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N-acetylglucosamine-6-phosphate deacetylase

Hydrolyzes the N-glycolyl group from N-glycolylglucosamine 6-phosphate (GlcNGc-6-P) in the N-glycolylneuraminic acid (Neu5Gc) degradation pathway.

AlphaFold DB , UniProt , Accession A0A061I330, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Amdhd2, Length 409 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	36.2	Very low	57.4	Low	229 Å²	229	110.6 Å²	110.6	100%	1.128	62%	0.624	S	S	*	*				0	-19.3	0	-67.7	-172.3	-151.7	0	0	115.4
2	R	33.3	Very low	60.5	Low	239 Å²	239	101.4 Å²	101.4	90%	0.902	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-16.1	178.6	-72.6	-175.8	-178.5	-170.3	0.6	115.9
3	G	37.9	Very low	63.3	Low	56 Å²	56	97.1 Å²	97.1	58%	0.577	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-36	178.5	0	0	0	0	0	114.7	Q5 R6 A7	G3-Q5 PolarHBondContact O-N 3.29Å; G3-R6 PolarHBondContact O-N 3.43Å; G3-A7 PolarHBondContact O-N 2.98Å
4	G	42.3	Very low	65.7	Low	58 Å²	58	91.3 Å²	91.3	60%	0.598	51%	0.508	S	S	*	.	H	α-helix	trans	-67.8	-35.6	-174.1	0	0	0	0	0	114.5	A7	G4-A7 PolarHBondContact O-N 3.23Å
5	Q	41.1	Very low	67.9	Low	173 Å²	173	85.5 Å²	85.5	81%	0.808	48%	0.476	S	S	*	.	H	α-helix	trans	-73	-27.7	177.8	-81	178.8	-20.8	0	0	113.4	G3	G3-Q5 PolarHBondContact O-N 3.29Å
6	R	53.4	Low	69.8	Low	221 Å²	221	81.9 Å²	81.9	83%	0.834	46%	0.456	S	S	*	.	H	α-helix	trans	-73.4	-33.1	175.2	-104.1	-176.6	173.8	-170.1	-2.4	112.3	G3	G3-R6 PolarHBondContact O-N 3.43Å
7	A	60.7	Low	71.4	Confident	41 Å²	41	80.2 Å²	80.2	34%	0.339	45%	0.446	S	S	.	.	H	α-helix	trans	-71.5	-34.1	-178.6	0	0	0	0	0	113.3	G3 G4 G9 A10 R34	G3-A7 PolarHBondContact O-N 2.98Å; G4-A7 PolarHBondContact O-N 3.23Å; A7-G9 VanDerWaalsContact C-N 3.26Å; A7-G9 PolarHBondContact O-N 3.37Å; A7-A10 WeakPolarHBondContact O-CB 3.39Å; A7-A10 PolarHBondContact O-N 3.06Å; A7-R34 WeakPolarHBondContact O-CD 3.2Å; A7-R34 WeakPolarHBondContact O-CG 3.37Å
8	A	67.4	Low	72.9	Confident	56 Å²	56	75.8 Å²	75.8	46%	0.463	42%	0.422	S	S	.	.	H	α-helix	trans	-65.1	-27.8	179.7	0	0	0	0	0	113.5	R50	A8-R50 PolarHBondContact O-NH1 3.45Å
9	G	78.6	Confident	74.2	Confident	65 Å²	65	75.2 Å²	75.2	67%	0.67	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.8	178.1	0	0	0	0	0	115.1	A7	A7-G9 VanDerWaalsContact C-N 3.26Å; A7-G9 PolarHBondContact O-N 3.37Å
10	A	88.1	Confident	75.4	Confident	20 Å²	20	71.4 Å²	71.4	17%	0.165	39%	0.392	C	S	.	.	S	Bend	trans	-68.9	150.9	177.5	0	0	0	0	0	111.1	A7 R34	A7-A10 WeakPolarHBondContact O-CB 3.39Å; A7-A10 PolarHBondContact O-N 3.06Å; A10-R34 HydrophobicContact CB-CG 3.88Å
11	P	92.1	Very high	76.5	Confident	59 Å²	59	68.2 Å²	68.2	38%	0.383	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-62.3	142.5	175.3	26.8	-33.8	0	0	0	110.6	D53	P11-D53 WeakPolarHBondContact CA-OD2 3.43Å; P11-D53 HydrophobicContact CB-CB 4.2Å
12	V	95.2	Very high	79.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.7	172.7	178.3	0	0	0	0	108.2	W32 R34 L39 L44 D53 E54	V12-W32 HydrophobicContact CG1-CE3 3.73Å; V12-W32 HydrophobicContact CG1-CZ3 4.02Å; V12-R34 HydrophobicContact CG2-CB 4.46Å; V12-R34 HydrophobicContact CG2-CG 4.45Å; V12-L39 HydrophobicContact CG1-CD1 4.43Å; V12-L44 HydrophobicContact CG1-CD2 3.83Å; V12-L44 HydrophobicContact CG2-CD1 4.13Å; V12-D53 PolarHBondContact N-OD2 2.89Å; V12-D53 PolarHBondContact O-N 3.38Å; V12-E54 PolarHBondContact O-N 2.88Å
13	R	96.7	Very high	82.1	Confident	45 Å²	45	50.9 Å²	50.9	17%	0.17	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.7	173.7	-61.1	-171.8	172.2	151.5	6	110.3	F15 W32 V33 E54 G398 E399	R13-F15 HydrophobicContact CB-CE2 4.13Å; R13-W32 WeakPolarHBondContact O-CA 3.4Å; R13-V33 PolarHBondContact N-O 3.09Å; R13-V33 PolarHBondContact O-N 2.77Å; R13-E54 WeakPolarHBondContact CA-O 3.5Å; R13-E54 WeakPolarHBondContact CD-OE2 3.22Å; R13-E54 HydrophobicContact CG-CB 4.19Å; R13-E54 IonicContact CZ-OE2 3.57Å; R13-E54 IonicContact NE-OE2 2.8Å; R13-E54 PolarHBondContact NE-OE2 2.9Å; R13-E54 IonicContact NH2-OE2 3.31Å; R13-G398 PolarHBondContact NH1-O 3.36Å; R13-E399 IonicContact CZ-OE1 3.25Å; R13-E399 IonicContact CZ-OE2 3.46Å; R13-E399 IonicContact NH1-OE1 3.86Å; R13-E399 PolarHBondContact NH1-OE1 3.34Å; R13-E399 VanDerWaalsContact NH1-OE1 3.09Å; R13-E399 IonicContact NH1-OE2 3.93Å; R13-E399 PolarHBondContact NH1-OE2 3.2Å; R13-E399 IonicContact NH2-OE1 2.77Å; R13-E399 PolarHBondContact NH2-OE1 3.21Å; R13-E399 IonicContact NH2-OE2 3.56Å; R13-E399 PolarHBondContact NH2-OE2 2.86Å
14	Q	97.3	Very high	84.9	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.075	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.1	174.8	-179.8	-170.5	7.9	0	0	109.4	T16 D30 L31 W32 A52 E54 Q55 Q56	Q14-T16 HydrophobicContact CG-CG2 3.71Å; Q14-D30 HydrophobicContact CG-CB 4.15Å; Q14-D30 PolarHBondContact NE2-OD2 3.18Å; Q14-L31 WeakPolarHBondContact CA-O 3.35Å; Q14-W32 HydrophobicContact CB-CD2 4.17Å; Q14-W32 HydrophobicContact CB-CE3 3.9Å; Q14-W32 HydrophobicContact CB-CH2 4.06Å; Q14-W32 HydrophobicContact CB-CZ2 4.29Å; Q14-W32 HydrophobicContact CB-CZ3 3.86Å; Q14-W32 HydrophobicContact CG-CD2 4Å; Q14-W32 HydrophobicContact CG-CE3 4.17Å; Q14-W32 HydrophobicContact CG-CH2 3.8Å; Q14-W32 HydrophobicContact CG-CZ2 3.59Å; Q14-W32 HydrophobicContact CG-CZ3 4.09Å; Q14-A52 HydrophobicContact CB-CB 3.6Å; Q14-E54 PolarHBondContact N-O 3.11Å; Q14-Q55 HydrophobicContact CB-CG 4.24Å; Q14-Q55 CarbonylContact O-C 3.55Å; Q14-Q55 WeakPolarHBondContact O-CA 3.46Å; Q14-Q56 PolarHBondContact O-N 2.93Å
15	F	98.1	Very high	87.5	Confident	5 Å²	5	50 Å²	50	2%	0.022	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.9	173	-62.4	-92.3	0	0	0	108	R13 D30 L31 V33 Q56 L63 F382 Y395	R13-F15 HydrophobicContact CB-CE2 4.13Å; F15-D30 CarbonylContact O-C 3.46Å; F15-D30 VanDerWaalsContact O-CA 3.23Å; F15-D30 WeakPolarHBondContact O-CA 3.38Å; F15-D30 WeakPolarHBondContact O-CB 3.49Å; F15-L31 HydrophobicContact CB-CB 4.12Å; F15-L31 HydrophobicContact CD2-CB 4.38Å; F15-L31 PolarHBondContact N-O 2.76Å; F15-L31 PolarHBondContact O-N 3.08Å; F15-V33 HydrophobicContact CD2-CG2 4.31Å; F15-V33 HydrophobicContact CE2-CB 4.44Å; F15-V33 HydrophobicContact CE2-CG2 3.98Å; F15-Q56 CarbonylContact C-O 3.52Å; F15-Q56 WeakPolarHBondContact CA-O 3.34Å; F15-Q56 HydrophobicContact CD1-CB 3.83Å; F15-Q56 HydrophobicContact CD1-CG 3.93Å; F15-Q56 HydrophobicContact CE1-CB 4.04Å; F15-Q56 HydrophobicContact CE1-CG 4.1Å; F15-L63 HydrophobicContact CB-CD2 3.98Å; F15-L63 HydrophobicContact CG-CD2 4.36Å; F15-F382 HydrophobicContact CD1-CE2 4.44Å; F15-F382 HydrophobicContact CD1-CZ 4.3Å; F15-F382 HydrophobicContact CD2-CZ 4.09Å; F15-F382 HydrophobicContact CE1-CE2 4.28Å; F15-F382 AromaticContact CE1-CZ 3.9Å; F15-F382 HydrophobicContact CE1-CZ 3.9Å; F15-F382 HydrophobicContact CE2-CE1 4.29Å; F15-F382 AromaticContact CE2-CZ 3.66Å; F15-F382 HydrophobicContact CE2-CZ 3.66Å; F15-F382 HydrophobicContact CG-CZ 4.4Å; F15-F382 HydrophobicContact CZ-CE1 4.47Å; F15-F382 HydrophobicContact CZ-CE2 4.4Å; F15-F382 AromaticContact CZ-CZ 3.57Å; F15-F382 HydrophobicContact CZ-CZ 3.57Å; F15-Y395 HydrophobicContact CE1-CD1 4.36Å; F15-Y395 AromaticContact CE1-CE1 3.68Å; F15-Y395 HydrophobicContact CE1-CE1 3.68Å; F15-Y395 HydrophobicContact CE1-CE2 4.31Å; F15-Y395 AromaticContact CE1-CZ 3.65Å; F15-Y395 HydrophobicContact CZ-CD1 4.09Å; F15-Y395 AromaticContact CZ-CE1 3.72Å; F15-Y395 HydrophobicContact CZ-CE1 3.72Å
16	T	98.1	Very high	90.2	Very high	27 Å²	27	43.9 Å²	43.9	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	164	-173.4	62	0	0	0	0	112	Q14 C18 D30 Q56 C58	Q14-T16 HydrophobicContact CG-CG2 3.71Å; T16-C18 VanDerWaalsContact C-N 3.32Å; T16-C18 PolarHBondContact O-N 3.42Å; T16-D30 VanDerWaalsContact CA-OD1 3.32Å; T16-D30 WeakPolarHBondContact CA-OD1 3.5Å; T16-Q56 PolarHBondContact N-O 3.41Å; T16-C58 WeakPolarHBondContact O-CB 3.26Å; T16-C58 PolarHBondContact O-N 3.46Å
17	N	97.4	Very high	92.3	Very high	53 Å²	53	36 Å²	36	28%	0.283	24%	0.244	S	C	.	.	S	Bend	trans	52.4	50.7	176.7	-177.8	36.8	0	0	0	111.4	R28 D57 G59 G60	N17-R28 PolarHBondContact OD1-NH2 3.49Å; N17-R28 VanDerWaalsContact OD1-NH2 3.16Å; N17-D57 WeakPolarHBondContact CB-OD1 3.47Å; N17-D57 PolarHBondContact ND2-OD1 3.33Å; N17-G59 WeakPolarHBondContact ND2-CA 3.43Å; N17-G60 PolarHBondContact ND2-N 3.25Å; N17-G60 WeakPolarHBondContact O-CA 3.33Å; N17-G60 PolarHBondContact O-N 3.35Å
18	C	97.8	Very high	94.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	26%	0.263	C	S	.	.			trans	-125	169.5	177.7	59.4	0	0	0	0	112.1	T16 E29 C58 C61 L63	T16-C18 VanDerWaalsContact C-N 3.32Å; T16-C18 PolarHBondContact O-N 3.42Å; C18-E29 PolarHBondContact SG-O 3.24Å; C18-C58 HydrophobicContact CB-CB 3.7Å; C18-C61 WeakPolarHBondContact CA-O 3.19Å; C18-L63 HydrophobicContact CB-CD1 3.78Å; C18-L63 HydrophobicContact CB-CD2 4.29Å; C18-L63 HydrophobicContact CB-CG 4.48Å
19	R	98.4	Very high	95.4	Very high	64 Å²	64	44.8 Å²	44.8	24%	0.242	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	109.7	168	-70.1	168.8	-70.1	167.7	-0.8	108.5	L26 L27 G60 C61 I62 L63 D387	R19-L26 HydrophobicContact CB-CB 4.42Å; R19-L26 HydrophobicContact CB-CD2 4.48Å; R19-L27 CarbonylContact C-O 3.6Å; R19-L27 VanDerWaalsContact CA-O 3.3Å; R19-L27 WeakPolarHBondContact CA-O 3.43Å; R19-G60 VanDerWaalsContact CZ-O 3.25Å; R19-G60 PolarHBondContact NE-O 3.16Å; R19-G60 PolarHBondContact NH2-O 3.02Å; R19-C61 PolarHBondContact N-O 2.87Å; R19-I62 HydrophobicContact CB-CG1 4.39Å; R19-I62 CarbonylContact O-C 3.59Å; R19-I62 VanDerWaalsContact O-CA 3.29Å; R19-I62 WeakPolarHBondContact O-CA 3.43Å; R19-L63 PolarHBondContact O-N 2.77Å; R19-D387 IonicContact CZ-OD1 3Å; R19-D387 IonicContact NH1-OD1 3.62Å; R19-D387 PolarHBondContact NH1-OD1 2.66Å; R19-D387 IonicContact NH2-OD1 2.77Å; R19-D387 PolarHBondContact NH2-OD1 3.45Å; R19-D387 IonicContact NH2-OD2 2.64Å
20	I	98.3	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.6	-174.3	-58.4	171.6	0	0	0	109	R22 L26 L27 E29 L31 L63 L374	I20-R22 HydrophobicContact CG2-CB 4.35Å; I20-R22 PolarHBondContact O-N 3.21Å; I20-L26 WeakPolarHBondContact O-CA 3.48Å; I20-L27 PolarHBondContact N-O 3.26Å; I20-L27 PolarHBondContact O-N 2.72Å; I20-E29 HydrophobicContact CD1-CB 4.09Å; I20-L31 HydrophobicContact CD1-CB 3.73Å; I20-L31 HydrophobicContact CD1-CD1 4.04Å; I20-L31 HydrophobicContact CG1-CB 4.44Å; I20-L31 HydrophobicContact CG2-CD1 4.34Å; I20-L63 WeakPolarHBondContact CA-O 3.33Å; I20-L63 HydrophobicContact CG1-CB 4.4Å; I20-L374 HydrophobicContact CG2-CB 4.05Å; I20-L374 HydrophobicContact CG2-CD1 3.69Å
21	L	98.3	Very high	96.7	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	105.7	168.8	178.8	57.9	0	0	0	109.7	T25 L26 L63 A64 E351 L354 E355	L21-T25 WeakPolarHBondContact CA-O 3.46Å; L21-L26 HydrophobicContact CB-CD2 3.97Å; L21-L63 PolarHBondContact N-O 3.16Å; L21-A64 HydrophobicContact CD2-CB 4.45Å; L21-E351 HydrophobicContact CD1-CB 3.73Å; L21-E351 HydrophobicContact CD1-CG 3.64Å; L21-L354 HydrophobicContact CD2-CB 3.54Å; L21-L354 HydrophobicContact CD2-CD1 4.04Å; L21-L354 HydrophobicContact CD2-CG 4.46Å; L21-E355 HydrophobicContact CD2-CG 4.31Å
22	R	95.3	Very high	96.9	Very high	30 Å²	30	41.3 Å²	41.3	11%	0.113	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.2	176.9	-170.6	-174.4	-72	150	-0.6	109.9	I20 G24 T25 L27 E29 L374 D375	I20-R22 HydrophobicContact CG2-CB 4.35Å; I20-R22 PolarHBondContact O-N 3.21Å; R22-G24 PolarHBondContact O-N 3.38Å; R22-T25 PolarHBondContact N-O 3.21Å; R22-T25 PolarHBondContact O-N 3.34Å; R22-T25 VanDerWaalsContact O-N 3.16Å; R22-T25 VanDerWaalsContact O-O 3.08Å; R22-T25 PolarHBondContact O-OG1 3.46Å; R22-L27 HydrophobicContact CB-CD1 4.32Å; R22-E29 IonicContact NH1-OE2 3.58Å; R22-E29 PolarHBondContact NH1-OE2 2.99Å; R22-L374 VanDerWaalsContact CZ-O 3.28Å; R22-L374 PolarHBondContact NE-O 3.48Å; R22-L374 PolarHBondContact NH2-O 3.37Å; R22-D375 VanDerWaalsContact CG-OD1 3.24Å; R22-D375 WeakPolarHBondContact CG-OD1 3.32Å
23	G	92.7	Very high	97	Very high	73 Å²	73	41.5 Å²	41.5	75%	0.753	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	32.4	179.5	0	0	0	0	0	114.3	T25	G23-T25 VanDerWaalsContact C-N 3.32Å; G23-T25 PolarHBondContact O-N 3.35Å
24	G	94.8	Very high	97	Very high	31 Å²	31	41 Å²	41	32%	0.32	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	15.5	-179.2	0	0	0	0	0	115.5	R22 E355	R22-G24 PolarHBondContact O-N 3.38Å; G24-E355 VanDerWaalsContact CA-OE1 3.22Å; G24-E355 WeakPolarHBondContact CA-OE1 3.47Å
25	T	97.5	Very high	96.8	Very high	65 Å²	65	42.5 Å²	42.5	40%	0.399	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.3	-179.3	61.2	0	0	0	0	111.9	L21 R22 G23 L27	L21-T25 WeakPolarHBondContact CA-O 3.46Å; R22-T25 PolarHBondContact N-O 3.21Å; R22-T25 PolarHBondContact O-N 3.34Å; R22-T25 VanDerWaalsContact O-N 3.16Å; R22-T25 VanDerWaalsContact O-O 3.08Å; R22-T25 PolarHBondContact O-OG1 3.46Å; G23-T25 VanDerWaalsContact C-N 3.32Å; G23-T25 PolarHBondContact O-N 3.35Å; T25-L27 WeakPolarHBondContact OG1-CD2 2.99Å
26	L	98.3	Very high	96.7	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.236	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	110	168.4	-70.4	175.1	0	0	0	110.9	R19 I20 L21 I62 V350 E351	R19-L26 HydrophobicContact CB-CB 4.42Å; R19-L26 HydrophobicContact CB-CD2 4.48Å; I20-L26 WeakPolarHBondContact O-CA 3.48Å; L21-L26 HydrophobicContact CB-CD2 3.97Å; L26-I62 HydrophobicContact CD1-CD1 4.13Å; L26-I62 HydrophobicContact CD1-CG1 4.32Å; L26-I62 HydrophobicContact CD2-CG1 4.45Å; L26-I62 HydrophobicContact CD2-CG2 3.68Å; L26-V350 HydrophobicContact CD1-CG1 4.24Å; L26-E351 HydrophobicContact CG-CG 3.98Å
27	L	97.8	Very high	96.7	Very high	56 Å²	56	46.5 Å²	46.5	29%	0.293	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135	-178.6	-58.5	176.9	0	0	0	110.9	R19 I20 R22 T25 E29	R19-L27 CarbonylContact C-O 3.6Å; R19-L27 VanDerWaalsContact CA-O 3.3Å; R19-L27 WeakPolarHBondContact CA-O 3.43Å; I20-L27 PolarHBondContact N-O 3.26Å; I20-L27 PolarHBondContact O-N 2.72Å; R22-L27 HydrophobicContact CB-CD1 4.32Å; T25-L27 WeakPolarHBondContact OG1-CD2 2.99Å; L27-E29 HydrophobicContact CB-CG 4.23Å; L27-E29 PolarHBondContact O-N 3.32Å
28	R	97.3	Very high	96.7	Very high	195 Å²	195	44.1 Å²	44.1	74%	0.736	24%	0.241	S	C	*	.			trans	-86.9	88	176.2	-157.6	176.5	-170.4	-139.7	-2.2	109.9	N17	N17-R28 PolarHBondContact OD1-NH2 3.49Å; N17-R28 VanDerWaalsContact OD1-NH2 3.16Å
29	E	95.2	Very high	96.6	Very high	86 Å²	86	45.2 Å²	45.2	40%	0.402	25%	0.247	S	C	.	.			trans	-141.1	172.3	-175.1	-67.7	-179	-174.3	0	0	109.9	C18 I20 R22 L27	C18-E29 PolarHBondContact SG-O 3.24Å; I20-E29 HydrophobicContact CD1-CB 4.09Å; R22-E29 IonicContact NH1-OE2 3.58Å; R22-E29 PolarHBondContact NH1-OE2 2.99Å; L27-E29 HydrophobicContact CB-CG 4.23Å; L27-E29 PolarHBondContact O-N 3.32Å
30	D	96.3	Very high	96.4	Very high	58 Å²	58	44 Å²	44	31%	0.31	25%	0.245	S	C	.	.			trans	-96.2	139.7	173.1	-64.6	-16.3	0	0	0	110.6	Q14 F15 T16	Q14-D30 HydrophobicContact CG-CB 4.15Å; Q14-D30 PolarHBondContact NE2-OD2 3.18Å; F15-D30 CarbonylContact O-C 3.46Å; F15-D30 VanDerWaalsContact O-CA 3.23Å; F15-D30 WeakPolarHBondContact O-CA 3.38Å; F15-D30 WeakPolarHBondContact O-CB 3.49Å; T16-D30 VanDerWaalsContact CA-OD1 3.32Å; T16-D30 WeakPolarHBondContact CA-OD1 3.5Å
31	L	97.7	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.3	174.8	-167.6	72.7	0	0	0	109.4	Q14 F15 I20 V33 I38 L63 L374 F382	Q14-L31 WeakPolarHBondContact CA-O 3.35Å; F15-L31 HydrophobicContact CB-CB 4.12Å; F15-L31 HydrophobicContact CD2-CB 4.38Å; F15-L31 PolarHBondContact N-O 2.76Å; F15-L31 PolarHBondContact O-N 3.08Å; I20-L31 HydrophobicContact CD1-CB 3.73Å; I20-L31 HydrophobicContact CD1-CD1 4.04Å; I20-L31 HydrophobicContact CG1-CB 4.44Å; I20-L31 HydrophobicContact CG2-CD1 4.34Å; L31-V33 HydrophobicContact CD2-CG2 4.28Å; L31-V33 HydrophobicContact CG-CG2 4.3Å; L31-I38 HydrophobicContact CD1-CD1 3.93Å; L31-I38 HydrophobicContact CD1-CG2 3.85Å; L31-I38 HydrophobicContact CD2-CD1 3.89Å; L31-I38 HydrophobicContact CG-CD1 4.07Å; L31-L63 HydrophobicContact CB-CD2 4.02Å; L31-L63 HydrophobicContact CD2-CD2 3.86Å; L31-L374 HydrophobicContact CD1-CB 4.39Å; L31-F382 HydrophobicContact CD2-CD1 3.93Å; L31-F382 HydrophobicContact CD2-CD2 4.47Å; L31-F382 HydrophobicContact CD2-CE1 3.91Å; L31-F382 HydrophobicContact CD2-CE2 4.44Å; L31-F382 HydrophobicContact CD2-CG 4.22Å; L31-F382 HydrophobicContact CD2-CZ 4.17Å
32	W	97.5	Very high	95.3	Very high	13 Å²	13	51.6 Å²	51.6	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	179.7	-65.3	80	0	0	0	110.1	V12 R13 Q14 I38 L39 P41 L44 F45 A52	V12-W32 HydrophobicContact CG1-CE3 3.73Å; V12-W32 HydrophobicContact CG1-CZ3 4.02Å; R13-W32 WeakPolarHBondContact O-CA 3.4Å; Q14-W32 HydrophobicContact CB-CD2 4.17Å; Q14-W32 HydrophobicContact CB-CE3 3.9Å; Q14-W32 HydrophobicContact CB-CH2 4.06Å; Q14-W32 HydrophobicContact CB-CZ2 4.29Å; Q14-W32 HydrophobicContact CB-CZ3 3.86Å; Q14-W32 HydrophobicContact CG-CD2 4Å; Q14-W32 HydrophobicContact CG-CE3 4.17Å; Q14-W32 HydrophobicContact CG-CH2 3.8Å; Q14-W32 HydrophobicContact CG-CZ2 3.59Å; Q14-W32 HydrophobicContact CG-CZ3 4.09Å; W32-I38 CarbonylContact O-C 3.43Å; W32-I38 WeakPolarHBondContact O-CA 3.24Å; W32-L39 HydrophobicContact CB-CB 3.89Å; W32-L39 PolarHBondContact O-N 2.89Å; W32-P41 HydrophobicContact CG-CB 4.27Å; W32-L44 HydrophobicContact CD2-CD2 4.14Å; W32-L44 HydrophobicContact CE3-CD2 3.37Å; W32-L44 HydrophobicContact CH2-CD2 4.45Å; W32-L44 HydrophobicContact CZ3-CD2 3.55Å; W32-F45 HydrophobicContact CH2-CE1 4.16Å; W32-F45 HydrophobicContact CH2-CE2 4.24Å; W32-F45 AromaticContact CH2-CZ 3.46Å; W32-F45 HydrophobicContact CH2-CZ 3.46Å; W32-F45 VanDerWaalsContact CH2-CZ 3.46Å; W32-F45 HydrophobicContact CZ2-CE1 4.48Å; W32-F45 AromaticContact CZ2-CE2 3.82Å; W32-F45 HydrophobicContact CZ2-CE2 3.82Å; W32-F45 AromaticContact CZ2-CZ 3.39Å; W32-F45 HydrophobicContact CZ2-CZ 3.39Å; W32-F45 HydrophobicContact CZ3-CZ 4.37Å; W32-A52 HydrophobicContact CH2-CB 4.21Å; W32-A52 HydrophobicContact CZ3-CB 3.75Å
33	V	97.3	Very high	94.8	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.2	-175.3	-178.4	0	0	0	0	110.8	R13 F15 L31 R37 I38 A380 F382	R13-V33 PolarHBondContact N-O 3.09Å; R13-V33 PolarHBondContact O-N 2.77Å; F15-V33 HydrophobicContact CD2-CG2 4.31Å; F15-V33 HydrophobicContact CE2-CB 4.44Å; F15-V33 HydrophobicContact CE2-CG2 3.98Å; L31-V33 HydrophobicContact CD2-CG2 4.28Å; L31-V33 HydrophobicContact CG-CG2 4.3Å; V33-R37 WeakPolarHBondContact CA-O 3.08Å; V33-I38 HydrophobicContact CG2-CD1 3.93Å; V33-A380 HydrophobicContact CB-CB 4.36Å; V33-A380 HydrophobicContact CG1-CB 3.42Å; V33-A380 VanDerWaalsContact CG1-CB 3.42Å; V33-A380 HydrophobicContact CG2-CB 3.98Å; V33-F382 HydrophobicContact CG2-CE1 4.34Å
34	R	95.1	Very high	94.3	Very high	33 Å²	33	52.1 Å²	52.1	13%	0.125	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	135.1	170.5	178.7	177.5	58.2	-171.9	-3.7	110.7	A7 A10 V12 G36 R37 L39 E48	A7-R34 WeakPolarHBondContact O-CD 3.2Å; A7-R34 WeakPolarHBondContact O-CG 3.37Å; A10-R34 HydrophobicContact CB-CG 3.88Å; V12-R34 HydrophobicContact CG2-CB 4.46Å; V12-R34 HydrophobicContact CG2-CG 4.45Å; R34-G36 PolarHBondContact O-N 3.03Å; R34-R37 PolarHBondContact N-O 2.84Å; R34-R37 PolarHBondContact O-N 3.18Å; R34-R37 VanDerWaalsContact O-N 3.08Å; R34-L39 HydrophobicContact CB-CD1 3.49Å; R34-L39 VanDerWaalsContact CB-CD1 3.49Å; R34-L39 HydrophobicContact CB-CD2 4.09Å; R34-L39 HydrophobicContact CB-CG 3.89Å; R34-E48 IonicContact CZ-OE1 3.62Å; R34-E48 IonicContact CZ-OE2 3.35Å; R34-E48 VanDerWaalsContact NH1-CD 3.34Å; R34-E48 IonicContact NH1-OE1 2.66Å; R34-E48 PolarHBondContact NH1-OE1 2.83Å; R34-E48 IonicContact NH1-OE2 3.76Å; R34-E48 PolarHBondContact NH1-OE2 2.84Å; R34-E48 IonicContact NH2-OE1 3.71Å; R34-E48 PolarHBondContact NH2-OE1 3.08Å; R34-E48 IonicContact NH2-OE2 3.32Å
35	G	94.1	Very high	93.7	Very high	49 Å²	49	54.4 Å²	54.4	51%	0.505	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	35.7	174.5	0	0	0	0	0	113.3
36	G	96.1	Very high	93	Very high	11 Å²	11	59.1 Å²	59.1	11%	0.113	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	8.9	-179.8	0	0	0	0	0	116.7	R34 A380 S397	R34-G36 PolarHBondContact O-N 3.03Å; G36-A380 PolarHBondContact O-N 3.45Å; G36-S397 VanDerWaalsContact CA-O 3.26Å; G36-S397 WeakPolarHBondContact CA-O 3.43Å
37	R	97.7	Very high	92.3	Very high	104 Å²	104	63.9 Å²	63.9	39%	0.392	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.7	-177.4	-61.8	-68.2	-176.3	178	-18.4	112	V33 R34 G377 A378 D379	V33-R37 WeakPolarHBondContact CA-O 3.08Å; R34-R37 PolarHBondContact N-O 2.84Å; R34-R37 PolarHBondContact O-N 3.18Å; R34-R37 VanDerWaalsContact O-N 3.08Å; R37-G377 WeakPolarHBondContact CD-O 3.16Å; R37-G377 PolarHBondContact NH1-O 3.09Å; R37-G377 VanDerWaalsContact NH1-O 3.09Å; R37-A378 WeakPolarHBondContact CA-O 3.43Å; R37-A378 WeakPolarHBondContact CD-O 3.34Å; R37-D379 IonicContact CZ-OD1 2.95Å; R37-D379 IonicContact NE-OD1 2.76Å; R37-D379 IonicContact NH1-OD1 3.95Å; R37-D379 PolarHBondContact NH1-OD1 3.15Å; R37-D379 IonicContact NH2-OD1 3.71Å; R37-D379 PolarHBondContact NH2-OD1 3.34Å
38	I	97.8	Very high	91.6	Very high	3 Å²	3	65 Å²	65	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129	167.8	-53.6	-53.8	0	0	0	108.8	L31 W32 V33 L374 D375 F376 G377 A378 A380	L31-I38 HydrophobicContact CD1-CD1 3.93Å; L31-I38 HydrophobicContact CD1-CG2 3.85Å; L31-I38 HydrophobicContact CD2-CD1 3.89Å; L31-I38 HydrophobicContact CG-CD1 4.07Å; W32-I38 CarbonylContact O-C 3.43Å; W32-I38 WeakPolarHBondContact O-CA 3.24Å; V33-I38 HydrophobicContact CG2-CD1 3.93Å; I38-L374 HydrophobicContact CD1-CD2 4.41Å; I38-D375 WeakPolarHBondContact CB-O 3.44Å; I38-F376 HydrophobicContact CG2-CD1 4.12Å; I38-G377 PolarHBondContact O-N 2.8Å; I38-A378 PolarHBondContact N-O 3.25Å; I38-A380 HydrophobicContact CD1-CB 3.67Å; I38-A380 HydrophobicContact CG1-CB 4.47Å
39	L	95.7	Very high	90.9	Very high	25 Å²	25	66.1 Å²	66.1	13%	0.131	31%	0.311	C	S	.	.			trans	-97.7	147.5	-179.8	-68	-174	0	0	0	112.1	V12 W32 R34 P41 L44 F376	V12-L39 HydrophobicContact CG1-CD1 4.43Å; W32-L39 HydrophobicContact CB-CB 3.89Å; W32-L39 PolarHBondContact O-N 2.89Å; R34-L39 HydrophobicContact CB-CD1 3.49Å; R34-L39 VanDerWaalsContact CB-CD1 3.49Å; R34-L39 HydrophobicContact CB-CD2 4.09Å; R34-L39 HydrophobicContact CB-CG 3.89Å; L39-P41 WeakPolarHBondContact O-CD 3.32Å; L39-L44 HydrophobicContact CD1-CD1 4.38Å; L39-F376 VanDerWaalsContact C-CD1 3.48Å; L39-F376 WeakPolarHBondContact O-CD1 3.21Å; L39-F376 VanDerWaalsContact O-CE1 3.24Å; L39-F376 WeakPolarHBondContact O-CE1 3.47Å
40	D	93.2	Very high	90.3	Very high	37 Å²	37	65.5 Å²	65.5	20%	0.198	31%	0.305	C	S	.	.			trans	-78.7	113.5	162.5	-178.4	-11.9	0	0	0	109	E42 K43 L44 F376	D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.81Å; D40-E42 WeakPolarHBondContact OD1-CB 3.24Å; D40-E42 PolarHBondContact OD1-N 3.31Å; D40-K43 HydrophobicContact CB-CD 4.33Å; D40-K43 HydrophobicContact CB-CG 4.32Å; D40-K43 PolarHBondContact O-N 2.73Å; D40-L44 PolarHBondContact O-N 2.83Å; D40-F376 HydrophobicContact CB-CB 4.14Å; D40-F376 HydrophobicContact CB-CD1 4.16Å; D40-F376 HydrophobicContact CB-CD2 3.84Å; D40-F376 HydrophobicContact CB-CE2 4.24Å; D40-F376 HydrophobicContact CB-CG 3.79Å
41	P	88.3	Confident	89.8	Confident	33 Å²	33	68.8 Å²	68.8	21%	0.214	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-30.6	-178.7	25.2	-32.2	0	0	0	112.4	W32 L39 K43 L44 F45	W32-P41 HydrophobicContact CG-CB 4.27Å; L39-P41 WeakPolarHBondContact O-CD 3.32Å; P41-K43 VanDerWaalsContact C-N 3.34Å; P41-K43 PolarHBondContact O-N 3Å; P41-L44 WeakPolarHBondContact O-CB 3.46Å; P41-L44 PolarHBondContact O-N 2.64Å; P41-F45 HydrophobicContact CB-CD2 4.07Å; P41-F45 HydrophobicContact CB-CE2 3.88Å; P41-F45 WeakPolarHBondContact O-CD2 3.23Å; P41-F45 PolarHBondContact O-N 2.89Å
42	E	86.6	Confident	89.5	Confident	133 Å²	133	69.8 Å²	69.8	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-61.4	-45.4	-179.6	-67.7	-169.9	168.5	0	0	110.9	D40 L44 F45 F46	D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.81Å; D40-E42 WeakPolarHBondContact OD1-CB 3.24Å; D40-E42 PolarHBondContact OD1-N 3.31Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.97Å; E42-F45 PolarHBondContact O-N 2.87Å; E42-F46 HydrophobicContact CB-CD2 4.27Å; E42-F46 WeakPolarHBondContact O-CB 3.43Å; E42-F46 VanDerWaalsContact O-CD2 3.26Å; E42-F46 WeakPolarHBondContact O-CD2 3.26Å; E42-F46 PolarHBondContact O-N 2.86Å
43	K	83.4	Confident	89.3	Confident	110 Å²	110	73.3 Å²	73.3	48%	0.478	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-42.2	176.7	-64.9	-175.6	-175.7	175.9	0	111.8	D40 P41 F45 E47 E48	D40-K43 HydrophobicContact CB-CD 4.33Å; D40-K43 HydrophobicContact CB-CG 4.32Å; D40-K43 PolarHBondContact O-N 2.73Å; P41-K43 VanDerWaalsContact C-N 3.34Å; P41-K43 PolarHBondContact O-N 3Å; K43-F45 PolarHBondContact O-N 3.07Å; K43-E47 WeakPolarHBondContact O-CA 3.29Å; K43-E47 WeakPolarHBondContact O-CB 3.44Å; K43-E47 PolarHBondContact O-N 2.9Å; K43-E48 PolarHBondContact O-N 2.66Å
44	L	83.3	Confident	89.2	Confident	3 Å²	3	77.5 Å²	77.5	2%	0.016	37%	0.368	C	S	.	.	I	π-helix	trans	-60	-45.5	178	-176.2	71.6	0	0	0	111.8	V12 W32 L39 D40 P41 E42 E48 R49 R50	V12-L44 HydrophobicContact CG1-CD2 3.83Å; V12-L44 HydrophobicContact CG2-CD1 4.13Å; W32-L44 HydrophobicContact CD2-CD2 4.14Å; W32-L44 HydrophobicContact CE3-CD2 3.37Å; W32-L44 HydrophobicContact CH2-CD2 4.45Å; W32-L44 HydrophobicContact CZ3-CD2 3.55Å; L39-L44 HydrophobicContact CD1-CD1 4.38Å; D40-L44 PolarHBondContact O-N 2.83Å; P41-L44 WeakPolarHBondContact O-CB 3.46Å; P41-L44 PolarHBondContact O-N 2.64Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.97Å; L44-E48 CarbonylContact O-C 3.56Å; L44-E48 WeakPolarHBondContact O-CB 3.32Å; L44-E48 PolarHBondContact O-N 3.16Å; L44-R49 PolarHBondContact O-N 3Å; L44-R50 HydrophobicContact CD1-CB 4.07Å; L44-R50 PolarHBondContact O-N 3.43Å
45	F	82.8	Confident	89.3	Confident	79 Å²	79	82 Å²	82	35%	0.346	39%	0.39	S	S	.	.	I	π-helix	trans	-76.8	-47.1	-177.2	-71.4	-61.2	0	0	0	113.1	W32 P41 E42 K43 R49 M51	W32-F45 HydrophobicContact CH2-CE1 4.16Å; W32-F45 HydrophobicContact CH2-CE2 4.24Å; W32-F45 AromaticContact CH2-CZ 3.46Å; W32-F45 HydrophobicContact CH2-CZ 3.46Å; W32-F45 VanDerWaalsContact CH2-CZ 3.46Å; W32-F45 HydrophobicContact CZ2-CE1 4.48Å; W32-F45 AromaticContact CZ2-CE2 3.82Å; W32-F45 HydrophobicContact CZ2-CE2 3.82Å; W32-F45 AromaticContact CZ2-CZ 3.39Å; W32-F45 HydrophobicContact CZ2-CZ 3.39Å; W32-F45 HydrophobicContact CZ3-CZ 4.37Å; P41-F45 HydrophobicContact CB-CD2 4.07Å; P41-F45 HydrophobicContact CB-CE2 3.88Å; P41-F45 WeakPolarHBondContact O-CD2 3.23Å; P41-F45 PolarHBondContact O-N 2.89Å; E42-F45 PolarHBondContact O-N 2.87Å; K43-F45 PolarHBondContact O-N 3.07Å; F45-R49 WeakPolarHBondContact O-CA 3.36Å; F45-R49 PolarHBondContact O-N 2.9Å; F45-M51 HydrophobicContact CE1-SD 3.99Å
46	F	81.6	Confident	89.4	Confident	165 Å²	165	84.4 Å²	84.4	72%	0.724	39%	0.388	S	S	*	.	I	π-helix	trans	-84.8	-37	-172.1	-69.7	-70.3	0	0	0	113.3	E42	E42-F46 HydrophobicContact CB-CD2 4.27Å; E42-F46 WeakPolarHBondContact O-CB 3.43Å; E42-F46 VanDerWaalsContact O-CD2 3.26Å; E42-F46 WeakPolarHBondContact O-CD2 3.26Å; E42-F46 PolarHBondContact O-N 2.86Å
47	E	83.8	Confident	89.4	Confident	144 Å²	144	88.4 Å²	88.4	67%	0.673	41%	0.407	S	S	*	.	I	π-helix	trans	-91	-47.2	-177.5	-53.2	179.9	-177.6	0	0	111.3	K43	K43-E47 WeakPolarHBondContact O-CA 3.29Å; K43-E47 WeakPolarHBondContact O-CB 3.44Å; K43-E47 PolarHBondContact O-N 2.9Å
48	E	82.8	Confident	89.4	Confident	79 Å²	79	84 Å²	84	37%	0.369	39%	0.392	S	S	.	.	I	π-helix	trans	-93.2	-18.6	-174.6	-56	-173.2	-145.7	0	0	114	R34 K43 L44 R50	R34-E48 IonicContact CZ-OE1 3.62Å; R34-E48 IonicContact CZ-OE2 3.35Å; R34-E48 VanDerWaalsContact NH1-CD 3.34Å; R34-E48 IonicContact NH1-OE1 2.66Å; R34-E48 PolarHBondContact NH1-OE1 2.83Å; R34-E48 IonicContact NH1-OE2 3.76Å; R34-E48 PolarHBondContact NH1-OE2 2.84Å; R34-E48 IonicContact NH2-OE1 3.71Å; R34-E48 PolarHBondContact NH2-OE1 3.08Å; R34-E48 IonicContact NH2-OE2 3.32Å; K43-E48 PolarHBondContact O-N 2.66Å; L44-E48 CarbonylContact O-C 3.56Å; L44-E48 WeakPolarHBondContact O-CB 3.32Å; L44-E48 PolarHBondContact O-N 3.16Å; E48-R50 HydrophobicContact CB-CB 4.28Å; E48-R50 PolarHBondContact O-N 2.82Å
49	R	82.4	Confident	89.3	Confident	220 Å²	220	86.7 Å²	86.7	83%	0.83	42%	0.421	S	S	*	.			trans	50.9	39.5	-176.9	-59.3	-178.8	177.7	-178	-1.6	112.8	L44 F45	L44-R49 PolarHBondContact O-N 3Å; F45-R49 WeakPolarHBondContact O-CA 3.36Å; F45-R49 PolarHBondContact O-N 2.9Å
50	R	82.6	Confident	89.4	Confident	73 Å²	73	86.5 Å²	86.5	28%	0.275	42%	0.424	S	S	.	.			trans	-110.9	145.2	-174.4	-164.5	170	172.6	-176.1	-7	110.7	A8 L44 E48 D53	A8-R50 PolarHBondContact O-NH1 3.45Å; L44-R50 HydrophobicContact CD1-CB 4.07Å; L44-R50 PolarHBondContact O-N 3.43Å; E48-R50 HydrophobicContact CB-CB 4.28Å; E48-R50 PolarHBondContact O-N 2.82Å; R50-D53 IonicContact CZ-OD2 3.41Å; R50-D53 IonicContact NE-OD2 2.72Å; R50-D53 IonicContact NH2-OD1 3.21Å; R50-D53 IonicContact NH2-OD2 2.74Å; R50-D53 PolarHBondContact NH2-OD2 2.97Å
51	M	86.6	Confident	89.6	Confident	126 Å²	126	85.9 Å²	85.9	62%	0.621	42%	0.423	S	S	*	.			trans	-100.1	169.8	172.8	-61.1	-67.2	-71.6	0	0	109.9	F45 D53	F45-M51 HydrophobicContact CE1-SD 3.99Å; M51-D53 PolarHBondContact O-N 2.84Å
52	A	91.5	Very high	90.1	Very high	21 Å²	21	84.4 Å²	84.4	17%	0.174	41%	0.413	C	S	.	.			trans	-60.7	135.6	172.1	0	0	0	0	0	110.8	Q14 W32 Q55	Q14-A52 HydrophobicContact CB-CB 3.6Å; W32-A52 HydrophobicContact CH2-CB 4.21Å; W32-A52 HydrophobicContact CZ3-CB 3.75Å; A52-Q55 HydrophobicContact CB-CG 3.87Å
53	D	93.8	Very high	90.7	Very high	88 Å²	88	78.1 Å²	78.1	47%	0.471	38%	0.384	S	S	.	.	S	Bend	trans	-78.8	-32.1	169.4	-60.1	-64	0	0	0	110	P11 V12 R50 M51	P11-D53 WeakPolarHBondContact CA-OD2 3.43Å; P11-D53 HydrophobicContact CB-CB 4.2Å; V12-D53 PolarHBondContact N-OD2 2.89Å; V12-D53 PolarHBondContact O-N 3.38Å; R50-D53 IonicContact CZ-OD2 3.41Å; R50-D53 IonicContact NE-OD2 2.72Å; R50-D53 IonicContact NH2-OD1 3.21Å; R50-D53 IonicContact NH2-OD2 2.74Å; R50-D53 PolarHBondContact NH2-OD2 2.97Å; M51-D53 PolarHBondContact O-N 2.84Å
54	E	95	Very high	91.4	Very high	92 Å²	92	72.9 Å²	72.9	43%	0.43	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.1	179.3	-64.1	169.7	-168.4	0	0	110.3	V12 R13 Q14	V12-E54 PolarHBondContact O-N 2.88Å; R13-E54 WeakPolarHBondContact CA-O 3.5Å; R13-E54 WeakPolarHBondContact CD-OE2 3.22Å; R13-E54 HydrophobicContact CG-CB 4.19Å; R13-E54 IonicContact CZ-OE2 3.57Å; R13-E54 IonicContact NE-OE2 2.8Å; R13-E54 PolarHBondContact NE-OE2 2.9Å; R13-E54 IonicContact NH2-OE2 3.31Å; Q14-E54 PolarHBondContact N-O 3.11Å
55	Q	95.9	Very high	92.2	Very high	128 Å²	128	72.9 Å²	72.9	60%	0.598	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.2	176.4	-73.4	-175.8	-8.7	0	0	111.1	Q14 A52	Q14-Q55 HydrophobicContact CB-CG 4.24Å; Q14-Q55 CarbonylContact O-C 3.55Å; Q14-Q55 WeakPolarHBondContact O-CA 3.46Å; A52-Q55 HydrophobicContact CB-CG 3.87Å
56	Q	96.4	Very high	92.9	Very high	98 Å²	98	69.2 Å²	69.2	46%	0.458	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	113.1	176.6	178.1	62.9	52.4	0	0	109.7	Q14 F15 T16 C58	Q14-Q56 PolarHBondContact O-N 2.93Å; F15-Q56 CarbonylContact C-O 3.52Å; F15-Q56 WeakPolarHBondContact CA-O 3.34Å; F15-Q56 HydrophobicContact CD1-CB 3.83Å; F15-Q56 HydrophobicContact CD1-CG 3.93Å; F15-Q56 HydrophobicContact CE1-CB 4.04Å; F15-Q56 HydrophobicContact CE1-CG 4.1Å; T16-Q56 PolarHBondContact N-O 3.41Å; Q56-C58 PolarHBondContact O-N 3.4Å
57	D	96.6	Very high	93.8	Very high	95 Å²	95	61.4 Å²	61.4	51%	0.508	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.5	168.8	-169.5	-23.8	0	0	0	109.2	N17 G59	N17-D57 WeakPolarHBondContact CB-OD1 3.47Å; N17-D57 PolarHBondContact ND2-OD1 3.33Å; D57-G59 PolarHBondContact OD1-N 2.87Å
58	C	96.8	Very high	94.5	Very high	12 Å²	12	54.6 Å²	54.6	8%	0.081	28%	0.28	C	S	.	.			trans	-96.4	3	179.4	-61.7	0	0	0	0	113.2	T16 C18 Q56 G60 C61 L63	T16-C58 WeakPolarHBondContact O-CB 3.26Å; T16-C58 PolarHBondContact O-N 3.46Å; C18-C58 HydrophobicContact CB-CB 3.7Å; Q56-C58 PolarHBondContact O-N 3.4Å; C58-G60 PolarHBondContact O-N 3.19Å; C58-C61 HydrophobicContact CB-CB 4.44Å; C58-C61 WeakPolarHBondContact O-CB 3.25Å; C58-C61 PolarHBondContact O-N 3.27Å; C58-C61 PolarHBondContact O-SG 3.06Å; C58-L63 HydrophobicContact CB-CD1 4.25Å
59	G	96	Very high	95.2	Very high	60 Å²	60	51 Å²	51	62%	0.619	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	25.8	171.8	0	0	0	0	0	114.6	N17 D57 C61	N17-G59 WeakPolarHBondContact ND2-CA 3.43Å; D57-G59 PolarHBondContact OD1-N 2.87Å; G59-C61 VanDerWaalsContact C-N 3.31Å
60	G	97.3	Very high	96	Very high	20 Å²	20	40.5 Å²	40.5	21%	0.206	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	3	-173.8	0	0	0	0	0	114.4	N17 R19 C58	N17-G60 PolarHBondContact ND2-N 3.25Å; N17-G60 WeakPolarHBondContact O-CA 3.33Å; N17-G60 PolarHBondContact O-N 3.35Å; R19-G60 VanDerWaalsContact CZ-O 3.25Å; R19-G60 PolarHBondContact NE-O 3.16Å; R19-G60 PolarHBondContact NH2-O 3.02Å; C58-G60 PolarHBondContact O-N 3.19Å
