; P284-H286 PolarHBondContact O-N 3.25Å; P284-H286 PolarHBondContact O-ND1 3.26Å
285	G	94.2	Very high	96.9	Very high	18 Å²	18	24.1 Å²	24.1	19%	0.186	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-2.4	-177.9	0	0	0	0	0	114.9	S283 Y364 R372	S283-G285 PolarHBondContact O-N 3.13Å; G285-Y364 PolarHBondContact N-OH 2.98Å; G285-R372 VanDerWaalsContact O-CD 3.26Å; G285-R372 WeakPolarHBondContact O-CD 3.24Å; G285-R372 PolarHBondContact O-NE 2.88Å; G285-R372 VanDerWaalsContact O-NE 3.1Å
286	H	96.4	Very high	96.9	Very high	50 Å²	50	23.1 Å²	23.1	23%	0.231	13%	0.131	C	C	.	.			trans	-124	9.3	-172.2	-59.8	87.5	0	0	0	113.6	P259 H261 I262 S283 P284 T288	P259-H286 VanDerWaalsContact CB-CD2 3.44Å; P259-H286 WeakPolarHBondContact CB-CD2 3.28Å; P259-H286 WeakPolarHBondContact CB-NE2 3.25Å; H261-H286 VanDerWaalsContact CA-O 3.28Å; H261-H286 WeakPolarHBondContact CA-O 3.48Å; H261-H286 AromaticContact CE1-CD2 3.66Å; H261-H286 PolarHBondContact ND1-O 3.47Å; H261-H286 AromaticContact NE2-CD2 3.66Å; I262-H286 PolarHBondContact N-O 3.32Å; S283-H286 PolarHBondContact O-N 2.83Å; S283-H286 VanDerWaalsContact O-N 3.14Å; S283-H286 WeakPolarHBondContact OG-CB 3.3Å; P284-H286 PolarHBondContact O-CE1 3.45Å; P284-H286 PolarHBondContact O-N 3.25Å; P284-H286 PolarHBondContact O-ND1 3.26Å; H286-T288 PolarHBondContact O-N 2.94Å
287	V	98.2	Very high	96.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	171.6	177	0	0	0	0	110.5	L264 D280 L289 F340 A368 R372	L264-V287 HydrophobicContact CB-CG1 3.9Å; L264-V287 HydrophobicContact CD2-CG1 3.7Å; L264-V287 HydrophobicContact CG-CG1 4.49Å; D280-V287 HydrophobicContact CB-CG2 4.21Å; V287-L289 HydrophobicContact CG1-CD2 4.19Å; V287-F340 HydrophobicContact CB-CZ 4.24Å; V287-F340 HydrophobicContact CG1-CE2 4.04Å; V287-F340 HydrophobicContact CG1-CZ 4.05Å; V287-A368 WeakPolarHBondContact O-CB 3.29Å; V287-R372 WeakPolarHBondContact O-CD 3.18Å; V287-R372 PolarHBondContact O-NH1 3.43Å
288	T	98.8	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.9	170.3	-67.6	0	0	0	0	108.9	V71 F231 I262 G263 L264 H286 V290 A368 P373	V71-T288 HydrophobicContact CG2-CG2 4.13Å; F231-T288 HydrophobicContact CE2-CG2 4.23Å; F231-T288 HydrophobicContact CZ-CG2 4.08Å; I262-T288 WeakPolarHBondContact O-CA 3.38Å; I262-T288 PolarHBondContact O-N 3.34Å; I262-T288 VanDerWaalsContact O-O 3.07Å; G263-T288 CarbonylContact C-O 3.58Å; G263-T288 VanDerWaalsContact CA-O 3.3Å; G263-T288 WeakPolarHBondContact CA-O 3.31Å; L264-T288 PolarHBondContact N-O 3.03Å; H286-T288 PolarHBondContact O-N 2.94Å; T288-V290 HydrophobicContact CG2-CG1 4.48Å; T288-A368 CarbonylContact C-O 3.52Å; T288-A368 WeakPolarHBondContact CA-O 3.48Å; T288-P373 HydrophobicContact CG2-CB 3.72Å; T288-P373 HydrophobicContact CG2-CG 4.13Å
289	L	98.9	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.4	175.7	-61.8	179.4	0	0	0	110	L264 A266 V287 L333 C336 V337 F340 A368 A369	L264-L289 HydrophobicContact CB-CD2 4.32Å; L264-L289 HydrophobicContact CD2-CD2 4.38Å; L264-L289 WeakPolarHBondContact O-CA 3.38Å; A266-L289 HydrophobicContact CB-CD2 3.66Å; V287-L289 HydrophobicContact CG1-CD2 4.19Å; L289-L333 HydrophobicContact CB-CD1 3.87Å; L289-C336 HydrophobicContact CD1-CB 4.48Å; L289-V337 HydrophobicContact CD1-CB 4.42Å; L289-V337 HydrophobicContact CD1-CG2 3.93Å; L289-F340 HydrophobicContact CD1-CB 3.92Å; L289-F340 HydrophobicContact CD1-CD1 4.4Å; L289-F340 HydrophobicContact CD1-CG 4.28Å; L289-F340 HydrophobicContact CD2-CB 4.22Å; L289-F340 HydrophobicContact CD2-CD2 4.25Å; L289-F340 HydrophobicContact CD2-CG 4.15Å; L289-A368 HydrophobicContact CD1-CB 3.91Å; L289-A368 HydrophobicContact CG-CB 3.7Å; L289-A368 PolarHBondContact N-O 3.47Å; L289-A369 HydrophobicContact CB-CB 4.28Å; L289-A369 HydrophobicContact CD1-CB 4.45Å
290	V	98.9	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.7	173.4	-64.9	0	0	0	0	109.3	V71 Q72 L264 I265 T288	V71-V290 HydrophobicContact CG2-CG1 3.51Å; Q72-V290 HydrophobicContact CB-CB 3.97Å; Q72-V290 HydrophobicContact CB-CG1 3.99Å; Q72-V290 HydrophobicContact CB-CG2 4.44Å; L264-V290 PolarHBondContact O-N 2.64Å; L264-V290 VanDerWaalsContact O-N 3.16Å; I265-V290 HydrophobicContact CG1-CG2 3.91Å; T288-V290 HydrophobicContact CG2-CG1 4.48Å
291	T	98.7	Very high	97.2	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	19%	0.186	C	C	.	.			trans	-87.6	-27.5	171.5	60	0	0	0	0	112.6	D70 C293 T331 L333	D70-T291 PolarHBondContact OD1-N 3.29Å; D70-T291 VanDerWaalsContact OD2-CB 3.23Å; D70-T291 WeakPolarHBondContact OD2-CB 3.22Å; D70-T291 WeakPolarHBondContact OD2-CG2 3.3Å; D70-T291 PolarHBondContact OD2-N 2.75Å; D70-T291 PolarHBondContact OD2-OG1 3.25Å; T291-C293 PolarHBondContact O-N 2.85Å; T291-C293 VanDerWaalsContact OG1-CB 3.32Å; T291-C293 WeakPolarHBondContact OG1-CB 3.19Å; T291-C293 PolarHBondContact OG1-N 3.45Å; T291-C293 PolarHBondContact OG1-SG 2.77Å; T291-T331 WeakPolarHBondContact CG2-O 3.42Å; T291-L333 HydrophobicContact CG2-CB 3.64Å; T291-L333 HydrophobicContact CG2-CD1 4.15Å; T291-L333 HydrophobicContact CG2-CG 4.44Å
292	D	98.4	Very high	97.3	Very high	15 Å²	15	26.3 Å²	26.3	8%	0.08	17%	0.17	C	C	.	.			trans	51.4	32.1	-167.3	-169.3	29.8	0	0	0	111.5	Q72 N74 H234 I265 G328 G329	Q72-D292 HydrophobicContact CG-CB 4.48Å; Q72-D292 PolarHBondContact NE2-OD1 2.82Å; Q72-D292 VanDerWaalsContact O-CA 3.3Å; Q72-D292 WeakPolarHBondContact O-CA 3.47Å; Q72-D292 PolarHBondContact O-N 3.37Å; Q72-D292 VanDerWaalsContact O-N 3.1Å; N74-D292 PolarHBondContact ND2-O 2.84Å; N74-D292 PolarHBondContact ND2-OD1 2.75Å; H234-D292 IonicContact CD2-OD2 3.34Å; I265-D292 HydrophobicContact CD1-CB 3.46Å; I265-D292 VanDerWaalsContact CD1-CB 3.46Å; I265-D292 WeakPolarHBondContact CD1-OD2 3.07Å; I265-D292 HydrophobicContact CG1-CB 3.83Å; D292-G328 CarbonylContact O-C 3.35Å; D292-G328 WeakPolarHBondContact O-CA 3.39Å; D292-G329 PolarHBondContact O-N 2.8Å
293	C	98.2	Very high	97.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-74.9	146.7	-164.5	71.2	0	0	0	0	113.2	N74 G75 T291 F297 G329	N74-C293 WeakPolarHBondContact CA-O 3.18Å; N74-C293 VanDerWaalsContact CB-O 3.31Å; N74-C293 WeakPolarHBondContact CB-O 3.43Å; N74-C293 PolarHBondContact N-O 2.98Å; G75-C293 PolarHBondContact N-O 3.11Å; G75-C293 CarbonylContact O-C 3.57Å; G75-C293 PolarHBondContact O-SG 3.29Å; G75-C293 VanDerWaalsContact O-SG 3.34Å; T291-C293 PolarHBondContact O-N 2.85Å; T291-C293 VanDerWaalsContact OG1-CB 3.32Å; T291-C293 WeakPolarHBondContact OG1-CB 3.19Å; T291-C293 PolarHBondContact OG1-N 3.45Å; T291-C293 PolarHBondContact OG1-SG 2.77Å; C293-F297 HydrophobicContact CB-CB 3.92Å; C293-F297 HydrophobicContact CB-CD2 3.63Å; C293-F297 HydrophobicContact CB-CE2 4.4Å; C293-F297 HydrophobicContact CB-CG 3.96Å; C293-G329 WeakPolarHBondContact CA-O 3.33Å; C293-G329 WeakPolarHBondContact CB-O 3.12Å
294	N	97.6	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.196	C	C	.	.			trans	-106.6	-179.9	-178.9	68.9	53.6	0	0	0	112.2	G75 A296 F297 F306 I311 A318 A327 G329	G75-N294 VanDerWaalsContact C-C 3.41Å; G75-N294 CarbonylContact C-O 3.56Å; G75-N294 VanDerWaalsContact C-O 3.25Å; G75-N294 CarbonylContact O-C 3.57Å; G75-N294 VanDerWaalsContact O-C 3.28Å; N294-A296 PolarHBondContact O-N 3Å; N294-A296 WeakPolarHBondContact OD1-CA 3.49Å; N294-A296 VanDerWaalsContact OD1-CB 3.24Å; N294-A296 WeakPolarHBondContact OD1-CB 3.22Å; N294-A296 PolarHBondContact OD1-N 3.2Å; N294-F297 VanDerWaalsContact O-CB 3.25Å; N294-F297 WeakPolarHBondContact O-CB 3.46Å; N294-F297 PolarHBondContact O-N 3.32Å; N294-F306 HydrophobicContact CB-CD1 3.44Å; N294-F306 VanDerWaalsContact CB-CD1 3.44Å; N294-F306 HydrophobicContact CB-CE1 3.64Å; N294-F306 HydrophobicContact CB-CG 4.03Å; N294-F306 HydrophobicContact CB-CZ 4.39Å; N294-I311 HydrophobicContact CB-CD1 4.48Å; N294-A318 WeakPolarHBondContact ND2-CB 3.44Å; N294-A327 PolarHBondContact ND2-O 3.21Å; N294-G329 PolarHBondContact N-O 2.97Å; N294-G329 VanDerWaalsContact N-O 3.07Å; N294-G329 PolarHBondContact ND2-O 2.88Å
295	T	97.7	Very high	97.9	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.043	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-32.4	-179.5	-166.4	0	0	0	0	114.7	A76 Y77 G78 Y79 F297 Y304 T305 F306 I311	A76-T295 CarbonylContact C-O 3.56Å; Y77-T295 PolarHBondContact N-O 3.41Å; G78-T295 WeakPolarHBondContact CA-O 3.38Å; G78-T295 VanDerWaalsContact CA-OG1 3.29Å; G78-T295 WeakPolarHBondContact CA-OG1 3.24Å; G78-T295 PolarHBondContact N-O 3.04Å; G78-T295 PolarHBondContact O-OG1 2.96Å; Y79-T295 PolarHBondContact N-OG1 2.87Å; T295-F297 VanDerWaalsContact C-N 3.26Å; T295-F297 PolarHBondContact O-N 2.94Å; T295-Y304 HydrophobicContact CG2-CG 4.49Å; T295-T305 WeakPolarHBondContact CG2-O 3.18Å; T295-F306 HydrophobicContact CG2-CB 4.46Å; T295-I311 HydrophobicContact CG2-CD1 4.2Å
296	A	98.2	Very high	97.9	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.5	-176.9	0	0	0	0	0	113.5	N294 G298 L299 Y304 I311 V313 T330	N294-A296 PolarHBondContact O-N 3Å; N294-A296 WeakPolarHBondContact OD1-CA 3.49Å; N294-A296 VanDerWaalsContact OD1-CB 3.24Å; N294-A296 WeakPolarHBondContact OD1-CB 3.22Å; N294-A296 PolarHBondContact OD1-N 3.2Å; A296-G298 PolarHBondContact O-N 2.95Å; A296-L299 WeakPolarHBondContact O-CB 3.5Å; A296-L299 PolarHBondContact O-N 2.92Å; A296-Y304 HydrophobicContact CB-CD1 4.44Å; A296-Y304 HydrophobicContact CB-CD2 3.49Å; A296-Y304 VanDerWaalsContact CB-CD2 3.49Å; A296-Y304 HydrophobicContact CB-CE2 3.64Å; A296-Y304 HydrophobicContact CB-CG 3.91Å; A296-I311 HydrophobicContact CB-CD1 4.37Å; A296-V313 HydrophobicContact CB-CG2 3.59Å; A296-T330 HydrophobicContact CB-CG2 4.33Å
297	F	98.5	Very high	97.7	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.022	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	128.1	176.9	179.3	-89	0	0	0	111.6	A76 Y77 L99 T102 C293 N294 T295 L299 T330 P332	A76-F297 HydrophobicContact CB-CB 4.09Å; A76-F297 HydrophobicContact CB-CD1 3.83Å; A76-F297 HydrophobicContact CB-CG 4.35Å; Y77-F297 WeakPolarHBondContact CA-O 3.48Å; Y77-F297 HydrophobicContact CE1-CD1 4.49Å; Y77-F297 HydrophobicContact CE2-CD1 4.26Å; Y77-F297 HydrophobicContact CE2-CE1 4.33Å; Y77-F297 AromaticContact CZ-CE1 3.95Å; Y77-F297 PolarHBondContact N-O 3.23Å; L99-F297 HydrophobicContact CD2-CE1 4.18Å; T102-F297 HydrophobicContact CG2-CE1 4.06Å; T102-F297 HydrophobicContact CG2-CZ 3.91Å; C293-F297 HydrophobicContact CB-CB 3.92Å; C293-F297 HydrophobicContact CB-CD2 3.63Å; C293-F297 HydrophobicContact CB-CE2 4.4Å; C293-F297 HydrophobicContact CB-CG 3.96Å; N294-F297 VanDerWaalsContact O-CB 3.25Å; N294-F297 WeakPolarHBondContact O-CB 3.46Å; N294-F297 PolarHBondContact O-N 3.32Å; T295-F297 VanDerWaalsContact C-N 3.26Å; T295-F297 PolarHBondContact O-N 2.94Å; F297-L299 PolarHBondContact O-N 3.13Å; F297-T330 WeakPolarHBondContact CD2-O 3.45Å; F297-P332 HydrophobicContact CE2-CB 4.4Å; F297-P332 HydrophobicContact CE2-CG 4.17Å; F297-P332 HydrophobicContact CZ-CB 4.31Å; F297-P332 HydrophobicContact CZ-CG 4.21Å
298	G	97.8	Very high	97.3	Very high	50 Å²	50	34.9 Å²	34.9	52%	0.515	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	11.4	-178.8	0	0	0	0	0	114.8	A296	A296-G298 PolarHBondContact O-N 2.95Å
299	L	98.4	Very high	97	Very high	66 Å²	66	37.3 Å²	37.3	35%	0.346	23%	0.232	S	C	.	.	S	Bend	trans	-111.9	162.3	169.9	-59.1	-178.1	0	0	0	110.9	A296 F297 Y304	A296-L299 WeakPolarHBondContact O-CB 3.5Å; A296-L299 PolarHBondContact O-N 2.92Å; F297-L299 PolarHBondContact O-N 3.13Å; L299-Y304 HydrophobicContact CB-CE1 4.26Å; L299-Y304 WeakPolarHBondContact CB-OH 3.44Å; L299-Y304 HydrophobicContact CD1-CD1 4.28Å; L299-Y304 HydrophobicContact CD1-CE1 3.55Å
300	P	98.1	Very high	96.9	Very high	101 Å²	101	42.2 Å²	42.2	66%	0.656	26%	0.258	S	S	*	.			trans	-63.1	164.5	173.7	-21.7	34.3	0	0	0	113.3	Y304	P300-Y304 PolarHBondContact O-OH 2.9Å
301	D	98.3	Very high	96.9	Very high	89 Å²	89	42.2 Å²	42.2	48%	0.476	26%	0.258	S	S	.	.	S	Bend	trans	-54.1	143.5	167.3	-73	-5.9	0	0	0	111.2	V313 A315 G316	D301-V313 WeakPolarHBondContact CA-O 3.42Å; D301-V313 WeakPolarHBondContact CB-O 3.47Å; D301-A315 WeakPolarHBondContact OD2-CA 3.38Å; D301-A315 PolarHBondContact OD2-N 2.7Å; D301-G316 PolarHBondContact OD1-N 2.85Å
302	G	98.1	Very high	96.8	Very high	21 Å²	21	44.6 Å²	44.6	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-170	-173.8	0	0	0	0	0	113.9	V313	G302-V313 PolarHBondContact N-O 2.86Å; G302-V313 PolarHBondContact O-N 2.85Å
303	S	98.2	Very high	96.8	Very high	95 Å²	95	44.1 Å²	44.1	66%	0.664	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.5	179.2	-47.9	0	0	0	0	111	I311 Q312	S303-I311 WeakPolarHBondContact CA-O 3.16Å; S303-Q312 PolarHBondContact OG-OE1 3.25Å
304	Y	97.5	Very high	96.8	Very high	50 Å²	50	49.6 Å²	49.6	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	174.4	-178.2	-55.6	-85.6	0	0	0	110.9	T295 A296 L299 P300 I311 V313	T295-Y304 HydrophobicContact CG2-CG 4.49Å; A296-Y304 HydrophobicContact CB-CD1 4.44Å; A296-Y304 HydrophobicContact CB-CD2 3.49Å; A296-Y304 VanDerWaalsContact CB-CD2 3.49Å; A296-Y304 HydrophobicContact CB-CE2 3.64Å; A296-Y304 HydrophobicContact CB-CG 3.91Å; L299-Y304 HydrophobicContact CB-CE1 4.26Å; L299-Y304 WeakPolarHBondContact CB-OH 3.44Å; L299-Y304 HydrophobicContact CD1-CD1 4.28Å; L299-Y304 HydrophobicContact CD1-CE1 3.55Å; P300-Y304 PolarHBondContact O-OH 2.9Å; Y304-I311 PolarHBondContact N-O 3.28Å; Y304-I311 PolarHBondContact O-N 2.97Å; Y304-V313 HydrophobicContact CD2-CG2 3.87Å; Y304-V313 HydrophobicContact CE2-CB 4.35Å; Y304-V313 HydrophobicContact CE2-CG2 4.05Å
