A0A096MYS2_PAPAN Loading...

Aldose 1-epimerase

Mutarotase that catalyzes the interconversion of beta-D-galactose and alpha-D-galactose during galactose metabolism. Beta-D-galactose is metabolized in the liver into glucose 1-phosphate, the primary metabolic fuel, by the action of four enzymes that constitute the Leloir pathway: GALM, GALK1 (galactokinase), GALT (galactose-1-phosphate uridylyltransferase) and GALE (UDP-galactose-4'-epimerase). Involved in the maintenance of the equilibrium between the beta- and alpha-anomers of galactose, therefore ensuring a sufficient supply of the alpha-anomer for GALK1. Also active on D-glucose although shows a preference for galactose over glucose.

AlphaFold DB , UniProt , Accession A0A096MYS2, Species PAPAN (Papio anubis, Olive baboon), Gene GALM, Length 342 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	75.8	Confident	95.8	Very high	178 Å²	178	73.8 Å²	73.8	88%	0.877	42%	0.42	S	S	*	.				0	128	0	-73.8	-155.4	-78	0	0	109.8	D153	M1-D153 PolarHBondContact N-OD1 3.08Å
2	A	91.9	Very high	96	Very high	5 Å²	5	68.9 Å²	68.9	4%	0.041	39%	0.392	C	S	.	.			trans	-69.5	145.8	179.6	0	0	0	0	0	112.6	Q25 L152	A2-Q25 CarbonylContact C-O 3.6Å; A2-Q25 WeakPolarHBondContact CA-O 3.39Å; A2-Q25 WeakPolarHBondContact CB-O 3.41Å; A2-L152 HydrophobicContact CB-CB 3.71Å; A2-L152 HydrophobicContact CB-CD2 3.82Å; A2-L152 HydrophobicContact CB-CG 3.84Å; A2-L152 VanDerWaalsContact CB-O 3.26Å; A2-L152 WeakPolarHBondContact CB-O 3.43Å
3	S	97.5	Very high	96.1	Very high	70 Å²	70	70.2 Å²	70.2	49%	0.49	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	150.2	165.3	60.2	0	0	0	0	110.7	Q25	S3-Q25 PolarHBondContact N-O 3.48Å; S3-Q25 PolarHBondContact O-N 3.17Å; S3-Q25 PolarHBondContact OG-O 3.44Å
4	V	98.8	Very high	96	Very high	33 Å²	33	74.9 Å²	74.9	20%	0.2	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.1	179.4	-170.6	0	0	0	0	110.3	Q23 L24 V122 G126	V4-Q23 WeakPolarHBondContact CA-O 3.35Å; V4-L24 HydrophobicContact CB-CD2 4.18Å; V4-L24 HydrophobicContact CG1-CD2 3.74Å; V4-L24 HydrophobicContact CG2-CD2 3.67Å; V4-V122 HydrophobicContact CB-CG1 4.06Å; V4-V122 HydrophobicContact CG1-CG1 3.81Å; V4-G126 VanDerWaalsContact CG2-N 3.33Å
5	T	98.8	Very high	95.7	Very high	77 Å²	77	74.9 Å²	74.9	47%	0.472	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.8	168.8	60.7	0	0	0	0	110.2	F22 Q23	T5-F22 CarbonylContact O-C 3.52Å; T5-F22 WeakPolarHBondContact O-CA 3.34Å; T5-Q23 PolarHBondContact N-O 3.19Å; T5-Q23 PolarHBondContact O-N 2.84Å
6	R	98.6	Very high	95.7	Very high	146 Å²	146	73.1 Å²	73.1	55%	0.551	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.4	176.8	70.5	-174.7	-83.9	-169.4	-6.4	111.4	E20 K21 F22	R6-E20 IonicContact CZ-OE1 3.14Å; R6-E20 IonicContact CZ-OE2 3.86Å; R6-E20 IonicContact NE-OE1 3.64Å; R6-E20 PolarHBondContact NE-OE1 3.3Å; R6-E20 IonicContact NE-OE2 3.85Å; R6-E20 IonicContact NH2-OE1 2.65Å; R6-E20 PolarHBondContact NH2-OE1 2.82Å; R6-E20 IonicContact NH2-OE2 2.79Å; R6-E20 PolarHBondContact NH2-OE2 2.89Å; R6-K21 CarbonylContact C-O 3.51Å; R6-K21 WeakPolarHBondContact CA-O 3.35Å; R6-F22 HydrophobicContact CB-CD1 3.82Å; R6-F22 HydrophobicContact CB-CE1 3.77Å
7	A	98.6	Very high	95.8	Very high	57 Å²	57	70.2 Å²	70.2	47%	0.471	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161	174.1	0	0	0	0	0	110.3	E20 K21	A7-E20 CarbonylContact O-C 3.54Å; A7-E20 WeakPolarHBondContact O-CA 2.84Å; A7-K21 PolarHBondContact N-O 2.89Å; A7-K21 PolarHBondContact O-N 3.15Å
8	A	98.6	Very high	95.9	Very high	78 Å²	78	70 Å²	70	65%	0.645	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	137	166.1	0	0	0	0	0	109.6	T18	A8-T18 HydrophobicContact CB-CG2 4.46Å
9	F	98.7	Very high	96.1	Very high	41 Å²	41	66.3 Å²	66.3	18%	0.18	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-39.2	177.4	-173	-116.1	0	0	0	112	V19 K21 I34 A60 L62 Y65	F9-V19 HydrophobicContact CB-CG1 4.25Å; F9-V19 WeakPolarHBondContact CB-O 3.36Å; F9-V19 HydrophobicContact CD1-CG1 4.18Å; F9-V19 PolarHBondContact N-O 2.67Å; F9-K21 HydrophobicContact CB-CB 3.96Å; F9-K21 HydrophobicContact CD2-CB 4.1Å; F9-K21 HydrophobicContact CD2-CD 4.09Å; F9-K21 HydrophobicContact CG-CB 4.31Å; F9-I34 HydrophobicContact CB-CG2 4.2Å; F9-I34 HydrophobicContact CD1-CB 4.36Å; F9-I34 HydrophobicContact CD1-CD1 4.02Å; F9-I34 HydrophobicContact CD1-CG2 3.65Å; F9-I34 HydrophobicContact CD2-CG2 4.09Å; F9-I34 HydrophobicContact CE1-CD1 3.85Å; F9-I34 HydrophobicContact CE1-CG2 3.99Å; F9-I34 HydrophobicContact CE2-CG2 4.42Å; F9-I34 HydrophobicContact CG-CG2 3.7Å; F9-I34 HydrophobicContact CZ-CG2 4.38Å; F9-A60 WeakPolarHBondContact CE2-O 3.24Å; F9-A60 WeakPolarHBondContact CZ-O 3.42Å; F9-L62 HydrophobicContact CD1-CB 3.97Å; F9-L62 HydrophobicContact CD1-CD1 4.46Å; F9-L62 HydrophobicContact CE1-CB 3.92Å; F9-Y65 HydrophobicContact CE1-CD2 4.42Å; F9-Y65 HydrophobicContact CE1-CE2 4.42Å; F9-Y65 HydrophobicContact CZ-CE2 4.39Å
10	G	98.4	Very high	96.2	Very high	18 Å²	18	64.9 Å²	64.9	19%	0.186	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	175.6	-179.7	0	0	0	0	0	111.1	V19	G10-V19 PolarHBondContact N-O 2.97Å; G10-V19 PolarHBondContact O-N 2.8Å
11	E	98.5	Very high	96.4	Very high	109 Å²	109	64.4 Å²	64.4	51%	0.509	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	177.6	-71.8	-65.2	159.8	0	0	109.3	T18	E11-T18 VanDerWaalsContact CD-OG1 3.29Å; E11-T18 VanDerWaalsContact OE1-CB 3.3Å; E11-T18 WeakPolarHBondContact OE1-CB 3.14Å; E11-T18 VanDerWaalsContact OE1-CG2 3.28Å; E11-T18 WeakPolarHBondContact OE1-CG2 3.38Å; E11-T18 PolarHBondContact OE1-OG1 2.73Å; E11-T18 VanDerWaalsContact OE2-CA 3.24Å; E11-T18 WeakPolarHBondContact OE2-CA 3.48Å; E11-T18 PolarHBondContact OE2-N 3.5Å; E11-T18 PolarHBondContact OE2-OG1 3.41Å
12	L	98.3	Very high	97.5	Very high	15 Å²	15	56 Å²	56	8%	0.079	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	143.4	173.9	-69.4	167.1	0	0	0	110.3	G16 G17 V19 W36 L62 L66 L117	L12-G16 WeakPolarHBondContact CD1-O 3.26Å; L12-G17 WeakPolarHBondContact CB-O 3.39Å; L12-G17 WeakPolarHBondContact CG-O 3.41Å; L12-G17 PolarHBondContact N-O 3.39Å; L12-V19 HydrophobicContact CD1-CG2 4.25Å; L12-V19 HydrophobicContact CD2-CG2 4.11Å; L12-V19 HydrophobicContact CG-CG2 3.81Å; L12-W36 HydrophobicContact CD1-CE3 3.65Å; L12-W36 HydrophobicContact CD1-CZ3 3.5Å; L12-W36 VanDerWaalsContact CD1-CZ3 3.5Å; L12-W36 HydrophobicContact CD2-CD2 4.01Å; L12-W36 HydrophobicContact CD2-CE3 3.56Å; L12-W36 HydrophobicContact CD2-CH2 3.92Å; L12-W36 HydrophobicContact CD2-CZ2 4.36Å; L12-W36 HydrophobicContact CD2-CZ3 3.51Å; L12-W36 HydrophobicContact CG-CE3 4.2Å; L12-W36 HydrophobicContact CG-CZ3 4.16Å; L12-L62 HydrophobicContact CD2-CD2 4.19Å; L12-L66 HydrophobicContact CD2-CD1 4.36Å; L12-L66 HydrophobicContact CD2-CD2 3.85Å; L12-L117 HydrophobicContact CD1-CB 4.07Å; L12-L117 HydrophobicContact CD1-CD1 4.42Å; L12-L117 HydrophobicContact CD1-CD2 4.22Å; L12-L117 HydrophobicContact CD1-CG 4.48Å
13	P	96.9	Very high	97.8	Very high	86 Å²	86	58.1 Å²	58.1	56%	0.558	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-60.6	160.6	177.3	26.9	-35.2	0	0	0	111.4	G15 G16 L66	P13-G15 PolarHBondContact O-N 3.02Å; P13-G15 VanDerWaalsContact O-N 3.15Å; P13-G16 PolarHBondContact O-N 3.12Å; P13-G16 VanDerWaalsContact O-N 3.1Å; P13-L66 HydrophobicContact CG-CD1 4.37Å
14	S	94.8	Very high	97.9	Very high	136 Å²	136	54.8 Å²	54.8	95%	0.951	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	57.9	26.9	176.9	-52.4	0	0	0	0	114.4	G16	S14-G16 VanDerWaalsContact C-N 3.31Å; S14-G16 PolarHBondContact O-N 3.22Å
15	G	92.1	Very high	97.9	Very high	75 Å²	75	57.4 Å²	57.4	77%	0.773	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	70.3	26.7	-178.8	0	0	0	0	0	113.4	P13 G17	P13-G15 PolarHBondContact O-N 3.02Å; P13-G15 VanDerWaalsContact O-N 3.15Å; G15-G17 PolarHBondContact O-N 2.6Å; G15-G17 VanDerWaalsContact O-N 3.11Å
16	G	94.6	Very high	97.9	Very high	45 Å²	45	54.5 Å²	54.5	46%	0.464	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.9	-179.2	0	0	0	0	0	115.1	L12 P13 S14	L12-G16 WeakPolarHBondContact CD1-O 3.26Å; P13-G16 PolarHBondContact O-N 3.12Å; P13-G16 VanDerWaalsContact O-N 3.1Å; S14-G16 VanDerWaalsContact C-N 3.31Å; S14-G16 PolarHBondContact O-N 3.22Å
17	G	97.6	Very high	97.8	Very high	25 Å²	25	52.9 Å²	52.9	26%	0.258	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	108.8	162.7	175	0	0	0	0	0	114.1	L12 G15	L12-G17 WeakPolarHBondContact CB-O 3.39Å; L12-G17 WeakPolarHBondContact CG-O 3.41Å; L12-G17 PolarHBondContact N-O 3.39Å; G15-G17 PolarHBondContact O-N 2.6Å; G15-G17 VanDerWaalsContact O-N 3.11Å
18	T	98.6	Very high	97.8	Very high	66 Å²	66	54.1 Å²	54.1	41%	0.405	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.9	179.7	-51.4	0	0	0	0	111.3	A8 E11 E20	A8-T18 HydrophobicContact CB-CG2 4.46Å; E11-T18 VanDerWaalsContact CD-OG1 3.29Å; E11-T18 VanDerWaalsContact OE1-CB 3.3Å; E11-T18 WeakPolarHBondContact OE1-CB 3.14Å; E11-T18 VanDerWaalsContact OE1-CG2 3.28Å; E11-T18 WeakPolarHBondContact OE1-CG2 3.38Å; E11-T18 PolarHBondContact OE1-OG1 2.73Å; E11-T18 VanDerWaalsContact OE2-CA 3.24Å; E11-T18 WeakPolarHBondContact OE2-CA 3.48Å; E11-T18 PolarHBondContact OE2-N 3.5Å; E11-T18 PolarHBondContact OE2-OG1 3.41Å; T18-E20 HydrophobicContact CG2-CG 4.47Å
19	V	98.9	Very high	97.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.5	167.9	-176.6	0	0	0	0	108.8	F9 G10 L12 I34 W36 L62 L117	F9-V19 HydrophobicContact CB-CG1 4.25Å; F9-V19 WeakPolarHBondContact CB-O 3.36Å; F9-V19 HydrophobicContact CD1-CG1 4.18Å; F9-V19 PolarHBondContact N-O 2.67Å; G10-V19 PolarHBondContact N-O 2.97Å; G10-V19 PolarHBondContact O-N 2.8Å; L12-V19 HydrophobicContact CD1-CG2 4.25Å; L12-V19 HydrophobicContact CD2-CG2 4.11Å; L12-V19 HydrophobicContact CG-CG2 3.81Å; V19-I34 HydrophobicContact CG1-CB 3.94Å; V19-I34 HydrophobicContact CG1-CD1 4.32Å; V19-W36 HydrophobicContact CG1-CB 3.82Å; V19-W36 HydrophobicContact CG2-CB 4Å; V19-L62 HydrophobicContact CB-CD1 4.4Å; V19-L62 HydrophobicContact CB-CD2 4.06Å; V19-L62 HydrophobicContact CG1-CD1 4.32Å; V19-L62 HydrophobicContact CG2-CD1 3.95Å; V19-L62 HydrophobicContact CG2-CD2 3.58Å; V19-L62 HydrophobicContact CG2-CG 4.44Å; V19-L117 HydrophobicContact CG2-CD1 4.12Å
20	E	98.9	Very high	97.8	Very high	37 Å²	37	52 Å²	52	17%	0.173	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.7	177.1	-62.5	-170.2	87.6	0	0	110.6	R6 A7 T18 F22 I34 S35	R6-E20 IonicContact CZ-OE1 3.14Å; R6-E20 IonicContact CZ-OE2 3.86Å; R6-E20 IonicContact NE-OE1 3.64Å; R6-E20 PolarHBondContact NE-OE1 3.3Å; R6-E20 IonicContact NE-OE2 3.85Å; R6-E20 IonicContact NH2-OE1 2.65Å; R6-E20 PolarHBondContact NH2-OE1 2.82Å; R6-E20 IonicContact NH2-OE2 2.79Å; R6-E20 PolarHBondContact NH2-OE2 2.89Å; A7-E20 CarbonylContact O-C 3.54Å; A7-E20 WeakPolarHBondContact O-CA 2.84Å; T18-E20 HydrophobicContact CG2-CG 4.47Å; E20-F22 HydrophobicContact CB-CE2 3.7Å; E20-F22 HydrophobicContact CB-CZ 3.83Å; E20-I34 CarbonylContact O-C 3.55Å; E20-I34 WeakPolarHBondContact O-CA 3.47Å; E20-S35 PolarHBondContact N-OG 2.71Å; E20-S35 PolarHBondContact O-N 3.1Å
21	K	98.9	Very high	97.8	Very high	56 Å²	56	51.1 Å²	51.1	24%	0.243	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.6	169.9	-176.3	-179	-173.7	-171	0	109.3	R6 A7 F9 D32 I33 I34	R6-K21 CarbonylContact C-O 3.51Å; R6-K21 WeakPolarHBondContact CA-O 3.35Å; A7-K21 PolarHBondContact N-O 2.89Å; A7-K21 PolarHBondContact O-N 3.15Å; F9-K21 HydrophobicContact CB-CB 3.96Å; F9-K21 HydrophobicContact CD2-CB 4.1Å; F9-K21 HydrophobicContact CD2-CD 4.09Å; F9-K21 HydrophobicContact CG-CB 4.31Å; K21-D32 WeakPolarHBondContact CE-OD1 3.4Å; K21-D32 WeakPolarHBondContact CE-OD2 3.3Å; K21-D32 IonicContact NZ-OD1 3.9Å; K21-D32 IonicContact NZ-OD2 3.08Å; K21-D32 PolarHBondContact NZ-OD2 3.08Å; K21-I33 CarbonylContact C-O 3.56Å; K21-I33 WeakPolarHBondContact CA-O 3.48Å; K21-I34 HydrophobicContact CB-CG2 4.03Å; K21-I34 HydrophobicContact CG-CG2 4.21Å
22	F	98.9	Very high	97.8	Very high	1 Å²	1	46 Å²	46	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.9	174.5	-58.9	-90.5	0	0	0	107.8	T5 R6 E20 I33 P120 V122 V127 F129	T5-F22 CarbonylContact O-C 3.52Å; T5-F22 WeakPolarHBondContact O-CA 3.34Å; R6-F22 HydrophobicContact CB-CD1 3.82Å; R6-F22 HydrophobicContact CB-CE1 3.77Å; E20-F22 HydrophobicContact CB-CE2 3.7Å; E20-F22 HydrophobicContact CB-CZ 3.83Å; F22-I33 PolarHBondContact N-O 3.5Å; F22-I33 PolarHBondContact O-N 3.1Å; F22-P120 HydrophobicContact CE1-CB 4Å; F22-P120 HydrophobicContact CE1-CG 4.48Å; F22-P120 HydrophobicContact CE2-CB 3.62Å; F22-P120 HydrophobicContact CE2-CG 4.04Å; F22-P120 HydrophobicContact CZ-CB 3.23Å; F22-P120 HydrophobicContact CZ-CG 3.51Å; F22-V122 HydrophobicContact CD1-CG2 3.96Å; F22-V122 HydrophobicContact CE1-CG2 3.76Å; F22-V127 HydrophobicContact CB-CB 4.34Å; F22-V127 HydrophobicContact CB-CG1 4.07Å; F22-V127 HydrophobicContact CB-CG2 4.49Å; F22-V127 HydrophobicContact CD1-CB 4.31Å; F22-V127 HydrophobicContact CD1-CG2 3.85Å; F22-V127 HydrophobicContact CD2-CG2 4.22Å; F22-V127 HydrophobicContact CE1-CG2 4.17Å; F22-V127 HydrophobicContact CG-CB 4.26Å; F22-V127 HydrophobicContact CG-CG1 4.33Å; F22-V127 HydrophobicContact CG-CG2 3.9Å; F22-F129 AromaticContact CD2-CE1 3.93Å; F22-F129 HydrophobicContact CD2-CE1 3.93Å; F22-F129 AromaticContact CD2-CZ 3.81Å; F22-F129 HydrophobicContact CD2-CZ 3.81Å; F22-F129 AromaticContact CE2-CE1 3.84Å; F22-F129 HydrophobicContact CE2-CE1 3.84Å; F22-F129 HydrophobicContact CE2-CZ 4.22Å
23	Q	98.9	Very high	97.9	Very high	49 Å²	49	45.3 Å²	45.3	23%	0.229	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.4	174.8	178.5	-179.8	-66.7	0	0	108.6	V4 T5 R30 V31 D32	V4-Q23 WeakPolarHBondContact CA-O 3.35Å; T5-Q23 PolarHBondContact N-O 3.19Å; T5-Q23 PolarHBondContact O-N 2.84Å; Q23-R30 HydrophobicContact CG-CG 3.76Å; Q23-V31 CarbonylContact C-O 3.48Å; Q23-V31 WeakPolarHBondContact CA-O 3.43Å; Q23-D32 WeakPolarHBondContact CB-OD1 3.35Å; Q23-D32 VanDerWaalsContact CG-OD1 3.25Å; Q23-D32 WeakPolarHBondContact CG-OD1 3.28Å
24	L	98.9	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.2	169.4	-48.4	-175.5	0	0	0	107.8	V4 R30 V31 I33 L152	V4-L24 HydrophobicContact CB-CD2 4.18Å; V4-L24 HydrophobicContact CG1-CD2 3.74Å; V4-L24 HydrophobicContact CG2-CD2 3.67Å; L24-R30 WeakPolarHBondContact O-CA 3.3Å; L24-V31 HydrophobicContact CB-CB 4.33Å; L24-V31 PolarHBondContact N-O 2.75Å; L24-V31 PolarHBondContact O-N 3.1Å; L24-I33 HydrophobicContact CD1-CD1 3.94Å; L24-I33 HydrophobicContact CG-CD1 4.4Å; L24-L152 HydrophobicContact CB-CB 4.1Å; L24-L152 HydrophobicContact CB-CD2 3.85Å; L24-L152 HydrophobicContact CD1-CB 4.2Å
25	Q	98.8	Very high	98.2	Very high	88 Å²	88	34.9 Å²	34.9	41%	0.411	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.3	-178.4	-176.3	168	-18.4	0	0	111.4	A2 S3	A2-Q25 CarbonylContact C-O 3.6Å; A2-Q25 WeakPolarHBondContact CA-O 3.39Å; A2-Q25 WeakPolarHBondContact CB-O 3.41Å; S3-Q25 PolarHBondContact N-O 3.48Å; S3-Q25 PolarHBondContact O-N 3.17Å; S3-Q25 PolarHBondContact OG-O 3.44Å
26	S	98.6	Very high	98.5	Very high	17 Å²	17	32.3 Å²	32.3	12%	0.119	18%	0.178	C	C	.	.			trans	-105.9	-174.1	166.7	71.2	0	0	0	0	110.1	L28 L29 G154	S26-L28 PolarHBondContact OG-N 3.23Å; S26-L28 VanDerWaalsContact OG-N 3.17Å; S26-L29 PolarHBondContact N-O 3.28Å; S26-L29 PolarHBondContact OG-N 3.33Å; S26-L29 PolarHBondContact OG-O 2.92Å; S26-G154 WeakPolarHBondContact CB-O 3.4Å; S26-G154 PolarHBondContact OG-O 2.84Å
27	D	97.3	Very high	98.7	Very high	111 Å²	111	30.2 Å²	30.2	59%	0.594	16%	0.156	S	C	*	.	S	Bend	trans	-69.2	-21.2	169.9	58.6	-41.6	0	0	0	113.3	K46	D27-K46 PolarHBondContact O-NZ 2.94Å
28	L	98.1	Very high	98.7	Very high	83 Å²	83	29 Å²	29	44%	0.435	14%	0.144	S	C	.	.	S	Bend	trans	-108.6	-34.5	-175.4	-62.7	-179.6	0	0	0	113.9	S26	S26-L28 PolarHBondContact OG-N 3.23Å; S26-L28 VanDerWaalsContact OG-N 3.17Å
29	L	98.7	Very high	98.8	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152	-172.9	-63.8	-178.4	0	0	0	112.8	S26 L43 E44 V45 L152 G155 F339	S26-L29 PolarHBondContact N-O 3.28Å; S26-L29 PolarHBondContact OG-N 3.33Å; S26-L29 PolarHBondContact OG-O 2.92Å; L29-L43 HydrophobicContact CD2-CD2 4.39Å; L29-E44 WeakPolarHBondContact CD2-O 3.13Å; L29-V45 HydrophobicContact CD2-CB 4.15Å; L29-V45 HydrophobicContact CD2-CG1 4.13Å; L29-V45 HydrophobicContact CD2-CG2 3.73Å; L29-L152 HydrophobicContact CB-CD1 4.1Å; L29-L152 HydrophobicContact CB-CD2 4.34Å; L29-L152 HydrophobicContact CD1-CD1 3.88Å; L29-G155 WeakPolarHBondContact CD1-O 3.36Å; L29-F339 HydrophobicContact CD1-CB 4.27Å; L29-F339 HydrophobicContact CD1-CD2 3.77Å; L29-F339 HydrophobicContact CD1-CG 4.37Å; L29-F339 HydrophobicContact CD2-CB 4.04Å; L29-F339 HydrophobicContact CD2-CD2 4.34Å; L29-F339 HydrophobicContact CD2-CG 4.26Å
30	R	98.9	Very high	98.8	Very high	67 Å²	67	26 Å²	26	25%	0.253	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.7	161	-166.6	-176.8	87.2	-143.5	-3.8	109	Q23 L24 D32 L43 E44	Q23-R30 HydrophobicContact CG-CG 3.76Å; L24-R30 WeakPolarHBondContact O-CA 3.3Å; R30-D32 IonicContact NE-OD2 3.57Å; R30-D32 IonicContact NH2-OD2 2.8Å; R30-L43 CarbonylContact O-C 3.51Å; R30-L43 WeakPolarHBondContact O-CA 3.08Å; R30-E44 HydrophobicContact CB-CB 4.14Å; R30-E44 IonicContact CZ-OE1 3.59Å; R30-E44 IonicContact CZ-OE2 2.63Å; R30-E44 VanDerWaalsContact CZ-OE2 3.27Å; R30-E44 PolarHBondContact N-O 2.87Å; R30-E44 IonicContact NE-OE2 3.93Å; R30-E44 IonicContact NH1-OE1 2.7Å; R30-E44 PolarHBondContact NH1-OE1 3.04Å; R30-E44 IonicContact NH1-OE2 2.99Å; R30-E44 PolarHBondContact NH1-OE2 3.37Å; R30-E44 IonicContact NH2-OE1 3.88Å; R30-E44 PolarHBondContact NH2-OE1 2.79Å; R30-E44 IonicContact NH2-OE2 3.93Å; R30-E44 PolarHBondContact O-N 3.38Å
31	V	98.9	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.7	180	-170	0	0	0	0	108.6	Q23 L24 I33 I40 L43 L152 L157	Q23-V31 CarbonylContact C-O 3.48Å; Q23-V31 WeakPolarHBondContact CA-O 3.43Å; L24-V31 HydrophobicContact CB-CB 4.33Å; L24-V31 PolarHBondContact N-O 2.75Å; L24-V31 PolarHBondContact O-N 3.1Å; V31-I33 HydrophobicContact CG1-CD1 4.17Å; V31-I33 HydrophobicContact CG1-CG1 3.92Å; V31-I40 HydrophobicContact CG1-CG2 4.24Å; V31-L43 HydrophobicContact CG2-CG 4.29Å; V31-L152 HydrophobicContact CG2-CD1 4.33Å; V31-L152 HydrophobicContact CG2-CD2 4.17Å; V31-L157 HydrophobicContact CG1-CD1 4.32Å; V31-L157 HydrophobicContact CG1-CD2 3.97Å; V31-L157 HydrophobicContact CG2-CD1 4.36Å; V31-L157 HydrophobicContact CG2-CD2 4.3Å
32	D	98.9	Very high	98.8	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.7	177.1	-72.8	-27.5	0	0	0	109.8	K21 Q23 R30 I40 T41 A42	K21-D32 WeakPolarHBondContact CE-OD1 3.4Å; K21-D32 WeakPolarHBondContact CE-OD2 3.3Å; K21-D32 IonicContact NZ-OD1 3.9Å; K21-D32 IonicContact NZ-OD2 3.08Å; K21-D32 PolarHBondContact NZ-OD2 3.08Å; Q23-D32 WeakPolarHBondContact CB-OD1 3.35Å; Q23-D32 VanDerWaalsContact CG-OD1 3.25Å; Q23-D32 WeakPolarHBondContact CG-OD1 3.28Å; R30-D32 IonicContact NE-OD2 3.57Å; R30-D32 IonicContact NH2-OD2 2.8Å; D32-I40 CarbonylContact O-C 3.46Å; D32-I40 WeakPolarHBondContact O-CA 3.32Å; D32-T41 VanDerWaalsContact CB-OG1 3.3Å; D32-T41 WeakPolarHBondContact CB-OG1 3.46Å; D32-T41 PolarHBondContact O-N 3.03Å; D32-T41 PolarHBondContact O-OG1 2.84Å; D32-A42 HydrophobicContact CB-CB 3.94Å; D32-A42 PolarHBondContact N-O 2.88Å
33	I	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.4	-175.8	-46.5	171.3	0	0	0	109.1	K21 F22 L24 V31 T39 I40 V127 F129 Y150	K21-I33 CarbonylContact C-O 3.56Å; K21-I33 WeakPolarHBondContact CA-O 3.48Å; F22-I33 PolarHBondContact N-O 3.5Å; F22-I33 PolarHBondContact O-N 3.1Å; L24-I33 HydrophobicContact CD1-CD1 3.94Å; L24-I33 HydrophobicContact CG-CD1 4.4Å; V31-I33 HydrophobicContact CG1-CD1 4.17Å; V31-I33 HydrophobicContact CG1-CG1 3.92Å; I33-T39 CarbonylContact C-O 3.59Å; I33-T39 VanDerWaalsContact CA-O 3.26Å; I33-T39 WeakPolarHBondContact CA-O 3.42Å; I33-I40 HydrophobicContact CG1-CG1 4.37Å; I33-V127 HydrophobicContact CD1-CG1 4.15Å; I33-F129 HydrophobicContact CB-CZ 4.45Å; I33-F129 HydrophobicContact CG2-CE2 3.62Å; I33-F129 HydrophobicContact CG2-CZ 3.79Å; I33-Y150 HydrophobicContact CD1-CD1 3.82Å; I33-Y150 HydrophobicContact CD1-CD2 3.94Å; I33-Y150 HydrophobicContact CD1-CG 3.5Å; I33-Y150 VanDerWaalsContact CD1-CG 3.5Å; I33-Y150 HydrophobicContact CG2-CD2 4.35Å; I33-Y150 HydrophobicContact CG2-CE2 4.18Å