61	C	98.4	Very high	96.8	Very high	24 Å²	24	37 Å²	37	16%	0.162	21%	0.21	C	C	.	.			trans	-60.2	159.8	179.9	-69.4	0	0	0	0	113	C18 R19 C58 G59 V384 L385	C18-C61 WeakPolarHBondContact CA-O 3.19Å; R19-C61 PolarHBondContact N-O 2.87Å; C58-C61 HydrophobicContact CB-CB 4.44Å; C58-C61 WeakPolarHBondContact O-CB 3.25Å; C58-C61 PolarHBondContact O-N 3.27Å; C58-C61 PolarHBondContact O-SG 3.06Å; G59-C61 VanDerWaalsContact C-N 3.31Å; C61-V384 HydrophobicContact CB-CG1 3.51Å; C61-L385 CarbonylContact C-O 3.43Å; C61-L385 WeakPolarHBondContact CA-O 3.39Å; C61-L385 WeakPolarHBondContact CB-O 3.42Å
62	I	98.8	Very high	97.3	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.8	173	-63.1	165.3	0	0	0	108.8	R19 L26 A64 V350 L354 V384 L385 L389	R19-I62 HydrophobicContact CB-CG1 4.39Å; R19-I62 CarbonylContact O-C 3.59Å; R19-I62 VanDerWaalsContact O-CA 3.29Å; R19-I62 WeakPolarHBondContact O-CA 3.43Å; L26-I62 HydrophobicContact CD1-CD1 4.13Å; L26-I62 HydrophobicContact CD1-CG1 4.32Å; L26-I62 HydrophobicContact CD2-CG1 4.45Å; L26-I62 HydrophobicContact CD2-CG2 3.68Å; I62-A64 HydrophobicContact CG2-CB 4.48Å; I62-V350 HydrophobicContact CD1-CG1 4.12Å; I62-L354 HydrophobicContact CG2-CD1 4.17Å; I62-V384 CarbonylContact O-C 3.59Å; I62-V384 WeakPolarHBondContact O-CA 3.13Å; I62-L385 HydrophobicContact CB-CB 4.23Å; I62-L385 PolarHBondContact N-O 3.18Å; I62-L385 PolarHBondContact O-N 3.24Å; I62-L389 HydrophobicContact CD1-CD2 3.95Å
63	L	98.8	Very high	97.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.6	167.1	-92.2	57.6	0	0	0	108.1	F15 C18 R19 I20 L21 L31 C58 L374 F382 V383 V384	F15-L63 HydrophobicContact CB-CD2 3.98Å; F15-L63 HydrophobicContact CG-CD2 4.36Å; C18-L63 HydrophobicContact CB-CD1 3.78Å; C18-L63 HydrophobicContact CB-CD2 4.29Å; C18-L63 HydrophobicContact CB-CG 4.48Å; R19-L63 PolarHBondContact O-N 2.77Å; I20-L63 WeakPolarHBondContact CA-O 3.33Å; I20-L63 HydrophobicContact CG1-CB 4.4Å; L21-L63 PolarHBondContact N-O 3.16Å; L31-L63 HydrophobicContact CB-CD2 4.02Å; L31-L63 HydrophobicContact CD2-CD2 3.86Å; C58-L63 HydrophobicContact CB-CD1 4.25Å; L63-L374 HydrophobicContact CB-CD1 4.36Å; L63-L374 WeakPolarHBondContact O-CD1 3.22Å; L63-F382 HydrophobicContact CD2-CD2 4.13Å; L63-F382 HydrophobicContact CD2-CE2 3.98Å; L63-F382 HydrophobicContact CG-CD2 3.94Å; L63-F382 HydrophobicContact CG-CE2 4.16Å; L63-V383 WeakPolarHBondContact CA-O 3.35Å; L63-V384 HydrophobicContact CD1-CB 4.32Å; L63-V384 HydrophobicContact CD1-CG1 4.04Å; L63-V384 HydrophobicContact CD1-CG2 3.86Å; L63-V384 HydrophobicContact CG-CG2 4.31Å
64	A	98.8	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	153	177.4	0	0	0	0	0	110.3	L21 I62 L354 F382 V383 L385	L21-A64 HydrophobicContact CD2-CB 4.45Å; I62-A64 HydrophobicContact CG2-CB 4.48Å; A64-L354 HydrophobicContact CB-CB 4.48Å; A64-L354 HydrophobicContact CB-CD1 3.9Å; A64-L354 HydrophobicContact CB-CD2 4.15Å; A64-L354 HydrophobicContact CB-CG 4.41Å; A64-F382 CarbonylContact O-C 3.51Å; A64-F382 WeakPolarHBondContact O-CA 3.44Å; A64-F382 VanDerWaalsContact O-CB 3.24Å; A64-F382 WeakPolarHBondContact O-CB 3.43Å; A64-V383 HydrophobicContact CB-CG2 4.39Å; A64-V383 PolarHBondContact N-O 3.47Å; A64-V383 PolarHBondContact O-N 2.81Å; A64-L385 HydrophobicContact CB-CD1 4.3Å
65	P	98.8	Very high	97.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	146.4	172.2	-9.8	21	0	0	0	110.7	F67 G372 N373 L374	P65-F67 PolarHBondContact O-N 2.98Å; P65-G372 VanDerWaalsContact CB-C 3.44Å; P65-G372 WeakPolarHBondContact CG-O 3.15Å; P65-N373 VanDerWaalsContact CG-CA 3.47Å; P65-L374 HydrophobicContact CB-CD2 4.38Å; P65-L374 HydrophobicContact CB-CG 4.38Å; P65-L374 HydrophobicContact CG-CG 4.07Å
66	G	98.8	Very high	97.9	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-55.4	136	179.3	0	0	0	0	0	111.7	T104 D381	G66-T104 VanDerWaalsContact CA-OG1 3.32Å; G66-T104 WeakPolarHBondContact CA-OG1 3.15Å; G66-D381 PolarHBondContact N-O 3.5Å
67	F	98.9	Very high	97.8	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	147.9	-175.3	-51.1	-38.7	0	0	0	111.4	P65 H101 G102 V103 T104 S105 M335 I339 L354 A357 V383 L385	P65-F67 PolarHBondContact O-N 2.98Å; F67-H101 WeakPolarHBondContact CD2-O 3.36Å; F67-G102 WeakPolarHBondContact CB-O 3.22Å; F67-G102 WeakPolarHBondContact CD2-O 3.34Å; F67-G102 PolarHBondContact N-O 3.36Å; F67-V103 HydrophobicContact CB-CG2 4.39Å; F67-V103 WeakPolarHBondContact O-CA 3.4Å; F67-T104 PolarHBondContact O-N 3.25Å; F67-S105 PolarHBondContact O-N 2.8Å; F67-M335 HydrophobicContact CB-CG 3.93Å; F67-M335 HydrophobicContact CD2-CG 4Å; F67-M335 HydrophobicContact CG-CG 4.17Å; F67-I339 HydrophobicContact CD1-CD1 3.91Å; F67-I339 HydrophobicContact CD2-CD1 3.75Å; F67-I339 HydrophobicContact CE1-CD1 3.6Å; F67-I339 HydrophobicContact CE2-CD1 3.43Å; F67-I339 VanDerWaalsContact CE2-CD1 3.43Å; F67-I339 HydrophobicContact CG-CD1 3.99Å; F67-I339 HydrophobicContact CZ-CD1 3.34Å; F67-L354 HydrophobicContact CE1-CD2 3.77Å; F67-L354 HydrophobicContact CZ-CD2 3.91Å; F67-A357 CarbonylContact C-O 3.57Å; F67-A357 VanDerWaalsContact CA-O 3.25Å; F67-A357 WeakPolarHBondContact CA-O 3.44Å; F67-A357 HydrophobicContact CB-CB 4.41Å; F67-A357 HydrophobicContact CD1-CB 3.98Å; F67-A357 HydrophobicContact CG-CB 4.28Å; F67-V383 HydrophobicContact CD2-CG1 4.44Å; F67-V383 HydrophobicContact CE1-CG1 4.43Å; F67-V383 HydrophobicContact CE1-CG2 4.25Å; F67-V383 HydrophobicContact CE2-CG1 4.36Å; F67-V383 HydrophobicContact CE2-CG2 4.2Å; F67-V383 HydrophobicContact CZ-CG1 4.36Å; F67-V383 HydrophobicContact CZ-CG2 3.77Å; F67-L385 HydrophobicContact CZ-CD1 4.21Å; F67-L385 HydrophobicContact CZ-CD2 4.41Å
68	I	98.9	Very high	97.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.7	-178.2	-48.7	-175.8	0	0	0	109.1	V70 S105 L138 A357 P361 A362 K371	I68-V70 HydrophobicContact CG2-CG1 4.04Å; I68-S105 VanDerWaalsContact CA-O 3.3Å; I68-S105 WeakPolarHBondContact CA-O 3.27Å; I68-S105 WeakPolarHBondContact CG1-OG 3Å; I68-L138 HydrophobicContact CG2-CD1 3.55Å; I68-A357 PolarHBondContact N-O 3.45Å; I68-P361 HydrophobicContact CB-CB 3.89Å; I68-P361 HydrophobicContact CB-CG 3.84Å; I68-P361 HydrophobicContact CG2-CB 4.04Å; I68-A362 HydrophobicContact CD1-CB 3.8Å; I68-K371 HydrophobicContact CD1-CB 4.23Å
69	D	98.9	Very high	97.7	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.011	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.8	177.5	-164.3	-6.4	0	0	0	111.3	Q71 V103 S105 F106 C107 T293 M335	D69-Q71 PolarHBondContact OD1-N 3.09Å; D69-V103 HydrophobicContact CB-CG1 4.2Å; D69-S105 PolarHBondContact N-O 2.84Å; D69-S105 VanDerWaalsContact N-O 3.11Å; D69-F106 HydrophobicContact CB-CB 4.15Å; D69-F106 CarbonylContact O-C 3.42Å; D69-F106 WeakPolarHBondContact O-CA 3.47Å; D69-F106 VanDerWaalsContact O-CB 3.3Å; D69-F106 WeakPolarHBondContact O-CB 3.29Å; D69-C107 PolarHBondContact O-N 2.9Å; D69-T293 PolarHBondContact OD1-N 3.22Å; D69-T293 VanDerWaalsContact OD2-CB 3.28Å; D69-T293 WeakPolarHBondContact OD2-CB 3.47Å; D69-T293 WeakPolarHBondContact OD2-CG2 3.48Å; D69-T293 PolarHBondContact OD2-OG1 2.76Å; D69-M335 HydrophobicContact CB-CE 3.64Å
70	V	98.8	Very high	97.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-1.7	-174.6	-59.1	0	0	0	0	113.7	I68 H141 I183 F229 V290 V292 P361 L364 L365	I68-V70 HydrophobicContact CG2-CG1 4.04Å; V70-H141 PolarHBondContact O-ND1 2.98Å; V70-I183 HydrophobicContact CB-CD1 3.84Å; V70-F229 HydrophobicContact CG2-CE1 4.23Å; V70-F229 HydrophobicContact CG2-CZ 4.04Å; V70-V290 HydrophobicContact CG2-CG1 3.83Å; V70-V292 HydrophobicContact CG2-CG1 3.58Å; V70-P361 HydrophobicContact CG1-CB 3.84Å; V70-L364 HydrophobicContact CG2-CD2 4.09Å; V70-L365 HydrophobicContact CG1-CD1 3.82Å; V70-L365 HydrophobicContact CG1-CG 4.33Å
71	Q	98.8	Very high	97.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	100.5	175.2	-174.5	175	14.5	0	0	110.2	D69 T109 E143 H232 V292 D294	D69-Q71 PolarHBondContact OD1-N 3.09Å; Q71-T109 WeakPolarHBondContact CA-OG1 3.44Å; Q71-E143 PolarHBondContact NE2-OE1 2.78Å; Q71-E143 VanDerWaalsContact NE2-OE1 3.12Å; Q71-E143 PolarHBondContact NE2-OE2 3Å; Q71-H232 PolarHBondContact NE2-CD2 2.85Å; Q71-V292 HydrophobicContact CB-CB 3.97Å; Q71-V292 HydrophobicContact CB-CG1 4Å; Q71-V292 HydrophobicContact CB-CG2 4.45Å; Q71-D294 HydrophobicContact CG-CB 4.34Å; Q71-D294 WeakPolarHBondContact O-CA 3.3Å; Q71-D294 PolarHBondContact O-N 3.35Å
72	M	97.9	Very high	97.2	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	112.1	179.3	-168.2	-177.4	75.5	0	0	110.2	G74 F80 V94 I98 F106 T109 A295	M72-G74 VanDerWaalsContact C-N 3.34Å; M72-F80 HydrophobicContact CE-CE2 3.6Å; M72-F80 HydrophobicContact CE-CZ 3.75Å; M72-F80 VanDerWaalsContact O-CD2 3.25Å; M72-F80 WeakPolarHBondContact O-CD2 3.48Å; M72-F80 WeakPolarHBondContact O-CE2 3.45Å; M72-V94 HydrophobicContact CE-CB 4.49Å; M72-V94 HydrophobicContact CE-CG1 3.32Å; M72-V94 HydrophobicContact SD-CG1 4.25Å; M72-I98 HydrophobicContact CE-CD1 4.29Å; M72-I98 HydrophobicContact SD-CG2 4.11Å; M72-F106 HydrophobicContact CE-CD2 3.35Å; M72-F106 HydrophobicContact CE-CE2 3.4Å; M72-F106 HydrophobicContact CE-CG 4.2Å; M72-F106 HydrophobicContact CE-CZ 4.31Å; M72-T109 PolarHBondContact N-OG1 2.93Å; M72-T109 WeakPolarHBondContact O-CB 3.1Å; M72-T109 PolarHBondContact O-N 2.93Å; M72-A295 HydrophobicContact CG-CB 3.97Å
73	N	97.8	Very high	96.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.011	8%	0.081	C	C	.	.			trans	-78.4	-20.9	-175.3	-54.5	-70.4	0	0	0	113.2	F80 T109 V111 D294 A295 L308	N73-F80 VanDerWaalsContact C-CD2 3.43Å; N73-F80 VanDerWaalsContact O-CD2 3.26Å; N73-F80 WeakPolarHBondContact O-CD2 3.29Å; N73-F80 WeakPolarHBondContact O-CG 3.46Å; N73-F80 PolarHBondContact O-N 2.83Å; N73-F80 VanDerWaalsContact O-N 3.09Å; N73-T109 WeakPolarHBondContact OD1-CB 3.13Å; N73-T109 WeakPolarHBondContact OD1-CG2 3.5Å; N73-V111 VanDerWaalsContact OD1-CG1 3.28Å; N73-V111 WeakPolarHBondContact OD1-CG1 3.3Å; N73-D294 PolarHBondContact ND2-O 2.94Å; N73-D294 PolarHBondContact ND2-OD1 3.37Å; N73-A295 WeakPolarHBondContact CA-O 3.45Å; N73-A295 WeakPolarHBondContact CB-O 3.32Å; N73-A295 PolarHBondContact N-O 3.29Å; N73-L308 HydrophobicContact CB-CD1 3.53Å
74	G	96.8	Very high	96.2	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-168.5	-179.9	0	0	0	0	0	113	M72 V78 A295	M72-G74 VanDerWaalsContact C-N 3.34Å; G74-V78 CarbonylContact C-O 3.5Å; G74-V78 WeakPolarHBondContact CA-O 3.47Å; G74-A295 PolarHBondContact N-O 2.91Å; G74-A295 VanDerWaalsContact N-O 3.12Å
75	G	96.8	Very high	95.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	162.5	171.5	0	0	0	0	0	111.6	G77 V78 V94 P297	G75-G77 PolarHBondContact O-N 2.78Å; G75-G77 VanDerWaalsContact O-N 3.11Å; G75-V78 PolarHBondContact N-O 2.68Å; G75-V78 WeakPolarHBondContact O-CB 3.5Å; G75-V78 PolarHBondContact O-N 3.37Å; G75-V94 VanDerWaalsContact O-CG2 3.31Å; G75-V94 WeakPolarHBondContact O-CG2 3.18Å; G75-P297 CarbonylContact C-O 3.55Å
76	F	96.1	Very high	94.8	Very high	36 Å²	36	29.5 Å²	29.5	16%	0.158	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	35.2	175.6	-45.6	-77.6	0	0	0	113.5	V94 R97 I98 P297 L299	F76-V94 HydrophobicContact CD2-CG1 4.27Å; F76-V94 HydrophobicContact CD2-CG2 4.49Å; F76-V94 HydrophobicContact CE2-CG1 4.42Å; F76-R97 HydrophobicContact CD1-CB 4.17Å; F76-R97 HydrophobicContact CD1-CG 4.27Å; F76-R97 HydrophobicContact CD2-CB 3.45Å; F76-R97 VanDerWaalsContact CD2-CB 3.45Å; F76-R97 HydrophobicContact CD2-CG 3.96Å; F76-R97 HydrophobicContact CE1-CB 3.94Å; F76-R97 HydrophobicContact CE1-CG 4.44Å; F76-R97 HydrophobicContact CE2-CB 3.19Å; F76-R97 HydrophobicContact CE2-CG 4.17Å; F76-R97 HydrophobicContact CG-CB 3.94Å; F76-R97 HydrophobicContact CG-CG 4.02Å; F76-R97 HydrophobicContact CZ-CB 3.47Å; F76-R97 VanDerWaalsContact CZ-CB 3.47Å; F76-R97 HydrophobicContact CZ-CG 4.41Å; F76-I98 HydrophobicContact CE2-CG2 3.94Å; F76-P297 PolarHBondContact N-O 3.45Å; F76-L299 WeakPolarHBondContact CA-O 3.27Å; F76-L299 HydrophobicContact CE2-CD2 4.3Å; F76-L299 HydrophobicContact CZ-CD2 4.36Å; F76-L299 HydrophobicContact CZ-CG 4.34Å; F76-L299 PolarHBondContact N-O 2.64Å
77	G	94.5	Very high	94.4	Very high	49 Å²	49	29.8 Å²	29.8	51%	0.505	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-0.1	-179.5	0	0	0	0	0	115.1	G75 P297	G75-G77 PolarHBondContact O-N 2.78Å; G75-G77 VanDerWaalsContact O-N 3.11Å; G77-P297 WeakPolarHBondContact CA-O 3.37Å; G77-P297 PolarHBondContact N-O 3.38Å
78	V	96	Very high	94	Very high	25 Å²	25	31 Å²	31	15%	0.152	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.8	178.8	-178.4	0	0	0	0	110.1	G74 G75 F80 L93 V94 P297	G74-V78 CarbonylContact C-O 3.5Å; G74-V78 WeakPolarHBondContact CA-O 3.47Å; G75-V78 PolarHBondContact N-O 2.68Å; G75-V78 WeakPolarHBondContact O-CB 3.5Å; G75-V78 PolarHBondContact O-N 3.37Å; V78-F80 HydrophobicContact CG1-CD1 3.98Å; V78-F80 HydrophobicContact CG1-CE1 3.86Å; V78-L93 HydrophobicContact CG2-CD2 3.96Å; V78-V94 HydrophobicContact CB-CG2 3.67Å; V78-V94 HydrophobicContact CG1-CG2 4.13Å; V78-V94 HydrophobicContact CG2-CG2 4Å; V78-P297 WeakPolarHBondContact O-CB 3.4Å; V78-P297 WeakPolarHBondContact O-CG 3.4Å
79	D	95.5	Very high	93.8	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.064	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.1	175.4	-174.2	-22.6	0	0	0	109.6	S81 K82 P297 T307 L308 G309	D79-S81 PolarHBondContact O-N 3.15Å; D79-S81 WeakPolarHBondContact OD1-CA 3.39Å; D79-S81 WeakPolarHBondContact OD1-CB 3.28Å; D79-S81 PolarHBondContact OD1-N 3.01Å; D79-K82 HydrophobicContact CB-CB 4.02Å; D79-K82 PolarHBondContact O-N 2.79Å; D79-P297 HydrophobicContact CB-CB 4.26Å; D79-P297 HydrophobicContact CB-CG 3.52Å; D79-T307 PolarHBondContact OD2-OG1 2.65Å; D79-L308 WeakPolarHBondContact OD2-CA 3.45Å; D79-L308 PolarHBondContact OD2-N 3.18Å; D79-G309 PolarHBondContact OD1-N 2.98Å; D79-G309 PolarHBondContact OD2-N 3.48Å
80	F	96.1	Very high	93.6	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.013	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14	-177.8	-56.6	-35	0	0	0	113.1	M72 N73 V78 K82 I91 V94 F106 P108 V121	M72-F80 HydrophobicContact CE-CE2 3.6Å; M72-F80 HydrophobicContact CE-CZ 3.75Å; M72-F80 VanDerWaalsContact O-CD2 3.25Å; M72-F80 WeakPolarHBondContact O-CD2 3.48Å; M72-F80 WeakPolarHBondContact O-CE2 3.45Å; N73-F80 VanDerWaalsContact C-CD2 3.43Å; N73-F80 VanDerWaalsContact O-CD2 3.26Å; N73-F80 WeakPolarHBondContact O-CD2 3.29Å; N73-F80 WeakPolarHBondContact O-CG 3.46Å; N73-F80 PolarHBondContact O-N 2.83Å; N73-F80 VanDerWaalsContact O-N 3.09Å; V78-F80 HydrophobicContact CG1-CD1 3.98Å; V78-F80 HydrophobicContact CG1-CE1 3.86Å; F80-K82 VanDerWaalsContact C-N 3.31Å; F80-I91 HydrophobicContact CD1-CG1 3.81Å; F80-I91 HydrophobicContact CE1-CB 4.47Å; F80-I91 HydrophobicContact CE1-CG1 3.77Å; F80-V94 HydrophobicContact CE1-CB 4.26Å; F80-V94 HydrophobicContact CE1-CG2 3.9Å; F80-V94 HydrophobicContact CZ-CB 3.92Å; F80-V94 HydrophobicContact CZ-CG1 3.96Å; F80-V94 HydrophobicContact CZ-CG2 3.92Å; F80-F106 AromaticContact CE2-CE2 3.96Å; F80-F106 HydrophobicContact CE2-CE2 3.96Å; F80-F106 AromaticContact CZ-CE2 3.9Å; F80-F106 HydrophobicContact CZ-CE2 3.9Å; F80-P108 HydrophobicContact CB-CB 4.49Å; F80-P108 HydrophobicContact CD2-CB 3.6Å; F80-P108 HydrophobicContact CE2-CB 3.88Å; F80-P108 HydrophobicContact CG-CB 4.03Å; F80-V121 WeakPolarHBondContact O-CG1 3.27Å
81	S	94.8	Very high	93.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	10.9	176.3	-55.8	0	0	0	0	112.8	D79 M110 V111 I117	D79-S81 PolarHBondContact O-N 3.15Å; D79-S81 WeakPolarHBondContact OD1-CA 3.39Å; D79-S81 WeakPolarHBondContact OD1-CB 3.28Å; D79-S81 PolarHBondContact OD1-N 3.01Å; S81-M110 VanDerWaalsContact OG-CA 3.3Å; S81-M110 WeakPolarHBondContact OG-CA 3.46Å; S81-V111 PolarHBondContact OG-N 3.18Å; S81-I117 WeakPolarHBondContact O-CG2 3.49Å
82	K	91.4	Very high	93.4	Very high	106 Å²	106	36 Å²	36	46%	0.461	22%	0.217	S	C	.	.	S	Bend	trans	-111.1	125	-180	-168.4	172.1	-176.5	172.5	0	111.2	D79 F80 T84	D79-K82 HydrophobicContact CB-CB 4.02Å; D79-K82 PolarHBondContact O-N 2.79Å; F80-K82 VanDerWaalsContact C-N 3.31Å; K82-T84 PolarHBondContact O-N 2.85Å; K82-T84 VanDerWaalsContact O-N 3.09Å
83	A	87.9	Confident	93.4	Very high	30 Å²	30	38.9 Å²	38.9	25%	0.248	23%	0.232	C	C	.	.			trans	-72.4	103.1	172.1	0	0	0	0	0	110.8	I117 K120 V121	A83-I117 HydrophobicContact CB-CD1 3.67Å; A83-K120 HydrophobicContact CB-CD 3.78Å; A83-K120 HydrophobicContact CB-CG 4.34Å; A83-V121 HydrophobicContact CB-CG2 4.09Å
84	T	86.9	Confident	93.4	Very high	61 Å²	61	38.8 Å²	38.8	37%	0.374	23%	0.232	S	C	.	.			trans	-97.7	175.9	168.2	63.4	0	0	0	0	110.4	K82 D86 V87	K82-T84 PolarHBondContact O-N 2.85Å; K82-T84 VanDerWaalsContact O-N 3.09Å; T84-D86 VanDerWaalsContact C-N 3.27Å; T84-D86 PolarHBondContact OG1-N 2.72Å; T84-D86 PolarHBondContact OG1-O 2.72Å; T84-V87 PolarHBondContact OG1-N 3.16Å
85	E	82.1	Confident	93.5	Very high	199 Å²	199	38.9 Å²	38.9	93%	0.93	23%	0.233	S	C	*	.	S	Bend	trans	-72.6	-23.2	170.5	-65.9	-175.5	169.3	0	0	112.2
86	D	86.4	Confident	93.5	Very high	88 Å²	88	45.4 Å²	45.4	47%	0.471	26%	0.257	S	S	.	.			trans	-140.5	84.3	-179.4	-177.2	4.2	0	0	0	110.4	T84 G88 S89	T84-D86 VanDerWaalsContact C-N 3.27Å; T84-D86 PolarHBondContact OG1-N 2.72Å; T84-D86 PolarHBondContact OG1-O 2.72Å; D86-G88 VanDerWaalsContact C-N 3.25Å; D86-G88 PolarHBondContact O-N 2.78Å; D86-G88 PolarHBondContact OD1-N 3.02Å; D86-S89 PolarHBondContact O-OG 3.02Å; D86-S89 PolarHBondContact OD1-N 2.99Å; D86-S89 PolarHBondContact OD1-OG 3.23Å; D86-S89 WeakPolarHBondContact OD2-CB 3.36Å; D86-S89 PolarHBondContact OD2-OG 3.24Å
87	V	90.3	Very high	93.6	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-35.7	175.7	171.4	0	0	0	0	110.4	T84 G90 I91 V121 Q124 I125	T84-V87 PolarHBondContact OG1-N 3.16Å; V87-G90 PolarHBondContact O-N 3.21Å; V87-I91 HydrophobicContact CG1-CD1 3.76Å; V87-I91 HydrophobicContact CG1-CG1 4.38Å; V87-I91 WeakPolarHBondContact O-CG1 3.42Å; V87-I91 PolarHBondContact O-N 3.2Å; V87-I91 VanDerWaalsContact O-N 3.08Å; V87-V121 HydrophobicContact CG1-CG1 3.96Å; V87-V121 HydrophobicContact CG2-CG1 4.28Å; V87-V121 HydrophobicContact CG2-CG2 4.24Å; V87-Q124 HydrophobicContact CB-CB 3.99Å; V87-Q124 HydrophobicContact CG1-CB 4.28Å; V87-Q124 HydrophobicContact CG2-CB 4.48Å; V87-I125 HydrophobicContact CG1-CG1 4.09Å
88	G	91.8	Very high	93.8	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-42.9	-175	0	0	0	0	0	113.5	D86 I91 A92	D86-G88 VanDerWaalsContact C-N 3.25Å; D86-G88 PolarHBondContact O-N 2.78Å; D86-G88 PolarHBondContact OD1-N 3.02Å; G88-I91 PolarHBondContact O-N 3.38Å; G88-A92 WeakPolarHBondContact O-CB 3.24Å; G88-A92 PolarHBondContact O-N 2.83Å
89	S	93.4	Very high	94	Very high	61 Å²	61	46.4 Å²	46.4	43%	0.427	24%	0.243	S	C	.	.	H	α-helix	trans	-69.4	-35.3	177.4	63.5	0	0	0	0	113.1	D86 A92 L93	D86-S89 PolarHBondContact O-OG 3.02Å; D86-S89 PolarHBondContact OD1-N 2.99Å; D86-S89 PolarHBondContact OD1-OG 3.23Å; D86-S89 WeakPolarHBondContact OD2-CB 3.36Å; D86-S89 PolarHBondContact OD2-OG 3.24Å; S89-A92 PolarHBondContact O-N 3.16Å; S89-L93 WeakPolarHBondContact O-CB 3.22Å; S89-L93 PolarHBondContact O-N 3.04Å
90	G	95.4	Very high	94.1	Very high	13 Å²	13	47.3 Å²	47.3	13%	0.134	25%	0.25	C	C	.	.	H	α-helix	trans	-58.7	-50.3	172.3	0	0	0	0	0	111.2	V87 A92 L93 V94	V87-G90 PolarHBondContact O-N 3.21Å; G90-A92 VanDerWaalsContact C-N 3.32Å; G90-A92 PolarHBondContact O-N 3.23Å; G90-L93 WeakPolarHBondContact O-CB 3.5Å; G90-L93 PolarHBondContact O-N 2.88Å; G90-V94 WeakPolarHBondContact O-CG2 3.23Å; G90-V94 PolarHBondContact O-N 3.27Å; G90-V94 VanDerWaalsContact O-N 3.14Å
91	I	96.5	Very high	94.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-41.2	176.6	-66.5	176	0	0	0	111.1	F80 V87 G88 L93 V94 A95 F106 I125 V137	F80-I91 HydrophobicContact CD1-CG1 3.81Å; F80-I91 HydrophobicContact CE1-CB 4.47Å; F80-I91 HydrophobicContact CE1-CG1 3.77Å; V87-I91 HydrophobicContact CG1-CD1 3.76Å; V87-I91 HydrophobicContact CG1-CG1 4.38Å; V87-I91 WeakPolarHBondContact O-CG1 3.42Å; V87-I91 PolarHBondContact O-N 3.2Å; V87-I91 VanDerWaalsContact O-N 3.08Å; G88-I91 PolarHBondContact O-N 3.38Å; I91-L93 VanDerWaalsContact C-N 3.34Å; I91-L93 PolarHBondContact O-N 3.22Å; I91-V94 PolarHBondContact O-N 2.9Å; I91-A95 WeakPolarHBondContact O-CB 3.47Å; I91-A95 PolarHBondContact O-N 2.96Å; I91-F106 HydrophobicContact CG2-CZ 4.1Å; I91-I125 HydrophobicContact CD1-CB 3.98Å; I91-I125 HydrophobicContact CD1-CD1 3.88Å; I91-I125 HydrophobicContact CD1-CG1 3.53Å; I91-I125 HydrophobicContact CD1-CG2 3.73Å; I91-V137 HydrophobicContact CG2-CG2 3.91Å
92	A	96.9	Very high	94.4	Very high	35 Å²	35	49 Å²	49	29%	0.289	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-37.6	177.2	0	0	0	0	0	112.8	G88 S89 G90 R96	G88-A92 WeakPolarHBondContact O-CB 3.24Å; G88-A92 PolarHBondContact O-N 2.83Å; S89-A92 PolarHBondContact O-N 3.16Å; G90-A92 VanDerWaalsContact C-N 3.32Å; G90-A92 PolarHBondContact O-N 3.23Å; A92-R96 WeakPolarHBondContact O-CB 3.34Å; A92-R96 PolarHBondContact O-N 3.18Å
93	L	97.4	Very high	94.7	Very high	61 Å²	61	44 Å²	44	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-50	174.7	174	62.7	0	0	0	110.7	V78 S89 G90 I91 R96 R97	V78-L93 HydrophobicContact CG2-CD2 3.96Å; S89-L93 WeakPolarHBondContact O-CB 3.22Å; S89-L93 PolarHBondContact O-N 3.04Å; G90-L93 WeakPolarHBondContact O-CB 3.5Å; G90-L93 PolarHBondContact O-N 2.88Å; I91-L93 VanDerWaalsContact C-N 3.34Å; I91-L93 PolarHBondContact O-N 3.22Å; L93-R96 PolarHBondContact O-N 3.1Å; L93-R97 HydrophobicContact CD1-CG 4.09Å; L93-R97 VanDerWaalsContact O-CG 3.26Å; L93-R97 WeakPolarHBondContact O-CG 3.42Å; L93-R97 PolarHBondContact O-N 2.85Å
94	V	98.1	Very high	95.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-48.1	179.4	-174.3	0	0	0	0	110.6	M72 G75 F76 V78 F80 G90 I91 R96 R97 I98	M72-V94 HydrophobicContact CE-CB 4.49Å; M72-V94 HydrophobicContact CE-CG1 3.32Å; M72-V94 HydrophobicContact SD-CG1 4.25Å; G75-V94 VanDerWaalsContact O-CG2 3.31Å; G75-V94 WeakPolarHBondContact O-CG2 3.18Å; F76-V94 HydrophobicContact CD2-CG1 4.27Å; F76-V94 HydrophobicContact CD2-CG2 4.49Å; F76-V94 HydrophobicContact CE2-CG1 4.42Å; V78-V94 HydrophobicContact CB-CG2 3.67Å; V78-V94 HydrophobicContact CG1-CG2 4.13Å; V78-V94 HydrophobicContact CG2-CG2 4Å; F80-V94 HydrophobicContact CE1-CB 4.26Å; F80-V94 HydrophobicContact CE1-CG2 3.9Å; F80-V94 HydrophobicContact CZ-CB 3.92Å; F80-V94 HydrophobicContact CZ-CG1 3.96Å; F80-V94 HydrophobicContact CZ-CG2 3.92Å; G90-V94 WeakPolarHBondContact O-CG2 3.23Å; G90-V94 PolarHBondContact O-N 3.27Å; G90-V94 VanDerWaalsContact O-N 3.14Å; I91-V94 PolarHBondContact O-N 2.9Å; V94-R96 PolarHBondContact O-N 2.93Å; V94-R96 VanDerWaalsContact O-N 3.16Å; V94-R97 PolarHBondContact O-N 3.37Å; V94-I98 HydrophobicContact CG1-CG2 3.92Å; V94-I98 WeakPolarHBondContact O-CG1 3.45Å; V94-I98 WeakPolarHBondContact O-CG2 3.3Å; V94-I98 PolarHBondContact O-N 2.66Å
95	A	98.5	Very high	95.8	Very high	2 Å²	2	40 Å²	40	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-54.5	-36.2	178	0	0	0	0	0	112.8	I91 F106 G134 A135	I91-A95 WeakPolarHBondContact O-CB 3.47Å; I91-A95 PolarHBondContact O-N 2.96Å; A95-F106 HydrophobicContact CB-CE1 3.71Å; A95-F106 HydrophobicContact CB-CZ 4.1Å; A95-G134 WeakPolarHBondContact O-CA 3.48Å; A95-A135 HydrophobicContact CB-CB 4.41Å; A95-A135 WeakPolarHBondContact O-CB 3.49Å; A95-A135 PolarHBondContact O-N 2.96Å
96	R	98.4	Very high	96.6	Very high	138 Å²	138	30.5 Å²	30.5	52%	0.521	16%	0.164	S	C	.	.	H	α-helix	trans	-73.3	-42.1	175.4	-176.2	179.8	130.7	-129.7	0.6	112.4	A92 L93 V94 L99	A92-R96 WeakPolarHBondContact O-CB 3.34Å; A92-R96 PolarHBondContact O-N 3.18Å; L93-R96 PolarHBondContact O-N 3.1Å; V94-R96 PolarHBondContact O-N 2.93Å; V94-R96 VanDerWaalsContact O-N 3.16Å; R96-L99 WeakPolarHBondContact O-CB 3.41Å; R96-L99 WeakPolarHBondContact O-CG 3.5Å
97	R	98.3	Very high	97.2	Very high	124 Å²	124	26.3 Å²	26.3	47%	0.468	14%	0.141	S	C	.	.	H	α-helix	trans	-73.6	-34.6	-173.8	-71.6	-74.8	-169.2	159.1	4.3	112.6	F76 L93 V94 L99 S100	F76-R97 HydrophobicContact CD1-CB 4.17Å; F76-R97 HydrophobicContact CD1-CG 4.27Å; F76-R97 HydrophobicContact CD2-CB 3.45Å; F76-R97 VanDerWaalsContact CD2-CB 3.45Å; F76-R97 HydrophobicContact CD2-CG 3.96Å; F76-R97 HydrophobicContact CE1-CB 3.94Å; F76-R97 HydrophobicContact CE1-CG 4.44Å; F76-R97 HydrophobicContact CE2-CB 3.19Å; F76-R97 HydrophobicContact CE2-CG 4.17Å; F76-R97 HydrophobicContact CG-CB 3.94Å; F76-R97 HydrophobicContact CG-CG 4.02Å; F76-R97 HydrophobicContact CZ-CB 3.47Å; F76-R97 VanDerWaalsContact CZ-CB 3.47Å; F76-R97 HydrophobicContact CZ-CG 4.41Å; L93-R97 HydrophobicContact CD1-CG 4.09Å; L93-R97 VanDerWaalsContact O-CG 3.26Å; L93-R97 WeakPolarHBondContact O-CG 3.42Å; L93-R97 PolarHBondContact O-N 2.85Å; V94-R97 PolarHBondContact O-N 3.37Å; R97-L99 PolarHBondContact O-N 3.5Å; R97-S100 PolarHBondContact O-N 3.29Å; R97-S100 PolarHBondContact O-OG 2.95Å
98	I	98.5	Very high	97.6	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-70	-11.2	178.4	66.1	-175.4	0	0	0	113.9	M72 F76 V94 S100 H101 V103 F106 A135	M72-I98 HydrophobicContact CE-CD1 4.29Å; M72-I98 HydrophobicContact SD-CG2 4.11Å; F76-I98 HydrophobicContact CE2-CG2 3.94Å; V94-I98 HydrophobicContact CG1-CG2 3.92Å; V94-I98 WeakPolarHBondContact O-CG1 3.45Å; V94-I98 WeakPolarHBondContact O-CG2 3.3Å; V94-I98 PolarHBondContact O-N 2.66Å; I98-S100 PolarHBondContact O-N 3.04Å; I98-H101 WeakPolarHBondContact O-CA 3.44Å; I98-H101 WeakPolarHBondContact O-CB 3.37Å; I98-H101 PolarHBondContact O-N 2.89Å; I98-V103 HydrophobicContact CB-CB 4.09Å; I98-V103 HydrophobicContact CB-CG2 4.48Å; I98-V103 HydrophobicContact CD1-CB 4.1Å; I98-V103 HydrophobicContact CD1-CG1 3.76Å; I98-V103 HydrophobicContact CG1-CB 4.01Å; I98-V103 HydrophobicContact CG1-CG1 4.22Å; I98-V103 PolarHBondContact O-N 3.12Å; I98-F106 HydrophobicContact CD1-CB 4.29Å; I98-F106 HydrophobicContact CD1-CD1 3.61Å; I98-F106 HydrophobicContact CD1-CD2 4.46Å; I98-F106 HydrophobicContact CD1-CE1 3.99Å; I98-F106 HydrophobicContact CD1-CG 3.88Å; I98-A135 HydrophobicContact CD1-CB 3.91Å; I98-A135 HydrophobicContact CG1-CB 4.03Å
99	L	98.6	Very high	97.9	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-59	-32	172.8	-64.8	178.1	0	0	0	112.3	R96 R97 H101 G102 A135 T394 I396 V401 W402	R96-L99 WeakPolarHBondContact O-CB 3.41Å; R96-L99 WeakPolarHBondContact O-CG 3.5Å; R97-L99 PolarHBondContact O-N 3.5Å; L99-H101 PolarHBondContact O-N 2.76Å; L99-G102 PolarHBondContact O-N 2.95Å; L99-G102 VanDerWaalsContact O-N 3.15Å; L99-A135 HydrophobicContact CD2-CB 4.25Å; L99-T394 HydrophobicContact CD2-CG2 4.26Å; L99-T394 WeakPolarHBondContact O-CB 3.46Å; L99-T394 PolarHBondContact O-OG1 2.86Å; L99-I396 HydrophobicContact CD2-CD1 3.7Å; L99-V401 HydrophobicContact CD1-CB 3.94Å; L99-V401 HydrophobicContact CD1-CG2 3.82Å; L99-V401 HydrophobicContact CD2-CG2 3.84Å; L99-V401 HydrophobicContact CG-CG2 4.34Å; L99-W402 HydrophobicContact CB-CB 3.86Å; L99-W402 HydrophobicContact CB-CG 4.4Å
100	S	97.9	Very high	98.1	Very high	31 Å²	31	21.8 Å²	21.8	22%	0.217	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-68.1	-12.4	176.3	61.8	0	0	0	0	113.8	R97 I98 W402	R97-S100 PolarHBondContact O-N 3.29Å; R97-S100 PolarHBondContact O-OG 2.95Å; I98-S100 PolarHBondContact O-N 3.04Å; S100-W402 VanDerWaalsContact CA-CE2 3.45Å; S100-W402 VanDerWaalsContact CB-CZ2 3.46Å
101	H	98.4	Very high	98.2	Very high	37 Å²	37	21.5 Å²	21.5	17%	0.171	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-108.7	16.7	178.8	-58.5	-66.2	0	0	0	111.5	F67 I98 L99 V103 P334 D336	F67-H101 WeakPolarHBondContact CD2-O 3.36Å; I98-H101 WeakPolarHBondContact O-CA 3.44Å; I98-H101 WeakPolarHBondContact O-CB 3.37Å; I98-H101 PolarHBondContact O-N 2.89Å; L99-H101 PolarHBondContact O-N 2.76Å; H101-V103 PolarHBondContact O-N 3.46Å; H101-P334 HydrophobicContact CB-CB 3.88Å; H101-P334 WeakPolarHBondContact ND1-CB 3.35Å; H101-P334 WeakPolarHBondContact ND1-CG 3.3Å; H101-D336 WeakPolarHBondContact CB-OD1 3.41Å; H101-D336 IonicContact CE1-OD1 2.7Å; H101-D336 IonicContact CG-OD1 3.5Å; H101-D336 IonicContact ND1-OD1 3.31Å; H101-D336 PolarHBondContact ND1-OD1 3.44Å
102	G	98.5	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	2.1	176.6	0	0	0	0	0	115	F67 L99 T104 V383	F67-G102 WeakPolarHBondContact CB-O 3.22Å; F67-G102 WeakPolarHBondContact CD2-O 3.34Å; F67-G102 PolarHBondContact N-O 3.36Å; L99-G102 PolarHBondContact O-N 2.95Å; L99-G102 VanDerWaalsContact O-N 3.15Å; G102-T104 PolarHBondContact O-N 3.3Å; G102-V383 WeakPolarHBondContact O-CG1 3.43Å
103	V	98.9	Very high	98.3	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.4	-179.1	-174.8	0	0	0	0	109.6	F67 D69 I98 H101 S105 F106 M335	F67-V103 HydrophobicContact CB-CG2 4.39Å; F67-V103 WeakPolarHBondContact O-CA 3.4Å; D69-V103 HydrophobicContact CB-CG1 4.2Å; I98-V103 HydrophobicContact CB-CB 4.09Å; I98-V103 HydrophobicContact CB-CG2 4.48Å; I98-V103 HydrophobicContact CD1-CB 4.1Å; I98-V103 HydrophobicContact CD1-CG1 3.76Å; I98-V103 HydrophobicContact CG1-CB 4.01Å; I98-V103 HydrophobicContact CG1-CG1 4.22Å; I98-V103 PolarHBondContact O-N 3.12Å; H101-V103 PolarHBondContact O-N 3.46Å; V103-S105 WeakPolarHBondContact CG1-O 3.47Å; V103-F106 HydrophobicContact CG1-CB 4.25Å; V103-M335 HydrophobicContact CG2-CB 3.55Å; V103-M335 HydrophobicContact CG2-CG 4.14Å
104	T	98.9	Very high	98.3	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-16.8	178.7	60.7	0	0	0	0	112.5	G66 F67 G102 A135 G136 D381 T394 I396	G66-T104 VanDerWaalsContact CA-OG1 3.32Å; G66-T104 WeakPolarHBondContact CA-OG1 3.15Å; F67-T104 PolarHBondContact O-N 3.25Å; G102-T104 PolarHBondContact O-N 3.3Å; T104-A135 CarbonylContact O-C 3.59Å; T104-A135 VanDerWaalsContact O-CA 3.24Å; T104-A135 WeakPolarHBondContact O-CA 3.29Å; T104-A135 WeakPolarHBondContact O-CB 3.38Å; T104-G136 PolarHBondContact O-N 2.81Å; T104-D381 HydrophobicContact CG2-CB 4.38Å; T104-T394 HydrophobicContact CG2-CG2 3.71Å; T104-I396 HydrophobicContact CG2-CD1 4.37Å; T104-I396 HydrophobicContact CG2-CG1 3.86Å
105	S	98.8	Very high	98.2	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.014	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.6	173.6	58.7	0	0	0	0	112.3	F67 I68 D69 V103 G136	F67-S105 PolarHBondContact O-N 2.8Å; I68-S105 VanDerWaalsContact CA-O 3.3Å; I68-S105 WeakPolarHBondContact CA-O 3.27Å; I68-S105 WeakPolarHBondContact CG1-OG 3Å; D69-S105 PolarHBondContact N-O 2.84Å; D69-S105 VanDerWaalsContact N-O 3.11Å; V103-S105 WeakPolarHBondContact CG1-O 3.47Å; S105-G136 CarbonylContact C-O 3.58Å; S105-G136 WeakPolarHBondContact CA-O 3.09Å
106	F	98.9	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	165.9	-177.8	73.4	-70.3	0	0	0	112.6	D69 M72 F80 I91 A95 I98 V103 P108 A135 G136 V137 L138	D69-F106 HydrophobicContact CB-CB 4.15Å; D69-F106 CarbonylContact O-C 3.42Å; D69-F106 WeakPolarHBondContact O-CA 3.47Å; D69-F106 VanDerWaalsContact O-CB 3.3Å; D69-F106 WeakPolarHBondContact O-CB 3.29Å; M72-F106 HydrophobicContact CE-CD2 3.35Å; M72-F106 HydrophobicContact CE-CE2 3.4Å; M72-F106 HydrophobicContact CE-CG 4.2Å; M72-F106 HydrophobicContact CE-CZ 4.31Å; F80-F106 AromaticContact CE2-CE2 3.96Å; F80-F106 HydrophobicContact CE2-CE2 3.96Å; F80-F106 AromaticContact CZ-CE2 3.9Å; F80-F106 HydrophobicContact CZ-CE2 3.9Å; I91-F106 HydrophobicContact CG2-CZ 4.1Å; A95-F106 HydrophobicContact CB-CE1 3.71Å; A95-F106 HydrophobicContact CB-CZ 4.1Å; I98-F106 HydrophobicContact CD1-CB 4.29Å; I98-F106 HydrophobicContact CD1-CD1 3.61Å; I98-F106 HydrophobicContact CD1-CD2 4.46Å; I98-F106 HydrophobicContact CD1-CE1 3.99Å; I98-F106 HydrophobicContact CD1-CG 3.88Å; V103-F106 HydrophobicContact CG1-CB 4.25Å; F106-P108 HydrophobicContact CD2-CG 4.12Å; F106-P108 HydrophobicContact CE2-CB 4.24Å; F106-P108 HydrophobicContact CE2-CG 3.57Å; F106-P108 HydrophobicContact CZ-CG 4.13Å; F106-A135 HydrophobicContact CD1-CB 3.97Å; F106-A135 HydrophobicContact CE1-CB 4.23Å; F106-G136 WeakPolarHBondContact CD1-O 3.35Å; F106-G136 PolarHBondContact N-O 3.34Å; F106-V137 HydrophobicContact CE1-CG2 3.77Å; F106-V137 HydrophobicContact CZ-CG2 3.92Å; F106-L138 PolarHBondContact O-N 3.04Å
107	C	98.8	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.6	169.1	-58.9	0	0	0	0	109.1	D69 T109 G139 H141	D69-C107 PolarHBondContact O-N 2.9Å; C107-T109 PolarHBondContact O-N 2.76Å; C107-G139 VanDerWaalsContact CA-O 3.24Å; C107-G139 WeakPolarHBondContact CA-O 3.4Å; C107-G139 WeakPolarHBondContact CB-O 3.25Å; C107-H141 HydrophobicContact CB-CB 4.17Å
108	P	98.5	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	125.1	168	-20.5	29.5	0	0	0	109.6	F80 F106 I125 V137 G139 V140 H141	F80-P108 HydrophobicContact CB-CB 4.49Å; F80-P108 HydrophobicContact CD2-CB 3.6Å; F80-P108 HydrophobicContact CE2-CB 3.88Å; F80-P108 HydrophobicContact CG-CB 4.03Å; F106-P108 HydrophobicContact CD2-CG 4.12Å; F106-P108 HydrophobicContact CE2-CB 4.24Å; F106-P108 HydrophobicContact CE2-CG 3.57Å; F106-P108 HydrophobicContact CZ-CG 4.13Å; P108-I125 HydrophobicContact CB-CD1 4.41Å; P108-I125 HydrophobicContact CG-CG2 4.09Å; P108-V137 HydrophobicContact CG-CG1 3.87Å; P108-V137 HydrophobicContact CG-CG2 4.48Å; P108-G139 WeakPolarHBondContact CD-O 3.45Å; P108-V140 WeakPolarHBondContact O-CA 3.38Å; P108-V140 WeakPolarHBondContact O-CG1 3.34Å; P108-H141 PolarHBondContact O-N 2.94Å