305	T	96	Very high	96.7	Very high	83 Å²	83	53.5 Å²	53.5	51%	0.509	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133	172.2	53.9	0	0	0	0	109.9	T295 Q309	T295-T305 WeakPolarHBondContact CG2-O 3.18Å; T305-Q309 CarbonylContact C-O 3.6Å; T305-Q309 WeakPolarHBondContact CA-O 3.37Å
306	F	94.6	Very high	96.6	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	114.5	174.8	177	-156.9	0	0	0	109	N74 I112 M155 N294 T295 E308 Q309 I311	N74-F306 HydrophobicContact CB-CE1 4.13Å; N74-F306 HydrophobicContact CB-CE2 3.54Å; N74-F306 HydrophobicContact CB-CZ 3.21Å; I112-F306 HydrophobicContact CD1-CD2 4.19Å; I112-F306 HydrophobicContact CD1-CE2 3.65Å; I112-F306 HydrophobicContact CD1-CZ 3.88Å; I112-F306 HydrophobicContact CG1-CE2 4.16Å; I112-F306 HydrophobicContact CG1-CZ 4.49Å; I112-F306 HydrophobicContact CG2-CE2 4.25Å; I112-F306 HydrophobicContact CG2-CZ 3.87Å; M155-F306 HydrophobicContact CE-CB 4.24Å; M155-F306 HydrophobicContact CE-CD1 3.16Å; M155-F306 HydrophobicContact CE-CD2 4.29Å; M155-F306 HydrophobicContact CE-CE1 3.33Å; M155-F306 HydrophobicContact CE-CE2 4.39Å; M155-F306 HydrophobicContact CE-CG 3.66Å; M155-F306 HydrophobicContact CE-CZ 3.91Å; M155-F306 HydrophobicContact SD-CD1 3.47Å; M155-F306 WeakPolarHBondContact SD-CD1 3.48Å; M155-F306 HydrophobicContact SD-CE1 3.19Å; M155-F306 WeakPolarHBondContact SD-CE1 3.5Å; M155-F306 HydrophobicContact SD-CZ 4.04Å; N294-F306 HydrophobicContact CB-CD1 3.44Å; N294-F306 VanDerWaalsContact CB-CD1 3.44Å; N294-F306 HydrophobicContact CB-CE1 3.64Å; N294-F306 HydrophobicContact CB-CG 4.03Å; N294-F306 HydrophobicContact CB-CZ 4.39Å; T295-F306 HydrophobicContact CG2-CB 4.46Å; F306-E308 PolarHBondContact O-N 2.83Å; F306-Q309 PolarHBondContact N-O 2.7Å; F306-Q309 PolarHBondContact O-N 2.78Å; F306-Q309 VanDerWaalsContact O-N 3.1Å; F306-I311 HydrophobicContact CB-CD1 4.01Å; F306-I311 HydrophobicContact CB-CG1 4.44Å; F306-I311 HydrophobicContact CB-CG2 3.97Å
307	G	92.1	Very high	96.6	Very high	33 Å²	33	58.4 Å²	58.4	34%	0.34	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-133.4	-162.2	0	0	0	0	0	110.7	D80 Q309	D80-G307 PolarHBondContact OD2-N 3.05Å; G307-Q309 VanDerWaalsContact C-N 3.31Å
308	E	89.8	Confident	96.6	Very high	111 Å²	111	58.2 Å²	58.2	52%	0.519	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.5	173.9	-63.5	-170.3	162.6	0	0	113.5	Q157 Y160 F306	Q157-E308 PolarHBondContact NE2-OE2 2.9Å; Y160-E308 VanDerWaalsContact CE2-CD 3.44Å; Y160-E308 HydrophobicContact CE2-CG 4.49Å; Y160-E308 WeakPolarHBondContact CE2-OE1 3.31Å; Y160-E308 WeakPolarHBondContact CE2-OE2 3.29Å; Y160-E308 PolarHBondContact OH-OE1 3.43Å; Y160-E308 PolarHBondContact OH-OE2 2.91Å; F306-E308 PolarHBondContact O-N 2.83Å
309	Q	93.7	Very high	96.6	Very high	50 Å²	50	58.6 Å²	58.6	23%	0.234	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.4	-174.8	-62.2	-68.4	-8.9	0	0	111.3	T305 F306 G307	T305-Q309 CarbonylContact C-O 3.6Å; T305-Q309 WeakPolarHBondContact CA-O 3.37Å; F306-Q309 PolarHBondContact N-O 2.7Å; F306-Q309 PolarHBondContact O-N 2.78Å; F306-Q309 VanDerWaalsContact O-N 3.1Å; G307-Q309 VanDerWaalsContact C-N 3.31Å
310	N	96.9	Very high	96.5	Very high	103 Å²	103	56.4 Å²	56.4	55%	0.551	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	130.7	161.8	-65.8	-54.1	0	0	0	108.4	A321	N310-A321 HydrophobicContact CB-CB 3.96Å; N310-A321 WeakPolarHBondContact O-CB 3.26Å; N310-A321 PolarHBondContact O-N 2.86Å
311	I	97.6	Very high	96.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.6	175.7	68	169.1	0	0	0	110.7	N294 T295 A296 S303 Y304 F306 Y319 A327	N294-I311 HydrophobicContact CB-CD1 4.48Å; T295-I311 HydrophobicContact CG2-CD1 4.2Å; A296-I311 HydrophobicContact CB-CD1 4.37Å; S303-I311 WeakPolarHBondContact CA-O 3.16Å; Y304-I311 PolarHBondContact N-O 3.28Å; Y304-I311 PolarHBondContact O-N 2.97Å; F306-I311 HydrophobicContact CB-CD1 4.01Å; F306-I311 HydrophobicContact CB-CG1 4.44Å; F306-I311 HydrophobicContact CB-CG2 3.97Å; I311-Y319 CarbonylContact C-O 3.51Å; I311-Y319 WeakPolarHBondContact CA-O 2.97Å; I311-Y319 WeakPolarHBondContact CB-O 3.44Å; I311-A327 HydrophobicContact CB-CB 4.44Å; I311-A327 HydrophobicContact CG2-CB 3.64Å
312	Q	98.2	Very high	96.3	Very high	53 Å²	53	53.8 Å²	53.8	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.6	174.7	-178.3	63.9	20.1	0	0	108.3	S303 E314 Y319	S303-Q312 PolarHBondContact OG-OE1 3.25Å; Q312-E314 HydrophobicContact CG-CG 4.09Å; Q312-E314 WeakPolarHBondContact CG-OE1 3.15Å; Q312-E314 PolarHBondContact NE2-OE1 2.91Å; Q312-Y319 PolarHBondContact N-O 2.92Å; Q312-Y319 PolarHBondContact O-N 3.17Å
313	V	98.4	Very high	96.2	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.5	177.1	-174	0	0	0	0	109.6	A296 D301 G302 Y304 K317 A318 T330	A296-V313 HydrophobicContact CB-CG2 3.59Å; D301-V313 WeakPolarHBondContact CA-O 3.42Å; D301-V313 WeakPolarHBondContact CB-O 3.47Å; G302-V313 PolarHBondContact N-O 2.86Å; G302-V313 PolarHBondContact O-N 2.85Å; Y304-V313 HydrophobicContact CD2-CG2 3.87Å; Y304-V313 HydrophobicContact CE2-CB 4.35Å; Y304-V313 HydrophobicContact CE2-CG2 4.05Å; V313-K317 VanDerWaalsContact CA-O 3.29Å; V313-K317 WeakPolarHBondContact CA-O 3.31Å; V313-A318 HydrophobicContact CG2-CB 3.96Å; V313-T330 HydrophobicContact CG1-CG2 4.3Å; V313-T330 HydrophobicContact CG2-CG2 4.49Å
314	E	97.3	Very high	96	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.542	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.2	178	-70	178	-168.1	0	0	110.2	Q312 G316 K317	Q312-E314 HydrophobicContact CG-CG 4.09Å; Q312-E314 WeakPolarHBondContact CG-OE1 3.15Å; Q312-E314 PolarHBondContact NE2-OE1 2.91Å; E314-G316 PolarHBondContact O-N 2.9Å; E314-K317 PolarHBondContact N-O 3.14Å; E314-K317 WeakPolarHBondContact O-CB 3.46Å; E314-K317 PolarHBondContact O-N 3.16Å
315	A	96.4	Very high	95.8	Very high	83 Å²	83	58.5 Å²	58.5	69%	0.686	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	41.1	-173.9	0	0	0	0	0	112.6	D301 K317	D301-A315 WeakPolarHBondContact OD2-CA 3.38Å; D301-A315 PolarHBondContact OD2-N 2.7Å; A315-K317 PolarHBondContact O-N 3.05Å
316	G	95.7	Very high	95.9	Very high	27 Å²	27	56.7 Å²	56.7	28%	0.278	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	12.2	-176.5	0	0	0	0	0	115.2	D301 E314 T330	D301-G316 PolarHBondContact OD1-N 2.85Å; E314-G316 PolarHBondContact O-N 2.9Å; G316-T330 PolarHBondContact O-OG1 2.71Å
317	K	97.7	Very high	95.9	Very high	84 Å²	84	56.7 Å²	56.7	37%	0.365	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.9	178.6	-55.2	179	-172.8	174.6	0	109.6	V269 V313 E314 A315 Y319	V269-K317 HydrophobicContact CG1-CB 4.31Å; V269-K317 HydrophobicContact CG1-CD 3.9Å; V269-K317 HydrophobicContact CG1-CG 3.84Å; V269-K317 HydrophobicContact CG2-CD 4.34Å; V269-K317 HydrophobicContact CG2-CG 4.04Å; V313-K317 VanDerWaalsContact CA-O 3.29Å; V313-K317 WeakPolarHBondContact CA-O 3.31Å; E314-K317 PolarHBondContact N-O 3.14Å; E314-K317 WeakPolarHBondContact O-CB 3.46Å; E314-K317 PolarHBondContact O-N 3.16Å; A315-K317 PolarHBondContact O-N 3.05Å; K317-Y319 HydrophobicContact CB-CD2 4.34Å; K317-Y319 HydrophobicContact CB-CE2 3.48Å; K317-Y319 VanDerWaalsContact CB-CE2 3.48Å; K317-Y319 HydrophobicContact CD-CE2 4.45Å; K317-Y319 VanDerWaalsContact CD-OH 3.32Å; K317-Y319 WeakPolarHBondContact CD-OH 3.47Å
318	A	98	Very high	96.1	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.6	179.8	0	0	0	0	0	110.8	N294 V313 L326 A327 T330	N294-A318 WeakPolarHBondContact ND2-CB 3.44Å; V313-A318 HydrophobicContact CG2-CB 3.96Å; A318-L326 WeakPolarHBondContact O-CA 3.33Å; A318-A327 PolarHBondContact O-N 3.18Å; A318-T330 HydrophobicContact CB-CG2 4.11Å
319	Y	97.8	Very high	96.5	Very high	58 Å²	58	50.1 Å²	50.1	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.6	177	-59.6	-83.9	0	0	0	110.6	I311 Q312 K317 A321 C325 L326	I311-Y319 CarbonylContact C-O 3.51Å; I311-Y319 WeakPolarHBondContact CA-O 2.97Å; I311-Y319 WeakPolarHBondContact CB-O 3.44Å; Q312-Y319 PolarHBondContact N-O 2.92Å; Q312-Y319 PolarHBondContact O-N 3.17Å; K317-Y319 HydrophobicContact CB-CD2 4.34Å; K317-Y319 HydrophobicContact CB-CE2 3.48Å; K317-Y319 VanDerWaalsContact CB-CE2 3.48Å; K317-Y319 HydrophobicContact CD-CE2 4.45Å; K317-Y319 VanDerWaalsContact CD-OH 3.32Å; K317-Y319 WeakPolarHBondContact CD-OH 3.47Å; Y319-A321 PolarHBondContact O-N 3.24Å; Y319-C325 CarbonylContact C-O 2.98Å; Y319-C325 WeakPolarHBondContact CA-O 3.22Å; Y319-L326 HydrophobicContact CD1-CD2 3.81Å; Y319-L326 HydrophobicContact CD1-CG 4.43Å; Y319-L326 HydrophobicContact CE1-CD2 3.41Å; Y319-L326 VanDerWaalsContact CE1-CD2 3.41Å; Y319-L326 HydrophobicContact CE1-CG 4.17Å
320	I	96.5	Very high	96.7	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	125	161.7	-53.6	174.7	0	0	0	107.3	M155 G322 T323 C325 A327	M155-I320 HydrophobicContact CB-CD1 3.66Å; M155-I320 HydrophobicContact CB-CG1 4.04Å; I320-G322 PolarHBondContact O-N 3.3Å; I320-T323 HydrophobicContact CB-CG2 4.38Å; I320-T323 WeakPolarHBondContact CB-OG1 3.31Å; I320-T323 HydrophobicContact CG2-CG2 4.3Å; I320-T323 PolarHBondContact O-N 3.11Å; I320-T323 PolarHBondContact O-OG1 2.87Å; I320-C325 HydrophobicContact CD1-CB 3.9Å; I320-C325 HydrophobicContact CG1-CB 4.25Å; I320-C325 PolarHBondContact N-O 3.24Å; I320-A327 HydrophobicContact CG1-CB 4.11Å
321	A	96.4	Very high	96.7	Very high	48 Å²	48	45.2 Å²	45.2	40%	0.397	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	127.8	-173.1	0	0	0	0	0	111.3	N310 Y319	N310-A321 HydrophobicContact CB-CB 3.96Å; N310-A321 WeakPolarHBondContact O-CB 3.26Å; N310-A321 PolarHBondContact O-N 2.86Å; Y319-A321 PolarHBondContact O-N 3.24Å
322	G	95.4	Very high	96.8	Very high	88 Å²	88	47.3 Å²	47.3	91%	0.907	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	6.7	-178.3	0	0	0	0	0	115.3	I320	I320-G322 PolarHBondContact O-N 3.3Å
323	T	95.8	Very high	96.8	Very high	63 Å²	63	44.8 Å²	44.8	39%	0.387	28%	0.284	S	S	.	.	S	Bend	trans	-130.6	172.5	178.6	82.9	0	0	0	0	111.5	I320 C325	I320-T323 HydrophobicContact CB-CG2 4.38Å; I320-T323 WeakPolarHBondContact CB-OG1 3.31Å; I320-T323 HydrophobicContact CG2-CG2 4.3Å; I320-T323 PolarHBondContact O-N 3.11Å; I320-T323 PolarHBondContact O-OG1 2.87Å; T323-C325 WeakPolarHBondContact OG1-CB 3.34Å; T323-C325 PolarHBondContact OG1-N 3.47Å
324	N	93.9	Very high	96.8	Very high	155 Å²	155	45.2 Å²	45.2	83%	0.829	29%	0.287	S	S	*	.	S	Bend	trans	-97.5	9.1	167.7	-65.9	-38.8	0	0	0	112.6	L326	N324-L326 PolarHBondContact O-N 2.88Å
325	C	94.9	Very high	96.8	Very high	47 Å²	47	42 Å²	42	32%	0.318	28%	0.275	S	S	.	.			trans	-75.4	121	178	-173.1	0	0	0	0	108.8	Y319 I320 T323	Y319-C325 CarbonylContact C-O 2.98Å; Y319-C325 WeakPolarHBondContact CA-O 3.22Å; I320-C325 HydrophobicContact CD1-CB 3.9Å; I320-C325 HydrophobicContact CG1-CB 4.25Å; I320-C325 PolarHBondContact N-O 3.24Å; T323-C325 WeakPolarHBondContact OG1-CB 3.34Å; T323-C325 PolarHBondContact OG1-N 3.47Å
326	L	96.2	Very high	96.9	Very high	45 Å²	45	38.1 Å²	38.1	24%	0.236	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-65.9	143.4	174.5	-68.5	169.4	0	0	0	110.1	V269 H270 A318 Y319 N324	V269-L326 HydrophobicContact CG1-CD1 4.12Å; V269-L326 HydrophobicContact CG1-CD2 3.85Å; H270-L326 HydrophobicContact CB-CD1 4.47Å; A318-L326 WeakPolarHBondContact O-CA 3.33Å; Y319-L326 HydrophobicContact CD1-CD2 3.81Å; Y319-L326 HydrophobicContact CD1-CG 4.43Å; Y319-L326 HydrophobicContact CE1-CD2 3.41Å; Y319-L326 VanDerWaalsContact CE1-CD2 3.41Å; Y319-L326 HydrophobicContact CE1-CG 4.17Å; N324-L326 PolarHBondContact O-N 2.88Å
327	A	96	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.229	C	C	.	.			trans	-122.9	70	-178.4	0	0	0	0	0	110.1	M155 N294 I311 A318 I320	M155-A327 HydrophobicContact SD-CB 3.71Å; N294-A327 PolarHBondContact ND2-O 3.21Å; I311-A327 HydrophobicContact CB-CB 4.44Å; I311-A327 HydrophobicContact CG2-CB 3.64Å; A318-A327 PolarHBondContact O-N 3.18Å; I320-A327 HydrophobicContact CG1-CB 4.11Å
328	G	96	Very high	97.1	Very high	6 Å²	6	34.3 Å²	34.3	6%	0.062	22%	0.218	C	C	.	.	S	Bend	trans	67.3	-179.9	-173.2	0	0	0	0	0	114	H270 D292	H270-G328 PolarHBondContact CE1-O 3.36Å; H270-G328 VanDerWaalsContact CE1-O 3.3Å; D292-G328 CarbonylContact O-C 3.35Å; D292-G328 WeakPolarHBondContact O-CA 3.39Å
329	G	97	Very high	97.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.01	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-91.7	163.3	-178.9	0	0	0	0	0	115	D292 C293 N294	D292-G329 PolarHBondContact O-N 2.8Å; C293-G329 WeakPolarHBondContact CA-O 3.33Å; C293-G329 WeakPolarHBondContact CB-O 3.12Å; N294-G329 PolarHBondContact N-O 2.97Å; N294-G329 VanDerWaalsContact N-O 3.07Å; N294-G329 PolarHBondContact ND2-O 2.88Å
330	T	98.1	Very high	97.1	Very high	24 Å²	24	31.7 Å²	31.7	15%	0.147	21%	0.207	C	C	.	.			trans	-128.4	6.4	161.9	75.8	0	0	0	0	112.4	A296 F297 V313 G316 A318	A296-T330 HydrophobicContact CB-CG2 4.33Å; F297-T330 WeakPolarHBondContact CD2-O 3.45Å; V313-T330 HydrophobicContact CG1-CG2 4.3Å; V313-T330 HydrophobicContact CG2-CG2 4.49Å; G316-T330 PolarHBondContact O-OG1 2.71Å; A318-T330 HydrophobicContact CB-CG2 4.11Å