34	I	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	152.6	177.3	63.1	172.4	0	0	0	112.3	F9 V19 E20 K21 W36 C38 T39 T41 L62 Y65	F9-I34 HydrophobicContact CB-CG2 4.2Å; F9-I34 HydrophobicContact CD1-CB 4.36Å; F9-I34 HydrophobicContact CD1-CD1 4.02Å; F9-I34 HydrophobicContact CD1-CG2 3.65Å; F9-I34 HydrophobicContact CD2-CG2 4.09Å; F9-I34 HydrophobicContact CE1-CD1 3.85Å; F9-I34 HydrophobicContact CE1-CG2 3.99Å; F9-I34 HydrophobicContact CE2-CG2 4.42Å; F9-I34 HydrophobicContact CG-CG2 3.7Å; F9-I34 HydrophobicContact CZ-CG2 4.38Å; V19-I34 HydrophobicContact CG1-CB 3.94Å; V19-I34 HydrophobicContact CG1-CD1 4.32Å; E20-I34 CarbonylContact O-C 3.55Å; E20-I34 WeakPolarHBondContact O-CA 3.47Å; K21-I34 HydrophobicContact CB-CG2 4.03Å; K21-I34 HydrophobicContact CG-CG2 4.21Å; I34-W36 HydrophobicContact CD1-CB 4.05Å; I34-W36 HydrophobicContact CG1-CB 4.39Å; I34-W36 PolarHBondContact O-N 3.44Å; I34-C38 CarbonylContact O-C 3.55Å; I34-C38 WeakPolarHBondContact O-CA 3.36Å; I34-T39 PolarHBondContact N-O 3.31Å; I34-T39 PolarHBondContact O-N 2.94Å; I34-T41 HydrophobicContact CB-CG2 4.25Å; I34-T41 HydrophobicContact CD1-CG2 3.82Å; I34-T41 HydrophobicContact CG1-CG2 3.71Å; I34-T41 HydrophobicContact CG2-CG2 3.65Å; I34-L62 HydrophobicContact CD1-CD1 4.5Å; I34-Y65 HydrophobicContact CD1-CD2 4.22Å; I34-Y65 HydrophobicContact CD1-CE2 4.42Å
35	S	98.9	Very high	98.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.014	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.1	178.7	58.1	0	0	0	0	114.1	E20 G37 L117 W118	E20-S35 PolarHBondContact N-OG 2.71Å; E20-S35 PolarHBondContact O-N 3.1Å; S35-G37 PolarHBondContact O-N 2.86Å; S35-L117 WeakPolarHBondContact OG-CD1 3.49Å; S35-W118 WeakPolarHBondContact O-CB 3.43Å; S35-W118 PolarHBondContact O-N 3.03Å
36	W	98.9	Very high	98.8	Very high	22 Å²	22	22.2 Å²	22.2	8%	0.083	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-78.8	115.6	169.6	-179.2	-101.2	0	0	0	110.2	L12 V19 I34 C38 T39 L62 L66 K115 V116 L117	L12-W36 HydrophobicContact CD1-CE3 3.65Å; L12-W36 HydrophobicContact CD1-CZ3 3.5Å; L12-W36 VanDerWaalsContact CD1-CZ3 3.5Å; L12-W36 HydrophobicContact CD2-CD2 4.01Å; L12-W36 HydrophobicContact CD2-CE3 3.56Å; L12-W36 HydrophobicContact CD2-CH2 3.92Å; L12-W36 HydrophobicContact CD2-CZ2 4.36Å; L12-W36 HydrophobicContact CD2-CZ3 3.51Å; L12-W36 HydrophobicContact CG-CE3 4.2Å; L12-W36 HydrophobicContact CG-CZ3 4.16Å; V19-W36 HydrophobicContact CG1-CB 3.82Å; V19-W36 HydrophobicContact CG2-CB 4Å; I34-W36 HydrophobicContact CD1-CB 4.05Å; I34-W36 HydrophobicContact CG1-CB 4.39Å; I34-W36 PolarHBondContact O-N 3.44Å; W36-C38 PolarHBondContact O-N 2.8Å; W36-C38 VanDerWaalsContact O-N 3.08Å; W36-T39 WeakPolarHBondContact O-CB 3.41Å; W36-T39 PolarHBondContact O-N 3.11Å; W36-T39 PolarHBondContact O-OG1 3.27Å; W36-L62 HydrophobicContact CB-CD1 4.26Å; W36-L62 HydrophobicContact CG-CD1 4.26Å; W36-L66 HydrophobicContact CD2-CD2 4.45Å; W36-L66 HydrophobicContact CH2-CD2 4.32Å; W36-L66 HydrophobicContact CZ2-CD2 3.62Å; W36-K115 HydrophobicContact CH2-CB 4.48Å; W36-K115 WeakPolarHBondContact CH2-O 3.4Å; W36-K115 HydrophobicContact CZ2-CB 3.71Å; W36-K115 VanDerWaalsContact CZ2-O 3.28Å; W36-K115 WeakPolarHBondContact CZ2-O 3.29Å; W36-V116 VanDerWaalsContact CE3-C 3.43Å; W36-L117 HydrophobicContact CE3-CB 4.23Å; W36-L117 HydrophobicContact CZ3-CB 4.48Å
37	G	98.8	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	11	179.1	0	0	0	0	0	115.7	S35 T39 V75 F113 D114 V116	S35-G37 PolarHBondContact O-N 2.86Å; G37-T39 PolarHBondContact O-N 3.46Å; G37-V75 PolarHBondContact O-N 2.86Å; G37-F113 WeakPolarHBondContact CA-O 3.35Å; G37-D114 VanDerWaalsContact CA-O 3.26Å; G37-D114 WeakPolarHBondContact CA-O 3.24Å; G37-V116 PolarHBondContact N-O 3.09Å
38	C	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	38.2	-171.2	-58.6	0	0	0	0	112.2	I34 W36 V75 F129 Y150	I34-C38 CarbonylContact O-C 3.55Å; I34-C38 WeakPolarHBondContact O-CA 3.36Å; W36-C38 PolarHBondContact O-N 2.8Å; W36-C38 VanDerWaalsContact O-N 3.08Å; C38-V75 HydrophobicContact CB-CB 4.06Å; C38-V75 HydrophobicContact CB-CG2 3.49Å; C38-V75 VanDerWaalsContact CB-CG2 3.49Å; C38-F129 HydrophobicContact CB-CD2 4.06Å; C38-F129 HydrophobicContact CB-CG 4.37Å; C38-F129 WeakPolarHBondContact SG-CB 3.33Å; C38-F129 VanDerWaalsContact SG-CG 3.5Å; C38-Y150 HydrophobicContact CB-CE2 4.03Å; C38-Y150 PolarHBondContact O-OH 3.29Å
39	T	99	Very high	98.8	Very high	2 Å²	2	26 Å²	26	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.9	-163.3	-57.4	0	0	0	0	111.8	I33 I34 W36 G37 T41 Y65 F72 G73 A74	I33-T39 CarbonylContact C-O 3.59Å; I33-T39 VanDerWaalsContact CA-O 3.26Å; I33-T39 WeakPolarHBondContact CA-O 3.42Å; I34-T39 PolarHBondContact N-O 3.31Å; I34-T39 PolarHBondContact O-N 2.94Å; W36-T39 WeakPolarHBondContact O-CB 3.41Å; W36-T39 PolarHBondContact O-N 3.11Å; W36-T39 PolarHBondContact O-OG1 3.27Å; G37-T39 PolarHBondContact O-N 3.46Å; T39-T41 HydrophobicContact CG2-CG2 4.27Å; T39-T41 PolarHBondContact O-N 3.03Å; T39-Y65 HydrophobicContact CG2-CD1 3.86Å; T39-Y65 HydrophobicContact CG2-CE1 3.48Å; T39-Y65 VanDerWaalsContact CG2-CE1 3.48Å; T39-F72 WeakPolarHBondContact CG2-O 3.18Å; T39-G73 WeakPolarHBondContact CA-O 3.43Å; T39-A74 HydrophobicContact CG2-CB 4.49Å
40	I	98.9	Very high	98.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.3	167.9	-61.6	167.2	0	0	0	107.7	V31 D32 I33 V56 G73 Y150 L157	V31-I40 HydrophobicContact CG1-CG2 4.24Å; D32-I40 CarbonylContact O-C 3.46Å; D32-I40 WeakPolarHBondContact O-CA 3.32Å; I33-I40 HydrophobicContact CG1-CG1 4.37Å; I40-V56 HydrophobicContact CG2-CG2 4.35Å; I40-G73 PolarHBondContact N-O 2.78Å; I40-Y150 HydrophobicContact CD1-CE1 4Å; I40-Y150 HydrophobicContact CG1-CE1 4.13Å; I40-L157 HydrophobicContact CD1-CD2 4.1Å
41	T	98.9	Very high	98.7	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-25.8	-174.8	59.5	0	0	0	0	113.2	D32 I34 T39 Y65 K293	D32-T41 VanDerWaalsContact CB-OG1 3.3Å; D32-T41 WeakPolarHBondContact CB-OG1 3.46Å; D32-T41 PolarHBondContact O-N 3.03Å; D32-T41 PolarHBondContact O-OG1 2.84Å; I34-T41 HydrophobicContact CB-CG2 4.25Å; I34-T41 HydrophobicContact CD1-CG2 3.82Å; I34-T41 HydrophobicContact CG1-CG2 3.71Å; I34-T41 HydrophobicContact CG2-CG2 3.65Å; T39-T41 HydrophobicContact CG2-CG2 4.27Å; T39-T41 PolarHBondContact O-N 3.03Å; T41-Y65 WeakPolarHBondContact CA-OH 3.44Å; T41-Y65 WeakPolarHBondContact CB-OH 3.4Å; T41-Y65 HydrophobicContact CG2-CE2 3.88Å; T41-Y65 WeakPolarHBondContact CG2-OH 3.23Å; T41-K293 PolarHBondContact O-NZ 2.62Å
42	A	98.9	Very high	98.7	Very high	7 Å²	7	34 Å²	34	6%	0.058	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	150.8	172.5	0	0	0	0	0	110.8	D32 D54	D32-A42 HydrophobicContact CB-CB 3.94Å; D32-A42 PolarHBondContact N-O 2.88Å; A42-D54 WeakPolarHBondContact CA-OD1 3.38Å
43	L	98.9	Very high	98.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	98.1	177.8	-160.2	163.4	0	0	0	108.3	L29 R30 V31 V45 D54 V55 V56 L157 F179 F339	L29-L43 HydrophobicContact CD2-CD2 4.39Å; R30-L43 CarbonylContact O-C 3.51Å; R30-L43 WeakPolarHBondContact O-CA 3.08Å; V31-L43 HydrophobicContact CG2-CG 4.29Å; L43-V45 HydrophobicContact CD2-CG2 3.27Å; L43-D54 PolarHBondContact N-OD1 3.04Å; L43-D54 CarbonylContact O-C 3.46Å; L43-D54 WeakPolarHBondContact O-CA 3.42Å; L43-V55 HydrophobicContact CB-CG2 4.44Å; L43-V55 HydrophobicContact CD2-CG2 3.92Å; L43-V55 WeakPolarHBondContact O-CG2 3.47Å; L43-V55 PolarHBondContact O-N 2.83Å; L43-V56 HydrophobicContact CB-CB 4.42Å; L43-V56 HydrophobicContact CB-CG1 3.79Å; L43-V56 HydrophobicContact CB-CG2 3.78Å; L43-V56 HydrophobicContact CD1-CG1 4.29Å; L43-L157 HydrophobicContact CD1-CD2 3.98Å; L43-F179 HydrophobicContact CD1-CE1 4.29Å; L43-F339 HydrophobicContact CD1-CE2 3.79Å; L43-F339 HydrophobicContact CD1-CZ 3.83Å; L43-F339 HydrophobicContact CD2-CD2 4.21Å; L43-F339 HydrophobicContact CD2-CE1 4.21Å; L43-F339 HydrophobicContact CD2-CE2 3.67Å; L43-F339 HydrophobicContact CD2-CZ 3.65Å; L43-F339 HydrophobicContact CG-CE2 4.39Å; L43-F339 HydrophobicContact CG-CZ 4.43Å
44	E	98.9	Very high	98.7	Very high	50 Å²	50	36.8 Å²	36.8	23%	0.234	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.3	-178.7	-65.4	-168.8	170.3	0	0	112.3	L29 R30 A52 S53 D54	L29-E44 WeakPolarHBondContact CD2-O 3.13Å; R30-E44 HydrophobicContact CB-CB 4.14Å; R30-E44 IonicContact CZ-OE1 3.59Å; R30-E44 IonicContact CZ-OE2 2.63Å; R30-E44 VanDerWaalsContact CZ-OE2 3.27Å; R30-E44 PolarHBondContact N-O 2.87Å; R30-E44 IonicContact NE-OE2 3.93Å; R30-E44 IonicContact NH1-OE1 2.7Å; R30-E44 PolarHBondContact NH1-OE1 3.04Å; R30-E44 IonicContact NH1-OE2 2.99Å; R30-E44 PolarHBondContact NH1-OE2 3.37Å; R30-E44 IonicContact NH2-OE1 3.88Å; R30-E44 PolarHBondContact NH2-OE1 2.79Å; R30-E44 IonicContact NH2-OE2 3.93Å; R30-E44 PolarHBondContact O-N 3.38Å; E44-A52 HydrophobicContact CB-CB 4.31Å; E44-S53 WeakPolarHBondContact CA-O 3.3Å; E44-D54 HydrophobicContact CG-CB 4.24Å
45	V	98.8	Very high	98.7	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.4	-177.1	-171.8	0	0	0	0	110.2	L29 L43 A52 S53 V55 R267 F339	L29-V45 HydrophobicContact CD2-CB 4.15Å; L29-V45 HydrophobicContact CD2-CG1 4.13Å; L29-V45 HydrophobicContact CD2-CG2 3.73Å; L43-V45 HydrophobicContact CD2-CG2 3.27Å; V45-A52 WeakPolarHBondContact O-CA 3.38Å; V45-S53 PolarHBondContact N-O 2.99Å; V45-S53 PolarHBondContact O-N 2.9Å; V45-V55 HydrophobicContact CB-CG1 4.12Å; V45-V55 HydrophobicContact CB-CG2 4.43Å; V45-V55 HydrophobicContact CG2-CB 4.48Å; V45-V55 HydrophobicContact CG2-CG1 4.12Å; V45-V55 HydrophobicContact CG2-CG2 3.53Å; V45-R267 HydrophobicContact CG1-CG 4.24Å; V45-R267 PolarHBondContact O-NE 3.34Å; V45-R267 PolarHBondContact O-NH2 2.89Å; V45-F339 HydrophobicContact CB-CD1 4.43Å; V45-F339 HydrophobicContact CG1-CB 4.02Å; V45-F339 HydrophobicContact CG1-CD1 3.95Å; V45-F339 HydrophobicContact CG1-CG 4.24Å; V45-F339 HydrophobicContact CG2-CD1 3.61Å; V45-F339 HydrophobicContact CG2-CE1 3.83Å; V45-F339 HydrophobicContact CG2-CG 3.98Å; V45-F339 HydrophobicContact CG2-CZ 4.39Å
46	K	98.8	Very high	98.7	Very high	85 Å²	85	36.7 Å²	36.7	37%	0.37	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	142.5	177.8	-67.3	175.8	178.4	167.5	0	112.1	D27 R51 A52 R267	D27-K46 PolarHBondContact O-NZ 2.94Å; K46-R51 CarbonylContact C-O 3.55Å; K46-R51 WeakPolarHBondContact CA-O 3.48Å; K46-A52 HydrophobicContact CG-CB 4.4Å; K46-R267 WeakPolarHBondContact O-CG 3.43Å
47	D	98.7	Very high	98.7	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.123	18%	0.182	C	C	.	.			trans	-86.5	-176.1	166	69.1	10.6	0	0	0	111.6	Q49 G50 R51 S265	D47-Q49 PolarHBondContact O-N 3.39Å; D47-Q49 VanDerWaalsContact O-N 3.13Å; D47-Q49 VanDerWaalsContact OD1-C 3.3Å; D47-Q49 VanDerWaalsContact OD1-CA 3.28Å; D47-Q49 WeakPolarHBondContact OD1-CA 3.26Å; D47-Q49 WeakPolarHBondContact OD1-CB 3.21Å; D47-Q49 PolarHBondContact OD1-N 3.37Å; D47-G50 PolarHBondContact O-N 3.4Å; D47-G50 PolarHBondContact OD1-N 2.91Å; D47-R51 PolarHBondContact N-O 3.41Å; D47-R51 PolarHBondContact OD1-N 3.44Å; D47-S265 WeakPolarHBondContact CB-O 3.5Å
48	R	97.9	Very high	98.7	Very high	132 Å²	132	35.7 Å²	35.7	50%	0.498	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25	174.1	-68.4	175.6	-176.2	137.2	4.8	114.8	G50 A263 S265 V341 A342	R48-G50 VanDerWaalsContact C-N 3.33Å; R48-A263 PolarHBondContact NH1-O 3.45Å; R48-A263 PolarHBondContact NH2-O 2.99Å; R48-S265 PolarHBondContact N-O 2.82Å; R48-S265 VanDerWaalsContact N-O 3.16Å; R48-V341 HydrophobicContact CB-CG1 4.16Å; R48-V341 HydrophobicContact CG-CG1 3.4Å; R48-A342 PolarHBondContact NE-O 3.18Å; R48-A342 PolarHBondContact NH2-O 2.64Å
49	Q	97.9	Very high	98.7	Very high	134 Å²	134	36 Å²	36	63%	0.626	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	5.1	179.8	-58.7	-178.5	42.3	0	0	111.8	D47 R51	D47-Q49 PolarHBondContact O-N 3.39Å; D47-Q49 VanDerWaalsContact O-N 3.13Å; D47-Q49 VanDerWaalsContact OD1-C 3.3Å; D47-Q49 VanDerWaalsContact OD1-CA 3.28Å; D47-Q49 WeakPolarHBondContact OD1-CA 3.26Å; D47-Q49 WeakPolarHBondContact OD1-CB 3.21Å; D47-Q49 PolarHBondContact OD1-N 3.37Å; Q49-R51 HydrophobicContact CB-CG 4.35Å; Q49-R51 VanDerWaalsContact CD-NH1 3.28Å; Q49-R51 PolarHBondContact O-N 2.86Å
50	G	97.8	Very high	98.6	Very high	44 Å²	44	39 Å²	39	45%	0.454	21%	0.209	S	C	.	.	S	Bend	trans	76	8.1	-176.8	0	0	0	0	0	114	D47 R48 A52	D47-G50 PolarHBondContact O-N 3.4Å; D47-G50 PolarHBondContact OD1-N 2.91Å; R48-G50 VanDerWaalsContact C-N 3.33Å; G50-A52 PolarHBondContact O-N 2.86Å
51	R	98.3	Very high	98.6	Very high	148 Å²	148	45.2 Å²	45.2	56%	0.558	24%	0.237	S	C	*	.			trans	-79.5	117.8	178.1	-58.4	-174	-177.3	114	10.1	110	K46 D47 Q49 R267	K46-R51 CarbonylContact C-O 3.55Å; K46-R51 WeakPolarHBondContact CA-O 3.48Å; D47-R51 PolarHBondContact N-O 3.41Å; D47-R51 PolarHBondContact OD1-N 3.44Å; Q49-R51 HydrophobicContact CB-CG 4.35Å; Q49-R51 VanDerWaalsContact CD-NH1 3.28Å; Q49-R51 PolarHBondContact O-N 2.86Å; R51-R267 PolarHBondContact O-NH2 3.13Å
52	A	98.5	Very high	98.6	Very high	52 Å²	52	45 Å²	45	43%	0.43	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.3	174.1	0	0	0	0	0	110.4	E44 V45 K46 G50	E44-A52 HydrophobicContact CB-CB 4.31Å; V45-A52 WeakPolarHBondContact O-CA 3.38Å; K46-A52 HydrophobicContact CG-CB 4.4Å; G50-A52 PolarHBondContact O-N 2.86Å
53	S	98.8	Very high	98.6	Very high	40 Å²	40	49.6 Å²	49.6	28%	0.28	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.2	165.4	-55.1	0	0	0	0	108.6	E44 V45 V55 R267	E44-S53 WeakPolarHBondContact CA-O 3.3Å; V45-S53 PolarHBondContact N-O 2.99Å; V45-S53 PolarHBondContact O-N 2.9Å; S53-V55 PolarHBondContact O-N 2.93Å; S53-R267 PolarHBondContact OG-NH2 2.89Å
54	D	98.9	Very high	98.6	Very high	20 Å²	20	50.2 Å²	50.2	11%	0.107	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	118.4	168.1	-179.8	15	0	0	0	109.1	A42 L43 E44 V56 G183 Q184 K293	A42-D54 WeakPolarHBondContact CA-OD1 3.38Å; L43-D54 PolarHBondContact N-OD1 3.04Å; L43-D54 CarbonylContact O-C 3.46Å; L43-D54 WeakPolarHBondContact O-CA 3.42Å; E44-D54 HydrophobicContact CG-CB 4.24Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.44Å; D54-V56 PolarHBondContact OD1-N 3.27Å; D54-G183 WeakPolarHBondContact O-CA 3.33Å; D54-Q184 HydrophobicContact CB-CG 4.17Å; D54-Q184 WeakPolarHBondContact O-CG 3.34Å; D54-Q184 PolarHBondContact O-N 2.94Å; D54-Q184 PolarHBondContact OD2-NE2 3.16Å; D54-K293 IonicContact OD1-NZ 2.84Å; D54-K293 WeakPolarHBondContact OD2-CE 2.94Å; D54-K293 IonicContact OD2-NZ 3.48Å; D54-K293 PolarHBondContact OD2-NZ 3.14Å
55	V	98.9	Very high	98.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.			trans	-104.5	8.8	-173.7	-59.7	0	0	0	0	113.2	L43 V45 S53 F179 N180 F339	L43-V55 HydrophobicContact CB-CG2 4.44Å; L43-V55 HydrophobicContact CD2-CG2 3.92Å; L43-V55 WeakPolarHBondContact O-CG2 3.47Å; L43-V55 PolarHBondContact O-N 2.83Å; V45-V55 HydrophobicContact CB-CG1 4.12Å; V45-V55 HydrophobicContact CB-CG2 4.43Å; V45-V55 HydrophobicContact CG2-CB 4.48Å; V45-V55 HydrophobicContact CG2-CG1 4.12Å; V45-V55 HydrophobicContact CG2-CG2 3.53Å; S53-V55 PolarHBondContact O-N 2.93Å; V55-F179 CarbonylContact O-C 3.59Å; V55-F179 VanDerWaalsContact O-CA 3.29Å; V55-F179 WeakPolarHBondContact O-CA 3.49Å; V55-N180 WeakPolarHBondContact CA-O 3.33Å; V55-N180 VanDerWaalsContact CB-O 3.27Å; V55-N180 WeakPolarHBondContact CB-O 3.32Å; V55-N180 PolarHBondContact O-N 3.01Å; V55-F339 HydrophobicContact CG2-CE1 4.09Å; V55-F339 HydrophobicContact CG2-CZ 4.45Å
56	V	98.9	Very high	98.5	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-116.2	139.6	175.5	-65.1	0	0	0	0	111.7	I40 L43 D54 Y178 F179 Q184 K293	I40-V56 HydrophobicContact CG2-CG2 4.35Å; L43-V56 HydrophobicContact CB-CB 4.42Å; L43-V56 HydrophobicContact CB-CG1 3.79Å; L43-V56 HydrophobicContact CB-CG2 3.78Å; L43-V56 HydrophobicContact CD1-CG1 4.29Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.44Å; D54-V56 PolarHBondContact OD1-N 3.27Å; V56-Y178 CarbonylContact C-O 3.47Å; V56-Y178 VanDerWaalsContact CA-O 3.22Å; V56-Y178 WeakPolarHBondContact CA-O 3.45Å; V56-F179 HydrophobicContact CG1-CD1 3.63Å; V56-F179 HydrophobicContact CG1-CE1 3.69Å; V56-Q184 VanDerWaalsContact O-CB 3.29Å; V56-Q184 WeakPolarHBondContact O-CB 3.41Å; V56-K293 PolarHBondContact O-NZ 3.12Å
57	L	98.9	Very high	98.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.27	C	S	.	.			trans	-72.4	152.2	171.5	-46.9	-173.7	0	0	0	109.7	F72 Y178 Q184 L286 Y298 S302	L57-F72 HydrophobicContact CB-CD1 3.8Å; L57-F72 HydrophobicContact CB-CE1 3.5Å; L57-F72 HydrophobicContact CB-CZ 4.39Å; L57-F72 HydrophobicContact CD1-CE1 3.88Å; L57-F72 HydrophobicContact CG-CE1 4.31Å; L57-Y178 HydrophobicContact CD1-CD1 4.38Å; L57-Y178 HydrophobicContact CD1-CG 4.35Å; L57-Y178 PolarHBondContact N-O 3.11Å; L57-Q184 HydrophobicContact CD2-CB 3.9Å; L57-Q184 VanDerWaalsContact CD2-O 3.29Å; L57-Q184 WeakPolarHBondContact CD2-O 3.22Å; L57-L286 HydrophobicContact CD1-CD1 4.12Å; L57-Y298 HydrophobicContact CB-CD1 4.38Å; L57-Y298 HydrophobicContact CB-CD2 4.39Å; L57-Y298 HydrophobicContact CB-CE1 4.1Å; L57-Y298 HydrophobicContact CB-CE2 4.09Å; L57-Y298 HydrophobicContact CD1-CD1 4.08Å; L57-Y298 HydrophobicContact CD1-CG 4.11Å; L57-Y298 HydrophobicContact CD2-CD1 3.77Å; L57-Y298 HydrophobicContact CD2-CE1 3.63Å; L57-Y298 HydrophobicContact CG-CD1 4.29Å; L57-Y298 HydrophobicContact CG-CE1 4.29Å; L57-S302 WeakPolarHBondContact CD1-OG 3.28Å
58	G	98.8	Very high	98.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.			trans	166.1	-161.5	178.2	0	0	0	0	0	112.6	K293 Y298	G58-K293 PolarHBondContact O-N 3.22Å; G58-Y298 PolarHBondContact N-OH 2.83Å; G58-Y298 VanDerWaalsContact N-OH 3.13Å; G58-Y298 WeakPolarHBondContact O-CE2 3.13Å; G58-Y298 PolarHBondContact O-OH 3Å
59	F	98.8	Very high	98.4	Very high	7 Å²	7	55.1 Å²	55.1	3%	0.031	29%	0.29	C	S	.	.			trans	-122.3	152.4	-176.8	-50.1	-78.6	0	0	0	111.6	G64 Y65 Q67 Q69 F72 K291 K293	F59-G64 WeakPolarHBondContact CD2-O 3.49Å; F59-G64 WeakPolarHBondContact CE2-O 3.35Å; F59-G64 VanDerWaalsContact CG-C 3.46Å; F59-G64 VanDerWaalsContact CZ-O 3.3Å; F59-G64 WeakPolarHBondContact CZ-O 3.34Å; F59-Y65 HydrophobicContact CB-CD2 4.04Å; F59-Y65 HydrophobicContact CB-CE2 3.7Å; F59-Y65 AromaticContact CD2-CD1 3.69Å; F59-Y65 HydrophobicContact CD2-CD1 3.69Å; F59-Y65 HydrophobicContact CD2-CD2 4.02Å; F59-Y65 AromaticContact CD2-CE1 3.69Å; F59-Y65 HydrophobicContact CD2-CE1 3.69Å; F59-Y65 HydrophobicContact CD2-CE2 4.04Å; F59-Y65 AromaticContact CD2-CG 3.84Å; F59-Y65 HydrophobicContact CD2-CG 3.84Å; F59-Y65 AromaticContact CD2-CZ 3.86Å; F59-Y65 HydrophobicContact CE2-CD1 4.22Å; F59-Y65 HydrophobicContact CE2-CE1 4.37Å; F59-Y65 HydrophobicContact CG-CE2 4.39Å; F59-Y65 PolarHBondContact N-OH 3.47Å; F59-Y65 WeakPolarHBondContact O-CE2 3.31Å; F59-Y65 PolarHBondContact O-OH 2.88Å; F59-Q67 VanDerWaalsContact CE1-NE2 3.3Å; F59-Q69 HydrophobicContact CE2-CB 3.96Å; F59-Q69 HydrophobicContact CE2-CG 3.8Å; F59-Q69 HydrophobicContact CZ-CB 3.77Å; F59-Q69 HydrophobicContact CZ-CG 4.13Å; F59-F72 HydrophobicContact CE2-CB 4.32Å; F59-F72 AromaticContact CE2-CD2 3.49Å; F59-F72 HydrophobicContact CE2-CD2 3.49Å; F59-F72 VanDerWaalsContact CE2-CD2 3.49Å; F59-F72 HydrophobicContact CE2-CE2 4.18Å; F59-F72 HydrophobicContact CE2-CG 4.27Å; F59-F72 AromaticContact CZ-CD2 3.56Å; F59-F72 HydrophobicContact CZ-CD2 3.56Å; F59-F72 AromaticContact CZ-CE2 3.76Å; F59-F72 HydrophobicContact CZ-CE2 3.76Å; F59-K291 VanDerWaalsContact CD1-O 3.27Å; F59-K291 WeakPolarHBondContact CD1-O 3.41Å; F59-K291 WeakPolarHBondContact CE1-O 3.21Å; F59-K293 VanDerWaalsContact C-CG 3.47Å
60	A	98.1	Very high	98.4	Very high	65 Å²	65	50.4 Å²	50.4	54%	0.537	27%	0.271	S	S	.	.	S	Bend	trans	-76.2	-27.3	178.1	0	0	0	0	0	112.6	F9 K293	F9-A60 WeakPolarHBondContact CE2-O 3.24Å; F9-A60 WeakPolarHBondContact CZ-O 3.42Å; A60-K293 HydrophobicContact CB-CG 4.31Å