109	T	98.6	Very high	97.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.7	179.2	-56.5	0	0	0	0	110.6	Q71 M72 N73 C107 H141 E143	Q71-T109 WeakPolarHBondContact CA-OG1 3.44Å; M72-T109 PolarHBondContact N-OG1 2.93Å; M72-T109 WeakPolarHBondContact O-CB 3.1Å; M72-T109 PolarHBondContact O-N 2.93Å; N73-T109 WeakPolarHBondContact OD1-CB 3.13Å; N73-T109 WeakPolarHBondContact OD1-CG2 3.5Å; C107-T109 PolarHBondContact O-N 2.76Å; T109-H141 CarbonylContact C-O 3.6Å; T109-H141 WeakPolarHBondContact CA-O 3.46Å; T109-H141 HydrophobicContact CG2-CB 4.26Å; T109-E143 HydrophobicContact CG2-CB 3.82Å
110	M	98	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.9	168.5	-66.1	-174.4	67.8	0	0	110.1	S81 I117 Y118 V121 L122 I125 V140 H141 L142 E143	S81-M110 VanDerWaalsContact OG-CA 3.3Å; S81-M110 WeakPolarHBondContact OG-CA 3.46Å; M110-I117 HydrophobicContact CE-CG2 3.99Å; M110-Y118 HydrophobicContact CB-CD1 4.46Å; M110-Y118 HydrophobicContact CB-CE1 3.95Å; M110-Y118 HydrophobicContact CE-CD1 3.56Å; M110-Y118 HydrophobicContact CE-CE1 3.97Å; M110-Y118 HydrophobicContact CE-CG 4.47Å; M110-Y118 HydrophobicContact SD-CD1 4.1Å; M110-V121 HydrophobicContact CE-CB 3.73Å; M110-V121 HydrophobicContact CE-CG1 3.77Å; M110-V121 HydrophobicContact CE-CG2 4.33Å; M110-V121 HydrophobicContact SD-CB 4.18Å; M110-V121 HydrophobicContact SD-CG1 3.74Å; M110-L122 HydrophobicContact SD-CD2 3.46Å; M110-L122 WeakPolarHBondContact SD-CD2 3.3Å; M110-L122 HydrophobicContact SD-CG 3.87Å; M110-I125 HydrophobicContact SD-CD1 4.28Å; M110-V140 HydrophobicContact CG-CG1 4.17Å; M110-V140 HydrophobicContact SD-CG1 4.42Å; M110-H141 PolarHBondContact N-O 3.27Å; M110-L142 HydrophobicContact CB-CD2 4.14Å; M110-E143 PolarHBondContact O-N 3.27Å
111	V	97.3	Very high	97.6	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.042	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	165	176.2	-59.6	0	0	0	0	111.2	N73 S81 S113 Y118 E143 L308	N73-V111 VanDerWaalsContact OD1-CG1 3.28Å; N73-V111 WeakPolarHBondContact OD1-CG1 3.3Å; S81-V111 PolarHBondContact OG-N 3.18Å; V111-S113 PolarHBondContact O-N 3.17Å; V111-S113 PolarHBondContact O-OG 3.18Å; V111-Y118 PolarHBondContact O-OH 2.94Å; V111-E143 CarbonylContact C-O 3.4Å; V111-E143 WeakPolarHBondContact CA-O 3.25Å; V111-L308 HydrophobicContact CG1-CD1 4.33Å; V111-L308 HydrophobicContact CG2-CG 4.45Å
112	T	98.1	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-37	110.1	173	-63	0	0	0	0	111.7	Y118 E143 P145 H155 P156 L160 Q310	T112-Y118 VanDerWaalsContact CA-OH 3.25Å; T112-Y118 WeakPolarHBondContact CA-OH 3.24Å; T112-E143 PolarHBondContact N-O 2.75Å; T112-P145 HydrophobicContact CG2-CB 3.55Å; T112-P145 WeakPolarHBondContact OG1-CA 3.49Å; T112-H155 VanDerWaalsContact CB-ND1 3.3Å; T112-H155 WeakPolarHBondContact CB-ND1 3.32Å; T112-H155 HydrophobicContact CG2-CB 4.45Å; T112-H155 PolarHBondContact N-ND1 3.33Å; T112-H155 PolarHBondContact OG1-ND1 3.08Å; T112-P156 HydrophobicContact CG2-CG 4.1Å; T112-P156 WeakPolarHBondContact O-CD 3.4Å; T112-P156 WeakPolarHBondContact O-CG 3.19Å; T112-L160 HydrophobicContact CG2-CD2 3.91Å; T112-Q310 PolarHBondContact O-OE1 3.48Å
113	S	97.3	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.			trans	-134.3	165	-178.1	-67.2	0	0	0	0	110.9	V111 Y118 Q310	V111-S113 PolarHBondContact O-N 3.17Å; V111-S113 PolarHBondContact O-OG 3.18Å; S113-Y118 PolarHBondContact N-OH 3.49Å; S113-Y118 WeakPolarHBondContact O-CE2 3.47Å; S113-Q310 PolarHBondContact OG-NE2 3.32Å; S113-Q310 PolarHBondContact OG-OE1 3.47Å
114	P	96.3	Very high	97	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.039	14%	0.136	C	C	.	.			trans	-59.7	147.3	167.8	-21.7	32.3	0	0	0	112.2	E116 I117 Y118 Y159	P114-E116 HydrophobicContact CB-CG 4.07Å; P114-E116 WeakPolarHBondContact CB-OE1 3.29Å; P114-E116 WeakPolarHBondContact CB-OE2 3.39Å; P114-E116 PolarHBondContact O-N 3.27Å; P114-I117 HydrophobicContact CB-CG1 4.38Å; P114-I117 HydrophobicContact CG-CG1 4.31Å; P114-I117 WeakPolarHBondContact O-CB 3.45Å; P114-I117 PolarHBondContact O-N 3.2Å; P114-Y118 PolarHBondContact O-N 3.4Å; P114-Y159 HydrophobicContact CB-CD1 4.47Å; P114-Y159 HydrophobicContact CB-CE1 4.44Å; P114-Y159 HydrophobicContact CG-CD1 3.93Å; P114-Y159 HydrophobicContact CG-CD2 3.93Å; P114-Y159 HydrophobicContact CG-CE1 3.67Å; P114-Y159 HydrophobicContact CG-CE2 3.71Å; P114-Y159 HydrophobicContact CG-CG 4.07Å
115	P	96.9	Very high	96.8	Very high	22 Å²	22	26.9 Å²	26.9	14%	0.143	14%	0.137	C	C	.	.	H	α-helix	trans	-52.2	-38.9	178.6	-28.8	36.3	0	0	0	114.1	I117 Y118 H119 R161 T174	P115-I117 PolarHBondContact O-N 2.81Å; P115-Y118 PolarHBondContact O-N 3.4Å; P115-Y118 VanDerWaalsContact O-N 3.1Å; P115-H119 PolarHBondContact O-CD2 2.96Å; P115-H119 PolarHBondContact O-N 3.06Å; P115-R161 VanDerWaalsContact CG-CZ 3.48Å; P115-T174 WeakPolarHBondContact CA-O 3.24Å
116	E	96.4	Very high	96.3	Very high	123 Å²	123	29 Å²	29	58%	0.575	15%	0.15	S	C	*	.	H	α-helix	trans	-60.8	-28.2	178.8	62.6	-88.6	-155.3	0	0	113.1	P114 K120	P114-E116 HydrophobicContact CB-CG 4.07Å; P114-E116 WeakPolarHBondContact CB-OE1 3.29Å; P114-E116 WeakPolarHBondContact CB-OE2 3.39Å; P114-E116 PolarHBondContact O-N 3.27Å; E116-K120 VanDerWaalsContact O-CB 3.27Å; E116-K120 WeakPolarHBondContact O-CB 3.19Å; E116-K120 PolarHBondContact O-N 2.72Å
117	I	96.5	Very high	96.2	Very high	30 Å²	30	33 Å²	33	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-73.2	-47.3	174.5	-62.8	-60.6	0	0	0	110	S81 A83 M110 P114 P115 H119 K120 V121	S81-I117 WeakPolarHBondContact O-CG2 3.49Å; A83-I117 HydrophobicContact CB-CD1 3.67Å; M110-I117 HydrophobicContact CE-CG2 3.99Å; P114-I117 HydrophobicContact CB-CG1 4.38Å; P114-I117 HydrophobicContact CG-CG1 4.31Å; P114-I117 WeakPolarHBondContact O-CB 3.45Å; P114-I117 PolarHBondContact O-N 3.2Å; P115-I117 PolarHBondContact O-N 2.81Å; I117-H119 PolarHBondContact O-N 2.86Å; I117-K120 PolarHBondContact O-N 3.37Å; I117-V121 HydrophobicContact CG2-CG2 4.04Å; I117-V121 VanDerWaalsContact O-CB 3.28Å; I117-V121 WeakPolarHBondContact O-CB 3.19Å; I117-V121 VanDerWaalsContact O-CG2 3.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3.02Å
118	Y	97.4	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-48	176.2	-65.5	-62.4	0	0	0	111.4	M110 V111 T112 S113 P114 P115 K120 V121 L122 L142 G144 P145 T174 Y175	M110-Y118 HydrophobicContact CB-CD1 4.46Å; M110-Y118 HydrophobicContact CB-CE1 3.95Å; M110-Y118 HydrophobicContact CE-CD1 3.56Å; M110-Y118 HydrophobicContact CE-CE1 3.97Å; M110-Y118 HydrophobicContact CE-CG 4.47Å; M110-Y118 HydrophobicContact SD-CD1 4.1Å; V111-Y118 PolarHBondContact O-OH 2.94Å; T112-Y118 VanDerWaalsContact CA-OH 3.25Å; T112-Y118 WeakPolarHBondContact CA-OH 3.24Å; S113-Y118 PolarHBondContact N-OH 3.49Å; S113-Y118 WeakPolarHBondContact O-CE2 3.47Å; P114-Y118 PolarHBondContact O-N 3.4Å; P115-Y118 PolarHBondContact O-N 3.4Å; P115-Y118 VanDerWaalsContact O-N 3.1Å; Y118-K120 PolarHBondContact O-N 3.47Å; Y118-V121 PolarHBondContact O-N 2.73Å; Y118-L122 HydrophobicContact CD1-CD1 4.25Å; Y118-L122 VanDerWaalsContact O-CB 3.25Å; Y118-L122 WeakPolarHBondContact O-CB 3.46Å; Y118-L122 WeakPolarHBondContact O-CG 3.18Å; Y118-L122 PolarHBondContact O-N 3.03Å; Y118-L142 HydrophobicContact CD1-CD2 3.94Å; Y118-L142 HydrophobicContact CE1-CD2 3.83Å; Y118-G144 PolarHBondContact OH-O 3.43Å; Y118-P145 HydrophobicContact CE2-CG 4.44Å; Y118-T174 HydrophobicContact CD2-CG2 4.21Å; Y118-T174 HydrophobicContact CE2-CG2 4.2Å; Y118-Y175 AromaticContact CD1-CD1 3.92Å; Y118-Y175 HydrophobicContact CD1-CD1 3.92Å; Y118-Y175 HydrophobicContact CD1-CE1 4.36Å; Y118-Y175 AromaticContact CD2-CD1 3.83Å; Y118-Y175 HydrophobicContact CD2-CD1 3.83Å; Y118-Y175 HydrophobicContact CD2-CE1 4.26Å; Y118-Y175 HydrophobicContact CE1-CD1 4.08Å; Y118-Y175 HydrophobicContact CE1-CE1 4.03Å; Y118-Y175 AromaticContact CE2-CD1 3.97Å; Y118-Y175 HydrophobicContact CE2-CD1 3.97Å; Y118-Y175 AromaticContact CE2-CE1 3.91Å; Y118-Y175 HydrophobicContact CE2-CE1 3.91Å; Y118-Y175 AromaticContact CG-CD1 3.81Å; Y118-Y175 HydrophobicContact CG-CD1 3.81Å; Y118-Y175 HydrophobicContact CG-CE1 4.48Å; Y118-Y175 AromaticContact CZ-CE1 3.8Å
119	H	96	Very high	95.9	Very high	90 Å²	90	42.1 Å²	42.1	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-30.7	-178.8	-68	-167.5	0	0	0	112.6	P115 I117 P123 A173 T174 Y175 G176	P115-H119 PolarHBondContact O-CD2 2.96Å; P115-H119 PolarHBondContact O-N 3.06Å; I117-H119 PolarHBondContact O-N 2.86Å; H119-P123 VanDerWaalsContact O-CD 3.28Å; H119-P123 WeakPolarHBondContact O-CD 3.41Å; H119-P123 WeakPolarHBondContact O-CG 3.24Å; H119-A173 PolarHBondContact CE1-O 3.19Å; H119-A173 PolarHBondContact NE2-O 3.01Å; H119-T174 PolarHBondContact CD2-O 3.08Å; H119-T174 PolarHBondContact NE2-O 2.89Å; H119-Y175 PolarHBondContact CD2-O 3.37Å; H119-G176 PolarHBondContact NE2-N 3.24Å
120	K	94.8	Very high	95.7	Very high	103 Å²	103	42.9 Å²	42.9	45%	0.448	23%	0.234	S	C	.	.	H	α-helix	trans	-83.1	-43.6	177.2	-177.6	168.5	170.2	-173.1	0	112.4	A83 E116 I117 Y118 Q124	A83-K120 HydrophobicContact CB-CD 3.78Å; A83-K120 HydrophobicContact CB-CG 4.34Å; E116-K120 VanDerWaalsContact O-CB 3.27Å; E116-K120 WeakPolarHBondContact O-CB 3.19Å; E116-K120 PolarHBondContact O-N 2.72Å; I117-K120 PolarHBondContact O-N 3.37Å; Y118-K120 PolarHBondContact O-N 3.47Å; K120-Q124 PolarHBondContact O-NE2 3.28Å
121	V	95.4	Very high	95.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-85.2	-46.8	-169.7	174.8	0	0	0	0	111.4	F80 A83 V87 M110 I117 Y118 Q124 I125	F80-V121 WeakPolarHBondContact O-CG1 3.27Å; A83-V121 HydrophobicContact CB-CG2 4.09Å; V87-V121 HydrophobicContact CG1-CG1 3.96Å; V87-V121 HydrophobicContact CG2-CG1 4.28Å; V87-V121 HydrophobicContact CG2-CG2 4.24Å; M110-V121 HydrophobicContact CE-CB 3.73Å; M110-V121 HydrophobicContact CE-CG1 3.77Å; M110-V121 HydrophobicContact CE-CG2 4.33Å; M110-V121 HydrophobicContact SD-CB 4.18Å; M110-V121 HydrophobicContact SD-CG1 3.74Å; I117-V121 HydrophobicContact CG2-CG2 4.04Å; I117-V121 VanDerWaalsContact O-CB 3.28Å; I117-V121 WeakPolarHBondContact O-CB 3.19Å; I117-V121 VanDerWaalsContact O-CG2 3.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3.02Å; Y118-V121 PolarHBondContact O-N 2.73Å; V121-Q124 WeakPolarHBondContact O-CB 3.32Å; V121-Q124 PolarHBondContact O-N 3.39Å; V121-I125 HydrophobicContact CG1-CD1 3.98Å; V121-I125 HydrophobicContact CG1-CG1 4.21Å; V121-I125 PolarHBondContact O-N 3.48Å
122	L	95.9	Very high	95.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-53.7	-50.7	-173.8	-71	173.8	0	0	0	112.3	M110 Y118 Q124 I125 V140 L142 Y175 N180	M110-L122 HydrophobicContact SD-CD2 3.46Å; M110-L122 WeakPolarHBondContact SD-CD2 3.3Å; M110-L122 HydrophobicContact SD-CG 3.87Å; Y118-L122 HydrophobicContact CD1-CD1 4.25Å; Y118-L122 VanDerWaalsContact O-CB 3.25Å; Y118-L122 WeakPolarHBondContact O-CB 3.46Å; Y118-L122 WeakPolarHBondContact O-CG 3.18Å; Y118-L122 PolarHBondContact O-N 3.03Å; L122-Q124 PolarHBondContact O-N 2.89Å; L122-I125 PolarHBondContact O-N 3.04Å; L122-V140 HydrophobicContact CD2-CB 3.99Å; L122-V140 HydrophobicContact CD2-CG1 3.6Å; L122-V140 HydrophobicContact CD2-CG2 3.9Å; L122-L142 HydrophobicContact CD1-CD1 4.49Å; L122-L142 HydrophobicContact CD1-CD2 4.14Å; L122-L142 HydrophobicContact CD2-CD2 3.87Å; L122-Y175 WeakPolarHBondContact CD1-O 3.18Å; L122-N180 PolarHBondContact O-ND2 2.95Å
123	P	94	Very high	95	Very high	103 Å²	103	55.2 Å²	55.2	67%	0.669	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.5	-16.8	-178.2	-22.8	35.7	0	0	0	114.5	H119	H119-P123 VanDerWaalsContact O-CD 3.28Å; H119-P123 WeakPolarHBondContact O-CD 3.41Å; H119-P123 WeakPolarHBondContact O-CG 3.24Å
124	Q	93.8	Very high	95	Very high	72 Å²	72	55.5 Å²	55.5	34%	0.336	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-91.4	-11.3	179.7	-60.9	-176.3	57.3	0	0	113.3	V87 K120 V121 L122 P126	V87-Q124 HydrophobicContact CB-CB 3.99Å; V87-Q124 HydrophobicContact CG1-CB 4.28Å; V87-Q124 HydrophobicContact CG2-CB 4.48Å; K120-Q124 PolarHBondContact O-NE2 3.28Å; V121-Q124 WeakPolarHBondContact O-CB 3.32Å; V121-Q124 PolarHBondContact O-N 3.39Å; L122-Q124 PolarHBondContact O-N 2.89Å; Q124-P126 VanDerWaalsContact O-CD 3.24Å; Q124-P126 WeakPolarHBondContact O-CD 3.49Å
125	I	94.2	Very high	95.1	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	30%	0.304	C	S	.	.	S	Bend	trans	-82	110.3	178.2	-56.2	-168.4	0	0	0	109.4	V87 I91 P108 M110 V121 L122 V127 V137 V140 N180	V87-I125 HydrophobicContact CG1-CG1 4.09Å; I91-I125 HydrophobicContact CD1-CB 3.98Å; I91-I125 HydrophobicContact CD1-CD1 3.88Å; I91-I125 HydrophobicContact CD1-CG1 3.53Å; I91-I125 HydrophobicContact CD1-CG2 3.73Å; P108-I125 HydrophobicContact CB-CD1 4.41Å; P108-I125 HydrophobicContact CG-CG2 4.09Å; M110-I125 HydrophobicContact SD-CD1 4.28Å; V121-I125 HydrophobicContact CG1-CD1 3.98Å; V121-I125 HydrophobicContact CG1-CG1 4.21Å; V121-I125 PolarHBondContact O-N 3.48Å; L122-I125 PolarHBondContact O-N 3.04Å; I125-V127 PolarHBondContact O-N 2.93Å; I125-V137 HydrophobicContact CG2-CG1 4.03Å; I125-V140 HydrophobicContact CB-CG2 3.92Å; I125-V140 HydrophobicContact CD1-CG2 3.75Å; I125-V140 HydrophobicContact CG1-CG2 4.34Å; I125-V140 HydrophobicContact CG2-CG2 3.73Å; I125-N180 PolarHBondContact O-ND2 2.96Å; I125-N180 VanDerWaalsContact O-ND2 3.08Å
126	P	89.9	Confident	95.2	Very high	47 Å²	47	54.3 Å²	54.3	31%	0.305	30%	0.299	S	S	.	.			trans	-79.4	125.5	-176.6	31.9	-32.1	0	0	0	110.3	Q124 K128 V137	Q124-P126 VanDerWaalsContact O-CD 3.24Å; Q124-P126 WeakPolarHBondContact O-CD 3.49Å; P126-K128 HydrophobicContact CB-CD 4.33Å; P126-K128 HydrophobicContact CG-CD 4.18Å; P126-K128 PolarHBondContact O-N 3.49Å; P126-V137 WeakPolarHBondContact O-CB 3.47Å; P126-V137 WeakPolarHBondContact O-CG1 3.48Å
127	V	95.8	Very high	95.3	Very high	83 Å²	83	48.5 Å²	48.5	50%	0.503	27%	0.272	S	S	.	.			trans	-76.4	116.4	161.7	-173	0	0	0	0	107.6	I125 V137 N180	I125-V127 PolarHBondContact O-N 2.93Å; V127-V137 WeakPolarHBondContact CA-O 3.38Å; V127-V137 WeakPolarHBondContact CG1-O 3.49Å; V127-N180 HydrophobicContact CG2-CB 3.52Å
128	K	95.5	Very high	95.4	Very high	94 Å²	94	48.4 Å²	48.4	41%	0.409	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-153.9	147.1	-176	64	-179.7	-178.2	-178.5	0	111.8	P126 G136 V137	P126-K128 HydrophobicContact CB-CD 4.33Å; P126-K128 HydrophobicContact CG-CD 4.18Å; P126-K128 PolarHBondContact O-N 3.49Å; K128-G136 CarbonylContact O-C 3.56Å; K128-G136 VanDerWaalsContact O-CA 3.25Å; K128-G136 WeakPolarHBondContact O-CA 3.31Å; K128-V137 PolarHBondContact N-O 3Å; K128-V137 PolarHBondContact O-N 3.09Å
129	S	95.1	Very high	95.4	Very high	99 Å²	99	48.4 Å²	48.4	69%	0.692	27%	0.272	S	S	*	.			trans	-60.6	150	167.9	-54.9	0	0	0	0	110.8
130	G	95.7	Very high	95.6	Very high	15 Å²	15	44.1 Å²	44.1	16%	0.155	25%	0.252	C	S	.	.			trans	-69.5	173.4	172	0	0	0	0	0	111.8	G134 G136 I396	G130-G134 VanDerWaalsContact CA-O 3.3Å; G130-G134 WeakPolarHBondContact CA-O 3.4Å; G130-G136 VanDerWaalsContact CA-CA 3.49Å; G130-G136 VanDerWaalsContact CA-N 3.28Å; G130-I396 VanDerWaalsContact C-CG2 3.46Å
131	G	95.6	Very high	95.8	Very high	13 Å²	13	39.2 Å²	39.2	13%	0.134	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	175.9	-155.2	173.6	0	0	0	0	0	112	H133 G134	G131-H133 PolarHBondContact O-N 2.9Å; G131-G134 PolarHBondContact N-O 3.38Å; G131-G134 PolarHBondContact O-N 3.45Å; G131-G134 VanDerWaalsContact O-N 3.08Å
132	P	91.8	Very high	95.9	Very high	94 Å²	94	39.2 Å²	39.2	61%	0.61	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-16.8	-176.1	-27.5	35.3	0	0	0	115.8
133	H	90.4	Very high	96	Very high	159 Å²	159	39.3 Å²	39.3	74%	0.736	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-3	-175.3	-56.8	-51.4	0	0	0	114.1	G131	G131-H133 PolarHBondContact O-N 2.9Å
134	G	97.6	Very high	96.2	Very high	6 Å²	6	34.4 Å²	34.4	6%	0.062	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	151.4	171.1	179.1	0	0	0	0	0	114.3	A95 G130 G131	A95-G134 WeakPolarHBondContact O-CA 3.48Å; G130-G134 VanDerWaalsContact CA-O 3.3Å; G130-G134 WeakPolarHBondContact CA-O 3.4Å; G131-G134 PolarHBondContact N-O 3.38Å; G131-G134 PolarHBondContact O-N 3.45Å; G131-G134 VanDerWaalsContact O-N 3.08Å
135	A	98.6	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.008	18%	0.183	C	C	.	.			trans	-56	151	171.2	0	0	0	0	0	112.2	A95 I98 L99 T104 F106	A95-A135 HydrophobicContact CB-CB 4.41Å; A95-A135 WeakPolarHBondContact O-CB 3.49Å; A95-A135 PolarHBondContact O-N 2.96Å; I98-A135 HydrophobicContact CD1-CB 3.91Å; I98-A135 HydrophobicContact CG1-CB 4.03Å; L99-A135 HydrophobicContact CD2-CB 4.25Å; T104-A135 CarbonylContact O-C 3.59Å; T104-A135 VanDerWaalsContact O-CA 3.24Å; T104-A135 WeakPolarHBondContact O-CA 3.29Å; T104-A135 WeakPolarHBondContact O-CB 3.38Å; F106-A135 HydrophobicContact CD1-CB 3.97Å; F106-A135 HydrophobicContact CE1-CB 4.23Å
136	G	98.4	Very high	96.6	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.8	174.3	0	0	0	0	0	112.1	T104 S105 F106 K128 G130	T104-G136 PolarHBondContact O-N 2.81Å; S105-G136 CarbonylContact C-O 3.58Å; S105-G136 WeakPolarHBondContact CA-O 3.09Å; F106-G136 WeakPolarHBondContact CD1-O 3.35Å; F106-G136 PolarHBondContact N-O 3.34Å; K128-G136 CarbonylContact O-C 3.56Å; K128-G136 VanDerWaalsContact O-CA 3.25Å; K128-G136 WeakPolarHBondContact O-CA 3.31Å; G130-G136 VanDerWaalsContact CA-CA 3.49Å; G130-G136 VanDerWaalsContact CA-N 3.28Å
137	V	98.6	Very high	97	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.4	172.5	174.3	0	0	0	0	107.3	I91 F106 P108 I125 P126 V127 K128 G139	I91-V137 HydrophobicContact CG2-CG2 3.91Å; F106-V137 HydrophobicContact CE1-CG2 3.77Å; F106-V137 HydrophobicContact CZ-CG2 3.92Å; P108-V137 HydrophobicContact CG-CG1 3.87Å; P108-V137 HydrophobicContact CG-CG2 4.48Å; I125-V137 HydrophobicContact CG2-CG1 4.03Å; P126-V137 WeakPolarHBondContact O-CB 3.47Å; P126-V137 WeakPolarHBondContact O-CG1 3.48Å; V127-V137 WeakPolarHBondContact CA-O 3.38Å; V127-V137 WeakPolarHBondContact CG1-O 3.49Å; K128-V137 PolarHBondContact N-O 3Å; K128-V137 PolarHBondContact O-N 3.09Å; V137-G139 VanDerWaalsContact C-N 3.27Å; V137-G139 PolarHBondContact O-N 3.22Å
138	L	98.5	Very high	97.1	Very high	27 Å²	27	25.2 Å²	25.2	14%	0.141	15%	0.147	C	C	.	.			trans	-81.9	-8.4	-175.7	-59.5	-179.3	0	0	0	113.3	I68 F106 L365 L367 K371	I68-L138 HydrophobicContact CG2-CD1 3.55Å; F106-L138 PolarHBondContact O-N 3.04Å; L138-L365 HydrophobicContact CB-CD1 4.47Å; L138-L365 HydrophobicContact CD1-CD1 3.73Å; L138-L367 HydrophobicContact CD1-CD1 3.86Å; L138-L367 HydrophobicContact CD2-CD1 3.95Å; L138-L367 HydrophobicContact CG-CD1 4.44Å; L138-K371 HydrophobicContact CD2-CD 4.45Å
139	G	98.3	Very high	97.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	16%	0.156	C	C	.	.			trans	125.9	172	-173.2	0	0	0	0	0	110.7	C107 P108 V137 N180	C107-G139 VanDerWaalsContact CA-O 3.24Å; C107-G139 WeakPolarHBondContact CA-O 3.4Å; C107-G139 WeakPolarHBondContact CB-O 3.25Å; P108-G139 WeakPolarHBondContact CD-O 3.45Å; V137-G139 VanDerWaalsContact C-N 3.27Å; V137-G139 PolarHBondContact O-N 3.22Å; G139-N180 CarbonylContact C-O 3.56Å; G139-N180 WeakPolarHBondContact CA-O 3.39Å
140	V	98.8	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140	-173.4	-176.7	0	0	0	0	110.4	P108 M110 L122 I125 L142 N180 R182 I183	P108-V140 WeakPolarHBondContact O-CA 3.38Å; P108-V140 WeakPolarHBondContact O-CG1 3.34Å; M110-V140 HydrophobicContact CG-CG1 4.17Å; M110-V140 HydrophobicContact SD-CG1 4.42Å; L122-V140 HydrophobicContact CD2-CB 3.99Å; L122-V140 HydrophobicContact CD2-CG1 3.6Å; L122-V140 HydrophobicContact CD2-CG2 3.9Å; I125-V140 HydrophobicContact CB-CG2 3.92Å; I125-V140 HydrophobicContact CD1-CG2 3.75Å; I125-V140 HydrophobicContact CG1-CG2 4.34Å; I125-V140 HydrophobicContact CG2-CG2 3.73Å; V140-L142 HydrophobicContact CG1-CD2 4.05Å; V140-L142 HydrophobicContact CG1-CG 4.39Å; V140-N180 PolarHBondContact N-O 3.34Å; V140-R182 PolarHBondContact O-N 3.2Å; V140-I183 PolarHBondContact O-N 3.11Å
141	H	98.9	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.1	164.5	177.1	-176.1	0	0	0	108.8	V70 C107 P108 T109 M110 I183 T185	V70-H141 PolarHBondContact O-ND1 2.98Å; C107-H141 HydrophobicContact CB-CB 4.17Å; P108-H141 PolarHBondContact O-N 2.94Å; T109-H141 CarbonylContact C-O 3.6Å; T109-H141 WeakPolarHBondContact CA-O 3.46Å; T109-H141 HydrophobicContact CG2-CB 4.26Å; M110-H141 PolarHBondContact N-O 3.27Å; H141-I183 CarbonylContact C-O 3.46Å; H141-I183 WeakPolarHBondContact CA-O 3.49Å; H141-I183 HydrophobicContact CB-CB 4.05Å; H141-I183 HydrophobicContact CB-CD1 4.42Å; H141-T185 PolarHBondContact NE2-OG1 2.98Å
142	L	98.9	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	110.1	173.6	-65.4	175.9	0	0	0	109.9	M110 Y118 L122 V140 Y175 L178 V181 I183 V184 T185	M110-L142 HydrophobicContact CB-CD2 4.14Å; Y118-L142 HydrophobicContact CD1-CD2 3.94Å; Y118-L142 HydrophobicContact CE1-CD2 3.83Å; L122-L142 HydrophobicContact CD1-CD1 4.49Å; L122-L142 HydrophobicContact CD1-CD2 4.14Å; L122-L142 HydrophobicContact CD2-CD2 3.87Å; V140-L142 HydrophobicContact CG1-CD2 4.05Å; V140-L142 HydrophobicContact CG1-CG 4.39Å; L142-Y175 HydrophobicContact CB-CE1 4.16Å; L142-Y175 HydrophobicContact CD1-CD1 3.63Å; L142-Y175 HydrophobicContact CD1-CD2 3.76Å; L142-Y175 HydrophobicContact CD1-CE1 3.8Å; L142-Y175 HydrophobicContact CD1-CE2 3.93Å; L142-Y175 HydrophobicContact CD1-CG 3.6Å; L142-Y175 HydrophobicContact CD2-CD1 4.12Å; L142-Y175 HydrophobicContact CD2-CE1 4.16Å; L142-Y175 HydrophobicContact CG-CD1 4.39Å; L142-Y175 HydrophobicContact CG-CE1 4.28Å; L142-L178 HydrophobicContact CD1-CD2 4.41Å; L142-V181 HydrophobicContact CD1-CB 4.42Å; L142-V181 HydrophobicContact CD1-CG1 3.8Å; L142-V181 HydrophobicContact CD1-CG2 3.67Å; L142-V181 HydrophobicContact CG-CG1 4.13Å; L142-V181 HydrophobicContact CG-CG2 4.24Å; L142-I183 PolarHBondContact N-O 2.64Å; L142-V184 HydrophobicContact CB-CG2 4.25Å; L142-V184 HydrophobicContact CD1-CG2 4.24Å; L142-V184 CarbonylContact O-C 3.51Å; L142-V184 WeakPolarHBondContact O-CA 3.43Å; L142-T185 PolarHBondContact O-N 3.13Å
143	E	98.7	Very high	97.2	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	94	178.5	-166.5	175.8	-173.5	0	0	111.1	Q71 T109 M110 V111 T112 H155 T185 H211 H232	Q71-E143 PolarHBondContact NE2-OE1 2.78Å; Q71-E143 VanDerWaalsContact NE2-OE1 3.12Å; Q71-E143 PolarHBondContact NE2-OE2 3Å; T109-E143 HydrophobicContact CG2-CB 3.82Å; M110-E143 PolarHBondContact O-N 3.27Å; V111-E143 CarbonylContact C-O 3.4Å; V111-E143 WeakPolarHBondContact CA-O 3.25Å; T112-E143 PolarHBondContact N-O 2.75Å; E143-H155 PolarHBondContact O-CE1 3.42Å; E143-H155 PolarHBondContact O-ND1 2.95Å; E143-T185 HydrophobicContact CG-CG2 4.22Å; E143-H211 IonicContact OE1-CD2 2.65Å; E143-H211 PolarHBondContact OE1-CD2 3.41Å; E143-H211 IonicContact OE1-NE2 2.68Å; E143-H211 PolarHBondContact OE1-NE2 2.82Å; E143-H232 IonicContact OE1-CD2 3.35Å; E143-H232 IonicContact OE1-CE1 3.66Å; E143-H232 IonicContact OE1-NE2 2.72Å; E143-H232 PolarHBondContact OE1-NE2 3.49Å
144	G	97.6	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.			trans	79.7	177.9	-166.8	0	0	0	0	0	113.1	Y118 Y175 T185	Y118-G144 PolarHBondContact OH-O 3.43Å; G144-Y175 WeakPolarHBondContact O-CE1 3.39Å; G144-Y175 PolarHBondContact O-OH 3.04Å; G144-T185 PolarHBondContact N-O 3.13Å
145	P	98	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	S	Bend	cis	-92.2	3.4	19.1	36.3	-36.9	0	0	0	116.2	T112 Y118 I147 Y159 R161 T174 Y175	T112-P145 HydrophobicContact CG2-CB 3.55Å; T112-P145 WeakPolarHBondContact OG1-CA 3.49Å; Y118-P145 HydrophobicContact CE2-CG 4.44Å; P145-I147 PolarHBondContact O-N 2.84Å; P145-Y159 WeakPolarHBondContact CB-O 3.42Å; P145-R161 HydrophobicContact CB-CB 4.44Å; P145-R161 HydrophobicContact CB-CG 4.31Å; P145-R161 HydrophobicContact CG-CB 4.17Å; P145-R161 HydrophobicContact CG-CG 4Å; P145-R161 PolarHBondContact O-N 2.8Å; P145-T174 HydrophobicContact CG-CG2 3.58Å; P145-Y175 VanDerWaalsContact CD-CE1 3.43Å; P145-Y175 VanDerWaalsContact CD-OH 3.23Å; P145-Y175 WeakPolarHBondContact CD-OH 3.48Å
146	F	98.6	Very high	96.9	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	13%	0.129	C	C	.	.	S	Bend	trans	-81.1	61	179	-55.9	-76.4	0	0	0	112	R161 F163 D170 V171 T174 Y175 L186 A187 L190	F146-R161 HydrophobicContact CD1-CB 3.86Å; F146-R161 HydrophobicContact CE1-CB 3.65Å; F146-R161 HydrophobicContact CZ-CB 4.35Å; F146-F163 HydrophobicContact CB-CE1 3.91Å; F146-F163 HydrophobicContact CB-CE2 4.26Å; F146-F163 HydrophobicContact CB-CZ 3.52Å; F146-F163 AromaticContact CD1-CD1 3.67Å; F146-F163 HydrophobicContact CD1-CD1 3.67Å; F146-F163 AromaticContact CD1-CE1 3.21Å; F146-F163 HydrophobicContact CD1-CE1 3.21Å; F146-F163 HydrophobicContact CD1-CG 4.49Å; F146-F163 AromaticContact CD1-CZ 3.74Å; F146-F163 HydrophobicContact CD1-CZ 3.74Å; F146-F163 AromaticContact CD2-CE1 3.96Å; F146-F163 HydrophobicContact CD2-CE1 3.96Å; F146-F163 HydrophobicContact CD2-CZ 4.3Å; F146-F163 AromaticContact CE1-CD1 3.79Å; F146-F163 HydrophobicContact CE1-CD1 3.79Å; F146-F163 AromaticContact CE1-CE1 3.6Å; F146-F163 HydrophobicContact CE1-CE1 3.6Å; F146-F163 HydrophobicContact CE2-CE1 4.29Å; F146-F163 HydrophobicContact CG-CD1 4.31Å; F146-F163 AromaticContact CG-CE1 3.41Å; F146-F163 HydrophobicContact CG-CE1 3.41Å; F146-F163 VanDerWaalsContact CG-CE1 3.41Å; F146-F163 AromaticContact CG-CZ 3.59Å; F146-F163 HydrophobicContact CG-CZ 3.59Å; F146-F163 HydrophobicContact CZ-CE1 4.12Å; F146-D170 HydrophobicContact CE1-CB 4.3Å; F146-D170 HydrophobicContact CZ-CB 4.39Å; F146-V171 HydrophobicContact CD2-CG2 4.46Å; F146-V171 HydrophobicContact CE2-CB 4.44Å; F146-V171 HydrophobicContact CE2-CG2 3.98Å; F146-V171 HydrophobicContact CZ-CG2 4.22Å; F146-T174 HydrophobicContact CE2-CG2 4.2Å; F146-T174 HydrophobicContact CZ-CG2 4.28Å; F146-T174 WeakPolarHBondContact CZ-OG1 3.18Å; F146-Y175 AromaticContact CD2-CE2 4Å; F146-Y175 HydrophobicContact CD2-CE2 4Å; F146-Y175 AromaticContact CD2-CZ 3.98Å; F146-Y175 HydrophobicContact CE2-CD2 4.42Å; F146-Y175 AromaticContact CE2-CE2 3.65Å; F146-Y175 HydrophobicContact CE2-CE2 3.65Å; F146-Y175 AromaticContact CE2-CZ 3.87Å; F146-L186 HydrophobicContact CB-CB 4.31Å; F146-L186 CarbonylContact O-C 3.52Å; F146-L186 VanDerWaalsContact O-CA 3.24Å; F146-L186 WeakPolarHBondContact O-CA 3.24Å; F146-L186 WeakPolarHBondContact O-CB 3.39Å; F146-A187 PolarHBondContact O-N 3.33Å; F146-L190 VanDerWaalsContact C-CD1 3.41Å; F146-L190 HydrophobicContact CB-CD1 4.16Å; F146-L190 WeakPolarHBondContact O-CD1 3.48Å
147	I	98.5	Very high	96.6	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-128.3	165.1	-176.2	58.7	173.5	0	0	0	111.2	P145 H155 L160 H211	P145-I147 PolarHBondContact O-N 2.84Å; I147-H155 HydrophobicContact CD1-CB 3.75Å; I147-H155 VanDerWaalsContact CD1-CG 3.49Å; I147-L160 HydrophobicContact CD1-CD2 3.85Å; I147-L160 HydrophobicContact CG1-CD2 3.47Å; I147-L160 VanDerWaalsContact CG1-CD2 3.47Å; I147-H211 HydrophobicContact CB-CB 3.56Å; I147-H211 HydrophobicContact CD1-CB 3.79Å; I147-H211 HydrophobicContact CG1-CB 4.19Å; I147-H211 HydrophobicContact CG2-CB 3.7Å
148	S	98.1	Very high	96.5	Very high	8 Å²	8	34 Å²	34	6%	0.056	18%	0.178	C	C	.	.			trans	-65.9	133.9	-179.9	-173.4	0	0	0	0	112	E150 K151 R152 E189 H211	S148-E150 VanDerWaalsContact C-N 3.27Å; S148-E150 PolarHBondContact O-N 3.05Å; S148-E150 PolarHBondContact OG-N 3.02Å; S148-K151 CarbonylContact O-C 3.59Å; S148-K151 PolarHBondContact O-N 3.34Å; S148-R152 PolarHBondContact O-N 3.28Å; S148-E189 VanDerWaalsContact CB-OE1 3.28Å; S148-E189 WeakPolarHBondContact CB-OE1 3.24Å; S148-H211 WeakPolarHBondContact CA-O 3.36Å; S148-H211 WeakPolarHBondContact CB-O 3.17Å; S148-H211 PolarHBondContact N-O 2.84Å
149	R	97.1	Very high	96.4	Very high	156 Å²	156	36.6 Å²	36.6	59%	0.589	19%	0.186	S	C	*	.	S	Bend	trans	-61	-38.3	170.5	-176.1	178.5	-70.9	-133.2	6.5	112	K151 R152 E157 L160	R149-K151 VanDerWaalsContact C-N 3.29Å; R149-K151 PolarHBondContact O-N 2.82Å; R149-R152 WeakPolarHBondContact O-CG 3.39Å; R149-E157 VanDerWaalsContact CD-OE1 3.32Å; R149-E157 WeakPolarHBondContact CD-OE1 3.45Å; R149-E157 HydrophobicContact CG-CG 4.21Å; R149-E157 IonicContact CZ-OE1 2.72Å; R149-E157 IonicContact NE-OE1 3.37Å; R149-E157 IonicContact NH1-OE1 3.24Å; R149-E157 PolarHBondContact NH1-OE1 3.07Å; R149-L160 HydrophobicContact CB-CD1 4.01Å; R149-L160 HydrophobicContact CG-CD1 4.2Å
150	E	96.7	Very high	96.4	Very high	160 Å²	160	38 Å²	38	75%	0.748	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-27.7	-178.1	-66.9	-177.9	-138.3	0	0	112.7	S148 V213	S148-E150 VanDerWaalsContact C-N 3.27Å; S148-E150 PolarHBondContact O-N 3.05Å; S148-E150 PolarHBondContact OG-N 3.02Å; E150-V213 HydrophobicContact CB-CG1 3.77Å
151	K	96.4	Very high	96.3	Very high	50 Å²	50	42.6 Å²	42.6	22%	0.217	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	30.6	179.7	-62.9	-69.1	178.9	172	0	112.4	S148 R149 G153 H211 V213 A236 M237	S148-K151 CarbonylContact O-C 3.59Å; S148-K151 PolarHBondContact O-N 3.34Å; R149-K151 VanDerWaalsContact C-N 3.29Å; R149-K151 PolarHBondContact O-N 2.82Å; K151-G153 PolarHBondContact O-N 2.95Å; K151-H211 WeakPolarHBondContact O-CB 3.48Å; K151-H211 PolarHBondContact O-ND1 2.96Å; K151-V213 HydrophobicContact CD-CG1 4.48Å; K151-V213 HydrophobicContact CG-CG1 3.52Å; K151-A236 HydrophobicContact CB-CB 4.5Å; K151-A236 WeakPolarHBondContact CB-O 3.47Å; K151-A236 WeakPolarHBondContact O-CB 3.37Å; K151-M237 VanDerWaalsContact CE-O 3.22Å; K151-M237 WeakPolarHBondContact CE-O 3.45Å; K151-M237 PolarHBondContact NZ-O 2.77Å
152	R	93.9	Very high	96.2	Very high	79 Å²	79	45.6 Å²	45.6	30%	0.298	23%	0.232	S	C	.	.			trans	-64.4	-24.8	-179.7	70.4	-175.7	177.6	99.9	-13.8	114.4	S148 R149 A154 H155 E157 L160 H211	S148-R152 PolarHBondContact O-N 3.28Å; R149-R152 WeakPolarHBondContact O-CG 3.39Å; R152-A154 PolarHBondContact O-N 3.46Å; R152-H155 HydrophobicContact CB-CB 4.32Å; R152-H155 PolarHBondContact NH1-O 2.86Å; R152-H155 VanDerWaalsContact NH1-O 3.11Å; R152-H155 WeakPolarHBondContact O-CB 3.5Å; R152-H155 PolarHBondContact O-CD2 2.75Å; R152-H155 PolarHBondContact O-N 2.81Å; R152-E157 IonicContact CZ-OE2 3.72Å; R152-E157 VanDerWaalsContact CZ-OE2 3.31Å; R152-E157 IonicContact NE-OE2 3.39Å; R152-E157 PolarHBondContact NE-OE2 2.97Å; R152-E157 IonicContact NH2-OE2 3.79Å; R152-E157 PolarHBondContact NH2-OE2 3.07Å; R152-L160 HydrophobicContact CB-CD1 4.03Å; R152-H211 PolarHBondContact O-ND1 2.63Å
153	G	91.7	Very high	96	Very high	35 Å²	35	46 Å²	46	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-123.4	-176.2	0	0	0	0	0	111.5	K151 H155	K151-G153 PolarHBondContact O-N 2.95Å; G153-H155 PolarHBondContact O-N 2.84Å
154	A	90.4	Very high	95.7	Very high	15 Å²	15	52.8 Å²	52.8	12%	0.124	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-2.5	176.7	0	0	0	0	0	114.3	R152 L308 Q311 V322 C329	R152-A154 PolarHBondContact O-N 3.46Å; A154-L308 HydrophobicContact CB-CD2 4.32Å; A154-Q311 WeakPolarHBondContact O-CG 3.23Å; A154-V322 HydrophobicContact CB-CG2 3.78Å; A154-C329 HydrophobicContact CB-CB 3.56Å
155	H	95.1	Very high	95.3	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.042	30%	0.302	C	S	.	.	S	Bend	trans	-75.5	134	-176.3	-65.7	-114.1	0	0	0	111.1	T112 E143 I147 R152 G153 E157 L160 H211	T112-H155 VanDerWaalsContact CB-ND1 3.3Å; T112-H155 WeakPolarHBondContact CB-ND1 3.32Å; T112-H155 HydrophobicContact CG2-CB 4.45Å; T112-H155 PolarHBondContact N-ND1 3.33Å; T112-H155 PolarHBondContact OG1-ND1 3.08Å; E143-H155 PolarHBondContact O-CE1 3.42Å; E143-H155 PolarHBondContact O-ND1 2.95Å; I147-H155 HydrophobicContact CD1-CB 3.75Å; I147-H155 VanDerWaalsContact CD1-CG 3.49Å; R152-H155 HydrophobicContact CB-CB 4.32Å; R152-H155 PolarHBondContact NH1-O 2.86Å; R152-H155 VanDerWaalsContact NH1-O 3.11Å; R152-H155 WeakPolarHBondContact O-CB 3.5Å; R152-H155 PolarHBondContact O-CD2 2.75Å; R152-H155 PolarHBondContact O-N 2.81Å; G153-H155 PolarHBondContact O-N 2.84Å; H155-E157 PolarHBondContact O-N 2.82Å; H155-L160 HydrophobicContact CB-CD2 4.43Å; H155-H211 AromaticContact CD2-CE1 3.41Å; H155-H211 PolarHBondContact CD2-CE1 3.07Å; H155-H211 VanDerWaalsContact CD2-CE1 3.41Å; H155-H211 AromaticContact CD2-ND1 3.86Å; H155-H211 AromaticContact CD2-NE2 3.91Å; H155-H211 AromaticContact NE2-CE1 3.46Å; H155-H211 PolarHBondContact NE2-CE1 3.22Å; H155-H211 AromaticContact NE2-NE2 3.47Å; H155-H211 PolarHBondContact NE2-NE2 3.46Å
156	P	92.8	Very high	94.9	Very high	8 Å²	8	64.3 Å²	64.3	5%	0.052	33%	0.327	C	S	.	.			trans	-65.4	117.9	179.5	23.8	-33.5	0	0	0	111.6	T112 A158 Y159	T112-P156 HydrophobicContact CG2-CG 4.1Å; T112-P156 WeakPolarHBondContact O-CD 3.4Å; T112-P156 WeakPolarHBondContact O-CG 3.19Å; P156-A158 PolarHBondContact O-N 3.23Å; P156-Y159 HydrophobicContact CB-CD2 3.7Å; P156-Y159 HydrophobicContact CB-CE2 4.15Å; P156-Y159 HydrophobicContact CG-CD2 3.47Å; P156-Y159 VanDerWaalsContact CG-CD2 3.47Å; P156-Y159 HydrophobicContact CG-CE2 4.19Å; P156-Y159 HydrophobicContact CG-CG 4.36Å; P156-Y159 PolarHBondContact O-N 3.15Å; P156-Y159 VanDerWaalsContact O-N 3.09Å