331	T	98.3	Very high	97.2	Very high	26 Å²	26	30.9 Å²	30.9	16%	0.16	20%	0.203	C	C	.	.	S	Bend	trans	-87.7	130.5	-175.6	-66.1	0	0	0	0	111.3	D267 T291 T335	D267-T331 HydrophobicContact CB-CG2 3.88Å; T291-T331 WeakPolarHBondContact CG2-O 3.42Å; T331-T335 HydrophobicContact CG2-CG2 3.66Å
332	P	98.4	Very high	97.2	Very high	44 Å²	44	29.7 Å²	29.7	29%	0.286	19%	0.19	S	C	.	.			trans	-58.9	144.5	176.4	-27.8	36.4	0	0	0	114	F297 L334 T335 C336	F297-P332 HydrophobicContact CE2-CB 4.4Å; F297-P332 HydrophobicContact CE2-CG 4.17Å; F297-P332 HydrophobicContact CZ-CB 4.31Å; F297-P332 HydrophobicContact CZ-CG 4.21Å; P332-L334 VanDerWaalsContact C-N 3.26Å; P332-L334 PolarHBondContact O-N 3.42Å; P332-T335 WeakPolarHBondContact O-CA 3.5Å; P332-T335 VanDerWaalsContact O-CB 3.26Å; P332-T335 WeakPolarHBondContact O-CB 3.39Å; P332-T335 PolarHBondContact O-N 2.82Å; P332-C336 PolarHBondContact O-N 2.79Å; P332-C336 VanDerWaalsContact O-N 3.11Å
333	L	98.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.3	-36.9	-179	-171.5	55.7	0	0	0	112.8	L68 D70 V104 L289 T291 T335 C336 V337 A369	L68-L333 HydrophobicContact CB-CD2 3.85Å; L68-L333 HydrophobicContact CD1-CB 4.37Å; L68-L333 HydrophobicContact CD1-CD2 4.46Å; L68-L333 HydrophobicContact CD1-CG 4.29Å; D70-L333 HydrophobicContact CB-CD2 3.94Å; V104-L333 HydrophobicContact CG2-CB 4.05Å; V104-L333 HydrophobicContact CG2-CD2 4.13Å; L289-L333 HydrophobicContact CB-CD1 3.87Å; T291-L333 HydrophobicContact CG2-CB 3.64Å; T291-L333 HydrophobicContact CG2-CD1 4.15Å; T291-L333 HydrophobicContact CG2-CG 4.44Å; L333-T335 VanDerWaalsContact C-N 3.27Å; L333-T335 PolarHBondContact O-N 2.88Å; L333-C336 HydrophobicContact CD1-CB 4.34Å; L333-C336 CarbonylContact O-C 3.25Å; L333-C336 WeakPolarHBondContact O-CA 3.06Å; L333-C336 VanDerWaalsContact O-CB 3.29Å; L333-C336 WeakPolarHBondContact O-CB 3.46Å; L333-C336 PolarHBondContact O-N 3.47Å; L333-C336 VanDerWaalsContact O-N 3.09Å; L333-V337 WeakPolarHBondContact O-CG2 3.24Å; L333-V337 PolarHBondContact O-N 3.39Å; L333-A369 HydrophobicContact CD1-CB 4.18Å; L333-A369 HydrophobicContact CD2-CB 4.07Å; L333-A369 HydrophobicContact CG-CB 3.96Å
334	L	98.5	Very high	97.4	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.068	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-30.7	175.9	-170	64	0	0	0	112.7	L68 P332 V337 R338 I411 I413 I426 L428	L68-L334 HydrophobicContact CD1-CB 4.03Å; L68-L334 HydrophobicContact CD1-CD1 4.09Å; P332-L334 VanDerWaalsContact C-N 3.26Å; P332-L334 PolarHBondContact O-N 3.42Å; L334-V337 WeakPolarHBondContact O-CB 3.26Å; L334-V337 PolarHBondContact O-N 2.79Å; L334-R338 PolarHBondContact O-N 2.84Å; L334-I411 HydrophobicContact CD1-CD1 4.18Å; L334-I413 HydrophobicContact CD1-CG2 4.42Å; L334-I413 HydrophobicContact CD2-CG2 4.35Å; L334-I426 HydrophobicContact CD1-CG2 3.81Å; L334-I426 HydrophobicContact CD2-CG2 4.13Å; L334-I426 HydrophobicContact CG-CB 4.43Å; L334-I426 HydrophobicContact CG-CG2 4.05Å; L334-L428 HydrophobicContact CD2-CB 3.76Å; L334-L428 HydrophobicContact CD2-CD1 4.47Å
335	T	97.9	Very high	97.5	Very high	49 Å²	49	17.4 Å²	17.4	30%	0.301	10%	0.1	S	C	.	.	H	α-helix	trans	-69.3	-38.7	171.1	-55.2	0	0	0	0	110.6	T331 P332 L333 V337 R338 N339	T331-T335 HydrophobicContact CG2-CG2 3.66Å; P332-T335 WeakPolarHBondContact O-CA 3.5Å; P332-T335 VanDerWaalsContact O-CB 3.26Å; P332-T335 WeakPolarHBondContact O-CB 3.39Å; P332-T335 PolarHBondContact O-N 2.82Å; L333-T335 VanDerWaalsContact C-N 3.27Å; L333-T335 PolarHBondContact O-N 2.88Å; T335-V337 VanDerWaalsContact C-N 3.34Å; T335-V337 PolarHBondContact O-N 2.77Å; T335-R338 WeakPolarHBondContact O-CB 3.31Å; T335-R338 PolarHBondContact O-N 2.77Å; T335-N339 PolarHBondContact O-N 2.81Å; T335-N339 PolarHBondContact O-ND2 2.98Å; T335-N339 PolarHBondContact O-OD1 3.09Å
336	C	98.7	Very high	97.4	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-42	171.4	-63.5	0	0	0	0	111.8	A266 L289 P332 L333 R338 N339 F340	A266-C336 HydrophobicContact CB-CB 4.07Å; A266-C336 WeakPolarHBondContact O-CA 3.31Å; L289-C336 HydrophobicContact CD1-CB 4.48Å; P332-C336 PolarHBondContact O-N 2.79Å; P332-C336 VanDerWaalsContact O-N 3.11Å; L333-C336 HydrophobicContact CD1-CB 4.34Å; L333-C336 CarbonylContact O-C 3.25Å; L333-C336 WeakPolarHBondContact O-CA 3.06Å; L333-C336 VanDerWaalsContact O-CB 3.29Å; L333-C336 WeakPolarHBondContact O-CB 3.46Å; L333-C336 PolarHBondContact O-N 3.47Å; L333-C336 VanDerWaalsContact O-N 3.09Å; C336-R338 PolarHBondContact O-N 2.86Å; C336-N339 PolarHBondContact O-N 2.84Å; C336-F340 WeakPolarHBondContact O-CB 3.34Å; C336-F340 PolarHBondContact O-N 2.91Å
337	V	98.7	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-47.2	172.8	171.2	0	0	0	0	111	L289 L333 L334 T335 N339 F340 W341 A365 L366 A369 I426	L289-V337 HydrophobicContact CD1-CB 4.42Å; L289-V337 HydrophobicContact CD1-CG2 3.93Å; L333-V337 WeakPolarHBondContact O-CG2 3.24Å; L333-V337 PolarHBondContact O-N 3.39Å; L334-V337 WeakPolarHBondContact O-CB 3.26Å; L334-V337 PolarHBondContact O-N 2.79Å; T335-V337 VanDerWaalsContact C-N 3.34Å; T335-V337 PolarHBondContact O-N 2.77Å; V337-N339 PolarHBondContact O-N 3.31Å; V337-F340 PolarHBondContact O-N 3.35Å; V337-W341 VanDerWaalsContact O-CB 3.27Å; V337-W341 WeakPolarHBondContact O-CB 3.34Å; V337-W341 PolarHBondContact O-N 2.85Å; V337-A365 HydrophobicContact CG1-CB 4.12Å; V337-L366 HydrophobicContact CG1-CD2 3.85Å; V337-L366 HydrophobicContact CG1-CG 4.07Å; V337-A369 HydrophobicContact CG2-CB 3.36Å; V337-I426 HydrophobicContact CG1-CD1 4Å
338	R	98	Very high	96.7	Very high	32 Å²	32	29.6 Å²	29.6	12%	0.121	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-45.7	177.8	-175.2	-150	75.8	117.4	-1.4	111.7	L334 T335 C336 W341 L342 E425 I426	L334-R338 PolarHBondContact O-N 2.84Å; T335-R338 WeakPolarHBondContact O-CB 3.31Å; T335-R338 PolarHBondContact O-N 2.77Å; C336-R338 PolarHBondContact O-N 2.86Å; R338-W341 WeakPolarHBondContact O-CB 3.45Å; R338-W341 PolarHBondContact O-N 2.82Å; R338-L342 HydrophobicContact CG-CD1 4.11Å; R338-L342 VanDerWaalsContact O-CG 3.32Å; R338-L342 WeakPolarHBondContact O-CG 3.37Å; R338-L342 PolarHBondContact O-N 3.34Å; R338-E425 WeakPolarHBondContact CD-OE2 3.44Å; R338-E425 IonicContact CZ-OE1 3.07Å; R338-E425 IonicContact NE-OE1 2.57Å; R338-E425 IonicContact NE-OE2 3.75Å; R338-E425 IonicContact NH1-OE1 2.74Å; R338-E425 PolarHBondContact NH1-OE1 3.37Å; R338-E425 IonicContact NH1-OE2 3.62Å; R338-I426 HydrophobicContact CB-CD1 3.76Å; R338-I426 HydrophobicContact CB-CG1 4.04Å; R338-I426 HydrophobicContact CG-CD1 4.27Å; R338-I426 HydrophobicContact CG-CG1 4.1Å
339	N	98.1	Very high	96.4	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-48.1	179	-68.6	-15.7	0	0	0	111.3	A266 L268 T335 C336 V337 W341 L342 E343	A266-N339 WeakPolarHBondContact O-CB 3.33Å; A266-N339 PolarHBondContact O-ND2 3.21Å; L268-N339 HydrophobicContact CD1-CB 4.33Å; L268-N339 HydrophobicContact CD2-CB 4.33Å; L268-N339 HydrophobicContact CG-CB 4.12Å; T335-N339 PolarHBondContact O-N 2.81Å; T335-N339 PolarHBondContact O-ND2 2.98Å; T335-N339 PolarHBondContact O-OD1 3.09Å; C336-N339 PolarHBondContact O-N 2.84Å; V337-N339 PolarHBondContact O-N 3.31Å; N339-W341 VanDerWaalsContact C-N 3.3Å; N339-W341 PolarHBondContact O-N 3.17Å; N339-L342 PolarHBondContact O-N 3.06Å; N339-E343 WeakPolarHBondContact O-CB 3.3Å; N339-E343 WeakPolarHBondContact O-CG 3.49Å; N339-E343 PolarHBondContact O-N 3.37Å
340	F	98.4	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-40.4	177.2	-172.6	-109.9	0	0	0	111.7	L264 A266 D280 V287 L289 C336 V337 V344 T345 Y364 A365 A368	L264-F340 HydrophobicContact CD2-CD2 4.31Å; L264-F340 HydrophobicContact CD2-CE2 4.21Å; A266-F340 HydrophobicContact CB-CB 4.21Å; D280-F340 HydrophobicContact CB-CE2 4.11Å; D280-F340 HydrophobicContact CB-CZ 3.98Å; V287-F340 HydrophobicContact CB-CZ 4.24Å; V287-F340 HydrophobicContact CG1-CE2 4.04Å; V287-F340 HydrophobicContact CG1-CZ 4.05Å; L289-F340 HydrophobicContact CD1-CB 3.92Å; L289-F340 HydrophobicContact CD1-CD1 4.4Å; L289-F340 HydrophobicContact CD1-CG 4.28Å; L289-F340 HydrophobicContact CD2-CB 4.22Å; L289-F340 HydrophobicContact CD2-CD2 4.25Å; L289-F340 HydrophobicContact CD2-CG 4.15Å; C336-F340 WeakPolarHBondContact O-CB 3.34Å; C336-F340 PolarHBondContact O-N 2.91Å; V337-F340 PolarHBondContact O-N 3.35Å; F340-V344 HydrophobicContact CD2-CB 4.03Å; F340-V344 HydrophobicContact CD2-CG2 3.61Å; F340-V344 HydrophobicContact CE2-CB 3.92Å; F340-V344 HydrophobicContact CE2-CG1 3.89Å; F340-V344 HydrophobicContact CE2-CG2 3.72Å; F340-V344 HydrophobicContact CG-CG2 4.4Å; F340-V344 HydrophobicContact CZ-CB 4.31Å; F340-V344 HydrophobicContact CZ-CG1 4.05Å; F340-V344 WeakPolarHBondContact O-CA 3.39Å; F340-V344 WeakPolarHBondContact O-CB 3.27Å; F340-V344 PolarHBondContact O-N 3.23Å; F340-T345 HydrophobicContact CD1-CG2 3.77Å; F340-T345 HydrophobicContact CE1-CG2 3.43Å; F340-T345 VanDerWaalsContact CE1-CG2 3.43Å; F340-T345 HydrophobicContact CZ-CG2 4.09Å; F340-T345 PolarHBondContact O-N 3.32Å; F340-Y364 HydrophobicContact CE1-CD1 4.17Å; F340-Y364 HydrophobicContact CE1-CE1 4.08Å; F340-Y364 HydrophobicContact CZ-CE1 4.34Å; F340-A365 HydrophobicContact CD1-CB 3.98Å; F340-A368 HydrophobicContact CD1-CB 4.29Å; F340-A368 HydrophobicContact CE1-CB 4.19Å
341	W	98	Very high	95.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	20%	0.198	C	C	.	.	I	π-helix	trans	-58.5	-53.6	174.3	170.8	42.8	0	0	0	112.1	V337 R338 N339 T345 R346 E358 A360 L362 A365 P415 P424 I426	V337-W341 VanDerWaalsContact O-CB 3.27Å; V337-W341 WeakPolarHBondContact O-CB 3.34Å; V337-W341 PolarHBondContact O-N 2.85Å; R338-W341 WeakPolarHBondContact O-CB 3.45Å; R338-W341 PolarHBondContact O-N 2.82Å; N339-W341 VanDerWaalsContact C-N 3.3Å; N339-W341 PolarHBondContact O-N 3.17Å; W341-T345 WeakPolarHBondContact CA-OG1 3.2Å; W341-T345 PolarHBondContact O-N 3.15Å; W341-R346 WeakPolarHBondContact O-CB 3.29Å; W341-R346 PolarHBondContact O-N 3.04Å; W341-E358 VanDerWaalsContact CZ2-O 3.26Å; W341-E358 WeakPolarHBondContact CZ2-O 3.27Å; W341-A360 PolarHBondContact NE1-O 3.04Å; W341-L362 HydrophobicContact CB-CD1 4.31Å; W341-L362 HydrophobicContact CD2-CB 4.34Å; W341-L362 HydrophobicContact CD2-CD1 3.86Å; W341-L362 HydrophobicContact CE3-CD1 4.12Å; W341-L362 HydrophobicContact CG-CB 4.35Å; W341-L362 HydrophobicContact CG-CD1 3.94Å; W341-L362 HydrophobicContact CZ2-CB 4.45Å; W341-L362 HydrophobicContact CZ2-CD2 4.46Å; W341-A365 HydrophobicContact CB-CB 3.65Å; W341-A365 HydrophobicContact CG-CB 4.49Å; W341-P415 HydrophobicContact CH2-CB 4.19Å; W341-P424 HydrophobicContact CH2-CB 4.28Å; W341-P424 HydrophobicContact CH2-CG 3.82Å; W341-P424 HydrophobicContact CZ3-CB 4.31Å; W341-P424 HydrophobicContact CZ3-CG 3.86Å; W341-I426 HydrophobicContact CE3-CD1 4.04Å; W341-I426 HydrophobicContact CE3-CG1 4.16Å; W341-I426 HydrophobicContact CZ3-CG1 4.13Å
342	L	96.6	Very high	95	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.12	21%	0.206	C	C	.	.	I	π-helix	trans	-70.3	-35.9	-174.9	-67	177.2	0	0	0	113.7	R338 N339 K423 P424	R338-L342 HydrophobicContact CG-CD1 4.11Å; R338-L342 VanDerWaalsContact O-CG 3.32Å; R338-L342 WeakPolarHBondContact O-CG 3.37Å; R338-L342 PolarHBondContact O-N 3.34Å; N339-L342 PolarHBondContact O-N 3.06Å; L342-K423 HydrophobicContact CD1-CB 4.02Å; L342-K423 HydrophobicContact CD1-CD 4.25Å; L342-P424 HydrophobicContact CD2-CG 3.7Å
343	E	96.8	Very high	94.5	Very high	37 Å²	37	45.4 Å²	45.4	17%	0.173	24%	0.238	C	C	.	.	I	π-helix	trans	-93.4	-17.4	-173.3	-61.4	-60.1	152.6	0	0	113.4	L268 P273 L276 R277 N339 K423	L268-E343 HydrophobicContact CD2-CG 4.35Å; P273-E343 HydrophobicContact CB-CB 4.17Å; P273-E343 HydrophobicContact CB-CG 3.99Å; P273-E343 WeakPolarHBondContact CB-OE2 3.45Å; P273-E343 HydrophobicContact CG-CG 4.34Å; L276-E343 HydrophobicContact CD1-CB 4.45Å; R277-E343 VanDerWaalsContact CD-O 3.24Å; R277-E343 WeakPolarHBondContact CD-O 3.41Å; R277-E343 WeakPolarHBondContact CG-O 3.04Å; R277-E343 PolarHBondContact NH1-O 2.86Å; R277-E343 IonicContact NH1-OE2 3.41Å; N339-E343 WeakPolarHBondContact O-CB 3.3Å; N339-E343 WeakPolarHBondContact O-CG 3.49Å; N339-E343 PolarHBondContact O-N 3.37Å; E343-K423 IonicContact OE1-NZ 2.63Å; E343-K423 PolarHBondContact OE1-NZ 3.15Å
344	V	97.3	Very high	94	Very high	11 Å²	11	47.9 Å²	47.9	7%	0.067	26%	0.255	C	S	.	.	I	π-helix	trans	-126.9	-61.3	-173	-170.6	0	0	0	0	112.6	L276 R277 D280 F340 K348	L276-V344 HydrophobicContact CB-CG2 3.56Å; R277-V344 HydrophobicContact CG-CB 4.43Å; R277-V344 HydrophobicContact CG-CG1 4.5Å; R277-V344 HydrophobicContact CG-CG2 4Å; D280-V344 HydrophobicContact CB-CG1 3.57Å; F340-V344 HydrophobicContact CD2-CB 4.03Å; F340-V344 HydrophobicContact CD2-CG2 3.61Å; F340-V344 HydrophobicContact CE2-CB 3.92Å; F340-V344 HydrophobicContact CE2-CG1 3.89Å; F340-V344 HydrophobicContact CE2-CG2 3.72Å; F340-V344 HydrophobicContact CG-CG2 4.4Å; F340-V344 HydrophobicContact CZ-CB 4.31Å; F340-V344 HydrophobicContact CZ-CG1 4.05Å; F340-V344 WeakPolarHBondContact O-CA 3.39Å; F340-V344 WeakPolarHBondContact O-CB 3.27Å; F340-V344 PolarHBondContact O-N 3.23Å; V344-K348 WeakPolarHBondContact O-CB 3.32Å