61	E	98.4	Very high	98.5	Very high	130 Å²	130	50.1 Å²	50.1	61%	0.607	26%	0.256	S	S	*	.	S	Bend	trans	-129.5	160.4	-171.6	-60.9	176.6	178.4	0	0	110.7	E63 G64 Y65	E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 WeakPolarHBondContact CB-OE2 3.34Å; E61-E63 PolarHBondContact O-N 3.48Å; E61-G64 PolarHBondContact O-N 2.97Å; E61-Y65 WeakPolarHBondContact O-CD2 3.42Å
62	L	98.7	Very high	98.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-39.7	-177.2	177.7	59.4	0	0	0	112	F9 L12 V19 I34 W36 G64 Y65 L66	F9-L62 HydrophobicContact CD1-CB 3.97Å; F9-L62 HydrophobicContact CD1-CD1 4.46Å; F9-L62 HydrophobicContact CE1-CB 3.92Å; L12-L62 HydrophobicContact CD2-CD2 4.19Å; V19-L62 HydrophobicContact CB-CD1 4.4Å; V19-L62 HydrophobicContact CB-CD2 4.06Å; V19-L62 HydrophobicContact CG1-CD1 4.32Å; V19-L62 HydrophobicContact CG2-CD1 3.95Å; V19-L62 HydrophobicContact CG2-CD2 3.58Å; V19-L62 HydrophobicContact CG2-CG 4.44Å; I34-L62 HydrophobicContact CD1-CD1 4.5Å; W36-L62 HydrophobicContact CB-CD1 4.26Å; W36-L62 HydrophobicContact CG-CD1 4.26Å; L62-G64 PolarHBondContact O-N 2.64Å; L62-G64 VanDerWaalsContact O-N 3.16Å; L62-Y65 WeakPolarHBondContact O-CA 3.49Å; L62-Y65 WeakPolarHBondContact O-CB 3.42Å; L62-Y65 PolarHBondContact O-N 3.15Å; L62-L66 HydrophobicContact CD1-CD2 4.37Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CD2-CD1 4.44Å; L62-L66 HydrophobicContact CG-CD1 4.05Å; L62-L66 HydrophobicContact CG-CG 4.15Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 2.96Å; L62-L66 VanDerWaalsContact O-N 3.17Å
63	E	98.4	Very high	98.5	Very high	105 Å²	105	40.6 Å²	40.6	49%	0.491	21%	0.209	S	C	.	.	H	α-helix	trans	-56.3	-34.5	-178.4	-67.2	69.3	-156.1	0	0	111.6	E61 Y65 L66 Q67	E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 WeakPolarHBondContact CB-OE2 3.34Å; E61-E63 PolarHBondContact O-N 3.48Å; E63-Y65 VanDerWaalsContact C-N 3.27Å; E63-Y65 PolarHBondContact O-N 3.22Å; E63-L66 PolarHBondContact O-N 2.99Å; E63-L66 VanDerWaalsContact O-N 3.16Å; E63-Q67 PolarHBondContact O-N 2.91Å; E63-Q67 VanDerWaalsContact O-N 3.12Å
64	G	98.4	Very high	98.5	Very high	13 Å²	13	38.8 Å²	38.8	13%	0.134	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-28.7	174.8	0	0	0	0	0	113.6	F59 E61 L62 Q67	F59-G64 WeakPolarHBondContact CD2-O 3.49Å; F59-G64 WeakPolarHBondContact CE2-O 3.35Å; F59-G64 VanDerWaalsContact CG-C 3.46Å; F59-G64 VanDerWaalsContact CZ-O 3.3Å; F59-G64 WeakPolarHBondContact CZ-O 3.34Å; E61-G64 PolarHBondContact O-N 2.97Å; L62-G64 PolarHBondContact O-N 2.64Å; L62-G64 VanDerWaalsContact O-N 3.16Å; G64-Q67 WeakPolarHBondContact O-CG 3.49Å; G64-Q67 PolarHBondContact O-NE2 2.86Å
65	Y	98.7	Very high	98.5	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-85	-21	173.6	-64.9	-82.6	0	0	0	113	F9 I34 T39 T41 F59 E61 L62 E63 Q69 F72	F9-Y65 HydrophobicContact CE1-CD2 4.42Å; F9-Y65 HydrophobicContact CE1-CE2 4.42Å; F9-Y65 HydrophobicContact CZ-CE2 4.39Å; I34-Y65 HydrophobicContact CD1-CD2 4.22Å; I34-Y65 HydrophobicContact CD1-CE2 4.42Å; T39-Y65 HydrophobicContact CG2-CD1 3.86Å; T39-Y65 HydrophobicContact CG2-CE1 3.48Å; T39-Y65 VanDerWaalsContact CG2-CE1 3.48Å; T41-Y65 WeakPolarHBondContact CA-OH 3.44Å; T41-Y65 WeakPolarHBondContact CB-OH 3.4Å; T41-Y65 HydrophobicContact CG2-CE2 3.88Å; T41-Y65 WeakPolarHBondContact CG2-OH 3.23Å; F59-Y65 HydrophobicContact CB-CD2 4.04Å; F59-Y65 HydrophobicContact CB-CE2 3.7Å; F59-Y65 AromaticContact CD2-CD1 3.69Å; F59-Y65 HydrophobicContact CD2-CD1 3.69Å; F59-Y65 HydrophobicContact CD2-CD2 4.02Å; F59-Y65 AromaticContact CD2-CE1 3.69Å; F59-Y65 HydrophobicContact CD2-CE1 3.69Å; F59-Y65 HydrophobicContact CD2-CE2 4.04Å; F59-Y65 AromaticContact CD2-CG 3.84Å; F59-Y65 HydrophobicContact CD2-CG 3.84Å; F59-Y65 AromaticContact CD2-CZ 3.86Å; F59-Y65 HydrophobicContact CE2-CD1 4.22Å; F59-Y65 HydrophobicContact CE2-CE1 4.37Å; F59-Y65 HydrophobicContact CG-CE2 4.39Å; F59-Y65 PolarHBondContact N-OH 3.47Å; F59-Y65 WeakPolarHBondContact O-CE2 3.31Å; F59-Y65 PolarHBondContact O-OH 2.88Å; E61-Y65 WeakPolarHBondContact O-CD2 3.42Å; L62-Y65 WeakPolarHBondContact O-CA 3.49Å; L62-Y65 WeakPolarHBondContact O-CB 3.42Å; L62-Y65 PolarHBondContact O-N 3.15Å; E63-Y65 VanDerWaalsContact C-N 3.27Å; E63-Y65 PolarHBondContact O-N 3.22Å; Y65-Q69 PolarHBondContact O-NE2 2.79Å; Y65-F72 HydrophobicContact CE1-CB 4.35Å
66	L	98.4	Very high	98.5	Very high	64 Å²	64	37.9 Å²	37.9	34%	0.335	19%	0.192	S	C	.	.	H	α-helix	trans	-84.8	-23.8	179.7	-60.4	-177.6	0	0	0	113.6	L12 P13 W36 L62 E63	L12-L66 HydrophobicContact CD2-CD1 4.36Å; L12-L66 HydrophobicContact CD2-CD2 3.85Å; P13-L66 HydrophobicContact CG-CD1 4.37Å; W36-L66 HydrophobicContact CD2-CD2 4.45Å; W36-L66 HydrophobicContact CH2-CD2 4.32Å; W36-L66 HydrophobicContact CZ2-CD2 3.62Å; L62-L66 HydrophobicContact CD1-CD2 4.37Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CD2-CD1 4.44Å; L62-L66 HydrophobicContact CG-CD1 4.05Å; L62-L66 HydrophobicContact CG-CG 4.15Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 2.96Å; L62-L66 VanDerWaalsContact O-N 3.17Å; E63-L66 PolarHBondContact O-N 2.99Å; E63-L66 VanDerWaalsContact O-N 3.16Å
67	Q	97.5	Very high	98.5	Very high	89 Å²	89	37.8 Å²	37.8	42%	0.416	19%	0.191	S	C	.	.	S	Bend	trans	-67.7	172.2	171.2	64.7	179.5	-9.1	0	0	111.7	F59 E63 G64 Q69	F59-Q67 VanDerWaalsContact CE1-NE2 3.3Å; E63-Q67 PolarHBondContact O-N 2.91Å; E63-Q67 VanDerWaalsContact O-N 3.12Å; G64-Q67 WeakPolarHBondContact O-CG 3.49Å; G64-Q67 PolarHBondContact O-NE2 2.86Å; Q67-Q69 WeakPolarHBondContact O-CG 3.4Å; Q67-Q69 PolarHBondContact O-N 3.13Å; Q67-Q69 VanDerWaalsContact O-N 3.09Å
68	K	97.1	Very high	98.5	Very high	205 Å²	205	38 Å²	38	89%	0.891	19%	0.192	S	C	*	.	S	Bend	trans	-67.8	109.3	172.4	-174.2	178.9	179.4	-177.3	0	109.9
69	Q	98.3	Very high	98.5	Very high	32 Å²	32	38.3 Å²	38.3	15%	0.15	19%	0.194	C	C	.	.			trans	-144.8	156.3	-179.2	59.1	77.6	13.5	0	0	110.3	F59 Y65 Q67 Y71 F72 L290	F59-Q69 HydrophobicContact CE2-CB 3.96Å; F59-Q69 HydrophobicContact CE2-CG 3.8Å; F59-Q69 HydrophobicContact CZ-CB 3.77Å; F59-Q69 HydrophobicContact CZ-CG 4.13Å; Y65-Q69 PolarHBondContact O-NE2 2.79Å; Q67-Q69 WeakPolarHBondContact O-CG 3.4Å; Q67-Q69 PolarHBondContact O-N 3.13Å; Q67-Q69 VanDerWaalsContact O-N 3.09Å; Q69-Y71 VanDerWaalsContact C-N 3.3Å; Q69-Y71 PolarHBondContact O-N 2.98Å; Q69-F72 HydrophobicContact CB-CD2 4.18Å; Q69-L290 HydrophobicContact CB-CD1 4.49Å; Q69-L290 HydrophobicContact CB-CD2 4.46Å
70	P	98.1	Very high	98.5	Very high	35 Å²	35	38 Å²	38	23%	0.227	19%	0.193	C	C	.	.	S	Bend	trans	-87.7	57.9	-169.8	38.3	-39.1	0	0	0	113.2	F72 Y178 L286 L290	P70-F72 HydrophobicContact CG-CD2 4.27Å; P70-F72 HydrophobicContact CG-CE2 3.87Å; P70-F72 HydrophobicContact CG-CZ 4.05Å; P70-F72 PolarHBondContact O-N 2.84Å; P70-Y178 WeakPolarHBondContact CB-OH 3.14Å; P70-Y178 VanDerWaalsContact O-CE2 3.29Å; P70-Y178 WeakPolarHBondContact O-CE2 3.5Å; P70-Y178 PolarHBondContact O-OH 3.29Å; P70-L286 HydrophobicContact CG-CD2 3.9Å; P70-L290 HydrophobicContact CG-CD1 4.3Å
71	Y	98.8	Very high	98.5	Very high	39 Å²	39	35.1 Å²	35.1	15%	0.153	17%	0.168	C	C	.	.			trans	63.9	27.1	171.7	-46.4	-85.1	0	0	0	116.6	Q69 G73 A74 I76 L106 H107 D114 H176	Q69-Y71 VanDerWaalsContact C-N 3.3Å; Q69-Y71 PolarHBondContact O-N 2.98Å; Y71-G73 PolarHBondContact O-N 3.01Å; Y71-G73 VanDerWaalsContact O-N 3.08Å; Y71-A74 PolarHBondContact O-N 2.86Å; Y71-I76 HydrophobicContact CD1-CD1 3.86Å; Y71-I76 HydrophobicContact CG-CD1 4.06Å; Y71-L106 HydrophobicContact CE2-CD2 4.43Å; Y71-H107 HydrophobicContact CD1-CB 4.48Å; Y71-H107 AromaticContact CD2-CD2 3.84Å; Y71-H107 HydrophobicContact CE1-CB 3.95Å; Y71-H107 AromaticContact CE2-CD2 3.56Å; Y71-H107 AromaticContact CZ-CD2 3.82Å; Y71-D114 HydrophobicContact CD1-CB 4.47Å; Y71-D114 WeakPolarHBondContact CD1-OD2 3.44Å; Y71-H176 WeakPolarHBondContact O-CB 3.48Å
72	F	98.9	Very high	98.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	115.7	-174.6	-78.6	-65.8	0	0	0	113.9	T39 L57 F59 Y65 Q69 P70 A74 Y178 L286 L290 Y298	T39-F72 WeakPolarHBondContact CG2-O 3.18Å; L57-F72 HydrophobicContact CB-CD1 3.8Å; L57-F72 HydrophobicContact CB-CE1 3.5Å; L57-F72 HydrophobicContact CB-CZ 4.39Å; L57-F72 HydrophobicContact CD1-CE1 3.88Å; L57-F72 HydrophobicContact CG-CE1 4.31Å; F59-F72 HydrophobicContact CE2-CB 4.32Å; F59-F72 AromaticContact CE2-CD2 3.49Å; F59-F72 HydrophobicContact CE2-CD2 3.49Å; F59-F72 VanDerWaalsContact CE2-CD2 3.49Å; F59-F72 HydrophobicContact CE2-CE2 4.18Å; F59-F72 HydrophobicContact CE2-CG 4.27Å; F59-F72 AromaticContact CZ-CD2 3.56Å; F59-F72 HydrophobicContact CZ-CD2 3.56Å; F59-F72 AromaticContact CZ-CE2 3.76Å; F59-F72 HydrophobicContact CZ-CE2 3.76Å; Y65-F72 HydrophobicContact CE1-CB 4.35Å; Q69-F72 HydrophobicContact CB-CD2 4.18Å; P70-F72 HydrophobicContact CG-CD2 4.27Å; P70-F72 HydrophobicContact CG-CE2 3.87Å; P70-F72 HydrophobicContact CG-CZ 4.05Å; P70-F72 PolarHBondContact O-N 2.84Å; F72-A74 PolarHBondContact O-N 2.8Å; F72-A74 VanDerWaalsContact O-N 3.1Å; F72-Y178 AromaticContact CD1-CD2 3.36Å; F72-Y178 HydrophobicContact CD1-CD2 3.36Å; F72-Y178 AromaticContact CD1-CE2 3.77Å; F72-Y178 HydrophobicContact CD1-CE2 3.77Å; F72-Y178 AromaticContact CD1-CG 3.9Å; F72-Y178 HydrophobicContact CD1-CG 3.9Å; F72-Y178 HydrophobicContact CE1-CD1 4.26Å; F72-Y178 AromaticContact CE1-CD2 3.69Å; F72-Y178 HydrophobicContact CE1-CD2 3.69Å; F72-Y178 HydrophobicContact CE1-CE2 4Å; F72-Y178 AromaticContact CE1-CG 3.81Å; F72-Y178 HydrophobicContact CE1-CG 3.81Å; F72-Y178 HydrophobicContact CG-CD2 4.33Å; F72-Y178 HydrophobicContact CG-CE2 4.45Å; F72-L286 HydrophobicContact CE1-CD2 4.39Å; F72-L286 HydrophobicContact CZ-CD2 3.74Å; F72-L290 HydrophobicContact CE2-CD1 3.67Å; F72-L290 HydrophobicContact CZ-CD1 4.25Å; F72-Y298 HydrophobicContact CE1-CD2 4.32Å; F72-Y298 HydrophobicContact CE2-CD2 4.18Å; F72-Y298 AromaticContact CZ-CD2 3.67Å; F72-Y298 HydrophobicContact CZ-CD2 3.67Å; F72-Y298 HydrophobicContact CZ-CE2 4.24Å; F72-Y298 HydrophobicContact CZ-CG 4.41Å
73	G	98.7	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	-2.2	167.1	0	0	0	0	0	115.7	T39 I40 Y71 N175 H176	T39-G73 WeakPolarHBondContact CA-O 3.43Å; I40-G73 PolarHBondContact N-O 2.78Å; Y71-G73 PolarHBondContact O-N 3.01Å; Y71-G73 VanDerWaalsContact O-N 3.08Å; G73-N175 PolarHBondContact O-ND2 3.41Å; G73-N175 PolarHBondContact O-OD1 2.8Å; G73-H176 PolarHBondContact N-O 2.84Å
74	A	98.9	Very high	98.6	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	13%	0.127	C	C	.	.			trans	-86.5	157.6	-167.7	0	0	0	0	0	112.7	T39 Y71 F72 D114 N175 H176	T39-A74 HydrophobicContact CG2-CB 4.49Å; Y71-A74 PolarHBondContact O-N 2.86Å; F72-A74 PolarHBondContact O-N 2.8Å; F72-A74 VanDerWaalsContact O-N 3.1Å; A74-D114 HydrophobicContact CB-CB 3.5Å; A74-D114 VanDerWaalsContact CB-CB 3.5Å; A74-N175 CarbonylContact O-C 3.51Å; A74-N175 WeakPolarHBondContact O-CA 3.48Å; A74-H176 PolarHBondContact O-N 3.14Å
75	V	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.9	163.7	170.5	0	0	0	0	109.5	G37 C38 F113 D114 V148 Y150 Y161 T174	G37-V75 PolarHBondContact O-N 2.86Å; C38-V75 HydrophobicContact CB-CB 4.06Å; C38-V75 HydrophobicContact CB-CG2 3.49Å; C38-V75 VanDerWaalsContact CB-CG2 3.49Å; V75-F113 CarbonylContact O-C 3.49Å; V75-D114 VanDerWaalsContact O-CA 3.3Å; V75-D114 WeakPolarHBondContact O-CA 3.31Å; V75-D114 WeakPolarHBondContact O-CB 3.13Å; V75-D114 PolarHBondContact O-N 3.36Å; V75-D114 VanDerWaalsContact O-N 3.13Å; V75-V148 HydrophobicContact CG1-CG2 4.22Å; V75-V148 HydrophobicContact CG2-CG1 3.96Å; V75-V148 HydrophobicContact CG2-CG2 4.26Å; V75-Y150 VanDerWaalsContact CG2-OH 3.28Å; V75-Y150 WeakPolarHBondContact CG2-OH 3.4Å; V75-Y161 HydrophobicContact CG1-CE1 4.16Å; V75-Y161 HydrophobicContact CG2-CE1 4.13Å; V75-T174 WeakPolarHBondContact CA-O 3.49Å
76	I	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.1	179.4	-58.8	-57.1	0	0	0	110.2	Y71 A80 H107 D114 L173 T174 H176	Y71-I76 HydrophobicContact CD1-CD1 3.86Å; Y71-I76 HydrophobicContact CG-CD1 4.06Å; I76-A80 HydrophobicContact CB-CB 4.32Å; I76-A80 HydrophobicContact CG2-CB 3.66Å; I76-H107 HydrophobicContact CG2-CB 3.73Å; I76-H107 WeakPolarHBondContact CG2-ND1 3.46Å; I76-D114 HydrophobicContact CD1-CB 4.08Å; I76-L173 WeakPolarHBondContact O-CA 3.3Å; I76-L173 WeakPolarHBondContact O-CD2 3.08Å; I76-T174 HydrophobicContact CB-CG2 3.91Å; I76-T174 HydrophobicContact CG1-CG2 4.26Å; I76-T174 HydrophobicContact CG2-CG2 4.49Å; I76-T174 PolarHBondContact N-O 3.23Å; I76-T174 PolarHBondContact O-N 2.88Å; I76-H176 HydrophobicContact CD1-CB 4.05Å; I76-H176 HydrophobicContact CG1-CB 3.76Å
77	G	98.8	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.			trans	174.5	171.7	176.2	0	0	0	0	0	111.6	G108 G112 F113	G77-G108 WeakPolarHBondContact O-CA 3.22Å; G77-G112 WeakPolarHBondContact O-CA 3.33Å; G77-F113 PolarHBondContact O-N 3Å
78	R	98.8	Very high	98.7	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.015	13%	0.125	C	C	.	.	S	Bend	cis	-70.3	-31.3	11.7	-164	176.6	-67.6	-171.7	1.1	114.9	F113 S133 P134 Y140 P141 G142 L144 T169 N172	R78-F113 HydrophobicContact CB-CE1 4.2Å; R78-F113 HydrophobicContact CB-CZ 3.99Å; R78-F113 HydrophobicContact CG-CZ 4.16Å; R78-S133 PolarHBondContact NE-OG 3.18Å; R78-S133 PolarHBondContact NH2-O 3.07Å; R78-S133 PolarHBondContact NH2-OG 3.14Å; R78-P134 PolarHBondContact NH2-O 2.79Å; R78-Y140 HydrophobicContact CB-CD1 4.43Å; R78-Y140 HydrophobicContact CB-CD2 4.15Å; R78-Y140 HydrophobicContact CB-CE2 4.25Å; R78-Y140 HydrophobicContact CB-CG 4.25Å; R78-P141 PolarHBondContact NH1-O 3.04Å; R78-G142 PolarHBondContact NH1-O 2.88Å; R78-G142 PolarHBondContact NH2-O 2.96Å; R78-L144 HydrophobicContact CG-CD2 3.66Å; R78-T169 PolarHBondContact NH1-OG1 3.24Å; R78-N172 PolarHBondContact O-N 3.28Å; R78-N172 VanDerWaalsContact O-N 3.08Å
79	V	98.9	Very high	98.8	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.048	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-126.1	118.5	174.5	-178.6	0	0	0	0	109.4	I83 G108 Y140 P170 N172	V79-I83 HydrophobicContact CB-CD1 4.1Å; V79-I83 HydrophobicContact CG1-CD1 3.97Å; V79-I83 HydrophobicContact CG1-CG1 4.3Å; V79-I83 HydrophobicContact CG2-CD1 4.4Å; V79-G108 PolarHBondContact O-N 2.91Å; V79-Y140 HydrophobicContact CB-CE1 4.16Å; V79-Y140 HydrophobicContact CG2-CD1 4.37Å; V79-Y140 HydrophobicContact CG2-CE1 3.56Å; V79-P170 HydrophobicContact CG2-CB 3.8Å; V79-P170 HydrophobicContact CG2-CG 3.92Å; V79-P170 WeakPolarHBondContact CG2-O 3.35Å; V79-N172 HydrophobicContact CG1-CB 4.02Å
80	A	98.9	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.			trans	-69.5	154.6	173.1	0	0	0	0	0	112.4	I76 N172 T174	I76-A80 HydrophobicContact CB-CB 4.32Å; I76-A80 HydrophobicContact CG2-CB 3.66Å; A80-N172 WeakPolarHBondContact CB-O 3.47Å; A80-N172 PolarHBondContact N-O 3.3Å; A80-T174 HydrophobicContact CB-CG2 3.6Å
81	N	98.8	Very high	98.7	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	59.9	-156.6	-174.9	-146.2	-74.8	0	0	0	112.9	L106 H107 Q279 P312	N81-L106 WeakPolarHBondContact O-CA 3.29Å; N81-H107 PolarHBondContact N-ND1 2.9Å; N81-H107 VanDerWaalsContact N-ND1 3.14Å; N81-H107 PolarHBondContact O-N 3.16Å; N81-Q279 PolarHBondContact ND2-OE1 2.77Å; N81-P312 HydrophobicContact CB-CB 3.94Å; N81-P312 HydrophobicContact CB-CG 3.87Å; N81-P312 WeakPolarHBondContact OD1-CB 3.45Å
82	R	98.8	Very high	98.7	Very high	16 Å²	16	26.8 Å²	26.8	6%	0.06	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147.3	-168.1	-66.2	171.1	179.3	76.2	-3.8	112.5	S105 L106 L208 I209 D243 D313	R82-S105 CarbonylContact C-O 3.56Å; R82-S105 WeakPolarHBondContact CA-O 3.33Å; R82-L106 HydrophobicContact CG-CD1 3.57Å; R82-L208 WeakPolarHBondContact CD-O 3.19Å; R82-I209 HydrophobicContact CB-CD1 3.56Å; R82-D243 IonicContact NH2-OD2 3.09Å; R82-D313 WeakPolarHBondContact O-CA 3.19Å; R82-D313 PolarHBondContact O-N 3.16Å
83	I	98.9	Very high	98.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.3	162.4	-66.7	169.9	0	0	0	107.3	V79 K85 G86 T87 F88 L97 S105 Y140 D313 V315	V79-I83 HydrophobicContact CB-CD1 4.1Å; V79-I83 HydrophobicContact CG1-CD1 3.97Å; V79-I83 HydrophobicContact CG1-CG1 4.3Å; V79-I83 HydrophobicContact CG2-CD1 4.4Å; I83-K85 PolarHBondContact O-N 3.15Å; I83-G86 PolarHBondContact O-N 3.45Å; I83-G86 VanDerWaalsContact O-N 3.1Å; I83-T87 WeakPolarHBondContact CG2-O 3.46Å; I83-F88 HydrophobicContact CD1-CD1 4.42Å; I83-F88 HydrophobicContact CG2-CD1 4.4Å; I83-L97 HydrophobicContact CB-CD1 4.26Å; I83-L97 HydrophobicContact CD1-CD1 3.46Å; I83-L97 VanDerWaalsContact CD1-CD1 3.46Å; I83-L97 HydrophobicContact CG1-CD1 4.44Å; I83-L97 HydrophobicContact CG2-CD1 4.29Å; I83-S105 PolarHBondContact N-O 3.47Å; I83-S105 PolarHBondContact O-N 3.02Å; I83-S105 VanDerWaalsContact O-N 3.12Å; I83-Y140 HydrophobicContact CD1-CE1 4.19Å; I83-D313 WeakPolarHBondContact CA-OD1 3.22Å; I83-V315 HydrophobicContact CD1-CG1 4.33Å; I83-V315 HydrophobicContact CG1-CG1 4.18Å; I83-V315 HydrophobicContact CG2-CG1 4.11Å
84	A	98.7	Very high	98.6	Very high	20 Å²	20	37.3 Å²	37.3	17%	0.165	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56.2	129.7	-176.1	0	0	0	0	0	110.7	G86 T87 N104 I209 D313	A84-G86 PolarHBondContact O-N 3.4Å; A84-T87 PolarHBondContact O-N 2.92Å; A84-N104 WeakPolarHBondContact CA-OD1 3.46Å; A84-I209 HydrophobicContact CB-CD1 3.93Å; A84-I209 HydrophobicContact CB-CG1 4.13Å; A84-I209 HydrophobicContact CB-CG2 4.15Å; A84-D313 WeakPolarHBondContact CB-OD2 3.44Å; A84-D313 PolarHBondContact N-OD1 3.16Å
85	K	98.7	Very high	98.6	Very high	159 Å²	159	38.8 Å²	38.8	69%	0.691	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	56.1	14.3	179.2	-58.9	172.5	-176.8	172.5	0	114.6	I83 T87 I99 P103 N104	I83-K85 PolarHBondContact O-N 3.15Å; K85-T87 HydrophobicContact CB-CG2 4.08Å; K85-T87 PolarHBondContact O-N 2.86Å; K85-I99 WeakPolarHBondContact O-CD1 3.36Å; K85-P103 VanDerWaalsContact CA-O 3.29Å; K85-P103 WeakPolarHBondContact CA-O 3.47Å; K85-N104 PolarHBondContact N-OD1 2.97Å
86	G	98.8	Very high	98.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	52	36.9	-173.2	0	0	0	0	0	113.3	I83 A84 H96 L97	I83-G86 PolarHBondContact O-N 3.45Å; I83-G86 VanDerWaalsContact O-N 3.1Å; A84-G86 PolarHBondContact O-N 3.4Å; G86-H96 CarbonylContact O-C 3.36Å; G86-H96 WeakPolarHBondContact O-CA 3.4Å; G86-L97 WeakPolarHBondContact O-CB 3.27Å; G86-L97 PolarHBondContact O-N 3.12Å
87	T	98.8	Very high	98.6	Very high	26 Å²	26	45.5 Å²	45.5	16%	0.16	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.3	177.2	-173	0	0	0	0	110.7	I83 A84 K85 E94 Y95 N316	I83-T87 WeakPolarHBondContact CG2-O 3.46Å; A84-T87 PolarHBondContact O-N 2.92Å; K85-T87 HydrophobicContact CB-CG2 4.08Å; K85-T87 PolarHBondContact O-N 2.86Å; T87-E94 WeakPolarHBondContact OG1-CG 3.48Å; T87-E94 PolarHBondContact OG1-OE1 3.25Å; T87-Y95 VanDerWaalsContact CA-O 3.3Å; T87-Y95 WeakPolarHBondContact CA-O 3.34Å; T87-Y95 PolarHBondContact OG1-O 3.39Å; T87-N316 PolarHBondContact O-ND2 3.32Å; T87-N316 PolarHBondContact O-OD1 3.48Å
88	F	98.9	Very high	98.6	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	169.1	172.6	64.8	-85.1	0	0	0	110.7	I83 V90 Y95 L97 Y140 P170 V315 N316	I83-F88 HydrophobicContact CD1-CD1 4.42Å; I83-F88 HydrophobicContact CG2-CD1 4.4Å; F88-V90 HydrophobicContact CD2-CG2 3.74Å; F88-V90 HydrophobicContact CE2-CG2 3.58Å; F88-Y95 HydrophobicContact CD2-CD2 4.5Å; F88-Y95 HydrophobicContact CE2-CD2 4.05Å; F88-Y95 HydrophobicContact CE2-CG 4.19Å; F88-Y95 HydrophobicContact CZ-CD2 4.49Å; F88-Y95 HydrophobicContact CZ-CG 4.16Å; F88-Y95 PolarHBondContact N-O 2.93Å; F88-Y95 PolarHBondContact O-N 2.92Å; F88-L97 HydrophobicContact CD1-CD1 4.06Å; F88-L97 HydrophobicContact CD1-CG 4.31Å; F88-L97 HydrophobicContact CE1-CD1 3.82Å; F88-L97 HydrophobicContact CE1-CD2 3.9Å; F88-L97 HydrophobicContact CE1-CG 3.87Å; F88-Y140 HydrophobicContact CE1-CD1 4.13Å; F88-Y140 HydrophobicContact CE1-CE1 4.11Å; F88-Y140 AromaticContact CZ-CD1 3.92Å; F88-Y140 HydrophobicContact CZ-CD1 3.92Å; F88-Y140 HydrophobicContact CZ-CE1 4.31Å; F88-P170 HydrophobicContact CD2-CG 4.26Å; F88-P170 HydrophobicContact CE1-CG 4.45Å; F88-P170 HydrophobicContact CE2-CG 3.71Å; F88-P170 HydrophobicContact CZ-CG 3.82Å; F88-V315 HydrophobicContact CB-CB 4.23Å; F88-V315 HydrophobicContact CB-CG1 3.53Å; F88-V315 HydrophobicContact CB-CG2 3.69Å; F88-V315 HydrophobicContact CD2-CG2 3.61Å; F88-V315 HydrophobicContact CE2-CG2 4.49Å; F88-V315 HydrophobicContact CG-CG1 4.08Å; F88-V315 HydrophobicContact CG-CG2 3.81Å; F88-N316 WeakPolarHBondContact CA-OD1 3.45Å