157	E	94.1	Very high	94.8	Very high	69 Å²	69	64.2 Å²	64.2	32%	0.322	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-57.2	-35.4	-177.2	-169.4	167.6	167.2	0	0	113.5	R149 R152 H155 Y159 L160	R149-E157 VanDerWaalsContact CD-OE1 3.32Å; R149-E157 WeakPolarHBondContact CD-OE1 3.45Å; R149-E157 HydrophobicContact CG-CG 4.21Å; R149-E157 IonicContact CZ-OE1 2.72Å; R149-E157 IonicContact NE-OE1 3.37Å; R149-E157 IonicContact NH1-OE1 3.24Å; R149-E157 PolarHBondContact NH1-OE1 3.07Å; R152-E157 IonicContact CZ-OE2 3.72Å; R152-E157 VanDerWaalsContact CZ-OE2 3.31Å; R152-E157 IonicContact NE-OE2 3.39Å; R152-E157 PolarHBondContact NE-OE2 2.97Å; R152-E157 IonicContact NH2-OE2 3.79Å; R152-E157 PolarHBondContact NH2-OE2 3.07Å; H155-E157 PolarHBondContact O-N 2.82Å; E157-Y159 PolarHBondContact O-N 2.82Å; E157-L160 HydrophobicContact CG-CD1 4.39Å; E157-L160 PolarHBondContact O-N 3.4Å
158	A	95.8	Very high	94.7	Very high	89 Å²	89	66 Å²	66	74%	0.736	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.1	-19	-178.6	0	0	0	0	0	113.8	P156	P156-A158 PolarHBondContact O-N 3.23Å
159	Y	96.9	Very high	94.6	Very high	80 Å²	80	70.7 Å²	70.7	31%	0.314	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-110.3	1.1	-177.6	-53.4	-42.5	0	0	0	113.3	P114 P145 P156 E157 Q310	P114-Y159 HydrophobicContact CB-CD1 4.47Å; P114-Y159 HydrophobicContact CB-CE1 4.44Å; P114-Y159 HydrophobicContact CG-CD1 3.93Å; P114-Y159 HydrophobicContact CG-CD2 3.93Å; P114-Y159 HydrophobicContact CG-CE1 3.67Å; P114-Y159 HydrophobicContact CG-CE2 3.71Å; P114-Y159 HydrophobicContact CG-CG 4.07Å; P145-Y159 WeakPolarHBondContact CB-O 3.42Å; P156-Y159 HydrophobicContact CB-CD2 3.7Å; P156-Y159 HydrophobicContact CB-CE2 4.15Å; P156-Y159 HydrophobicContact CG-CD2 3.47Å; P156-Y159 VanDerWaalsContact CG-CD2 3.47Å; P156-Y159 HydrophobicContact CG-CE2 4.19Å; P156-Y159 HydrophobicContact CG-CG 4.36Å; P156-Y159 PolarHBondContact O-N 3.15Å; P156-Y159 VanDerWaalsContact O-N 3.09Å; E157-Y159 PolarHBondContact O-N 2.82Å; Y159-Q310 HydrophobicContact CE2-CB 3.94Å; Y159-Q310 HydrophobicContact CE2-CG 3.82Å
160	L	97.5	Very high	94.6	Very high	30 Å²	30	64.5 Å²	64.5	16%	0.157	33%	0.334	C	S	.	.			trans	-62.2	140.2	172.6	-63.6	-179	0	0	0	110.6	T112 I147 R149 R152 H155 E157	T112-L160 HydrophobicContact CG2-CD2 3.91Å; I147-L160 HydrophobicContact CD1-CD2 3.85Å; I147-L160 HydrophobicContact CG1-CD2 3.47Å; I147-L160 VanDerWaalsContact CG1-CD2 3.47Å; R149-L160 HydrophobicContact CB-CD1 4.01Å; R149-L160 HydrophobicContact CG-CD1 4.2Å; R152-L160 HydrophobicContact CB-CD1 4.03Å; H155-L160 HydrophobicContact CB-CD2 4.43Å; E157-L160 HydrophobicContact CG-CD1 4.39Å; E157-L160 PolarHBondContact O-N 3.4Å
161	R	96.8	Very high	94.6	Very high	97 Å²	97	57 Å²	57	37%	0.366	30%	0.298	S	S	.	.			trans	-126.7	158	-179.1	-63.6	-176.4	-178.5	-84.9	-13.5	110.4	P115 P145 F146 T174	P115-R161 VanDerWaalsContact CG-CZ 3.48Å; P145-R161 HydrophobicContact CB-CB 4.44Å; P145-R161 HydrophobicContact CB-CG 4.31Å; P145-R161 HydrophobicContact CG-CB 4.17Å; P145-R161 HydrophobicContact CG-CG 4Å; P145-R161 PolarHBondContact O-N 2.8Å; F146-R161 HydrophobicContact CD1-CB 3.86Å; F146-R161 HydrophobicContact CE1-CB 3.65Å; F146-R161 HydrophobicContact CZ-CB 4.35Å; R161-T174 WeakPolarHBondContact CD-OG1 3.38Å
162	S	96.1	Very high	94.7	Very high	63 Å²	63	57.8 Å²	57.8	44%	0.441	31%	0.305	S	S	.	.			trans	-122.7	172.6	170.2	-173.3	0	0	0	0	108.4
163	F	95.4	Very high	94.9	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.039	31%	0.31	C	S	.	.			trans	-89.9	138.4	172.1	-52.4	-59.2	0	0	0	110.7	F146 A167 V171 L186 L190 N191 R192 V196	F146-F163 HydrophobicContact CB-CE1 3.91Å; F146-F163 HydrophobicContact CB-CE2 4.26Å; F146-F163 HydrophobicContact CB-CZ 3.52Å; F146-F163 AromaticContact CD1-CD1 3.67Å; F146-F163 HydrophobicContact CD1-CD1 3.67Å; F146-F163 AromaticContact CD1-CE1 3.21Å; F146-F163 HydrophobicContact CD1-CE1 3.21Å; F146-F163 HydrophobicContact CD1-CG 4.49Å; F146-F163 AromaticContact CD1-CZ 3.74Å; F146-F163 HydrophobicContact CD1-CZ 3.74Å; F146-F163 AromaticContact CD2-CE1 3.96Å; F146-F163 HydrophobicContact CD2-CE1 3.96Å; F146-F163 HydrophobicContact CD2-CZ 4.3Å; F146-F163 AromaticContact CE1-CD1 3.79Å; F146-F163 HydrophobicContact CE1-CD1 3.79Å; F146-F163 AromaticContact CE1-CE1 3.6Å; F146-F163 HydrophobicContact CE1-CE1 3.6Å; F146-F163 HydrophobicContact CE2-CE1 4.29Å; F146-F163 HydrophobicContact CG-CD1 4.31Å; F146-F163 AromaticContact CG-CE1 3.41Å; F146-F163 HydrophobicContact CG-CE1 3.41Å; F146-F163 VanDerWaalsContact CG-CE1 3.41Å; F146-F163 AromaticContact CG-CZ 3.59Å; F146-F163 HydrophobicContact CG-CZ 3.59Å; F146-F163 HydrophobicContact CZ-CE1 4.12Å; F163-A167 HydrophobicContact CB-CB 3.65Å; F163-A167 HydrophobicContact CD1-CB 4.17Å; F163-A167 HydrophobicContact CG-CB 3.99Å; F163-V171 HydrophobicContact CD1-CG2 4.48Å; F163-V171 HydrophobicContact CE1-CG2 3.8Å; F163-L186 HydrophobicContact CZ-CD2 4.45Å; F163-L190 HydrophobicContact CD2-CB 4.06Å; F163-L190 HydrophobicContact CE2-CB 4.09Å; F163-L190 HydrophobicContact CE2-CD1 4.29Å; F163-N191 WeakPolarHBondContact CB-O 3.29Å; F163-N191 WeakPolarHBondContact CD2-O 3.3Å; F163-R192 HydrophobicContact CB-CB 4.5Å; F163-V196 HydrophobicContact CD1-CG2 3.84Å; F163-V196 HydrophobicContact CE1-CB 4.3Å; F163-V196 HydrophobicContact CE1-CG1 4.19Å; F163-V196 HydrophobicContact CE1-CG2 3.67Å; F163-V196 HydrophobicContact CE2-CG2 4.41Å; F163-V196 HydrophobicContact CG-CG2 4.3Å; F163-V196 HydrophobicContact CZ-CB 4.17Å; F163-V196 HydrophobicContact CZ-CG1 4.07Å; F163-V196 HydrophobicContact CZ-CG2 3.97Å
164	E	92.2	Very high	95.2	Very high	145 Å²	145	54.9 Å²	54.9	68%	0.678	29%	0.294	S	S	*	.			trans	-104.9	-152.1	173.3	-60.2	-166.8	173.5	0	0	110.6	N166 D170 R192	E164-N166 PolarHBondContact O-N 3.36Å; E164-N166 VanDerWaalsContact O-N 3.17Å; E164-D170 PolarHBondContact N-OD2 3.11Å; E164-R192 WeakPolarHBondContact O-CD 3.21Å
165	D	88.3	Confident	95.5	Very high	145 Å²	145	54.3 Å²	54.3	78%	0.775	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15	-172.1	-81.5	-18.4	0	0	0	114.6	R192	D165-R192 PolarHBondContact O-NH1 2.99Å; D165-R192 PolarHBondContact O-NH2 3.42Å; D165-R192 IonicContact OD1-NH1 2.98Å
166	N	91.4	Very high	95.6	Very high	97 Å²	97	54.9 Å²	54.9	52%	0.519	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	72.8	174.1	-169.8	-8.1	0	0	0	108.9	E164 F168 H169 D170	E164-N166 PolarHBondContact O-N 3.36Å; E164-N166 VanDerWaalsContact O-N 3.17Å; N166-F168 PolarHBondContact O-N 2.84Å; N166-F168 VanDerWaalsContact O-N 3.11Å; N166-H169 HydrophobicContact CB-CB 3.88Å; N166-H169 WeakPolarHBondContact ND2-CB 3.12Å; N166-H169 WeakPolarHBondContact O-CA 3.29Å; N166-H169 VanDerWaalsContact O-CB 3.29Å; N166-H169 WeakPolarHBondContact O-CB 3.37Å; N166-H169 PolarHBondContact O-N 3.49Å; N166-H169 PolarHBondContact OD1-N 3.29Å; N166-D170 PolarHBondContact O-N 2.81Å; N166-D170 VanDerWaalsContact O-N 3.12Å
167	A	94.7	Very high	95.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-51.2	-40.4	-169.8	0	0	0	0	0	113.9	F163 D170 V171 R192 V196	F163-A167 HydrophobicContact CB-CB 3.65Å; F163-A167 HydrophobicContact CD1-CB 4.17Å; F163-A167 HydrophobicContact CG-CB 3.99Å; A167-D170 WeakPolarHBondContact O-CB 3.47Å; A167-D170 PolarHBondContact O-N 3.16Å; A167-V171 PolarHBondContact O-N 2.98Å; A167-R192 HydrophobicContact CB-CB 3.97Å; A167-V196 HydrophobicContact CB-CG2 3.6Å
168	F	96.3	Very high	95.9	Very high	42 Å²	42	54.7 Å²	54.7	18%	0.184	31%	0.306	C	S	.	.	H	α-helix	trans	-74.4	-30.7	178.1	-166.8	-112	0	0	0	113.1	N166 D170 V171 L172 L178 A199 L200	N166-F168 PolarHBondContact O-N 2.84Å; N166-F168 VanDerWaalsContact O-N 3.11Å; F168-D170 VanDerWaalsContact C-N 3.28Å; F168-D170 PolarHBondContact O-N 2.75Å; F168-V171 HydrophobicContact CD2-CB 4.34Å; F168-V171 HydrophobicContact CE2-CG1 4.31Å; F168-V171 WeakPolarHBondContact O-CB 3.26Å; F168-V171 PolarHBondContact O-N 2.84Å; F168-L172 HydrophobicContact CD1-CD1 4.11Å; F168-L172 HydrophobicContact CD1-CG 4.36Å; F168-L172 HydrophobicContact CE1-CD1 3.82Å; F168-L172 HydrophobicContact CE1-CD2 4.2Å; F168-L172 HydrophobicContact CE1-CG 4Å; F168-L172 HydrophobicContact CZ-CD2 4.18Å; F168-L172 HydrophobicContact CZ-CG 4.34Å; F168-L172 PolarHBondContact O-N 3.43Å; F168-L172 VanDerWaalsContact O-N 3.14Å; F168-L178 HydrophobicContact CE2-CD1 4.46Å; F168-L178 HydrophobicContact CZ-CD1 4.23Å; F168-A199 HydrophobicContact CB-CB 4.4Å; F168-A199 HydrophobicContact CD1-CB 4.34Å; F168-A199 HydrophobicContact CD2-CB 3.44Å; F168-A199 VanDerWaalsContact CD2-CB 3.44Å; F168-A199 HydrophobicContact CE2-CB 3.73Å; F168-A199 HydrophobicContact CG-CB 3.8Å; F168-A199 HydrophobicContact CZ-CB 4.3Å; F168-L200 HydrophobicContact CE2-CD2 4.01Å; F168-L200 HydrophobicContact CE2-CG 4.24Å
169	H	96.5	Very high	95.9	Very high	106 Å²	106	58 Å²	58	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-35.9	170.1	172	-91.2	0	0	0	111.4	N166 V171 L172 A173	N166-H169 HydrophobicContact CB-CB 3.88Å; N166-H169 WeakPolarHBondContact ND2-CB 3.12Å; N166-H169 WeakPolarHBondContact O-CA 3.29Å; N166-H169 VanDerWaalsContact O-CB 3.29Å; N166-H169 WeakPolarHBondContact O-CB 3.37Å; N166-H169 PolarHBondContact O-N 3.49Å; N166-H169 PolarHBondContact OD1-N 3.29Å; H169-V171 VanDerWaalsContact C-N 3.29Å; H169-V171 PolarHBondContact O-N 3.22Å; H169-L172 PolarHBondContact O-N 3.16Å; H169-A173 VanDerWaalsContact O-CB 3.3Å; H169-A173 WeakPolarHBondContact O-CB 3.29Å; H169-A173 PolarHBondContact O-N 3.45Å
170	D	96.9	Very high	95.9	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-37.1	176.7	-57.5	-39.5	0	0	0	112.1	F146 E164 N166 A167 F168 A173 T174	F146-D170 HydrophobicContact CE1-CB 4.3Å; F146-D170 HydrophobicContact CZ-CB 4.39Å; E164-D170 PolarHBondContact N-OD2 3.11Å; N166-D170 PolarHBondContact O-N 2.81Å; N166-D170 VanDerWaalsContact O-N 3.12Å; A167-D170 WeakPolarHBondContact O-CB 3.47Å; A167-D170 PolarHBondContact O-N 3.16Å; F168-D170 VanDerWaalsContact C-N 3.28Å; F168-D170 PolarHBondContact O-N 2.75Å; D170-A173 PolarHBondContact O-N 2.82Å; D170-T174 VanDerWaalsContact O-CB 3.25Å; D170-T174 WeakPolarHBondContact O-CB 3.43Å; D170-T174 PolarHBondContact O-N 3.14Å; D170-T174 PolarHBondContact O-OG1 2.85Å
171	V	97.9	Very high	95.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-51.5	172.3	173.9	0	0	0	0	110.4	F146 F163 A167 F168 H169 A173 T174 Y175 L178 V196 L200	F146-V171 HydrophobicContact CD2-CG2 4.46Å; F146-V171 HydrophobicContact CE2-CB 4.44Å; F146-V171 HydrophobicContact CE2-CG2 3.98Å; F146-V171 HydrophobicContact CZ-CG2 4.22Å; F163-V171 HydrophobicContact CD1-CG2 4.48Å; F163-V171 HydrophobicContact CE1-CG2 3.8Å; A167-V171 PolarHBondContact O-N 2.98Å; F168-V171 HydrophobicContact CD2-CB 4.34Å; F168-V171 HydrophobicContact CE2-CG1 4.31Å; F168-V171 WeakPolarHBondContact O-CB 3.26Å; F168-V171 PolarHBondContact O-N 2.84Å; H169-V171 VanDerWaalsContact C-N 3.29Å; H169-V171 PolarHBondContact O-N 3.22Å; V171-A173 PolarHBondContact O-N 3Å; V171-T174 PolarHBondContact O-N 3.14Å; V171-Y175 HydrophobicContact CG1-CD2 3.63Å; V171-Y175 HydrophobicContact CG1-CE2 3.9Å; V171-Y175 WeakPolarHBondContact O-CD2 3.4Å; V171-Y175 PolarHBondContact O-N 3.12Å; V171-L178 HydrophobicContact CG1-CD1 4.15Å; V171-V196 HydrophobicContact CG2-CB 4.49Å; V171-V196 HydrophobicContact CG2-CG1 3.64Å; V171-V196 HydrophobicContact CG2-CG2 4.01Å; V171-L200 HydrophobicContact CG1-CD2 4.44Å
172	L	97.8	Very high	96	Very high	68 Å²	68	52.2 Å²	52.2	36%	0.356	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-36.9	179.7	-64	179	0	0	0	112.6	F168 H169 T174 G176 L178	F168-L172 HydrophobicContact CD1-CD1 4.11Å; F168-L172 HydrophobicContact CD1-CG 4.36Å; F168-L172 HydrophobicContact CE1-CD1 3.82Å; F168-L172 HydrophobicContact CE1-CD2 4.2Å; F168-L172 HydrophobicContact CE1-CG 4Å; F168-L172 HydrophobicContact CZ-CD2 4.18Å; F168-L172 HydrophobicContact CZ-CG 4.34Å; F168-L172 PolarHBondContact O-N 3.43Å; F168-L172 VanDerWaalsContact O-N 3.14Å; H169-L172 PolarHBondContact O-N 3.16Å; L172-T174 VanDerWaalsContact C-N 3.28Å; L172-T174 PolarHBondContact O-N 2.63Å; L172-G176 WeakPolarHBondContact O-CA 3.18Å; L172-G176 PolarHBondContact O-N 3.15Å; L172-L178 HydrophobicContact CD2-CD1 3.95Å; L172-L178 HydrophobicContact CD2-CG 4.03Å
173	A	97.4	Very high	96.1	Very high	49 Å²	49	49.2 Å²	49.2	41%	0.405	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-35.2	175.4	0	0	0	0	0	111.4	H119 H169 D170 V171	H119-A173 PolarHBondContact CE1-O 3.19Å; H119-A173 PolarHBondContact NE2-O 3.01Å; H169-A173 VanDerWaalsContact O-CB 3.3Å; H169-A173 WeakPolarHBondContact O-CB 3.29Å; H169-A173 PolarHBondContact O-N 3.45Å; D170-A173 PolarHBondContact O-N 2.82Å; V171-A173 PolarHBondContact O-N 3Å
174	T	97.9	Very high	96.3	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-76.6	-52	180	-61.1	0	0	0	0	112.2	P115 Y118 H119 P145 F146 R161 D170 V171 L172	P115-T174 WeakPolarHBondContact CA-O 3.24Å; Y118-T174 HydrophobicContact CD2-CG2 4.21Å; Y118-T174 HydrophobicContact CE2-CG2 4.2Å; H119-T174 PolarHBondContact CD2-O 3.08Å; H119-T174 PolarHBondContact NE2-O 2.89Å; P145-T174 HydrophobicContact CG-CG2 3.58Å; F146-T174 HydrophobicContact CE2-CG2 4.2Å; F146-T174 HydrophobicContact CZ-CG2 4.28Å; F146-T174 WeakPolarHBondContact CZ-OG1 3.18Å; R161-T174 WeakPolarHBondContact CD-OG1 3.38Å; D170-T174 VanDerWaalsContact O-CB 3.25Å; D170-T174 WeakPolarHBondContact O-CB 3.43Å; D170-T174 PolarHBondContact O-N 3.14Å; D170-T174 PolarHBondContact O-OG1 2.85Å; V171-T174 PolarHBondContact O-N 3.14Å; L172-T174 VanDerWaalsContact C-N 3.28Å; L172-T174 PolarHBondContact O-N 2.63Å
175	Y	98.1	Very high	96.6	Very high	2 Å²	2	42 Å²	42	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-94.2	-25.9	-172.7	-57.3	-55.2	0	0	0	113.6	Y118 H119 L122 L142 G144 P145 F146 V171 L178	Y118-Y175 AromaticContact CD1-CD1 3.92Å; Y118-Y175 HydrophobicContact CD1-CD1 3.92Å; Y118-Y175 HydrophobicContact CD1-CE1 4.36Å; Y118-Y175 AromaticContact CD2-CD1 3.83Å; Y118-Y175 HydrophobicContact CD2-CD1 3.83Å; Y118-Y175 HydrophobicContact CD2-CE1 4.26Å; Y118-Y175 HydrophobicContact CE1-CD1 4.08Å; Y118-Y175 HydrophobicContact CE1-CE1 4.03Å; Y118-Y175 AromaticContact CE2-CD1 3.97Å; Y118-Y175 HydrophobicContact CE2-CD1 3.97Å; Y118-Y175 AromaticContact CE2-CE1 3.91Å; Y118-Y175 HydrophobicContact CE2-CE1 3.91Å; Y118-Y175 AromaticContact CG-CD1 3.81Å; Y118-Y175 HydrophobicContact CG-CD1 3.81Å; Y118-Y175 HydrophobicContact CG-CE1 4.48Å; Y118-Y175 AromaticContact CZ-CE1 3.8Å; H119-Y175 PolarHBondContact CD2-O 3.37Å; L122-Y175 WeakPolarHBondContact CD1-O 3.18Å; L142-Y175 HydrophobicContact CB-CE1 4.16Å; L142-Y175 HydrophobicContact CD1-CD1 3.63Å; L142-Y175 HydrophobicContact CD1-CD2 3.76Å; L142-Y175 HydrophobicContact CD1-CE1 3.8Å; L142-Y175 HydrophobicContact CD1-CE2 3.93Å; L142-Y175 HydrophobicContact CD1-CG 3.6Å; L142-Y175 HydrophobicContact CD2-CD1 4.12Å; L142-Y175 HydrophobicContact CD2-CE1 4.16Å; L142-Y175 HydrophobicContact CG-CD1 4.39Å; L142-Y175 HydrophobicContact CG-CE1 4.28Å; G144-Y175 WeakPolarHBondContact O-CE1 3.39Å; G144-Y175 PolarHBondContact O-OH 3.04Å; P145-Y175 VanDerWaalsContact CD-CE1 3.43Å; P145-Y175 VanDerWaalsContact CD-OH 3.23Å; P145-Y175 WeakPolarHBondContact CD-OH 3.48Å; F146-Y175 AromaticContact CD2-CE2 4Å; F146-Y175 HydrophobicContact CD2-CE2 4Å; F146-Y175 AromaticContact CD2-CZ 3.98Å; F146-Y175 HydrophobicContact CE2-CD2 4.42Å; F146-Y175 AromaticContact CE2-CE2 3.65Å; F146-Y175 HydrophobicContact CE2-CE2 3.65Å; F146-Y175 AromaticContact CE2-CZ 3.87Å; V171-Y175 HydrophobicContact CG1-CD2 3.63Å; V171-Y175 HydrophobicContact CG1-CE2 3.9Å; V171-Y175 WeakPolarHBondContact O-CD2 3.4Å; V171-Y175 PolarHBondContact O-N 3.12Å; Y175-L178 HydrophobicContact CD2-CD2 4.13Å; Y175-L178 HydrophobicContact CG-CD2 4.34Å
176	G	97.3	Very high	97.1	Very high	21 Å²	21	35.1 Å²	35.1	22%	0.216	20%	0.199	C	C	.	.			trans	83.4	-143.6	-168.1	0	0	0	0	0	111.5	H119 L172	H119-G176 PolarHBondContact NE2-N 3.24Å; L172-G176 WeakPolarHBondContact O-CA 3.18Å; L172-G176 PolarHBondContact O-N 3.15Å
177	A	95.5	Very high	97.5	Very high	61 Å²	61	30.5 Å²	30.5	50%	0.504	17%	0.174	S	C	.	.			trans	-68.9	139.9	177.7	0	0	0	0	0	111.2
178	L	97.5	Very high	97.6	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.063	18%	0.177	C	C	.	.			trans	-104.1	11.7	-175.2	-55.6	179.5	0	0	0	113.1	L142 F168 V171 L172 Y175 N180 V181 L200 I205	L142-L178 HydrophobicContact CD1-CD2 4.41Å; F168-L178 HydrophobicContact CE2-CD1 4.46Å; F168-L178 HydrophobicContact CZ-CD1 4.23Å; V171-L178 HydrophobicContact CG1-CD1 4.15Å; L172-L178 HydrophobicContact CD2-CD1 3.95Å; L172-L178 HydrophobicContact CD2-CG 4.03Å; Y175-L178 HydrophobicContact CD2-CD2 4.13Å; Y175-L178 HydrophobicContact CG-CD2 4.34Å; L178-N180 PolarHBondContact O-N 3.06Å; L178-V181 HydrophobicContact CB-CB 4.27Å; L178-V181 HydrophobicContact CB-CG2 4.22Å; L178-V181 HydrophobicContact CD2-CG2 3.96Å; L178-V181 WeakPolarHBondContact O-CB 3.44Å; L178-V181 PolarHBondContact O-N 3.17Å; L178-L200 HydrophobicContact CD1-CD2 3.83Å; L178-I205 HydrophobicContact CB-CD1 3.97Å; L178-I205 HydrophobicContact CD1-CD1 4.05Å
179	D	95.5	Very high	97.7	Very high	159 Å²	159	31.6 Å²	31.6	85%	0.85	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.8	-171.1	-61.7	-67.9	0	0	0	114
180	N	95.8	Very high	97.8	Very high	21 Å²	21	28 Å²	28	11%	0.112	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	8.7	179.1	67	-17.7	0	0	0	114	L122 I125 V127 G139 V140 L178	L122-N180 PolarHBondContact O-ND2 2.95Å; I125-N180 PolarHBondContact O-ND2 2.96Å; I125-N180 VanDerWaalsContact O-ND2 3.08Å; V127-N180 HydrophobicContact CG2-CB 3.52Å; G139-N180 CarbonylContact C-O 3.56Å; G139-N180 WeakPolarHBondContact CA-O 3.39Å; V140-N180 PolarHBondContact N-O 3.34Å; L178-N180 PolarHBondContact O-N 3.06Å
181	V	98.6	Very high	97.8	Very high	12 Å²	12	32.2 Å²	32.2	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.3	179	177.3	0	0	0	0	109.3	L142 L178 V184 I205	L142-V181 HydrophobicContact CD1-CB 4.42Å; L142-V181 HydrophobicContact CD1-CG1 3.8Å; L142-V181 HydrophobicContact CD1-CG2 3.67Å; L142-V181 HydrophobicContact CG-CG1 4.13Å; L142-V181 HydrophobicContact CG-CG2 4.24Å; L178-V181 HydrophobicContact CB-CB 4.27Å; L178-V181 HydrophobicContact CB-CG2 4.22Å; L178-V181 HydrophobicContact CD2-CG2 3.96Å; L178-V181 WeakPolarHBondContact O-CB 3.44Å; L178-V181 PolarHBondContact O-N 3.17Å; V181-V184 HydrophobicContact CG1-CG2 3.75Å; V181-I205 HydrophobicContact CB-CD1 4.35Å; V181-I205 HydrophobicContact CG1-CD1 4.33Å; V181-I205 HydrophobicContact CG1-CG2 4.12Å
182	R	98.6	Very high	97.7	Very high	53 Å²	53	34.8 Å²	34.8	20%	0.2	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-37.9	179	-169.5	73.6	-164.5	96.2	-14.4	112.4	V140 G204 C206 L365	V140-R182 PolarHBondContact O-N 3.2Å; R182-G204 PolarHBondContact NH1-O 3.24Å; R182-C206 WeakPolarHBondContact O-CB 3.45Å; R182-C206 PolarHBondContact O-N 3.15Å; R182-L365 HydrophobicContact CG-CD1 4.28Å; R182-L365 HydrophobicContact CG-CD2 3.67Å; R182-L365 VanDerWaalsContact NH2-C 3.3Å; R182-L365 PolarHBondContact NH2-O 3.29Å
183	I	98.9	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.9	-175.5	-53.3	168.3	0	0	0	109.3	V70 V140 H141 L142 C206 L365	V70-I183 HydrophobicContact CB-CD1 3.84Å; V140-I183 PolarHBondContact O-N 3.11Å; H141-I183 CarbonylContact C-O 3.46Å; H141-I183 WeakPolarHBondContact CA-O 3.49Å; H141-I183 HydrophobicContact CB-CB 4.05Å; H141-I183 HydrophobicContact CB-CD1 4.42Å; L142-I183 PolarHBondContact N-O 2.64Å; I183-C206 CarbonylContact C-O 2.94Å; I183-C206 VanDerWaalsContact CA-O 3.24Å; I183-C206 WeakPolarHBondContact CA-O 3.43Å; I183-C206 HydrophobicContact CG1-CB 4.06Å; I183-L365 HydrophobicContact CD1-CD2 4.02Å; I183-L365 HydrophobicContact CG1-CD2 3.99Å
184	V	98.9	Very high	97.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.8	168.3	176.1	0	0	0	0	108.9	L142 V181 L200 I205 C206 S208	L142-V184 HydrophobicContact CB-CG2 4.25Å; L142-V184 HydrophobicContact CD1-CG2 4.24Å; L142-V184 CarbonylContact O-C 3.51Å; L142-V184 WeakPolarHBondContact O-CA 3.43Å; V181-V184 HydrophobicContact CG1-CG2 3.75Å; V184-L200 HydrophobicContact CB-CD1 3.92Å; V184-L200 HydrophobicContact CG1-CD1 3.94Å; V184-L200 HydrophobicContact CG2-CD1 4.1Å; V184-L200 HydrophobicContact CG2-CD2 4.23Å; V184-I205 HydrophobicContact CB-CG2 4.45Å; V184-I205 HydrophobicContact CG2-CG2 3.84Å; V184-C206 PolarHBondContact N-O 2.97Å; V184-S208 PolarHBondContact O-N 2.95Å
185	T	98.9	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.8	169.2	-63.8	0	0	0	0	110.1	H141 L142 E143 G144 S208 T231	H141-T185 PolarHBondContact NE2-OG1 2.98Å; L142-T185 PolarHBondContact O-N 3.13Å; E143-T185 HydrophobicContact CG-CG2 4.22Å; G144-T185 PolarHBondContact N-O 3.13Å; T185-S208 VanDerWaalsContact CA-O 3.32Å; T185-S208 WeakPolarHBondContact CA-O 3.42Å; T185-T231 HydrophobicContact CG2-CG2 4.22Å; T185-T231 VanDerWaalsContact CG2-OG1 3.23Å; T185-T231 WeakPolarHBondContact CG2-OG1 3.38Å; T185-T231 PolarHBondContact OG1-OG1 3.31Å
186	L	98.8	Very high	97.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.6	175.3	63.4	79.4	0	0	0	112	F146 F163 V196 I197 L200 V207 S208 G210	F146-L186 HydrophobicContact CB-CB 4.31Å; F146-L186 CarbonylContact O-C 3.52Å; F146-L186 VanDerWaalsContact O-CA 3.24Å; F146-L186 WeakPolarHBondContact O-CA 3.24Å; F146-L186 WeakPolarHBondContact O-CB 3.39Å; F163-L186 HydrophobicContact CZ-CD2 4.45Å; L186-V196 HydrophobicContact CD2-CG1 3.92Å; L186-I197 HydrophobicContact CD1-CD1 4.28Å; L186-I197 HydrophobicContact CD1-CG1 4.15Å; L186-I197 HydrophobicContact CD2-CG1 4.24Å; L186-L200 HydrophobicContact CD2-CD1 4.4Å; L186-V207 HydrophobicContact CD2-CG1 3.97Å; L186-V207 HydrophobicContact CG-CG1 4.05Å; L186-S208 PolarHBondContact N-O 3.4Å; L186-G210 PolarHBondContact O-N 2.99Å
187	A	98.7	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.			trans	-90	115.2	173.7	0	0	0	0	0	110.2	F146 E189 L190	F146-A187 PolarHBondContact O-N 3.33Å; A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE2 3.08Å; A187-E189 PolarHBondContact O-N 3.47Å; A187-L190 HydrophobicContact CB-CD1 4.23Å; A187-L190 HydrophobicContact CB-CG 4.05Å; A187-L190 WeakPolarHBondContact O-CB 3.39Å; A187-L190 WeakPolarHBondContact O-CG 3.39Å; A187-L190 PolarHBondContact O-N 3.43Å
188	P	98.4	Very high	97.9	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.9	-173.1	26.4	-35.1	0	0	0	114.2	L190 S193 L209 S212 A214 A222	P188-L190 PolarHBondContact O-N 3.28Å; P188-S193 WeakPolarHBondContact O-CB 3.32Å; P188-S193 PolarHBondContact O-OG 3.31Å; P188-L209 HydrophobicContact CB-CD2 4Å; P188-L209 HydrophobicContact CG-CD1 4.33Å; P188-L209 HydrophobicContact CG-CD2 3.95Å; P188-L209 HydrophobicContact CG-CG 4.49Å; P188-S212 WeakPolarHBondContact CD-OG 3.34Å; P188-A214 HydrophobicContact CG-CB 3.71Å; P188-A222 HydrophobicContact CB-CB 3.58Å; P188-A222 HydrophobicContact CG-CB 4.41Å
189	E	97.9	Very high	97.9	Very high	56 Å²	56	37.8 Å²	37.8	26%	0.262	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.4	176	74.8	-82.3	-161.1	0	0	113.8	S148 A187 N191 S212 V213 A214	S148-E189 VanDerWaalsContact CB-OE1 3.28Å; S148-E189 WeakPolarHBondContact CB-OE1 3.24Å; A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE2 3.08Å; A187-E189 PolarHBondContact O-N 3.47Å; E189-N191 PolarHBondContact O-N 2.88Å; E189-S212 WeakPolarHBondContact OE1-CA 3.35Å; E189-S212 PolarHBondContact OE1-OG 2.66Å; E189-S212 WeakPolarHBondContact OE2-CB 3.49Å; E189-S212 PolarHBondContact OE2-OG 3.48Å; E189-V213 HydrophobicContact CG-CG2 3.89Å; E189-V213 VanDerWaalsContact OE1-CG2 3.29Å; E189-V213 WeakPolarHBondContact OE1-CG2 3.3Å; E189-V213 PolarHBondContact OE1-N 3.08Å; E189-A214 HydrophobicContact CB-CB 4.27Å
190	L	97.9	Very high	98.1	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.157	15%	0.149	C	C	.	.	S	Bend	trans	-63.1	137.5	175.5	-64.4	-178.6	0	0	0	109.9	F146 F163 A187 P188 R192 S193	F146-L190 VanDerWaalsContact C-CD1 3.41Å; F146-L190 HydrophobicContact CB-CD1 4.16Å; F146-L190 WeakPolarHBondContact O-CD1 3.48Å; F163-L190 HydrophobicContact CD2-CB 4.06Å; F163-L190 HydrophobicContact CE2-CB 4.09Å; F163-L190 HydrophobicContact CE2-CD1 4.29Å; A187-L190 HydrophobicContact CB-CD1 4.23Å; A187-L190 HydrophobicContact CB-CG 4.05Å; A187-L190 WeakPolarHBondContact O-CB 3.39Å; A187-L190 WeakPolarHBondContact O-CG 3.39Å; A187-L190 PolarHBondContact O-N 3.43Å; P188-L190 PolarHBondContact O-N 3.28Å; L190-R192 PolarHBondContact O-N 2.69Å; L190-S193 WeakPolarHBondContact O-CB 3.33Å; L190-S193 PolarHBondContact O-N 3.11Å; L190-S193 VanDerWaalsContact O-N 3.09Å; L190-S193 PolarHBondContact O-OG 3.46Å
191	N	96.3	Very high	98.2	Very high	117 Å²	117	31.7 Å²	31.7	63%	0.626	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	135.1	-179.5	-172.8	26.5	0	0	0	110.1	F163 E189 S193	F163-N191 WeakPolarHBondContact CB-O 3.29Å; F163-N191 WeakPolarHBondContact CD2-O 3.3Å; E189-N191 PolarHBondContact O-N 2.88Å; N191-S193 PolarHBondContact O-N 3.17Å
192	R	96.5	Very high	98.1	Very high	55 Å²	55	35.3 Å²	35.3	21%	0.208	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	12.8	180	-50.5	-178.7	65.5	169.2	-14.7	116.3	F163 E164 D165 A167 L190 H194 E195	F163-R192 HydrophobicContact CB-CB 4.5Å; E164-R192 WeakPolarHBondContact O-CD 3.21Å; D165-R192 PolarHBondContact O-NH1 2.99Å; D165-R192 PolarHBondContact O-NH2 3.42Å; D165-R192 IonicContact OD1-NH1 2.98Å; A167-R192 HydrophobicContact CB-CB 3.97Å; L190-R192 PolarHBondContact O-N 2.69Å; R192-H194 PolarHBondContact O-N 3.49Å; R192-E195 IonicContact CZ-OE1 2.76Å; R192-E195 IonicContact CZ-OE2 3.72Å; R192-E195 IonicContact NE-OE1 3.09Å; R192-E195 PolarHBondContact NE-OE1 3.12Å; R192-E195 IonicContact NE-OE2 3.4Å; R192-E195 PolarHBondContact NE-OE2 3.32Å; R192-E195 IonicContact NH2-OE1 3.34Å; R192-E195 PolarHBondContact NH2-OE1 2.86Å; R192-E195 IonicContact NH2-OE2 2.96Å; R192-E195 PolarHBondContact NH2-OE2 2.79Å; R192-E195 PolarHBondContact O-N 3.14Å; R192-E195 VanDerWaalsContact O-N 3.13Å
193	S	97.8	Very high	98.1	Very high	11 Å²	11	38 Å²	38	8%	0.077	21%	0.205	C	C	.	.	H	α-helix	trans	-50.9	-39.4	172.6	61.5	0	0	0	0	112.8	P188 L190 N191 E195 V196 I197	P188-S193 WeakPolarHBondContact O-CB 3.32Å; P188-S193 PolarHBondContact O-OG 3.31Å; L190-S193 WeakPolarHBondContact O-CB 3.33Å; L190-S193 PolarHBondContact O-N 3.11Å; L190-S193 VanDerWaalsContact O-N 3.09Å; L190-S193 PolarHBondContact O-OG 3.46Å; N191-S193 PolarHBondContact O-N 3.17Å; S193-E195 VanDerWaalsContact C-N 3.3Å; S193-E195 PolarHBondContact O-N 3.37Å; S193-V196 WeakPolarHBondContact O-CA 3.19Å; S193-V196 WeakPolarHBondContact O-CB 3.5Å; S193-V196 PolarHBondContact O-N 3.32Å; S193-I197 VanDerWaalsContact O-CG1 3.27Å; S193-I197 WeakPolarHBondContact O-CG1 3.47Å; S193-I197 PolarHBondContact O-N 3.19Å
194	H	97.4	Very high	98	Very high	76 Å²	76	40.2 Å²	40.2	35%	0.352	23%	0.228	S	C	.	.	H	α-helix	trans	-55.8	-38.8	179.4	68.5	-76.5	0	0	0	113.9	R192 V196 I197 Q198	R192-H194 PolarHBondContact O-N 3.49Å; H194-V196 VanDerWaalsContact C-N 3.32Å; H194-V196 PolarHBondContact O-N 2.74Å; H194-I197 PolarHBondContact O-N 2.8Å; H194-Q198 VanDerWaalsContact O-CG 3.29Å; H194-Q198 WeakPolarHBondContact O-CG 3.31Å; H194-Q198 PolarHBondContact O-N 2.91Å
195	E	97.8	Very high	98	Very high	65 Å²	65	40.5 Å²	40.5	30%	0.304	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-40	176.8	-63.5	172.9	-138.4	0	0	111.1	R192 S193 A199	R192-E195 IonicContact CZ-OE1 2.76Å; R192-E195 IonicContact CZ-OE2 3.72Å; R192-E195 IonicContact NE-OE1 3.09Å; R192-E195 PolarHBondContact NE-OE1 3.12Å; R192-E195 IonicContact NE-OE2 3.4Å; R192-E195 PolarHBondContact NE-OE2 3.32Å; R192-E195 IonicContact NH2-OE1 3.34Å; R192-E195 PolarHBondContact NH2-OE1 2.86Å; R192-E195 IonicContact NH2-OE2 2.96Å; R192-E195 PolarHBondContact NH2-OE2 2.79Å; R192-E195 PolarHBondContact O-N 3.14Å; R192-E195 VanDerWaalsContact O-N 3.13Å; S193-E195 VanDerWaalsContact C-N 3.3Å; S193-E195 PolarHBondContact O-N 3.37Å; E195-A199 WeakPolarHBondContact O-CB 3.44Å; E195-A199 PolarHBondContact O-N 2.85Å
196	V	98.5	Very high	98	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-43.3	177.8	171.9	0	0	0	0	111.1	F163 A167 V171 L186 S193 H194 Q198 A199 L200	F163-V196 HydrophobicContact CD1-CG2 3.84Å; F163-V196 HydrophobicContact CE1-CB 4.3Å; F163-V196 HydrophobicContact CE1-CG1 4.19Å; F163-V196 HydrophobicContact CE1-CG2 3.67Å; F163-V196 HydrophobicContact CE2-CG2 4.41Å; F163-V196 HydrophobicContact CG-CG2 4.3Å; F163-V196 HydrophobicContact CZ-CB 4.17Å; F163-V196 HydrophobicContact CZ-CG1 4.07Å; F163-V196 HydrophobicContact CZ-CG2 3.97Å; A167-V196 HydrophobicContact CB-CG2 3.6Å; V171-V196 HydrophobicContact CG2-CB 4.49Å; V171-V196 HydrophobicContact CG2-CG1 3.64Å; V171-V196 HydrophobicContact CG2-CG2 4.01Å; L186-V196 HydrophobicContact CD2-CG1 3.92Å; S193-V196 WeakPolarHBondContact O-CA 3.19Å; S193-V196 WeakPolarHBondContact O-CB 3.5Å; S193-V196 PolarHBondContact O-N 3.32Å; H194-V196 VanDerWaalsContact C-N 3.32Å; H194-V196 PolarHBondContact O-N 2.74Å; V196-Q198 PolarHBondContact O-N 2.9Å; V196-A199 PolarHBondContact O-N 3.21Å; V196-L200 HydrophobicContact CG1-CD1 3.62Å; V196-L200 HydrophobicContact CG1-CG 4.14Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 3.22Å; V196-L200 PolarHBondContact O-N 2.84Å
197	I	98.7	Very high	98	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-51.6	176.3	-63	165.3	0	0	0	109.2	L186 S193 H194 A199 L200 T201 V207 A222 N225 A227	L186-I197 HydrophobicContact CD1-CD1 4.28Å; L186-I197 HydrophobicContact CD1-CG1 4.15Å; L186-I197 HydrophobicContact CD2-CG1 4.24Å; S193-I197 VanDerWaalsContact O-CG1 3.27Å; S193-I197 WeakPolarHBondContact O-CG1 3.47Å; S193-I197 PolarHBondContact O-N 3.19Å; H194-I197 PolarHBondContact O-N 2.8Å; I197-A199 VanDerWaalsContact C-N 3.35Å; I197-A199 PolarHBondContact O-N 3.09Å; I197-L200 PolarHBondContact O-N 3.18Å; I197-T201 WeakPolarHBondContact O-CB 3.25Å; I197-T201 PolarHBondContact O-N 2.64Å; I197-T201 PolarHBondContact O-OG1 2.96Å; I197-T201 VanDerWaalsContact O-OG1 3.05Å; I197-V207 HydrophobicContact CB-CG1 4.47Å; I197-V207 HydrophobicContact CG1-CG1 3.95Å; I197-V207 HydrophobicContact CG2-CB 4.28Å; I197-V207 HydrophobicContact CG2-CG1 4.23Å; I197-V207 HydrophobicContact CG2-CG2 4.34Å; I197-A222 HydrophobicContact CD1-CB 3.7Å; I197-N225 HydrophobicContact CB-CB 4.3Å; I197-N225 HydrophobicContact CG2-CB 4.01Å; I197-N225 WeakPolarHBondContact CG2-O 3.3Å; I197-A227 HydrophobicContact CG2-CB 4.16Å
198	Q	98.4	Very high	98	Very high	100 Å²	100	40.9 Å²	40.9	47%	0.467	23%	0.232	S	C	.	.	H	α-helix	trans	-58.4	-45.3	178.5	-72.3	176.2	-9.9	0	0	112.2	H194 V196 A202 N225	H194-Q198 VanDerWaalsContact O-CG 3.29Å; H194-Q198 WeakPolarHBondContact O-CG 3.31Å; H194-Q198 PolarHBondContact O-N 2.91Å; V196-Q198 PolarHBondContact O-N 2.9Å; Q198-A202 VanDerWaalsContact O-CB 3.27Å; Q198-A202 WeakPolarHBondContact O-CB 3.46Å; Q198-A202 PolarHBondContact O-N 2.82Å; Q198-N225 HydrophobicContact CG-CB 4.06Å; Q198-N225 PolarHBondContact NE2-OD1 2.88Å
199	A	98.3	Very high	98	Very high	26 Å²	26	40.5 Å²	40.5	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-42.2	-178.5	0	0	0	0	0	112.7	F168 E195 V196 I197 Q203	F168-A199 HydrophobicContact CB-CB 4.4Å; F168-A199 HydrophobicContact CD1-CB 4.34Å; F168-A199 HydrophobicContact CD2-CB 3.44Å; F168-A199 VanDerWaalsContact CD2-CB 3.44Å; F168-A199 HydrophobicContact CE2-CB 3.73Å; F168-A199 HydrophobicContact CG-CB 3.8Å; F168-A199 HydrophobicContact CZ-CB 4.3Å; E195-A199 WeakPolarHBondContact O-CB 3.44Å; E195-A199 PolarHBondContact O-N 2.85Å; V196-A199 PolarHBondContact O-N 3.21Å; I197-A199 VanDerWaalsContact C-N 3.35Å; I197-A199 PolarHBondContact O-N 3.09Å; A199-Q203 WeakPolarHBondContact O-CG 3.37Å; A199-Q203 PolarHBondContact O-N 3.31Å
200	L	98.6	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-47	176.6	-71.3	171.9	0	0	0	111.3	F168 V171 L178 V184 L186 V196 I197 A202 Q203 G204 I205 V207	F168-L200 HydrophobicContact CE2-CD2 4.01Å; F168-L200 HydrophobicContact CE2-CG 4.24Å; V171-L200 HydrophobicContact CG1-CD2 4.44Å; L178-L200 HydrophobicContact CD1-CD2 3.83Å; V184-L200 HydrophobicContact CB-CD1 3.92Å; V184-L200 HydrophobicContact CG1-CD1 3.94Å; V184-L200 HydrophobicContact CG2-CD1 4.1Å; V184-L200 HydrophobicContact CG2-CD2 4.23Å; L186-L200 HydrophobicContact CD2-CD1 4.4Å; V196-L200 HydrophobicContact CG1-CD1 3.62Å; V196-L200 HydrophobicContact CG1-CG 4.14Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 3.22Å; V196-L200 PolarHBondContact O-N 2.84Å; I197-L200 PolarHBondContact O-N 3.18Å; L200-A202 VanDerWaalsContact C-N 3.29Å; L200-A202 PolarHBondContact O-N 2.83Å; L200-Q203 CarbonylContact O-C 3.49Å; L200-Q203 WeakPolarHBondContact O-CA 3.4Å; L200-Q203 WeakPolarHBondContact O-CB 3.48Å; L200-Q203 PolarHBondContact O-N 3.04Å; L200-G204 PolarHBondContact O-N 3.36Å; L200-I205 HydrophobicContact CB-CB 4.26Å; L200-I205 HydrophobicContact CB-CG2 4.45Å; L200-I205 HydrophobicContact CD2-CB 4.48Å; L200-I205 HydrophobicContact CD2-CD1 3.81Å; L200-I205 HydrophobicContact CD2-CG2 4.36Å; L200-I205 WeakPolarHBondContact O-CB 3.29Å; L200-I205 PolarHBondContact O-N 3.33Å; L200-I205 VanDerWaalsContact O-N 3.09Å; L200-V207 HydrophobicContact CB-CG2 3.57Å; L200-V207 HydrophobicContact CD1-CG2 3.98Å; L200-V207 HydrophobicContact CG-CG2 4.44Å