345	T	96.7	Very high	93.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-90.3	-28.7	-160	71.3	0	0	0	0	113.6	F340 W341 E347 K348 I349 G361 Y364 A365	F340-T345 HydrophobicContact CD1-CG2 3.77Å; F340-T345 HydrophobicContact CE1-CG2 3.43Å; F340-T345 VanDerWaalsContact CE1-CG2 3.43Å; F340-T345 HydrophobicContact CZ-CG2 4.09Å; F340-T345 PolarHBondContact O-N 3.32Å; W341-T345 WeakPolarHBondContact CA-OG1 3.2Å; W341-T345 PolarHBondContact O-N 3.15Å; T345-E347 PolarHBondContact O-N 3.19Å; T345-K348 PolarHBondContact O-N 3.09Å; T345-I349 PolarHBondContact O-N 2.91Å; T345-G361 WeakPolarHBondContact CB-O 3.3Å; T345-G361 VanDerWaalsContact OG1-C 3.31Å; T345-G361 PolarHBondContact OG1-O 2.81Å; T345-Y364 HydrophobicContact CG2-CD1 3.41Å; T345-Y364 VanDerWaalsContact CG2-CD1 3.41Å; T345-Y364 HydrophobicContact CG2-CE1 3.9Å; T345-Y364 HydrophobicContact CG2-CG 4.36Å; T345-A365 HydrophobicContact CG2-CB 4.39Å
346	R	92.6	Very high	93.5	Very high	77 Å²	77	47.4 Å²	47.4	29%	0.291	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42.4	-175.6	-176.1	177	-179.4	-170.5	-1.8	113.8	W341 A360	W341-R346 WeakPolarHBondContact O-CB 3.29Å; W341-R346 PolarHBondContact O-N 3.04Å; R346-A360 WeakPolarHBondContact CA-O 3.24Å
347	E	88.7	Confident	93.2	Very high	164 Å²	164	55.6 Å²	55.6	77%	0.766	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.8	-179.6	-60.3	-58.9	137.8	0	0	112.6	T345	T345-E347 PolarHBondContact O-N 3.19Å
348	K	88.9	Confident	92.9	Very high	108 Å²	108	61 Å²	61	47%	0.47	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-32.4	-176.9	-175	-179	177.6	-175.1	0	112.6	D280 V344 T345	D280-K348 WeakPolarHBondContact OD2-CD 3.37Å; D280-K348 IonicContact OD2-NZ 2.73Å; D280-K348 PolarHBondContact OD2-NZ 3.49Å; V344-K348 WeakPolarHBondContact O-CB 3.32Å; T345-K348 PolarHBondContact O-N 3.09Å
349	I	90.6	Very high	92.7	Very high	38 Å²	38	60.7 Å²	60.7	20%	0.195	31%	0.313	C	S	.	.	S	Bend	trans	-118.8	122.3	-169.6	-61.4	174.5	0	0	0	109.1	T345 A360 Y364	T345-I349 PolarHBondContact O-N 2.91Å; I349-A360 WeakPolarHBondContact O-CB 3.18Å; I349-Y364 VanDerWaalsContact CD1-CB 3.41Å; I349-Y364 HydrophobicContact CD1-CD1 3.96Å; I349-Y364 HydrophobicContact CD1-CD2 3.47Å; I349-Y364 VanDerWaalsContact CD1-CD2 3.47Å; I349-Y364 HydrophobicContact CD1-CE2 4.14Å; I349-Y364 HydrophobicContact CD1-CG 3.34Å
350	N	89.1	Confident	92.6	Very high	155 Å²	155	61 Å²	61	83%	0.829	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-68.8	142.9	175.7	-68.2	-50.2	0	0	0	111.4
351	A	85.9	Confident	92.5	Very high	33 Å²	33	61.3 Å²	61.3	27%	0.273	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-66.4	140.6	168.8	0	0	0	0	0	110.8	V355 A360	A351-V355 HydrophobicContact CB-CB 4.44Å; A351-A360 HydrophobicContact CB-CB 3.93Å
352	E	87.9	Confident	92.5	Very high	72 Å²	72	61.2 Å²	61.2	34%	0.336	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.7	156	167.2	-65.2	-178.4	-169.4	0	0	110.9	H26 S354 V355	H26-E352 VanDerWaalsContact CB-OE1 3.3Å; H26-E352 WeakPolarHBondContact CB-OE1 3.24Å; H26-E352 IonicContact CG-OE1 3.84Å; H26-E352 IonicContact ND1-OE1 3.32Å; H26-E352 PolarHBondContact ND1-OE1 2.89Å; E352-S354 PolarHBondContact O-N 3.49Å; E352-V355 HydrophobicContact CB-CG2 4.05Å; E352-V355 PolarHBondContact O-N 3.37Å
353	S	87.3	Confident	92.5	Very high	135 Å²	135	60.3 Å²	60.3	94%	0.944	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31	-173.6	64	0	0	0	0	115
354	S	90.1	Very high	92.6	Very high	52 Å²	52	59.5 Å²	59.5	36%	0.364	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.3	179	52.3	0	0	0	0	114.3	Y20 E352	Y20-S354 VanDerWaalsContact CE1-O 3.27Å; Y20-S354 WeakPolarHBondContact CE1-O 3.21Å; Y20-S354 PolarHBondContact OH-O 3.3Å; Y20-S354 VanDerWaalsContact OH-O 3.1Å; E352-S354 PolarHBondContact O-N 3.49Å
355	V	93.3	Very high	92.6	Very high	11 Å²	11	59 Å²	59	7%	0.067	31%	0.307	C	S	.	.	S	Bend	trans	-98.9	136.8	-173.9	-179	0	0	0	0	109.3	Y20 L27 A351 E352 K357 W359	Y20-V355 HydrophobicContact CD1-CG2 4.12Å; Y20-V355 HydrophobicContact CE1-CG2 4.17Å; L27-V355 HydrophobicContact CB-CG1 4.15Å; L27-V355 HydrophobicContact CB-CG2 3.83Å; L27-V355 HydrophobicContact CD1-CG1 3.9Å; L27-V355 WeakPolarHBondContact O-CG2 3.43Å; A351-V355 HydrophobicContact CB-CB 4.44Å; E352-V355 HydrophobicContact CB-CG2 4.05Å; E352-V355 PolarHBondContact O-N 3.37Å; V355-K357 PolarHBondContact O-N 2.9Å; V355-W359 HydrophobicContact CG1-CB 4.06Å
356	P	92.3	Very high	92.7	Very high	40 Å²	40	59 Å²	59	26%	0.26	31%	0.307	S	S	.	.			trans	-51.6	132	171.8	-26.7	35.3	0	0	0	111.1	E358 W359	P356-E358 PolarHBondContact O-N 3.25Å; P356-E358 VanDerWaalsContact O-N 3.12Å; P356-W359 HydrophobicContact CB-CD2 4.07Å; P356-W359 HydrophobicContact CB-CE3 4.42Å; P356-W359 HydrophobicContact CB-CG 4.16Å; P356-W359 HydrophobicContact CG-CD2 3.95Å; P356-W359 HydrophobicContact CG-CE3 3.85Å; P356-W359 HydrophobicContact CG-CH2 4.41Å; P356-W359 HydrophobicContact CG-CZ3 4.1Å; P356-W359 PolarHBondContact O-N 3.25Å
357	K	91.9	Very high	93	Very high	174 Å²	174	55.3 Å²	55.3	76%	0.757	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-58.3	-30.7	-177.1	-71.4	-175.3	178.1	-178.4	0	112.1	V355 W359 A360	V355-K357 PolarHBondContact O-N 2.9Å; K357-W359 PolarHBondContact O-N 2.99Å; K357-A360 VanDerWaalsContact O-CB 3.26Å; K357-A360 WeakPolarHBondContact O-CB 3.46Å; K357-A360 PolarHBondContact O-N 3.39Å
358	E	91.5	Very high	93.5	Very high	114 Å²	114	47.5 Å²	47.5	53%	0.533	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-64.4	-22.5	178.2	-58.9	73.7	-160.1	0	0	112.2	W341 P356	W341-E358 VanDerWaalsContact CZ2-O 3.26Å; W341-E358 WeakPolarHBondContact CZ2-O 3.27Å; P356-E358 PolarHBondContact O-N 3.25Å; P356-E358 VanDerWaalsContact O-N 3.12Å
359	W	94.5	Very high	93.9	Very high	25 Å²	25	42.3 Å²	42.3	10%	0.095	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-97.6	9.7	-178.6	-58.5	-4.5	0	0	0	113.5	Y20 L27 G61 I63 V355 P356 K357 G361 L362 P415	Y20-W359 HydrophobicContact CD2-CE3 4.41Å; Y20-W359 AromaticContact CD2-CZ3 3.64Å; Y20-W359 HydrophobicContact CD2-CZ3 3.64Å; Y20-W359 HydrophobicContact CE2-CH2 4.48Å; Y20-W359 AromaticContact CE2-CZ3 3.71Å; Y20-W359 HydrophobicContact CE2-CZ3 3.71Å; Y20-W359 HydrophobicContact CG-CZ3 4.47Å; L27-W359 HydrophobicContact CD1-CB 4.17Å; L27-W359 HydrophobicContact CD1-CE3 4.36Å; G61-W359 VanDerWaalsContact O-CH2 3.25Å; G61-W359 WeakPolarHBondContact O-CH2 3.33Å; I63-W359 HydrophobicContact CD1-CD2 4.31Å; I63-W359 HydrophobicContact CD1-CE3 3.81Å; I63-W359 HydrophobicContact CD1-CZ3 4.04Å; I63-W359 HydrophobicContact CG1-CE3 4.11Å; I63-W359 HydrophobicContact CG1-CZ3 3.89Å; V355-W359 HydrophobicContact CG1-CB 4.06Å; P356-W359 HydrophobicContact CB-CD2 4.07Å; P356-W359 HydrophobicContact CB-CE3 4.42Å; P356-W359 HydrophobicContact CB-CG 4.16Å; P356-W359 HydrophobicContact CG-CD2 3.95Å; P356-W359 HydrophobicContact CG-CE3 3.85Å; P356-W359 HydrophobicContact CG-CH2 4.41Å; P356-W359 HydrophobicContact CG-CZ3 4.1Å; P356-W359 PolarHBondContact O-N 3.25Å; K357-W359 PolarHBondContact O-N 2.99Å; W359-G361 PolarHBondContact O-N 3.23Å; W359-L362 VanDerWaalsContact O-CB 3.24Å; W359-L362 WeakPolarHBondContact O-CB 3.48Å; W359-L362 PolarHBondContact O-N 2.81Å; W359-L362 VanDerWaalsContact O-N 3.11Å; W359-P415 HydrophobicContact CD2-CG 4.12Å; W359-P415 HydrophobicContact CG-CG 4.26Å; W359-P415 HydrophobicContact CZ2-CB 4.48Å; W359-P415 HydrophobicContact CZ2-CG 4.19Å
360	A	95.3	Very high	94.3	Very high	10 Å²	10	40.5 Å²	40.5	8%	0.083	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	135.8	171.7	0	0	0	0	0	111	W341 R346 I349 A351 K357 L362	W341-A360 PolarHBondContact NE1-O 3.04Å; R346-A360 WeakPolarHBondContact CA-O 3.24Å; I349-A360 WeakPolarHBondContact O-CB 3.18Å; A351-A360 HydrophobicContact CB-CB 3.93Å; K357-A360 VanDerWaalsContact O-CB 3.26Å; K357-A360 WeakPolarHBondContact O-CB 3.46Å; K357-A360 PolarHBondContact O-N 3.39Å; A360-L362 PolarHBondContact O-N 3.02Å; A360-L362 VanDerWaalsContact O-N 3.1Å
361	G	96.7	Very high	94.7	Very high	7 Å²	7	34.3 Å²	34.3	7%	0.072	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	-3.8	-179.7	0	0	0	0	0	117.3	T345 W359 Y364 A365	T345-G361 WeakPolarHBondContact CB-O 3.3Å; T345-G361 VanDerWaalsContact OG1-C 3.31Å; T345-G361 PolarHBondContact OG1-O 2.81Å; W359-G361 PolarHBondContact O-N 3.23Å; G361-Y364 PolarHBondContact O-N 2.9Å; G361-A365 PolarHBondContact O-N 2.99Å; G361-A365 VanDerWaalsContact O-N 3.16Å
362	L	97.6	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.5	-37.9	-177	179.2	55	0	0	0	112.8	L27 I63 W341 W359 A360 Y364 A365 L366 P415 I426	L27-L362 HydrophobicContact CD1-CB 4.23Å; I63-L362 HydrophobicContact CD1-CD2 3.39Å; I63-L362 HydrophobicContact CD1-CG 4.27Å; W341-L362 HydrophobicContact CB-CD1 4.31Å; W341-L362 HydrophobicContact CD2-CB 4.34Å; W341-L362 HydrophobicContact CD2-CD1 3.86Å; W341-L362 HydrophobicContact CE3-CD1 4.12Å; W341-L362 HydrophobicContact CG-CB 4.35Å; W341-L362 HydrophobicContact CG-CD1 3.94Å; W341-L362 HydrophobicContact CZ2-CB 4.45Å; W341-L362 HydrophobicContact CZ2-CD2 4.46Å; W359-L362 VanDerWaalsContact O-CB 3.24Å; W359-L362 WeakPolarHBondContact O-CB 3.48Å; W359-L362 PolarHBondContact O-N 2.81Å; W359-L362 VanDerWaalsContact O-N 3.11Å; A360-L362 PolarHBondContact O-N 3.02Å; A360-L362 VanDerWaalsContact O-N 3.1Å; L362-Y364 VanDerWaalsContact C-N 3.29Å; L362-Y364 PolarHBondContact O-N 3.39Å; L362-A365 PolarHBondContact O-N 3.28Å; L362-L366 HydrophobicContact CD1-CD1 4.1Å; L362-L366 HydrophobicContact CD1-CG 4.2Å; L362-L366 HydrophobicContact CG-CD1 3.92Å; L362-L366 WeakPolarHBondContact O-CG 3.38Å; L362-L366 PolarHBondContact O-N 3.28Å; L362-P415 HydrophobicContact CD2-CG 3.43Å; L362-P415 VanDerWaalsContact CD2-CG 3.43Å; L362-I426 HydrophobicContact CD1-CD1 3.65Å
363	G	97.8	Very high	95.8	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-56.8	-43.5	173.9	0	0	0	0	0	112.3	E25 A365 L366 A367	E25-G363 CarbonylContact O-C 3.46Å; G363-A365 VanDerWaalsContact C-N 3.34Å; G363-A365 PolarHBondContact O-N 3.01Å; G363-L366 PolarHBondContact O-N 3.1Å; G363-A367 PolarHBondContact O-N 3.5Å
364	Y	98	Very high	96.3	Very high	19 Å²	19	23.2 Å²	23.2	8%	0.075	12%	0.12	C	C	.	.	H	α-helix	trans	-67.6	-34.5	178.8	-175.2	-76.7	0	0	0	112.3	E25 D280 G285 F340 T345 I349 G361 L362 A368 R372	E25-Y364 HydrophobicContact CB-CD2 4.02Å; E25-Y364 HydrophobicContact CG-CD2 4.45Å; E25-Y364 WeakPolarHBondContact O-CA 3.45Å; E25-Y364 PolarHBondContact O-N 2.84Å; E25-Y364 VanDerWaalsContact OE2-CD2 3.25Å; E25-Y364 WeakPolarHBondContact OE2-CD2 3.5Å; E25-Y364 VanDerWaalsContact OE2-CE2 3.29Å; E25-Y364 WeakPolarHBondContact OE2-CE2 3.49Å; D280-Y364 VanDerWaalsContact OD1-CE1 3.32Å; D280-Y364 WeakPolarHBondContact OD1-CE1 3.41Å; D280-Y364 PolarHBondContact OD1-OH 2.82Å; G285-Y364 PolarHBondContact N-OH 2.98Å; F340-Y364 HydrophobicContact CE1-CD1 4.17Å; F340-Y364 HydrophobicContact CE1-CE1 4.08Å; F340-Y364 HydrophobicContact CZ-CE1 4.34Å; T345-Y364 HydrophobicContact CG2-CD1 3.41Å; T345-Y364 VanDerWaalsContact CG2-CD1 3.41Å; T345-Y364 HydrophobicContact CG2-CE1 3.9Å; T345-Y364 HydrophobicContact CG2-CG 4.36Å; I349-Y364 VanDerWaalsContact CD1-CB 3.41Å; I349-Y364 HydrophobicContact CD1-CD1 3.96Å; I349-Y364 HydrophobicContact CD1-CD2 3.47Å; I349-Y364 VanDerWaalsContact CD1-CD2 3.47Å; I349-Y364 HydrophobicContact CD1-CE2 4.14Å; I349-Y364 HydrophobicContact CD1-CG 3.34Å; G361-Y364 PolarHBondContact O-N 2.9Å; L362-Y364 VanDerWaalsContact C-N 3.29Å; L362-Y364 PolarHBondContact O-N 3.39Å; Y364-A368 PolarHBondContact O-N 3.39Å; Y364-R372 VanDerWaalsContact CD1-NH2 3.34Å; Y364-R372 VanDerWaalsContact CE1-NH2 3.31Å; Y364-R372 VanDerWaalsContact CG-NH2 3.34Å; Y364-R372 VanDerWaalsContact CZ-NH2 3.25Å; Y364-R372 PolarHBondContact O-NH1 2.95Å; Y364-R372 PolarHBondContact O-NH2 2.88Å
365	A	98.5	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.3	-39.4	174.4	0	0	0	0	0	112	V337 F340 W341 T345 G361 L362 G363 A368	V337-A365 HydrophobicContact CG1-CB 4.12Å; F340-A365 HydrophobicContact CD1-CB 3.98Å; W341-A365 HydrophobicContact CB-CB 3.65Å; W341-A365 HydrophobicContact CG-CB 4.49Å; T345-A365 HydrophobicContact CG2-CB 4.39Å; G361-A365 PolarHBondContact O-N 2.99Å; G361-A365 VanDerWaalsContact O-N 3.16Å; L362-A365 PolarHBondContact O-N 3.28Å; G363-A365 VanDerWaalsContact C-N 3.34Å; G363-A365 PolarHBondContact O-N 3.01Å; A365-A368 WeakPolarHBondContact O-CB 3.32Å; A365-A368 PolarHBondContact O-N 3.43Å
366	L	98.7	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-39.8	174.8	-73.2	159.3	0	0	0	111.7	V22 I63 V337 L362 G363 A368 A369 S370 I413	V22-L366 HydrophobicContact CG1-CB 4.4Å; V22-L366 HydrophobicContact CG2-CB 4.06Å; V22-L366 HydrophobicContact CG2-CD1 3.57Å; V22-L366 HydrophobicContact CG2-CG 4.43Å; I63-L366 HydrophobicContact CG2-CD1 4.09Å; V337-L366 HydrophobicContact CG1-CD2 3.85Å; V337-L366 HydrophobicContact CG1-CG 4.07Å; L362-L366 HydrophobicContact CD1-CD1 4.1Å; L362-L366 HydrophobicContact CD1-CG 4.2Å; L362-L366 HydrophobicContact CG-CD1 3.92Å; L362-L366 WeakPolarHBondContact O-CG 3.38Å; L362-L366 PolarHBondContact O-N 3.28Å; G363-L366 PolarHBondContact O-N 3.1Å; L366-A368 PolarHBondContact O-N 3.29Å; L366-A369 PolarHBondContact O-N 3.49Å; L366-S370 PolarHBondContact O-N 2.62Å; L366-S370 VanDerWaalsContact O-N 3.16Å; L366-S370 PolarHBondContact O-OG 3.14Å; L366-I413 HydrophobicContact CD1-CD1 3.71Å; L366-I413 HydrophobicContact CD2-CD1 3.6Å; L366-I413 HydrophobicContact CG-CD1 4.26Å