89	K	98.8	Very high	98.6	Very high	126 Å²	126	50.4 Å²	50.4	55%	0.548	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.4	177.6	-63.2	-176.3	-179.8	-177.7	0	111.8	K93 E94	K89-K93 CarbonylContact C-O 3.6Å; K89-K93 WeakPolarHBondContact CA-O 3.4Å; K89-E94 HydrophobicContact CG-CB 4.13Å; K89-E94 HydrophobicContact CG-CG 4.36Å
90	V	98.4	Very high	98.6	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.3	170.7	-177.3	0	0	0	0	108.3	F88 G92 K93 Y95 A168 L324	F88-V90 HydrophobicContact CD2-CG2 3.74Å; F88-V90 HydrophobicContact CE2-CG2 3.58Å; V90-G92 PolarHBondContact O-N 3.36Å; V90-G92 VanDerWaalsContact O-N 3.09Å; V90-K93 PolarHBondContact N-O 2.63Å; V90-K93 PolarHBondContact O-N 3.06Å; V90-Y95 HydrophobicContact CB-CE2 4.02Å; V90-Y95 HydrophobicContact CG2-CE2 4.46Å; V90-A168 HydrophobicContact CG1-CB 3.68Å; V90-L324 HydrophobicContact CG1-CD1 4.38Å; V90-L324 HydrophobicContact CG1-CD2 4.39Å; V90-L324 HydrophobicContact CG2-CD2 3.78Å
91	D	97.4	Very high	98.6	Very high	114 Å²	114	57.1 Å²	57.1	61%	0.61	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	40	179.1	-59.5	-25.2	0	0	0	112.9	K93 R326	D91-K93 VanDerWaalsContact C-N 3.3Å; D91-K93 PolarHBondContact O-N 3Å; D91-R326 IonicContact OD1-CZ 3.55Å; D91-R326 IonicContact OD1-NH1 3.4Å; D91-R326 PolarHBondContact OD1-NH1 2.7Å; D91-R326 IonicContact OD1-NH2 2.69Å; D91-R326 PolarHBondContact OD1-NH2 2.86Å; D91-R326 IonicContact OD2-CZ 4Å; D91-R326 IonicContact OD2-NH1 3.64Å; D91-R326 PolarHBondContact OD2-NH1 2.86Å; D91-R326 IonicContact OD2-NH2 2.96Å
92	G	97.1	Very high	98.5	Very high	74 Å²	74	65.4 Å²	65.4	76%	0.763	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-9.6	178.9	0	0	0	0	0	115.7	V90	V90-G92 PolarHBondContact O-N 3.36Å; V90-G92 VanDerWaalsContact O-N 3.09Å
93	K	98.6	Very high	98.5	Very high	128 Å²	128	67.8 Å²	67.8	56%	0.557	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	133	176.4	-178.9	171.2	167.9	-172	0	111	K89 V90 D91 Y95	K89-K93 CarbonylContact C-O 3.6Å; K89-K93 WeakPolarHBondContact CA-O 3.4Å; V90-K93 PolarHBondContact N-O 2.63Å; V90-K93 PolarHBondContact O-N 3.06Å; D91-K93 VanDerWaalsContact C-N 3.3Å; D91-K93 PolarHBondContact O-N 3Å; K93-Y95 HydrophobicContact CB-CE2 3.86Å; K93-Y95 HydrophobicContact CD-CE1 4.29Å; K93-Y95 HydrophobicContact CD-CE2 4.12Å; K93-Y95 WeakPolarHBondContact CD-OH 3.37Å; K93-Y95 HydrophobicContact CG-CD2 4.41Å; K93-Y95 HydrophobicContact CG-CE2 3.75Å; K93-Y95 VanDerWaalsContact O-CD2 3.3Å; K93-Y95 WeakPolarHBondContact O-CD2 3.37Å; K93-Y95 WeakPolarHBondContact O-CE2 3.26Å
94	E	98.8	Very high	98.5	Very high	93 Å²	93	67.9 Å²	67.9	44%	0.435	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.3	175.1	-172	165.8	-161	0	0	111.4	T87 K89 H96	T87-E94 WeakPolarHBondContact OG1-CG 3.48Å; T87-E94 PolarHBondContact OG1-OE1 3.25Å; K89-E94 HydrophobicContact CG-CB 4.13Å; K89-E94 HydrophobicContact CG-CG 4.36Å; E94-H96 IonicContact OE1-CE1 3.05Å
95	Y	98.9	Very high	98.5	Very high	34 Å²	34	67 Å²	67	13%	0.133	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.6	179.5	-65.6	-93.2	0	0	0	109.3	T87 F88 V90 K93 P141	T87-Y95 VanDerWaalsContact CA-O 3.3Å; T87-Y95 WeakPolarHBondContact CA-O 3.34Å; T87-Y95 PolarHBondContact OG1-O 3.39Å; F88-Y95 HydrophobicContact CD2-CD2 4.5Å; F88-Y95 HydrophobicContact CE2-CD2 4.05Å; F88-Y95 HydrophobicContact CE2-CG 4.19Å; F88-Y95 HydrophobicContact CZ-CD2 4.49Å; F88-Y95 HydrophobicContact CZ-CG 4.16Å; F88-Y95 PolarHBondContact N-O 2.93Å; F88-Y95 PolarHBondContact O-N 2.92Å; V90-Y95 HydrophobicContact CB-CE2 4.02Å; V90-Y95 HydrophobicContact CG2-CE2 4.46Å; K93-Y95 HydrophobicContact CB-CE2 3.86Å; K93-Y95 HydrophobicContact CD-CE1 4.29Å; K93-Y95 HydrophobicContact CD-CE2 4.12Å; K93-Y95 WeakPolarHBondContact CD-OH 3.37Å; K93-Y95 HydrophobicContact CG-CD2 4.41Å; K93-Y95 HydrophobicContact CG-CE2 3.75Å; K93-Y95 VanDerWaalsContact O-CD2 3.3Å; K93-Y95 WeakPolarHBondContact O-CD2 3.37Å; K93-Y95 WeakPolarHBondContact O-CE2 3.26Å; Y95-P141 HydrophobicContact CD1-CB 4.27Å; Y95-P141 HydrophobicContact CD1-CG 4.09Å; Y95-P141 HydrophobicContact CE1-CB 3.46Å; Y95-P141 VanDerWaalsContact CE1-CB 3.46Å; Y95-P141 HydrophobicContact CE1-CG 3.64Å; Y95-P141 HydrophobicContact CE2-CG 4.14Å
96	H	98.8	Very high	98.5	Very high	126 Å²	126	60 Å²	60	58%	0.583	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.1	178.5	-59.9	-69.8	0	0	0	110.1	G86 E94	G86-H96 CarbonylContact O-C 3.36Å; G86-H96 WeakPolarHBondContact O-CA 3.4Å; E94-H96 IonicContact OE1-CE1 3.05Å
97	L	98.9	Very high	98.5	Very high	15 Å²	15	60.4 Å²	60.4	8%	0.079	32%	0.316	C	S	.	.			trans	-110.4	164.1	-179.7	-57.7	177	0	0	0	109.9	I83 G86 F88 I99 E138 Y140	I83-L97 HydrophobicContact CB-CD1 4.26Å; I83-L97 HydrophobicContact CD1-CD1 3.46Å; I83-L97 VanDerWaalsContact CD1-CD1 3.46Å; I83-L97 HydrophobicContact CG1-CD1 4.44Å; I83-L97 HydrophobicContact CG2-CD1 4.29Å; G86-L97 WeakPolarHBondContact O-CB 3.27Å; G86-L97 PolarHBondContact O-N 3.12Å; F88-L97 HydrophobicContact CD1-CD1 4.06Å; F88-L97 HydrophobicContact CD1-CG 4.31Å; F88-L97 HydrophobicContact CE1-CD1 3.82Å; F88-L97 HydrophobicContact CE1-CD2 3.9Å; F88-L97 HydrophobicContact CE1-CG 3.87Å; L97-I99 PolarHBondContact O-N 3.36Å; L97-E138 WeakPolarHBondContact CD2-O 3.32Å; L97-Y140 HydrophobicContact CD1-CE1 3.99Å; L97-Y140 HydrophobicContact CD1-CE2 4.3Å; L97-Y140 WeakPolarHBondContact CD1-OH 3.45Å; L97-Y140 HydrophobicContact CD2-CD1 4.17Å; L97-Y140 HydrophobicContact CD2-CD2 3.76Å; L97-Y140 HydrophobicContact CD2-CE1 3.96Å; L97-Y140 HydrophobicContact CD2-CE2 3.53Å; L97-Y140 HydrophobicContact CD2-CG 4.07Å
98	A	98.6	Very high	98.5	Very high	29 Å²	29	59.2 Å²	59.2	24%	0.24	31%	0.309	C	S	.	.			trans	-63.2	133.5	171.7	0	0	0	0	0	111.5	N100 S105 V110	A98-N100 VanDerWaalsContact C-N 3.29Å; A98-N100 PolarHBondContact O-N 2.99Å; A98-N100 VanDerWaalsContact O-N 3.11Å; A98-S105 WeakPolarHBondContact O-CA 3.43Å; A98-S105 WeakPolarHBondContact O-CB 3.48Å; A98-S105 PolarHBondContact O-OG 3.28Å; A98-V110 HydrophobicContact CB-CG2 3.51Å
99	I	98.8	Very high	98.5	Very high	77 Å²	77	59.2 Å²	59.2	40%	0.395	31%	0.309	S	S	.	.			trans	-84.6	75.9	169.2	-51.8	-52	0	0	0	108.7	K85 L97 K101 E102	K85-I99 WeakPolarHBondContact O-CD1 3.36Å; L97-I99 PolarHBondContact O-N 3.36Å; I99-K101 VanDerWaalsContact C-N 3.32Å; I99-E102 HydrophobicContact CG2-CB 4.4Å; I99-E102 HydrophobicContact CG2-CG 3.97Å
100	N	98.4	Very high	98.4	Very high	48 Å²	48	57.6 Å²	57.6	26%	0.257	31%	0.309	S	S	.	.	S	Bend	trans	-85.6	-6.1	177.9	66	-26.8	0	0	0	112.8	A98 S105 L106 G109 V110	A98-N100 VanDerWaalsContact C-N 3.29Å; A98-N100 PolarHBondContact O-N 2.99Å; A98-N100 VanDerWaalsContact O-N 3.11Å; N100-S105 WeakPolarHBondContact OD1-CA 3.19Å; N100-L106 PolarHBondContact ND2-O 2.88Å; N100-L106 PolarHBondContact OD1-N 3.37Å; N100-G109 VanDerWaalsContact ND2-C 3.28Å; N100-G109 PolarHBondContact ND2-O 2.87Å; N100-V110 HydrophobicContact CB-CG2 4.41Å
101	K	97.9	Very high	98.5	Very high	102 Å²	102	63.8 Å²	63.8	44%	0.443	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-144.7	82.1	174.3	-162.6	72.7	173.4	177.8	0	110.6	I99 N104 L106	I99-K101 VanDerWaalsContact C-N 3.32Å; K101-N104 CarbonylContact C-O 3.52Å; K101-N104 VanDerWaalsContact C-O 3.3Å; K101-N104 PolarHBondContact N-O 3.38Å; K101-N104 CarbonylContact O-C 3.55Å; K101-N104 WeakPolarHBondContact O-CA 3.33Å; K101-N104 PolarHBondContact O-N 2.76Å; K101-L106 HydrophobicContact CB-CB 3.73Å; K101-L106 HydrophobicContact CB-CD2 4.01Å; K101-L106 HydrophobicContact CB-CG 4.49Å; K101-L106 HydrophobicContact CD-CD2 4.19Å; K101-L106 HydrophobicContact CG-CB 4.49Å; K101-L106 HydrophobicContact CG-CD2 3.96Å
102	E	97.3	Very high	98.5	Very high	178 Å²	178	58.4 Å²	58.4	83%	0.832	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	134.3	-172.3	-69	-178.8	177.4	0	0	113.9	I99 N104	I99-E102 HydrophobicContact CG2-CB 4.4Å; I99-E102 HydrophobicContact CG2-CG 3.97Å; E102-N104 VanDerWaalsContact C-N 3.34Å
103	P	98.3	Very high	98.6	Very high	65 Å²	65	55 Å²	55	42%	0.422	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.9	13.6	-3	37.1	-35.6	0	0	0	113.9	K85 T207	K85-P103 VanDerWaalsContact CA-O 3.29Å; K85-P103 WeakPolarHBondContact CA-O 3.47Å; P103-T207 HydrophobicContact CG-CG2 3.89Å
104	N	98.9	Very high	98.6	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-111.1	167.4	-166.4	-59.4	-41.6	0	0	0	113.2	A84 K85 K101 E102 T207 I209	A84-N104 WeakPolarHBondContact CA-OD1 3.46Å; K85-N104 PolarHBondContact N-OD1 2.97Å; K101-N104 CarbonylContact C-O 3.52Å; K101-N104 VanDerWaalsContact C-O 3.3Å; K101-N104 PolarHBondContact N-O 3.38Å; K101-N104 CarbonylContact O-C 3.55Å; K101-N104 WeakPolarHBondContact O-CA 3.33Å; K101-N104 PolarHBondContact O-N 2.76Å; E102-N104 VanDerWaalsContact C-N 3.34Å; N104-T207 WeakPolarHBondContact ND2-CB 3.29Å; N104-T207 PolarHBondContact ND2-O 3.01Å; N104-T207 PolarHBondContact ND2-OG1 2.96Å; N104-T207 VanDerWaalsContact ND2-OG1 3.15Å; N104-I209 WeakPolarHBondContact ND2-CG1 3.36Å
105	S	98.9	Very high	98.6	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.1	164.2	-162	0	0	0	0	109.7	R82 I83 A98 N100	R82-S105 CarbonylContact C-O 3.56Å; R82-S105 WeakPolarHBondContact CA-O 3.33Å; I83-S105 PolarHBondContact N-O 3.47Å; I83-S105 PolarHBondContact O-N 3.02Å; I83-S105 VanDerWaalsContact O-N 3.12Å; A98-S105 WeakPolarHBondContact O-CA 3.43Å; A98-S105 WeakPolarHBondContact O-CB 3.48Å; A98-S105 PolarHBondContact O-OG 3.28Å; N100-S105 WeakPolarHBondContact OD1-CA 3.19Å
106	L	98.9	Very high	98.6	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.058	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.9	-174.3	178.2	70.3	0	0	0	111.1	Y71 N81 R82 N100 K101 G108 G109	Y71-L106 HydrophobicContact CE2-CD2 4.43Å; N81-L106 WeakPolarHBondContact O-CA 3.29Å; R82-L106 HydrophobicContact CG-CD1 3.57Å; N100-L106 PolarHBondContact ND2-O 2.88Å; N100-L106 PolarHBondContact OD1-N 3.37Å; K101-L106 HydrophobicContact CB-CB 3.73Å; K101-L106 HydrophobicContact CB-CD2 4.01Å; K101-L106 HydrophobicContact CB-CG 4.49Å; K101-L106 HydrophobicContact CD-CD2 4.19Å; K101-L106 HydrophobicContact CG-CB 4.49Å; K101-L106 HydrophobicContact CG-CD2 3.96Å; L106-G108 VanDerWaalsContact C-N 3.32Å; L106-G108 PolarHBondContact O-N 2.96Å; L106-G109 PolarHBondContact O-N 3.3Å; L106-G109 VanDerWaalsContact O-N 3.16Å
107	H	98.7	Very high	98.6	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.046	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	47	167.6	-65.2	-50.8	0	0	0	113.5	Y71 I76 N81 G109 H176 E307	Y71-H107 HydrophobicContact CD1-CB 4.48Å; Y71-H107 AromaticContact CD2-CD2 3.84Å; Y71-H107 HydrophobicContact CE1-CB 3.95Å; Y71-H107 AromaticContact CE2-CD2 3.56Å; Y71-H107 AromaticContact CZ-CD2 3.82Å; I76-H107 HydrophobicContact CG2-CB 3.73Å; I76-H107 WeakPolarHBondContact CG2-ND1 3.46Å; N81-H107 PolarHBondContact N-ND1 2.9Å; N81-H107 VanDerWaalsContact N-ND1 3.14Å; N81-H107 PolarHBondContact O-N 3.16Å; H107-G109 VanDerWaalsContact C-N 3.29Å; H107-G109 PolarHBondContact O-N 2.9Å; H107-H176 AromaticContact CE1-CD2 3.96Å; H107-H176 AromaticContact NE2-CD2 3.94Å; H107-H176 AromaticContact NE2-NE2 3.95Å; H107-E307 IonicContact CE1-OE2 3.9Å
108	G	98.5	Very high	98.6	Very high	1 Å²	1	42 Å²	42	1%	0.01	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	1.8	175.5	0	0	0	0	0	116.5	G77 V79 L106 E138	G77-G108 WeakPolarHBondContact O-CA 3.22Å; V79-G108 PolarHBondContact O-N 2.91Å; L106-G108 VanDerWaalsContact C-N 3.32Å; L106-G108 PolarHBondContact O-N 2.96Å; G108-E138 VanDerWaalsContact O-CB 3.27Å; G108-E138 WeakPolarHBondContact O-CB 3.37Å; G108-E138 WeakPolarHBondContact O-CG 3.45Å
109	G	98.6	Very high	98.6	Very high	1 Å²	1	45 Å²	45	1%	0.01	23%	0.227	C	C	.	.	S	Bend	trans	107.5	-155.4	170.1	0	0	0	0	0	115.5	N100 L106 H107 E138	N100-G109 VanDerWaalsContact ND2-C 3.28Å; N100-G109 PolarHBondContact ND2-O 2.87Å; L106-G109 PolarHBondContact O-N 3.3Å; L106-G109 VanDerWaalsContact O-N 3.16Å; H107-G109 VanDerWaalsContact C-N 3.29Å; H107-G109 PolarHBondContact O-N 2.9Å; G109-E138 WeakPolarHBondContact CA-OE2 3.21Å
110	V	98.6	Very high	98.6	Very high	92 Å²	92	43.1 Å²	43.1	56%	0.558	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-39.5	-174.2	177	0	0	0	0	110.6	A98 N100 K115 E138	A98-V110 HydrophobicContact CB-CG2 3.51Å; N100-V110 HydrophobicContact CB-CG2 4.41Å; V110-K115 WeakPolarHBondContact O-CD 3.47Å; V110-K115 WeakPolarHBondContact O-CE 3.3Å; V110-K115 PolarHBondContact O-NZ 2.94Å; V110-E138 PolarHBondContact N-OE2 2.86Å
111	R	98.7	Very high	98.7	Very high	136 Å²	136	48.9 Å²	48.9	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	62.2	177.8	-156.2	-170.6	177.3	-159.3	0.9	112.3	K115 V116 E138	R111-K115 HydrophobicContact CB-CG 4.34Å; R111-K115 HydrophobicContact CG-CD 4.19Å; R111-K115 HydrophobicContact CG-CG 3.61Å; R111-K115 PolarHBondContact NE-O 3.37Å; R111-V116 HydrophobicContact CG-CG1 4.3Å; R111-E138 VanDerWaalsContact CA-OE1 3.31Å; R111-E138 WeakPolarHBondContact CA-OE1 3.25Å; R111-E138 VanDerWaalsContact CB-OE1 3.24Å; R111-E138 WeakPolarHBondContact CB-OE1 3.3Å; R111-E138 VanDerWaalsContact N-CD 3.33Å; R111-E138 PolarHBondContact N-OE1 3.32Å
112	G	98.8	Very high	98.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	24%	0.235	C	C	.	.			trans	-62.4	180	173.3	0	0	0	0	0	115	G77 D114 K115	G77-G112 WeakPolarHBondContact O-CA 3.33Å; G112-D114 VanDerWaalsContact C-OD1 3.29Å; G112-D114 PolarHBondContact O-N 3.46Å; G112-D114 VanDerWaalsContact O-N 3.1Å; G112-K115 PolarHBondContact O-N 2.94Å; G112-K115 VanDerWaalsContact O-N 3.13Å
113	F	98.9	Very high	98.8	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.5	-17.8	-173.7	-75.9	11.2	0	0	0	114.6	G37 V75 G77 R78 K115 V116 W118 L144 V146 L173	G37-F113 WeakPolarHBondContact CA-O 3.35Å; V75-F113 CarbonylContact O-C 3.49Å; G77-F113 PolarHBondContact O-N 3Å; R78-F113 HydrophobicContact CB-CE1 4.2Å; R78-F113 HydrophobicContact CB-CZ 3.99Å; R78-F113 HydrophobicContact CG-CZ 4.16Å; F113-K115 VanDerWaalsContact C-N 3.3Å; F113-V116 WeakPolarHBondContact O-CG2 3.3Å; F113-W118 HydrophobicContact CB-CZ2 4.01Å; F113-W118 HydrophobicContact CD2-CH2 4.13Å; F113-W118 AromaticContact CD2-CZ2 3.87Å; F113-W118 HydrophobicContact CD2-CZ2 3.87Å; F113-W118 HydrophobicContact CE2-CH2 4.49Å; F113-W118 AromaticContact CG-CZ2 4Å; F113-W118 HydrophobicContact CG-CZ2 4Å; F113-W118 PolarHBondContact O-NE1 3.12Å; F113-W118 VanDerWaalsContact O-NE1 3.07Å; F113-L144 HydrophobicContact CE2-CD2 4.42Å; F113-L144 HydrophobicContact CZ-CD2 4.15Å; F113-V146 HydrophobicContact CE2-CG2 3.88Å; F113-V146 HydrophobicContact CZ-CG2 4.18Å; F113-L173 HydrophobicContact CD2-CD2 3.81Å; F113-L173 HydrophobicContact CE2-CD2 3.67Å
114	D	98.9	Very high	98.7	Very high	10 Å²	10	43 Å²	43	5%	0.053	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-72.3	-22.1	178.2	63.5	-60.8	0	0	0	113	G37 Y71 A74 V75 I76 G112	G37-D114 VanDerWaalsContact CA-O 3.26Å; G37-D114 WeakPolarHBondContact CA-O 3.24Å; Y71-D114 HydrophobicContact CD1-CB 4.47Å; Y71-D114 WeakPolarHBondContact CD1-OD2 3.44Å; A74-D114 HydrophobicContact CB-CB 3.5Å; A74-D114 VanDerWaalsContact CB-CB 3.5Å; V75-D114 VanDerWaalsContact O-CA 3.3Å; V75-D114 WeakPolarHBondContact O-CA 3.31Å; V75-D114 WeakPolarHBondContact O-CB 3.13Å; V75-D114 PolarHBondContact O-N 3.36Å; V75-D114 VanDerWaalsContact O-N 3.13Å; I76-D114 HydrophobicContact CD1-CB 4.08Å; G112-D114 VanDerWaalsContact C-OD1 3.29Å; G112-D114 PolarHBondContact O-N 3.46Å; G112-D114 VanDerWaalsContact O-N 3.1Å
115	K	98.5	Very high	98.7	Very high	50 Å²	50	44.5 Å²	44.5	22%	0.217	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-126.6	41.7	-171.6	75.6	-159.7	95.5	160.9	0	113.4	W36 V110 R111 G112 F113	W36-K115 HydrophobicContact CH2-CB 4.48Å; W36-K115 WeakPolarHBondContact CH2-O 3.4Å; W36-K115 HydrophobicContact CZ2-CB 3.71Å; W36-K115 VanDerWaalsContact CZ2-O 3.28Å; W36-K115 WeakPolarHBondContact CZ2-O 3.29Å; V110-K115 WeakPolarHBondContact O-CD 3.47Å; V110-K115 WeakPolarHBondContact O-CE 3.3Å; V110-K115 PolarHBondContact O-NZ 2.94Å; R111-K115 HydrophobicContact CB-CG 4.34Å; R111-K115 HydrophobicContact CG-CD 4.19Å; R111-K115 HydrophobicContact CG-CG 3.61Å; R111-K115 PolarHBondContact NE-O 3.37Å; G112-K115 PolarHBondContact O-N 2.94Å; G112-K115 VanDerWaalsContact O-N 3.13Å; F113-K115 VanDerWaalsContact C-N 3.3Å
116	V	98.8	Very high	98.7	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	23%	0.231	C	C	.	.	S	Bend	trans	-134.7	150.8	174.3	-65.2	0	0	0	0	109.6	W36 G37 R111 F113 W118 R131	W36-V116 VanDerWaalsContact CE3-C 3.43Å; G37-V116 PolarHBondContact N-O 3.09Å; R111-V116 HydrophobicContact CG-CG1 4.3Å; F113-V116 WeakPolarHBondContact O-CG2 3.3Å; V116-W118 VanDerWaalsContact O-CD1 3.28Å; V116-R131 VanDerWaalsContact CG2-NE 3.28Å
117	L	98.9	Very high	98.7	Very high	58 Å²	58	43.9 Å²	43.9	30%	0.304	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-79	130.2	175.1	-172.7	62.8	0	0	0	109.5	L12 V19 S35 W36	L12-L117 HydrophobicContact CD1-CB 4.07Å; L12-L117 HydrophobicContact CD1-CD1 4.42Å; L12-L117 HydrophobicContact CD1-CD2 4.22Å; L12-L117 HydrophobicContact CD1-CG 4.48Å; V19-L117 HydrophobicContact CG2-CD1 4.12Å; S35-L117 WeakPolarHBondContact OG-CD1 3.49Å; W36-L117 HydrophobicContact CE3-CB 4.23Å; W36-L117 HydrophobicContact CZ3-CB 4.48Å
118	W	98.9	Very high	98.7	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.011	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-103.4	151.4	175.5	-68.7	71.6	0	0	0	111	S35 F113 V116 P120 F129 R131 V146 V148	S35-W118 WeakPolarHBondContact O-CB 3.43Å; S35-W118 PolarHBondContact O-N 3.03Å; F113-W118 HydrophobicContact CB-CZ2 4.01Å; F113-W118 HydrophobicContact CD2-CH2 4.13Å; F113-W118 AromaticContact CD2-CZ2 3.87Å; F113-W118 HydrophobicContact CD2-CZ2 3.87Å; F113-W118 HydrophobicContact CE2-CH2 4.49Å; F113-W118 AromaticContact CG-CZ2 4Å; F113-W118 HydrophobicContact CG-CZ2 4Å; F113-W118 PolarHBondContact O-NE1 3.12Å; F113-W118 VanDerWaalsContact O-NE1 3.07Å; V116-W118 VanDerWaalsContact O-CD1 3.28Å; W118-P120 WeakPolarHBondContact O-CD 3.36Å; W118-F129 HydrophobicContact CB-CB 3.92Å; W118-F129 HydrophobicContact CB-CD1 4.14Å; W118-F129 HydrophobicContact CB-CG 4.38Å; W118-F129 HydrophobicContact CD2-CB 4.4Å; W118-F129 HydrophobicContact CE3-CB 3.99Å; W118-F129 HydrophobicContact CG-CB 4.4Å; W118-R131 HydrophobicContact CD2-CB 3.68Å; W118-R131 HydrophobicContact CE3-CB 3.33Å; W118-R131 HydrophobicContact CG-CB 4.42Å; W118-R131 HydrophobicContact CH2-CB 3.88Å; W118-R131 HydrophobicContact CZ2-CB 4.2Å; W118-R131 HydrophobicContact CZ3-CB 3.45Å; W118-R131 VanDerWaalsContact CZ3-CB 3.45Å; W118-V146 HydrophobicContact CH2-CB 3.74Å; W118-V146 HydrophobicContact CH2-CG1 3.6Å; W118-V146 HydrophobicContact CZ3-CB 3.86Å; W118-V146 HydrophobicContact CZ3-CG1 3.88Å; W118-V148 HydrophobicContact CH2-CG2 4.08Å; W118-V148 HydrophobicContact CZ3-CG2 3.97Å
119	T	98.9	Very high	98.7	Very high	92 Å²	92	45.2 Å²	45.2	56%	0.564	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.2	176.6	-54.4	0	0	0	0	110.1	F129 S130	T119-F129 CarbonylContact O-C 3.54Å; T119-F129 WeakPolarHBondContact O-CA 3.19Å; T119-S130 PolarHBondContact N-O 3Å; T119-S130 PolarHBondContact O-N 2.91Å
120	P	98.9	Very high	98.8	Very high	37 Å²	37	46.9 Å²	46.9	24%	0.24	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	149.9	-178.4	33.8	-33.8	0	0	0	113.2	F22 W118 V127 Q128 F129	F22-P120 HydrophobicContact CE1-CB 4Å; F22-P120 HydrophobicContact CE1-CG 4.48Å; F22-P120 HydrophobicContact CE2-CB 3.62Å; F22-P120 HydrophobicContact CE2-CG 4.04Å; F22-P120 HydrophobicContact CZ-CB 3.23Å; F22-P120 HydrophobicContact CZ-CG 3.51Å; W118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-V127 HydrophobicContact CB-CG2 4.34Å; P120-Q128 CarbonylContact C-O 3.56Å; P120-Q128 WeakPolarHBondContact CA-O 3.27Å; P120-F129 HydrophobicContact CB-CD1 3.98Å; P120-F129 HydrophobicContact CB-CE1 3.9Å