201	T	97.5	Very high	98	Very high	53 Å²	53	36.8 Å²	36.8	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-36.8	178.3	-59.5	0	0	0	0	111.5	I197 Q203 G204 G226	I197-T201 WeakPolarHBondContact O-CB 3.25Å; I197-T201 PolarHBondContact O-N 2.64Å; I197-T201 PolarHBondContact O-OG1 2.96Å; I197-T201 VanDerWaalsContact O-OG1 3.05Å; T201-Q203 PolarHBondContact O-N 3.11Å; T201-G204 WeakPolarHBondContact O-CA 3.12Å; T201-G204 PolarHBondContact O-N 3.15Å; T201-G226 PolarHBondContact OG1-O 3.47Å
202	A	97.9	Very high	98.1	Very high	88 Å²	88	31.2 Å²	31.2	73%	0.727	18%	0.181	S	C	*	.	H	α-helix	trans	-63.1	-23.5	173.9	0	0	0	0	0	113.5	Q198 L200 G204	Q198-A202 VanDerWaalsContact O-CB 3.27Å; Q198-A202 WeakPolarHBondContact O-CB 3.46Å; Q198-A202 PolarHBondContact O-N 2.82Å; L200-A202 VanDerWaalsContact C-N 3.29Å; L200-A202 PolarHBondContact O-N 2.83Å; A202-G204 VanDerWaalsContact C-N 3.31Å
203	Q	97.6	Very high	98.2	Very high	108 Å²	108	30.1 Å²	30.1	51%	0.505	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.5	172.3	-64.7	-177.6	20.9	0	0	113	A199 L200 T201 I205	A199-Q203 WeakPolarHBondContact O-CG 3.37Å; A199-Q203 PolarHBondContact O-N 3.31Å; L200-Q203 CarbonylContact O-C 3.49Å; L200-Q203 WeakPolarHBondContact O-CA 3.4Å; L200-Q203 WeakPolarHBondContact O-CB 3.48Å; L200-Q203 PolarHBondContact O-N 3.04Å; T201-Q203 PolarHBondContact O-N 3.11Å; Q203-I205 VanDerWaalsContact C-N 3.25Å; Q203-I205 HydrophobicContact CB-CD1 4.29Å; Q203-I205 HydrophobicContact CB-CG1 4.31Å; Q203-I205 PolarHBondContact O-N 3.3Å
204	G	97.2	Very high	98.3	Very high	47 Å²	47	29.8 Å²	29.8	49%	0.485	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	11	-177.2	0	0	0	0	0	114.1	R182 L200 T201 A202	R182-G204 PolarHBondContact NH1-O 3.24Å; L200-G204 PolarHBondContact O-N 3.36Å; T201-G204 WeakPolarHBondContact O-CA 3.12Å; T201-G204 PolarHBondContact O-N 3.15Å; A202-G204 VanDerWaalsContact C-N 3.31Å
205	I	98.6	Very high	98.3	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.046	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-79.7	129.3	175.2	-61.5	172.7	0	0	0	108.2	L178 V181 V184 L200 Q203 V207	L178-I205 HydrophobicContact CB-CD1 3.97Å; L178-I205 HydrophobicContact CD1-CD1 4.05Å; V181-I205 HydrophobicContact CB-CD1 4.35Å; V181-I205 HydrophobicContact CG1-CD1 4.33Å; V181-I205 HydrophobicContact CG1-CG2 4.12Å; V184-I205 HydrophobicContact CB-CG2 4.45Å; V184-I205 HydrophobicContact CG2-CG2 3.84Å; L200-I205 HydrophobicContact CB-CB 4.26Å; L200-I205 HydrophobicContact CB-CG2 4.45Å; L200-I205 HydrophobicContact CD2-CB 4.48Å; L200-I205 HydrophobicContact CD2-CD1 3.81Å; L200-I205 HydrophobicContact CD2-CG2 4.36Å; L200-I205 WeakPolarHBondContact O-CB 3.29Å; L200-I205 PolarHBondContact O-N 3.33Å; L200-I205 VanDerWaalsContact O-N 3.09Å; Q203-I205 VanDerWaalsContact C-N 3.25Å; Q203-I205 HydrophobicContact CB-CD1 4.29Å; Q203-I205 HydrophobicContact CB-CG1 4.31Å; Q203-I205 PolarHBondContact O-N 3.3Å; I205-V207 PolarHBondContact O-N 2.69Å
206	C	98.7	Very high	98.3	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.054	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.4	174.9	173.7	0	0	0	0	109.4	R182 I183 V184 T228 L364	R182-C206 WeakPolarHBondContact O-CB 3.45Å; R182-C206 PolarHBondContact O-N 3.15Å; I183-C206 CarbonylContact C-O 2.94Å; I183-C206 VanDerWaalsContact CA-O 3.24Å; I183-C206 WeakPolarHBondContact CA-O 3.43Å; I183-C206 HydrophobicContact CG1-CB 4.06Å; V184-C206 PolarHBondContact N-O 2.97Å; C206-T228 PolarHBondContact SG-OG1 2.92Å; C206-T228 VanDerWaalsContact SG-OG1 3.34Å; C206-L364 VanDerWaalsContact SG-CD1 3.53Å
207	V	98.8	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.5	175.5	-174.9	0	0	0	0	109.5	L186 I197 L200 I205 A227 T228 F229	L186-V207 HydrophobicContact CD2-CG1 3.97Å; L186-V207 HydrophobicContact CG-CG1 4.05Å; I197-V207 HydrophobicContact CB-CG1 4.47Å; I197-V207 HydrophobicContact CG1-CG1 3.95Å; I197-V207 HydrophobicContact CG2-CB 4.28Å; I197-V207 HydrophobicContact CG2-CG1 4.23Å; I197-V207 HydrophobicContact CG2-CG2 4.34Å; L200-V207 HydrophobicContact CB-CG2 3.57Å; L200-V207 HydrophobicContact CD1-CG2 3.98Å; L200-V207 HydrophobicContact CG-CG2 4.44Å; I205-V207 PolarHBondContact O-N 2.69Å; V207-A227 HydrophobicContact CB-CB 4.33Å; V207-A227 HydrophobicContact CG1-CB 4.32Å; V207-T228 PolarHBondContact O-N 3.2Å; V207-F229 PolarHBondContact O-N 2.87Å
208	S	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.2	-179.4	-164.4	0	0	0	0	111.6	V184 T185 L186 F229 T231	V184-S208 PolarHBondContact O-N 2.95Å; T185-S208 VanDerWaalsContact CA-O 3.32Å; T185-S208 WeakPolarHBondContact CA-O 3.42Å; L186-S208 PolarHBondContact N-O 3.4Å; S208-F229 CarbonylContact C-O 3.58Å; S208-F229 VanDerWaalsContact CA-O 3.29Å; S208-F229 WeakPolarHBondContact CA-O 3.25Å; S208-F229 WeakPolarHBondContact OG-CB 3.38Å; S208-F229 WeakPolarHBondContact OG-CD1 3.3Å; S208-F229 PolarHBondContact OG-O 3.47Å; S208-T231 WeakPolarHBondContact CB-OG1 3.37Å; S208-T231 PolarHBondContact OG-N 2.99Å; S208-T231 VanDerWaalsContact OG-N 3.12Å; S208-T231 PolarHBondContact OG-OG1 2.92Å
209	L	98.8	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.7	175.9	-49.4	-175.6	0	0	0	109.1	P188 A219 A222 A227 F229 I230 T231 M237 I247 L250	P188-L209 HydrophobicContact CB-CD2 4Å; P188-L209 HydrophobicContact CG-CD1 4.33Å; P188-L209 HydrophobicContact CG-CD2 3.95Å; P188-L209 HydrophobicContact CG-CG 4.49Å; L209-A219 HydrophobicContact CD1-CB 4.35Å; L209-A222 HydrophobicContact CD1-CB 3.98Å; L209-A222 HydrophobicContact CD2-CB 3.76Å; L209-A227 HydrophobicContact CD2-CB 3.74Å; L209-A227 HydrophobicContact CG-CB 4.14Å; L209-F229 PolarHBondContact N-O 3.5Å; L209-I230 WeakPolarHBondContact O-CA 3.25Å; L209-T231 PolarHBondContact O-N 2.96Å; L209-M237 VanDerWaalsContact O-CE 3.25Å; L209-M237 WeakPolarHBondContact O-CE 3.26Å; L209-I247 HydrophobicContact CB-CD1 4.27Å; L209-L250 HydrophobicContact CD1-CD1 3.74Å
210	G	98.3	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.172	C	C	.	.			trans	-161.1	161.2	-175.4	0	0	0	0	0	112.1	L186 S212	L186-G210 PolarHBondContact O-N 2.99Å; G210-S212 VanDerWaalsContact C-N 3.33Å; G210-S212 PolarHBondContact O-N 3.12Å
211	H	98.3	Very high	98.3	Very high	8 Å²	8	29 Å²	29	4%	0.037	19%	0.192	C	C	.	.	S	Bend	trans	49.9	53.5	177.8	-70	-91.2	0	0	0	112.4	E143 I147 S148 K151 R152 H155 H232 A236	E143-H211 IonicContact OE1-CD2 2.65Å; E143-H211 PolarHBondContact OE1-CD2 3.41Å; E143-H211 IonicContact OE1-NE2 2.68Å; E143-H211 PolarHBondContact OE1-NE2 2.82Å; I147-H211 HydrophobicContact CB-CB 3.56Å; I147-H211 HydrophobicContact CD1-CB 3.79Å; I147-H211 HydrophobicContact CG1-CB 4.19Å; I147-H211 HydrophobicContact CG2-CB 3.7Å; S148-H211 WeakPolarHBondContact CA-O 3.36Å; S148-H211 WeakPolarHBondContact CB-O 3.17Å; S148-H211 PolarHBondContact N-O 2.84Å; K151-H211 WeakPolarHBondContact O-CB 3.48Å; K151-H211 PolarHBondContact O-ND1 2.96Å; R152-H211 PolarHBondContact O-ND1 2.63Å; H155-H211 AromaticContact CD2-CE1 3.41Å; H155-H211 PolarHBondContact CD2-CE1 3.07Å; H155-H211 VanDerWaalsContact CD2-CE1 3.41Å; H155-H211 AromaticContact CD2-ND1 3.86Å; H155-H211 AromaticContact CD2-NE2 3.91Å; H155-H211 AromaticContact NE2-CE1 3.46Å; H155-H211 PolarHBondContact NE2-CE1 3.22Å; H155-H211 AromaticContact NE2-NE2 3.47Å; H155-H211 PolarHBondContact NE2-NE2 3.46Å; H211-H232 AromaticContact CD2-CE1 3.69Å; H211-H232 AromaticContact CD2-NE2 3.81Å; H211-H232 AromaticContact NE2-CE1 3.33Å; H211-H232 PolarHBondContact NE2-CE1 2.96Å; H211-H232 VanDerWaalsContact NE2-CE1 3.33Å; H211-H232 AromaticContact NE2-NE2 3.13Å; H211-H232 PolarHBondContact NE2-NE2 3.15Å; H211-H232 VanDerWaalsContact NE2-NE2 3.13Å; H211-A236 CarbonylContact C-O 3.54Å; H211-A236 WeakPolarHBondContact CA-O 3.34Å; H211-A236 PolarHBondContact N-O 2.95Å; H211-A236 WeakPolarHBondContact ND1-CB 3.46Å
212	S	98.6	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-136.6	144.7	-161.8	166.6	0	0	0	0	112.1	P188 E189 G210 A214 A236 M237 I247	P188-S212 WeakPolarHBondContact CD-OG 3.34Å; E189-S212 WeakPolarHBondContact OE1-CA 3.35Å; E189-S212 PolarHBondContact OE1-OG 2.66Å; E189-S212 WeakPolarHBondContact OE2-CB 3.49Å; E189-S212 PolarHBondContact OE2-OG 3.48Å; G210-S212 VanDerWaalsContact C-N 3.33Å; G210-S212 PolarHBondContact O-N 3.12Å; S212-A214 WeakPolarHBondContact OG-CB 3.43Å; S212-A214 PolarHBondContact OG-N 3.36Å; S212-A236 PolarHBondContact N-O 3.48Å; S212-A236 VanDerWaalsContact N-O 3.11Å; S212-M237 WeakPolarHBondContact O-CA 3.41Å; S212-I247 WeakPolarHBondContact OG-CD1 3.36Å
213	V	98.3	Very high	98.3	Very high	33 Å²	33	22.5 Å²	22.5	20%	0.2	14%	0.144	C	C	.	.			trans	-99	19.2	168.8	-62.7	0	0	0	0	113	E150 K151 E189 L238	E150-V213 HydrophobicContact CB-CG1 3.77Å; K151-V213 HydrophobicContact CD-CG1 4.48Å; K151-V213 HydrophobicContact CG-CG1 3.52Å; E189-V213 HydrophobicContact CG-CG2 3.89Å; E189-V213 VanDerWaalsContact OE1-CG2 3.29Å; E189-V213 WeakPolarHBondContact OE1-CG2 3.3Å; E189-V213 PolarHBondContact OE1-N 3.08Å; V213-L238 HydrophobicContact CB-CD2 4.13Å; V213-L238 HydrophobicContact CB-CG 4.3Å; V213-L238 HydrophobicContact CG1-CD2 4.14Å; V213-L238 VanDerWaalsContact O-CD1 3.25Å; V213-L238 WeakPolarHBondContact O-CD1 3.26Å
214	A	98.2	Very high	98.3	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.025	14%	0.143	C	C	.	.			trans	-66.2	136.9	-177.2	0	0	0	0	0	112.9	P188 E189 S212 A218 I247	P188-A214 HydrophobicContact CG-CB 3.71Å; E189-A214 HydrophobicContact CB-CB 4.27Å; S212-A214 WeakPolarHBondContact OG-CB 3.43Å; S212-A214 PolarHBondContact OG-N 3.36Å; A214-A218 HydrophobicContact CB-CB 4.08Å; A214-I247 HydrophobicContact CB-CD1 4.27Å; A214-I247 HydrophobicContact CB-CG1 4.24Å
215	D	98.3	Very high	98.4	Very high	75 Å²	75	21.7 Å²	21.7	40%	0.401	13%	0.128	S	C	.	.			trans	-70.1	172.2	163.5	63	25	0	0	0	111.2	G217 A218 A219 D244	D215-G217 VanDerWaalsContact C-N 3.25Å; D215-G217 PolarHBondContact O-N 3.13Å; D215-G217 PolarHBondContact OD1-N 2.77Å; D215-G217 VanDerWaalsContact OD1-N 3.13Å; D215-A218 WeakPolarHBondContact OD1-CB 3.41Å; D215-A218 PolarHBondContact OD1-N 3.15Å; D215-A219 WeakPolarHBondContact O-CB 3.44Å; D215-A219 PolarHBondContact O-N 3.35Å; D215-A219 VanDerWaalsContact O-N 3.15Å; D215-D244 WeakPolarHBondContact CB-OD2 3.4Å
216	L	98.4	Very high	98.3	Very high	35 Å²	35	21.7 Å²	21.7	18%	0.183	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-37.2	177.3	177	61.1	0	0	0	112.1	A219 E220 D244 P245 L250	L216-A219 PolarHBondContact O-N 2.83Å; L216-E220 HydrophobicContact CD1-CG 3.94Å; L216-E220 HydrophobicContact CG-CG 4.17Å; L216-E220 WeakPolarHBondContact O-CB 3.49Å; L216-E220 VanDerWaalsContact O-CG 3.29Å; L216-E220 WeakPolarHBondContact O-CG 3.2Å; L216-E220 PolarHBondContact O-N 2.81Å; L216-D244 PolarHBondContact N-OD1 3.49Å; L216-P245 HydrophobicContact CB-CG 4.17Å; L216-P245 HydrophobicContact CD2-CG 3.74Å; L216-P245 HydrophobicContact CG-CG 4.38Å; L216-L250 HydrophobicContact CD1-CD2 4.21Å
217	G	98.2	Very high	98.3	Very high	33 Å²	33	21.3 Å²	21.3	34%	0.34	13%	0.128	S	C	.	.	H	α-helix	trans	-64.6	-47.1	-176.6	0	0	0	0	0	112.6	D215 A219 E220 V221	D215-G217 VanDerWaalsContact C-N 3.25Å; D215-G217 PolarHBondContact O-N 3.13Å; D215-G217 PolarHBondContact OD1-N 2.77Å; D215-G217 VanDerWaalsContact OD1-N 3.13Å; G217-A219 VanDerWaalsContact C-N 3.32Å; G217-A219 PolarHBondContact O-N 3.29Å; G217-E220 PolarHBondContact O-N 3.33Å; G217-V221 WeakPolarHBondContact O-CG2 3.42Å; G217-V221 PolarHBondContact O-N 3.45Å
218	A	98.3	Very high	98.2	Very high	29 Å²	29	22.8 Å²	22.8	24%	0.24	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-38.9	174.7	0	0	0	0	0	111.6	A214 D215 V221 A222	A214-A218 HydrophobicContact CB-CB 4.08Å; D215-A218 WeakPolarHBondContact OD1-CB 3.41Å; D215-A218 PolarHBondContact OD1-N 3.15Å; A218-V221 PolarHBondContact O-N 2.91Å; A218-A222 WeakPolarHBondContact O-CB 3.39Å; A218-A222 PolarHBondContact O-N 3.37Å
219	A	98.4	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-43.1	175.9	0	0	0	0	0	112	L209 D215 L216 G217 A222 V223 I247 L250	L209-A219 HydrophobicContact CD1-CB 4.35Å; D215-A219 WeakPolarHBondContact O-CB 3.44Å; D215-A219 PolarHBondContact O-N 3.35Å; D215-A219 VanDerWaalsContact O-N 3.15Å; L216-A219 PolarHBondContact O-N 2.83Å; G217-A219 VanDerWaalsContact C-N 3.32Å; G217-A219 PolarHBondContact O-N 3.29Å; A219-A222 WeakPolarHBondContact O-CB 3.41Å; A219-A222 PolarHBondContact O-N 2.96Å; A219-V223 WeakPolarHBondContact O-CG2 3.34Å; A219-V223 PolarHBondContact O-N 3.06Å; A219-I247 HydrophobicContact CB-CG1 3.93Å; A219-L250 HydrophobicContact CB-CD1 3.88Å; A219-L250 HydrophobicContact CB-CD2 4.02Å; A219-L250 HydrophobicContact CB-CG 3.93Å
220	E	98.4	Very high	98.2	Very high	10 Å²	10	22.8 Å²	22.8	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-43.4	175.2	-75.1	172.7	167.6	0	0	111.8	L216 G217 A222 V223 Q224 L250 S253 R255 L256	L216-E220 HydrophobicContact CD1-CG 3.94Å; L216-E220 HydrophobicContact CG-CG 4.17Å; L216-E220 WeakPolarHBondContact O-CB 3.49Å; L216-E220 VanDerWaalsContact O-CG 3.29Å; L216-E220 WeakPolarHBondContact O-CG 3.2Å; L216-E220 PolarHBondContact O-N 2.81Å; G217-E220 PolarHBondContact O-N 3.33Å; E220-A222 VanDerWaalsContact C-N 3.28Å; E220-A222 PolarHBondContact O-N 3.46Å; E220-V223 PolarHBondContact O-N 3.01Å; E220-Q224 VanDerWaalsContact O-CG 3.3Å; E220-Q224 WeakPolarHBondContact O-CG 3.42Å; E220-Q224 PolarHBondContact O-N 2.64Å; E220-L250 HydrophobicContact CG-CD2 4.02Å; E220-S253 PolarHBondContact OE1-OG 3.16Å; E220-R255 HydrophobicContact CG-CB 4.38Å; E220-R255 WeakPolarHBondContact OE1-CD 3.5Å; E220-R255 WeakPolarHBondContact OE2-CD 3.25Å; E220-R255 IonicContact OE2-NH1 2.86Å; E220-L256 HydrophobicContact CG-CD2 4.34Å
221	V	98.2	Very high	98.2	Very high	69 Å²	69	22.8 Å²	22.8	42%	0.418	14%	0.138	S	C	.	.	H	α-helix	trans	-59.8	-41.1	174.1	169.7	0	0	0	0	110.5	G217 A218 V223 Q224 N225	G217-V221 WeakPolarHBondContact O-CG2 3.42Å; G217-V221 PolarHBondContact O-N 3.45Å; A218-V221 PolarHBondContact O-N 2.91Å; V221-V223 PolarHBondContact O-N 2.89Å; V221-Q224 WeakPolarHBondContact O-CB 3.38Å; V221-Q224 PolarHBondContact O-N 2.82Å; V221-N225 WeakPolarHBondContact CG1-ND2 3.29Å; V221-N225 PolarHBondContact O-N 3.04Å; V221-N225 PolarHBondContact O-ND2 2.98Å
222	A	98.4	Very high	98.2	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-42.6	176.9	0	0	0	0	0	112.3	P188 I197 L209 A218 A219 E220 N225 G226 A227	P188-A222 HydrophobicContact CB-CB 3.58Å; P188-A222 HydrophobicContact CG-CB 4.41Å; I197-A222 HydrophobicContact CD1-CB 3.7Å; L209-A222 HydrophobicContact CD1-CB 3.98Å; L209-A222 HydrophobicContact CD2-CB 3.76Å; A218-A222 WeakPolarHBondContact O-CB 3.39Å; A218-A222 PolarHBondContact O-N 3.37Å; A219-A222 WeakPolarHBondContact O-CB 3.41Å; A219-A222 PolarHBondContact O-N 2.96Å; E220-A222 VanDerWaalsContact C-N 3.28Å; E220-A222 PolarHBondContact O-N 3.46Å; A222-N225 CarbonylContact O-C 3.41Å; A222-N225 PolarHBondContact O-N 3.02Å; A222-N225 VanDerWaalsContact O-N 3.16Å; A222-G226 PolarHBondContact O-N 3.47Å; A222-A227 HydrophobicContact CB-CB 4.32Å; A222-A227 WeakPolarHBondContact O-CB 3.28Å; A222-A227 PolarHBondContact O-N 3.33Å; A222-A227 VanDerWaalsContact O-N 3.07Å
223	V	98.4	Very high	98.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-40.4	175	178.1	0	0	0	0	111.6	A219 E220 V221 N225 G226 A227 L250 L256 I262	A219-V223 WeakPolarHBondContact O-CG2 3.34Å; A219-V223 PolarHBondContact O-N 3.06Å; E220-V223 PolarHBondContact O-N 3.01Å; V221-V223 PolarHBondContact O-N 2.89Å; V223-N225 PolarHBondContact O-N 3.17Å; V223-G226 PolarHBondContact O-N 3.19Å; V223-A227 WeakPolarHBondContact CA-O 3.15Å; V223-L250 HydrophobicContact CG2-CD1 3.92Å; V223-L250 HydrophobicContact CG2-CD2 4Å; V223-L256 HydrophobicContact CB-CD2 4.13Å; V223-L256 HydrophobicContact CG1-CD2 4Å; V223-L256 HydrophobicContact CG2-CD2 4.36Å; V223-I262 HydrophobicContact CG2-CD1 3.96Å
224	Q	97.5	Very high	98.1	Very high	106 Å²	106	24.2 Å²	24.2	50%	0.495	14%	0.141	S	C	.	.	H	α-helix	trans	-60.2	-27.8	174	-71.3	168.1	8.8	0	0	112.8	E220 V221 P257	E220-Q224 VanDerWaalsContact O-CG 3.3Å; E220-Q224 WeakPolarHBondContact O-CG 3.42Å; E220-Q224 PolarHBondContact O-N 2.64Å; V221-Q224 WeakPolarHBondContact O-CB 3.38Å; V221-Q224 PolarHBondContact O-N 2.82Å; Q224-P257 HydrophobicContact CG-CG 4.41Å
225	N	97.5	Very high	98	Very high	32 Å²	32	25.8 Å²	25.8	17%	0.171	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.4	175.8	-75.5	-72.3	0	0	0	113.9	I197 Q198 V221 A222 V223	I197-N225 HydrophobicContact CB-CB 4.3Å; I197-N225 HydrophobicContact CG2-CB 4.01Å; I197-N225 WeakPolarHBondContact CG2-O 3.3Å; Q198-N225 HydrophobicContact CG-CB 4.06Å; Q198-N225 PolarHBondContact NE2-OD1 2.88Å; V221-N225 WeakPolarHBondContact CG1-ND2 3.29Å; V221-N225 PolarHBondContact O-N 3.04Å; V221-N225 PolarHBondContact O-ND2 2.98Å; A222-N225 CarbonylContact O-C 3.41Å; A222-N225 PolarHBondContact O-N 3.02Å; A222-N225 VanDerWaalsContact O-N 3.16Å; V223-N225 PolarHBondContact O-N 3.17Å
226	G	97.4	Very high	97.8	Very high	10 Å²	10	23.5 Å²	23.5	10%	0.103	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.9	9.7	171.7	0	0	0	0	0	115.9	T201 A222 V223	T201-G226 PolarHBondContact OG1-O 3.47Å; A222-G226 PolarHBondContact O-N 3.47Å; V223-G226 PolarHBondContact O-N 3.19Å
227	A	98.3	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.133	C	C	.	.			trans	-70.1	134.1	170.2	0	0	0	0	0	111.1	I197 V207 L209 A222 V223	I197-A227 HydrophobicContact CG2-CB 4.16Å; V207-A227 HydrophobicContact CB-CB 4.33Å; V207-A227 HydrophobicContact CG1-CB 4.32Å; L209-A227 HydrophobicContact CD2-CB 3.74Å; L209-A227 HydrophobicContact CG-CB 4.14Å; A222-A227 HydrophobicContact CB-CB 4.32Å; A222-A227 WeakPolarHBondContact O-CB 3.28Å; A222-A227 PolarHBondContact O-N 3.33Å; A222-A227 VanDerWaalsContact O-N 3.07Å; V223-A227 WeakPolarHBondContact CA-O 3.15Å
228	T	97.8	Very high	97.7	Very high	31 Å²	31	23.4 Å²	23.4	19%	0.19	13%	0.132	C	C	.	.			trans	-126.8	-3.1	-171	48.6	0	0	0	0	113.7	C206 V207 H260 F263	C206-T228 PolarHBondContact SG-OG1 2.92Å; C206-T228 VanDerWaalsContact SG-OG1 3.34Å; V207-T228 PolarHBondContact O-N 3.2Å; T228-H260 WeakPolarHBondContact CG2-NE2 3.43Å; T228-F263 PolarHBondContact O-N 3.29Å
229	F	98.8	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.4	-175.6	-162.9	-135.9	0	0	0	112.9	V70 V207 S208 L209 F263 Y264 G265 V290 L364	V70-F229 HydrophobicContact CG2-CE1 4.23Å; V70-F229 HydrophobicContact CG2-CZ 4.04Å; V207-F229 PolarHBondContact O-N 2.87Å; S208-F229 CarbonylContact C-O 3.58Å; S208-F229 VanDerWaalsContact CA-O 3.29Å; S208-F229 WeakPolarHBondContact CA-O 3.25Å; S208-F229 WeakPolarHBondContact OG-CB 3.38Å; S208-F229 WeakPolarHBondContact OG-CD1 3.3Å; S208-F229 PolarHBondContact OG-O 3.47Å; L209-F229 PolarHBondContact N-O 3.5Å; F229-F263 CarbonylContact C-O 3.57Å; F229-F263 VanDerWaalsContact CA-O 3.31Å; F229-F263 WeakPolarHBondContact CA-O 3.39Å; F229-F263 VanDerWaalsContact CD2-C 3.43Å; F229-F263 HydrophobicContact CD2-CB 3.59Å; F229-F263 WeakPolarHBondContact CD2-O 3.37Å; F229-F263 HydrophobicContact CE2-CB 4.03Å; F229-Y264 VanDerWaalsContact CE2-C 3.45Å; F229-G265 VanDerWaalsContact CE2-N 3.26Å; F229-V290 HydrophobicContact CE2-CB 4.02Å; F229-V290 HydrophobicContact CE2-CG2 4.08Å; F229-V290 HydrophobicContact CZ-CB 4.35Å; F229-V290 HydrophobicContact CZ-CG1 4.47Å; F229-L364 HydrophobicContact CB-CD1 3.82Å; F229-L364 HydrophobicContact CD1-CD2 4.19Å; F229-L364 HydrophobicContact CD2-CD1 3.82Å; F229-L364 HydrophobicContact CD2-CD2 3.64Å; F229-L364 HydrophobicContact CD2-CG 4.38Å; F229-L364 HydrophobicContact CE1-CD2 4.15Å; F229-L364 HydrophobicContact CE2-CD2 3.58Å; F229-L364 HydrophobicContact CG-CD1 3.88Å; F229-L364 HydrophobicContact CG-CD2 3.97Å; F229-L364 HydrophobicContact CZ-CD2 3.86Å
230	I	98.8	Very high	97.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.8	171.7	-55.3	177	0	0	0	106.9	L209 L233 M237 I247 L250 L251 I262 F263 Y264 G265	L209-I230 WeakPolarHBondContact O-CA 3.25Å; I230-L233 HydrophobicContact CD1-CD1 4.35Å; I230-L233 HydrophobicContact CG2-CB 4.45Å; I230-L233 HydrophobicContact CG2-CD1 3.86Å; I230-M237 HydrophobicContact CG2-CE 3.53Å; I230-M237 HydrophobicContact CG2-SD 4.01Å; I230-I247 HydrophobicContact CD1-CG2 3.98Å; I230-I247 HydrophobicContact CG1-CG2 4.18Å; I230-I247 HydrophobicContact CG2-CG2 3.61Å; I230-L250 HydrophobicContact CD1-CB 3.99Å; I230-L250 HydrophobicContact CD1-CD1 3.95Å; I230-L250 HydrophobicContact CG1-CD1 4.3Å; I230-L251 HydrophobicContact CD1-CD2 4.35Å; I230-I262 HydrophobicContact CD1-CG1 3.95Å; I230-I262 HydrophobicContact CG1-CD1 4.15Å; I230-I262 HydrophobicContact CG1-CG1 4Å; I230-F263 PolarHBondContact N-O 3.3Å; I230-Y264 CarbonylContact O-C 3.37Å; I230-Y264 WeakPolarHBondContact O-CA 3.34Å; I230-G265 PolarHBondContact O-N 2.95Å
231	T	98.7	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	132.1	-179.5	-52	0	0	0	0	109.5	T185 S208 L209 L233 M237	T185-T231 HydrophobicContact CG2-CG2 4.22Å; T185-T231 VanDerWaalsContact CG2-OG1 3.23Å; T185-T231 WeakPolarHBondContact CG2-OG1 3.38Å; T185-T231 PolarHBondContact OG1-OG1 3.31Å; S208-T231 WeakPolarHBondContact CB-OG1 3.37Å; S208-T231 PolarHBondContact OG-N 2.99Å; S208-T231 VanDerWaalsContact OG-N 3.12Å; S208-T231 PolarHBondContact OG-OG1 2.92Å; L209-T231 PolarHBondContact O-N 2.96Å; T231-L233 VanDerWaalsContact C-N 3.34Å; T231-L233 PolarHBondContact O-N 3.2Å; T231-M237 VanDerWaalsContact O-CE 3.32Å; T231-M237 WeakPolarHBondContact O-CE 3.22Å
232	H	97.5	Very high	97.2	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	27.9	60.4	176.4	52.5	36.3	0	0	0	115.5	Q71 E143 H211 F234 N235 G265 I267 D294	Q71-H232 PolarHBondContact NE2-CD2 2.85Å; E143-H232 IonicContact OE1-CD2 3.35Å; E143-H232 IonicContact OE1-CE1 3.66Å; E143-H232 IonicContact OE1-NE2 2.72Å; E143-H232 PolarHBondContact OE1-NE2 3.49Å; H211-H232 AromaticContact CD2-CE1 3.69Å; H211-H232 AromaticContact CD2-NE2 3.81Å; H211-H232 AromaticContact NE2-CE1 3.33Å; H211-H232 PolarHBondContact NE2-CE1 2.96Å; H211-H232 VanDerWaalsContact NE2-CE1 3.33Å; H211-H232 AromaticContact NE2-NE2 3.13Å; H211-H232 PolarHBondContact NE2-NE2 3.15Å; H211-H232 VanDerWaalsContact NE2-NE2 3.13Å; H232-F234 PolarHBondContact O-N 3.36Å; H232-N235 HydrophobicContact CB-CB 4.35Å; H232-N235 PolarHBondContact ND1-O 2.69Å; H232-N235 VanDerWaalsContact O-CB 3.27Å; H232-N235 WeakPolarHBondContact O-CB 3.38Å; H232-N235 PolarHBondContact O-N 3.11Å; H232-N235 PolarHBondContact O-ND2 3.38Å; H232-G265 CarbonylContact C-O 3.54Å; H232-G265 VanDerWaalsContact CA-O 3.3Å; H232-G265 WeakPolarHBondContact CA-O 3.45Å; H232-I267 HydrophobicContact CB-CD1 3.7Å; H232-I267 HydrophobicContact CB-CG1 4.06Å; H232-D294 IonicContact CD2-OD2 3.55Å
233	L	98.1	Very high	97.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.5	136.6	-174	-178	78.5	0	0	0	113	I230 T231 N235 V248 L251 Y264 G265 M266 A281	I230-L233 HydrophobicContact CD1-CD1 4.35Å; I230-L233 HydrophobicContact CG2-CB 4.45Å; I230-L233 HydrophobicContact CG2-CD1 3.86Å; T231-L233 VanDerWaalsContact C-N 3.34Å; T231-L233 PolarHBondContact O-N 3.2Å; L233-N235 VanDerWaalsContact C-N 3.26Å; L233-N235 PolarHBondContact O-N 3.38Å; L233-N235 PolarHBondContact O-ND2 3.49Å; L233-V248 HydrophobicContact CD1-CG2 4.11Å; L233-L251 HydrophobicContact CD2-CD1 3.75Å; L233-L251 HydrophobicContact CD2-CG 4.49Å; L233-Y264 HydrophobicContact CB-CD2 4.17Å; L233-Y264 HydrophobicContact CD2-CD2 3.68Å; L233-Y264 HydrophobicContact CD2-CE2 4.03Å; L233-Y264 HydrophobicContact CD2-CG 4.32Å; L233-Y264 HydrophobicContact CG-CD2 4.48Å; L233-G265 PolarHBondContact N-O 3.36Å; L233-M266 HydrophobicContact CB-SD 3.7Å; L233-M266 HydrophobicContact CD2-SD 3.8Å; L233-M266 HydrophobicContact CG-SD 4.3Å; L233-A281 HydrophobicContact CD2-CB 3.78Å
234	F	97.1	Very high	97.1	Very high	65 Å²	65	51.4 Å²	51.4	29%	0.285	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-31.3	-171.3	-50	-65.7	0	0	0	115.3	H232 V248 M266 T273 A277 A281	H232-F234 PolarHBondContact O-N 3.36Å; F234-V248 HydrophobicContact CD1-CG2 3.95Å; F234-V248 HydrophobicContact CE1-CG1 3.84Å; F234-V248 HydrophobicContact CE1-CG2 4.05Å; F234-M266 HydrophobicContact CD2-CE 4.14Å; F234-M266 HydrophobicContact CE2-CE 3.98Å; F234-M266 HydrophobicContact CE2-SD 4.45Å; F234-T273 HydrophobicContact CD2-CG2 4.24Å; F234-A277 HydrophobicContact CD2-CB 4.13Å; F234-A277 HydrophobicContact CE2-CB 3.8Å; F234-A277 HydrophobicContact CZ-CB 4.21Å; F234-A281 HydrophobicContact CE2-CB 4.04Å; F234-A281 HydrophobicContact CZ-CB 4.18Å
235	N	94.8	Very high	97.1	Very high	35 Å²	35	47.4 Å²	47.4	19%	0.187	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	134.3	-177.4	-56.1	-83	0	0	0	110.1	H232 L233 M237	H232-N235 HydrophobicContact CB-CB 4.35Å; H232-N235 PolarHBondContact ND1-O 2.69Å; H232-N235 VanDerWaalsContact O-CB 3.27Å; H232-N235 WeakPolarHBondContact O-CB 3.38Å; H232-N235 PolarHBondContact O-N 3.11Å; H232-N235 PolarHBondContact O-ND2 3.38Å; L233-N235 VanDerWaalsContact C-N 3.26Å; L233-N235 PolarHBondContact O-N 3.38Å; L233-N235 PolarHBondContact O-ND2 3.49Å; N235-M237 VanDerWaalsContact C-N 3.25Å; N235-M237 WeakPolarHBondContact O-CG 3.46Å; N235-M237 PolarHBondContact O-N 3.48Å
236	A	95.1	Very high	97.1	Very high	27 Å²	27	46 Å²	46	22%	0.223	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	39.6	-179.3	0	0	0	0	0	114.3	K151 H211 S212	K151-A236 HydrophobicContact CB-CB 4.5Å; K151-A236 WeakPolarHBondContact CB-O 3.47Å; K151-A236 WeakPolarHBondContact O-CB 3.37Å; H211-A236 CarbonylContact C-O 3.54Å; H211-A236 WeakPolarHBondContact CA-O 3.34Å; H211-A236 PolarHBondContact N-O 2.95Å; H211-A236 WeakPolarHBondContact ND1-CB 3.46Å; S212-A236 PolarHBondContact N-O 3.48Å; S212-A236 VanDerWaalsContact N-O 3.11Å
237	M	96.9	Very high	97.1	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.03	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-129.5	170.2	174.7	-57.8	-171.7	160.5	0	0	111.3	K151 L209 S212 I230 T231 N235 I247	K151-M237 VanDerWaalsContact CE-O 3.22Å; K151-M237 WeakPolarHBondContact CE-O 3.45Å; K151-M237 PolarHBondContact NZ-O 2.77Å; L209-M237 VanDerWaalsContact O-CE 3.25Å; L209-M237 WeakPolarHBondContact O-CE 3.26Å; S212-M237 WeakPolarHBondContact O-CA 3.41Å; I230-M237 HydrophobicContact CG2-CE 3.53Å; I230-M237 HydrophobicContact CG2-SD 4.01Å; T231-M237 VanDerWaalsContact O-CE 3.32Å; T231-M237 WeakPolarHBondContact O-CE 3.22Å; N235-M237 VanDerWaalsContact C-N 3.25Å; N235-M237 WeakPolarHBondContact O-CG 3.46Å; N235-M237 PolarHBondContact O-N 3.48Å; M237-I247 HydrophobicContact CE-CD1 4.19Å; M237-I247 HydrophobicContact CE-CG2 3.99Å; M237-I247 HydrophobicContact SD-CB 4.06Å; M237-I247 HydrophobicContact SD-CD1 4.37Å; M237-I247 HydrophobicContact SD-CG2 3.73Å
238	L	97	Very high	97.1	Very high	61 Å²	61	46.4 Å²	46.4	32%	0.319	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-60.5	140.1	164.5	-68.7	-176.2	0	0	0	110.5	V213	V213-L238 HydrophobicContact CB-CD2 4.13Å; V213-L238 HydrophobicContact CB-CG 4.3Å; V213-L238 HydrophobicContact CG1-CD2 4.14Å; V213-L238 VanDerWaalsContact O-CD1 3.25Å; V213-L238 WeakPolarHBondContact O-CD1 3.26Å
239	P	95.6	Very high	97.1	Very high	102 Å²	102	45.1 Å²	45.1	66%	0.662	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-61.1	146.7	169.3	-19	31.7	0	0	0	110.8	H241	P239-H241 PolarHBondContact O-N 3.49Å
240	F	94.8	Very high	97.1	Very high	131 Å²	131	45.2 Å²	45.2	58%	0.575	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-58.5	129.8	173.1	178.4	-85.7	0	0	0	111.1	P245 V248	F240-P245 HydrophobicContact CD2-CB 3.6Å; F240-P245 HydrophobicContact CE2-CB 3.38Å; F240-P245 HydrophobicContact CZ-CB 4.22Å; F240-V248 HydrophobicContact CD2-CB 4.29Å; F240-V248 HydrophobicContact CD2-CG1 3.99Å
241	H	97	Very high	97	Very high	76 Å²	76	45.8 Å²	45.8	35%	0.352	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-131.7	139.6	172.3	-177.1	-85.8	0	0	0	110.5	P239 R243 D244 P245	P239-H241 PolarHBondContact O-N 3.49Å; H241-R243 VanDerWaalsContact C-N 3.27Å; H241-R243 VanDerWaalsContact CE1-CZ 3.47Å; H241-R243 PolarHBondContact ND1-N 3.4Å; H241-R243 PolarHBondContact O-N 3.5Å; H241-R243 VanDerWaalsContact O-N 3.15Å; H241-D244 CarbonylContact C-O 3.49Å; H241-D244 WeakPolarHBondContact CB-O 3.26Å; H241-D244 PolarHBondContact N-O 2.8Å; H241-D244 CarbonylContact O-C 3.52Å; H241-D244 PolarHBondContact O-N 3.21Å; H241-D244 VanDerWaalsContact O-N 3.08Å; H241-P245 WeakPolarHBondContact O-CA 3.44Å; H241-P245 VanDerWaalsContact O-N 3.16Å
242	H	95.9	Very high	96.9	Very high	140 Å²	140	50.7 Å²	50.7	65%	0.648	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.8	-171.5	60.8	-81.4	0	0	0	115.2
243	R	96.8	Very high	96.8	Very high	192 Å²	192	51.4 Å²	51.4	73%	0.725	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-25.6	175.5	-67.7	-167.3	-65.2	-87.4	4.3	113.7	H241	H241-R243 VanDerWaalsContact C-N 3.27Å; H241-R243 VanDerWaalsContact CE1-CZ 3.47Å; H241-R243 PolarHBondContact ND1-N 3.4Å; H241-R243 PolarHBondContact O-N 3.5Å; H241-R243 VanDerWaalsContact O-N 3.15Å
244	D	97.3	Very high	96.6	Very high	60 Å²	60	58.5 Å²	58.5	32%	0.321	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-152.8	101.7	178.6	177.4	8	0	0	0	107.2	D215 L216 H241 G246	D215-D244 WeakPolarHBondContact CB-OD2 3.4Å; L216-D244 PolarHBondContact N-OD1 3.49Å; H241-D244 CarbonylContact C-O 3.49Å; H241-D244 WeakPolarHBondContact CB-O 3.26Å; H241-D244 PolarHBondContact N-O 2.8Å; H241-D244 CarbonylContact O-C 3.52Å; H241-D244 PolarHBondContact O-N 3.21Å; H241-D244 VanDerWaalsContact O-N 3.08Å; D244-G246 PolarHBondContact O-N 3.23Å; D244-G246 PolarHBondContact OD1-N 3.46Å
245	P	97.3	Very high	96.5	Very high	22 Å²	22	63.2 Å²	63.2	14%	0.143	32%	0.315	C	S	.	.			trans	-76.9	-1.1	-175.8	33.7	-38.1	0	0	0	112.8	L216 F240 H241 V248 G249	L216-P245 HydrophobicContact CB-CG 4.17Å; L216-P245 HydrophobicContact CD2-CG 3.74Å; L216-P245 HydrophobicContact CG-CG 4.38Å; F240-P245 HydrophobicContact CD2-CB 3.6Å; F240-P245 HydrophobicContact CE2-CB 3.38Å; F240-P245 HydrophobicContact CZ-CB 4.22Å; H241-P245 WeakPolarHBondContact O-CA 3.44Å; H241-P245 VanDerWaalsContact O-N 3.16Å; P245-V248 PolarHBondContact O-N 2.94Å; P245-G249 PolarHBondContact O-N 3.39Å
246	G	98.1	Very high	96.4	Very high	1 Å²	1	63 Å²	63	1%	0.01	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	58.7	-151.7	-175.6	0	0	0	0	0	112.3	D244 V248 G249	D244-G246 PolarHBondContact O-N 3.23Å; D244-G246 PolarHBondContact OD1-N 3.46Å; G246-V248 PolarHBondContact O-N 3.04Å; G246-G249 PolarHBondContact O-N 3.3Å
247	I	98.4	Very high	96.3	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.026	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.7	-33.5	176.4	-69.4	172.2	0	0	0	112.6	L209 S212 A214 A219 I230 M237 G249 L250	L209-I247 HydrophobicContact CB-CD1 4.27Å; S212-I247 WeakPolarHBondContact OG-CD1 3.36Å; A214-I247 HydrophobicContact CB-CD1 4.27Å; A214-I247 HydrophobicContact CB-CG1 4.24Å; A219-I247 HydrophobicContact CB-CG1 3.93Å; I230-I247 HydrophobicContact CD1-CG2 3.98Å; I230-I247 HydrophobicContact CG1-CG2 4.18Å; I230-I247 HydrophobicContact CG2-CG2 3.61Å; M237-I247 HydrophobicContact CE-CD1 4.19Å; M237-I247 HydrophobicContact CE-CG2 3.99Å; M237-I247 HydrophobicContact SD-CB 4.06Å; M237-I247 HydrophobicContact SD-CD1 4.37Å; M237-I247 HydrophobicContact SD-CG2 3.73Å; I247-G249 PolarHBondContact O-N 3.45Å; I247-G249 VanDerWaalsContact O-N 3.17Å; I247-L250 HydrophobicContact CG2-CD1 4.35Å; I247-L250 VanDerWaalsContact O-CB 3.3Å; I247-L250 WeakPolarHBondContact O-CB 3.23Å; I247-L250 WeakPolarHBondContact O-CG 3.22Å; I247-L250 PolarHBondContact O-N 3.24Å
248	V	98.1	Very high	95.8	Very high	14 Å²	14	70 Å²	70	9%	0.085	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.8	178.2	-179.4	0	0	0	0	111.5	L233 F234 F240 P245 G246 L250 L251	L233-V248 HydrophobicContact CD1-CG2 4.11Å; F234-V248 HydrophobicContact CD1-CG2 3.95Å; F234-V248 HydrophobicContact CE1-CG1 3.84Å; F234-V248 HydrophobicContact CE1-CG2 4.05Å; F240-V248 HydrophobicContact CD2-CB 4.29Å; F240-V248 HydrophobicContact CD2-CG1 3.99Å; P245-V248 PolarHBondContact O-N 2.94Å; G246-V248 PolarHBondContact O-N 3.04Å; V248-L250 PolarHBondContact O-N 3.33Å; V248-L251 WeakPolarHBondContact O-CG 3.47Å; V248-L251 PolarHBondContact O-N 2.89Å
249	G	97.8	Very high	95.2	Very high	5 Å²	5	71.3 Å²	71.3	5%	0.052	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-64.2	-20.4	176.8	0	0	0	0	0	114.6	P245 G246 I247 L251 T252 S253	P245-G249 PolarHBondContact O-N 3.39Å; G246-G249 PolarHBondContact O-N 3.3Å; I247-G249 PolarHBondContact O-N 3.45Å; I247-G249 VanDerWaalsContact O-N 3.17Å; G249-L251 PolarHBondContact O-N 3.21Å; G249-T252 PolarHBondContact O-N 3.49Å; G249-T252 VanDerWaalsContact O-N 3.15Å; G249-S253 PolarHBondContact O-N 2.97Å; G249-S253 VanDerWaalsContact O-N 3.12Å