367	A	98.4	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-32.5	174.5	0	0	0	0	0	112.2	E24 E25 G363 A369 S370 T371 R372	E24-A367 WeakPolarHBondContact O-CB 3.18Å; E25-A367 HydrophobicContact CB-CB 4.44Å; E25-A367 HydrophobicContact CG-CB 4.11Å; G363-A367 PolarHBondContact O-N 3.5Å; A367-A369 PolarHBondContact O-N 3.08Å; A367-S370 PolarHBondContact O-N 3.02Å; A367-T371 PolarHBondContact O-N 3.45Å; A367-R372 WeakPolarHBondContact O-CB 3.32Å; A367-R372 PolarHBondContact O-N 3.3Å
368	A	98.6	Very high	97.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-27.1	176.3	0	0	0	0	0	113.6	V287 T288 L289 F340 Y364 A365 L366 R372 P373	V287-A368 WeakPolarHBondContact O-CB 3.29Å; T288-A368 CarbonylContact C-O 3.52Å; T288-A368 WeakPolarHBondContact CA-O 3.48Å; L289-A368 HydrophobicContact CD1-CB 3.91Å; L289-A368 HydrophobicContact CG-CB 3.7Å; L289-A368 PolarHBondContact N-O 3.47Å; F340-A368 HydrophobicContact CD1-CB 4.29Å; F340-A368 HydrophobicContact CE1-CB 4.19Å; Y364-A368 PolarHBondContact O-N 3.39Å; A365-A368 WeakPolarHBondContact O-CB 3.32Å; A365-A368 PolarHBondContact O-N 3.43Å; L366-A368 PolarHBondContact O-N 3.29Å; A368-R372 VanDerWaalsContact CA-NH1 3.28Å; A368-P373 WeakPolarHBondContact O-CD 3.49Å
369	A	98.8	Very high	97.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	7	-179.3	0	0	0	0	0	113.2	L68 I69 L289 L333 V337 L366 A367	L68-A369 CarbonylContact C-O 3.5Å; L68-A369 WeakPolarHBondContact CA-O 3.38Å; L68-A369 HydrophobicContact CD2-CB 3.96Å; I69-A369 PolarHBondContact N-O 3.23Å; L289-A369 HydrophobicContact CB-CB 4.28Å; L289-A369 HydrophobicContact CD1-CB 4.45Å; L333-A369 HydrophobicContact CD1-CB 4.18Å; L333-A369 HydrophobicContact CD2-CB 4.07Å; L333-A369 HydrophobicContact CG-CB 3.96Å; V337-A369 HydrophobicContact CG2-CB 3.36Å; L366-A369 PolarHBondContact O-N 3.49Å; A367-A369 PolarHBondContact O-N 3.08Å
370	S	98.5	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-73.7	-177.5	58.1	0	0	0	0	112.2	L366 A367 P373 A374	L366-S370 PolarHBondContact O-N 2.62Å; L366-S370 VanDerWaalsContact O-N 3.16Å; L366-S370 PolarHBondContact O-OG 3.14Å; A367-S370 PolarHBondContact O-N 3.02Å; S370-P373 WeakPolarHBondContact O-CD 3.38Å; S370-P373 WeakPolarHBondContact O-CG 3.41Å; S370-A374 WeakPolarHBondContact O-CB 3.41Å; S370-A374 PolarHBondContact O-N 3.27Å; S370-A374 VanDerWaalsContact O-N 3.17Å
371	T	98	Very high	96.5	Very high	24 Å²	24	20 Å²	20	15%	0.147	11%	0.109	C	C	.	.	H	α-helix	trans	-69.2	-39.7	-176.2	-56.1	0	0	0	0	113.3	A367 A374 S375 L380 G400	A367-T371 PolarHBondContact O-N 3.45Å; T371-A374 WeakPolarHBondContact O-CB 3.43Å; T371-A374 PolarHBondContact O-N 3.45Å; T371-S375 WeakPolarHBondContact O-CB 3.31Å; T371-S375 PolarHBondContact O-N 2.96Å; T371-L380 HydrophobicContact CG2-CD1 4.27Å; T371-L380 HydrophobicContact CG2-CD2 4.26Å; T371-G400 VanDerWaalsContact CA-O 3.24Å; T371-G400 WeakPolarHBondContact CA-O 3.24Å; T371-G400 WeakPolarHBondContact CB-O 3.4Å; T371-G400 PolarHBondContact OG1-O 3.2Å
372	R	97.8	Very high	95.1	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-69.1	-47.8	179.1	-65	-178.3	-164.5	125.3	5.4	113.4	E25 G285 V287 Y364 A367 A368 A374 S375 V376	E25-R372 VanDerWaalsContact CD-NH2 3.27Å; E25-R372 IonicContact OE1-CZ 2.78Å; E25-R372 IonicContact OE1-NE 3.97Å; E25-R372 PolarHBondContact OE1-NE 2.83Å; E25-R372 VanDerWaalsContact OE1-NE 3.12Å; E25-R372 IonicContact OE1-NH2 3.73Å; E25-R372 PolarHBondContact OE1-NH2 3.08Å; E25-R372 IonicContact OE2-NH2 3.49Å; G285-R372 VanDerWaalsContact O-CD 3.26Å; G285-R372 WeakPolarHBondContact O-CD 3.24Å; G285-R372 PolarHBondContact O-NE 2.88Å; G285-R372 VanDerWaalsContact O-NE 3.1Å; V287-R372 WeakPolarHBondContact O-CD 3.18Å; V287-R372 PolarHBondContact O-NH1 3.43Å; Y364-R372 VanDerWaalsContact CD1-NH2 3.34Å; Y364-R372 VanDerWaalsContact CE1-NH2 3.31Å; Y364-R372 VanDerWaalsContact CG-NH2 3.34Å; Y364-R372 VanDerWaalsContact CZ-NH2 3.25Å; Y364-R372 PolarHBondContact O-NH1 2.95Å; Y364-R372 PolarHBondContact O-NH2 2.88Å; A367-R372 WeakPolarHBondContact O-CB 3.32Å; A367-R372 PolarHBondContact O-N 3.3Å; A368-R372 VanDerWaalsContact CA-NH1 3.28Å; R372-A374 VanDerWaalsContact C-N 3.26Å; R372-A374 PolarHBondContact O-N 3.18Å; R372-S375 WeakPolarHBondContact O-CB 3.4Å; R372-S375 PolarHBondContact O-N 3.46Å; R372-S375 VanDerWaalsContact O-N 3.1Å; R372-V376 WeakPolarHBondContact O-CG2 3.45Å; R372-V376 PolarHBondContact O-N 3.24Å
373	P	98.1	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-35.8	171.6	16.6	-26.5	0	0	0	112.6	I69 V71 T288 A368 S370 V376 L377	I69-P373 HydrophobicContact CB-CB 3.95Å; I69-P373 HydrophobicContact CB-CG 3.91Å; I69-P373 HydrophobicContact CG2-CB 3.99Å; I69-P373 HydrophobicContact CG2-CG 4.5Å; I69-P373 WeakPolarHBondContact O-CG 3.33Å; V71-P373 HydrophobicContact CG1-CB 3.72Å; T288-P373 HydrophobicContact CG2-CB 3.72Å; T288-P373 HydrophobicContact CG2-CG 4.13Å; A368-P373 WeakPolarHBondContact O-CD 3.49Å; S370-P373 WeakPolarHBondContact O-CD 3.38Å; S370-P373 WeakPolarHBondContact O-CG 3.41Å; P373-V376 PolarHBondContact O-N 3.37Å; P373-L377 PolarHBondContact O-N 2.99Å
374	A	97.1	Very high	89.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-42.4	171.4	0	0	0	0	0	112.9	I69 S370 T371 R372 L377 R378 L379 L380 L399	I69-A374 HydrophobicContact CD1-CB 3.79Å; S370-A374 WeakPolarHBondContact O-CB 3.41Å; S370-A374 PolarHBondContact O-N 3.27Å; S370-A374 VanDerWaalsContact O-N 3.17Å; T371-A374 WeakPolarHBondContact O-CB 3.43Å; T371-A374 PolarHBondContact O-N 3.45Å; R372-A374 VanDerWaalsContact C-N 3.26Å; R372-A374 PolarHBondContact O-N 3.18Å; A374-L377 CarbonylContact O-C 3.56Å; A374-L377 PolarHBondContact O-N 3.21Å; A374-R378 PolarHBondContact O-N 2.57Å; A374-L379 HydrophobicContact CB-CB 4.07Å; A374-L379 PolarHBondContact O-N 3.16Å; A374-L380 HydrophobicContact CB-CD2 3.82Å; A374-L380 HydrophobicContact CB-CG 4.07Å; A374-L399 VanDerWaalsContact CB-O 3.3Å; A374-L399 WeakPolarHBondContact CB-O 3.49Å
375	S	95.9	Very high	86.6	Confident	54 Å²	54	33.5 Å²	33.5	38%	0.378	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-47.3	175.8	-173.7	0	0	0	0	111.7	T371 R372 L377 R378	T371-S375 WeakPolarHBondContact O-CB 3.31Å; T371-S375 PolarHBondContact O-N 2.96Å; R372-S375 WeakPolarHBondContact O-CB 3.4Å; R372-S375 PolarHBondContact O-N 3.46Å; R372-S375 VanDerWaalsContact O-N 3.1Å; S375-L377 VanDerWaalsContact C-N 3.28Å; S375-L377 PolarHBondContact O-N 3.3Å; S375-R378 PolarHBondContact O-N 3.12Å
376	V	96.8	Very high	83.3	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-55.4	-45.6	177.5	168.9	0	0	0	0	110.9	M185 V208 F231 H261 R372 P373 R378	M185-V376 HydrophobicContact CE-CG1 3.81Å; V208-V376 HydrophobicContact CG1-CG1 4.14Å; V208-V376 HydrophobicContact CG2-CG1 4.29Å; V208-V376 VanDerWaalsContact CG2-O 3.28Å; V208-V376 WeakPolarHBondContact CG2-O 3.37Å; F231-V376 HydrophobicContact CD2-CB 4.38Å; F231-V376 HydrophobicContact CD2-CG1 3.59Å; F231-V376 HydrophobicContact CD2-CG2 3.82Å; F231-V376 HydrophobicContact CE2-CB 4.44Å; F231-V376 HydrophobicContact CE2-CG1 3.91Å; F231-V376 HydrophobicContact CE2-CG2 3.79Å; F231-V376 HydrophobicContact CG-CG1 4.37Å; H261-V376 HydrophobicContact CB-CG2 3.77Å; H261-V376 VanDerWaalsContact CG-CG2 3.47Å; H261-V376 WeakPolarHBondContact ND1-CG2 3.36Å; R372-V376 WeakPolarHBondContact O-CG2 3.45Å; R372-V376 PolarHBondContact O-N 3.24Å; P373-V376 PolarHBondContact O-N 3.37Å; V376-R378 VanDerWaalsContact C-N 3.28Å; V376-R378 PolarHBondContact O-N 3.47Å
377	L	96.8	Very high	80	Confident	15 Å²	15	45.4 Å²	45.4	8%	0.079	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	7.7	179.8	-63.5	-174.1	0	0	0	114.1	V71 L139 K184 V208 P373 A374 S375 L379	V71-L377 HydrophobicContact CG1-CD1 3.65Å; V71-L377 HydrophobicContact CG1-CG 4.06Å; L139-L377 HydrophobicContact CD1-CD1 3.74Å; K184-L377 HydrophobicContact CB-CD2 4.09Å; V208-L377 HydrophobicContact CG2-CD2 4.13Å; P373-L377 PolarHBondContact O-N 2.99Å; A374-L377 CarbonylContact O-C 3.56Å; A374-L377 PolarHBondContact O-N 3.21Å; S375-L377 VanDerWaalsContact C-N 3.28Å; S375-L377 PolarHBondContact O-N 3.3Å; L377-L379 VanDerWaalsContact C-N 3.31Å; L377-L379 HydrophobicContact CB-CD1 3.85Å; L377-L379 HydrophobicContact CB-CD2 4.39Å; L377-L379 HydrophobicContact CB-CG 3.75Å; L377-L379 HydrophobicContact CD1-CD1 4.28Å; L377-L379 PolarHBondContact O-N 2.91Å
378	R	95.1	Very high	76.8	Confident	127 Å²	127	54.7 Å²	54.7	48%	0.479	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	42.3	179.2	-52.8	175.6	-174.3	168.8	2.1	113.1	A374 S375 V376	A374-R378 PolarHBondContact O-N 2.57Å; S375-R378 PolarHBondContact O-N 3.12Å; V376-R378 VanDerWaalsContact C-N 3.28Å; V376-R378 PolarHBondContact O-N 3.47Å
379	L	94.8	Very high	73.6	Confident	19 Å²	19	62.8 Å²	62.8	10%	0.099	36%	0.36	C	S	.	.			trans	-96.9	-3.2	-177.6	-55	177.1	0	0	0	113.8	I69 L139 A374 L377 P398 L399	I69-L379 HydrophobicContact CD1-CD1 4.29Å; L139-L379 HydrophobicContact CD1-CD1 3.75Å; L139-L379 HydrophobicContact CD2-CD1 3.8Å; L139-L379 HydrophobicContact CG-CD1 4.38Å; A374-L379 HydrophobicContact CB-CB 4.07Å; A374-L379 PolarHBondContact O-N 3.16Å; L377-L379 VanDerWaalsContact C-N 3.31Å; L377-L379 HydrophobicContact CB-CD1 3.85Å; L377-L379 HydrophobicContact CB-CD2 4.39Å; L377-L379 HydrophobicContact CB-CG 3.75Å; L377-L379 HydrophobicContact CD1-CD1 4.28Å; L377-L379 PolarHBondContact O-N 2.91Å; L379-P398 CarbonylContact O-C 3.59Å; L379-P398 WeakPolarHBondContact O-CA 3.26Å; L379-L399 HydrophobicContact CB-CB 4.24Å; L379-L399 PolarHBondContact O-N 2.9Å
380	L	91.3	Very high	70.2	Confident	64 Å²	64	72.9 Å²	72.9	34%	0.335	40%	0.403	S	S	.	.	S	Bend	trans	-80.7	-16.3	-176.9	-66.4	175.9	0	0	0	113.9	T371 A374 L399 T401	T371-L380 HydrophobicContact CG2-CD1 4.27Å; T371-L380 HydrophobicContact CG2-CD2 4.26Å; A374-L380 HydrophobicContact CB-CD2 3.82Å; A374-L380 HydrophobicContact CB-CG 4.07Å; L380-L399 WeakPolarHBondContact CD2-O 3.08Å; L380-T401 HydrophobicContact CD2-CG2 4.25Å
381	S	83.5	Confident	67	Low	72 Å²	72	77.5 Å²	77.5	50%	0.503	44%	0.436	S	S	.	.	S	Bend	trans	-106.7	148.9	171.4	54.5	0	0	0	0	110	N383	S381-N383 PolarHBondContact O-N 2.96Å
382	A	67.7	Low	64	Low	67 Å²	67	81.6 Å²	81.6	55%	0.554	47%	0.465	S	S	*	.			trans	-59.3	117.2	165.7	0	0	0	0	0	107	A384	A382-A384 PolarHBondContact O-N 3.16Å
383	N	51.3	Low	60.9	Low	65 Å²	65	87.5 Å²	87.5	35%	0.348	51%	0.508	S	S	.	.			trans	-66	102.6	172.9	-81.7	-27.1	0	0	0	106.9	S381 S385	S381-N383 PolarHBondContact O-N 2.96Å; N383-S385 PolarHBondContact O-N 2.71Å
384	A	29.7	Very low	58.4	Low	95 Å²	95	95.6 Å²	95.6	79%	0.785	55%	0.546	S	S	*	.			trans	-66.6	77	150.1	0	0	0	0	0	105.6	A382 N386	A382-A384 PolarHBondContact O-N 3.16Å; A384-N386 PolarHBondContact O-N 2.86Å
385	S	34.2	Very low	56.3	Low	85 Å²	85	100.4 Å²	100.4	59%	0.594	58%	0.579	S	S	*	*			trans	-60.5	106.7	-179.1	52.3	0	0	0	0	108.5	N383 S387	N383-S385 PolarHBondContact O-N 2.71Å; S385-S387 VanDerWaalsContact C-N 3.26Å; S385-S387 PolarHBondContact O-N 3.49Å
386	N	28.4	Very low	55.6	Low	171 Å²	171	102.5 Å²	102.5	91%	0.914	59%	0.585	S	S	*	*			trans	-61.5	89.3	156.7	-79.6	-27.3	0	0	0	108.2	A384	A384-N386 PolarHBondContact O-N 2.86Å
387	S	30.2	Very low	55.3	Low	80 Å²	80	104.1 Å²	104.1	56%	0.559	59%	0.593	S	S	*	*			trans	-156.2	129.8	149.6	69.2	0	0	0	0	108.6	S385 H389	S385-S387 VanDerWaalsContact C-N 3.26Å; S385-S387 PolarHBondContact O-N 3.49Å; S387-H389 PolarHBondContact O-N 2.84Å
388	E	29.9	Very low	55.3	Low	195 Å²	195	104.1 Å²	104.1	91%	0.911	59%	0.594	S	S	*	*			trans	-69.7	9.9	179.3	-70.2	-172.7	147.4	0	0	113.5	K390	E388-K390 PolarHBondContact O-N 3.05Å; E388-K390 VanDerWaalsContact O-N 3.14Å
389	H	31.5	Very low	55.3	Low	169 Å²	169	98.7 Å²	98.7	78%	0.782	58%	0.575	S	S	*	*			trans	-88.6	83.9	176.1	-77.3	-66	0	0	0	111.2	S387 S391	S387-H389 PolarHBondContact O-N 2.84Å; H389-S391 PolarHBondContact O-N 3.26Å; H389-S391 VanDerWaalsContact O-N 3.08Å
390	K	27.3	Very low	55.4	Low	212 Å²	212	98 Å²	98	92%	0.922	57%	0.572	S	S	*	*			trans	-63.6	97.2	167.8	-69.4	177.8	178	175.3	0	111	E388	E388-K390 PolarHBondContact O-N 3.05Å; E388-K390 VanDerWaalsContact O-N 3.14Å
391	S	31.7	Very low	55.7	Low	98 Å²	98	96.1 Å²	96.1	69%	0.685	56%	0.563	S	S	*	*	S	Bend	trans	-129.6	114.4	149	64.4	0	0	0	0	108.8	H389	H389-S391 PolarHBondContact O-N 3.26Å; H389-S391 VanDerWaalsContact O-N 3.08Å
392	S	34.4	Very low	56.3	Low	109 Å²	109	92.7 Å²	92.7	76%	0.762	54%	0.54	S	S	*	.			trans	47.3	98.2	177.8	55.2	0	0	0	0	116	E394	S392-E394 VanDerWaalsContact C-N 3.27Å; S392-E394 PolarHBondContact O-N 3.13Å
393	S	32.8	Very low	57.6	Low	131 Å²	131	92.1 Å²	92.1	92%	0.916	53%	0.531	S	S	*	.			trans	-65.7	70.5	174	56.6	0	0	0	0	113.4
394	E	46.3	Very low	59.7	Low	171 Å²	171	92.4 Å²	92.4	80%	0.799	54%	0.539	S	S	*	.			trans	-85.1	112.7	157.8	-75.6	-174.1	173.5	0	0	107.7	S392 I396	S392-E394 VanDerWaalsContact C-N 3.27Å; S392-E394 PolarHBondContact O-N 3.13Å; E394-I396 PolarHBondContact O-N 3.04Å; E394-I396 VanDerWaalsContact O-N 3.11Å
395	S	52.6	Low	62.8	Low	101 Å²	101	89.6 Å²	89.6	71%	0.706	52%	0.518	S	S	*	.			trans	-59.1	116.2	172.2	54.2	0	0	0	0	108.9	L397	S395-L397 PolarHBondContact O-N 3.19Å