121	R	98.9	Very high	98.8	Very high	168 Å²	168	44.3 Å²	44.3	63%	0.634	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	115.9	166.8	176	-176.3	-77.8	-178.2	-4.4	108.3	L123 Q128	R121-L123 HydrophobicContact CG-CD2 4.46Å; R121-Q128 PolarHBondContact N-O 3.21Å; R121-Q128 PolarHBondContact O-N 3.21Å
122	V	98.8	Very high	98.8	Very high	65 Å²	65	41.2 Å²	41.2	39%	0.394	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.6	175	176.2	0	0	0	0	109.9	V4 F22	V4-V122 HydrophobicContact CB-CG1 4.06Å; V4-V122 HydrophobicContact CG1-CG1 3.81Å; F22-V122 HydrophobicContact CD1-CG2 3.96Å; F22-V122 HydrophobicContact CE1-CG2 3.76Å
123	L	98.7	Very high	98.8	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.277	22%	0.222	S	C	.	.			trans	-111.5	175.1	173.3	-52.9	-180	0	0	0	109.6	R121 N125 G126 Q128 T149 T151	R121-L123 HydrophobicContact CG-CD2 4.46Å; L123-N125 VanDerWaalsContact C-N 3.32Å; L123-N125 PolarHBondContact O-N 3.1Å; L123-G126 WeakPolarHBondContact CA-O 3.49Å; L123-G126 PolarHBondContact N-O 3.35Å; L123-Q128 HydrophobicContact CD1-CB 4.19Å; L123-Q128 HydrophobicContact CD2-CB 4.46Å; L123-Q128 HydrophobicContact CG-CB 4.41Å; L123-T149 HydrophobicContact CD1-CG2 3.55Å; L123-T151 HydrophobicContact CD1-CG2 4.46Å
124	S	97.8	Very high	98.8	Very high	103 Å²	103	44 Å²	44	72%	0.72	24%	0.24	S	C	*	.	S	Bend	trans	-62.7	-36	179.9	51.6	0	0	0	0	113.6
125	N	98.3	Very high	98.8	Very high	37 Å²	37	48.2 Å²	48.2	20%	0.198	26%	0.262	C	S	.	.	S	Bend	trans	-130.9	23.9	-177	66.2	-19.7	0	0	0	112.6	L123 T151 L152	L123-N125 VanDerWaalsContact C-N 3.32Å; L123-N125 PolarHBondContact O-N 3.1Å; N125-T151 WeakPolarHBondContact O-CA 3.24Å; N125-L152 PolarHBondContact O-N 2.88Å
126	G	98.8	Very high	98.8	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-170.6	-167.6	0	0	0	0	0	115.1	V4 L123 Y150	V4-G126 VanDerWaalsContact CG2-N 3.33Å; L123-G126 WeakPolarHBondContact CA-O 3.49Å; L123-G126 PolarHBondContact N-O 3.35Å; G126-Y150 CarbonylContact C-O 3.58Å; G126-Y150 WeakPolarHBondContact CA-O 3.47Å
127	V	98.9	Very high	98.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.1	172.5	58.7	0	0	0	0	109.2	F22 I33 P120 F129 Y150	F22-V127 HydrophobicContact CB-CB 4.34Å; F22-V127 HydrophobicContact CB-CG1 4.07Å; F22-V127 HydrophobicContact CB-CG2 4.49Å; F22-V127 HydrophobicContact CD1-CB 4.31Å; F22-V127 HydrophobicContact CD1-CG2 3.85Å; F22-V127 HydrophobicContact CD2-CG2 4.22Å; F22-V127 HydrophobicContact CE1-CG2 4.17Å; F22-V127 HydrophobicContact CG-CB 4.26Å; F22-V127 HydrophobicContact CG-CG1 4.33Å; F22-V127 HydrophobicContact CG-CG2 3.9Å; I33-V127 HydrophobicContact CD1-CG1 4.15Å; P120-V127 HydrophobicContact CB-CG2 4.34Å; V127-F129 HydrophobicContact CB-CE2 4.41Å; V127-F129 HydrophobicContact CB-CZ 4.45Å; V127-F129 HydrophobicContact CG1-CD2 4.46Å; V127-F129 HydrophobicContact CG1-CE2 3.55Å; V127-F129 HydrophobicContact CG1-CZ 3.78Å; V127-F129 HydrophobicContact CG2-CE1 4.09Å; V127-F129 HydrophobicContact CG2-CE2 4.02Å; V127-F129 HydrophobicContact CG2-CZ 3.78Å; V127-Y150 PolarHBondContact N-O 3.43Å; V127-Y150 PolarHBondContact O-N 3.4Å
128	Q	98.9	Very high	98.8	Very high	38 Å²	38	49.1 Å²	49.1	18%	0.178	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.5	168.8	177.4	175.4	87.8	0	0	109.3	P120 R121 L123 W147 V148 T149	P120-Q128 CarbonylContact C-O 3.56Å; P120-Q128 WeakPolarHBondContact CA-O 3.27Å; R121-Q128 PolarHBondContact N-O 3.21Å; R121-Q128 PolarHBondContact O-N 3.21Å; L123-Q128 HydrophobicContact CD1-CB 4.19Å; L123-Q128 HydrophobicContact CD2-CB 4.46Å; L123-Q128 HydrophobicContact CG-CB 4.41Å; Q128-W147 HydrophobicContact CG-CB 4.45Å; Q128-V148 CarbonylContact C-O 3.59Å; Q128-V148 WeakPolarHBondContact CA-O 3.32Å; Q128-T149 HydrophobicContact CB-CG2 4.27Å; Q128-T149 PolarHBondContact NE2-OG1 3.46Å
129	F	98.9	Very high	98.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.9	169.5	-60.5	-79.9	0	0	0	108.9	F22 I33 C38 W118 T119 P120 V127 W147 V148 Y150	F22-F129 AromaticContact CD2-CE1 3.93Å; F22-F129 HydrophobicContact CD2-CE1 3.93Å; F22-F129 AromaticContact CD2-CZ 3.81Å; F22-F129 HydrophobicContact CD2-CZ 3.81Å; F22-F129 AromaticContact CE2-CE1 3.84Å; F22-F129 HydrophobicContact CE2-CE1 3.84Å; F22-F129 HydrophobicContact CE2-CZ 4.22Å; I33-F129 HydrophobicContact CB-CZ 4.45Å; I33-F129 HydrophobicContact CG2-CE2 3.62Å; I33-F129 HydrophobicContact CG2-CZ 3.79Å; C38-F129 HydrophobicContact CB-CD2 4.06Å; C38-F129 HydrophobicContact CB-CG 4.37Å; C38-F129 WeakPolarHBondContact SG-CB 3.33Å; C38-F129 VanDerWaalsContact SG-CG 3.5Å; W118-F129 HydrophobicContact CB-CB 3.92Å; W118-F129 HydrophobicContact CB-CD1 4.14Å; W118-F129 HydrophobicContact CB-CG 4.38Å; W118-F129 HydrophobicContact CD2-CB 4.4Å; W118-F129 HydrophobicContact CE3-CB 3.99Å; W118-F129 HydrophobicContact CG-CB 4.4Å; T119-F129 CarbonylContact O-C 3.54Å; T119-F129 WeakPolarHBondContact O-CA 3.19Å; P120-F129 HydrophobicContact CB-CD1 3.98Å; P120-F129 HydrophobicContact CB-CE1 3.9Å; V127-F129 HydrophobicContact CB-CE2 4.41Å; V127-F129 HydrophobicContact CB-CZ 4.45Å; V127-F129 HydrophobicContact CG1-CD2 4.46Å; V127-F129 HydrophobicContact CG1-CE2 3.55Å; V127-F129 HydrophobicContact CG1-CZ 3.78Å; V127-F129 HydrophobicContact CG2-CE1 4.09Å; V127-F129 HydrophobicContact CG2-CE2 4.02Å; V127-F129 HydrophobicContact CG2-CZ 3.78Å; F129-W147 CarbonylContact O-C 3.58Å; F129-W147 VanDerWaalsContact O-CA 3.27Å; F129-W147 WeakPolarHBondContact O-CA 3.37Å; F129-V148 PolarHBondContact N-O 3.21Å; F129-V148 PolarHBondContact O-N 3.24Å; F129-Y150 AromaticContact CD2-CD2 3.9Å; F129-Y150 HydrophobicContact CD2-CD2 3.9Å; F129-Y150 AromaticContact CD2-CE2 3.93Å; F129-Y150 HydrophobicContact CD2-CE2 3.93Å; F129-Y150 AromaticContact CE2-CD2 3.76Å; F129-Y150 HydrophobicContact CE2-CD2 3.76Å; F129-Y150 AromaticContact CE2-CE2 3.93Å; F129-Y150 HydrophobicContact CE2-CE2 3.93Å
130	S	98.9	Very high	98.8	Very high	37 Å²	37	46 Å²	46	26%	0.259	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.4	174.7	63.9	0	0	0	0	111.3	T119 V146	T119-S130 PolarHBondContact N-O 3Å; T119-S130 PolarHBondContact O-N 2.91Å; S130-V146 CarbonylContact C-O 3.51Å; S130-V146 VanDerWaalsContact CA-O 3.24Å; S130-V146 WeakPolarHBondContact CA-O 3.43Å
131	R	98.9	Very high	98.8	Very high	37 Å²	37	44.3 Å²	44.3	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152	176.7	-176.8	173.1	179.4	-89.9	-8.1	110.9	V116 W118 E137 V146	V116-R131 VanDerWaalsContact CG2-NE 3.28Å; W118-R131 HydrophobicContact CD2-CB 3.68Å; W118-R131 HydrophobicContact CE3-CB 3.33Å; W118-R131 HydrophobicContact CG-CB 4.42Å; W118-R131 HydrophobicContact CH2-CB 3.88Å; W118-R131 HydrophobicContact CZ2-CB 4.2Å; W118-R131 HydrophobicContact CZ3-CB 3.45Å; W118-R131 VanDerWaalsContact CZ3-CB 3.45Å; R131-E137 IonicContact CZ-OE1 3.8Å; R131-E137 IonicContact CZ-OE2 3.27Å; R131-E137 IonicContact NH1-OE1 2.82Å; R131-E137 IonicContact NH1-OE2 3.88Å; R131-E137 PolarHBondContact NH1-OE2 2.92Å; R131-E137 VanDerWaalsContact NH2-CD 3.35Å; R131-E137 IonicContact NH2-OE1 2.76Å; R131-E137 PolarHBondContact NH2-OE1 2.9Å; R131-E137 IonicContact NH2-OE2 3.72Å; R131-E137 PolarHBondContact NH2-OE2 3.18Å; R131-V146 PolarHBondContact N-O 3.34Å; R131-V146 PolarHBondContact O-N 3.49Å
132	V	98.9	Very high	98.8	Very high	72 Å²	72	36.3 Å²	36.3	44%	0.436	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.7	164.8	-176.1	0	0	0	0	108.1	E143 K145	V132-E143 VanDerWaalsContact CG1-CD 3.49Å; V132-E143 HydrophobicContact CG1-CG 3.38Å; V132-K145 HydrophobicContact CG2-CG 4.33Å
133	S	98.9	Very high	98.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	105	168.7	178.1	0	0	0	0	106.4	R78 E137 E143 L144	R78-S133 PolarHBondContact NE-OG 3.18Å; R78-S133 PolarHBondContact NH2-O 3.07Å; R78-S133 PolarHBondContact NH2-OG 3.14Å; S133-E137 VanDerWaalsContact CB-OE2 3.23Å; S133-E137 WeakPolarHBondContact CB-OE2 3.38Å; S133-E137 VanDerWaalsContact OG-CD 3.26Å; S133-E137 PolarHBondContact OG-OE2 2.83Å; S133-E143 CarbonylContact O-C 3.47Å; S133-E143 WeakPolarHBondContact O-CA 3.43Å; S133-L144 PolarHBondContact N-O 3.22Å; S133-L144 PolarHBondContact O-N 3.06Å
134	P	98.9	Very high	98.8	Very high	62 Å²	62	34 Å²	34	40%	0.403	21%	0.207	S	C	.	.			trans	-64.8	166.1	-173.2	27.1	-34.9	0	0	0	112.4	R78 G136 E137	R78-P134 PolarHBondContact NH2-O 2.79Å; P134-G136 PolarHBondContact O-N 3.17Å; P134-E137 WeakPolarHBondContact CD-OE1 3.26Å; P134-E137 HydrophobicContact CG-CB 4.23Å; P134-E137 WeakPolarHBondContact O-CB 3.33Å; P134-E137 PolarHBondContact O-N 2.96Å
135	D	98.9	Very high	98.8	Very high	97 Å²	97	33.3 Å²	33.3	52%	0.519	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.2	168.6	-179.5	31.8	0	0	0	110.6	E137 P141 G142	D135-E137 PolarHBondContact O-N 2.69Å; D135-P141 WeakPolarHBondContact OD1-CA 3.37Å; D135-G142 PolarHBondContact OD1-N 3.33Å
136	G	98.7	Very high	98.9	Very high	45 Å²	45	31.6 Å²	31.6	46%	0.464	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	-2.4	-178.2	0	0	0	0	0	115.1	P134 E138 G139 Y140	P134-G136 PolarHBondContact O-N 3.17Å; G136-E138 PolarHBondContact O-N 3.25Å; G136-E138 VanDerWaalsContact O-N 3.15Å; G136-G139 PolarHBondContact O-N 2.77Å; G136-Y140 VanDerWaalsContact CA-O 3.27Å; G136-Y140 WeakPolarHBondContact CA-O 3.48Å; G136-Y140 PolarHBondContact N-O 2.81Å
137	E	98.9	Very high	98.9	Very high	37 Å²	37	34.8 Å²	34.8	17%	0.173	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.2	122.6	174.6	-178.2	167.8	-87.2	0	0	110.2	R131 S133 P134 D135 G139 Y140	R131-E137 IonicContact CZ-OE1 3.8Å; R131-E137 IonicContact CZ-OE2 3.27Å; R131-E137 IonicContact NH1-OE1 2.82Å; R131-E137 IonicContact NH1-OE2 3.88Å; R131-E137 PolarHBondContact NH1-OE2 2.92Å; R131-E137 VanDerWaalsContact NH2-CD 3.35Å; R131-E137 IonicContact NH2-OE1 2.76Å; R131-E137 PolarHBondContact NH2-OE1 2.9Å; R131-E137 IonicContact NH2-OE2 3.72Å; R131-E137 PolarHBondContact NH2-OE2 3.18Å; S133-E137 VanDerWaalsContact CB-OE2 3.23Å; S133-E137 WeakPolarHBondContact CB-OE2 3.38Å; S133-E137 VanDerWaalsContact OG-CD 3.26Å; S133-E137 PolarHBondContact OG-OE2 2.83Å; P134-E137 WeakPolarHBondContact CD-OE1 3.26Å; P134-E137 HydrophobicContact CG-CB 4.23Å; P134-E137 WeakPolarHBondContact O-CB 3.33Å; P134-E137 PolarHBondContact O-N 2.96Å; D135-E137 PolarHBondContact O-N 2.69Å; E137-G139 PolarHBondContact O-N 3.4Å; E137-Y140 WeakPolarHBondContact O-CD2 3.34Å; E137-Y140 PolarHBondContact O-N 2.8Å
138	E	98.8	Very high	98.9	Very high	48 Å²	48	34.8 Å²	34.8	22%	0.224	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	54.4	17.9	-175.8	-67	-69.6	152.9	0	0	114.8	L97 G108 G109 V110 R111 G136 Y140	L97-E138 WeakPolarHBondContact CD2-O 3.32Å; G108-E138 VanDerWaalsContact O-CB 3.27Å; G108-E138 WeakPolarHBondContact O-CB 3.37Å; G108-E138 WeakPolarHBondContact O-CG 3.45Å; G109-E138 WeakPolarHBondContact CA-OE2 3.21Å; V110-E138 PolarHBondContact N-OE2 2.86Å; R111-E138 VanDerWaalsContact CA-OE1 3.31Å; R111-E138 WeakPolarHBondContact CA-OE1 3.25Å; R111-E138 VanDerWaalsContact CB-OE1 3.24Å; R111-E138 WeakPolarHBondContact CB-OE1 3.3Å; R111-E138 VanDerWaalsContact N-CD 3.33Å; R111-E138 PolarHBondContact N-OE1 3.32Å; G136-E138 PolarHBondContact O-N 3.25Å; G136-E138 VanDerWaalsContact O-N 3.15Å; E138-Y140 HydrophobicContact CB-CD2 4.03Å; E138-Y140 HydrophobicContact CB-CE2 4.1Å
139	G	98.8	Very high	98.9	Very high	26 Å²	26	33.9 Å²	33.9	27%	0.268	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	92.8	0.5	-179.2	0	0	0	0	0	115.1	G136 E137	G136-G139 PolarHBondContact O-N 2.77Å; E137-G139 PolarHBondContact O-N 3.4Å
140	Y	98.9	Very high	98.9	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.016	19%	0.19	C	C	.	.			trans	-83.2	139.4	179.1	-65.4	-89.7	0	0	0	112.4	R78 V79 I83 F88 L97 G136 E137 E138 P170	R78-Y140 HydrophobicContact CB-CD1 4.43Å; R78-Y140 HydrophobicContact CB-CD2 4.15Å; R78-Y140 HydrophobicContact CB-CE2 4.25Å; R78-Y140 HydrophobicContact CB-CG 4.25Å; V79-Y140 HydrophobicContact CB-CE1 4.16Å; V79-Y140 HydrophobicContact CG2-CD1 4.37Å; V79-Y140 HydrophobicContact CG2-CE1 3.56Å; I83-Y140 HydrophobicContact CD1-CE1 4.19Å; F88-Y140 HydrophobicContact CE1-CD1 4.13Å; F88-Y140 HydrophobicContact CE1-CE1 4.11Å; F88-Y140 AromaticContact CZ-CD1 3.92Å; F88-Y140 HydrophobicContact CZ-CD1 3.92Å; F88-Y140 HydrophobicContact CZ-CE1 4.31Å; L97-Y140 HydrophobicContact CD1-CE1 3.99Å; L97-Y140 HydrophobicContact CD1-CE2 4.3Å; L97-Y140 WeakPolarHBondContact CD1-OH 3.45Å; L97-Y140 HydrophobicContact CD2-CD1 4.17Å; L97-Y140 HydrophobicContact CD2-CD2 3.76Å; L97-Y140 HydrophobicContact CD2-CE1 3.96Å; L97-Y140 HydrophobicContact CD2-CE2 3.53Å; L97-Y140 HydrophobicContact CD2-CG 4.07Å; G136-Y140 VanDerWaalsContact CA-O 3.27Å; G136-Y140 WeakPolarHBondContact CA-O 3.48Å; G136-Y140 PolarHBondContact N-O 2.81Å; E137-Y140 WeakPolarHBondContact O-CD2 3.34Å; E137-Y140 PolarHBondContact O-N 2.8Å; E138-Y140 HydrophobicContact CB-CD2 4.03Å; E138-Y140 HydrophobicContact CB-CE2 4.1Å; Y140-P170 HydrophobicContact CD1-CG 3.99Å; Y140-P170 HydrophobicContact CE1-CG 4.1Å
141	P	98.8	Very high	98.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.013	19%	0.188	C	C	.	.			trans	-74	151.5	176.1	26.3	-30.5	0	0	0	112.9	R78 Y95 D135 A168 T169	R78-P141 PolarHBondContact NH1-O 3.04Å; Y95-P141 HydrophobicContact CD1-CB 4.27Å; Y95-P141 HydrophobicContact CD1-CG 4.09Å; Y95-P141 HydrophobicContact CE1-CB 3.46Å; Y95-P141 VanDerWaalsContact CE1-CB 3.46Å; Y95-P141 HydrophobicContact CE1-CG 3.64Å; Y95-P141 HydrophobicContact CE2-CG 4.14Å; D135-P141 WeakPolarHBondContact OD1-CA 3.37Å; P141-A168 WeakPolarHBondContact CG-O 3.39Å; P141-T169 WeakPolarHBondContact O-CB 3.33Å; P141-T169 PolarHBondContact O-OG1 3.04Å
142	G	98.8	Very high	98.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	79.9	143.7	171.2	0	0	0	0	0	113.4	R78 D135 L144	R78-G142 PolarHBondContact NH1-O 2.88Å; R78-G142 PolarHBondContact NH2-O 2.96Å; D135-G142 PolarHBondContact OD1-N 3.33Å; G142-L144 PolarHBondContact O-N 2.94Å
143	E	98.9	Very high	98.9	Very high	70 Å²	70	33.1 Å²	33.1	33%	0.327	19%	0.185	S	C	.	.			trans	-65.5	130.3	163	-178.1	-175.9	101.5	0	0	108.2	V132 S133 K145 A165 S166	V132-E143 VanDerWaalsContact CG1-CD 3.49Å; V132-E143 HydrophobicContact CG1-CG 3.38Å; S133-E143 CarbonylContact O-C 3.47Å; S133-E143 WeakPolarHBondContact O-CA 3.43Å; E143-K145 WeakPolarHBondContact OE1-CE 3.39Å; E143-K145 IonicContact OE1-NZ 3.24Å; E143-A165 CarbonylContact O-C 3.38Å; E143-A165 WeakPolarHBondContact O-CA 3.46Å; E143-S166 WeakPolarHBondContact CB-OG 3.34Å; E143-S166 PolarHBondContact N-OG 2.76Å; E143-S166 PolarHBondContact O-N 3.23Å
144	L	98.9	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.9	173.4	-171.3	76.2	0	0	0	109.3	R78 F113 S133 G142 V146 A163 Q164 A165 T169 V171 L325	R78-L144 HydrophobicContact CG-CD2 3.66Å; F113-L144 HydrophobicContact CE2-CD2 4.42Å; F113-L144 HydrophobicContact CZ-CD2 4.15Å; S133-L144 PolarHBondContact N-O 3.22Å; S133-L144 PolarHBondContact O-N 3.06Å; G142-L144 PolarHBondContact O-N 2.94Å; L144-V146 HydrophobicContact CB-CG2 4.5Å; L144-V146 HydrophobicContact CD2-CG2 3.62Å; L144-V146 HydrophobicContact CG-CG2 3.7Å; L144-A163 HydrophobicContact CD1-CB 3.82Å; L144-A163 HydrophobicContact CD2-CB 4.32Å; L144-A163 HydrophobicContact CG-CB 4.1Å; L144-Q164 WeakPolarHBondContact CA-O 3.19Å; L144-A165 HydrophobicContact CD1-CB 3.86Å; L144-T169 HydrophobicContact CD1-CG2 4.26Å; L144-V171 HydrophobicContact CD1-CG2 3.76Å; L144-V171 HydrophobicContact CD2-CG1 4.27Å; L144-V171 HydrophobicContact CD2-CG2 3.94Å; L144-L325 HydrophobicContact CD1-CD2 3.76Å
145	K	98.9	Very high	98.8	Very high	87 Å²	87	31.5 Å²	31.5	38%	0.378	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130	168.8	-61.3	-179.5	-175.8	173.5	0	108	V132 E143 W147 A163 Q164	V132-K145 HydrophobicContact CG2-CG 4.33Å; E143-K145 WeakPolarHBondContact OE1-CE 3.39Å; E143-K145 IonicContact OE1-NZ 3.24Å; K145-W147 HydrophobicContact CB-CH2 3.62Å; K145-W147 HydrophobicContact CB-CZ2 4.29Å; K145-W147 HydrophobicContact CB-CZ3 3.88Å; K145-W147 HydrophobicContact CD-CH2 4.33Å; K145-A163 CarbonylContact O-C 3.57Å; K145-A163 WeakPolarHBondContact O-CA 3.46Å; K145-A163 WeakPolarHBondContact O-CB 3.19Å; K145-Q164 PolarHBondContact N-O 2.92Å; K145-Q164 PolarHBondContact O-N 2.84Å
146	V	98.9	Very high	98.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.1	-174.6	-170.3	0	0	0	0	110	F113 W118 S130 R131 L144 V148 R162 A163 L173	F113-V146 HydrophobicContact CE2-CG2 3.88Å; F113-V146 HydrophobicContact CZ-CG2 4.18Å; W118-V146 HydrophobicContact CH2-CB 3.74Å; W118-V146 HydrophobicContact CH2-CG1 3.6Å; W118-V146 HydrophobicContact CZ3-CB 3.86Å; W118-V146 HydrophobicContact CZ3-CG1 3.88Å; S130-V146 CarbonylContact C-O 3.51Å; S130-V146 VanDerWaalsContact CA-O 3.24Å; S130-V146 WeakPolarHBondContact CA-O 3.43Å; R131-V146 PolarHBondContact N-O 3.34Å; R131-V146 PolarHBondContact O-N 3.49Å; L144-V146 HydrophobicContact CB-CG2 4.5Å; L144-V146 HydrophobicContact CD2-CG2 3.62Å; L144-V146 HydrophobicContact CG-CG2 3.7Å; V146-V148 HydrophobicContact CG1-CG2 4.37Å; V146-R162 CarbonylContact C-O 3.53Å; V146-R162 VanDerWaalsContact CA-O 3.32Å; V146-R162 WeakPolarHBondContact CA-O 3.34Å; V146-A163 HydrophobicContact CG2-CB 4.17Å; V146-L173 HydrophobicContact CG1-CD1 3.65Å
147	W	98.9	Very high	98.8	Very high	68 Å²	68	27.2 Å²	27.2	26%	0.258	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.9	170.2	-59.2	-95.7	0	0	0	109.4	Q128 F129 K145 R162 Q164	Q128-W147 HydrophobicContact CG-CB 4.45Å; F129-W147 CarbonylContact O-C 3.58Å; F129-W147 VanDerWaalsContact O-CA 3.27Å; F129-W147 WeakPolarHBondContact O-CA 3.37Å; K145-W147 HydrophobicContact CB-CH2 3.62Å; K145-W147 HydrophobicContact CB-CZ2 4.29Å; K145-W147 HydrophobicContact CB-CZ3 3.88Å; K145-W147 HydrophobicContact CD-CH2 4.33Å; W147-R162 HydrophobicContact CB-CB 4.31Å; W147-R162 HydrophobicContact CE3-CB 4.16Å; W147-R162 PolarHBondContact N-O 2.81Å; W147-R162 PolarHBondContact O-N 3.43Å; W147-Q164 HydrophobicContact CZ3-CB 4.46Å; W147-Q164 HydrophobicContact CZ3-CG 4.21Å
148	V	98.9	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.1	172.3	-174.3	0	0	0	0	107.7	V75 W118 Q128 F129 V146 Y150 V159 N160 Y161	V75-V148 HydrophobicContact CG1-CG2 4.22Å; V75-V148 HydrophobicContact CG2-CG1 3.96Å; V75-V148 HydrophobicContact CG2-CG2 4.26Å; W118-V148 HydrophobicContact CH2-CG2 4.08Å; W118-V148 HydrophobicContact CZ3-CG2 3.97Å; Q128-V148 CarbonylContact C-O 3.59Å; Q128-V148 WeakPolarHBondContact CA-O 3.32Å; F129-V148 PolarHBondContact N-O 3.21Å; F129-V148 PolarHBondContact O-N 3.24Å; V146-V148 HydrophobicContact CG1-CG2 4.37Å; V148-Y150 HydrophobicContact CB-CE2 4.47Å; V148-Y150 HydrophobicContact CG1-CD2 4.1Å; V148-Y150 HydrophobicContact CG1-CE2 3.46Å; V148-Y150 VanDerWaalsContact CG1-CE2 3.46Å; V148-V159 HydrophobicContact CG1-CG1 4.02Å; V148-N160 CarbonylContact C-O 3.53Å; V148-N160 WeakPolarHBondContact CA-O 3.42Å; V148-Y161 HydrophobicContact CG1-CD1 4.22Å; V148-Y161 HydrophobicContact CG1-CE1 4.11Å; V148-Y161 HydrophobicContact CG2-CD1 4.13Å
149	T	99	Very high	98.8	Very high	19 Å²	19	24.3 Å²	24.3	12%	0.117	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.6	-176.9	-50.6	0	0	0	0	110	L123 Q128 T151 V159 N160	L123-T149 HydrophobicContact CD1-CG2 3.55Å; Q128-T149 HydrophobicContact CB-CG2 4.27Å; Q128-T149 PolarHBondContact NE2-OG1 3.46Å; T149-T151 HydrophobicContact CG2-CG2 4.22Å; T149-V159 WeakPolarHBondContact O-CA 3.36Å; T149-N160 PolarHBondContact N-O 3.18Å; T149-N160 PolarHBondContact O-N 2.98Å