250	L	97.9	Very high	94.6	Very high	1 Å²	1	70 Å²	70	1%	0.005	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-58.9	-28.7	177.3	-71	-179.5	0	0	0	112.7	L209 L216 A219 E220 V223 I230 I247 V248 T252 S253 L256 I262	L209-L250 HydrophobicContact CD1-CD1 3.74Å; L216-L250 HydrophobicContact CD1-CD2 4.21Å; A219-L250 HydrophobicContact CB-CD1 3.88Å; A219-L250 HydrophobicContact CB-CD2 4.02Å; A219-L250 HydrophobicContact CB-CG 3.93Å; E220-L250 HydrophobicContact CG-CD2 4.02Å; V223-L250 HydrophobicContact CG2-CD1 3.92Å; V223-L250 HydrophobicContact CG2-CD2 4Å; I230-L250 HydrophobicContact CD1-CB 3.99Å; I230-L250 HydrophobicContact CD1-CD1 3.95Å; I230-L250 HydrophobicContact CG1-CD1 4.3Å; I247-L250 HydrophobicContact CG2-CD1 4.35Å; I247-L250 VanDerWaalsContact O-CB 3.3Å; I247-L250 WeakPolarHBondContact O-CB 3.23Å; I247-L250 WeakPolarHBondContact O-CG 3.22Å; I247-L250 PolarHBondContact O-N 3.24Å; V248-L250 PolarHBondContact O-N 3.33Å; L250-T252 PolarHBondContact O-N 3.02Å; L250-S253 PolarHBondContact O-N 3.43Å; L250-L256 HydrophobicContact CD2-CD2 3.77Å; L250-I262 HydrophobicContact CB-CG1 4.45Å; L250-I262 HydrophobicContact CD1-CD1 4.48Å
251	L	97.3	Very high	94.3	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.068	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-57.6	-25.4	179.2	-61.7	-168.9	0	0	0	113.4	I230 L233 V248 G249 Y264 A281 A284 H285	I230-L251 HydrophobicContact CD1-CD2 4.35Å; L233-L251 HydrophobicContact CD2-CD1 3.75Å; L233-L251 HydrophobicContact CD2-CG 4.49Å; V248-L251 WeakPolarHBondContact O-CG 3.47Å; V248-L251 PolarHBondContact O-N 2.89Å; G249-L251 PolarHBondContact O-N 3.21Å; L251-Y264 HydrophobicContact CD2-CD1 3.3Å; L251-Y264 HydrophobicContact CD2-CD2 4.41Å; L251-Y264 HydrophobicContact CD2-CE1 3.56Å; L251-Y264 HydrophobicContact CD2-CG 3.77Å; L251-A281 HydrophobicContact CD1-CB 4.21Å; L251-A284 HydrophobicContact CB-CB 4.31Å; L251-A284 HydrophobicContact CD1-CB 4.31Å; L251-H285 HydrophobicContact CB-CB 4.13Å; L251-H285 HydrophobicContact CD2-CB 4.32Å
252	T	95.8	Very high	94.3	Very high	103 Å²	103	62.5 Å²	62.5	63%	0.632	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-134.5	19.3	-177.2	63.8	0	0	0	0	112.6	G249 L250 A284	G249-T252 PolarHBondContact O-N 3.49Å; G249-T252 VanDerWaalsContact O-N 3.15Å; L250-T252 PolarHBondContact O-N 3.02Å; T252-A284 HydrophobicContact CG2-CB 3.89Å
253	S	95.8	Very high	94.4	Very high	21 Å²	21	56.6 Å²	56.6	15%	0.147	32%	0.315	C	S	.	.			trans	-70.4	134.8	179.7	172.1	0	0	0	0	110.8	E220 G249 L250 R255	E220-S253 PolarHBondContact OE1-OG 3.16Å; G249-S253 PolarHBondContact O-N 2.97Å; G249-S253 VanDerWaalsContact O-N 3.12Å; L250-S253 PolarHBondContact O-N 3.43Å; S253-R255 VanDerWaalsContact C-N 3.33Å; S253-R255 PolarHBondContact OG-N 2.97Å
254	D	93.6	Very high	94.5	Very high	149 Å²	149	47.4 Å²	47.4	80%	0.797	28%	0.28	S	S	*	.	S	Bend	trans	-90.8	2.6	175.2	63.8	-18	0	0	0	113
255	R	94.9	Very high	94.6	Very high	163 Å²	163	44.6 Å²	44.6	62%	0.615	27%	0.265	S	S	*	.			trans	-103.4	2.9	-178.1	-66.8	174.4	171.1	-161.3	2	113.8	E220 S253	E220-R255 HydrophobicContact CG-CB 4.38Å; E220-R255 WeakPolarHBondContact OE1-CD 3.5Å; E220-R255 WeakPolarHBondContact OE2-CD 3.25Å; E220-R255 IonicContact OE2-NH1 2.86Å; S253-R255 VanDerWaalsContact C-N 3.33Å; S253-R255 PolarHBondContact OG-N 2.97Å
256	L	94.3	Very high	94.6	Very high	31 Å²	31	43.5 Å²	43.5	16%	0.162	26%	0.258	C	S	.	.	S	Bend	trans	-72.6	148.3	176.8	-51.7	-170.2	0	0	0	110.5	E220 V223 L250 I262	E220-L256 HydrophobicContact CG-CD2 4.34Å; V223-L256 HydrophobicContact CB-CD2 4.13Å; V223-L256 HydrophobicContact CG1-CD2 4Å; V223-L256 HydrophobicContact CG2-CD2 4.36Å; L250-L256 HydrophobicContact CD2-CD2 3.77Å; L256-I262 HydrophobicContact CD1-CB 4.26Å; L256-I262 HydrophobicContact CD1-CG2 3.96Å
257	P	91.6	Very high	94.6	Very high	41 Å²	41	43.5 Å²	43.5	27%	0.266	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-55.7	138.6	177.4	-23.9	33.5	0	0	0	111.9	Q224 G259 H260	Q224-P257 HydrophobicContact CG-CG 4.41Å; P257-G259 PolarHBondContact O-N 3.44Å; P257-H260 HydrophobicContact CB-CB 4.21Å; P257-H260 VanDerWaalsContact O-CB 3.27Å; P257-H260 WeakPolarHBondContact O-CB 3.34Å; P257-H260 PolarHBondContact O-N 2.92Å
258	P	87.7	Confident	94.6	Very high	139 Å²	139	43.3 Å²	43.3	90%	0.903	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	133.4	177.2	-26	34.3	0	0	0	112.1	H260	P258-H260 PolarHBondContact O-N 3.5Å
259	G	82.6	Confident	94.4	Very high	89 Å²	89	43 Å²	43	92%	0.918	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	0.2	-178.7	0	0	0	0	0	114.9	P257	P257-G259 PolarHBondContact O-N 3.44Å
260	H	83.3	Confident	94	Very high	75 Å²	75	44.8 Å²	44.8	35%	0.347	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-83.2	124.3	170.6	-124.3	83	0	0	0	110.2	T228 P257 P258	T228-H260 WeakPolarHBondContact CG2-NE2 3.43Å; P257-H260 HydrophobicContact CB-CB 4.21Å; P257-H260 VanDerWaalsContact O-CB 3.27Å; P257-H260 WeakPolarHBondContact O-CB 3.34Å; P257-H260 PolarHBondContact O-N 2.92Å; P258-H260 PolarHBondContact O-N 3.5Å
261	C	89.1	Confident	93.6	Very high	44 Å²	44	47.2 Å²	47.2	30%	0.297	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-100.2	121.3	170.6	-170.7	0	0	0	0	108	F263	C261-F263 HydrophobicContact CB-CE2 4.04Å; C261-F263 HydrophobicContact CB-CZ 4.23Å
262	I	96.9	Very high	93.1	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-85.9	116.3	173.3	-173.3	68.5	0	0	0	108.6	V223 I230 L250 L256 H285	V223-I262 HydrophobicContact CG2-CD1 3.96Å; I230-I262 HydrophobicContact CD1-CG1 3.95Å; I230-I262 HydrophobicContact CG1-CD1 4.15Å; I230-I262 HydrophobicContact CG1-CG1 4Å; L250-I262 HydrophobicContact CB-CG1 4.45Å; L250-I262 HydrophobicContact CD1-CD1 4.48Å; L256-I262 HydrophobicContact CD1-CB 4.26Å; L256-I262 HydrophobicContact CD1-CG2 3.96Å; I262-H285 PolarHBondContact O-CD2 2.76Å; I262-H285 PolarHBondContact O-NE2 2.75Å
263	F	98.8	Very high	93	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.066	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	158.5	173.9	-65.6	-86.2	0	0	0	110.2	T228 F229 I230 C261 G288 V290 H360 Q363 L364	T228-F263 PolarHBondContact O-N 3.29Å; F229-F263 CarbonylContact C-O 3.57Å; F229-F263 VanDerWaalsContact CA-O 3.31Å; F229-F263 WeakPolarHBondContact CA-O 3.39Å; F229-F263 VanDerWaalsContact CD2-C 3.43Å; F229-F263 HydrophobicContact CD2-CB 3.59Å; F229-F263 WeakPolarHBondContact CD2-O 3.37Å; F229-F263 HydrophobicContact CE2-CB 4.03Å; I230-F263 PolarHBondContact N-O 3.3Å; C261-F263 HydrophobicContact CB-CE2 4.04Å; C261-F263 HydrophobicContact CB-CZ 4.23Å; F263-G288 CarbonylContact C-O 3.58Å; F263-G288 WeakPolarHBondContact CA-O 3.23Å; F263-V290 HydrophobicContact CB-CG2 4.06Å; F263-V290 HydrophobicContact CD1-CG2 3.95Å; F263-V290 HydrophobicContact CG-CG2 4.38Å; F263-H360 HydrophobicContact CD1-CB 4.4Å; F263-H360 HydrophobicContact CE1-CB 4.28Å; F263-Q363 HydrophobicContact CE1-CB 4.06Å; F263-Q363 HydrophobicContact CE2-CB 4.45Å; F263-Q363 HydrophobicContact CZ-CB 3.59Å; F263-L364 HydrophobicContact CB-CB 4.33Å; F263-L364 HydrophobicContact CB-CD1 4.03Å; F263-L364 HydrophobicContact CD1-CB 4.37Å; F263-L364 HydrophobicContact CD2-CB 4Å; F263-L364 HydrophobicContact CD2-CD1 4.1Å; F263-L364 HydrophobicContact CE2-CB 4.41Å; F263-L364 HydrophobicContact CG-CB 3.98Å; F263-L364 HydrophobicContact CG-CD1 4.3Å
264	Y	98.8	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	132.6	177.2	60.6	-84.4	0	0	0	111.9	F229 I230 L233 L251 M266 A281 H285 G288 L289 V290	F229-Y264 VanDerWaalsContact CE2-C 3.45Å; I230-Y264 CarbonylContact O-C 3.37Å; I230-Y264 WeakPolarHBondContact O-CA 3.34Å; L233-Y264 HydrophobicContact CB-CD2 4.17Å; L233-Y264 HydrophobicContact CD2-CD2 3.68Å; L233-Y264 HydrophobicContact CD2-CE2 4.03Å; L233-Y264 HydrophobicContact CD2-CG 4.32Å; L233-Y264 HydrophobicContact CG-CD2 4.48Å; L251-Y264 HydrophobicContact CD2-CD1 3.3Å; L251-Y264 HydrophobicContact CD2-CD2 4.41Å; L251-Y264 HydrophobicContact CD2-CE1 3.56Å; L251-Y264 HydrophobicContact CD2-CG 3.77Å; Y264-M266 HydrophobicContact CD2-CG 3.67Å; Y264-M266 HydrophobicContact CD2-SD 3.75Å; Y264-M266 HydrophobicContact CE2-CG 3.58Å; Y264-M266 HydrophobicContact CE2-SD 3.82Å; Y264-A281 HydrophobicContact CE2-CB 3.85Å; Y264-A281 VanDerWaalsContact OH-C 3.25Å; Y264-A281 PolarHBondContact OH-O 2.89Å; Y264-H285 HydrophobicContact CE1-CB 3.91Å; Y264-H285 AromaticContact CE1-CD2 3.77Å; Y264-H285 VanDerWaalsContact CE1-O 3.29Å; Y264-H285 WeakPolarHBondContact CE1-O 3.28Å; Y264-H285 PolarHBondContact OH-O 2.75Å; Y264-G288 WeakPolarHBondContact CD1-O 3.42Å; Y264-G288 VanDerWaalsContact CE1-C 3.42Å; Y264-G288 PolarHBondContact N-O 2.55Å; Y264-L289 HydrophobicContact CE1-CB 4.22Å; Y264-L289 HydrophobicContact CE2-CB 3.94Å; Y264-L289 HydrophobicContact CE2-CD1 3.9Å; Y264-L289 HydrophobicContact CE2-CG 3.74Å; Y264-L289 WeakPolarHBondContact OH-CB 3.47Å; Y264-V290 PolarHBondContact O-N 3.28Å
265	G	98.8	Very high	93.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.5	176.1	0	0	0	0	0	111	F229 I230 H232 L233 V290	F229-G265 VanDerWaalsContact CE2-N 3.26Å; I230-G265 PolarHBondContact O-N 2.95Å; H232-G265 CarbonylContact C-O 3.54Å; H232-G265 VanDerWaalsContact CA-O 3.3Å; H232-G265 WeakPolarHBondContact CA-O 3.45Å; L233-G265 PolarHBondContact N-O 3.36Å; G265-V290 CarbonylContact C-O 3.42Å; G265-V290 VanDerWaalsContact CA-O 3.26Å; G265-V290 WeakPolarHBondContact CA-O 3.36Å
266	M	98.3	Very high	93.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.9	172.9	-69	-59.5	-61.4	0	0	110.5	L233 F234 Y264 A268 T273 L278 A281 L289 V290 L291 V292	L233-M266 HydrophobicContact CB-SD 3.7Å; L233-M266 HydrophobicContact CD2-SD 3.8Å; L233-M266 HydrophobicContact CG-SD 4.3Å; F234-M266 HydrophobicContact CD2-CE 4.14Å; F234-M266 HydrophobicContact CE2-CE 3.98Å; F234-M266 HydrophobicContact CE2-SD 4.45Å; Y264-M266 HydrophobicContact CD2-CG 3.67Å; Y264-M266 HydrophobicContact CD2-SD 3.75Å; Y264-M266 HydrophobicContact CE2-CG 3.58Å; Y264-M266 HydrophobicContact CE2-SD 3.82Å; M266-A268 PolarHBondContact O-N 3.01Å; M266-T273 HydrophobicContact CE-CG2 3.67Å; M266-L278 HydrophobicContact CB-CD2 4.37Å; M266-L278 HydrophobicContact CE-CD2 3.37Å; M266-L278 HydrophobicContact CE-CG 4.29Å; M266-A281 HydrophobicContact CE-CB 4.31Å; M266-A281 HydrophobicContact SD-CB 4.21Å; M266-L289 HydrophobicContact CB-CD2 4.33Å; M266-L289 HydrophobicContact CB-CG 4.4Å; M266-L289 HydrophobicContact CG-CD1 3.97Å; M266-L289 HydrophobicContact CG-CD2 4.27Å; M266-L289 HydrophobicContact CG-CG 3.81Å; M266-V290 PolarHBondContact N-O 3.39Å; M266-L291 HydrophobicContact CB-CD2 4.38Å; M266-V292 PolarHBondContact O-N 3.25Å; M266-V292 VanDerWaalsContact O-N 3.15Å
267	I	98	Very high	93.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	107.5	169.7	-54.7	165.9	0	0	0	107.7	H232 D269 H272 T273 V292 D294	H232-I267 HydrophobicContact CB-CD1 3.7Å; H232-I267 HydrophobicContact CB-CG1 4.06Å; I267-D269 HydrophobicContact CG2-CB 4.3Å; I267-H272 HydrophobicContact CB-CB 4.06Å; I267-H272 HydrophobicContact CD1-CB 4.5Å; I267-H272 HydrophobicContact CG2-CB 3.87Å; I267-T273 WeakPolarHBondContact O-CB 3.49Å; I267-T273 PolarHBondContact O-OG1 3.16Å; I267-V292 HydrophobicContact CG1-CG2 4.02Å; I267-D294 HydrophobicContact CD1-CB 3.48Å; I267-D294 VanDerWaalsContact CD1-CB 3.48Å; I267-D294 HydrophobicContact CG1-CB 3.81Å
268	A	97.2	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	23%	0.231	C	C	.	.			trans	-107.5	49.3	-174.9	0	0	0	0	0	112.4	M266 L278 L291 C338 H341 F342	M266-A268 PolarHBondContact O-N 3.01Å; A268-L278 HydrophobicContact CB-CD1 4.31Å; A268-L278 HydrophobicContact CB-CD2 4.09Å; A268-L291 HydrophobicContact CB-CD2 3.75Å; A268-C338 HydrophobicContact CB-CB 4.37Å; A268-C338 WeakPolarHBondContact O-CA 3.38Å; A268-H341 WeakPolarHBondContact O-CB 3.24Å; A268-F342 HydrophobicContact CB-CB 3.84Å
269	D	94	Very high	94.3	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-92.1	-0.5	-176.3	65.5	-3.3	0	0	0	114.8	I267 I271 H272 S331 A333	I267-D269 HydrophobicContact CG2-CB 4.3Å; D269-I271 VanDerWaalsContact C-N 3.29Å; D269-I271 WeakPolarHBondContact OD1-CA 3.23Å; D269-I271 PolarHBondContact OD1-N 3.06Å; D269-H272 PolarHBondContact OD1-N 3.46Å; D269-H272 IonicContact OD1-ND1 2.73Å; D269-H272 IonicContact OD2-CE1 2.88Å; D269-H272 IonicContact OD2-CG 3.45Å; D269-H272 IonicContact OD2-ND1 3.12Å; D269-H272 PolarHBondContact OD2-ND1 3.22Å; D269-S331 WeakPolarHBondContact CB-OG 3.49Å; D269-S331 WeakPolarHBondContact OD2-CB 3.43Å; D269-S331 PolarHBondContact OD2-OG 3.23Å; D269-A333 HydrophobicContact CB-CB 3.48Å; D269-A333 VanDerWaalsContact CB-CB 3.48Å
270	G	89.3	Confident	95	Very high	41 Å²	41	32.3 Å²	32.3	42%	0.423	19%	0.185	S	C	.	.	S	Bend	trans	81.9	1.6	-175.6	0	0	0	0	0	114.6
271	I	89.3	Confident	95.7	Very high	53 Å²	53	28.7 Å²	28.7	27%	0.272	17%	0.168	S	C	.	.	S	Bend	trans	-120.3	-57.5	-175.6	-64.7	157.2	0	0	0	110.8	D269 L318 I319 L328	D269-I271 VanDerWaalsContact C-N 3.29Å; D269-I271 WeakPolarHBondContact OD1-CA 3.23Å; D269-I271 PolarHBondContact OD1-N 3.06Å; I271-L318 HydrophobicContact CD1-CB 3.58Å; I271-L318 WeakPolarHBondContact CD1-O 3.27Å; I271-I319 HydrophobicContact CD1-CG1 3.94Å; I271-I319 HydrophobicContact CG1-CG1 4.35Å; I271-I319 HydrophobicContact CG2-CD1 4.39Å; I271-I319 HydrophobicContact CG2-CG1 4.02Å; I271-I319 HydrophobicContact CG2-CG2 4.12Å; I271-L328 HydrophobicContact CG2-CD2 4.49Å
272	H	88	Confident	96.1	Very high	27 Å²	27	28.3 Å²	28.3	13%	0.125	16%	0.162	C	C	.	.	S	Bend	trans	-66.3	-42.6	-175.1	-77.5	76.1	0	0	0	111.7	I267 D269 G330	I267-H272 HydrophobicContact CB-CB 4.06Å; I267-H272 HydrophobicContact CD1-CB 4.5Å; I267-H272 HydrophobicContact CG2-CB 3.87Å; D269-H272 PolarHBondContact OD1-N 3.46Å; D269-H272 IonicContact OD1-ND1 2.73Å; D269-H272 IonicContact OD2-CE1 2.88Å; D269-H272 IonicContact OD2-CG 3.45Å; D269-H272 IonicContact OD2-ND1 3.12Å; D269-H272 PolarHBondContact OD2-ND1 3.22Å; H272-G330 PolarHBondContact CE1-O 2.88Å; H272-G330 PolarHBondContact NE2-O 3.28Å
273	T	92.7	Very high	96.2	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.025	19%	0.192	C	C	.	.	S	Bend	trans	-117.4	121.7	-176	-48.5	0	0	0	0	110.6	F234 M266 I267 A277 L278	F234-T273 HydrophobicContact CD2-CG2 4.24Å; M266-T273 HydrophobicContact CE-CG2 3.67Å; I267-T273 WeakPolarHBondContact O-CB 3.49Å; I267-T273 PolarHBondContact O-OG1 3.16Å; T273-A277 HydrophobicContact CG2-CB 3.81Å; T273-L278 HydrophobicContact CG2-CD2 3.91Å; T273-L278 HydrophobicContact CG2-CG 3.72Å
274	N	96.1	Very high	96.1	Very high	106 Å²	106	37.7 Å²	37.7	57%	0.567	21%	0.206	S	C	*	.			trans	-59.1	138.4	172.2	-173	-75.8	0	0	0	110.7	A276 A277 L278	N274-A276 PolarHBondContact O-N 3.34Å; N274-A276 VanDerWaalsContact OD1-CB 3.31Å; N274-A276 WeakPolarHBondContact OD1-CB 3.32Å; N274-A276 PolarHBondContact OD1-N 2.85Å; N274-A277 WeakPolarHBondContact O-CA 3.07Å; N274-A277 WeakPolarHBondContact O-CB 3.28Å; N274-A277 PolarHBondContact O-N 2.57Å; N274-L278 PolarHBondContact O-N 3.42Å; N274-L278 VanDerWaalsContact O-N 3.12Å
275	P	97.3	Very high	96.1	Very high	51 Å²	51	39 Å²	39	33%	0.331	21%	0.211	S	C	.	.	H	α-helix	trans	-51.5	-32.2	177.3	-32	37.5	0	0	0	115.2	R279 A345	P275-R279 WeakPolarHBondContact O-CG 3.36Å; P275-R279 PolarHBondContact O-N 2.84Å; P275-R279 VanDerWaalsContact O-N 3.11Å; P275-R279 PolarHBondContact O-NH1 3.41Å; P275-A345 HydrophobicContact CB-CB 3.87Å; P275-A345 HydrophobicContact CG-CB 4.41Å
276	A	97.8	Very high	96	Very high	37 Å²	37	41.7 Å²	41.7	31%	0.306	23%	0.229	S	C	.	.	H	α-helix	trans	-67.4	-38.2	175	0	0	0	0	0	112.6	N274 R279 I280	N274-A276 PolarHBondContact O-N 3.34Å; N274-A276 VanDerWaalsContact OD1-CB 3.31Å; N274-A276 WeakPolarHBondContact OD1-CB 3.32Å; N274-A276 PolarHBondContact OD1-N 2.85Å; A276-R279 VanDerWaalsContact CA-NH2 3.34Å; A276-R279 PolarHBondContact O-N 2.79Å; A276-I280 VanDerWaalsContact O-CG1 3.27Å; A276-I280 WeakPolarHBondContact O-CG1 3.19Å; A276-I280 PolarHBondContact O-N 3.25Å
277	A	97.6	Very high	95.9	Very high	22 Å²	22	50.4 Å²	50.4	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-40.3	176.2	0	0	0	0	0	111.4	F234 T273 N274 R279 I280 A281	F234-A277 HydrophobicContact CD2-CB 4.13Å; F234-A277 HydrophobicContact CE2-CB 3.8Å; F234-A277 HydrophobicContact CZ-CB 4.21Å; T273-A277 HydrophobicContact CG2-CB 3.81Å; N274-A277 WeakPolarHBondContact O-CA 3.07Å; N274-A277 WeakPolarHBondContact O-CB 3.28Å; N274-A277 PolarHBondContact O-N 2.57Å; A277-R279 VanDerWaalsContact C-N 3.31Å; A277-R279 PolarHBondContact O-N 2.83Å; A277-I280 PolarHBondContact O-N 2.81Å; A277-A281 PolarHBondContact O-N 2.95Å
278	L	98	Very high	95.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-46.8	171	-71.4	169.1	0	0	0	111.4	M266 A268 T273 N274 H282 F342 A345 T346	M266-L278 HydrophobicContact CB-CD2 4.37Å; M266-L278 HydrophobicContact CE-CD2 3.37Å; M266-L278 HydrophobicContact CE-CG 4.29Å; A268-L278 HydrophobicContact CB-CD1 4.31Å; A268-L278 HydrophobicContact CB-CD2 4.09Å; T273-L278 HydrophobicContact CG2-CD2 3.91Å; T273-L278 HydrophobicContact CG2-CG 3.72Å; N274-L278 PolarHBondContact O-N 3.42Å; N274-L278 VanDerWaalsContact O-N 3.12Å; L278-H282 WeakPolarHBondContact O-CB 3.39Å; L278-H282 PolarHBondContact O-N 3.2Å; L278-F342 HydrophobicContact CD2-CD2 4.18Å; L278-A345 HydrophobicContact CD1-CB 3.74Å; L278-T346 HydrophobicContact CB-CG2 4.04Å
279	R	98.2	Very high	95.9	Very high	78 Å²	78	50.4 Å²	50.4	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-42.2	176.9	-77.8	-174.4	-56.6	-92.1	5	113.3	P275 A276 A277 R283 A345 T346	P275-R279 WeakPolarHBondContact O-CG 3.36Å; P275-R279 PolarHBondContact O-N 2.84Å; P275-R279 VanDerWaalsContact O-N 3.11Å; P275-R279 PolarHBondContact O-NH1 3.41Å; A276-R279 VanDerWaalsContact CA-NH2 3.34Å; A276-R279 PolarHBondContact O-N 2.79Å; A277-R279 VanDerWaalsContact C-N 3.31Å; A277-R279 PolarHBondContact O-N 2.83Å; R279-R283 VanDerWaalsContact O-CB 3.29Å; R279-R283 WeakPolarHBondContact O-CB 3.48Å; R279-R283 WeakPolarHBondContact O-CD 3.45Å; R279-R283 WeakPolarHBondContact O-CG 3.49Å; R279-R283 PolarHBondContact O-N 2.95Å; R279-A345 WeakPolarHBondContact CD-O 3.43Å; R279-A345 WeakPolarHBondContact CG-O 3.45Å; R279-A345 PolarHBondContact NH1-O 3.14Å; R279-T346 HydrophobicContact CG-CG2 4.22Å
280	I	98	Very high	96.2	Very high	108 Å²	108	50 Å²	50	55%	0.554	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-52.3	179.3	-72.6	164.1	0	0	0	109.5	A276 A277 R283 A284	A276-I280 VanDerWaalsContact O-CG1 3.27Å; A276-I280 WeakPolarHBondContact O-CG1 3.19Å; A276-I280 PolarHBondContact O-N 3.25Å; A277-I280 PolarHBondContact O-N 2.81Å; I280-R283 PolarHBondContact O-N 3.34Å; I280-A284 WeakPolarHBondContact O-CB 3.39Å; I280-A284 PolarHBondContact O-N 3.48Å
281	A	98.1	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-52.7	-179.5	0	0	0	0	0	111.4	L233 F234 L251 Y264 M266 A277 R283 A284 H285	L233-A281 HydrophobicContact CD2-CB 3.78Å; F234-A281 HydrophobicContact CE2-CB 4.04Å; F234-A281 HydrophobicContact CZ-CB 4.18Å; L251-A281 HydrophobicContact CD1-CB 4.21Å; Y264-A281 HydrophobicContact CE2-CB 3.85Å; Y264-A281 VanDerWaalsContact OH-C 3.25Å; Y264-A281 PolarHBondContact OH-O 2.89Å; M266-A281 HydrophobicContact CE-CB 4.31Å; M266-A281 HydrophobicContact SD-CB 4.21Å; A277-A281 PolarHBondContact O-N 2.95Å; A281-R283 VanDerWaalsContact C-N 3.32Å; A281-R283 PolarHBondContact O-N 2.99Å; A281-A284 PolarHBondContact O-N 2.91Å; A281-A284 VanDerWaalsContact O-N 3.13Å; A281-H285 PolarHBondContact O-N 2.68Å
282	H	98.3	Very high	97.1	Very high	35 Å²	35	45.5 Å²	45.5	16%	0.162	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-43.1	178.3	169.5	-80.8	0	0	0	112.6	L278 A284 P286 L289 F342 T346	L278-H282 WeakPolarHBondContact O-CB 3.39Å; L278-H282 PolarHBondContact O-N 3.2Å; H282-A284 VanDerWaalsContact C-N 3.33Å; H282-P286 VanDerWaalsContact O-CA 3.26Å; H282-P286 WeakPolarHBondContact O-CA 3.29Å; H282-P286 VanDerWaalsContact O-CB 3.29Å; H282-P286 WeakPolarHBondContact O-CB 3.42Å; H282-P286 WeakPolarHBondContact O-CD 3.46Å; H282-P286 VanDerWaalsContact O-N 3.07Å; H282-L289 HydrophobicContact CB-CD1 3.96Å; H282-F342 HydrophobicContact CB-CE2 4.33Å; H282-F342 HydrophobicContact CB-CZ 4.14Å; H282-F342 AromaticContact CD2-CZ 3.63Å; H282-T346 HydrophobicContact CB-CG2 4.34Å
283	R	98.1	Very high	97.6	Very high	175 Å²	175	44.3 Å²	44.3	66%	0.66	22%	0.222	S	C	*	.	H	α-helix	trans	-69.7	-32.5	179.9	-73.5	172.6	-176.3	155.7	-0.1	112.6	R279 I280 A281	R279-R283 VanDerWaalsContact O-CB 3.29Å; R279-R283 WeakPolarHBondContact O-CB 3.48Å; R279-R283 WeakPolarHBondContact O-CD 3.45Å; R279-R283 WeakPolarHBondContact O-CG 3.49Å; R279-R283 PolarHBondContact O-N 2.95Å; I280-R283 PolarHBondContact O-N 3.34Å; A281-R283 VanDerWaalsContact C-N 3.32Å; A281-R283 PolarHBondContact O-N 2.99Å
284	A	97.5	Very high	97.8	Very high	43 Å²	43	44.7 Å²	44.7	36%	0.355	22%	0.224	S	C	.	.	H	α-helix	trans	-69.8	-45.7	177.3	0	0	0	0	0	111.4	L251 T252 I280 A281 H282	L251-A284 HydrophobicContact CB-CB 4.31Å; L251-A284 HydrophobicContact CD1-CB 4.31Å; T252-A284 HydrophobicContact CG2-CB 3.89Å; I280-A284 WeakPolarHBondContact O-CB 3.39Å; I280-A284 PolarHBondContact O-N 3.48Å; A281-A284 PolarHBondContact O-N 2.91Å; A281-A284 VanDerWaalsContact O-N 3.13Å; H282-A284 VanDerWaalsContact C-N 3.33Å
285	H	97.6	Very high	97.8	Very high	26 Å²	26	39.7 Å²	39.7	12%	0.12	20%	0.197	C	C	.	.			trans	-148.5	69.8	-174.1	-168.6	40.6	0	0	0	114.1	L251 I262 Y264 A281 R287 G288	L251-H285 HydrophobicContact CB-CB 4.13Å; L251-H285 HydrophobicContact CD2-CB 4.32Å; I262-H285 PolarHBondContact O-CD2 2.76Å; I262-H285 PolarHBondContact O-NE2 2.75Å; Y264-H285 HydrophobicContact CE1-CB 3.91Å; Y264-H285 AromaticContact CE1-CD2 3.77Å; Y264-H285 VanDerWaalsContact CE1-O 3.29Å; Y264-H285 WeakPolarHBondContact CE1-O 3.28Å; Y264-H285 PolarHBondContact OH-O 2.75Å; A281-H285 PolarHBondContact O-N 2.68Å; H285-R287 VanDerWaalsContact C-N 3.3Å; H285-R287 PolarHBondContact O-N 3.22Å; H285-G288 WeakPolarHBondContact NE2-CA 3.4Å; H285-G288 PolarHBondContact O-N 2.96Å; H285-G288 VanDerWaalsContact O-N 3.12Å
286	P	97.3	Very high	97.7	Very high	58 Å²	58	37.3 Å²	37.3	38%	0.377	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-62.4	-34	-170	22.9	-31.8	0	0	0	113.8	H282 G288 L289 H360	H282-P286 VanDerWaalsContact O-CA 3.26Å; H282-P286 WeakPolarHBondContact O-CA 3.29Å; H282-P286 VanDerWaalsContact O-CB 3.29Å; H282-P286 WeakPolarHBondContact O-CB 3.42Å; H282-P286 WeakPolarHBondContact O-CD 3.46Å; H282-P286 VanDerWaalsContact O-N 3.07Å; P286-G288 VanDerWaalsContact C-N 3.32Å; P286-G288 PolarHBondContact O-N 2.84Å; P286-L289 PolarHBondContact O-N 2.98Å; P286-H360 PolarHBondContact O-CE1 2.84Å; P286-H360 VanDerWaalsContact O-CE1 3.3Å
287	R	95.5	Very high	97.5	Very high	182 Å²	182	35.7 Å²	35.7	69%	0.687	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-74	-19.4	-178.9	-62.4	-171.9	-62.5	174.2	2	114.1	H285	H285-R287 VanDerWaalsContact C-N 3.3Å; H285-R287 PolarHBondContact O-N 3.22Å
288	G	97.6	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-90.1	-8.2	177.4	0	0	0	0	0	113.3	F263 Y264 H285 P286 V290	F263-G288 CarbonylContact C-O 3.58Å; F263-G288 WeakPolarHBondContact CA-O 3.23Å; Y264-G288 WeakPolarHBondContact CD1-O 3.42Å; Y264-G288 VanDerWaalsContact CE1-C 3.42Å; Y264-G288 PolarHBondContact N-O 2.55Å; H285-G288 WeakPolarHBondContact NE2-CA 3.4Å; H285-G288 PolarHBondContact O-N 2.96Å; H285-G288 VanDerWaalsContact O-N 3.12Å; P286-G288 VanDerWaalsContact C-N 3.32Å; P286-G288 PolarHBondContact O-N 2.84Å; G288-V290 PolarHBondContact O-N 3.29Å
289	L	98.7	Very high	97.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119	-172.8	-165.1	150.9	0	0	0	111.2	Y264 M266 H282 P286 L291 F342 A356 H360	Y264-L289 HydrophobicContact CE1-CB 4.22Å; Y264-L289 HydrophobicContact CE2-CB 3.94Å; Y264-L289 HydrophobicContact CE2-CD1 3.9Å; Y264-L289 HydrophobicContact CE2-CG 3.74Å; Y264-L289 WeakPolarHBondContact OH-CB 3.47Å; M266-L289 HydrophobicContact CB-CD2 4.33Å; M266-L289 HydrophobicContact CB-CG 4.4Å; M266-L289 HydrophobicContact CG-CD1 3.97Å; M266-L289 HydrophobicContact CG-CD2 4.27Å; M266-L289 HydrophobicContact CG-CG 3.81Å; H282-L289 HydrophobicContact CB-CD1 3.96Å; P286-L289 PolarHBondContact O-N 2.98Å; L289-L291 HydrophobicContact CD2-CD2 3.96Å; L289-L291 HydrophobicContact CD2-CG 3.97Å; L289-F342 HydrophobicContact CD1-CE2 3.51Å; L289-F342 HydrophobicContact CD1-CZ 3.52Å; L289-F342 HydrophobicContact CD2-CE1 4.38Å; L289-F342 HydrophobicContact CD2-CE2 4.11Å; L289-F342 HydrophobicContact CD2-CZ 3.95Å; L289-F342 HydrophobicContact CG-CZ 4.39Å; L289-A356 HydrophobicContact CD2-CB 3.62Å; L289-H360 WeakPolarHBondContact O-CB 3.37Å; L289-H360 PolarHBondContact O-ND1 3.24Å
290	V	98.9	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.5	172.5	178.2	0	0	0	0	108.3	V70 F229 F263 Y264 G265 M266 G288 V292 A356 H360 P361 L364	V70-V290 HydrophobicContact CG2-CG1 3.83Å; F229-V290 HydrophobicContact CE2-CB 4.02Å; F229-V290 HydrophobicContact CE2-CG2 4.08Å; F229-V290 HydrophobicContact CZ-CB 4.35Å; F229-V290 HydrophobicContact CZ-CG1 4.47Å; F263-V290 HydrophobicContact CB-CG2 4.06Å; F263-V290 HydrophobicContact CD1-CG2 3.95Å; F263-V290 HydrophobicContact CG-CG2 4.38Å; Y264-V290 PolarHBondContact O-N 3.28Å; G265-V290 CarbonylContact C-O 3.42Å; G265-V290 VanDerWaalsContact CA-O 3.26Å; G265-V290 WeakPolarHBondContact CA-O 3.36Å; M266-V290 PolarHBondContact N-O 3.39Å; G288-V290 PolarHBondContact O-N 3.29Å; V290-V292 HydrophobicContact CG1-CG1 4.12Å; V290-V292 PolarHBondContact O-N 2.53Å; V290-A356 WeakPolarHBondContact CA-O 3.45Å; V290-H360 HydrophobicContact CG2-CB 3.98Å; V290-P361 HydrophobicContact CG1-CB 3.75Å; V290-P361 HydrophobicContact CG1-CG 4.16Å; V290-L364 HydrophobicContact CG2-CD2 4.26Å
291	L	98.9	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.8	170.2	-71.6	175.2	0	0	0	108.9	M266 A268 L289 M335 I339 F342 A356 A357	M266-L291 HydrophobicContact CB-CD2 4.38Å; A268-L291 HydrophobicContact CB-CD2 3.75Å; L289-L291 HydrophobicContact CD2-CD2 3.96Å; L289-L291 HydrophobicContact CD2-CG 3.97Å; L291-M335 HydrophobicContact CB-SD 4.05Å; L291-M335 WeakPolarHBondContact O-CE 3.49Å; L291-I339 HydrophobicContact CD1-CB 4.43Å; L291-I339 HydrophobicContact CD1-CG1 3.78Å; L291-F342 HydrophobicContact CD1-CB 4.14Å; L291-F342 HydrophobicContact CD1-CD1 4.15Å; L291-F342 HydrophobicContact CD1-CG 4.25Å; L291-F342 HydrophobicContact CD2-CB 3.98Å; L291-F342 HydrophobicContact CD2-CD1 4.45Å; L291-F342 HydrophobicContact CD2-CD2 4.13Å; L291-F342 HydrophobicContact CD2-CG 3.92Å; L291-A356 HydrophobicContact CD1-CB 4.09Å; L291-A356 HydrophobicContact CG-CB 3.93Å; L291-A356 PolarHBondContact N-O 3.06Å; L291-A357 HydrophobicContact CB-CB 4.31Å; L291-A357 HydrophobicContact CD1-CB 4.28Å
292	V	98.8	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.3	174	-64.4	0	0	0	0	108.6	V70 Q71 M266 I267 V290	V70-V292 HydrophobicContact CG2-CG1 3.58Å; Q71-V292 HydrophobicContact CB-CB 3.97Å; Q71-V292 HydrophobicContact CB-CG1 4Å; Q71-V292 HydrophobicContact CB-CG2 4.45Å; M266-V292 PolarHBondContact O-N 3.25Å; M266-V292 VanDerWaalsContact O-N 3.15Å; I267-V292 HydrophobicContact CG1-CG2 4.02Å; V290-V292 HydrophobicContact CG1-CG1 4.12Å; V290-V292 PolarHBondContact O-N 2.53Å
293	T	98.4	Very high	95.5	Very high	3 Å²	3	38 Å²	38	2%	0.018	21%	0.211	C	C	.	.			trans	-83.3	-35.9	173.8	62.7	0	0	0	0	111.4	D69 A295 S331 M335	D69-T293 PolarHBondContact OD1-N 3.22Å; D69-T293 VanDerWaalsContact OD2-CB 3.28Å; D69-T293 WeakPolarHBondContact OD2-CB 3.47Å; D69-T293 WeakPolarHBondContact OD2-CG2 3.48Å; D69-T293 PolarHBondContact OD2-OG1 2.76Å; T293-A295 PolarHBondContact O-N 2.8Å; T293-A295 WeakPolarHBondContact OG1-CB 3.44Å; T293-A295 PolarHBondContact OG1-N 3.5Å; T293-S331 WeakPolarHBondContact O-CB 3.18Å; T293-M335 HydrophobicContact CG2-CB 4.08Å; T293-M335 HydrophobicContact CG2-CE 4.11Å
294	D	97.1	Very high	95.1	Very high	12 Å²	12	31 Å²	31	6%	0.064	19%	0.194	C	C	.	.			trans	50	33.3	-161.9	-164.7	29.9	0	0	0	111.1	Q71 N73 H232 I267 V296 G330 S331	Q71-D294 HydrophobicContact CG-CB 4.34Å; Q71-D294 WeakPolarHBondContact O-CA 3.3Å; Q71-D294 PolarHBondContact O-N 3.35Å; N73-D294 PolarHBondContact ND2-O 2.94Å; N73-D294 PolarHBondContact ND2-OD1 3.37Å; H232-D294 IonicContact CD2-OD2 3.55Å; I267-D294 HydrophobicContact CD1-CB 3.48Å; I267-D294 VanDerWaalsContact CD1-CB 3.48Å; I267-D294 HydrophobicContact CG1-CB 3.81Å; D294-V296 PolarHBondContact O-N 3.31Å; D294-G330 CarbonylContact O-C 3.52Å; D294-G330 VanDerWaalsContact O-CA 3.25Å; D294-G330 WeakPolarHBondContact O-CA 3.45Å; D294-G330 WeakPolarHBondContact OD2-CA 3.28Å; D294-S331 PolarHBondContact O-N 2.81Å
295	A	96.5	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-66.6	137.4	-169.4	0	0	0	0	0	111.4	M72 N73 G74 T293 L299 S331	M72-A295 HydrophobicContact CG-CB 3.97Å; N73-A295 WeakPolarHBondContact CA-O 3.45Å; N73-A295 WeakPolarHBondContact CB-O 3.32Å; N73-A295 PolarHBondContact N-O 3.29Å; G74-A295 PolarHBondContact N-O 2.91Å; G74-A295 VanDerWaalsContact N-O 3.12Å; T293-A295 PolarHBondContact O-N 2.8Å; T293-A295 WeakPolarHBondContact OG1-CB 3.44Å; T293-A295 PolarHBondContact OG1-N 3.5Å; A295-L299 HydrophobicContact CB-CB 4.13Å; A295-L299 HydrophobicContact CB-CD2 3.82Å; A295-L299 HydrophobicContact CB-CG 4.45Å; A295-S331 CarbonylContact C-O 3.53Å; A295-S331 WeakPolarHBondContact CA-O 3.25Å
296	V	95	Very high	94.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.209	C	C	.	.			trans	-93.3	168.5	177	-61.5	0	0	0	0	111.2	D294 A298 L299 L308 A320 C329 S331 I332	D294-V296 PolarHBondContact O-N 3.31Å; V296-A298 HydrophobicContact CG2-CB 4Å; V296-A298 PolarHBondContact O-N 3.12Å; V296-L299 WeakPolarHBondContact O-CB 3.4Å; V296-L299 PolarHBondContact O-N 3.28Å; V296-L308 HydrophobicContact CG1-CD1 4.25Å; V296-L308 HydrophobicContact CG1-CD2 4.1Å; V296-A320 HydrophobicContact CG2-CB 4.22Å; V296-C329 VanDerWaalsContact CG1-O 3.28Å; V296-C329 WeakPolarHBondContact CG1-O 3.37Å; V296-S331 WeakPolarHBondContact CG2-O 3.27Å; V296-S331 PolarHBondContact N-O 3.22Å; V296-I332 HydrophobicContact CG2-CG2 3.86Å
297	P	94.6	Very high	93.9	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.026	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-20.7	179.3	-32.9	42.9	0	0	0	115	G75 F76 G77 V78 D79 L299 T307	G75-P297 CarbonylContact C-O 3.55Å; F76-P297 PolarHBondContact N-O 3.45Å; G77-P297 WeakPolarHBondContact CA-O 3.37Å; G77-P297 PolarHBondContact N-O 3.38Å; V78-P297 WeakPolarHBondContact O-CB 3.4Å; V78-P297 WeakPolarHBondContact O-CG 3.4Å; D79-P297 HydrophobicContact CB-CB 4.26Å; D79-P297 HydrophobicContact CB-CG 3.52Å; P297-L299 VanDerWaalsContact C-N 3.31Å; P297-L299 PolarHBondContact O-N 3.22Å; P297-T307 VanDerWaalsContact CG-O 3.22Å; P297-T307 WeakPolarHBondContact CG-O 3.46Å
298	A	93.9	Very high	93.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.5	176.2	0	0	0	0	0	115.5	V296 G300 L301 H306 V315 I332	V296-A298 HydrophobicContact CG2-CB 4Å; V296-A298 PolarHBondContact O-N 3.12Å; A298-G300 PolarHBondContact O-N 3.03Å; A298-L301 WeakPolarHBondContact O-CB 3.17Å; A298-L301 PolarHBondContact O-N 3.05Å; A298-H306 HydrophobicContact CB-CB 4.41Å; A298-V315 HydrophobicContact CB-CG2 3.5Å; A298-I332 HydrophobicContact CB-CG2 3.95Å
299	L	94.8	Very high	93.3	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	127.5	173.6	171.1	66.3	0	0	0	110.6	F76 A295 V296 P297 L301 I332 P334	F76-L299 WeakPolarHBondContact CA-O 3.27Å; F76-L299 HydrophobicContact CE2-CD2 4.3Å; F76-L299 HydrophobicContact CZ-CD2 4.36Å; F76-L299 HydrophobicContact CZ-CG 4.34Å; F76-L299 PolarHBondContact N-O 2.64Å; A295-L299 HydrophobicContact CB-CB 4.13Å; A295-L299 HydrophobicContact CB-CD2 3.82Å; A295-L299 HydrophobicContact CB-CG 4.45Å; V296-L299 WeakPolarHBondContact O-CB 3.4Å; V296-L299 PolarHBondContact O-N 3.28Å; P297-L299 VanDerWaalsContact C-N 3.31Å; P297-L299 PolarHBondContact O-N 3.22Å; L299-L301 PolarHBondContact O-N 2.77Å; L299-I332 WeakPolarHBondContact CD1-O 3.05Å; L299-P334 HydrophobicContact CD1-CB 4.18Å
300	G	90.9	Very high	92.8	Very high	58 Å²	58	32.1 Å²	32.1	60%	0.598	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	8.7	-178.6	0	0	0	0	0	114.8	A298	A298-G300 PolarHBondContact O-N 3.03Å
301	L	89.7	Confident	92.4	Very high	70 Å²	70	34.6 Å²	34.6	37%	0.366	21%	0.205	S	C	.	.			trans	-108.8	163	170.5	-53.9	-174.9	0	0	0	110.3	A298 L299 H306	A298-L301 WeakPolarHBondContact O-CB 3.17Å; A298-L301 PolarHBondContact O-N 3.05Å; L299-L301 PolarHBondContact O-N 2.77Å; L301-H306 WeakPolarHBondContact CD1-CE1 3.43Å
302	G	85.9	Confident	92	Very high	54 Å²	54	39.9 Å²	39.9	56%	0.557	23%	0.23	S	C	*	.			trans	-86.3	-174	173.9	0	0	0	0	0	112.6
303	N	89.9	Confident	91.4	Very high	105 Å²	105	40 Å²	40	56%	0.561	23%	0.23	S	C	*	.	S	Bend	trans	-51.3	142	174.7	-68.5	11.7	0	0	0	111.8	V315 G317	N303-V315 WeakPolarHBondContact CA-O 3.41Å; N303-V315 WeakPolarHBondContact CB-O 3.47Å; N303-G317 PolarHBondContact OD1-N 2.78Å
304	G	89.5	Confident	91.1	Very high	29 Å²	29	43.7 Å²	43.7	30%	0.299	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-174.6	-179.4	0	0	0	0	0	113.5	V315	G304-V315 PolarHBondContact N-O 2.8Å; G304-V315 PolarHBondContact O-N 3.19Å
305	R	89.6	Confident	90.8	Very high	163 Å²	163	43.3 Å²	43.3	62%	0.615	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.7	174.8	-71.1	-172.6	174.7	-167.7	1.1	111	E312 V313 E314	R305-E312 IonicContact NH1-OE2 3.31Å; R305-V313 CarbonylContact C-O 3.52Å; R305-V313 VanDerWaalsContact CA-O 3.29Å; R305-V313 WeakPolarHBondContact CA-O 3.39Å; R305-E314 HydrophobicContact CG-CG 4.37Å; R305-E314 IonicContact CZ-OE2 3.54Å; R305-E314 IonicContact NE-OE2 3.92Å; R305-E314 PolarHBondContact NE-OE2 2.83Å; R305-E314 IonicContact NH2-OE2 2.64Å; R305-E314 PolarHBondContact NH2-OE2 2.93Å