396	I	80.9	Confident	65.7	Low	97 Å²	97	85.6 Å²	85.6	50%	0.497	49%	0.49	S	S	.	.			trans	-71.7	104.3	178	-58.1	173.7	0	0	0	107.8	E394	E394-I396 PolarHBondContact O-N 3.04Å; E394-I396 VanDerWaalsContact O-N 3.11Å
397	L	91.5	Very high	69	Low	43 Å²	43	77.6 Å²	77.6	23%	0.225	45%	0.448	C	S	.	.			trans	-66.2	145.5	174.8	-61.6	173.1	0	0	0	110.3	I38 S395	I38-L397 HydrophobicContact CD1-CD1 4.48Å; I38-L397 HydrophobicContact CG1-CD1 3.63Å; I38-L397 HydrophobicContact CG1-CD2 4.31Å; S395-L397 PolarHBondContact O-N 3.19Å
398	P	95.8	Very high	72.1	Confident	16 Å²	16	73.8 Å²	73.8	10%	0.104	42%	0.421	C	S	.	.			trans	-51.7	144.9	171.9	-25	29.3	0	0	0	113.3	L379 T401 S406 S407	L379-P398 CarbonylContact O-C 3.59Å; L379-P398 WeakPolarHBondContact O-CA 3.26Å; P398-T401 HydrophobicContact CB-CG2 4.28Å; P398-S406 WeakPolarHBondContact O-CB 3.43Å; P398-S407 WeakPolarHBondContact O-CB 2.99Å; P398-S407 PolarHBondContact O-N 3.27Å
399	L	95.8	Very high	75.4	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.063	38%	0.379	C	S	.	.			trans	-120.6	159.8	176.1	-66.8	171.3	0	0	0	111	I69 K137 L139 A374 L379 L380 T401 D409	I69-L399 HydrophobicContact CD1-CB 4.35Å; K137-L399 HydrophobicContact CD-CD1 4.1Å; K137-L399 HydrophobicContact CD-CD2 4.33Å; L139-L399 HydrophobicContact CD2-CD1 3.77Å; A374-L399 VanDerWaalsContact CB-O 3.3Å; A374-L399 WeakPolarHBondContact CB-O 3.49Å; L379-L399 HydrophobicContact CB-CB 4.24Å; L379-L399 PolarHBondContact O-N 2.9Å; L380-L399 WeakPolarHBondContact CD2-O 3.08Å; L399-T401 VanDerWaalsContact C-N 3.3Å; L399-T401 PolarHBondContact O-N 3.17Å; L399-D409 HydrophobicContact CD2-CB 4.19Å; L399-D409 VanDerWaalsContact CD2-OD2 3.27Å; L399-D409 WeakPolarHBondContact CD2-OD2 3.47Å
400	G	96.3	Very high	78.5	Confident	5 Å²	5	56.6 Å²	56.6	5%	0.052	34%	0.341	C	S	.	.	S	Bend	trans	73.4	17.6	177.5	0	0	0	0	0	114.7	T371	T371-G400 VanDerWaalsContact CA-O 3.24Å; T371-G400 WeakPolarHBondContact CA-O 3.24Å; T371-G400 WeakPolarHBondContact CB-O 3.4Å; T371-G400 PolarHBondContact OG1-O 3.2Å
401	T	97.1	Very high	81.9	Confident	24 Å²	24	46.5 Å²	46.5	15%	0.147	30%	0.298	C	S	.	.			trans	-142.4	149.1	174.5	-172.7	0	0	0	0	111.2	L380 P398 L399 S403 S406	L380-T401 HydrophobicContact CD2-CG2 4.25Å; P398-T401 HydrophobicContact CB-CG2 4.28Å; L399-T401 VanDerWaalsContact C-N 3.3Å; L399-T401 PolarHBondContact O-N 3.17Å; T401-S403 VanDerWaalsContact C-N 3.31Å; T401-S403 PolarHBondContact OG1-N 3.34Å; T401-S403 PolarHBondContact OG1-OG 3.29Å; T401-S406 PolarHBondContact O-OG 3.14Å
402	L	97.4	Very high	85.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	27%	0.265	C	S	.	.			trans	-91.8	11.8	171.8	-62.6	179.4	0	0	0	112.8	L21 R23 L32 I39 I64 P66 F410	L21-L402 HydrophobicContact CB-CD1 4.03Å; L21-L402 HydrophobicContact CD2-CD1 4.42Å; R23-L402 VanDerWaalsContact CZ-O 3.32Å; R23-L402 PolarHBondContact NH1-O 3.36Å; R23-L402 PolarHBondContact NH2-O 3.1Å; L32-L402 HydrophobicContact CD1-CB 4.3Å; L32-L402 HydrophobicContact CD1-CD2 4.47Å; L32-L402 HydrophobicContact CD2-CD2 4.37Å; I39-L402 HydrophobicContact CD1-CB 4.29Å; I39-L402 HydrophobicContact CD1-CD2 3.84Å; I39-L402 WeakPolarHBondContact CG2-O 3.26Å; I64-L402 HydrophobicContact CB-CD1 4.47Å; I64-L402 HydrophobicContact CG2-CD1 4.13Å; I64-L402 HydrophobicContact CG2-CD2 4.38Å; I64-L402 WeakPolarHBondContact O-CD1 3.4Å; P66-L402 HydrophobicContact CB-CD2 4.46Å; P66-L402 HydrophobicContact CB-CG 4.47Å; P66-L402 HydrophobicContact CG-CD2 4.47Å; P66-L402 HydrophobicContact CG-CG 3.97Å; L402-F410 HydrophobicContact CD2-CB 3.83Å
403	S	95.5	Very high	88.2	Confident	54 Å²	54	36.7 Å²	36.7	38%	0.378	23%	0.229	S	C	.	.	S	Bend	trans	-67.3	150.9	-176.4	-58.9	0	0	0	0	112.4	T401 G405 S406	T401-S403 VanDerWaalsContact C-N 3.31Å; T401-S403 PolarHBondContact OG1-N 3.34Å; T401-S403 PolarHBondContact OG1-OG 3.29Å; S403-G405 PolarHBondContact O-N 2.99Å; S403-S406 WeakPolarHBondContact O-CB 3.48Å; S403-S406 PolarHBondContact O-N 3.41Å; S403-S406 VanDerWaalsContact O-N 3.15Å; S403-S406 PolarHBondContact O-OG 3.08Å
404	S	94.9	Very high	91.2	Very high	72 Å²	72	33.7 Å²	33.7	50%	0.503	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	138.6	176.1	-177.4	0	0	0	0	111.1	I39 D41 S406	I39-S404 CarbonylContact O-C 3.44Å; I39-S404 WeakPolarHBondContact O-CA 3.01Å; D41-S404 PolarHBondContact N-OG 3.26Å; S404-S406 VanDerWaalsContact C-N 3.34Å
405	G	94.6	Very high	93.5	Very high	35 Å²	35	26.1 Å²	26.1	36%	0.361	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-3.3	-176.5	0	0	0	0	0	114.7	I39 S403	I39-G405 PolarHBondContact O-N 2.97Å; S403-G405 PolarHBondContact O-N 2.99Å
406	S	96	Very high	95.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	14%	0.139	C	C	.	.	S	Bend	trans	-85.3	167.3	173.7	74.1	0	0	0	0	112.9	I38 I39 P398 T401 S403 S404	I38-S406 WeakPolarHBondContact CA-O 3.5Å; I39-S406 WeakPolarHBondContact CD1-OG 3.26Å; I39-S406 PolarHBondContact N-O 2.74Å; P398-S406 WeakPolarHBondContact O-CB 3.43Å; T401-S406 PolarHBondContact O-OG 3.14Å; S403-S406 WeakPolarHBondContact O-CB 3.48Å; S403-S406 PolarHBondContact O-N 3.41Å; S403-S406 VanDerWaalsContact O-N 3.15Å; S403-S406 PolarHBondContact O-OG 3.08Å; S404-S406 VanDerWaalsContact C-N 3.34Å
407	S	95.8	Very high	95.5	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.021	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-62.5	135.9	172.5	-160	0	0	0	0	109.7	K137 P398 D409	K137-S407 PolarHBondContact NZ-OG 3.21Å; K137-S407 VanDerWaalsContact NZ-OG 3.12Å; P398-S407 WeakPolarHBondContact O-CB 2.99Å; P398-S407 PolarHBondContact O-N 3.27Å; S407-D409 PolarHBondContact O-N 2.94Å; S407-D409 PolarHBondContact OG-OD1 2.94Å; S407-D409 PolarHBondContact OG-OD2 3.47Å
408	A	96.8	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.152	C	C	.	.			trans	-76.7	57.7	170.8	0	0	0	0	0	110.8	I34 G37 I39 F410 G435	I34-A408 HydrophobicContact CB-CB 4.13Å; I34-A408 HydrophobicContact CD1-CB 4.2Å; I34-A408 HydrophobicContact CG2-CB 3.88Å; G37-A408 WeakPolarHBondContact O-CB 3.4Å; G37-A408 PolarHBondContact O-N 2.81Å; I39-A408 HydrophobicContact CG1-CB 4.07Å; A408-F410 HydrophobicContact CB-CD1 4.43Å; A408-F410 HydrophobicContact CB-CE1 4.13Å; A408-G435 PolarHBondContact O-N 2.83Å
409	D	97.6	Very high	93.4	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	19%	0.191	C	C	.	.			trans	-107.8	104.7	174.8	-65	15.5	0	0	0	107.3	G67 K137 L399 S407 W432 N434	G67-D409 PolarHBondContact N-O 3.11Å; K137-D409 VanDerWaalsContact CE-OD2 3.31Å; K137-D409 WeakPolarHBondContact CE-OD2 3.23Å; K137-D409 IonicContact NZ-OD1 2.94Å; K137-D409 IonicContact NZ-OD2 3.54Å; K137-D409 PolarHBondContact NZ-OD2 3.21Å; L399-D409 HydrophobicContact CD2-CB 4.19Å; L399-D409 VanDerWaalsContact CD2-OD2 3.27Å; L399-D409 WeakPolarHBondContact CD2-OD2 3.47Å; S407-D409 PolarHBondContact O-N 2.94Å; S407-D409 PolarHBondContact OG-OD1 2.94Å; S407-D409 PolarHBondContact OG-OD2 3.47Å; D409-W432 CarbonylContact C-O 3.47Å; D409-W432 VanDerWaalsContact CA-O 3.31Å; D409-W432 WeakPolarHBondContact CA-O 3.28Å; D409-N434 PolarHBondContact OD1-N 2.94Å
410	F	98.6	Very high	92.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	161.8	-172.3	60.6	-97.2	0	0	0	111.6	F16 L32 I34 I64 S65 L402 A408 I412 W432	F16-F410 HydrophobicContact CD2-CZ 4.49Å; F16-F410 HydrophobicContact CE1-CE2 4.15Å; F16-F410 HydrophobicContact CE1-CZ 4.11Å; F16-F410 HydrophobicContact CE2-CE2 4.49Å; F16-F410 AromaticContact CE2-CZ 3.76Å; F16-F410 HydrophobicContact CE2-CZ 3.76Å; F16-F410 HydrophobicContact CZ-CE2 4.05Å; F16-F410 AromaticContact CZ-CZ 3.54Å; F16-F410 HydrophobicContact CZ-CZ 3.54Å; L32-F410 HydrophobicContact CD2-CD1 3.93Å; L32-F410 HydrophobicContact CD2-CE1 3.85Å; L32-F410 HydrophobicContact CD2-CE2 4.42Å; L32-F410 HydrophobicContact CD2-CG 4.28Å; L32-F410 HydrophobicContact CD2-CZ 4.11Å; I34-F410 HydrophobicContact CD1-CE1 4.09Å; I34-F410 HydrophobicContact CD1-CZ 4.24Å; I34-F410 HydrophobicContact CG2-CE1 4.23Å; I64-F410 HydrophobicContact CG2-CB 3.93Å; I64-F410 HydrophobicContact CG2-CD2 3.52Å; I64-F410 HydrophobicContact CG2-CE2 4.23Å; I64-F410 HydrophobicContact CG2-CG 3.88Å; S65-F410 CarbonylContact O-C 3.15Å; S65-F410 VanDerWaalsContact O-CA 3.25Å; S65-F410 WeakPolarHBondContact O-CA 3.49Å; S65-F410 WeakPolarHBondContact O-CB 3.4Å; L402-F410 HydrophobicContact CD2-CB 3.83Å; A408-F410 HydrophobicContact CB-CD1 4.43Å; A408-F410 HydrophobicContact CB-CE1 4.13Å; F410-I412 HydrophobicContact CD2-CG1 4.26Å; F410-I412 HydrophobicContact CE2-CD1 4.33Å; F410-I412 HydrophobicContact CE2-CG1 4.13Å; F410-W432 HydrophobicContact CD1-CB 4.11Å; F410-W432 HydrophobicContact CD2-CB 3.96Å; F410-W432 AromaticContact CD2-CD1 3.87Å; F410-W432 AromaticContact CD2-CG 3.99Å; F410-W432 HydrophobicContact CD2-CG 3.99Å; F410-W432 HydrophobicContact CE1-CB 3.86Å; F410-W432 HydrophobicContact CE1-CD2 4.38Å; F410-W432 HydrophobicContact CE1-CG 4.1Å; F410-W432 HydrophobicContact CE2-CB 3.73Å; F410-W432 AromaticContact CE2-CD1 3.26Å; F410-W432 AromaticContact CE2-CD2 3.86Å; F410-W432 HydrophobicContact CE2-CD2 3.86Å; F410-W432 AromaticContact CE2-CG 3.34Å; F410-W432 HydrophobicContact CE2-CG 3.34Å; F410-W432 AromaticContact CE2-NE1 3.73Å; F410-W432 HydrophobicContact CG-CB 4.15Å; F410-W432 HydrophobicContact CZ-CB 3.66Å; F410-W432 AromaticContact CZ-CD1 3.79Å; F410-W432 AromaticContact CZ-CD2 3.54Å; F410-W432 HydrophobicContact CZ-CD2 3.54Å; F410-W432 AromaticContact CZ-CE3 3.97Å; F410-W432 HydrophobicContact CZ-CE3 3.97Å; F410-W432 AromaticContact CZ-CG 3.38Å; F410-W432 HydrophobicContact CZ-CG 3.38Å; F410-W432 PolarHBondContact N-O 3.48Å; F410-W432 PolarHBondContact O-N 3.42Å
411	I	98.7	Very high	91.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.4	172.2	60.2	170.8	0	0	0	110	I64 S65 L68 G103 L334 I413 L428 C430 T431	I64-I411 WeakPolarHBondContact CA-O 3.26Å; S65-I411 PolarHBondContact N-O 3Å; S65-I411 PolarHBondContact O-N 2.83Å; L68-I411 HydrophobicContact CD1-CD1 4.19Å; L68-I411 HydrophobicContact CD2-CD1 3.89Å; L68-I411 HydrophobicContact CG-CD1 3.86Å; G103-I411 VanDerWaalsContact O-CG2 3.29Å; G103-I411 WeakPolarHBondContact O-CG2 3.4Å; L334-I411 HydrophobicContact CD1-CD1 4.18Å; I411-I413 HydrophobicContact CB-CG2 4.34Å; I411-I413 HydrophobicContact CD1-CG2 3.59Å; I411-I413 HydrophobicContact CG1-CG2 3.98Å; I411-L428 HydrophobicContact CB-CD1 3.82Å; I411-L428 HydrophobicContact CD1-CD1 4.43Å; I411-L428 HydrophobicContact CG2-CD1 4.01Å; I411-C430 CarbonylContact C-O 3.54Å; I411-C430 WeakPolarHBondContact CA-O 3.38Å; I411-T431 HydrophobicContact CG2-CG2 3.98Å
412	I	98.5	Very high	90.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.4	168.8	-52	-177.7	0	0	0	107.1	F16 V59 I63 I64 F410 L429 C430 I448	F16-I412 HydrophobicContact CD1-CD1 4.08Å; F16-I412 HydrophobicContact CE1-CD1 3.99Å; V59-I412 HydrophobicContact CG1-CG2 3.56Å; I63-I412 WeakPolarHBondContact O-CA 3.48Å; I64-I412 HydrophobicContact CG1-CG1 4.34Å; F410-I412 HydrophobicContact CD2-CG1 4.26Å; F410-I412 HydrophobicContact CE2-CD1 4.33Å; F410-I412 HydrophobicContact CE2-CG1 4.13Å; I412-L429 HydrophobicContact CB-CB 4.46Å; I412-L429 HydrophobicContact CG2-CB 4.33Å; I412-L429 HydrophobicContact CG2-CD1 4.16Å; I412-L429 WeakPolarHBondContact O-CA 3.3Å; I412-L429 WeakPolarHBondContact O-CB 3.48Å; I412-L429 PolarHBondContact O-N 3.03Å; I412-C430 HydrophobicContact CB-CB 4.21Å; I412-C430 HydrophobicContact CD1-CB 4.33Å; I412-C430 HydrophobicContact CG1-CB 4.37Å; I412-C430 PolarHBondContact N-O 3.02Å; I412-C430 PolarHBondContact O-N 3.06Å; I412-I448 HydrophobicContact CB-CD1 4.45Å; I412-I448 HydrophobicContact CD1-CD1 4.1Å; I412-I448 HydrophobicContact CG2-CD1 4.03Å
413	I	98.3	Very high	89.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.9	-177.3	66.4	179.8	0	0	0	111.4	I63 L334 L366 I411 I426 K427 L428	I63-I413 HydrophobicContact CB-CD1 4.33Å; I63-I413 HydrophobicContact CB-CG1 3.79Å; I63-I413 HydrophobicContact CG2-CD1 4.28Å; I63-I413 HydrophobicContact CG2-CG1 4.18Å; I63-I413 PolarHBondContact N-O 2.86Å; I63-I413 PolarHBondContact O-N 2.9Å; L334-I413 HydrophobicContact CD1-CG2 4.42Å; L334-I413 HydrophobicContact CD2-CG2 4.35Å; L366-I413 HydrophobicContact CD1-CD1 3.71Å; L366-I413 HydrophobicContact CD2-CD1 3.6Å; L366-I413 HydrophobicContact CG-CD1 4.26Å; I411-I413 HydrophobicContact CB-CG2 4.34Å; I411-I413 HydrophobicContact CD1-CG2 3.59Å; I411-I413 HydrophobicContact CG1-CG2 3.98Å; I413-I426 HydrophobicContact CB-CG2 3.9Å; I413-I426 HydrophobicContact CD1-CG2 3.75Å; I413-I426 HydrophobicContact CG1-CG2 4.24Å; I413-I426 HydrophobicContact CG2-CG2 4.26Å; I413-K427 CarbonylContact C-O 3.54Å; I413-K427 WeakPolarHBondContact CA-O 3.17Å; I413-K427 WeakPolarHBondContact CB-O 3.34Å; I413-L428 HydrophobicContact CG2-CD1 3.98Å
414	R	96.1	Very high	89.2	Confident	68 Å²	68	46.8 Å²	46.8	26%	0.257	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	121.2	172.9	-176.7	65.2	175.4	-152.5	-9.3	110	G60 G61 V416 K427 L429 Y447	G60-R414 PolarHBondContact O-NH1 3.19Å; G61-R414 PolarHBondContact O-NH1 3.28Å; R414-V416 HydrophobicContact CB-CG1 4.37Å; R414-V416 HydrophobicContact CG-CG1 3.88Å; R414-V416 PolarHBondContact O-N 2.89Å; R414-K427 PolarHBondContact N-O 3.47Å; R414-K427 WeakPolarHBondContact O-CB 3.46Å; R414-K427 PolarHBondContact O-N 3.25Å; R414-L429 HydrophobicContact CB-CD1 3.9Å; R414-L429 HydrophobicContact CB-CG 4.28Å; R414-Y447 HydrophobicContact CB-CD1 4.42Å; R414-Y447 HydrophobicContact CG-CD1 4.03Å; R414-Y447 HydrophobicContact CG-CE1 4.07Å