150	Y	98.9	Very high	98.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.9	171.8	-64.6	-90.3	0	0	0	109.4	I33 C38 I40 V75 G126 V127 F129 V148 L157 V158 V159 N175	I33-Y150 HydrophobicContact CD1-CD1 3.82Å; I33-Y150 HydrophobicContact CD1-CD2 3.94Å; I33-Y150 HydrophobicContact CD1-CG 3.5Å; I33-Y150 VanDerWaalsContact CD1-CG 3.5Å; I33-Y150 HydrophobicContact CG2-CD2 4.35Å; I33-Y150 HydrophobicContact CG2-CE2 4.18Å; C38-Y150 HydrophobicContact CB-CE2 4.03Å; C38-Y150 PolarHBondContact O-OH 3.29Å; I40-Y150 HydrophobicContact CD1-CE1 4Å; I40-Y150 HydrophobicContact CG1-CE1 4.13Å; V75-Y150 VanDerWaalsContact CG2-OH 3.28Å; V75-Y150 WeakPolarHBondContact CG2-OH 3.4Å; G126-Y150 CarbonylContact C-O 3.58Å; G126-Y150 WeakPolarHBondContact CA-O 3.47Å; V127-Y150 PolarHBondContact N-O 3.43Å; V127-Y150 PolarHBondContact O-N 3.4Å; F129-Y150 AromaticContact CD2-CD2 3.9Å; F129-Y150 HydrophobicContact CD2-CD2 3.9Å; F129-Y150 AromaticContact CD2-CE2 3.93Å; F129-Y150 HydrophobicContact CD2-CE2 3.93Å; F129-Y150 AromaticContact CE2-CD2 3.76Å; F129-Y150 HydrophobicContact CE2-CD2 3.76Å; F129-Y150 AromaticContact CE2-CE2 3.93Å; F129-Y150 HydrophobicContact CE2-CE2 3.93Å; V148-Y150 HydrophobicContact CB-CE2 4.47Å; V148-Y150 HydrophobicContact CG1-CD2 4.1Å; V148-Y150 HydrophobicContact CG1-CE2 3.46Å; V148-Y150 VanDerWaalsContact CG1-CE2 3.46Å; Y150-L157 HydrophobicContact CD1-CD1 4.33Å; Y150-V158 WeakPolarHBondContact CA-O 3.43Å; Y150-V159 HydrophobicContact CD1-CB 4.21Å; Y150-V159 HydrophobicContact CD1-CG1 3.91Å; Y150-V159 HydrophobicContact CD1-CG2 3.55Å; Y150-V159 HydrophobicContact CE1-CB 4.06Å; Y150-V159 HydrophobicContact CE1-CG1 3.47Å; Y150-V159 VanDerWaalsContact CE1-CG1 3.47Å; Y150-V159 HydrophobicContact CE1-CG2 3.44Å; Y150-V159 VanDerWaalsContact CE1-CG2 3.44Å; Y150-N175 PolarHBondContact OH-ND2 3.43Å
151	T	98.9	Very high	98.8	Very high	34 Å²	34	24 Å²	24	21%	0.209	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.3	171.3	55.7	0	0	0	0	110.5	L123 N125 T149 V158	L123-T151 HydrophobicContact CD1-CG2 4.46Å; N125-T151 WeakPolarHBondContact O-CA 3.24Å; T149-T151 HydrophobicContact CG2-CG2 4.22Å; T151-V158 PolarHBondContact N-O 3.23Å; T151-V158 PolarHBondContact O-N 3.36Å
152	L	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.7	-179.7	179.4	65.5	0	0	0	110.2	A2 L24 L29 V31 N125 L157	A2-L152 HydrophobicContact CB-CB 3.71Å; A2-L152 HydrophobicContact CB-CD2 3.82Å; A2-L152 HydrophobicContact CB-CG 3.84Å; A2-L152 VanDerWaalsContact CB-O 3.26Å; A2-L152 WeakPolarHBondContact CB-O 3.43Å; L24-L152 HydrophobicContact CB-CB 4.1Å; L24-L152 HydrophobicContact CB-CD2 3.85Å; L24-L152 HydrophobicContact CD1-CB 4.2Å; L29-L152 HydrophobicContact CB-CD1 4.1Å; L29-L152 HydrophobicContact CB-CD2 4.34Å; L29-L152 HydrophobicContact CD1-CD1 3.88Å; V31-L152 HydrophobicContact CG2-CD1 4.33Å; V31-L152 HydrophobicContact CG2-CD2 4.17Å; N125-L152 PolarHBondContact O-N 2.88Å; L152-L157 HydrophobicContact CD1-CB 4.42Å
153	D	98.3	Very high	98.8	Very high	96 Å²	96	29 Å²	29	51%	0.513	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	120.9	169	-166.1	29.6	0	0	0	111.3	M1 G155 E156	M1-D153 PolarHBondContact N-OD1 3.08Å; D153-G155 PolarHBondContact O-N 3.2Å; D153-G155 VanDerWaalsContact O-N 3.12Å; D153-E156 PolarHBondContact N-O 2.89Å; D153-E156 VanDerWaalsContact N-O 3.14Å; D153-E156 PolarHBondContact O-N 2.87Å
154	G	98.1	Very high	98.8	Very high	16 Å²	16	29.4 Å²	29.4	17%	0.165	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-118.8	-170.9	0	0	0	0	0	111.7	S26	S26-G154 WeakPolarHBondContact CB-O 3.4Å; S26-G154 PolarHBondContact OG-O 2.84Å
155	G	98.1	Very high	98.8	Very high	11 Å²	11	30 Å²	30	11%	0.113	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	7.8	-180	0	0	0	0	0	114.9	L29 D153 F339	L29-G155 WeakPolarHBondContact CD1-O 3.36Å; D153-G155 PolarHBondContact O-N 3.2Å; D153-G155 VanDerWaalsContact O-N 3.12Å; G155-F339 PolarHBondContact O-N 3.49Å
156	E	98.8	Very high	98.8	Very high	53 Å²	53	29.1 Å²	29.1	25%	0.248	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.2	-177.3	-163.1	176.3	-121.1	0	0	110.8	D153 V158 K254 W336 K338	D153-E156 PolarHBondContact N-O 2.89Å; D153-E156 VanDerWaalsContact N-O 3.14Å; D153-E156 PolarHBondContact O-N 2.87Å; E156-V158 HydrophobicContact CG-CG2 4.17Å; E156-K254 IonicContact OE1-NZ 3.79Å; E156-K254 PolarHBondContact OE1-NZ 2.99Å; E156-W336 HydrophobicContact CG-CB 4.23Å; E156-K338 HydrophobicContact CB-CG 4.5Å; E156-K338 HydrophobicContact CG-CB 4.15Å; E156-K338 HydrophobicContact CG-CG 4.45Å
157	L	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.6	168	171.6	64	0	0	0	108.4	V31 I40 L43 Y150 L152 F337	V31-L157 HydrophobicContact CG1-CD1 4.32Å; V31-L157 HydrophobicContact CG1-CD2 3.97Å; V31-L157 HydrophobicContact CG2-CD1 4.36Å; V31-L157 HydrophobicContact CG2-CD2 4.3Å; I40-L157 HydrophobicContact CD1-CD2 4.1Å; L43-L157 HydrophobicContact CD1-CD2 3.98Å; Y150-L157 HydrophobicContact CD1-CD1 4.33Å; L152-L157 HydrophobicContact CD1-CB 4.42Å; L157-F337 HydrophobicContact CB-CB 4.34Å; L157-F337 PolarHBondContact N-O 2.98Å; L157-F337 PolarHBondContact O-N 3.27Å
158	V	98.9	Very high	98.8	Very high	23 Å²	23	30.5 Å²	30.5	14%	0.139	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.2	179.8	-170.9	0	0	0	0	109.5	Y150 T151 E156 T334 W336	Y150-V158 WeakPolarHBondContact CA-O 3.43Å; T151-V158 PolarHBondContact N-O 3.23Å; T151-V158 PolarHBondContact O-N 3.36Å; E156-V158 HydrophobicContact CG-CG2 4.17Å; V158-T334 HydrophobicContact CG1-CG2 3.48Å; V158-T334 VanDerWaalsContact CG1-CG2 3.48Å; V158-W336 HydrophobicContact CG1-CG 4.33Å; V158-W336 VanDerWaalsContact CG2-CD1 3.41Å; V158-W336 HydrophobicContact CG2-CG 4.3Å
159	V	98.9	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.2	174.5	-165.1	0	0	0	0	108.6	V148 T149 Y150 Y161 T334 T335 F337	V148-V159 HydrophobicContact CG1-CG1 4.02Å; T149-V159 WeakPolarHBondContact O-CA 3.36Å; Y150-V159 HydrophobicContact CD1-CB 4.21Å; Y150-V159 HydrophobicContact CD1-CG1 3.91Å; Y150-V159 HydrophobicContact CD1-CG2 3.55Å; Y150-V159 HydrophobicContact CE1-CB 4.06Å; Y150-V159 HydrophobicContact CE1-CG1 3.47Å; Y150-V159 VanDerWaalsContact CE1-CG1 3.47Å; Y150-V159 HydrophobicContact CE1-CG2 3.44Å; Y150-V159 VanDerWaalsContact CE1-CG2 3.44Å; V159-Y161 HydrophobicContact CB-CE2 4.27Å; V159-Y161 HydrophobicContact CG1-CE1 4.05Å; V159-Y161 HydrophobicContact CG1-CE2 3.81Å; V159-Y161 WeakPolarHBondContact CG1-OH 3.34Å; V159-T334 CarbonylContact O-C 3.52Å; V159-T334 WeakPolarHBondContact O-CA 3.24Å; V159-T335 PolarHBondContact N-O 3.33Å; V159-T335 PolarHBondContact O-N 2.8Å; V159-F337 HydrophobicContact CG2-CD2 4.06Å; V159-F337 HydrophobicContact CG2-CE2 3.78Å
160	N	98.9	Very high	98.8	Very high	23 Å²	23	29.6 Å²	29.6	12%	0.123	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.9	175.6	173.1	-101.8	0	0	0	110.3	V148 T149 D332 H333 T334	V148-N160 CarbonylContact C-O 3.53Å; V148-N160 WeakPolarHBondContact CA-O 3.42Å; T149-N160 PolarHBondContact N-O 3.18Å; T149-N160 PolarHBondContact O-N 2.98Å; N160-D332 PolarHBondContact ND2-OD1 3.33Å; N160-H333 CarbonylContact C-O 3.3Å; N160-H333 WeakPolarHBondContact CA-O 3.49Å; N160-H333 PolarHBondContact ND2-O 2.97Å; N160-T334 HydrophobicContact CB-CG2 4.42Å; N160-T334 PolarHBondContact ND2-OG1 2.79Å
161	Y	98.9	Very high	98.8	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.8	179.5	-55.5	-87.7	0	0	0	108.7	V75 V148 V159 L173 N175 D332 H333	V75-Y161 HydrophobicContact CG1-CE1 4.16Å; V75-Y161 HydrophobicContact CG2-CE1 4.13Å; V148-Y161 HydrophobicContact CG1-CD1 4.22Å; V148-Y161 HydrophobicContact CG1-CE1 4.11Å; V148-Y161 HydrophobicContact CG2-CD1 4.13Å; V159-Y161 HydrophobicContact CB-CE2 4.27Å; V159-Y161 HydrophobicContact CG1-CE1 4.05Å; V159-Y161 HydrophobicContact CG1-CE2 3.81Å; V159-Y161 WeakPolarHBondContact CG1-OH 3.34Å; Y161-L173 HydrophobicContact CD1-CB 3.76Å; Y161-L173 HydrophobicContact CD1-CD1 4.32Å; Y161-L173 HydrophobicContact CE1-CB 4.3Å; Y161-L173 HydrophobicContact CG-CB 4.09Å; Y161-N175 WeakPolarHBondContact OH-CB 3.42Å; Y161-N175 PolarHBondContact OH-N 3.33Å; Y161-N175 VanDerWaalsContact OH-N 3.15Å; Y161-D332 WeakPolarHBondContact O-CA 3.33Å; Y161-H333 PolarHBondContact N-O 2.73Å; Y161-H333 PolarHBondContact O-N 2.9Å
162	R	98.9	Very high	98.8	Very high	106 Å²	106	28.1 Å²	28.1	40%	0.4	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.9	170.7	-74.1	178.4	179.2	-178.7	-5.1	111.6	V146 W147 E330 Y331 D332	V146-R162 CarbonylContact C-O 3.53Å; V146-R162 VanDerWaalsContact CA-O 3.32Å; V146-R162 WeakPolarHBondContact CA-O 3.34Å; W147-R162 HydrophobicContact CB-CB 4.31Å; W147-R162 HydrophobicContact CE3-CB 4.16Å; W147-R162 PolarHBondContact N-O 2.81Å; W147-R162 PolarHBondContact O-N 3.43Å; R162-E330 IonicContact NE-OE1 3.78Å; R162-Y331 CarbonylContact C-O 3.47Å; R162-Y331 WeakPolarHBondContact CA-O 3.22Å; R162-D332 HydrophobicContact CG-CB 4.23Å; R162-D332 IonicContact CZ-OD2 3.55Å; R162-D332 IonicContact NE-OD1 2.82Å; R162-D332 IonicContact NE-OD2 3.59Å; R162-D332 PolarHBondContact NE-OD2 3.4Å; R162-D332 IonicContact NH2-OD2 2.64Å; R162-D332 PolarHBondContact NH2-OD2 3.01Å; R162-D332 VanDerWaalsContact NH2-OD2 3.09Å
163	A	98.9	Very high	98.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.6	171.4	0	0	0	0	0	113.9	L144 K145 V146 V171 L325 Y331	L144-A163 HydrophobicContact CD1-CB 3.82Å; L144-A163 HydrophobicContact CD2-CB 4.32Å; L144-A163 HydrophobicContact CG-CB 4.1Å; K145-A163 CarbonylContact O-C 3.57Å; K145-A163 WeakPolarHBondContact O-CA 3.46Å; K145-A163 WeakPolarHBondContact O-CB 3.19Å; V146-A163 HydrophobicContact CG2-CB 4.17Å; A163-V171 HydrophobicContact CB-CG1 4.49Å; A163-L325 HydrophobicContact CB-CD2 4.24Å; A163-Y331 HydrophobicContact CB-CD1 4.5Å; A163-Y331 HydrophobicContact CB-CG 4.48Å; A163-Y331 PolarHBondContact N-O 2.86Å; A163-Y331 PolarHBondContact O-N 3.47Å
164	Q	98.9	Very high	98.8	Very high	80 Å²	80	23.6 Å²	23.6	37%	0.374	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.7	175.4	-69.4	177.6	-8.9	0	0	109.2	L144 K145 W147 E330	L144-Q164 WeakPolarHBondContact CA-O 3.19Å; K145-Q164 PolarHBondContact N-O 2.92Å; K145-Q164 PolarHBondContact O-N 2.84Å; W147-Q164 HydrophobicContact CZ3-CB 4.46Å; W147-Q164 HydrophobicContact CZ3-CG 4.21Å; Q164-E330 HydrophobicContact CG-CG 4.48Å; Q164-E330 PolarHBondContact NE2-OE2 3.01Å
165	A	98.9	Very high	98.9	Very high	11 Å²	11	23 Å²	23	9%	0.091	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142	-177.5	0	0	0	0	0	112.2	E143 L144 Q167 T169 L325 P327	E143-A165 CarbonylContact O-C 3.38Å; E143-A165 WeakPolarHBondContact O-CA 3.46Å; L144-A165 HydrophobicContact CD1-CB 3.86Å; A165-Q167 WeakPolarHBondContact CB-O 3.43Å; A165-T169 HydrophobicContact CB-CG2 3.83Å; A165-L325 HydrophobicContact CB-CD2 3.87Å; A165-L325 HydrophobicContact CB-CG 4.03Å; A165-P327 WeakPolarHBondContact O-CA 3.39Å
166	S	98.8	Very high	98.9	Very high	69 Å²	69	22.8 Å²	22.8	48%	0.483	12%	0.116	S	C	.	.	S	Bend	trans	-83.7	-17.4	173	73.2	0	0	0	0	113.6	E143 P327	E143-S166 WeakPolarHBondContact CB-OG 3.34Å; E143-S166 PolarHBondContact N-OG 2.76Å; E143-S166 PolarHBondContact O-N 3.23Å; S166-P327 WeakPolarHBondContact O-CG 3.49Å
167	Q	98.8	Very high	98.9	Very high	89 Å²	89	20.3 Å²	20.3	42%	0.416	10%	0.104	S	C	.	.	S	Bend	trans	-139	162.6	171.2	-63.8	-177.7	-25.9	0	0	109.6	A165 T169	A165-Q167 WeakPolarHBondContact CB-O 3.43Å; Q167-T169 PolarHBondContact O-N 2.82Å
168	A	98.9	Very high	98.9	Very high	10 Å²	10	20.5 Å²	20.5	8%	0.083	11%	0.105	C	C	.	.			trans	-60.2	125.1	174.5	0	0	0	0	0	110.4	V90 P141 L325 R326	V90-A168 HydrophobicContact CG1-CB 3.68Å; P141-A168 WeakPolarHBondContact CG-O 3.39Å; A168-L325 WeakPolarHBondContact CA-O 3.47Å; A168-R326 HydrophobicContact CB-CG 4.09Å
169	T	98.9	Very high	98.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	144.6	-175.3	-157.7	0	0	0	0	110.6	R78 P141 L144 A165 Q167 V171 L325	R78-T169 PolarHBondContact NH1-OG1 3.24Å; P141-T169 WeakPolarHBondContact O-CB 3.33Å; P141-T169 PolarHBondContact O-OG1 3.04Å; L144-T169 HydrophobicContact CD1-CG2 4.26Å; A165-T169 HydrophobicContact CB-CG2 3.83Å; Q167-T169 PolarHBondContact O-N 2.82Å; T169-V171 HydrophobicContact CG2-CG2 3.83Å; T169-L325 PolarHBondContact N-O 2.63Å; T169-L325 PolarHBondContact O-N 2.84Å
170	P	98.9	Very high	98.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.6	172.8	30.7	-35.5	0	0	0	110.4	V79 F88 Y140 V315 V323 L324	V79-P170 HydrophobicContact CG2-CB 3.8Å; V79-P170 HydrophobicContact CG2-CG 3.92Å; V79-P170 WeakPolarHBondContact CG2-O 3.35Å; F88-P170 HydrophobicContact CD2-CG 4.26Å; F88-P170 HydrophobicContact CE1-CG 4.45Å; F88-P170 HydrophobicContact CE2-CG 3.71Å; F88-P170 HydrophobicContact CZ-CG 3.82Å; Y140-P170 HydrophobicContact CD1-CG 3.99Å; Y140-P170 HydrophobicContact CE1-CG 4.1Å; P170-V315 HydrophobicContact CB-CB 4.41Å; P170-V315 HydrophobicContact CB-CG2 4.02Å; P170-V315 HydrophobicContact CG-CG2 4.22Å; P170-V323 WeakPolarHBondContact CA-O 3.47Å; P170-V323 HydrophobicContact CB-CG1 3.97Å; P170-V323 HydrophobicContact CB-CG2 4.24Å; P170-L324 HydrophobicContact CB-CD2 4.17Å
171	V	98.9	Very high	98.9	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	9%	0.093	C	C	.	.			trans	-134.1	127.4	176.4	-176	0	0	0	0	109.3	L144 A163 T169 L173 V323 L325 Y331	L144-V171 HydrophobicContact CD1-CG2 3.76Å; L144-V171 HydrophobicContact CD2-CG1 4.27Å; L144-V171 HydrophobicContact CD2-CG2 3.94Å; A163-V171 HydrophobicContact CB-CG1 4.49Å; T169-V171 HydrophobicContact CG2-CG2 3.83Å; V171-L173 HydrophobicContact CG1-CD1 4.31Å; V171-L173 HydrophobicContact CG1-CD2 4.31Å; V171-L173 HydrophobicContact CG1-CG 3.94Å; V171-V323 PolarHBondContact N-O 2.84Å; V171-V323 WeakPolarHBondContact O-CG2 3.27Å; V171-L325 HydrophobicContact CB-CB 4.42Å; V171-L325 HydrophobicContact CG2-CB 3.81Å; V171-L325 HydrophobicContact CG2-CD2 3.98Å; V171-Y331 HydrophobicContact CB-CD2 3.99Å; V171-Y331 HydrophobicContact CB-CE2 4.25Å; V171-Y331 HydrophobicContact CG1-CD1 4.47Å; V171-Y331 HydrophobicContact CG1-CD2 3.71Å; V171-Y331 HydrophobicContact CG1-CE2 3.83Å; V171-Y331 HydrophobicContact CG1-CG 4.05Å
172	N	98.9	Very high	98.9	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-149.8	103.8	174	-173.9	16.6	0	0	0	108.5	R78 V79 A80 N310 V323	R78-N172 PolarHBondContact O-N 3.28Å; R78-N172 VanDerWaalsContact O-N 3.08Å; V79-N172 HydrophobicContact CG1-CB 4.02Å; A80-N172 WeakPolarHBondContact CB-O 3.47Å; A80-N172 PolarHBondContact N-O 3.3Å; N172-N310 PolarHBondContact ND2-O 2.93Å; N172-N310 PolarHBondContact OD1-N 2.74Å; N172-V323 HydrophobicContact CB-CG2 4.23Å
173	L	98.9	Very high	98.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.09	C	C	.	.			trans	-109.7	140.4	-174.3	-54.3	-178.5	0	0	0	110.5	I76 F113 V146 Y161 V171 Y331	I76-L173 WeakPolarHBondContact O-CA 3.3Å; I76-L173 WeakPolarHBondContact O-CD2 3.08Å; F113-L173 HydrophobicContact CD2-CD2 3.81Å; F113-L173 HydrophobicContact CE2-CD2 3.67Å; V146-L173 HydrophobicContact CG1-CD1 3.65Å; Y161-L173 HydrophobicContact CD1-CB 3.76Å; Y161-L173 HydrophobicContact CD1-CD1 4.32Å; Y161-L173 HydrophobicContact CE1-CB 4.3Å; Y161-L173 HydrophobicContact CG-CB 4.09Å; V171-L173 HydrophobicContact CG1-CD1 4.31Å; V171-L173 HydrophobicContact CG1-CD2 4.31Å; V171-L173 HydrophobicContact CG1-CG 3.94Å; L173-Y331 HydrophobicContact CB-CE1 4.31Å; L173-Y331 HydrophobicContact CD1-CE1 4.22Å; L173-Y331 HydrophobicContact CG-CE1 4.28Å; L173-Y331 PolarHBondContact N-OH 2.96Å; L173-Y331 VanDerWaalsContact N-OH 3.1Å
174	T	98.9	Very high	98.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	179.2	177.6	-169.2	0	0	0	0	110.7	V75 I76 A80 E307 T308	V75-T174 WeakPolarHBondContact CA-O 3.49Å; I76-T174 HydrophobicContact CB-CG2 3.91Å; I76-T174 HydrophobicContact CG1-CG2 4.26Å; I76-T174 HydrophobicContact CG2-CG2 4.49Å; I76-T174 PolarHBondContact N-O 3.23Å; I76-T174 PolarHBondContact O-N 2.88Å; A80-T174 HydrophobicContact CB-CG2 3.6Å; T174-E307 HydrophobicContact CG2-CB 3.95Å; T174-E307 HydrophobicContact CG2-CG 4.44Å; T174-E307 WeakPolarHBondContact OG1-CA 3.25Å; T174-E307 WeakPolarHBondContact OG1-CB 3.34Å; T174-T308 WeakPolarHBondContact CB-O 3.4Å; T174-T308 PolarHBondContact OG1-N 3.06Å; T174-T308 PolarHBondContact OG1-O 3.24Å
175	N	98.9	Very high	98.7	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.4	170.7	-175.9	-77.3	0	0	0	110.1	G73 A74 Y150 Y161 S177	G73-N175 PolarHBondContact O-ND2 3.41Å; G73-N175 PolarHBondContact O-OD1 2.8Å; A74-N175 CarbonylContact O-C 3.51Å; A74-N175 WeakPolarHBondContact O-CA 3.48Å; Y150-N175 PolarHBondContact OH-ND2 3.43Å; Y161-N175 WeakPolarHBondContact OH-CB 3.42Å; Y161-N175 PolarHBondContact OH-N 3.33Å; Y161-N175 VanDerWaalsContact OH-N 3.15Å; N175-S177 PolarHBondContact O-N 3.37Å; N175-S177 VanDerWaalsContact OD1-CB 3.31Å; N175-S177 WeakPolarHBondContact OD1-CB 3.37Å; N175-S177 PolarHBondContact OD1-N 3.42Å; N175-S177 PolarHBondContact OD1-OG 3.36Å
176	H	98.9	Very high	98.7	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.028	11%	0.107	C	C	.	.			trans	-102.7	42.1	-173.3	-158.9	-51.8	0	0	0	112.2	Y71 G73 A74 I76 H107 Y178 C305 E307	Y71-H176 WeakPolarHBondContact O-CB 3.48Å; G73-H176 PolarHBondContact N-O 2.84Å; A74-H176 PolarHBondContact O-N 3.14Å; I76-H176 HydrophobicContact CD1-CB 4.05Å; I76-H176 HydrophobicContact CG1-CB 3.76Å; H107-H176 AromaticContact CE1-CD2 3.96Å; H107-H176 AromaticContact NE2-CD2 3.94Å; H107-H176 AromaticContact NE2-NE2 3.95Å; H176-Y178 AromaticContact CE1-CE2 3.39Å; H176-Y178 WeakPolarHBondContact CE1-CE2 3.44Å; H176-Y178 AromaticContact CE1-CZ 3.43Å; H176-Y178 VanDerWaalsContact CE1-CZ 3.43Å; H176-Y178 PolarHBondContact CE1-OH 3.11Å; H176-Y178 VanDerWaalsContact CE1-OH 3.23Å; H176-Y178 AromaticContact ND1-CD2 3.87Å; H176-Y178 AromaticContact ND1-CE2 3.19Å; H176-Y178 WeakPolarHBondContact ND1-CE2 3.49Å; H176-Y178 AromaticContact ND1-CZ 3.75Å; H176-Y178 WeakPolarHBondContact O-CD2 3.17Å; H176-Y178 PolarHBondContact O-N 3.01Å; H176-C305 PolarHBondContact CE1-SG 3.25Å; H176-C305 PolarHBondContact ND1-SG 3.26Å; H176-C305 VanDerWaalsContact ND1-SG 3.41Å; H176-E307 VanDerWaalsContact CD2-CD 3.4Å; H176-E307 IonicContact CD2-OE1 3.5Å; H176-E307 IonicContact CD2-OE2 3.3Å; H176-E307 PolarHBondContact CD2-OE2 2.84Å; H176-E307 IonicContact CG-OE2 3.46Å; H176-E307 IonicContact NE2-OE1 2.65Å; H176-E307 IonicContact NE2-OE2 2.73Å
177	S	98.9	Very high	98.6	Very high	1 Å²	1	16 Å²	16	1%	0.007	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-65.9	131.1	172.7	-71.9	0	0	0	0	111.6	N175 F179	N175-S177 PolarHBondContact O-N 3.37Å; N175-S177 VanDerWaalsContact OD1-CB 3.31Å; N175-S177 WeakPolarHBondContact OD1-CB 3.37Å; N175-S177 PolarHBondContact OD1-N 3.42Å; N175-S177 PolarHBondContact OD1-OG 3.36Å; S177-F179 WeakPolarHBondContact O-CD2 3.24Å; S177-F179 WeakPolarHBondContact O-CE2 3.39Å
178	Y	98.9	Very high	98.6	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.012	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-95.5	118.1	171.3	-70.3	-110.5	0	0	0	108.6	V56 L57 P70 F72 H176 Y281 L286 F304 C305	V56-Y178 CarbonylContact C-O 3.47Å; V56-Y178 VanDerWaalsContact CA-O 3.22Å; V56-Y178 WeakPolarHBondContact CA-O 3.45Å; L57-Y178 HydrophobicContact CD1-CD1 4.38Å; L57-Y178 HydrophobicContact CD1-CG 4.35Å; L57-Y178 PolarHBondContact N-O 3.11Å; P70-Y178 WeakPolarHBondContact CB-OH 3.14Å; P70-Y178 VanDerWaalsContact O-CE2 3.29Å; P70-Y178 WeakPolarHBondContact O-CE2 3.5Å; P70-Y178 PolarHBondContact O-OH 3.29Å; F72-Y178 AromaticContact CD1-CD2 3.36Å; F72-Y178 HydrophobicContact CD1-CD2 3.36Å; F72-Y178 AromaticContact CD1-CE2 3.77Å; F72-Y178 HydrophobicContact CD1-CE2 3.77Å; F72-Y178 AromaticContact CD1-CG 3.9Å; F72-Y178 HydrophobicContact CD1-CG 3.9Å; F72-Y178 HydrophobicContact CE1-CD1 4.26Å; F72-Y178 AromaticContact CE1-CD2 3.69Å; F72-Y178 HydrophobicContact CE1-CD2 3.69Å; F72-Y178 HydrophobicContact CE1-CE2 4Å; F72-Y178 AromaticContact CE1-CG 3.81Å; F72-Y178 HydrophobicContact CE1-CG 3.81Å; F72-Y178 HydrophobicContact CG-CD2 4.33Å; F72-Y178 HydrophobicContact CG-CE2 4.45Å; H176-Y178 AromaticContact CE1-CE2 3.39Å; H176-Y178 WeakPolarHBondContact CE1-CE2 3.44Å; H176-Y178 AromaticContact CE1-CZ 3.43Å; H176-Y178 VanDerWaalsContact CE1-CZ 3.43Å; H176-Y178 PolarHBondContact CE1-OH 3.11Å; H176-Y178 VanDerWaalsContact CE1-OH 3.23Å; H176-Y178 AromaticContact ND1-CD2 3.87Å; H176-Y178 AromaticContact ND1-CE2 3.19Å; H176-Y178 WeakPolarHBondContact ND1-CE2 3.49Å; H176-Y178 AromaticContact ND1-CZ 3.75Å; H176-Y178 WeakPolarHBondContact O-CD2 3.17Å; H176-Y178 PolarHBondContact O-N 3.01Å; Y178-Y281 HydrophobicContact CE1-CD1 4.09Å; Y178-Y281 AromaticContact CE1-CE1 3.57Å; Y178-Y281 HydrophobicContact CE1-CE1 3.57Å; Y178-Y281 AromaticContact CZ-CE1 3.86Å; Y178-Y281 WeakPolarHBondContact OH-CE1 3.32Å; Y178-L286 HydrophobicContact CD1-CD1 4.24Å; Y178-L286 HydrophobicContact CE1-CD1 4.21Å; Y178-L286 HydrophobicContact CE1-CG 4.5Å; Y178-F304 CarbonylContact C-O 3.58Å; Y178-F304 WeakPolarHBondContact CA-O 3.46Å; Y178-C305 VanDerWaalsContact CG-SG 3.59Å