306	H	89.5	Confident	90.4	Very high	38 Å²	38	48.4 Å²	48.4	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	178.9	-178.6	-57.5	-78.2	0	0	0	109.5	A298 L301 V313	A298-H306 HydrophobicContact CB-CB 4.41Å; L301-H306 WeakPolarHBondContact CD1-CE1 3.43Å; H306-V313 PolarHBondContact N-O 3.45Å; H306-V313 PolarHBondContact O-N 3.04Å
307	T	89.1	Confident	90	Very high	47 Å²	47	50.2 Å²	50.2	29%	0.288	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	151.7	172.5	61.1	0	0	0	0	110.4	D79 P297 Q311	D79-T307 PolarHBondContact OD2-OG1 2.65Å; P297-T307 VanDerWaalsContact CG-O 3.22Å; P297-T307 WeakPolarHBondContact CG-O 3.46Å; T307-Q311 VanDerWaalsContact CA-O 3.31Å; T307-Q311 WeakPolarHBondContact CA-O 3.16Å
308	L	90.4	Very high	89.6	Confident	11 Å²	11	56 Å²	56	6%	0.058	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	99.6	164.1	176.8	63.9	0	0	0	107.3	N73 D79 V111 A154 V296 Q310 Q311 V313 C329	N73-L308 HydrophobicContact CB-CD1 3.53Å; D79-L308 WeakPolarHBondContact OD2-CA 3.45Å; D79-L308 PolarHBondContact OD2-N 3.18Å; V111-L308 HydrophobicContact CG1-CD1 4.33Å; V111-L308 HydrophobicContact CG2-CG 4.45Å; A154-L308 HydrophobicContact CB-CD2 4.32Å; V296-L308 HydrophobicContact CG1-CD1 4.25Å; V296-L308 HydrophobicContact CG1-CD2 4.1Å; L308-Q310 PolarHBondContact O-N 2.87Å; L308-Q310 VanDerWaalsContact O-N 3.15Å; L308-Q311 PolarHBondContact N-O 2.85Å; L308-Q311 PolarHBondContact O-N 2.88Å; L308-V313 HydrophobicContact CB-CG2 3.59Å; L308-C329 HydrophobicContact CD2-CB 4.1Å
309	G	89.9	Confident	89.3	Confident	10 Å²	10	58.1 Å²	58.1	10%	0.103	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-116.5	-167.9	0	0	0	0	0	111.2	D79	D79-G309 PolarHBondContact OD1-N 2.98Å; D79-G309 PolarHBondContact OD2-N 3.48Å
310	Q	88.6	Confident	89	Confident	64 Å²	64	57.9 Å²	57.9	30%	0.299	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	10.7	-179.7	-59.6	75.9	36.8	0	0	113.2	T112 S113 Y159 L308	T112-Q310 PolarHBondContact O-OE1 3.48Å; S113-Q310 PolarHBondContact OG-NE2 3.32Å; S113-Q310 PolarHBondContact OG-OE1 3.47Å; Y159-Q310 HydrophobicContact CE2-CB 3.94Å; Y159-Q310 HydrophobicContact CE2-CG 3.82Å; L308-Q310 PolarHBondContact O-N 2.87Å; L308-Q310 VanDerWaalsContact O-N 3.15Å
311	Q	88.8	Confident	88.9	Confident	52 Å²	52	58.4 Å²	58.4	24%	0.243	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	148.3	172.4	-64.6	-59.4	-59.3	0	0	111.8	A154 T307 L308	A154-Q311 WeakPolarHBondContact O-CG 3.23Å; T307-Q311 VanDerWaalsContact CA-O 3.31Å; T307-Q311 WeakPolarHBondContact CA-O 3.16Å; L308-Q311 PolarHBondContact N-O 2.85Å; L308-Q311 PolarHBondContact O-N 2.88Å
312	E	90.6	Very high	88.8	Confident	111 Å²	111	55.8 Å²	55.8	52%	0.519	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137	161.9	-68.1	-166.2	157.5	0	0	109.7	R305 A323	R305-E312 IonicContact NH1-OE2 3.31Å; E312-A323 HydrophobicContact CB-CB 3.72Å; E312-A323 WeakPolarHBondContact O-CB 3.01Å; E312-A323 PolarHBondContact O-N 3.1Å
313	V	87.9	Confident	88.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.1	179.2	173.9	0	0	0	0	108.8	R305 H306 L308 V315 A320 Y321 C329	R305-V313 CarbonylContact C-O 3.52Å; R305-V313 VanDerWaalsContact CA-O 3.29Å; R305-V313 WeakPolarHBondContact CA-O 3.39Å; H306-V313 PolarHBondContact N-O 3.45Å; H306-V313 PolarHBondContact O-N 3.04Å; L308-V313 HydrophobicContact CB-CG2 3.59Å; V313-V315 HydrophobicContact CG1-CG2 4.47Å; V313-A320 HydrophobicContact CG1-CB 3.9Å; V313-Y321 CarbonylContact C-O 3.58Å; V313-Y321 VanDerWaalsContact CA-O 3.31Å; V313-Y321 WeakPolarHBondContact CA-O 3.15Å; V313-C329 WeakPolarHBondContact CG1-SG 3.49Å; V313-C329 VanDerWaalsContact CG2-SG 3.54Å
314	E	91.3	Very high	88.5	Confident	81 Å²	81	53.3 Å²	53.3	38%	0.379	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.5	173.5	-167.7	166.1	142.1	0	0	109.7	R305 Y321	R305-E314 HydrophobicContact CG-CG 4.37Å; R305-E314 IonicContact CZ-OE2 3.54Å; R305-E314 IonicContact NE-OE2 3.92Å; R305-E314 PolarHBondContact NE-OE2 2.83Å; R305-E314 IonicContact NH2-OE2 2.64Å; R305-E314 PolarHBondContact NH2-OE2 2.93Å; E314-Y321 PolarHBondContact N-O 2.93Å; E314-Y321 PolarHBondContact O-N 2.8Å
315	V	90.8	Very high	88.3	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.2	179.4	177.5	0	0	0	0	109.3	A298 N303 G304 V313 I319 A320 I332	A298-V315 HydrophobicContact CB-CG2 3.5Å; N303-V315 WeakPolarHBondContact CA-O 3.41Å; N303-V315 WeakPolarHBondContact CB-O 3.47Å; G304-V315 PolarHBondContact N-O 2.8Å; G304-V315 PolarHBondContact O-N 3.19Å; V313-V315 HydrophobicContact CG1-CG2 4.47Å; V315-I319 WeakPolarHBondContact CA-O 3.48Å; V315-A320 HydrophobicContact CG2-CB 4.25Å; V315-I332 HydrophobicContact CG1-CD1 4.01Å
316	D	86.9	Confident	88.1	Confident	106 Å²	106	56.6 Å²	56.6	57%	0.567	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	105.9	174.4	-175.2	20.3	0	0	0	110	L318 I319	D316-L318 PolarHBondContact O-N 3.36Å; D316-I319 PolarHBondContact N-O 2.78Å; D316-I319 PolarHBondContact O-N 3.35Å
317	G	88.1	Confident	87.9	Confident	39 Å²	39	57.8 Å²	57.8	40%	0.402	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-113	-176.5	0	0	0	0	0	110.9	N303 I332	N303-G317 PolarHBondContact OD1-N 2.78Å; G317-I332 WeakPolarHBondContact O-CD1 3.17Å
318	L	85.5	Confident	87.8	Confident	126 Å²	126	58.6 Å²	58.6	66%	0.66	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	1.4	-179.9	-62.5	179.1	0	0	0	113.4	I271 D316 I332	I271-L318 HydrophobicContact CD1-CB 3.58Å; I271-L318 WeakPolarHBondContact CD1-O 3.27Å; D316-L318 PolarHBondContact O-N 3.36Å; L318-I332 WeakPolarHBondContact O-CG1 3.42Å
319	I	87.8	Confident	87.3	Confident	45 Å²	45	58.2 Å²	58.2	23%	0.231	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.3	-169.3	-45.7	175.8	0	0	0	110.3	I271 V315 D316 Y321 L328	I271-I319 HydrophobicContact CD1-CG1 3.94Å; I271-I319 HydrophobicContact CG1-CG1 4.35Å; I271-I319 HydrophobicContact CG2-CD1 4.39Å; I271-I319 HydrophobicContact CG2-CG1 4.02Å; I271-I319 HydrophobicContact CG2-CG2 4.12Å; V315-I319 WeakPolarHBondContact CA-O 3.48Å; D316-I319 PolarHBondContact N-O 2.78Å; D316-I319 PolarHBondContact O-N 3.35Å; I319-Y321 HydrophobicContact CB-CD2 4.49Å; I319-Y321 HydrophobicContact CB-CE2 3.69Å; I319-Y321 WeakPolarHBondContact CD1-OH 3.27Å; I319-Y321 HydrophobicContact CG2-CD1 4.38Å; I319-Y321 HydrophobicContact CG2-CD2 4.08Å; I319-Y321 HydrophobicContact CG2-CE1 3.78Å; I319-Y321 HydrophobicContact CG2-CE2 3.41Å; I319-Y321 VanDerWaalsContact CG2-CE2 3.41Å; I319-Y321 WeakPolarHBondContact CG2-OH 3.33Å; I319-L328 HydrophobicContact CG2-CD2 3.19Å
320	A	87.7	Confident	87.1	Confident	1 Å²	1	58 Å²	58	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.3	172.8	0	0	0	0	0	110.6	V296 V313 V315 L328 C329 I332	V296-A320 HydrophobicContact CG2-CB 4.22Å; V313-A320 HydrophobicContact CG1-CB 3.9Å; V315-A320 HydrophobicContact CG2-CB 4.25Å; A320-L328 WeakPolarHBondContact O-CA 3.33Å; A320-C329 WeakPolarHBondContact CB-O 3.29Å; A320-C329 PolarHBondContact O-N 3.04Å; A320-C329 VanDerWaalsContact O-N 3.07Å; A320-I332 HydrophobicContact CB-CG2 4.48Å
321	Y	89.3	Confident	87.2	Confident	69 Å²	69	55.1 Å²	55.1	27%	0.271	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.4	177.8	-56.2	-86.8	0	0	0	111.4	V313 E314 I319 A323 T327 L328	V313-Y321 CarbonylContact C-O 3.58Å; V313-Y321 VanDerWaalsContact CA-O 3.31Å; V313-Y321 WeakPolarHBondContact CA-O 3.15Å; E314-Y321 PolarHBondContact N-O 2.93Å; E314-Y321 PolarHBondContact O-N 2.8Å; I319-Y321 HydrophobicContact CB-CD2 4.49Å; I319-Y321 HydrophobicContact CB-CE2 3.69Å; I319-Y321 WeakPolarHBondContact CD1-OH 3.27Å; I319-Y321 HydrophobicContact CG2-CD1 4.38Å; I319-Y321 HydrophobicContact CG2-CD2 4.08Å; I319-Y321 HydrophobicContact CG2-CE1 3.78Å; I319-Y321 HydrophobicContact CG2-CE2 3.41Å; I319-Y321 VanDerWaalsContact CG2-CE2 3.41Å; I319-Y321 WeakPolarHBondContact CG2-OH 3.33Å; Y321-A323 PolarHBondContact O-N 3.36Å; Y321-T327 CarbonylContact C-O 3.56Å; Y321-T327 VanDerWaalsContact CA-O 3.3Å; Y321-T327 WeakPolarHBondContact CA-O 3.45Å; Y321-L328 HydrophobicContact CD1-CD2 3.87Å; Y321-L328 HydrophobicContact CE1-CD2 3.55Å; Y321-L328 HydrophobicContact CE1-CG 4.46Å
322	V	86.9	Confident	87.4	Confident	15 Å²	15	53.8 Å²	53.8	9%	0.091	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	123.5	164.5	179	0	0	0	0	108	A154 G324 T325 T327 C329	A154-V322 HydrophobicContact CB-CG2 3.78Å; V322-G324 PolarHBondContact O-N 3.46Å; V322-T325 HydrophobicContact CB-CG2 4.5Å; V322-T325 WeakPolarHBondContact CB-OG1 3.04Å; V322-T325 HydrophobicContact CG1-CG2 4.32Å; V322-T325 PolarHBondContact O-N 3.08Å; V322-T325 PolarHBondContact O-OG1 3.15Å; V322-T327 HydrophobicContact CG2-CG2 4.33Å; V322-T327 PolarHBondContact N-O 3.12Å; V322-C329 HydrophobicContact CG2-CB 3.99Å; V322-C329 PolarHBondContact N-SG 2.97Å; V322-C329 VanDerWaalsContact N-SG 3.43Å
323	A	84.2	Confident	87.6	Confident	24 Å²	24	49 Å²	49	20%	0.198	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	131.9	-171.8	0	0	0	0	0	111.4	E312 Y321 T325	E312-A323 HydrophobicContact CB-CB 3.72Å; E312-A323 WeakPolarHBondContact O-CB 3.01Å; E312-A323 PolarHBondContact O-N 3.1Å; Y321-A323 PolarHBondContact O-N 3.36Å; A323-T325 VanDerWaalsContact C-N 3.31Å
324	G	85.3	Confident	88	Confident	83 Å²	83	49.9 Å²	49.9	86%	0.856	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	6.9	-176.4	0	0	0	0	0	115.2	V322	V322-G324 PolarHBondContact O-N 3.46Å
325	T	86.5	Confident	88.4	Confident	68 Å²	68	46.1 Å²	46.1	42%	0.417	27%	0.273	S	S	.	.	S	Bend	trans	-130.8	-178.3	177.6	81.5	0	0	0	0	111.9	V322 A323 T327	V322-T325 HydrophobicContact CB-CG2 4.5Å; V322-T325 WeakPolarHBondContact CB-OG1 3.04Å; V322-T325 HydrophobicContact CG1-CG2 4.32Å; V322-T325 PolarHBondContact O-N 3.08Å; V322-T325 PolarHBondContact O-OG1 3.15Å; A323-T325 VanDerWaalsContact C-N 3.31Å; T325-T327 PolarHBondContact OG1-N 3.34Å; T325-T327 VanDerWaalsContact OG1-N 3.08Å
326	K	84.7	Confident	88.7	Confident	193 Å²	193	46.5 Å²	46.5	84%	0.839	28%	0.276	S	S	*	.			trans	-108.6	11.8	167.8	-63.3	-172.6	178.1	-175.1	0	112.7	L328	K326-L328 PolarHBondContact O-N 2.86Å
327	T	85.2	Confident	89.3	Confident	62 Å²	62	43.2 Å²	43.2	38%	0.38	26%	0.259	S	S	.	.			trans	-75.3	116.1	179.2	-59.6	0	0	0	0	108.4	Y321 V322 T325	Y321-T327 CarbonylContact C-O 3.56Å; Y321-T327 VanDerWaalsContact CA-O 3.3Å; Y321-T327 WeakPolarHBondContact CA-O 3.45Å; V322-T327 HydrophobicContact CG2-CG2 4.33Å; V322-T327 PolarHBondContact N-O 3.12Å; T325-T327 PolarHBondContact OG1-N 3.34Å; T325-T327 VanDerWaalsContact OG1-N 3.08Å
328	L	86.8	Confident	89.8	Confident	64 Å²	64	41.4 Å²	41.4	34%	0.335	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-60	144.3	172.1	-66.1	175.7	0	0	0	110.5	I271 I319 A320 Y321 K326	I271-L328 HydrophobicContact CG2-CD2 4.49Å; I319-L328 HydrophobicContact CG2-CD2 3.19Å; A320-L328 WeakPolarHBondContact O-CA 3.33Å; Y321-L328 HydrophobicContact CD1-CD2 3.87Å; Y321-L328 HydrophobicContact CE1-CD2 3.55Å; Y321-L328 HydrophobicContact CE1-CG 4.46Å; K326-L328 PolarHBondContact O-N 2.86Å
329	C	81	Confident	90.4	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.02	21%	0.209	C	C	.	.			trans	-141.8	103	176.8	58	0	0	0	0	111.5	A154 V296 L308 V313 A320 V322	A154-C329 HydrophobicContact CB-CB 3.56Å; V296-C329 VanDerWaalsContact CG1-O 3.28Å; V296-C329 WeakPolarHBondContact CG1-O 3.37Å; L308-C329 HydrophobicContact CD2-CB 4.1Å; V313-C329 WeakPolarHBondContact CG1-SG 3.49Å; V313-C329 VanDerWaalsContact CG2-SG 3.54Å; A320-C329 WeakPolarHBondContact CB-O 3.29Å; A320-C329 PolarHBondContact O-N 3.04Å; A320-C329 VanDerWaalsContact O-N 3.07Å; V322-C329 HydrophobicContact CG2-CB 3.99Å; V322-C329 PolarHBondContact N-SG 2.97Å; V322-C329 VanDerWaalsContact N-SG 3.43Å
330	G	84.7	Confident	90.9	Very high	7 Å²	7	35.7 Å²	35.7	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	52.4	-179	-177.5	0	0	0	0	0	114.6	H272 D294	H272-G330 PolarHBondContact CE1-O 2.88Å; H272-G330 PolarHBondContact NE2-O 3.28Å; D294-G330 CarbonylContact O-C 3.52Å; D294-G330 VanDerWaalsContact O-CA 3.25Å; D294-G330 WeakPolarHBondContact O-CA 3.45Å; D294-G330 WeakPolarHBondContact OD2-CA 3.28Å
331	S	91.5	Very high	91.4	Very high	2 Å²	2	39 Å²	39	1%	0.014	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-105.4	164.5	-176	-163.4	0	0	0	0	112.8	D269 T293 D294 A295 V296 A333	D269-S331 WeakPolarHBondContact CB-OG 3.49Å; D269-S331 WeakPolarHBondContact OD2-CB 3.43Å; D269-S331 PolarHBondContact OD2-OG 3.23Å; T293-S331 WeakPolarHBondContact O-CB 3.18Å; D294-S331 PolarHBondContact O-N 2.81Å; A295-S331 CarbonylContact C-O 3.53Å; A295-S331 WeakPolarHBondContact CA-O 3.25Å; V296-S331 WeakPolarHBondContact CG2-O 3.27Å; V296-S331 PolarHBondContact N-O 3.22Å; S331-A333 WeakPolarHBondContact OG-CB 3.2Å; S331-A333 PolarHBondContact OG-N 2.77Å
332	I	92.6	Very high	91.9	Very high	24 Å²	24	35.7 Å²	35.7	12%	0.123	21%	0.209	C	C	.	.			trans	-115.7	11.7	162.7	66.8	171	0	0	0	111.8	V296 A298 L299 V315 G317 L318 A320	V296-I332 HydrophobicContact CG2-CG2 3.86Å; A298-I332 HydrophobicContact CB-CG2 3.95Å; L299-I332 WeakPolarHBondContact CD1-O 3.05Å; V315-I332 HydrophobicContact CG1-CD1 4.01Å; G317-I332 WeakPolarHBondContact O-CD1 3.17Å; L318-I332 WeakPolarHBondContact O-CG1 3.42Å; A320-I332 HydrophobicContact CB-CG2 4.48Å
333	A	95.1	Very high	92.4	Very high	12 Å²	12	37 Å²	37	10%	0.099	22%	0.215	C	C	.	.			trans	-86.2	130.1	176.7	0	0	0	0	0	111.2	D269 S331 V337	D269-A333 HydrophobicContact CB-CB 3.48Å; D269-A333 VanDerWaalsContact CB-CB 3.48Å; S331-A333 WeakPolarHBondContact OG-CB 3.2Å; S331-A333 PolarHBondContact OG-N 2.77Å; A333-V337 HydrophobicContact CB-CG1 4.2Å
334	P	97.1	Very high	93.1	Very high	19 Å²	19	43.2 Å²	43.2	12%	0.123	24%	0.24	C	C	.	.			trans	-75.4	163.2	172.2	30.7	-34.4	0	0	0	112.2	H101 L299 D336 V337 C338	H101-P334 HydrophobicContact CB-CB 3.88Å; H101-P334 WeakPolarHBondContact ND1-CB 3.35Å; H101-P334 WeakPolarHBondContact ND1-CG 3.3Å; L299-P334 HydrophobicContact CD1-CB 4.18Å; P334-D336 VanDerWaalsContact C-N 3.35Å; P334-D336 WeakPolarHBondContact CG-OD1 3.42Å; P334-D336 PolarHBondContact O-N 3.27Å; P334-V337 HydrophobicContact CG-CB 4.03Å; P334-V337 HydrophobicContact CG-CG2 3.64Å; P334-V337 WeakPolarHBondContact O-CB 3.46Å; P334-V337 PolarHBondContact O-N 2.66Å; P334-C338 PolarHBondContact O-N 2.94Å
335	M	98.7	Very high	93.7	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-56.2	-42.6	-174.4	-174.9	59	76.4	0	0	113.8	F67 D69 V103 L291 T293 V337 C338 I339 A357	F67-M335 HydrophobicContact CB-CG 3.93Å; F67-M335 HydrophobicContact CD2-CG 4Å; F67-M335 HydrophobicContact CG-CG 4.17Å; D69-M335 HydrophobicContact CB-CE 3.64Å; V103-M335 HydrophobicContact CG2-CB 3.55Å; V103-M335 HydrophobicContact CG2-CG 4.14Å; L291-M335 HydrophobicContact CB-SD 4.05Å; L291-M335 WeakPolarHBondContact O-CE 3.49Å; T293-M335 HydrophobicContact CG2-CB 4.08Å; T293-M335 HydrophobicContact CG2-CE 4.11Å; M335-V337 VanDerWaalsContact C-N 3.28Å; M335-V337 PolarHBondContact O-N 2.9Å; M335-C338 WeakPolarHBondContact O-CB 3.41Å; M335-C338 PolarHBondContact O-N 3.48Å; M335-C338 VanDerWaalsContact O-N 3.1Å; M335-I339 HydrophobicContact CG-CD1 4.09Å; M335-I339 WeakPolarHBondContact O-CG1 3.3Å; M335-I339 PolarHBondContact O-N 2.96Å; M335-A357 HydrophobicContact CG-CB 4.31Å; M335-A357 HydrophobicContact SD-CB 3.93Å
336	D	98.1	Very high	94.2	Very high	14 Å²	14	37.5 Å²	37.5	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-34.1	179.4	71.6	-58.4	0	0	0	112.3	H101 P334 R340 V391	H101-D336 WeakPolarHBondContact CB-OD1 3.41Å; H101-D336 IonicContact CE1-OD1 2.7Å; H101-D336 IonicContact CG-OD1 3.5Å; H101-D336 IonicContact ND1-OD1 3.31Å; H101-D336 PolarHBondContact ND1-OD1 3.44Å; P334-D336 VanDerWaalsContact C-N 3.35Å; P334-D336 WeakPolarHBondContact CG-OD1 3.42Å; P334-D336 PolarHBondContact O-N 3.27Å; D336-R340 WeakPolarHBondContact O-CG 3.45Å; D336-R340 PolarHBondContact O-N 3.08Å; D336-R340 VanDerWaalsContact O-N 3.16Å; D336-R340 PolarHBondContact O-NH1 3.45Å; D336-R340 IonicContact OD2-CZ 3.5Å; D336-R340 VanDerWaalsContact OD2-CZ 3.25Å; D336-R340 IonicContact OD2-NH1 3.63Å; D336-R340 PolarHBondContact OD2-NH1 3.17Å; D336-R340 IonicContact OD2-NH2 3.44Å; D336-R340 PolarHBondContact OD2-NH2 3.27Å; D336-V391 HydrophobicContact CB-CG2 3.87Å
337	V	97.9	Very high	94.8	Very high	37 Å²	37	31.4 Å²	31.4	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-42.6	171.6	172	0	0	0	0	110.8	A333 P334 M335 I339 R340 H341	A333-V337 HydrophobicContact CB-CG1 4.2Å; P334-V337 HydrophobicContact CG-CB 4.03Å; P334-V337 HydrophobicContact CG-CG2 3.64Å; P334-V337 WeakPolarHBondContact O-CB 3.46Å; P334-V337 PolarHBondContact O-N 2.66Å; M335-V337 VanDerWaalsContact C-N 3.28Å; M335-V337 PolarHBondContact O-N 2.9Å; V337-I339 VanDerWaalsContact C-N 3.32Å; V337-I339 PolarHBondContact O-N 3.18Å; V337-R340 VanDerWaalsContact CG2-NH2 3.34Å; V337-R340 PolarHBondContact O-N 3.29Å; V337-H341 WeakPolarHBondContact O-CB 3.18Å; V337-H341 PolarHBondContact O-N 3.47Å; V337-H341 PolarHBondContact O-ND1 3.1Å
338	C	98.6	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-42.2	176	-69.2	0	0	0	0	111.9	A268 P334 M335 F342	A268-C338 HydrophobicContact CB-CB 4.37Å; A268-C338 WeakPolarHBondContact O-CA 3.38Å; P334-C338 PolarHBondContact O-N 2.94Å; M335-C338 WeakPolarHBondContact O-CB 3.41Å; M335-C338 PolarHBondContact O-N 3.48Å; M335-C338 VanDerWaalsContact O-N 3.1Å; C338-F342 WeakPolarHBondContact O-CB 3.25Å; C338-F342 PolarHBondContact O-N 3.2Å
339	I	98.8	Very high	96	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-49.8	176.5	-67.7	164.7	0	0	0	110.8	F67 L291 M335 V337 H341 F342 L343 A353 L354 A357 L389	F67-I339 HydrophobicContact CD1-CD1 3.91Å; F67-I339 HydrophobicContact CD2-CD1 3.75Å; F67-I339 HydrophobicContact CE1-CD1 3.6Å; F67-I339 HydrophobicContact CE2-CD1 3.43Å; F67-I339 VanDerWaalsContact CE2-CD1 3.43Å; F67-I339 HydrophobicContact CG-CD1 3.99Å; F67-I339 HydrophobicContact CZ-CD1 3.34Å; L291-I339 HydrophobicContact CD1-CB 4.43Å; L291-I339 HydrophobicContact CD1-CG1 3.78Å; M335-I339 HydrophobicContact CG-CD1 4.09Å; M335-I339 WeakPolarHBondContact O-CG1 3.3Å; M335-I339 PolarHBondContact O-N 2.96Å; V337-I339 VanDerWaalsContact C-N 3.32Å; V337-I339 PolarHBondContact O-N 3.18Å; I339-H341 PolarHBondContact O-N 2.83Å; I339-F342 PolarHBondContact O-N 3.34Å; I339-L343 WeakPolarHBondContact O-CB 3.26Å; I339-L343 PolarHBondContact O-N 2.85Å; I339-A353 HydrophobicContact CG2-CB 4.14Å; I339-L354 HydrophobicContact CG2-CD2 4.24Å; I339-A357 HydrophobicContact CD1-CB 3.54Å; I339-A357 HydrophobicContact CG1-CB 3.73Å; I339-L389 HydrophobicContact CG2-CD1 4.03Å
340	R	98.6	Very high	96.9	Very high	50 Å²	50	30.6 Å²	30.6	19%	0.189	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-43.7	-179.9	-72.3	-171.7	-61.3	-88.3	1.1	112.1	D336 V337 L343 Q344 T388 L389	D336-R340 WeakPolarHBondContact O-CG 3.45Å; D336-R340 PolarHBondContact O-N 3.08Å; D336-R340 VanDerWaalsContact O-N 3.16Å; D336-R340 PolarHBondContact O-NH1 3.45Å; D336-R340 IonicContact OD2-CZ 3.5Å; D336-R340 VanDerWaalsContact OD2-CZ 3.25Å; D336-R340 IonicContact OD2-NH1 3.63Å; D336-R340 PolarHBondContact OD2-NH1 3.17Å; D336-R340 IonicContact OD2-NH2 3.44Å; D336-R340 PolarHBondContact OD2-NH2 3.27Å; V337-R340 VanDerWaalsContact CG2-NH2 3.34Å; V337-R340 PolarHBondContact O-N 3.29Å; R340-L343 PolarHBondContact O-N 3.09Å; R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 PolarHBondContact O-N 3.23Å; R340-T388 WeakPolarHBondContact CD-O 3.3Å; R340-L389 HydrophobicContact CG-CB 3.97Å; R340-L389 PolarHBondContact NH1-O 3.2Å
341	H	98.3	Very high	97.5	Very high	69 Å²	69	32.3 Å²	32.3	32%	0.319	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-41.2	175.4	-92.6	108.3	0	0	0	112.2	A268 V337 I339 Q344 A345	A268-H341 WeakPolarHBondContact O-CB 3.24Å; V337-H341 WeakPolarHBondContact O-CB 3.18Å; V337-H341 PolarHBondContact O-N 3.47Å; V337-H341 PolarHBondContact O-ND1 3.1Å; I339-H341 PolarHBondContact O-N 2.83Å; H341-Q344 PolarHBondContact O-N 3.38Å; H341-A345 WeakPolarHBondContact O-CB 3.4Å; H341-A345 PolarHBondContact O-N 2.86Å
342	F	98.6	Very high	97.8	Very high	1 Å²	1	34 Å²	34	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-47.6	176.6	178.1	-110.7	0	0	0	111.6	A268 L278 H282 L289 L291 C338 I339 Q344 A345 T346 C348 A353	A268-F342 HydrophobicContact CB-CB 3.84Å; L278-F342 HydrophobicContact CD2-CD2 4.18Å; H282-F342 HydrophobicContact CB-CE2 4.33Å; H282-F342 HydrophobicContact CB-CZ 4.14Å; H282-F342 AromaticContact CD2-CZ 3.63Å; L289-F342 HydrophobicContact CD1-CE2 3.51Å; L289-F342 HydrophobicContact CD1-CZ 3.52Å; L289-F342 HydrophobicContact CD2-CE1 4.38Å; L289-F342 HydrophobicContact CD2-CE2 4.11Å; L289-F342 HydrophobicContact CD2-CZ 3.95Å; L289-F342 HydrophobicContact CG-CZ 4.39Å; L291-F342 HydrophobicContact CD1-CB 4.14Å; L291-F342 HydrophobicContact CD1-CD1 4.15Å; L291-F342 HydrophobicContact CD1-CG 4.25Å; L291-F342 HydrophobicContact CD2-CB 3.98Å; L291-F342 HydrophobicContact CD2-CD1 4.45Å; L291-F342 HydrophobicContact CD2-CD2 4.13Å; L291-F342 HydrophobicContact CD2-CG 3.92Å; C338-F342 WeakPolarHBondContact O-CB 3.25Å; C338-F342 PolarHBondContact O-N 3.2Å; I339-F342 PolarHBondContact O-N 3.34Å; F342-Q344 PolarHBondContact O-N 3.29Å; F342-A345 PolarHBondContact O-N 3.33Å; F342-T346 HydrophobicContact CD2-CG2 3.76Å; F342-T346 HydrophobicContact CE2-CG2 3.4Å; F342-T346 HydrophobicContact CZ-CG2 3.91Å; F342-T346 WeakPolarHBondContact O-CB 3.31Å; F342-T346 WeakPolarHBondContact O-CG2 3.15Å; F342-T346 PolarHBondContact O-N 3.03Å; F342-T346 PolarHBondContact O-OG1 2.99Å; F342-C348 VanDerWaalsContact CE1-SG 3.6Å; F342-A353 HydrophobicContact CD1-CB 4.02Å; F342-A353 HydrophobicContact CE1-CB 4.5Å
343	L	98.5	Very high	98.1	Very high	41 Å²	41	32.9 Å²	32.9	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-50.8	174.8	179.5	66.9	0	0	0	110.9	I339 R340 A345 T346 G347 C348 V350 A353 L389	I339-L343 WeakPolarHBondContact O-CB 3.26Å; I339-L343 PolarHBondContact O-N 2.85Å; R340-L343 PolarHBondContact O-N 3.09Å; L343-A345 PolarHBondContact O-N 3.29Å; L343-T346 PolarHBondContact O-N 2.95Å; L343-G347 WeakPolarHBondContact O-CA 3.32Å; L343-G347 PolarHBondContact O-N 2.93Å; L343-C348 WeakPolarHBondContact CD1-O 3.37Å; L343-V350 HydrophobicContact CD2-CG2 4.2Å; L343-A353 HydrophobicContact CB-CB 4.17Å; L343-A353 HydrophobicContact CD1-CB 4.31Å; L343-L389 HydrophobicContact CD2-CD1 3.72Å
344	Q	98.3	Very high	98.3	Very high	155 Å²	155	32.3 Å²	32.3	72%	0.724	19%	0.19	S	C	*	.	H	α-helix	trans	-62.2	-44.4	179.8	-174.2	-174.4	9.5	0	0	112.5	R340 H341 F342	R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 PolarHBondContact O-N 3.23Å; H341-Q344 PolarHBondContact O-N 3.38Å; F342-Q344 PolarHBondContact O-N 3.29Å
345	A	97.8	Very high	98.4	Very high	16 Å²	16	33 Å²	33	13%	0.132	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-36.2	-176.5	0	0	0	0	0	112.3	P275 L278 R279 H341 F342 L343	P275-A345 HydrophobicContact CB-CB 3.87Å; P275-A345 HydrophobicContact CG-CB 4.41Å; L278-A345 HydrophobicContact CD1-CB 3.74Å; R279-A345 WeakPolarHBondContact CD-O 3.43Å; R279-A345 WeakPolarHBondContact CG-O 3.45Å; R279-A345 PolarHBondContact NH1-O 3.14Å; H341-A345 WeakPolarHBondContact O-CB 3.4Å; H341-A345 PolarHBondContact O-N 2.86Å; F342-A345 PolarHBondContact O-N 3.33Å; L343-A345 PolarHBondContact O-N 3.29Å
346	T	98	Very high	98.4	Very high	15 Å²	15	33 Å²	33	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-96.6	-30.2	-173.4	61.7	0	0	0	0	114.4	L278 R279 H282 F342 L343 C348	L278-T346 HydrophobicContact CB-CG2 4.04Å; R279-T346 HydrophobicContact CG-CG2 4.22Å; H282-T346 HydrophobicContact CB-CG2 4.34Å; F342-T346 HydrophobicContact CD2-CG2 3.76Å; F342-T346 HydrophobicContact CE2-CG2 3.4Å; F342-T346 HydrophobicContact CZ-CG2 3.91Å; F342-T346 WeakPolarHBondContact O-CB 3.31Å; F342-T346 WeakPolarHBondContact O-CG2 3.15Å; F342-T346 PolarHBondContact O-N 3.03Å; F342-T346 PolarHBondContact O-OG1 2.99Å; L343-T346 PolarHBondContact O-N 2.95Å; T346-C348 PolarHBondContact O-N 2.97Å; T346-C348 PolarHBondContact OG1-N 2.77Å; T346-C348 PolarHBondContact OG1-SG 3.31Å
347	G	97.8	Very high	98.4	Very high	65 Å²	65	32.3 Å²	32.3	67%	0.67	19%	0.188	S	C	*	.			trans	64.1	25	-168.2	0	0	0	0	0	112.8	L343	L343-G347 WeakPolarHBondContact O-CA 3.32Å; L343-G347 PolarHBondContact O-N 2.93Å
348	C	98.2	Very high	98.5	Very high	23 Å²	23	30.6 Å²	30.6	16%	0.155	18%	0.178	C	C	.	.			trans	-67	176.2	171.1	67.3	0	0	0	0	111	F342 L343 T346	F342-C348 VanDerWaalsContact CE1-SG 3.6Å; L343-C348 WeakPolarHBondContact CD1-O 3.37Å; T346-C348 PolarHBondContact O-N 2.97Å; T346-C348 PolarHBondContact OG1-N 2.77Å; T346-C348 PolarHBondContact OG1-SG 3.31Å
349	S	98.4	Very high	98.5	Very high	51 Å²	51	32 Å²	32	36%	0.357	19%	0.185	S	C	.	.			trans	-75.2	159.9	173.8	84	0	0	0	0	111.1	E351 S352 A353	S349-E351 WeakPolarHBondContact CB-OE2 3.28Å; S349-E351 PolarHBondContact O-N 2.95Å; S349-E351 PolarHBondContact OG-N 2.95Å; S349-E351 PolarHBondContact OG-OE2 3.02Å; S349-S352 PolarHBondContact O-N 3.11Å; S349-S352 PolarHBondContact OG-N 2.93Å; S349-S352 PolarHBondContact OG-OG 3.46Å; S349-A353 PolarHBondContact O-N 3.11Å; S349-A353 VanDerWaalsContact O-N 3.11Å
350	V	98.6	Very high	98.5	Very high	38 Å²	38	32.6 Å²	32.6	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-41.9	174.8	168.3	0	0	0	0	110.5	L26 I62 L343 S352 A353 L354 L389	L26-V350 HydrophobicContact CD1-CG1 4.24Å; I62-V350 HydrophobicContact CD1-CG1 4.12Å; L343-V350 HydrophobicContact CD2-CG2 4.2Å; V350-S352 PolarHBondContact O-N 3.47Å; V350-A353 PolarHBondContact O-N 3.4Å; V350-L354 HydrophobicContact CG1-CD1 3.6Å; V350-L354 HydrophobicContact CG1-CG 4.25Å; V350-L354 WeakPolarHBondContact O-CB 3.38Å; V350-L354 VanDerWaalsContact O-CG 3.23Å; V350-L354 WeakPolarHBondContact O-CG 3.32Å; V350-L354 PolarHBondContact O-N 3.09Å; V350-L389 HydrophobicContact CG1-CD1 4.29Å; V350-L389 HydrophobicContact CG1-CD2 3.73Å
351	E	98.6	Very high	98.5	Very high	43 Å²	43	30.2 Å²	30.2	20%	0.201	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-49.9	177	-58.5	89.1	166.5	0	0	111.2	L21 L26 S349 A353 L354 E355	L21-E351 HydrophobicContact CD1-CB 3.73Å; L21-E351 HydrophobicContact CD1-CG 3.64Å; L26-E351 HydrophobicContact CG-CG 3.98Å; S349-E351 WeakPolarHBondContact CB-OE2 3.28Å; S349-E351 PolarHBondContact O-N 2.95Å; S349-E351 PolarHBondContact OG-N 2.95Å; S349-E351 PolarHBondContact OG-OE2 3.02Å; E351-A353 VanDerWaalsContact C-N 3.34Å; E351-A353 PolarHBondContact O-N 3.12Å; E351-L354 PolarHBondContact O-N 3.41Å; E351-E355 WeakPolarHBondContact O-CB 3.21Å; E351-E355 WeakPolarHBondContact O-CG 3.14Å; E351-E355 PolarHBondContact O-N 2.91Å
352	S	98.4	Very high	98.5	Very high	38 Å²	38	26.9 Å²	26.9	27%	0.266	16%	0.164	S	C	.	.	H	α-helix	trans	-63.6	-37.9	179.9	-61.5	0	0	0	0	112.8	S349 V350 A356	S349-S352 PolarHBondContact O-N 3.11Å; S349-S352 PolarHBondContact OG-N 2.93Å; S349-S352 PolarHBondContact OG-OG 3.46Å; V350-S352 PolarHBondContact O-N 3.47Å; S352-A356 WeakPolarHBondContact O-CB 3.02Å; S352-A356 PolarHBondContact O-N 2.84Å; S352-A356 VanDerWaalsContact O-N 3.11Å
353	A	98.7	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-38.8	175.6	0	0	0	0	0	112.2	I339 F342 L343 S349 V350 E351	I339-A353 HydrophobicContact CG2-CB 4.14Å; F342-A353 HydrophobicContact CD1-CB 4.02Å; F342-A353 HydrophobicContact CE1-CB 4.5Å; L343-A353 HydrophobicContact CB-CB 4.17Å; L343-A353 HydrophobicContact CD1-CB 4.31Å; S349-A353 PolarHBondContact O-N 3.11Å; S349-A353 VanDerWaalsContact O-N 3.11Å; V350-A353 PolarHBondContact O-N 3.4Å; E351-A353 VanDerWaalsContact C-N 3.34Å; E351-A353 PolarHBondContact O-N 3.12Å
354	L	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-74	-40.2	178.5	-66.4	170.9	0	0	0	112.2	L21 I62 A64 F67 I339 V350 E351 A356 A357 S358 L385	L21-L354 HydrophobicContact CD2-CB 3.54Å; L21-L354 HydrophobicContact CD2-CD1 4.04Å; L21-L354 HydrophobicContact CD2-CG 4.46Å; I62-L354 HydrophobicContact CG2-CD1 4.17Å; A64-L354 HydrophobicContact CB-CB 4.48Å; A64-L354 HydrophobicContact CB-CD1 3.9Å; A64-L354 HydrophobicContact CB-CD2 4.15Å; A64-L354 HydrophobicContact CB-CG 4.41Å; F67-L354 HydrophobicContact CE1-CD2 3.77Å; F67-L354 HydrophobicContact CZ-CD2 3.91Å; I339-L354 HydrophobicContact CG2-CD2 4.24Å; V350-L354 HydrophobicContact CG1-CD1 3.6Å; V350-L354 HydrophobicContact CG1-CG 4.25Å; V350-L354 WeakPolarHBondContact O-CB 3.38Å; V350-L354 VanDerWaalsContact O-CG 3.23Å; V350-L354 WeakPolarHBondContact O-CG 3.32Å; V350-L354 PolarHBondContact O-N 3.09Å; E351-L354 PolarHBondContact O-N 3.41Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 3.23Å; L354-A357 PolarHBondContact O-N 2.72Å; L354-A357 VanDerWaalsContact O-N 3.16Å; L354-S358 WeakPolarHBondContact O-CB 3.41Å; L354-S358 PolarHBondContact O-N 2.87Å; L354-S358 VanDerWaalsContact O-N 3.15Å; L354-S358 PolarHBondContact O-OG 3.3Å; L354-L385 HydrophobicContact CD1-CD1 4.27Å; L354-L385 HydrophobicContact CD2-CD1 3.45Å; L354-L385 VanDerWaalsContact CD2-CD1 3.45Å
355	E	98.8	Very high	98.5	Very high	34 Å²	34	21.7 Å²	21.7	16%	0.159	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-37.8	175.3	-75.8	-178.3	148.1	0	0	111.7	L21 G24 E351 A357 S358 L359 H360	L21-E355 HydrophobicContact CD2-CG 4.31Å; G24-E355 VanDerWaalsContact CA-OE1 3.22Å; G24-E355 WeakPolarHBondContact CA-OE1 3.47Å; E351-E355 WeakPolarHBondContact O-CB 3.21Å; E351-E355 WeakPolarHBondContact O-CG 3.14Å; E351-E355 PolarHBondContact O-N 2.91Å; E355-A357 PolarHBondContact O-N 3.43Å; E355-S358 CarbonylContact O-C 3.46Å; E355-S358 PolarHBondContact O-N 3.44Å; E355-L359 HydrophobicContact CB-CB 4.08Å; E355-L359 HydrophobicContact CG-CB 4.12Å; E355-L359 HydrophobicContact CG-CD2 4.18Å; E355-L359 PolarHBondContact O-N 3.11Å; E355-H360 PolarHBondContact O-N 2.8Å
356	A	98.8	Very high	98.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-26.1	175.5	0	0	0	0	0	113.9	L289 V290 L291 S352 L354 H360 P361	L289-A356 HydrophobicContact CD2-CB 3.62Å; V290-A356 WeakPolarHBondContact CA-O 3.45Å; L291-A356 HydrophobicContact CD1-CB 4.09Å; L291-A356 HydrophobicContact CG-CB 3.93Å; L291-A356 PolarHBondContact N-O 3.06Å; S352-A356 WeakPolarHBondContact O-CB 3.02Å; S352-A356 PolarHBondContact O-N 2.84Å; S352-A356 VanDerWaalsContact O-N 3.11Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 3.23Å; A356-H360 WeakPolarHBondContact CA-ND1 3.25Å; A356-P361 WeakPolarHBondContact O-CD 3.01Å
357	A	98.9	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.1	175.8	0	0	0	0	0	113.6	F67 I68 L291 M335 I339 L354 E355	F67-A357 CarbonylContact C-O 3.57Å; F67-A357 VanDerWaalsContact CA-O 3.25Å; F67-A357 WeakPolarHBondContact CA-O 3.44Å; F67-A357 HydrophobicContact CB-CB 4.41Å; F67-A357 HydrophobicContact CD1-CB 3.98Å; F67-A357 HydrophobicContact CG-CB 4.28Å; I68-A357 PolarHBondContact N-O 3.45Å; L291-A357 HydrophobicContact CB-CB 4.31Å; L291-A357 HydrophobicContact CD1-CB 4.28Å; M335-A357 HydrophobicContact CG-CB 4.31Å; M335-A357 HydrophobicContact SD-CB 3.93Å; I339-A357 HydrophobicContact CD1-CB 3.54Å; I339-A357 HydrophobicContact CG1-CB 3.73Å; L354-A357 PolarHBondContact O-N 2.72Å; L354-A357 VanDerWaalsContact O-N 3.16Å; E355-A357 PolarHBondContact O-N 3.43Å
358	S	98.9	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-71.7	-174.4	60.3	0	0	0	0	113.1	L354 E355 P361 A362 G372	L354-S358 WeakPolarHBondContact O-CB 3.41Å; L354-S358 PolarHBondContact O-N 2.87Å; L354-S358 VanDerWaalsContact O-N 3.15Å; L354-S358 PolarHBondContact O-OG 3.3Å; E355-S358 CarbonylContact O-C 3.46Å; E355-S358 PolarHBondContact O-N 3.44Å; S358-P361 WeakPolarHBondContact O-CD 3.43Å; S358-P361 WeakPolarHBondContact O-CG 3.18Å; S358-A362 WeakPolarHBondContact O-CB 3.47Å; S358-A362 PolarHBondContact O-N 3.04Å; S358-A362 VanDerWaalsContact O-N 3.1Å; S358-G372 WeakPolarHBondContact O-CA 3.38Å
359	L	98.8	Very high	98.3	Very high	31 Å²	31	32 Å²	32	16%	0.162	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-49.4	-177.9	-178.5	60.4	0	0	0	112.5	E355 A362 Q363 E368 G372	E355-L359 HydrophobicContact CB-CB 4.08Å; E355-L359 HydrophobicContact CG-CB 4.12Å; E355-L359 HydrophobicContact CG-CD2 4.18Å; E355-L359 PolarHBondContact O-N 3.11Å; L359-A362 WeakPolarHBondContact O-CB 3.35Å; L359-A362 PolarHBondContact O-N 3.33Å; L359-Q363 HydrophobicContact CD1-CG 4.17Å; L359-Q363 HydrophobicContact CG-CG 4.37Å; L359-Q363 WeakPolarHBondContact O-CG 3.46Å; L359-Q363 PolarHBondContact O-N 3.33Å; L359-E368 HydrophobicContact CD1-CB 4.45Å; L359-G372 WeakPolarHBondContact CA-O 3.43Å; L359-G372 VanDerWaalsContact CB-O 3.3Å; L359-G372 WeakPolarHBondContact CB-O 3.21Å; L359-G372 PolarHBondContact N-O 3.09Å