415	P	94.4	Very high	89.2	Confident	12 Å²	12	46.3 Å²	46.3	8%	0.078	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	125	164.1	-22	34.8	0	0	0	109.5	I63 W341 W359 L362 E425	I63-P415 HydrophobicContact CD1-CG 4Å; W341-P415 HydrophobicContact CH2-CB 4.19Å; W359-P415 HydrophobicContact CD2-CG 4.12Å; W359-P415 HydrophobicContact CG-CG 4.26Å; W359-P415 HydrophobicContact CZ2-CB 4.48Å; W359-P415 HydrophobicContact CZ2-CG 4.19Å; L362-P415 HydrophobicContact CD2-CG 3.43Å; L362-P415 VanDerWaalsContact CD2-CG 3.43Å; P415-E425 CarbonylContact C-O 3.58Å; P415-E425 VanDerWaalsContact CA-O 3.3Å; P415-E425 WeakPolarHBondContact CA-O 3.14Å
416	V	92.1	Very high	89.2	Confident	33 Å²	33	45.4 Å²	45.4	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.8	-179.5	-63.9	0	0	0	0	109.8	R414 P424 E425 K427 Y447	R414-V416 HydrophobicContact CB-CG1 4.37Å; R414-V416 HydrophobicContact CG-CG1 3.88Å; R414-V416 PolarHBondContact O-N 2.89Å; V416-P424 CarbonylContact O-C 3.5Å; V416-P424 WeakPolarHBondContact O-CA 3.27Å; V416-E425 HydrophobicContact CG2-CB 4.08Å; V416-E425 PolarHBondContact N-O 2.84Å; V416-E425 PolarHBondContact O-N 3.33Å; V416-K427 HydrophobicContact CG1-CB 4.2Å; V416-K427 HydrophobicContact CG1-CD 4.5Å; V416-K427 HydrophobicContact CG2-CB 4.01Å; V416-Y447 HydrophobicContact CG1-CE1 4.35Å
417	L	84	Confident	89.2	Confident	145 Å²	145	48 Å²	48	76%	0.759	26%	0.262	S	S	*	.			trans	-76.9	132.5	165.8	-67.8	170.9	0	0	0	107.7	P424	L417-P424 HydrophobicContact CD2-CB 4.4Å
418	S	72	Confident	89.3	Confident	33 Å²	33	48.6 Å²	48.6	23%	0.231	27%	0.265	C	S	.	.			trans	-82.1	142.1	173.6	176.3	0	0	0	0	109.8	T420 S421	S418-T420 PolarHBondContact O-N 3.46Å; S418-T420 PolarHBondContact OG-N 3.42Å; S418-T420 PolarHBondContact OG-OG1 2.89Å; S418-S421 VanDerWaalsContact O-O 3.11Å; S418-S421 PolarHBondContact OG-N 3.43Å
419	D	71.2	Confident	89.4	Confident	175 Å²	175	48.6 Å²	48.6	94%	0.936	27%	0.265	S	S	*	.	S	Bend	trans	-67.7	-21.9	169.7	-65.3	-32.3	0	0	0	111.9
420	T	72.2	Confident	89.3	Confident	135 Å²	135	48.4 Å²	48.4	83%	0.828	26%	0.264	S	S	*	.	S	Bend	trans	-104.5	-11.6	-173.6	62.2	0	0	0	0	114.2	S418	S418-T420 PolarHBondContact O-N 3.46Å; S418-T420 PolarHBondContact OG-N 3.42Å; S418-T420 PolarHBondContact OG-OG1 2.89Å
421	S	73.6	Confident	89.3	Confident	33 Å²	33	48.4 Å²	48.4	23%	0.231	26%	0.264	C	S	.	.			trans	-138.6	135	-175.9	169.6	0	0	0	0	110.6	S418 K423	S418-S421 VanDerWaalsContact O-O 3.11Å; S418-S421 PolarHBondContact OG-N 3.43Å; S421-K423 PolarHBondContact O-N 2.86Å; S421-K423 PolarHBondContact OG-N 2.91Å; S421-K423 VanDerWaalsContact OG-N 3.13Å; S421-K423 PolarHBondContact OG-O 3.4Å
422	P	75.5	Confident	89.3	Confident	130 Å²	130	48.5 Å²	48.5	84%	0.844	26%	0.264	S	S	*	.	S	Bend	trans	-69.4	-15.8	174.6	30.9	-35.4	0	0	0	112.3
423	K	84	Confident	89.2	Confident	89 Å²	89	48.5 Å²	48.5	39%	0.387	26%	0.264	S	S	.	.	S	Bend	trans	-86.2	136.5	177	-67.6	-172.8	176.8	-171.5	0	109.6	L342 E343 S421	L342-K423 HydrophobicContact CD1-CB 4.02Å; L342-K423 HydrophobicContact CD1-CD 4.25Å; E343-K423 IonicContact OE1-NZ 2.63Å; E343-K423 PolarHBondContact OE1-NZ 3.15Å; S421-K423 PolarHBondContact O-N 2.86Å; S421-K423 PolarHBondContact OG-N 2.91Å; S421-K423 VanDerWaalsContact OG-N 3.13Å; S421-K423 PolarHBondContact OG-O 3.4Å
424	P	89.2	Confident	88.9	Confident	15 Å²	15	51.9 Å²	51.9	10%	0.097	28%	0.282	C	S	.	.			trans	-66.2	148.8	178.1	31	-36.2	0	0	0	110.8	W341 L342 V416 L417	W341-P424 HydrophobicContact CH2-CB 4.28Å; W341-P424 HydrophobicContact CH2-CG 3.82Å; W341-P424 HydrophobicContact CZ3-CB 4.31Å; W341-P424 HydrophobicContact CZ3-CG 3.86Å; L342-P424 HydrophobicContact CD2-CG 3.7Å; V416-P424 CarbonylContact O-C 3.5Å; V416-P424 WeakPolarHBondContact O-CA 3.27Å; L417-P424 HydrophobicContact CD2-CB 4.4Å
425	E	93	Very high	88.8	Confident	61 Å²	61	48.9 Å²	48.9	29%	0.285	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	153.5	173.9	-68.6	-56.9	139.9	0	0	110.5	R338 P415 V416	R338-E425 WeakPolarHBondContact CD-OE2 3.44Å; R338-E425 IonicContact CZ-OE1 3.07Å; R338-E425 IonicContact NE-OE1 2.57Å; R338-E425 IonicContact NE-OE2 3.75Å; R338-E425 IonicContact NH1-OE1 2.74Å; R338-E425 PolarHBondContact NH1-OE1 3.37Å; R338-E425 IonicContact NH1-OE2 3.62Å; P415-E425 CarbonylContact C-O 3.58Å; P415-E425 VanDerWaalsContact CA-O 3.3Å; P415-E425 WeakPolarHBondContact CA-O 3.14Å; V416-E425 HydrophobicContact CG2-CB 4.08Å; V416-E425 PolarHBondContact N-O 2.84Å; V416-E425 PolarHBondContact O-N 3.33Å
426	I	96.1	Very high	88.8	Confident	16 Å²	16	52.2 Å²	52.2	8%	0.082	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	106.4	170.2	-60.4	173.8	0	0	0	107.7	L334 V337 R338 W341 L362 I413	L334-I426 HydrophobicContact CD1-CG2 3.81Å; L334-I426 HydrophobicContact CD2-CG2 4.13Å; L334-I426 HydrophobicContact CG-CB 4.43Å; L334-I426 HydrophobicContact CG-CG2 4.05Å; V337-I426 HydrophobicContact CG1-CD1 4Å; R338-I426 HydrophobicContact CB-CD1 3.76Å; R338-I426 HydrophobicContact CB-CG1 4.04Å; R338-I426 HydrophobicContact CG-CD1 4.27Å; R338-I426 HydrophobicContact CG-CG1 4.1Å; W341-I426 HydrophobicContact CE3-CD1 4.04Å; W341-I426 HydrophobicContact CE3-CG1 4.16Å; W341-I426 HydrophobicContact CZ3-CG1 4.13Å; L362-I426 HydrophobicContact CD1-CD1 3.65Å; I413-I426 HydrophobicContact CB-CG2 3.9Å; I413-I426 HydrophobicContact CD1-CG2 3.75Å; I413-I426 HydrophobicContact CG1-CG2 4.24Å; I413-I426 HydrophobicContact CG2-CG2 4.26Å
427	K	96	Very high	88.9	Confident	55 Å²	55	51.2 Å²	51.2	24%	0.239	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.4	177.6	-173.1	167.6	-175.6	150.3	0	110.5	I413 R414 V416 L429 D443 Y447	I413-K427 CarbonylContact C-O 3.54Å; I413-K427 WeakPolarHBondContact CA-O 3.17Å; I413-K427 WeakPolarHBondContact CB-O 3.34Å; R414-K427 PolarHBondContact N-O 3.47Å; R414-K427 WeakPolarHBondContact O-CB 3.46Å; R414-K427 PolarHBondContact O-N 3.25Å; V416-K427 HydrophobicContact CG1-CB 4.2Å; V416-K427 HydrophobicContact CG1-CD 4.5Å; V416-K427 HydrophobicContact CG2-CB 4.01Å; K427-L429 HydrophobicContact CD-CD2 4.11Å; K427-L429 HydrophobicContact CG-CD2 4.05Å; K427-L429 PolarHBondContact O-N 3.39Å; K427-D443 WeakPolarHBondContact CE-OD1 3.36Å; K427-D443 IonicContact NZ-OD1 3.86Å; K427-D443 PolarHBondContact NZ-OD1 3.24Å; K427-D443 IonicContact NZ-OD2 3.57Å; K427-D443 PolarHBondContact NZ-OD2 3.3Å; K427-Y447 HydrophobicContact CD-CE2 4.34Å
428	L	98	Very high	89.5	Confident	16 Å²	16	45.9 Å²	45.9	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	117.7	167.2	-177.1	63.6	0	0	0	109.5	Q101 L334 I411 I413 Y439 C441	Q101-L428 WeakPolarHBondContact O-CD2 3.23Å; L334-L428 HydrophobicContact CD2-CB 3.76Å; L334-L428 HydrophobicContact CD2-CD1 4.47Å; I411-L428 HydrophobicContact CB-CD1 3.82Å; I411-L428 HydrophobicContact CD1-CD1 4.43Å; I411-L428 HydrophobicContact CG2-CD1 4.01Å; I413-L428 HydrophobicContact CG2-CD1 3.98Å; L428-Y439 HydrophobicContact CD2-CD1 3.77Å; L428-Y439 HydrophobicContact CD2-CE1 3.64Å; L428-Y439 HydrophobicContact CG-CD1 4.17Å; L428-Y439 HydrophobicContact CG-CE1 3.94Å; L428-C441 WeakPolarHBondContact O-CB 3.31Å
429	L	97.3	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-43.8	178.1	-59.4	178.3	0	0	0	111.3	I412 R414 K427 F440 C441 Y447 I448	I412-L429 HydrophobicContact CB-CB 4.46Å; I412-L429 HydrophobicContact CG2-CB 4.33Å; I412-L429 HydrophobicContact CG2-CD1 4.16Å; I412-L429 WeakPolarHBondContact O-CA 3.3Å; I412-L429 WeakPolarHBondContact O-CB 3.48Å; I412-L429 PolarHBondContact O-N 3.03Å; R414-L429 HydrophobicContact CB-CD1 3.9Å; R414-L429 HydrophobicContact CB-CG 4.28Å; K427-L429 HydrophobicContact CD-CD2 4.11Å; K427-L429 HydrophobicContact CG-CD2 4.05Å; K427-L429 PolarHBondContact O-N 3.39Å; L429-F440 WeakPolarHBondContact O-CA 3.31Å; L429-C441 PolarHBondContact O-N 3.03Å; L429-C441 VanDerWaalsContact O-N 3.14Å; L429-Y447 HydrophobicContact CD1-CD1 4.44Å; L429-Y447 HydrophobicContact CD1-CG 3.96Å; L429-Y447 HydrophobicContact CD2-CD1 4.36Å; L429-Y447 HydrophobicContact CD2-CD2 3.5Å; L429-Y447 HydrophobicContact CD2-CE2 4.01Å; L429-Y447 HydrophobicContact CD2-CG 3.72Å; L429-I448 HydrophobicContact CB-CD1 3.97Å; L429-I448 HydrophobicContact CD1-CD1 4.33Å; L429-I448 HydrophobicContact CD1-CG1 4.35Å
430	C	97.1	Very high	91.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	148.7	-178.3	-175.9	0	0	0	0	111.8	I411 I412 W432 Y439 F440 I448	I411-C430 CarbonylContact C-O 3.54Å; I411-C430 WeakPolarHBondContact CA-O 3.38Å; I412-C430 HydrophobicContact CB-CB 4.21Å; I412-C430 HydrophobicContact CD1-CB 4.33Å; I412-C430 HydrophobicContact CG1-CB 4.37Å; I412-C430 PolarHBondContact N-O 3.02Å; I412-C430 PolarHBondContact O-N 3.06Å; C430-W432 PolarHBondContact SG-NE1 2.93Å; C430-Y439 VanDerWaalsContact CA-O 3.27Å; C430-Y439 WeakPolarHBondContact CA-O 3.32Å; C430-Y439 PolarHBondContact SG-O 3.35Å; C430-F440 HydrophobicContact CB-CD1 3.73Å; C430-F440 HydrophobicContact CB-CE1 3.66Å; C430-F440 WeakPolarHBondContact SG-CE1 3.38Å; C430-F440 WeakPolarHBondContact SG-CZ 3.44Å; C430-I448 HydrophobicContact CB-CD1 4.44Å
431	T	98.2	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.8	167.6	-55.4	0	0	0	0	109.3	P100 T105 I411 I433 V438 Y439	P100-T431 HydrophobicContact CB-CG2 3.89Å; P100-T431 WeakPolarHBondContact O-CB 3.47Å; P100-T431 PolarHBondContact O-OG1 3.05Å; T105-T431 HydrophobicContact CG2-CG2 3.62Å; I411-T431 HydrophobicContact CG2-CG2 3.98Å; T431-I433 HydrophobicContact CG2-CG1 4.41Å; T431-V438 HydrophobicContact CG2-CG2 3.99Å; T431-V438 WeakPolarHBondContact O-CG2 3.42Å; T431-V438 PolarHBondContact O-N 3.49Å; T431-Y439 PolarHBondContact N-O 3.5Å; T431-Y439 VanDerWaalsContact N-O 3.11Å; T431-Y439 PolarHBondContact O-N 2.65Å
432	W	97.5	Very high	93.6	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.8	177.2	-70.1	69.8	0	0	0	110	L4 L9 I14 F16 I34 I57 D409 F410 C430 G435 K436 P437	L4-W432 HydrophobicContact CD2-CH2 3.63Å; L4-W432 HydrophobicContact CD2-CZ2 3.27Å; L9-W432 HydrophobicContact CD1-CH2 4.29Å; L9-W432 HydrophobicContact CD1-CZ3 3.88Å; I14-W432 HydrophobicContact CD1-CZ3 4.31Å; F16-W432 AromaticContact CE1-CE2 3.86Å; F16-W432 HydrophobicContact CE1-CH2 4.16Å; F16-W432 AromaticContact CE1-CZ2 3.57Å; F16-W432 HydrophobicContact CE1-CZ2 3.57Å; F16-W432 HydrophobicContact CZ-CD2 4.21Å; F16-W432 AromaticContact CZ-CE2 3.78Å; F16-W432 HydrophobicContact CZ-CE3 4.28Å; F16-W432 AromaticContact CZ-CH2 3.62Å; F16-W432 HydrophobicContact CZ-CH2 3.62Å; F16-W432 AromaticContact CZ-CZ2 3.48Å; F16-W432 HydrophobicContact CZ-CZ2 3.48Å; F16-W432 VanDerWaalsContact CZ-CZ2 3.48Å; F16-W432 HydrophobicContact CZ-CZ3 4.01Å; I34-W432 HydrophobicContact CD1-CE3 4.14Å; I34-W432 HydrophobicContact CD1-CZ3 4.07Å; I57-W432 HydrophobicContact CD1-CH2 3.93Å; I57-W432 HydrophobicContact CD1-CZ2 3.89Å; D409-W432 CarbonylContact C-O 3.47Å; D409-W432 VanDerWaalsContact CA-O 3.31Å; D409-W432 WeakPolarHBondContact CA-O 3.28Å; F410-W432 HydrophobicContact CD1-CB 4.11Å; F410-W432 HydrophobicContact CD2-CB 3.96Å; F410-W432 AromaticContact CD2-CD1 3.87Å; F410-W432 AromaticContact CD2-CG 3.99Å; F410-W432 HydrophobicContact CD2-CG 3.99Å; F410-W432 HydrophobicContact CE1-CB 3.86Å; F410-W432 HydrophobicContact CE1-CD2 4.38Å; F410-W432 HydrophobicContact CE1-CG 4.1Å; F410-W432 HydrophobicContact CE2-CB 3.73Å; F410-W432 AromaticContact CE2-CD1 3.26Å; F410-W432 AromaticContact CE2-CD2 3.86Å; F410-W432 HydrophobicContact CE2-CD2 3.86Å; F410-W432 AromaticContact CE2-CG 3.34Å; F410-W432 HydrophobicContact CE2-CG 3.34Å; F410-W432 AromaticContact CE2-NE1 3.73Å; F410-W432 HydrophobicContact CG-CB 4.15Å; F410-W432 HydrophobicContact CZ-CB 3.66Å; F410-W432 AromaticContact CZ-CD1 3.79Å; F410-W432 AromaticContact CZ-CD2 3.54Å; F410-W432 HydrophobicContact CZ-CD2 3.54Å; F410-W432 AromaticContact CZ-CE3 3.97Å; F410-W432 HydrophobicContact CZ-CE3 3.97Å; F410-W432 AromaticContact CZ-CG 3.38Å; F410-W432 HydrophobicContact CZ-CG 3.38Å; F410-W432 PolarHBondContact N-O 3.48Å; F410-W432 PolarHBondContact O-N 3.42Å; C430-W432 PolarHBondContact SG-NE1 2.93Å; W432-G435 VanDerWaalsContact CZ3-O 3.29Å; W432-G435 WeakPolarHBondContact CZ3-O 3.31Å; W432-K436 CarbonylContact C-O 3.5Å; W432-K436 VanDerWaalsContact CA-O 3.27Å; W432-K436 WeakPolarHBondContact CA-O 3.17Å; W432-P437 HydrophobicContact CD2-CB 4.12Å; W432-P437 HydrophobicContact CE3-CB 4.48Å; W432-P437 HydrophobicContact CH2-CB 4.48Å; W432-P437 HydrophobicContact CH2-CG 4.27Å; W432-P437 HydrophobicContact CZ2-CB 4.15Å; W432-P437 HydrophobicContact CZ2-CG 4.36Å; W432-P437 HydrophobicContact CZ3-CG 4.46Å
433	I	96.8	Very high	94.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.7	174.2	-60.8	-177.9	0	0	0	107.7	P100 T105 C135 T431 G435 K436 V438	P100-I433 HydrophobicContact CB-CD1 4.4Å; P100-I433 HydrophobicContact CG-CD1 3.88Å; T105-I433 HydrophobicContact CG2-CD1 4.24Å; T105-I433 HydrophobicContact CG2-CG1 3.89Å; C135-I433 VanDerWaalsContact C-CD1 3.46Å; C135-I433 WeakPolarHBondContact O-CD1 3.4Å; T431-I433 HydrophobicContact CG2-CG1 4.41Å; I433-G435 PolarHBondContact O-N 2.93Å; I433-K436 PolarHBondContact N-O 3.08Å; I433-K436 PolarHBondContact O-N 2.71Å; I433-K436 VanDerWaalsContact O-N 3.07Å; I433-K436 VanDerWaalsContact O-O 3.12Å; I433-V438 HydrophobicContact CB-CG1 4.11Å; I433-V438 HydrophobicContact CB-CG2 4.34Å; I433-V438 HydrophobicContact CD1-CG2 3.91Å; I433-V438 HydrophobicContact CG1-CG2 3.84Å