179	F	98.9	Very high	98.6	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.013	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-99.3	145.8	-178.8	-59.7	-83.5	0	0	0	111.7	L43 V55 V56 S177 L269 G303 F304 F337 F339	L43-F179 HydrophobicContact CD1-CE1 4.29Å; V55-F179 CarbonylContact O-C 3.59Å; V55-F179 VanDerWaalsContact O-CA 3.29Å; V55-F179 WeakPolarHBondContact O-CA 3.49Å; V56-F179 HydrophobicContact CG1-CD1 3.63Å; V56-F179 HydrophobicContact CG1-CE1 3.69Å; S177-F179 WeakPolarHBondContact O-CD2 3.24Å; S177-F179 WeakPolarHBondContact O-CE2 3.39Å; F179-L269 HydrophobicContact CD1-CD2 4.29Å; F179-L269 HydrophobicContact CD2-CD2 4.37Å; F179-L269 HydrophobicContact CE1-CD2 4.5Å; F179-L269 HydrophobicContact CG-CD2 4.23Å; F179-G303 CarbonylContact O-C 3.56Å; F179-G303 WeakPolarHBondContact O-CA 3.48Å; F179-F304 HydrophobicContact CB-CD1 4.46Å; F179-F304 HydrophobicContact CB-CD2 4.3Å; F179-F304 HydrophobicContact CB-CE1 3.92Å; F179-F304 HydrophobicContact CB-CE2 3.75Å; F179-F304 HydrophobicContact CB-CZ 3.53Å; F179-F304 HydrophobicContact CD2-CE2 4.18Å; F179-F304 HydrophobicContact CG-CE2 4.32Å; F179-F304 HydrophobicContact CG-CZ 4.45Å; F179-F304 PolarHBondContact N-O 3.25Å; F179-F304 VanDerWaalsContact O-CD1 3.24Å; F179-F304 WeakPolarHBondContact O-CD1 3.05Å; F179-F304 WeakPolarHBondContact O-CE1 3.36Å; F179-F304 PolarHBondContact O-N 3.22Å; F179-F337 HydrophobicContact CE2-CE1 4.15Å; F179-F337 AromaticContact CZ-CD1 3.97Å; F179-F337 HydrophobicContact CZ-CD1 3.97Å; F179-F337 AromaticContact CZ-CE1 3.89Å; F179-F337 HydrophobicContact CZ-CE1 3.89Å; F179-F339 HydrophobicContact CD1-CZ 4.44Å; F179-F339 HydrophobicContact CE1-CZ 4.14Å
180	N	98.9	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.114	C	C	.	.			trans	-143.5	107.2	162	-168.9	-38.5	0	0	0	108.5	V55 A182 G183 S186 N188 H192 S302	V55-N180 WeakPolarHBondContact CA-O 3.33Å; V55-N180 VanDerWaalsContact CB-O 3.27Å; V55-N180 WeakPolarHBondContact CB-O 3.32Å; V55-N180 PolarHBondContact O-N 3.01Å; N180-A182 PolarHBondContact O-N 2.95Å; N180-A182 VanDerWaalsContact OD1-CB 3.28Å; N180-A182 WeakPolarHBondContact OD1-CB 3.3Å; N180-A182 PolarHBondContact OD1-N 3.01Å; N180-G183 CarbonylContact O-C 3.54Å; N180-G183 WeakPolarHBondContact O-CA 3.4Å; N180-G183 PolarHBondContact O-N 3.01Å; N180-S186 WeakPolarHBondContact ND2-CB 3.4Å; N180-N188 PolarHBondContact ND2-O 2.76Å; N180-H192 PolarHBondContact OD1-CE1 2.82Å; N180-S302 PolarHBondContact ND2-O 2.77Å
181	L	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.4	-175.7	-55.2	-175.9	0	0	0	113	H192 V260 H262 S265 R267 L269 F339	L181-H192 WeakPolarHBondContact CB-NE2 3.37Å; L181-H192 PolarHBondContact N-NE2 3.16Å; L181-V260 HydrophobicContact CD1-CB 4.12Å; L181-V260 HydrophobicContact CD1-CG1 3.9Å; L181-V260 WeakPolarHBondContact CD1-O 3.46Å; L181-H262 HydrophobicContact CB-CB 3.67Å; L181-H262 HydrophobicContact CD1-CB 4.43Å; L181-S265 PolarHBondContact O-OG 2.93Å; L181-R267 HydrophobicContact CB-CB 4.24Å; L181-R267 WeakPolarHBondContact O-CD 3.27Å; L181-R267 PolarHBondContact O-NH1 3.14Å; L181-L269 HydrophobicContact CD1-CB 4.17Å; L181-L269 HydrophobicContact CD2-CB 4.13Å; L181-F339 HydrophobicContact CD2-CE1 4.17Å
182	A	98.8	Very high	98.6	Very high	30 Å²	30	20.9 Å²	20.9	25%	0.248	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-16.4	165.7	0	0	0	0	0	111.8	N180 H262	N180-A182 PolarHBondContact O-N 2.95Å; N180-A182 VanDerWaalsContact OD1-CB 3.28Å; N180-A182 WeakPolarHBondContact OD1-CB 3.3Å; N180-A182 PolarHBondContact OD1-N 3.01Å; A182-H262 VanDerWaalsContact CB-CE1 3.48Å; A182-H262 WeakPolarHBondContact CB-CE1 3.45Å
183	G	98.7	Very high	98.6	Very high	8 Å²	8	24.4 Å²	24.4	8%	0.082	15%	0.147	C	C	.	.			trans	115.7	148.1	-175.9	0	0	0	0	0	111	D54 N180 G185 S186	D54-G183 WeakPolarHBondContact O-CA 3.33Å; N180-G183 CarbonylContact O-C 3.54Å; N180-G183 WeakPolarHBondContact O-CA 3.4Å; N180-G183 PolarHBondContact O-N 3.01Å; G183-G185 PolarHBondContact O-N 3.03Å; G183-S186 VanDerWaalsContact O-CB 3.28Å; G183-S186 WeakPolarHBondContact O-CB 3.36Å; G183-S186 PolarHBondContact O-N 2.8Å
184	Q	98.2	Very high	98.6	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.7	-172.9	58.9	132.6	-53	0	0	115.7	D54 V56 L57 Y298	D54-Q184 HydrophobicContact CB-CG 4.17Å; D54-Q184 WeakPolarHBondContact O-CG 3.34Å; D54-Q184 PolarHBondContact O-N 2.94Å; D54-Q184 PolarHBondContact OD2-NE2 3.16Å; V56-Q184 VanDerWaalsContact O-CB 3.29Å; V56-Q184 WeakPolarHBondContact O-CB 3.41Å; L57-Q184 HydrophobicContact CD2-CB 3.9Å; L57-Q184 VanDerWaalsContact CD2-O 3.29Å; L57-Q184 WeakPolarHBondContact CD2-O 3.22Å; Q184-Y298 PolarHBondContact OE1-OH 2.81Å
185	G	95.7	Very high	98.6	Very high	58 Å²	58	25 Å²	25	60%	0.598	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.5	176.1	0	0	0	0	0	114.3	G183	G183-G185 PolarHBondContact O-N 3.03Å
186	S	98.3	Very high	98.6	Very high	25 Å²	25	24.8 Å²	24.8	18%	0.175	15%	0.15	C	C	.	.			trans	-67.8	137.2	175.8	178.9	0	0	0	0	110.2	N180 G183 N188	N180-S186 WeakPolarHBondContact ND2-CB 3.4Å; G183-S186 VanDerWaalsContact O-CB 3.28Å; G183-S186 WeakPolarHBondContact O-CB 3.36Å; G183-S186 PolarHBondContact O-N 2.8Å; S186-N188 VanDerWaalsContact C-N 3.27Å; S186-N188 PolarHBondContact O-N 2.75Å; S186-N188 PolarHBondContact OG-O 3.3Å
187	P	97.9	Very high	98.6	Very high	82 Å²	82	29.2 Å²	29.2	53%	0.532	17%	0.17	S	C	.	.	S	Bend	trans	-73.9	-16.6	-173.1	29.5	-36.1	0	0	0	113.6	P299	P187-P299 WeakPolarHBondContact O-CG 3.34Å
188	N	98.8	Very high	98.6	Very high	44 Å²	44	29.2 Å²	29.2	24%	0.235	17%	0.171	C	C	.	.			trans	-154.6	177.4	-178.8	67.6	76.5	0	0	0	112.8	N180 S186 Y190 H301	N180-N188 PolarHBondContact ND2-O 2.76Å; S186-N188 VanDerWaalsContact C-N 3.27Å; S186-N188 PolarHBondContact O-N 2.75Å; S186-N188 PolarHBondContact OG-O 3.3Å; N188-Y190 HydrophobicContact CB-CD2 3.61Å; N188-Y190 HydrophobicContact CB-CE2 3.72Å; N188-Y190 HydrophobicContact CB-CG 4.18Å; N188-Y190 WeakPolarHBondContact OD1-CB 3.33Å; N188-Y190 VanDerWaalsContact OD1-CD2 3.26Å; N188-Y190 WeakPolarHBondContact OD1-CD2 3.43Å; N188-Y190 PolarHBondContact OD1-N 3.44Å; N188-H301 CarbonylContact C-O 3.53Å; N188-H301 WeakPolarHBondContact CA-O 3.48Å
189	I	98.8	Very high	98.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.185	C	C	.	.			trans	-117.7	14.6	179.1	62	176.4	0	0	0	112.6	D191 H192 L230 T282 H301 F304	I189-D191 VanDerWaalsContact C-N 3.27Å; I189-D191 PolarHBondContact O-N 2.7Å; I189-H192 WeakPolarHBondContact O-CB 3.44Å; I189-H192 PolarHBondContact O-N 2.68Å; I189-H192 VanDerWaalsContact O-N 3.15Å; I189-H192 PolarHBondContact O-ND1 3.11Å; I189-L230 HydrophobicContact CB-CD2 4.41Å; I189-L230 HydrophobicContact CD1-CD2 3.47Å; I189-L230 VanDerWaalsContact CD1-CD2 3.47Å; I189-L230 HydrophobicContact CG1-CD2 3.67Å; I189-T282 HydrophobicContact CD1-CG2 4.07Å; I189-H301 HydrophobicContact CG1-CB 4.32Å; I189-H301 VanDerWaalsContact CG1-O 3.32Å; I189-H301 WeakPolarHBondContact CG1-O 3.34Å; I189-H301 WeakPolarHBondContact CG2-O 3.44Å; I189-H301 PolarHBondContact N-O 2.77Å; I189-F304 HydrophobicContact CB-CD1 4.33Å; I189-F304 HydrophobicContact CD1-CB 3.8Å; I189-F304 HydrophobicContact CD1-CD1 4.22Å; I189-F304 HydrophobicContact CD1-CG 4.48Å; I189-F304 HydrophobicContact CG2-CD1 3.94Å
190	Y	98.9	Very high	98.5	Very high	92 Å²	92	33.7 Å²	33.7	36%	0.361	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.1	-168.5	-64	-42.9	0	0	0	113.6	N188 H192 G231 L234 H301	N188-Y190 HydrophobicContact CB-CD2 3.61Å; N188-Y190 HydrophobicContact CB-CE2 3.72Å; N188-Y190 HydrophobicContact CB-CG 4.18Å; N188-Y190 WeakPolarHBondContact OD1-CB 3.33Å; N188-Y190 VanDerWaalsContact OD1-CD2 3.26Å; N188-Y190 WeakPolarHBondContact OD1-CD2 3.43Å; N188-Y190 PolarHBondContact OD1-N 3.44Å; Y190-H192 VanDerWaalsContact C-N 3.26Å; Y190-H192 PolarHBondContact O-N 2.85Å; Y190-G231 PolarHBondContact O-N 3.49Å; Y190-L234 HydrophobicContact CE1-CD1 4.4Å; Y190-H301 HydrophobicContact CE1-CB 4.12Å; Y190-H301 AromaticContact CE1-ND1 3.27Å; Y190-H301 VanDerWaalsContact CE1-ND1 3.27Å; Y190-H301 WeakPolarHBondContact CE1-ND1 3.38Å; Y190-H301 AromaticContact CZ-ND1 3.46Å; Y190-H301 PolarHBondContact OH-ND1 2.96Å
191	D	98.8	Very high	98.5	Very high	68 Å²	68	35.1 Å²	35.1	36%	0.364	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.7	177.1	58.1	5.8	0	0	0	113.8	I189 H262	I189-D191 VanDerWaalsContact C-N 3.27Å; I189-D191 PolarHBondContact O-N 2.7Å; D191-H262 VanDerWaalsContact CG-CD2 3.49Å; D191-H262 IonicContact OD1-CD2 3.68Å; D191-H262 PolarHBondContact OD1-CD2 3.37Å; D191-H262 IonicContact OD1-NE2 3.81Å; D191-H262 IonicContact OD2-CD2 3.25Å; D191-H262 IonicContact OD2-NE2 2.79Å; D191-H262 PolarHBondContact OD2-NE2 2.65Å
192	H	98.9	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.9	174.2	-69	49.3	0	0	0	110.5	N180 L181 I189 Y190 L230 V260 H261 H262 F304	N180-H192 PolarHBondContact OD1-CE1 2.82Å; L181-H192 WeakPolarHBondContact CB-NE2 3.37Å; L181-H192 PolarHBondContact N-NE2 3.16Å; I189-H192 WeakPolarHBondContact O-CB 3.44Å; I189-H192 PolarHBondContact O-N 2.68Å; I189-H192 VanDerWaalsContact O-N 3.15Å; I189-H192 PolarHBondContact O-ND1 3.11Å; Y190-H192 VanDerWaalsContact C-N 3.26Å; Y190-H192 PolarHBondContact O-N 2.85Å; H192-L230 WeakPolarHBondContact O-CB 3.36Å; H192-L230 PolarHBondContact O-N 3.25Å; H192-V260 HydrophobicContact CB-CG1 3.98Å; H192-H261 CarbonylContact C-O 3.57Å; H192-H261 WeakPolarHBondContact CA-O 3.28Å; H192-H262 AromaticContact CE1-CD2 4Å; H192-H262 AromaticContact ND1-CD2 3.97Å; H192-F304 AromaticContact CD2-CE1 3.51Å; H192-F304 AromaticContact NE2-CE1 3.91Å
193	E	98.9	Very high	98.5	Very high	74 Å²	74	35.2 Å²	35.2	35%	0.346	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.4	169.2	-66.1	178.3	159.3	0	0	109.3	V228 V260 H261	E193-V228 CarbonylContact C-O 3.57Å; E193-V228 VanDerWaalsContact CA-O 3.26Å; E193-V228 WeakPolarHBondContact CA-O 3.32Å; E193-V260 CarbonylContact O-C 3.53Å; E193-V260 VanDerWaalsContact O-CA 3.29Å; E193-V260 WeakPolarHBondContact O-CA 3.27Å; E193-H261 HydrophobicContact CB-CB 4.29Å; E193-H261 PolarHBondContact N-O 3.42Å; E193-H261 PolarHBondContact O-N 2.9Å; E193-H261 IonicContact OE2-CE1 3.64Å; E193-H261 IonicContact OE2-CG 3.5Å; E193-H261 IonicContact OE2-ND1 3.25Å; E193-H261 PolarHBondContact OE2-ND1 2.98Å
194	V	98.9	Very high	98.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.9	-174.4	-179.6	0	0	0	0	110.4	I196 L224 P227 V228 L230 V260 F280	V194-I196 HydrophobicContact CG1-CD1 4.46Å; V194-I196 HydrophobicContact CG1-CG1 4.1Å; V194-L224 HydrophobicContact CG1-CD1 4.44Å; V194-P227 WeakPolarHBondContact O-CA 2.92Å; V194-V228 PolarHBondContact N-O 3.03Å; V194-V228 PolarHBondContact O-N 2.84Å; V194-L230 HydrophobicContact CG2-CB 4.37Å; V194-L230 HydrophobicContact CG2-CD2 4.41Å; V194-V260 HydrophobicContact CG2-CG1 4.24Å; V194-V260 HydrophobicContact CG2-CG2 4.39Å; V194-F280 HydrophobicContact CG1-CE1 4.06Å; V194-F280 HydrophobicContact CG1-CZ 3.96Å; V194-F280 HydrophobicContact CG2-CZ 4.1Å
195	T	98.9	Very high	98.4	Very high	13 Å²	13	38 Å²	38	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.8	168.9	-50.6	0	0	0	0	109.2	L224 R225 P227 A258 R259	T195-L224 CarbonylContact C-O 3.53Å; T195-L224 WeakPolarHBondContact CA-O 3.29Å; T195-R225 WeakPolarHBondContact CG2-O 3.46Å; T195-P227 VanDerWaalsContact OG1-CA 3.3Å; T195-P227 WeakPolarHBondContact OG1-CA 3.31Å; T195-P227 WeakPolarHBondContact OG1-CG 3.44Å; T195-A258 CarbonylContact O-C 3.45Å; T195-A258 WeakPolarHBondContact O-CA 3.1Å; T195-A258 WeakPolarHBondContact O-CB 3.32Å; T195-R259 PolarHBondContact N-O 2.9Å; T195-R259 PolarHBondContact O-N 2.93Å
196	I	98.9	Very high	98.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.5	173.7	-54.7	-172.7	0	0	0	108.8	V194 A198 L224 R225 F246 L248 A258 V278 F280 L306	V194-I196 HydrophobicContact CG1-CD1 4.46Å; V194-I196 HydrophobicContact CG1-CG1 4.1Å; I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 HydrophobicContact CG2-CB 4.14Å; I196-A198 PolarHBondContact O-N 3.21Å; I196-L224 HydrophobicContact CB-CB 4.12Å; I196-L224 HydrophobicContact CD1-CD1 3.85Å; I196-L224 HydrophobicContact CG1-CB 4.28Å; I196-L224 HydrophobicContact CG1-CD1 4.17Å; I196-L224 PolarHBondContact N-O 3.48Å; I196-L224 CarbonylContact O-C 3.49Å; I196-R225 WeakPolarHBondContact O-CA 3.38Å; I196-F246 HydrophobicContact CB-CD1 4.45Å; I196-F246 HydrophobicContact CD1-CD1 4.47Å; I196-F246 HydrophobicContact CD1-CD2 4.03Å; I196-F246 HydrophobicContact CD1-CE2 4.12Å; I196-F246 HydrophobicContact CD1-CG 4.22Å; I196-F246 HydrophobicContact CD1-CZ 4.36Å; I196-F246 HydrophobicContact CG2-CB 3.89Å; I196-F246 HydrophobicContact CG2-CD1 4.06Å; I196-F246 HydrophobicContact CG2-CG 3.99Å; I196-L248 HydrophobicContact CG2-CD2 4.43Å; I196-A258 HydrophobicContact CG1-CB 4.06Å; I196-V278 HydrophobicContact CG2-CG1 4.05Å; I196-F280 HydrophobicContact CD1-CB 3.76Å; I196-F280 HydrophobicContact CD1-CD1 3.72Å; I196-F280 HydrophobicContact CD1-CE1 4.46Å; I196-F280 HydrophobicContact CD1-CG 3.76Å; I196-L306 HydrophobicContact CD1-CD2 4.48Å
197	E	98.4	Very high	98.4	Very high	98 Å²	98	44.2 Å²	44.2	46%	0.458	23%	0.228	S	C	.	.			trans	-85.3	70.3	-178.5	-169.7	172.3	-104.3	0	0	111.4	F256 C257	E197-F256 HydrophobicContact CB-CD1 3.61Å; E197-F256 HydrophobicContact CB-CE1 3.96Å; E197-F256 HydrophobicContact CG-CD1 4.34Å; E197-C257 PolarHBondContact N-O 2.82Å
198	A	98.4	Very high	98.4	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.8	178.4	0	0	0	0	0	110.8	I196 V217 R225 F246 C247 L248	I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 HydrophobicContact CG2-CB 4.14Å; I196-A198 PolarHBondContact O-N 3.21Å; A198-V217 WeakPolarHBondContact O-CG2 3.45Å; A198-R225 WeakPolarHBondContact O-CD 3.27Å; A198-R225 VanDerWaalsContact O-CG 3.26Å; A198-R225 WeakPolarHBondContact O-CG 3.4Å; A198-F246 HydrophobicContact CB-CB 3.76Å; A198-F246 HydrophobicContact CB-CD1 3.99Å; A198-F246 HydrophobicContact CB-CG 4.39Å; A198-C247 WeakPolarHBondContact CB-O 3.37Å; A198-L248 HydrophobicContact CB-CD2 4.5Å
199	D	98.4	Very high	98.4	Very high	57 Å²	57	41.1 Å²	41.1	31%	0.305	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-17.7	174.5	-86.8	-4.7	0	0	0	112.5	P216 V217 R225 K249	D199-P216 WeakPolarHBondContact O-CA 3.11Å; D199-V217 PolarHBondContact O-N 2.98Å; D199-R225 WeakPolarHBondContact OD1-CD 3.42Å; D199-R225 IonicContact OD1-CZ 3.58Å; D199-R225 IonicContact OD1-NE 3.58Å; D199-R225 IonicContact OD1-NH1 3.72Å; D199-R225 PolarHBondContact OD1-NH1 3.15Å; D199-K249 VanDerWaalsContact CG-NZ 3.3Å; D199-K249 IonicContact OD1-NZ 3.68Å; D199-K249 WeakPolarHBondContact OD2-CE 3.17Å; D199-K249 IonicContact OD2-NZ 2.6Å; D199-K249 PolarHBondContact OD2-NZ 3.05Å
200	T	98.6	Very high	98.4	Very high	43 Å²	43	41.2 Å²	41.2	26%	0.264	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.2	177.1	52.6	0	0	0	0	111	A215 C247	T200-A215 CarbonylContact C-O 3.53Å; T200-A215 WeakPolarHBondContact CA-O 3.29Å; T200-A215 VanDerWaalsContact CB-O 3.3Å; T200-A215 WeakPolarHBondContact CB-O 3.47Å; T200-C247 WeakPolarHBondContact O-CB 3.16Å; T200-C247 PolarHBondContact O-N 2.87Å; T200-C247 WeakPolarHBondContact OG1-CB 3.48Å
201	Y	98.8	Very high	98.1	Very high	30 Å²	30	42.1 Å²	42.1	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	168.7	171.8	76.9	-73.2	0	0	0	109.1	P203 G214 A215 V217 F222 N245	Y201-P203 HydrophobicContact CD2-CG 4.5Å; Y201-P203 HydrophobicContact CE2-CB 4.23Å; Y201-P203 HydrophobicContact CE2-CG 3.86Å; Y201-P203 VanDerWaalsContact O-CD 3.28Å; Y201-P203 WeakPolarHBondContact O-CD 3.34Å; Y201-G214 CarbonylContact O-C 3.57Å; Y201-G214 VanDerWaalsContact O-CA 3.3Å; Y201-G214 WeakPolarHBondContact O-CA 3.45Å; Y201-A215 HydrophobicContact CD1-CB 4.27Å; Y201-A215 WeakPolarHBondContact CD1-O 3.34Å; Y201-A215 HydrophobicContact CE1-CB 3.84Å; Y201-A215 PolarHBondContact N-O 2.86Å; Y201-A215 PolarHBondContact O-N 2.8Å; Y201-V217 HydrophobicContact CD1-CG1 3.97Å; Y201-F222 HydrophobicContact CD1-CB 3.71Å; Y201-F222 HydrophobicContact CD1-CD1 4.45Å; Y201-F222 HydrophobicContact CD1-CD2 4.3Å; Y201-F222 AromaticContact CD1-CG 3.91Å; Y201-F222 HydrophobicContact CD1-CG 3.91Å; Y201-F222 HydrophobicContact CD2-CB 4.29Å; Y201-F222 AromaticContact CD2-CD1 3.5Å; Y201-F222 HydrophobicContact CD2-CD1 3.5Å; Y201-F222 VanDerWaalsContact CD2-CD1 3.5Å; Y201-F222 HydrophobicContact CD2-CD2 4.08Å; Y201-F222 AromaticContact CD2-CE1 3.74Å; Y201-F222 HydrophobicContact CD2-CE1 3.74Å; Y201-F222 HydrophobicContact CD2-CE2 4.3Å; Y201-F222 AromaticContact CD2-CG 3.68Å; Y201-F222 HydrophobicContact CD2-CG 3.68Å; Y201-F222 HydrophobicContact CD2-CZ 4.13Å; Y201-F222 HydrophobicContact CE1-CB 3.95Å; Y201-F222 AromaticContact CE1-CD2 3.79Å; Y201-F222 HydrophobicContact CE1-CD2 3.79Å; Y201-F222 AromaticContact CE1-CG 3.88Å; Y201-F222 HydrophobicContact CE1-CG 3.88Å; Y201-F222 AromaticContact CE2-CD1 3.74Å; Y201-F222 HydrophobicContact CE2-CD1 3.74Å; Y201-F222 AromaticContact CE2-CD2 3.53Å; Y201-F222 HydrophobicContact CE2-CD2 3.53Å; Y201-F222 AromaticContact CE2-CE1 3.72Å; Y201-F222 HydrophobicContact CE2-CE1 3.72Å; Y201-F222 AromaticContact CE2-CE2 3.52Å; Y201-F222 HydrophobicContact CE2-CE2 3.52Å; Y201-F222 AromaticContact CE2-CG 3.65Å; Y201-F222 HydrophobicContact CE2-CG 3.65Å; Y201-F222 AromaticContact CE2-CZ 3.61Å; Y201-F222 HydrophobicContact CE2-CZ 3.61Å; Y201-F222 HydrophobicContact CG-CB 3.89Å; Y201-F222 AromaticContact CG-CD1 3.88Å; Y201-F222 HydrophobicContact CG-CD1 3.88Å; Y201-F222 HydrophobicContact CG-CD2 4.43Å; Y201-F222 AromaticContact CG-CG 3.81Å; Y201-F222 HydrophobicContact CG-CG 3.81Å; Y201-F222 AromaticContact CZ-CD2 3.35Å; Y201-F222 AromaticContact CZ-CE2 3.64Å; Y201-F222 AromaticContact CZ-CG 3.74Å; Y201-N245 WeakPolarHBondContact CA-O 3.31Å
202	L	98.6	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.214	C	C	.	.			trans	-99.4	106.5	174.1	-60.1	-175.7	0	0	0	110.2	P210 N245 W311 F320	L202-P210 HydrophobicContact CB-CB 4.23Å; L202-P210 HydrophobicContact CB-CG 4.36Å; L202-P210 HydrophobicContact CD1-CB 4.15Å; L202-P210 HydrophobicContact CD1-CG 3.94Å; L202-N245 HydrophobicContact CB-CB 4.4Å; L202-N245 HydrophobicContact CD1-CB 3.98Å; L202-N245 WeakPolarHBondContact CD1-ND2 3.34Å; L202-N245 HydrophobicContact CG-CB 4.26Å; L202-N245 PolarHBondContact N-O 2.94Å; L202-W311 HydrophobicContact CD1-CB 3.89Å; L202-W311 HydrophobicContact CD1-CD2 4.19Å; L202-W311 HydrophobicContact CD1-CE3 4.11Å; L202-W311 HydrophobicContact CD1-CG 4.11Å; L202-W311 HydrophobicContact CD2-CE3 3.98Å; L202-W311 HydrophobicContact CD2-CZ3 4.21Å; L202-F320 HydrophobicContact CD1-CE2 3.81Å; L202-F320 HydrophobicContact CD1-CZ 3.95Å; L202-F320 HydrophobicContact CD2-CE1 4.29Å; L202-F320 HydrophobicContact CD2-CZ 3.94Å
203	P	98.3	Very high	96.4	Very high	31 Å²	31	47.1 Å²	47.1	20%	0.201	25%	0.246	C	C	.	.			trans	-60.4	147.8	163.1	-16.8	29.5	0	0	0	109.9	Y201 P210 I211 A215	Y201-P203 HydrophobicContact CD2-CG 4.5Å; Y201-P203 HydrophobicContact CE2-CB 4.23Å; Y201-P203 HydrophobicContact CE2-CG 3.86Å; Y201-P203 VanDerWaalsContact O-CD 3.28Å; Y201-P203 WeakPolarHBondContact O-CD 3.34Å; P203-P210 WeakPolarHBondContact O-CA 3.38Å; P203-I211 HydrophobicContact CB-CD1 4.19Å; P203-I211 HydrophobicContact CB-CG1 4.06Å; P203-I211 WeakPolarHBondContact O-CG1 3.28Å; P203-I211 PolarHBondContact O-N 2.94Å; P203-I211 VanDerWaalsContact O-N 3.1Å; P203-A215 HydrophobicContact CG-CB 3.51Å
204	V	98.4	Very high	96	Very high	34 Å²	34	44.7 Å²	44.7	21%	0.206	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-125.4	158.5	-177.1	-61.1	0	0	0	0	111.8	L208 I209	V204-L208 HydrophobicContact CG2-CD2 3.84Å; V204-I209 CarbonylContact C-O 3.48Å; V204-I209 WeakPolarHBondContact CA-O 3.49Å; V204-I209 WeakPolarHBondContact CB-O 3.32Å