360	H	98.8	Very high	98.3	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.06	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-47.5	-176.9	-58.2	166.3	0	0	0	112.8	F263 P286 L289 V290 E355 A356 A362 Q363 L364	F263-H360 HydrophobicContact CD1-CB 4.4Å; F263-H360 HydrophobicContact CE1-CB 4.28Å; P286-H360 PolarHBondContact O-CE1 2.84Å; P286-H360 VanDerWaalsContact O-CE1 3.3Å; L289-H360 WeakPolarHBondContact O-CB 3.37Å; L289-H360 PolarHBondContact O-ND1 3.24Å; V290-H360 HydrophobicContact CG2-CB 3.98Å; E355-H360 PolarHBondContact O-N 2.8Å; A356-H360 WeakPolarHBondContact CA-ND1 3.25Å; H360-A362 VanDerWaalsContact C-N 3.27Å; H360-A362 PolarHBondContact O-N 3.42Å; H360-Q363 PolarHBondContact O-N 3.13Å; H360-L364 WeakPolarHBondContact O-CB 3.38Å; H360-L364 PolarHBondContact O-N 2.96Å
361	P	98.8	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-31.2	172.4	18.6	-28.1	0	0	0	113	I68 V70 V290 A356 S358 L365	I68-P361 HydrophobicContact CB-CB 3.89Å; I68-P361 HydrophobicContact CB-CG 3.84Å; I68-P361 HydrophobicContact CG2-CB 4.04Å; V70-P361 HydrophobicContact CG1-CB 3.84Å; V290-P361 HydrophobicContact CG1-CB 3.75Å; V290-P361 HydrophobicContact CG1-CG 4.16Å; A356-P361 WeakPolarHBondContact O-CD 3.01Å; S358-P361 WeakPolarHBondContact O-CD 3.43Å; S358-P361 WeakPolarHBondContact O-CG 3.18Å; P361-L365 WeakPolarHBondContact O-CG 3.45Å; P361-L365 PolarHBondContact O-N 3.39Å; P361-L365 VanDerWaalsContact O-N 3.16Å
362	A	98.7	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-44.3	172.6	0	0	0	0	0	111.8	I68 S358 L359 H360 L365 G366 L367 K371	I68-A362 HydrophobicContact CD1-CB 3.8Å; S358-A362 WeakPolarHBondContact O-CB 3.47Å; S358-A362 PolarHBondContact O-N 3.04Å; S358-A362 VanDerWaalsContact O-N 3.1Å; L359-A362 WeakPolarHBondContact O-CB 3.35Å; L359-A362 PolarHBondContact O-N 3.33Å; H360-A362 VanDerWaalsContact C-N 3.27Å; H360-A362 PolarHBondContact O-N 3.42Å; A362-L365 CarbonylContact O-C 3.53Å; A362-L365 PolarHBondContact O-N 3.4Å; A362-G366 PolarHBondContact O-N 3.06Å; A362-L367 HydrophobicContact CB-CB 4.32Å; A362-L367 PolarHBondContact O-N 3.2Å; A362-K371 VanDerWaalsContact CB-O 3.28Å; A362-K371 WeakPolarHBondContact CB-O 3.14Å
363	Q	98.4	Very high	98.2	Very high	73 Å²	73	28.3 Å²	28.3	34%	0.341	15%	0.152	S	C	.	.	H	α-helix	trans	-64.4	-42.9	176.7	-71.4	171.5	-19.3	0	0	112.2	F263 L359 H360 L365 G366 E368	F263-Q363 HydrophobicContact CE1-CB 4.06Å; F263-Q363 HydrophobicContact CE2-CB 4.45Å; F263-Q363 HydrophobicContact CZ-CB 3.59Å; L359-Q363 HydrophobicContact CD1-CG 4.17Å; L359-Q363 HydrophobicContact CG-CG 4.37Å; L359-Q363 WeakPolarHBondContact O-CG 3.46Å; L359-Q363 PolarHBondContact O-N 3.33Å; H360-Q363 PolarHBondContact O-N 3.13Å; Q363-L365 PolarHBondContact O-N 2.77Å; Q363-G366 PolarHBondContact O-N 2.68Å; Q363-E368 HydrophobicContact CG-CB 3.69Å; Q363-E368 HydrophobicContact CG-CG 4.1Å
364	L	98.4	Very high	98.2	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-51.5	-41.9	172	165.7	61.6	0	0	0	111.3	V70 C206 F229 F263 V290 H360	V70-L364 HydrophobicContact CG2-CD2 4.09Å; C206-L364 VanDerWaalsContact SG-CD1 3.53Å; F229-L364 HydrophobicContact CB-CD1 3.82Å; F229-L364 HydrophobicContact CD1-CD2 4.19Å; F229-L364 HydrophobicContact CD2-CD1 3.82Å; F229-L364 HydrophobicContact CD2-CD2 3.64Å; F229-L364 HydrophobicContact CD2-CG 4.38Å; F229-L364 HydrophobicContact CE1-CD2 4.15Å; F229-L364 HydrophobicContact CE2-CD2 3.58Å; F229-L364 HydrophobicContact CG-CD1 3.88Å; F229-L364 HydrophobicContact CG-CD2 3.97Å; F229-L364 HydrophobicContact CZ-CD2 3.86Å; F263-L364 HydrophobicContact CB-CB 4.33Å; F263-L364 HydrophobicContact CB-CD1 4.03Å; F263-L364 HydrophobicContact CD1-CB 4.37Å; F263-L364 HydrophobicContact CD2-CB 4Å; F263-L364 HydrophobicContact CD2-CD1 4.1Å; F263-L364 HydrophobicContact CE2-CB 4.41Å; F263-L364 HydrophobicContact CG-CB 3.98Å; F263-L364 HydrophobicContact CG-CD1 4.3Å; V290-L364 HydrophobicContact CG2-CD2 4.26Å; H360-L364 WeakPolarHBondContact O-CB 3.38Å; H360-L364 PolarHBondContact O-N 2.96Å
365	L	98.1	Very high	98.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	9.3	-179.3	-59.7	-175.1	0	0	0	113.6	V70 L138 R182 I183 P361 A362 Q363 L367	V70-L365 HydrophobicContact CG1-CD1 3.82Å; V70-L365 HydrophobicContact CG1-CG 4.33Å; L138-L365 HydrophobicContact CB-CD1 4.47Å; L138-L365 HydrophobicContact CD1-CD1 3.73Å; R182-L365 HydrophobicContact CG-CD1 4.28Å; R182-L365 HydrophobicContact CG-CD2 3.67Å; R182-L365 VanDerWaalsContact NH2-C 3.3Å; R182-L365 PolarHBondContact NH2-O 3.29Å; I183-L365 HydrophobicContact CD1-CD2 4.02Å; I183-L365 HydrophobicContact CG1-CD2 3.99Å; P361-L365 WeakPolarHBondContact O-CG 3.45Å; P361-L365 PolarHBondContact O-N 3.39Å; P361-L365 VanDerWaalsContact O-N 3.16Å; A362-L365 CarbonylContact O-C 3.53Å; A362-L365 PolarHBondContact O-N 3.4Å; Q363-L365 PolarHBondContact O-N 2.77Å; L365-L367 HydrophobicContact CB-CD1 3.97Å; L365-L367 HydrophobicContact CB-CG 3.97Å; L365-L367 HydrophobicContact CD1-CD1 4.38Å; L365-L367 WeakPolarHBondContact O-CG 3.22Å; L365-L367 PolarHBondContact O-N 2.91Å
366	G	97.3	Very high	98	Very high	54 Å²	54	34.7 Å²	34.7	56%	0.557	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	29.2	-179	0	0	0	0	0	114.4	A362 Q363 E368	A362-G366 PolarHBondContact O-N 3.06Å; Q363-G366 PolarHBondContact O-N 2.68Å; G366-E368 VanDerWaalsContact CA-OE2 3.25Å; G366-E368 WeakPolarHBondContact CA-OE2 3.46Å
367	L	97.8	Very high	97.8	Very high	40 Å²	40	36.6 Å²	36.6	21%	0.209	20%	0.203	C	C	.	.			trans	-104	-0	-177.8	-61.3	178.7	0	0	0	112.8	L138 A362 L365 K369 T370 K371	L138-L367 HydrophobicContact CD1-CD1 3.86Å; L138-L367 HydrophobicContact CD2-CD1 3.95Å; L138-L367 HydrophobicContact CG-CD1 4.44Å; A362-L367 HydrophobicContact CB-CB 4.32Å; A362-L367 PolarHBondContact O-N 3.2Å; L365-L367 HydrophobicContact CB-CD1 3.97Å; L365-L367 HydrophobicContact CB-CG 3.97Å; L365-L367 HydrophobicContact CD1-CD1 4.38Å; L365-L367 WeakPolarHBondContact O-CG 3.22Å; L365-L367 PolarHBondContact O-N 2.91Å; L367-K369 PolarHBondContact O-N 3.35Å; L367-T370 CarbonylContact O-C 3.57Å; L367-T370 PolarHBondContact O-N 3.4Å; L367-T370 PolarHBondContact O-OG1 2.84Å; L367-T370 VanDerWaalsContact O-OG1 3.07Å; L367-K371 HydrophobicContact CB-CB 4.31Å; L367-K371 PolarHBondContact O-N 2.84Å
368	E	96.6	Very high	97.8	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.5	-171.2	75.8	-68.7	162.4	0	0	114.3	L359 Q363 G366 T370 K371 N373	L359-E368 HydrophobicContact CD1-CB 4.45Å; Q363-E368 HydrophobicContact CG-CB 3.69Å; Q363-E368 HydrophobicContact CG-CG 4.1Å; G366-E368 VanDerWaalsContact CA-OE2 3.25Å; G366-E368 WeakPolarHBondContact CA-OE2 3.46Å; E368-T370 VanDerWaalsContact C-N 3.29Å; E368-K371 WeakPolarHBondContact CA-O 3.32Å; E368-N373 PolarHBondContact O-ND2 3.4Å
369	K	96.6	Very high	97.8	Very high	174 Å²	174	37.8 Å²	37.8	76%	0.757	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.6	171.7	-65.9	-178.4	-178.4	173.9	0	113.5	L367	L367-K369 PolarHBondContact O-N 3.35Å
370	T	96.8	Very high	97.7	Very high	49 Å²	49	36.3 Å²	36.3	30%	0.301	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-25.9	-171.2	53.2	0	0	0	0	113.8	L367 E368 D379	L367-T370 CarbonylContact O-C 3.57Å; L367-T370 PolarHBondContact O-N 3.4Å; L367-T370 PolarHBondContact O-OG1 2.84Å; L367-T370 VanDerWaalsContact O-OG1 3.07Å; E368-T370 VanDerWaalsContact C-N 3.29Å; T370-D379 VanDerWaalsContact O-CB 3.29Å; T370-D379 WeakPolarHBondContact O-CB 3.31Å; T370-D379 PolarHBondContact O-N 2.7Å
371	K	98	Very high	97.7	Very high	22 Å²	22	36.1 Å²	36.1	10%	0.096	20%	0.201	C	C	.	.	S	Bend	trans	-137.4	163.8	-177.4	-62.6	-163.7	177.5	-55.3	0	111	I68 L138 A362 L367 E368 N373 D379 D381	I68-K371 HydrophobicContact CD1-CB 4.23Å; L138-K371 HydrophobicContact CD2-CD 4.45Å; A362-K371 VanDerWaalsContact CB-O 3.28Å; A362-K371 WeakPolarHBondContact CB-O 3.14Å; L367-K371 HydrophobicContact CB-CB 4.31Å; L367-K371 PolarHBondContact O-N 2.84Å; E368-K371 WeakPolarHBondContact CA-O 3.32Å; K371-N373 PolarHBondContact O-N 2.77Å; K371-N373 PolarHBondContact O-ND2 2.87Å; K371-N373 VanDerWaalsContact O-ND2 3.16Å; K371-D379 IonicContact NZ-OD2 3.91Å; K371-D379 PolarHBondContact NZ-OD2 2.79Å; K371-D381 IonicContact NZ-OD2 2.78Å; K371-D381 PolarHBondContact NZ-OD2 3.48Å
372	G	98	Very high	97.7	Very high	7 Å²	7	36.1 Å²	36.1	7%	0.072	20%	0.201	C	C	.	.	S	Bend	trans	75.8	7.8	178	0	0	0	0	0	114.6	P65 S358 L359	P65-G372 VanDerWaalsContact CB-C 3.44Å; P65-G372 WeakPolarHBondContact CG-O 3.15Å; S358-G372 WeakPolarHBondContact O-CA 3.38Å; L359-G372 WeakPolarHBondContact CA-O 3.43Å; L359-G372 VanDerWaalsContact CB-O 3.3Å; L359-G372 WeakPolarHBondContact CB-O 3.21Å; L359-G372 PolarHBondContact N-O 3.09Å
373	N	98.1	Very high	97.7	Very high	14 Å²	14	36.1 Å²	36.1	8%	0.075	20%	0.201	C	C	.	.	S	Bend	trans	-146.8	170.1	174	65.9	82.1	0	0	0	109.9	P65 E368 K371 D375 A378	P65-N373 VanDerWaalsContact CG-CA 3.47Å; E368-N373 PolarHBondContact O-ND2 3.4Å; K371-N373 PolarHBondContact O-N 2.77Å; K371-N373 PolarHBondContact O-ND2 2.87Å; K371-N373 VanDerWaalsContact O-ND2 3.16Å; N373-D375 WeakPolarHBondContact OD1-CB 3.34Å; N373-D375 PolarHBondContact OD1-N 3.22Å; N373-D375 PolarHBondContact OD1-OD2 3.28Å; N373-A378 WeakPolarHBondContact OD1-CB 3.28Å
374	L	97.9	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.			trans	-116.6	35.7	173.7	-59.6	178.8	0	0	0	111.4	I20 R22 L31 I38 L63 P65 F382	I20-L374 HydrophobicContact CG2-CB 4.05Å; I20-L374 HydrophobicContact CG2-CD1 3.69Å; R22-L374 VanDerWaalsContact CZ-O 3.28Å; R22-L374 PolarHBondContact NE-O 3.48Å; R22-L374 PolarHBondContact NH2-O 3.37Å; L31-L374 HydrophobicContact CD1-CB 4.39Å; I38-L374 HydrophobicContact CD1-CD2 4.41Å; L63-L374 HydrophobicContact CB-CD1 4.36Å; L63-L374 WeakPolarHBondContact O-CD1 3.22Å; P65-L374 HydrophobicContact CB-CD2 4.38Å; P65-L374 HydrophobicContact CB-CG 4.38Å; P65-L374 HydrophobicContact CG-CG 4.07Å; L374-F382 HydrophobicContact CD1-CB 4.41Å; L374-F382 HydrophobicContact CD2-CB 3.73Å
375	D	97	Very high	97.8	Very high	72 Å²	72	32.6 Å²	32.6	39%	0.385	19%	0.185	S	C	.	.			trans	-74.3	157.5	176.3	-60.7	-27.2	0	0	0	110.8	R22 I38 N373 G377 A378	R22-D375 VanDerWaalsContact CG-OD1 3.24Å; R22-D375 WeakPolarHBondContact CG-OD1 3.32Å; I38-D375 WeakPolarHBondContact CB-O 3.44Å; N373-D375 WeakPolarHBondContact OD1-CB 3.34Å; N373-D375 PolarHBondContact OD1-N 3.22Å; N373-D375 PolarHBondContact OD1-OD2 3.28Å; D375-G377 PolarHBondContact O-N 3.18Å; D375-A378 WeakPolarHBondContact O-CB 3.38Å; D375-A378 PolarHBondContact O-N 3.18Å; D375-A378 VanDerWaalsContact O-N 3.08Å
376	F	96.4	Very high	97.8	Very high	96 Å²	96	34.5 Å²	34.5	42%	0.421	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131.3	179.3	-54.9	-42.5	0	0	0	111.5	I38 L39 D40 A378	I38-F376 HydrophobicContact CG2-CD1 4.12Å; L39-F376 VanDerWaalsContact C-CD1 3.48Å; L39-F376 WeakPolarHBondContact O-CD1 3.21Å; L39-F376 VanDerWaalsContact O-CE1 3.24Å; L39-F376 WeakPolarHBondContact O-CE1 3.47Å; D40-F376 HydrophobicContact CB-CB 4.14Å; D40-F376 HydrophobicContact CB-CD1 4.16Å; D40-F376 HydrophobicContact CB-CD2 3.84Å; D40-F376 HydrophobicContact CB-CE2 4.24Å; D40-F376 HydrophobicContact CB-CG 3.79Å; F376-A378 VanDerWaalsContact C-N 3.31Å
377	G	96.4	Very high	97.8	Very high	42 Å²	42	37.6 Å²	37.6	43%	0.433	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-10.4	-175.9	0	0	0	0	0	115.1	R37 I38 D375	R37-G377 WeakPolarHBondContact CD-O 3.16Å; R37-G377 PolarHBondContact NH1-O 3.09Å; R37-G377 VanDerWaalsContact NH1-O 3.09Å; I38-G377 PolarHBondContact O-N 2.8Å; D375-G377 PolarHBondContact O-N 3.18Å
378	A	97.8	Very high	97.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	21%	0.213	C	C	.	.	S	Bend	trans	-64.6	162	171.4	0	0	0	0	0	111.5	R37 I38 N373 D375 F376	R37-A378 WeakPolarHBondContact CA-O 3.43Å; R37-A378 WeakPolarHBondContact CD-O 3.34Å; I38-A378 PolarHBondContact N-O 3.25Å; N373-A378 WeakPolarHBondContact OD1-CB 3.28Å; D375-A378 WeakPolarHBondContact O-CB 3.38Å; D375-A378 PolarHBondContact O-N 3.18Å; D375-A378 VanDerWaalsContact O-N 3.08Å; F376-A378 VanDerWaalsContact C-N 3.31Å
379	D	98.2	Very high	97.8	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.123	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-62	137.5	170.1	-66.8	-15.7	0	0	0	109.1	R37 T370 K371 D381	R37-D379 IonicContact CZ-OD1 2.95Å; R37-D379 IonicContact NE-OD1 2.76Å; R37-D379 IonicContact NH1-OD1 3.95Å; R37-D379 PolarHBondContact NH1-OD1 3.15Å; R37-D379 IonicContact NH2-OD1 3.71Å; R37-D379 PolarHBondContact NH2-OD1 3.34Å; T370-D379 VanDerWaalsContact O-CB 3.29Å; T370-D379 WeakPolarHBondContact O-CB 3.31Å; T370-D379 PolarHBondContact O-N 2.7Å; K371-D379 IonicContact NZ-OD2 3.91Å; K371-D379 PolarHBondContact NZ-OD2 2.79Å; D379-D381 PolarHBondContact O-N 3.03Å
380	A	98.3	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.			trans	-78.5	54.4	176.4	0	0	0	0	0	111.7	V33 G36 I38 S397 G398	V33-A380 HydrophobicContact CB-CB 4.36Å; V33-A380 HydrophobicContact CG1-CB 3.42Å; V33-A380 VanDerWaalsContact CG1-CB 3.42Å; V33-A380 HydrophobicContact CG2-CB 3.98Å; G36-A380 PolarHBondContact O-N 3.45Å; I38-A380 HydrophobicContact CD1-CB 3.67Å; I38-A380 HydrophobicContact CG1-CB 4.47Å; A380-S397 PolarHBondContact O-N 3.22Å; A380-S397 VanDerWaalsContact O-N 3.15Å; A380-G398 PolarHBondContact O-N 2.98Å
381	D	98.7	Very high	98	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.048	17%	0.169	C	C	.	.			trans	-101.3	107.4	176.2	-63.6	-7.7	0	0	0	107.8	G66 T104 K371 D379 Y395 I396 S397	G66-D381 PolarHBondContact N-O 3.5Å; T104-D381 HydrophobicContact CG2-CB 4.38Å; K371-D381 IonicContact NZ-OD2 2.78Å; K371-D381 PolarHBondContact NZ-OD2 3.48Å; D379-D381 PolarHBondContact O-N 3.03Å; D381-Y395 WeakPolarHBondContact CA-O 3.44Å; D381-I396 WeakPolarHBondContact OD1-CA 3.44Å; D381-I396 WeakPolarHBondContact OD1-CG2 3.46Å; D381-S397 PolarHBondContact OD1-N 3.17Å
382	F	98.8	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.4	-173.8	65.1	-90.5	0	0	0	112.2	F15 L31 V33 L63 A64 L374 V384 Y395	F15-F382 HydrophobicContact CD1-CE2 4.44Å; F15-F382 HydrophobicContact CD1-CZ 4.3Å; F15-F382 HydrophobicContact CD2-CZ 4.09Å; F15-F382 HydrophobicContact CE1-CE2 4.28Å; F15-F382 AromaticContact CE1-CZ 3.9Å; F15-F382 HydrophobicContact CE1-CZ 3.9Å; F15-F382 HydrophobicContact CE2-CE1 4.29Å; F15-F382 AromaticContact CE2-CZ 3.66Å; F15-F382 HydrophobicContact CE2-CZ 3.66Å; F15-F382 HydrophobicContact CG-CZ 4.4Å; F15-F382 HydrophobicContact CZ-CE1 4.47Å; F15-F382 HydrophobicContact CZ-CE2 4.4Å; F15-F382 AromaticContact CZ-CZ 3.57Å; F15-F382 HydrophobicContact CZ-CZ 3.57Å; L31-F382 HydrophobicContact CD2-CD1 3.93Å; L31-F382 HydrophobicContact CD2-CD2 4.47Å; L31-F382 HydrophobicContact CD2-CE1 3.91Å; L31-F382 HydrophobicContact CD2-CE2 4.44Å; L31-F382 HydrophobicContact CD2-CG 4.22Å; L31-F382 HydrophobicContact CD2-CZ 4.17Å; V33-F382 HydrophobicContact CG2-CE1 4.34Å; L63-F382 HydrophobicContact CD2-CD2 4.13Å; L63-F382 HydrophobicContact CD2-CE2 3.98Å; L63-F382 HydrophobicContact CG-CD2 3.94Å; L63-F382 HydrophobicContact CG-CE2 4.16Å; A64-F382 CarbonylContact O-C 3.51Å; A64-F382 WeakPolarHBondContact O-CA 3.44Å; A64-F382 VanDerWaalsContact O-CB 3.24Å; A64-F382 WeakPolarHBondContact O-CB 3.43Å; L374-F382 HydrophobicContact CD1-CB 4.41Å; L374-F382 HydrophobicContact CD2-CB 3.73Å; F382-V384 HydrophobicContact CD2-CG2 4.42Å; F382-V384 HydrophobicContact CE2-CG2 4.23Å; F382-Y395 AromaticContact CD2-CD2 3.95Å; F382-Y395 HydrophobicContact CD2-CD2 3.95Å; F382-Y395 HydrophobicContact CD2-CG 4.27Å; F382-Y395 HydrophobicContact CE1-CD1 4.43Å; F382-Y395 AromaticContact CE1-CG 4Å; F382-Y395 HydrophobicContact CE1-CG 4Å; F382-Y395 HydrophobicContact CE2-CD1 4.32Å; F382-Y395 AromaticContact CE2-CD2 3.34Å; F382-Y395 HydrophobicContact CE2-CD2 3.34Å; F382-Y395 AromaticContact CE2-CE2 3.91Å; F382-Y395 HydrophobicContact CE2-CE2 3.91Å; F382-Y395 AromaticContact CE2-CG 3.59Å; F382-Y395 HydrophobicContact CE2-CG 3.59Å; F382-Y395 AromaticContact CZ-CD1 3.81Å; F382-Y395 HydrophobicContact CZ-CD1 3.81Å; F382-Y395 AromaticContact CZ-CD2 3.7Å; F382-Y395 HydrophobicContact CZ-CD2 3.7Å; F382-Y395 HydrophobicContact CZ-CE1 4.42Å; F382-Y395 HydrophobicContact CZ-CE2 4.32Å; F382-Y395 AromaticContact CZ-CG 3.42Å; F382-Y395 HydrophobicContact CZ-CG 3.42Å; F382-Y395 VanDerWaalsContact CZ-CG 3.42Å; F382-Y395 PolarHBondContact N-O 2.8Å; F382-Y395 PolarHBondContact O-N 2.84Å
383	V	98.8	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.5	177.6	-23.5	0	0	0	0	108.6	L63 A64 F67 G102 L385 A393	L63-V383 WeakPolarHBondContact CA-O 3.35Å; A64-V383 HydrophobicContact CB-CG2 4.39Å; A64-V383 PolarHBondContact N-O 3.47Å; A64-V383 PolarHBondContact O-N 2.81Å; F67-V383 HydrophobicContact CD2-CG1 4.44Å; F67-V383 HydrophobicContact CE1-CG1 4.43Å; F67-V383 HydrophobicContact CE1-CG2 4.25Å; F67-V383 HydrophobicContact CE2-CG1 4.36Å; F67-V383 HydrophobicContact CE2-CG2 4.2Å; F67-V383 HydrophobicContact CZ-CG1 4.36Å; F67-V383 HydrophobicContact CZ-CG2 3.77Å; G102-V383 WeakPolarHBondContact O-CG1 3.43Å; V383-L385 HydrophobicContact CG2-CD1 3.94Å; V383-L385 HydrophobicContact CG2-CD2 3.46Å; V383-L385 VanDerWaalsContact CG2-CD2 3.46Å; V383-L385 HydrophobicContact CG2-CG 3.48Å; V383-L385 VanDerWaalsContact CG2-CG 3.48Å; V383-A393 WeakPolarHBondContact CA-O 3.3Å
384	V	98.8	Very high	98.1	Very high	12 Å²	12	32 Å²	32	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123	173.1	-175.1	0	0	0	0	107.8	C61 I62 L63 F382 Q392 A393 Y395	C61-V384 HydrophobicContact CB-CG1 3.51Å; I62-V384 CarbonylContact O-C 3.59Å; I62-V384 WeakPolarHBondContact O-CA 3.13Å; L63-V384 HydrophobicContact CD1-CB 4.32Å; L63-V384 HydrophobicContact CD1-CG1 4.04Å; L63-V384 HydrophobicContact CD1-CG2 3.86Å; L63-V384 HydrophobicContact CG-CG2 4.31Å; F382-V384 HydrophobicContact CD2-CG2 4.42Å; F382-V384 HydrophobicContact CE2-CG2 4.23Å; V384-Q392 HydrophobicContact CB-CB 4.42Å; V384-Q392 HydrophobicContact CG1-CB 4.22Å; V384-Q392 PolarHBondContact O-N 3.26Å; V384-A393 HydrophobicContact CB-CB 4.12Å; V384-A393 HydrophobicContact CG2-CB 4.12Å; V384-A393 PolarHBondContact N-O 2.7Å; V384-A393 PolarHBondContact O-N 2.79Å; V384-Y395 HydrophobicContact CG2-CD2 4.15Å; V384-Y395 HydrophobicContact CG2-CE2 3.78Å
385	L	98.8	Very high	98.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.2	-177.2	-55.6	171.5	0	0	0	111	C61 I62 A64 F67 L354 V383 L389 H390 V391	C61-L385 CarbonylContact C-O 3.43Å; C61-L385 WeakPolarHBondContact CA-O 3.39Å; C61-L385 WeakPolarHBondContact CB-O 3.42Å; I62-L385 HydrophobicContact CB-CB 4.23Å; I62-L385 PolarHBondContact N-O 3.18Å; I62-L385 PolarHBondContact O-N 3.24Å; A64-L385 HydrophobicContact CB-CD1 4.3Å; F67-L385 HydrophobicContact CZ-CD1 4.21Å; F67-L385 HydrophobicContact CZ-CD2 4.41Å; L354-L385 HydrophobicContact CD1-CD1 4.27Å; L354-L385 HydrophobicContact CD2-CD1 3.45Å; L354-L385 VanDerWaalsContact CD2-CD1 3.45Å; V383-L385 HydrophobicContact CG2-CD1 3.94Å; V383-L385 HydrophobicContact CG2-CD2 3.46Å; V383-L385 VanDerWaalsContact CG2-CD2 3.46Å; V383-L385 HydrophobicContact CG2-CG 3.48Å; V383-L385 VanDerWaalsContact CG2-CG 3.48Å; L385-L389 HydrophobicContact CD1-CD2 4.02Å; L385-H390 WeakPolarHBondContact CA-O 3.31Å; L385-V391 HydrophobicContact CD2-CB 4.35Å; L385-V391 HydrophobicContact CD2-CG2 3.91Å
386	D	98.2	Very high	98.2	Very high	41 Å²	41	29.6 Å²	29.6	22%	0.219	16%	0.162	C	C	.	.			trans	-76.1	178.7	163.9	67.7	26.2	0	0	0	112	T388 L389 H390 Q392	D386-T388 VanDerWaalsContact CG-OG1 3.26Å; D386-T388 PolarHBondContact O-N 3.4Å; D386-T388 VanDerWaalsContact O-N 3.14Å; D386-T388 VanDerWaalsContact OD1-C 3.26Å; D386-T388 VanDerWaalsContact OD1-CA 3.26Å; D386-T388 WeakPolarHBondContact OD1-CA 3.47Å; D386-T388 WeakPolarHBondContact OD1-CB 3.29Å; D386-T388 PolarHBondContact OD1-N 2.9Å; D386-T388 PolarHBondContact OD1-OG1 2.88Å; D386-T388 PolarHBondContact OD2-OG1 2.89Å; D386-L389 PolarHBondContact O-N 2.89Å; D386-L389 PolarHBondContact OD1-N 3.4Å; D386-H390 PolarHBondContact N-O 3.11Å; D386-H390 VanDerWaalsContact N-O 3.14Å; D386-H390 PolarHBondContact OD1-N 3.07Å; D386-H390 IonicContact OD1-ND1 3.77Å; D386-H390 WeakPolarHBondContact OD2-CB 3.31Å; D386-H390 IonicContact OD2-ND1 3.56Å; D386-Q392 HydrophobicContact CB-CG 4.3Å; D386-Q392 PolarHBondContact OD2-NE2 3.21Å
387	D	97.3	Very high	98.2	Very high	119 Å²	119	27.3 Å²	27.3	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.1	178.6	-80.4	-39.8	0	0	0	114.3	R19	R19-D387 IonicContact CZ-OD1 3Å; R19-D387 IonicContact NH1-OD1 3.62Å; R19-D387 PolarHBondContact NH1-OD1 2.66Å; R19-D387 IonicContact NH2-OD1 2.77Å; R19-D387 PolarHBondContact NH2-OD1 3.45Å; R19-D387 IonicContact NH2-OD2 2.64Å
388	T	97.5	Very high	98.2	Very high	82 Å²	82	25.3 Å²	25.3	50%	0.503	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	6.9	177.1	62.2	0	0	0	0	112.6	R340 D386 H390	R340-T388 WeakPolarHBondContact CD-O 3.3Å; D386-T388 VanDerWaalsContact CG-OG1 3.26Å; D386-T388 PolarHBondContact O-N 3.4Å; D386-T388 VanDerWaalsContact O-N 3.14Å; D386-T388 VanDerWaalsContact OD1-C 3.26Å; D386-T388 VanDerWaalsContact OD1-CA 3.26Å; D386-T388 WeakPolarHBondContact OD1-CA 3.47Å; D386-T388 WeakPolarHBondContact OD1-CB 3.29Å; D386-T388 PolarHBondContact OD1-N 2.9Å; D386-T388 PolarHBondContact OD1-OG1 2.88Å; D386-T388 PolarHBondContact OD2-OG1 2.89Å; T388-H390 VanDerWaalsContact C-N 3.3Å; T388-H390 PolarHBondContact O-N 3.22Å; T388-H390 PolarHBondContact OG1-ND1 2.97Å
389	L	98.4	Very high	98.2	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	16%	0.156	C	C	.	.			trans	61.1	32.2	-177.8	-46.9	-176.5	0	0	0	113.9	I62 I339 R340 L343 V350 L385 D386	I62-L389 HydrophobicContact CD1-CD2 3.95Å; I339-L389 HydrophobicContact CG2-CD1 4.03Å; R340-L389 HydrophobicContact CG-CB 3.97Å; R340-L389 PolarHBondContact NH1-O 3.2Å; L343-L389 HydrophobicContact CD2-CD1 3.72Å; V350-L389 HydrophobicContact CG1-CD1 4.29Å; V350-L389 HydrophobicContact CG1-CD2 3.73Å; L385-L389 HydrophobicContact CD1-CD2 4.02Å; D386-L389 PolarHBondContact O-N 2.89Å; D386-L389 PolarHBondContact OD1-N 3.4Å
390	H	98.4	Very high	98.1	Very high	82 Å²	82	32.3 Å²	32.3	38%	0.38	17%	0.172	S	C	.	.			trans	-85.2	138.2	164.2	-64.1	94.1	0	0	0	110.4	L385 D386 T388 Q392	L385-H390 WeakPolarHBondContact CA-O 3.31Å; D386-H390 PolarHBondContact N-O 3.11Å; D386-H390 VanDerWaalsContact N-O 3.14Å; D386-H390 PolarHBondContact OD1-N 3.07Å; D386-H390 IonicContact OD1-ND1 3.77Å; D386-H390 WeakPolarHBondContact OD2-CB 3.31Å; D386-H390 IonicContact OD2-ND1 3.56Å; T388-H390 VanDerWaalsContact C-N 3.3Å; T388-H390 PolarHBondContact O-N 3.22Å; T388-H390 PolarHBondContact OG1-ND1 2.97Å; H390-Q392 PolarHBondContact O-N 2.83Å; H390-Q392 PolarHBondContact O-NE2 2.94Å
391	V	98.6	Very high	98.1	Very high	10 Å²	10	33.5 Å²	33.5	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.9	-178	-168.1	0	0	0	0	110	D336 L385 W402	D336-V391 HydrophobicContact CB-CG2 3.87Å; L385-V391 HydrophobicContact CD2-CB 4.35Å; L385-V391 HydrophobicContact CD2-CG2 3.91Å; V391-W402 HydrophobicContact CB-CZ3 4.05Å; V391-W402 HydrophobicContact CG1-CE3 4.11Å; V391-W402 HydrophobicContact CG1-CZ3 3.64Å; V391-W402 WeakPolarHBondContact O-CZ3 3.36Å
392	Q	98.5	Very high	98.1	Very high	70 Å²	70	36.6 Å²	36.6	33%	0.327	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-36.1	176.6	-57	-56.5	-45.8	0	0	111.2	V384 D386 H390 A404	V384-Q392 HydrophobicContact CB-CB 4.42Å; V384-Q392 HydrophobicContact CG1-CB 4.22Å; V384-Q392 PolarHBondContact O-N 3.26Å; D386-Q392 HydrophobicContact CB-CG 4.3Å; D386-Q392 PolarHBondContact OD2-NE2 3.21Å; H390-Q392 PolarHBondContact O-N 2.83Å; H390-Q392 PolarHBondContact O-NE2 2.94Å; Q392-A404 PolarHBondContact O-N 3.08Å
393	A	98.4	Very high	98	Very high	7 Å²	7	41.9 Å²	41.9	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	157.3	175.6	0	0	0	0	0	111.6	V383 V384 Y395 L400 W402	V383-A393 WeakPolarHBondContact CA-O 3.3Å; V384-A393 HydrophobicContact CB-CB 4.12Å; V384-A393 HydrophobicContact CG2-CB 4.12Å; V384-A393 PolarHBondContact N-O 2.7Å; V384-A393 PolarHBondContact O-N 2.79Å; A393-Y395 HydrophobicContact CB-CD2 4.38Å; A393-Y395 HydrophobicContact CB-CE2 3.72Å; A393-L400 HydrophobicContact CB-CD1 3.81Å; A393-W402 CarbonylContact C-O 3.56Å; A393-W402 VanDerWaalsContact CA-O 3.31Å; A393-W402 WeakPolarHBondContact CA-O 3.46Å
394	T	98.8	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.2	175.3	-55.7	0	0	0	0	109	L99 T104 V401 W402	L99-T394 HydrophobicContact CD2-CG2 4.26Å; L99-T394 WeakPolarHBondContact O-CB 3.46Å; L99-T394 PolarHBondContact O-OG1 2.86Å; T104-T394 HydrophobicContact CG2-CG2 3.71Å; T394-V401 HydrophobicContact CG2-CG2 4.01Å; T394-V401 VanDerWaalsContact O-CG2 3.24Å; T394-V401 WeakPolarHBondContact O-CG2 3.33Å; T394-V401 PolarHBondContact O-N 3.24Å; T394-W402 PolarHBondContact N-O 2.88Å; T394-W402 PolarHBondContact O-N 3.24Å
395	Y	98.7	Very high	97.3	Very high	21 Å²	21	51.6 Å²	51.6	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.1	-179.7	-68.9	-101.7	0	0	0	110.5	F15 D381 F382 V384 A393 E399 L400	F15-Y395 HydrophobicContact CE1-CD1 4.36Å; F15-Y395 AromaticContact CE1-CE1 3.68Å; F15-Y395 HydrophobicContact CE1-CE1 3.68Å; F15-Y395 HydrophobicContact CE1-CE2 4.31Å; F15-Y395 AromaticContact CE1-CZ 3.65Å; F15-Y395 HydrophobicContact CZ-CD1 4.09Å; F15-Y395 AromaticContact CZ-CE1 3.72Å; F15-Y395 HydrophobicContact CZ-CE1 3.72Å; D381-Y395 WeakPolarHBondContact CA-O 3.44Å; F382-Y395 AromaticContact CD2-CD2 3.95Å; F382-Y395 HydrophobicContact CD2-CD2 3.95Å; F382-Y395 HydrophobicContact CD2-CG 4.27Å; F382-Y395 HydrophobicContact CE1-CD1 4.43Å; F382-Y395 AromaticContact CE1-CG 4Å; F382-Y395 HydrophobicContact CE1-CG 4Å; F382-Y395 HydrophobicContact CE2-CD1 4.32Å; F382-Y395 AromaticContact CE2-CD2 3.34Å; F382-Y395 HydrophobicContact CE2-CD2 3.34Å; F382-Y395 AromaticContact CE2-CE2 3.91Å; F382-Y395 HydrophobicContact CE2-CE2 3.91Å; F382-Y395 AromaticContact CE2-CG 3.59Å; F382-Y395 HydrophobicContact CE2-CG 3.59Å; F382-Y395 AromaticContact CZ-CD1 3.81Å; F382-Y395 HydrophobicContact CZ-CD1 3.81Å; F382-Y395 AromaticContact CZ-CD2 3.7Å; F382-Y395 HydrophobicContact CZ-CD2 3.7Å; F382-Y395 HydrophobicContact CZ-CE1 4.42Å; F382-Y395 HydrophobicContact CZ-CE2 4.32Å; F382-Y395 AromaticContact CZ-CG 3.42Å; F382-Y395 HydrophobicContact CZ-CG 3.42Å; F382-Y395 VanDerWaalsContact CZ-CG 3.42Å; F382-Y395 PolarHBondContact N-O 2.8Å; F382-Y395 PolarHBondContact O-N 2.84Å; V384-Y395 HydrophobicContact CG2-CD2 4.15Å; V384-Y395 HydrophobicContact CG2-CE2 3.78Å; A393-Y395 HydrophobicContact CB-CD2 4.38Å; A393-Y395 HydrophobicContact CB-CE2 3.72Å; Y395-E399 CarbonylContact C-O 3.45Å; Y395-E399 WeakPolarHBondContact CA-O 3.46Å; Y395-L400 HydrophobicContact CD1-CB 4.14Å; Y395-L400 HydrophobicContact CD2-CD1 4.38Å; Y395-L400 HydrophobicContact CE1-CB 3.68Å; Y395-L400 HydrophobicContact CE1-CD1 4.03Å; Y395-L400 HydrophobicContact CE1-CG 4.45Å; Y395-L400 HydrophobicContact CE2-CD1 3.82Å
396	I	98.6	Very high	95.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129	171.4	-63.2	178.2	0	0	0	108	L99 T104 G130 D381 G398 E399 V401	L99-I396 HydrophobicContact CD2-CD1 3.7Å; T104-I396 HydrophobicContact CG2-CD1 4.37Å; T104-I396 HydrophobicContact CG2-CG1 3.86Å; G130-I396 VanDerWaalsContact C-CG2 3.46Å; D381-I396 WeakPolarHBondContact OD1-CA 3.44Å; D381-I396 WeakPolarHBondContact OD1-CG2 3.46Å; I396-G398 PolarHBondContact O-N 2.91Å; I396-E399 PolarHBondContact N-O 2.92Å; I396-E399 PolarHBondContact O-N 3.43Å; I396-V401 HydrophobicContact CB-CG1 4.03Å; I396-V401 HydrophobicContact CB-CG2 4.41Å; I396-V401 HydrophobicContact CD1-CG2 4.05Å; I396-V401 HydrophobicContact CG1-CG1 4.38Å; I396-V401 HydrophobicContact CG1-CG2 3.89Å
397	S	97.1	Very high	93.7	Very high	48 Å²	48	61.9 Å²	61.9	34%	0.336	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	37.3	-173.2	-60.4	0	0	0	0	112.3	G36 A380 D381 E399	G36-S397 VanDerWaalsContact CA-O 3.26Å; G36-S397 WeakPolarHBondContact CA-O 3.43Å; A380-S397 PolarHBondContact O-N 3.22Å; A380-S397 VanDerWaalsContact O-N 3.15Å; D381-S397 PolarHBondContact OD1-N 3.17Å; S397-E399 PolarHBondContact O-N 2.93Å
398	G	96.1	Very high	90.9	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.01	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-2.6	179.3	0	0	0	0	0	115.3	R13 A380 I396	R13-G398 PolarHBondContact NH1-O 3.36Å; A380-G398 PolarHBondContact O-N 2.98Å; I396-G398 PolarHBondContact O-N 2.91Å
399	E	96.9	Very high	88.1	Confident	85 Å²	85	65.1 Å²	65.1	40%	0.397	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.7	177.8	-61.1	-58.8	147.3	0	0	110.4	R13 Y395 I396 S397 V401	R13-E399 IonicContact CZ-OE1 3.25Å; R13-E399 IonicContact CZ-OE2 3.46Å; R13-E399 IonicContact NH1-OE1 3.86Å; R13-E399 PolarHBondContact NH1-OE1 3.34Å; R13-E399 VanDerWaalsContact NH1-OE1 3.09Å; R13-E399 IonicContact NH1-OE2 3.93Å; R13-E399 PolarHBondContact NH1-OE2 3.2Å; R13-E399 IonicContact NH2-OE1 2.77Å; R13-E399 PolarHBondContact NH2-OE1 3.21Å; R13-E399 IonicContact NH2-OE2 3.56Å; R13-E399 PolarHBondContact NH2-OE2 2.86Å; Y395-E399 CarbonylContact C-O 3.45Å; Y395-E399 WeakPolarHBondContact CA-O 3.46Å; I396-E399 PolarHBondContact N-O 2.92Å; I396-E399 PolarHBondContact O-N 3.43Å; S397-E399 PolarHBondContact O-N 2.93Å; E399-V401 PolarHBondContact O-N 2.8Å
400	L	97.5	Very high	87.6	Confident	85 Å²	85	68.2 Å²	68.2	45%	0.445	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	114.4	173.5	179.5	66.7	0	0	0	108.9	A393 Y395 W402 K403	A393-L400 HydrophobicContact CB-CD1 3.81Å; Y395-L400 HydrophobicContact CD1-CB 4.14Å; Y395-L400 HydrophobicContact CD2-CD1 4.38Å; Y395-L400 HydrophobicContact CE1-CB 3.68Å; Y395-L400 HydrophobicContact CE1-CD1 4.03Å; Y395-L400 HydrophobicContact CE1-CG 4.45Å; Y395-L400 HydrophobicContact CE2-CD1 3.82Å; L400-W402 WeakPolarHBondContact CD1-O 3.4Å; L400-K403 HydrophobicContact CD1-CB 4.27Å; L400-K403 HydrophobicContact CD2-CB 4.33Å
401	V	98.3	Very high	87.1	Confident	25 Å²	25	67.4 Å²	67.4	15%	0.152	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-18.2	-179	-60.7	0	0	0	0	112.9	L99 T394 I396 E399	L99-V401 HydrophobicContact CD1-CB 3.94Å; L99-V401 HydrophobicContact CD1-CG2 3.82Å; L99-V401 HydrophobicContact CD2-CG2 3.84Å; L99-V401 HydrophobicContact CG-CG2 4.34Å; T394-V401 HydrophobicContact CG2-CG2 4.01Å; T394-V401 VanDerWaalsContact O-CG2 3.24Å; T394-V401 WeakPolarHBondContact O-CG2 3.33Å; T394-V401 PolarHBondContact O-N 3.24Å; I396-V401 HydrophobicContact CB-CG1 4.03Å; I396-V401 HydrophobicContact CB-CG2 4.41Å; I396-V401 HydrophobicContact CD1-CG2 4.05Å; I396-V401 HydrophobicContact CG1-CG1 4.38Å; I396-V401 HydrophobicContact CG1-CG2 3.89Å; E399-V401 PolarHBondContact O-N 2.8Å
402	W	98.2	Very high	86.4	Confident	74 Å²	74	70.6 Å²	70.6	28%	0.28	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	144.3	172.3	-178.9	87.9	0	0	0	110.5	L99 S100 V391 A393 T394 L400 A404	L99-W402 HydrophobicContact CB-CB 3.86Å; L99-W402 HydrophobicContact CB-CG 4.4Å; S100-W402 VanDerWaalsContact CA-CE2 3.45Å; S100-W402 VanDerWaalsContact CB-CZ2 3.46Å; V391-W402 HydrophobicContact CB-CZ3 4.05Å; V391-W402 HydrophobicContact CG1-CE3 4.11Å; V391-W402 HydrophobicContact CG1-CZ3 3.64Å; V391-W402 WeakPolarHBondContact O-CZ3 3.36Å; A393-W402 CarbonylContact C-O 3.56Å; A393-W402 VanDerWaalsContact CA-O 3.31Å; A393-W402 WeakPolarHBondContact CA-O 3.46Å; T394-W402 PolarHBondContact N-O 2.88Å; T394-W402 PolarHBondContact O-N 3.24Å; L400-W402 WeakPolarHBondContact CD1-O 3.4Å; W402-A404 HydrophobicContact CH2-CB 3.69Å; W402-A404 HydrophobicContact CZ2-CB 4.39Å; W402-A404 HydrophobicContact CZ3-CB 4.13Å
403	K	96.9	Very high	85.7	Confident	112 Å²	112	70.6 Å²	70.6	49%	0.487	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.8	173.5	-166.9	-175.3	171.2	-166.7	0	108.4	L400 E406	L400-K403 HydrophobicContact CD1-CB 4.27Å; L400-K403 HydrophobicContact CD2-CB 4.33Å; K403-E406 IonicContact NZ-OE1 2.7Å; K403-E406 PolarHBondContact NZ-OE1 3.31Å
404	A	94.4	Very high	84.9	Confident	24 Å²	24	74.6 Å²	74.6	20%	0.198	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-60.8	142.4	169.5	0	0	0	0	0	109.8	Q392 W402 E406	Q392-A404 PolarHBondContact O-N 3.08Å; W402-A404 HydrophobicContact CH2-CB 3.69Å; W402-A404 HydrophobicContact CZ2-CB 4.39Å; W402-A404 HydrophobicContact CZ3-CB 4.13Å; A404-E406 PolarHBondContact O-N 2.95Å
405	E	87	Confident	84	Confident	191 Å²	191	79.6 Å²	79.6	89%	0.893	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-65.1	129.7	169.4	-68.6	-177.2	177.1	0	0	108.1	A407	E405-A407 PolarHBondContact O-N 3.36Å
406	E	69.5	Low	82.9	Confident	156 Å²	156	83.8 Å²	83.8	73%	0.729	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-59.5	124.2	171	-76.2	168.6	-159.3	0	0	107	K403 A404 G408	K403-E406 IonicContact NZ-OE1 2.7Å; K403-E406 PolarHBondContact NZ-OE1 3.31Å; A404-E406 PolarHBondContact O-N 2.95Å; E406-G408 PolarHBondContact O-N 3.39Å
407	A	51.7	Low	81.7	Confident	103 Å²	103	90.2 Å²	90.2	85%	0.851	52%	0.519	S	S	*	.			trans	-54.5	108.3	171.5	0	0	0	0	0	106.5	E405	E405-A407 PolarHBondContact O-N 3.36Å
408	G	38.9	Very low	80.4	Confident	60 Å²	60	93.7 Å²	93.7	62%	0.619	53%	0.534	S	S	*	.			trans	-54.2	149.2	176.3	0	0	0	0	0	109.4	E406	E406-G408 PolarHBondContact O-N 3.39Å
409	P	40	Very low	79	Confident	208 Å²	208	102.1 Å²	102.1	100%	1.351	58%	0.582	S	S	*	*			trans	-56.4	0	-178.6	24.2	-34.3	0	0	0	113.7

Retrieved 409 of 409 residues in 93.3 ms (Link to these results)

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