434	N	93	Very high	94.8	Very high	70 Å²	70	31.8 Å²	31.8	37%	0.374	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	39.9	-177.5	-164	26.1	0	0	0	112.5	G37 D409 K436	G37-N434 VanDerWaalsContact CA-C 3.47Å; G37-N434 WeakPolarHBondContact CA-O 3.43Å; D409-N434 PolarHBondContact OD1-N 2.94Å; N434-K436 PolarHBondContact O-N 3.09Å; N434-K436 VanDerWaalsContact O-N 3.16Å
435	G	93.5	Very high	94.8	Very high	5 Å²	5	34.7 Å²	34.7	5%	0.052	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	16.6	179.6	0	0	0	0	0	114.5	A408 W432 I433	A408-G435 PolarHBondContact O-N 2.83Å; W432-G435 VanDerWaalsContact CZ3-O 3.29Å; W432-G435 WeakPolarHBondContact CZ3-O 3.31Å; I433-G435 PolarHBondContact O-N 2.93Å
436	K	94.2	Very high	94.8	Very high	83 Å²	83	35.5 Å²	35.5	36%	0.361	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.3	172.1	-66.3	-178.5	-176.8	171.7	0	110	L9 W432 I433 N434	L9-K436 HydrophobicContact CD1-CG 4.35Å; W432-K436 CarbonylContact C-O 3.5Å; W432-K436 VanDerWaalsContact CA-O 3.27Å; W432-K436 WeakPolarHBondContact CA-O 3.17Å; I433-K436 PolarHBondContact N-O 3.08Å; I433-K436 PolarHBondContact O-N 2.71Å; I433-K436 VanDerWaalsContact O-N 3.07Å; I433-K436 VanDerWaalsContact O-O 3.12Å; N434-K436 PolarHBondContact O-N 3.09Å; N434-K436 VanDerWaalsContact O-N 3.16Å
437	P	94.8	Very high	94.6	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.071	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	137.1	172.1	31.4	-32.4	0	0	0	110.3	L4 F5 W432 F440	L4-P437 HydrophobicContact CB-CG 4.12Å; L4-P437 HydrophobicContact CD2-CB 4.43Å; L4-P437 HydrophobicContact CD2-CG 4.08Å; F5-P437 WeakPolarHBondContact CE1-O 3.47Å; W432-P437 HydrophobicContact CD2-CB 4.12Å; W432-P437 HydrophobicContact CE3-CB 4.48Å; W432-P437 HydrophobicContact CH2-CB 4.48Å; W432-P437 HydrophobicContact CH2-CG 4.27Å; W432-P437 HydrophobicContact CZ2-CB 4.15Å; W432-P437 HydrophobicContact CZ2-CG 4.36Å; W432-P437 HydrophobicContact CZ3-CG 4.46Å; P437-F440 HydrophobicContact CB-CE1 4.25Å; P437-F440 HydrophobicContact CB-CE2 3.43Å; P437-F440 VanDerWaalsContact CB-CE2 3.43Å; P437-F440 HydrophobicContact CB-CZ 3.14Å; P437-F440 HydrophobicContact CG-CE2 3.96Å; P437-F440 HydrophobicContact CG-CZ 3.77Å
438	V	95.6	Very high	94.4	Very high	33 Å²	33	35.2 Å²	35.2	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-14.9	-177	-60.5	0	0	0	0	112.7	P100 N134 T431 I433	P100-V438 HydrophobicContact CB-CG2 3.54Å; P100-V438 HydrophobicContact CG-CG2 4.05Å; N134-V438 HydrophobicContact CB-CG1 3.73Å; N134-V438 WeakPolarHBondContact O-CG1 3.45Å; T431-V438 HydrophobicContact CG2-CG2 3.99Å; T431-V438 WeakPolarHBondContact O-CG2 3.42Å; T431-V438 PolarHBondContact O-N 3.49Å; I433-V438 HydrophobicContact CB-CG1 4.11Å; I433-V438 HydrophobicContact CB-CG2 4.34Å; I433-V438 HydrophobicContact CD1-CG2 3.91Å; I433-V438 HydrophobicContact CG1-CG2 3.84Å
439	Y	96.4	Very high	94.2	Very high	64 Å²	64	38.5 Å²	38.5	25%	0.251	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.3	176	171.7	-99.3	0	0	0	111.1	Q101 L428 C430 T431	Q101-Y439 HydrophobicContact CB-CD2 3.5Å; Q101-Y439 VanDerWaalsContact CB-CD2 3.5Å; Q101-Y439 HydrophobicContact CB-CE2 3.49Å; Q101-Y439 VanDerWaalsContact CB-CE2 3.49Å; Q101-Y439 HydrophobicContact CB-CG 4.09Å; L428-Y439 HydrophobicContact CD2-CD1 3.77Å; L428-Y439 HydrophobicContact CD2-CE1 3.64Å; L428-Y439 HydrophobicContact CG-CD1 4.17Å; L428-Y439 HydrophobicContact CG-CE1 3.94Å; C430-Y439 VanDerWaalsContact CA-O 3.27Å; C430-Y439 WeakPolarHBondContact CA-O 3.32Å; C430-Y439 PolarHBondContact SG-O 3.35Å; T431-Y439 PolarHBondContact N-O 3.5Å; T431-Y439 VanDerWaalsContact N-O 3.11Å; T431-Y439 PolarHBondContact O-N 2.65Å
440	F	94.2	Very high	93.7	Very high	25 Å²	25	40.9 Å²	40.9	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.6	166.9	-64	-85.5	0	0	0	110.7	L4 F5 L429 C430 P437 Y444	L4-F440 HydrophobicContact CB-CE1 3.74Å; L4-F440 HydrophobicContact CB-CE2 3.64Å; L4-F440 HydrophobicContact CB-CZ 3.08Å; L4-F440 HydrophobicContact CD1-CD1 4.26Å; L4-F440 HydrophobicContact CD1-CE1 3.29Å; L4-F440 HydrophobicContact CD1-CZ 3.61Å; L4-F440 HydrophobicContact CD2-CE1 4.26Å; L4-F440 HydrophobicContact CD2-CZ 3.89Å; L4-F440 HydrophobicContact CG-CE1 3.91Å; L4-F440 HydrophobicContact CG-CZ 3.66Å; F5-F440 HydrophobicContact CD1-CE2 4.34Å; F5-F440 AromaticContact CD2-CD2 3.82Å; F5-F440 HydrophobicContact CD2-CD2 3.82Å; F5-F440 AromaticContact CD2-CE2 3.85Å; F5-F440 HydrophobicContact CD2-CE2 3.85Å; F5-F440 HydrophobicContact CE1-CD2 4.45Å; F5-F440 HydrophobicContact CE1-CE2 4.14Å; F5-F440 AromaticContact CE2-CD2 3.3Å; F5-F440 HydrophobicContact CE2-CD2 3.3Å; F5-F440 AromaticContact CE2-CE2 3.66Å; F5-F440 HydrophobicContact CE2-CE2 3.66Å; F5-F440 HydrophobicContact CG-CE2 4.2Å; F5-F440 AromaticContact CZ-CD2 3.65Å; F5-F440 HydrophobicContact CZ-CD2 3.65Å; F5-F440 AromaticContact CZ-CE2 3.79Å; F5-F440 HydrophobicContact CZ-CE2 3.79Å; L429-F440 WeakPolarHBondContact O-CA 3.31Å; C430-F440 HydrophobicContact CB-CD1 3.73Å; C430-F440 HydrophobicContact CB-CE1 3.66Å; C430-F440 WeakPolarHBondContact SG-CE1 3.38Å; C430-F440 WeakPolarHBondContact SG-CZ 3.44Å; P437-F440 HydrophobicContact CB-CE1 4.25Å; P437-F440 HydrophobicContact CB-CE2 3.43Å; P437-F440 VanDerWaalsContact CB-CE2 3.43Å; P437-F440 HydrophobicContact CB-CZ 3.14Å; P437-F440 HydrophobicContact CG-CE2 3.96Å; P437-F440 HydrophobicContact CG-CZ 3.77Å; F440-Y444 HydrophobicContact CB-CD1 3.73Å; F440-Y444 HydrophobicContact CB-CE1 4.1Å; F440-Y444 HydrophobicContact CB-CG 4.13Å; F440-Y444 HydrophobicContact CD1-CD1 4.02Å; F440-Y444 AromaticContact CD1-CD2 3.76Å; F440-Y444 HydrophobicContact CD1-CD2 3.76Å; F440-Y444 HydrophobicContact CD1-CE1 4.22Å; F440-Y444 HydrophobicContact CD1-CE2 4.01Å; F440-Y444 AromaticContact CD1-CG 3.74Å; F440-Y444 HydrophobicContact CD1-CG 3.74Å; F440-Y444 HydrophobicContact CE1-CD2 4.26Å; F440-Y444 HydrophobicContact CE1-CE2 4.24Å; F440-Y444 HydrophobicContact CG-CD1 4.08Å; F440-Y444 HydrophobicContact CG-CE1 4.15Å; F440-Y444 HydrophobicContact CG-CG 4.27Å
441	C	94.4	Very high	93.1	Very high	10 Å²	10	46 Å²	46	7%	0.068	25%	0.247	C	C	.	.			trans	-70.8	152.6	163.4	74.4	0	0	0	0	110.1	L428 L429 D443 Y444	L428-C441 WeakPolarHBondContact O-CB 3.31Å; L429-C441 PolarHBondContact O-N 3.03Å; L429-C441 VanDerWaalsContact O-N 3.14Å; C441-D443 PolarHBondContact O-N 3.2Å; C441-D443 VanDerWaalsContact O-N 3.1Å; C441-D443 PolarHBondContact SG-OD1 3.25Å; C441-Y444 VanDerWaalsContact O-CD1 3.28Å; C441-Y444 WeakPolarHBondContact O-CD1 3.08Å; C441-Y444 PolarHBondContact O-N 3.49Å; C441-Y444 PolarHBondContact SG-N 3.32Å
442	S	91.2	Very high	91.6	Very high	124 Å²	124	50.7 Å²	50.7	87%	0.867	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.7	-173.8	50	0	0	0	0	114.5
443	D	91.8	Very high	89.7	Confident	58 Å²	58	52.8 Å²	52.8	31%	0.31	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	20.5	-177.4	69.4	-36	0	0	0	113.7	K427 C441 H445 A446	K427-D443 WeakPolarHBondContact CE-OD1 3.36Å; K427-D443 IonicContact NZ-OD1 3.86Å; K427-D443 PolarHBondContact NZ-OD1 3.24Å; K427-D443 IonicContact NZ-OD2 3.57Å; K427-D443 PolarHBondContact NZ-OD2 3.3Å; C441-D443 PolarHBondContact O-N 3.2Å; C441-D443 VanDerWaalsContact O-N 3.1Å; C441-D443 PolarHBondContact SG-OD1 3.25Å; D443-H445 PolarHBondContact O-N 3.04Å; D443-H445 VanDerWaalsContact O-N 3.07Å; D443-A446 WeakPolarHBondContact O-CB 3.16Å; D443-A446 PolarHBondContact O-N 3.32Å
444	Y	91.8	Very high	87.3	Confident	18 Å²	18	62.6 Å²	62.6	7%	0.071	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-55.7	-29.9	-178.2	79.8	-85	0	0	0	113.7	L4 F440 C441 A446 Y447 I448	L4-Y444 HydrophobicContact CD1-CD2 4.22Å; L4-Y444 HydrophobicContact CD1-CE2 3.58Å; F440-Y444 HydrophobicContact CB-CD1 3.73Å; F440-Y444 HydrophobicContact CB-CE1 4.1Å; F440-Y444 HydrophobicContact CB-CG 4.13Å; F440-Y444 HydrophobicContact CD1-CD1 4.02Å; F440-Y444 AromaticContact CD1-CD2 3.76Å; F440-Y444 HydrophobicContact CD1-CD2 3.76Å; F440-Y444 HydrophobicContact CD1-CE1 4.22Å; F440-Y444 HydrophobicContact CD1-CE2 4.01Å; F440-Y444 AromaticContact CD1-CG 3.74Å; F440-Y444 HydrophobicContact CD1-CG 3.74Å; F440-Y444 HydrophobicContact CE1-CD2 4.26Å; F440-Y444 HydrophobicContact CE1-CE2 4.24Å; F440-Y444 HydrophobicContact CG-CD1 4.08Å; F440-Y444 HydrophobicContact CG-CE1 4.15Å; F440-Y444 HydrophobicContact CG-CG 4.27Å; C441-Y444 VanDerWaalsContact O-CD1 3.28Å; C441-Y444 WeakPolarHBondContact O-CD1 3.08Å; C441-Y444 PolarHBondContact O-N 3.49Å; C441-Y444 PolarHBondContact SG-N 3.32Å; Y444-A446 PolarHBondContact O-N 3.05Å; Y444-Y447 PolarHBondContact O-N 2.85Å; Y444-I448 HydrophobicContact CD2-CB 4.22Å; Y444-I448 PolarHBondContact O-N 3.13Å
445	H	90.7	Very high	87	Confident	76 Å²	76	62.3 Å²	62.3	35%	0.352	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-60.9	-20.9	177	-69.5	-69.6	0	0	0	114.1	D443 Y447	D443-H445 PolarHBondContact O-N 3.04Å; D443-H445 VanDerWaalsContact O-N 3.07Å; H445-Y447 PolarHBondContact O-N 3.49Å
446	A	91.4	Very high	86.7	Confident	79 Å²	79	65.3 Å²	65.3	65%	0.653	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-70.8	-15.7	172.8	0	0	0	0	0	112.5	D443 Y444	D443-A446 WeakPolarHBondContact O-CB 3.16Å; D443-A446 PolarHBondContact O-N 3.32Å; Y444-A446 PolarHBondContact O-N 3.05Å
447	Y	92.3	Very high	86.2	Confident	63 Å²	63	64.3 Å²	64.3	25%	0.247	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-32.9	-174.2	-55.5	-89.5	0	0	0	112.9	V59 G60 R414 V416 K427 L429 Y444 H445	V59-Y447 CarbonylContact C-O 3.52Å; G60-Y447 WeakPolarHBondContact CA-O 3.29Å; G60-Y447 PolarHBondContact N-O 3.16Å; R414-Y447 HydrophobicContact CB-CD1 4.42Å; R414-Y447 HydrophobicContact CG-CD1 4.03Å; R414-Y447 HydrophobicContact CG-CE1 4.07Å; V416-Y447 HydrophobicContact CG1-CE1 4.35Å; K427-Y447 HydrophobicContact CD-CE2 4.34Å; L429-Y447 HydrophobicContact CD1-CD1 4.44Å; L429-Y447 HydrophobicContact CD1-CG 3.96Å; L429-Y447 HydrophobicContact CD2-CD1 4.36Å; L429-Y447 HydrophobicContact CD2-CD2 3.5Å; L429-Y447 HydrophobicContact CD2-CE2 4.01Å; L429-Y447 HydrophobicContact CD2-CG 3.72Å; Y444-Y447 PolarHBondContact O-N 2.85Å; H445-Y447 PolarHBondContact O-N 3.49Å
448	I	92.9	Very high	85.7	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	39%	0.388	C	S	.	.			trans	-118	126.4	-172.7	-60.6	173.1	0	0	0	110.2	L4 I57 D58 I412 L429 C430 Y444	L4-I448 HydrophobicContact CD1-CG2 4.33Å; I57-I448 HydrophobicContact CG2-CG2 3.58Å; D58-I448 VanDerWaalsContact O-CA 3.28Å; D58-I448 WeakPolarHBondContact O-CA 3.46Å; I412-I448 HydrophobicContact CB-CD1 4.45Å; I412-I448 HydrophobicContact CD1-CD1 4.1Å; I412-I448 HydrophobicContact CG2-CD1 4.03Å; L429-I448 HydrophobicContact CB-CD1 3.97Å; L429-I448 HydrophobicContact CD1-CD1 4.33Å; L429-I448 HydrophobicContact CD1-CG1 4.35Å; C430-I448 HydrophobicContact CB-CD1 4.44Å; Y444-I448 HydrophobicContact CD2-CB 4.22Å; Y444-I448 PolarHBondContact O-N 3.13Å
449	N	92.1	Very high	85.1	Confident	85 Å²	85	69.6 Å²	69.6	46%	0.455	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.8	175.3	-63.5	-71.1	0	0	0	111.3	D58	D58-N449 HydrophobicContact CB-CB 4.05Å; D58-N449 PolarHBondContact N-O 3.01Å; D58-N449 PolarHBondContact O-N 3.5Å
450	I	87.9	Confident	84.4	Confident	50 Å²	50	69.9 Å²	69.9	26%	0.256	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.8	177.4	-50	159.3	0	0	0	108.4	L4 L7 I55	L4-I450 HydrophobicContact CB-CD1 4.31Å; L4-I450 HydrophobicContact CD1-CD1 3.72Å; L4-I450 HydrophobicContact CD1-CG1 4.01Å; L4-I450 HydrophobicContact CG-CD1 3.54Å; L4-I450 HydrophobicContact CG-CG1 4.12Å; L7-I450 HydrophobicContact CD1-CD1 4.43Å; L7-I450 HydrophobicContact CD1-CG2 4.24Å; I55-I450 HydrophobicContact CG2-CG2 4.27Å
451	K	83.4	Confident	83.7	Confident	108 Å²	108	73.1 Å²	73.1	47%	0.47	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.2	170	-64.4	176.4	-175.3	163.9	0	107.9	Y17 L56 S453	Y17-K451 PolarHBondContact OH-NZ 3.03Å; L56-K451 HydrophobicContact CB-CB 4.1Å; L56-K451 WeakPolarHBondContact CB-O 3.43Å; L56-K451 PolarHBondContact N-O 2.93Å; L56-K451 PolarHBondContact O-N 2.88Å; L56-K451 VanDerWaalsContact O-O 3.11Å; K451-S453 PolarHBondContact O-N 3.11Å
452	S	66.9	Low	82.8	Confident	98 Å²	98	78 Å²	78	69%	0.685	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	129.8	162.6	-171.5	0	0	0	0	107.2	T454	S452-T454 PolarHBondContact O-N 2.95Å
453	S	58.9	Low	82.1	Confident	45 Å²	45	74.2 Å²	74.2	32%	0.315	43%	0.425	S	S	.	.			trans	-65.9	127.2	163.1	66.3	0	0	0	0	107	P53 D54 K451	P53-S453 WeakPolarHBondContact O-CB 3.33Å; P53-S453 PolarHBondContact O-OG 3.15Å; D54-S453 WeakPolarHBondContact CA-OG 2.84Å; D54-S453 PolarHBondContact O-N 2.9Å; D54-S453 PolarHBondContact O-OG 3.2Å; K451-S453 PolarHBondContact O-N 3.11Å
454	T	45.6	Very low	81.3	Confident	208 Å²	208	75.6 Å²	75.6	100%	1.276	44%	0.435	S	S	*	.			trans	-69.2	0	171	47.9	0	0	0	0	111.3	S452	S452-T454 PolarHBondContact O-N 2.95Å

Retrieved 454 of 454 residues in 217.4 ms (Link to these results)

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