205	D	97.6	Very high	95.9	Very high	45 Å²	45	46 Å²	46	24%	0.241	25%	0.251	C	S	.	.			trans	-78.9	-179.5	170.3	64.1	25.2	0	0	0	112.1	T207 L208 I209 I211	D205-T207 PolarHBondContact O-N 2.82Å; D205-T207 VanDerWaalsContact O-N 3.11Å; D205-T207 VanDerWaalsContact OD1-C 3.27Å; D205-T207 VanDerWaalsContact OD1-CA 3.23Å; D205-T207 WeakPolarHBondContact OD1-CA 3.48Å; D205-T207 WeakPolarHBondContact OD1-CB 3.22Å; D205-T207 PolarHBondContact OD1-N 2.83Å; D205-T207 PolarHBondContact OD1-OG1 2.8Å; D205-T207 PolarHBondContact OD2-OG1 3.22Å; D205-L208 WeakPolarHBondContact O-CA 3.36Å; D205-L208 PolarHBondContact O-N 2.83Å; D205-L208 PolarHBondContact OD1-N 2.86Å; D205-I209 PolarHBondContact N-O 3.22Å; D205-I209 PolarHBondContact OD1-N 2.83Å; D205-I211 HydrophobicContact CB-CG2 3.46Å; D205-I211 VanDerWaalsContact CB-CG2 3.46Å
206	E	96.9	Very high	95.9	Very high	174 Å²	174	49.5 Å²	49.5	81%	0.813	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.2	175.6	64	-81.6	-174.9	0	0	114.5
207	T	97.1	Very high	95.9	Very high	39 Å²	39	49.4 Å²	49.4	24%	0.239	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	5.2	176.3	78.7	0	0	0	0	113.2	P103 N104 D205 I209	P103-T207 HydrophobicContact CG-CG2 3.89Å; N104-T207 WeakPolarHBondContact ND2-CB 3.29Å; N104-T207 PolarHBondContact ND2-O 3.01Å; N104-T207 PolarHBondContact ND2-OG1 2.96Å; N104-T207 VanDerWaalsContact ND2-OG1 3.15Å; D205-T207 PolarHBondContact O-N 2.82Å; D205-T207 VanDerWaalsContact O-N 3.11Å; D205-T207 VanDerWaalsContact OD1-C 3.27Å; D205-T207 VanDerWaalsContact OD1-CA 3.23Å; D205-T207 WeakPolarHBondContact OD1-CA 3.48Å; D205-T207 WeakPolarHBondContact OD1-CB 3.22Å; D205-T207 PolarHBondContact OD1-N 2.83Å; D205-T207 PolarHBondContact OD1-OG1 2.8Å; D205-T207 PolarHBondContact OD2-OG1 3.22Å; T207-I209 VanDerWaalsContact C-N 3.32Å
208	L	97.3	Very high	95.9	Very high	51 Å²	51	51.9 Å²	51.9	27%	0.267	29%	0.286	S	S	.	.	S	Bend	trans	66	29.4	-179.3	-51.9	171.3	0	0	0	113.3	R82 V204 D205 F285	R82-L208 WeakPolarHBondContact CD-O 3.19Å; V204-L208 HydrophobicContact CG2-CD2 3.84Å; D205-L208 WeakPolarHBondContact O-CA 3.36Å; D205-L208 PolarHBondContact O-N 2.83Å; D205-L208 PolarHBondContact OD1-N 2.86Å; L208-F285 HydrophobicContact CD1-CZ 4.5Å
209	I	98.6	Very high	95.8	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.051	32%	0.323	C	S	.	.			trans	-94.4	137.3	170.1	-66.5	-66.2	0	0	0	109.7	R82 A84 N104 V204 D205 T207 I211 D313	R82-I209 HydrophobicContact CB-CD1 3.56Å; A84-I209 HydrophobicContact CB-CD1 3.93Å; A84-I209 HydrophobicContact CB-CG1 4.13Å; A84-I209 HydrophobicContact CB-CG2 4.15Å; N104-I209 WeakPolarHBondContact ND2-CG1 3.36Å; V204-I209 CarbonylContact C-O 3.48Å; V204-I209 WeakPolarHBondContact CA-O 3.49Å; V204-I209 WeakPolarHBondContact CB-O 3.32Å; D205-I209 PolarHBondContact N-O 3.22Å; D205-I209 PolarHBondContact OD1-N 2.83Å; T207-I209 VanDerWaalsContact C-N 3.32Å; I209-I211 PolarHBondContact O-N 3.3Å; I209-D313 HydrophobicContact CD1-CB 4.42Å; I209-D313 HydrophobicContact CG2-CB 4.46Å
210	P	98.1	Very high	95.8	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.019	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-57.7	131.4	174.9	-27.8	37.5	0	0	0	113.6	L202 P203 P312 Q317 F320	L202-P210 HydrophobicContact CB-CB 4.23Å; L202-P210 HydrophobicContact CB-CG 4.36Å; L202-P210 HydrophobicContact CD1-CB 4.15Å; L202-P210 HydrophobicContact CD1-CG 3.94Å; P203-P210 WeakPolarHBondContact O-CA 3.38Å; P210-P312 HydrophobicContact CG-CB 4Å; P210-Q317 PolarHBondContact O-NE2 2.82Å; P210-Q317 VanDerWaalsContact O-NE2 3.1Å; P210-F320 HydrophobicContact CB-CE2 3.94Å; P210-F320 HydrophobicContact CB-CZ 3.85Å; P210-F320 HydrophobicContact CG-CE2 4.19Å
211	I	92.7	Very high	95.8	Very high	110 Å²	110	53.1 Å²	53.1	56%	0.564	31%	0.312	S	S	*	.			trans	-98.7	8.9	-173.3	53.4	168.4	0	0	0	115.5	P203 D205 I209	P203-I211 HydrophobicContact CB-CD1 4.19Å; P203-I211 HydrophobicContact CB-CG1 4.06Å; P203-I211 WeakPolarHBondContact O-CG1 3.28Å; P203-I211 PolarHBondContact O-N 2.94Å; P203-I211 VanDerWaalsContact O-N 3.1Å; D205-I211 HydrophobicContact CB-CG2 3.46Å; D205-I211 VanDerWaalsContact CB-CG2 3.46Å; I209-I211 PolarHBondContact O-N 3.3Å
212	G	78.6	Confident	95.8	Very high	28 Å²	28	52.7 Å²	52.7	29%	0.289	31%	0.31	S	S	.	.	S	Bend	trans	168.2	-158.8	179.8	0	0	0	0	0	113.3	F320	G212-F320 WeakPolarHBondContact O-CE1 3.5Å; G212-F320 WeakPolarHBondContact O-CZ 3.5Å
213	E	83.1	Confident	95.8	Very high	146 Å²	146	54.6 Å²	54.6	68%	0.682	32%	0.321	S	S	*	.	S	Bend	trans	-65.7	164	172.2	-61.6	-174.9	171.6	0	0	111.6	A215	E213-A215 PolarHBondContact O-N 2.63Å
214	G	91.2	Very high	95.9	Very high	23 Å²	23	53.2 Å²	53.2	24%	0.237	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-60.8	121.3	177.2	0	0	0	0	0	112.3	Y201	Y201-G214 CarbonylContact O-C 3.57Å; Y201-G214 VanDerWaalsContact O-CA 3.3Å; Y201-G214 WeakPolarHBondContact O-CA 3.45Å
215	A	97.4	Very high	95.9	Very high	26 Å²	26	55.9 Å²	55.9	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.2	176.9	0	0	0	0	0	110.6	T200 Y201 P203 E213	T200-A215 CarbonylContact C-O 3.53Å; T200-A215 WeakPolarHBondContact CA-O 3.29Å; T200-A215 VanDerWaalsContact CB-O 3.3Å; T200-A215 WeakPolarHBondContact CB-O 3.47Å; Y201-A215 HydrophobicContact CD1-CB 4.27Å; Y201-A215 WeakPolarHBondContact CD1-O 3.34Å; Y201-A215 HydrophobicContact CE1-CB 3.84Å; Y201-A215 PolarHBondContact N-O 2.86Å; Y201-A215 PolarHBondContact O-N 2.8Å; P203-A215 HydrophobicContact CG-CB 3.51Å; E213-A215 PolarHBondContact O-N 2.63Å
216	P	98.2	Very high	95.9	Very high	87 Å²	87	61.6 Å²	61.6	57%	0.565	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	138.3	177.7	26.9	-33.9	0	0	0	110.9	D199 Q218	D199-P216 WeakPolarHBondContact O-CA 3.11Å; P216-Q218 VanDerWaalsContact C-N 3.32Å
217	V	98.6	Very high	96	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.328	C	S	.	.			trans	-75.8	-23.5	177.9	-60.1	0	0	0	0	112.5	A198 D199 Y201 G219 T220 F222 D223 R225	A198-V217 WeakPolarHBondContact O-CG2 3.45Å; D199-V217 PolarHBondContact O-N 2.98Å; Y201-V217 HydrophobicContact CD1-CG1 3.97Å; V217-G219 PolarHBondContact O-N 3.09Å; V217-T220 WeakPolarHBondContact O-CB 3.47Å; V217-T220 PolarHBondContact O-N 2.97Å; V217-T220 PolarHBondContact O-OG1 2.94Å; V217-F222 HydrophobicContact CB-CB 4.37Å; V217-F222 WeakPolarHBondContact CB-O 3.46Å; V217-F222 HydrophobicContact CG1-CB 4.11Å; V217-F222 WeakPolarHBondContact CG1-O 2.98Å; V217-D223 HydrophobicContact CB-CB 4.29Å; V217-D223 HydrophobicContact CG2-CB 4.18Å; V217-D223 WeakPolarHBondContact O-CB 3.19Å; V217-R225 HydrophobicContact CG2-CG 4.39Å
218	Q	98.4	Very high	96.1	Very high	150 Å²	150	56.9 Å²	56.9	70%	0.701	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	127.3	-171.5	-176.1	175.3	13	0	0	112.2	P216 T220	P216-Q218 VanDerWaalsContact C-N 3.32Å; Q218-T220 PolarHBondContact O-N 2.91Å
219	G	97.3	Very high	96.2	Very high	77 Å²	77	59.1 Å²	59.1	79%	0.794	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	7	179.9	0	0	0	0	0	114.4	V217	V217-G219 PolarHBondContact O-N 3.09Å
220	T	98.5	Very high	96.2	Very high	41 Å²	41	58.6 Å²	58.6	25%	0.252	33%	0.332	S	S	.	.	S	Bend	trans	-110.9	168.4	177.3	80	0	0	0	0	111.3	V217 Q218 F222 D223	V217-T220 WeakPolarHBondContact O-CB 3.47Å; V217-T220 PolarHBondContact O-N 2.97Å; V217-T220 PolarHBondContact O-OG1 2.94Å; Q218-T220 PolarHBondContact O-N 2.91Å; T220-F222 PolarHBondContact O-N 2.88Å; T220-F222 VanDerWaalsContact O-N 3.12Å; T220-F222 WeakPolarHBondContact OG1-CB 3.49Å; T220-F222 PolarHBondContact OG1-N 3.03Å; T220-D223 PolarHBondContact O-N 3.31Å; T220-D223 VanDerWaalsContact O-N 3.15Å
221	A	98.6	Very high	96.2	Very high	10 Å²	10	59.1 Å²	59.1	8%	0.083	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.1	170.3	0	0	0	0	0	113.6	H233 F237 L239	A221-H233 PolarHBondContact O-NE2 3.25Å; A221-F237 HydrophobicContact CB-CB 3.51Å; A221-F237 HydrophobicContact CB-CD1 3.35Å; A221-F237 HydrophobicContact CB-CD2 4.05Å; A221-F237 HydrophobicContact CB-CE1 4.01Å; A221-F237 HydrophobicContact CB-CG 3.36Å; A221-L239 HydrophobicContact CB-CD1 3.51Å; A221-L239 HydrophobicContact CB-CD2 4.49Å; A221-L239 HydrophobicContact CB-CG 4.12Å
222	F	98.8	Very high	96.5	Very high	20 Å²	20	59.5 Å²	59.5	9%	0.088	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	0.6	179.2	-60	-91.9	0	0	0	112.2	Y201 V217 T220 L224 F242 H244 F246	Y201-F222 HydrophobicContact CD1-CB 3.71Å; Y201-F222 HydrophobicContact CD1-CD1 4.45Å; Y201-F222 HydrophobicContact CD1-CD2 4.3Å; Y201-F222 AromaticContact CD1-CG 3.91Å; Y201-F222 HydrophobicContact CD1-CG 3.91Å; Y201-F222 HydrophobicContact CD2-CB 4.29Å; Y201-F222 AromaticContact CD2-CD1 3.5Å; Y201-F222 HydrophobicContact CD2-CD1 3.5Å; Y201-F222 VanDerWaalsContact CD2-CD1 3.5Å; Y201-F222 HydrophobicContact CD2-CD2 4.08Å; Y201-F222 AromaticContact CD2-CE1 3.74Å; Y201-F222 HydrophobicContact CD2-CE1 3.74Å; Y201-F222 HydrophobicContact CD2-CE2 4.3Å; Y201-F222 AromaticContact CD2-CG 3.68Å; Y201-F222 HydrophobicContact CD2-CG 3.68Å; Y201-F222 HydrophobicContact CD2-CZ 4.13Å; Y201-F222 HydrophobicContact CE1-CB 3.95Å; Y201-F222 AromaticContact CE1-CD2 3.79Å; Y201-F222 HydrophobicContact CE1-CD2 3.79Å; Y201-F222 AromaticContact CE1-CG 3.88Å; Y201-F222 HydrophobicContact CE1-CG 3.88Å; Y201-F222 AromaticContact CE2-CD1 3.74Å; Y201-F222 HydrophobicContact CE2-CD1 3.74Å; Y201-F222 AromaticContact CE2-CD2 3.53Å; Y201-F222 HydrophobicContact CE2-CD2 3.53Å; Y201-F222 AromaticContact CE2-CE1 3.72Å; Y201-F222 HydrophobicContact CE2-CE1 3.72Å; Y201-F222 AromaticContact CE2-CE2 3.52Å; Y201-F222 HydrophobicContact CE2-CE2 3.52Å; Y201-F222 AromaticContact CE2-CG 3.65Å; Y201-F222 HydrophobicContact CE2-CG 3.65Å; Y201-F222 AromaticContact CE2-CZ 3.61Å; Y201-F222 HydrophobicContact CE2-CZ 3.61Å; Y201-F222 HydrophobicContact CG-CB 3.89Å; Y201-F222 AromaticContact CG-CD1 3.88Å; Y201-F222 HydrophobicContact CG-CD1 3.88Å; Y201-F222 HydrophobicContact CG-CD2 4.43Å; Y201-F222 AromaticContact CG-CG 3.81Å; Y201-F222 HydrophobicContact CG-CG 3.81Å; Y201-F222 AromaticContact CZ-CD2 3.35Å; Y201-F222 AromaticContact CZ-CE2 3.64Å; Y201-F222 AromaticContact CZ-CG 3.74Å; V217-F222 HydrophobicContact CB-CB 4.37Å; V217-F222 WeakPolarHBondContact CB-O 3.46Å; V217-F222 HydrophobicContact CG1-CB 4.11Å; V217-F222 WeakPolarHBondContact CG1-O 2.98Å; T220-F222 PolarHBondContact O-N 2.88Å; T220-F222 VanDerWaalsContact O-N 3.12Å; T220-F222 WeakPolarHBondContact OG1-CB 3.49Å; T220-F222 PolarHBondContact OG1-N 3.03Å; F222-L224 VanDerWaalsContact C-N 3.28Å; F222-L224 PolarHBondContact O-N 2.76Å; F222-F242 AromaticContact CD1-CD1 3.98Å; F222-F242 HydrophobicContact CD1-CD1 3.98Å; F222-F242 AromaticContact CD1-CE1 3.84Å; F222-F242 HydrophobicContact CD1-CE1 3.84Å; F222-F242 AromaticContact CE1-CD1 3.77Å; F222-F242 HydrophobicContact CE1-CD1 3.77Å; F222-F242 AromaticContact CE1-CE1 3.92Å; F222-F242 HydrophobicContact CE1-CE1 3.92Å; F222-F242 HydrophobicContact CG-CE1 4.46Å; F222-H244 HydrophobicContact CE1-CB 4.04Å; F222-H244 AromaticContact CE1-CD2 3.75Å; F222-H244 AromaticContact CE1-CE1 3.65Å; F222-H244 AromaticContact CE1-CG 3.5Å; F222-H244 AromaticContact CE1-ND1 3.43Å; F222-H244 WeakPolarHBondContact CE1-ND1 3.39Å; F222-H244 AromaticContact CE1-NE2 3.83Å; F222-H244 AromaticContact CZ-CE1 3.69Å; F222-H244 AromaticContact CZ-ND1 3.97Å; F222-H244 AromaticContact CZ-NE2 3.69Å; F222-F246 HydrophobicContact CB-CE1 4.21Å; F222-F246 HydrophobicContact CB-CZ 4.42Å; F222-F246 HydrophobicContact CD1-CE1 4.46Å; F222-F246 AromaticContact CD1-CZ 3.94Å; F222-F246 HydrophobicContact CD1-CZ 3.94Å; F222-F246 WeakPolarHBondContact O-CE1 3.47Å
223	D	98.8	Very high	97.4	Very high	42 Å²	42	59 Å²	59	23%	0.225	33%	0.325	C	S	.	.			trans	-75.8	81.8	173.3	-159.3	-17.7	0	0	0	111.1	V217 T220 R225	V217-D223 HydrophobicContact CB-CB 4.29Å; V217-D223 HydrophobicContact CG2-CB 4.18Å; V217-D223 WeakPolarHBondContact O-CB 3.19Å; T220-D223 PolarHBondContact O-N 3.31Å; T220-D223 VanDerWaalsContact O-N 3.15Å; D223-R225 WeakPolarHBondContact OD1-CB 3.44Å; D223-R225 IonicContact OD1-CZ 3.61Å; D223-R225 PolarHBondContact OD1-N 2.81Å; D223-R225 IonicContact OD1-NE 3.51Å; D223-R225 PolarHBondContact OD1-NE 2.97Å; D223-R225 IonicContact OD1-NH2 3.5Å; D223-R225 PolarHBondContact OD1-NH2 3.47Å; D223-R225 IonicContact OD2-CZ 2.8Å; D223-R225 IonicContact OD2-NE 2.82Å; D223-R225 IonicContact OD2-NH2 2.73Å; D223-R225 PolarHBondContact OD2-NH2 3.1Å
224	L	98.8	Very high	98.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	30%	0.295	C	S	.	.			trans	-97	15.8	177.3	-55.3	-176.5	0	0	0	112.1	V194 T195 I196 F222 K226 V228 F242 F246 F280	V194-L224 HydrophobicContact CG1-CD1 4.44Å; T195-L224 CarbonylContact C-O 3.53Å; T195-L224 WeakPolarHBondContact CA-O 3.29Å; I196-L224 HydrophobicContact CB-CB 4.12Å; I196-L224 HydrophobicContact CD1-CD1 3.85Å; I196-L224 HydrophobicContact CG1-CB 4.28Å; I196-L224 HydrophobicContact CG1-CD1 4.17Å; I196-L224 PolarHBondContact N-O 3.48Å; I196-L224 CarbonylContact O-C 3.49Å; F222-L224 VanDerWaalsContact C-N 3.28Å; F222-L224 PolarHBondContact O-N 2.76Å; L224-K226 CarbonylContact C-O 3.6Å; L224-K226 PolarHBondContact O-N 3.04Å; L224-V228 HydrophobicContact CD2-CG2 3.62Å; L224-F242 HydrophobicContact CD1-CE2 4.49Å; L224-F242 HydrophobicContact CD1-CZ 4.35Å; L224-F242 HydrophobicContact CD2-CZ 4.3Å; L224-F246 HydrophobicContact CD1-CE1 3.89Å; L224-F246 HydrophobicContact CD1-CE2 4.35Å; L224-F246 HydrophobicContact CD1-CZ 3.54Å; L224-F246 HydrophobicContact CG-CE1 4.12Å; L224-F246 HydrophobicContact CG-CZ 4.18Å; L224-F280 HydrophobicContact CD1-CD1 3.93Å; L224-F280 HydrophobicContact CD1-CE1 3.96Å
225	R	98.8	Very high	98.5	Very high	91 Å²	91	58.2 Å²	58.2	34%	0.343	32%	0.315	S	S	.	.	S	Bend	trans	-69.6	-18.9	-177.3	-62.6	175.7	-63.5	178.5	-0.5	113.1	T195 I196 A198 D199 V217 D223	T195-R225 WeakPolarHBondContact CG2-O 3.46Å; I196-R225 WeakPolarHBondContact O-CA 3.38Å; A198-R225 WeakPolarHBondContact O-CD 3.27Å; A198-R225 VanDerWaalsContact O-CG 3.26Å; A198-R225 WeakPolarHBondContact O-CG 3.4Å; D199-R225 WeakPolarHBondContact OD1-CD 3.42Å; D199-R225 IonicContact OD1-CZ 3.58Å; D199-R225 IonicContact OD1-NE 3.58Å; D199-R225 IonicContact OD1-NH1 3.72Å; D199-R225 PolarHBondContact OD1-NH1 3.15Å; V217-R225 HydrophobicContact CG2-CG 4.39Å; D223-R225 WeakPolarHBondContact OD1-CB 3.44Å; D223-R225 IonicContact OD1-CZ 3.61Å; D223-R225 PolarHBondContact OD1-N 2.81Å; D223-R225 IonicContact OD1-NE 3.51Å; D223-R225 PolarHBondContact OD1-NE 2.97Å; D223-R225 IonicContact OD1-NH2 3.5Å; D223-R225 PolarHBondContact OD1-NH2 3.47Å; D223-R225 IonicContact OD2-CZ 2.8Å; D223-R225 IonicContact OD2-NE 2.82Å; D223-R225 IonicContact OD2-NH2 2.73Å; D223-R225 PolarHBondContact OD2-NH2 3.1Å
226	K	98.7	Very high	98.6	Very high	164 Å²	164	61.4 Å²	61.4	71%	0.713	33%	0.329	S	S	*	.	S	Bend	trans	-110.1	151.4	169.4	-66.4	179.9	-178	176.2	0	109	L224 V228	L224-K226 CarbonylContact C-O 3.6Å; L224-K226 PolarHBondContact O-N 3.04Å; K226-V228 PolarHBondContact O-N 2.92Å
227	P	98.8	Very high	98.6	Very high	87 Å²	87	61.6 Å²	61.6	57%	0.565	32%	0.321	S	S	*	.			trans	-57.5	129.5	175.8	-20.2	30.2	0	0	0	111.3	V194 T195	V194-P227 WeakPolarHBondContact O-CA 2.92Å; T195-P227 VanDerWaalsContact OG1-CA 3.3Å; T195-P227 WeakPolarHBondContact OG1-CA 3.31Å; T195-P227 WeakPolarHBondContact OG1-CG 3.44Å
228	V	98.8	Very high	98.6	Very high	28 Å²	28	69.8 Å²	69.8	17%	0.17	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.1	172.1	-59.3	0	0	0	0	109.9	E193 V194 L224 K226 L230 H233	E193-V228 CarbonylContact C-O 3.57Å; E193-V228 VanDerWaalsContact CA-O 3.26Å; E193-V228 WeakPolarHBondContact CA-O 3.32Å; V194-V228 PolarHBondContact N-O 3.03Å; V194-V228 PolarHBondContact O-N 2.84Å; L224-V228 HydrophobicContact CD2-CG2 3.62Å; K226-V228 PolarHBondContact O-N 2.92Å; V228-L230 PolarHBondContact O-N 2.89Å; V228-H233 HydrophobicContact CB-CB 4.09Å; V228-H233 HydrophobicContact CG2-CB 3.96Å
229	E	98.8	Very high	98.6	Very high	97 Å²	97	65 Å²	65	45%	0.453	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	120.2	168.4	-174	-164.8	109	0	0	108.6	G231 K232 H233	E229-G231 PolarHBondContact O-N 3.02Å; E229-K232 HydrophobicContact CB-CB 4.33Å; E229-K232 PolarHBondContact O-N 2.86Å; E229-H233 VanDerWaalsContact O-CB 3.31Å; E229-H233 WeakPolarHBondContact O-CB 3.27Å; E229-H233 PolarHBondContact O-N 2.69Å
230	L	98.8	Very high	98.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-43.3	-166.7	-175.9	58.8	0	0	0	112.6	I189 H192 V194 V228 H233 L234 F242 F280 T282	I189-L230 HydrophobicContact CB-CD2 4.41Å; I189-L230 HydrophobicContact CD1-CD2 3.47Å; I189-L230 VanDerWaalsContact CD1-CD2 3.47Å; I189-L230 HydrophobicContact CG1-CD2 3.67Å; H192-L230 WeakPolarHBondContact O-CB 3.36Å; H192-L230 PolarHBondContact O-N 3.25Å; V194-L230 HydrophobicContact CG2-CB 4.37Å; V194-L230 HydrophobicContact CG2-CD2 4.41Å; V228-L230 PolarHBondContact O-N 2.89Å; L230-H233 PolarHBondContact O-N 3.26Å; L230-L234 HydrophobicContact CD1-CD1 4.18Å; L230-L234 HydrophobicContact CD1-CG 4.1Å; L230-L234 HydrophobicContact CG-CD1 4.13Å; L230-L234 HydrophobicContact CG-CG 4.45Å; L230-L234 WeakPolarHBondContact O-CB 3.34Å; L230-L234 VanDerWaalsContact O-CG 3.22Å; L230-L234 WeakPolarHBondContact O-CG 3.31Å; L230-L234 PolarHBondContact O-N 3.32Å; L230-F242 HydrophobicContact CD1-CD2 4.21Å; L230-F242 HydrophobicContact CD1-CE2 3.95Å; L230-F280 HydrophobicContact CD1-CE1 4.38Å; L230-F280 HydrophobicContact CD1-CZ 4.3Å; L230-F280 HydrophobicContact CD2-CZ 4.37Å; L230-T282 HydrophobicContact CD1-CG2 4.41Å; L230-T282 HydrophobicContact CD2-CG2 4.07Å
231	G	98.8	Very high	98.6	Very high	14 Å²	14	64.7 Å²	64.7	14%	0.144	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-53.6	178.9	0	0	0	0	0	112.3	Y190 E229 H233 L234 Q235	Y190-G231 PolarHBondContact O-N 3.49Å; E229-G231 PolarHBondContact O-N 3.02Å; G231-H233 VanDerWaalsContact C-N 3.34Å; G231-H233 PolarHBondContact O-N 3.23Å; G231-L234 PolarHBondContact O-N 2.97Å; G231-Q235 WeakPolarHBondContact O-CB 3.37Å; G231-Q235 PolarHBondContact O-N 2.9Å
232	K	98.7	Very high	98.6	Very high	117 Å²	117	64.2 Å²	64.2	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-44.9	176.5	-173.4	-172.8	174.4	-159.8	0	112	E229 L234 Q235 D236	E229-K232 HydrophobicContact CB-CB 4.33Å; E229-K232 PolarHBondContact O-N 2.86Å; K232-L234 PolarHBondContact O-N 2.91Å; K232-Q235 WeakPolarHBondContact O-CB 3.43Å; K232-Q235 PolarHBondContact O-N 3.08Å; K232-D236 WeakPolarHBondContact CE-OD2 3.28Å; K232-D236 WeakPolarHBondContact O-CB 3.4Å; K232-D236 VanDerWaalsContact O-CG 3.3Å; K232-D236 PolarHBondContact O-N 3.42Å
233	H	98.8	Very high	98.6	Very high	17 Å²	17	64.1 Å²	64.1	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-64.1	-43.4	-178.5	-166.8	82.5	0	0	0	112.2	A221 V228 E229 L230 G231 Q235 D236 F237	A221-H233 PolarHBondContact O-NE2 3.25Å; V228-H233 HydrophobicContact CB-CB 4.09Å; V228-H233 HydrophobicContact CG2-CB 3.96Å; E229-H233 VanDerWaalsContact O-CB 3.31Å; E229-H233 WeakPolarHBondContact O-CB 3.27Å; E229-H233 PolarHBondContact O-N 2.69Å; L230-H233 PolarHBondContact O-N 3.26Å; G231-H233 VanDerWaalsContact C-N 3.34Å; G231-H233 PolarHBondContact O-N 3.23Å; H233-Q235 VanDerWaalsContact C-N 3.3Å; H233-Q235 PolarHBondContact O-N 2.88Å; H233-D236 PolarHBondContact O-N 3.05Å; H233-F237 AromaticContact CE1-CD2 3.67Å; H233-F237 AromaticContact CE1-CE2 3.32Å; H233-F237 WeakPolarHBondContact CE1-CE2 3.49Å; H233-F237 AromaticContact ND1-CD2 3.88Å; H233-F237 AromaticContact ND1-CE2 3.67Å; H233-F237 AromaticContact NE2-CD2 3.82Å; H233-F237 AromaticContact NE2-CE2 3.88Å; H233-F237 WeakPolarHBondContact O-CD2 3.42Å; H233-F237 PolarHBondContact O-N 3.39Å; H233-F237 VanDerWaalsContact O-N 3.17Å
234	L	98.8	Very high	98.6	Very high	10 Å²	10	63.6 Å²	63.6	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-39.8	174	-68.9	176.2	0	0	0	111.6	Y190 L230 G231 K232 H238 L239 F242	Y190-L234 HydrophobicContact CE1-CD1 4.4Å; L230-L234 HydrophobicContact CD1-CD1 4.18Å; L230-L234 HydrophobicContact CD1-CG 4.1Å; L230-L234 HydrophobicContact CG-CD1 4.13Å; L230-L234 HydrophobicContact CG-CG 4.45Å; L230-L234 WeakPolarHBondContact O-CB 3.34Å; L230-L234 VanDerWaalsContact O-CG 3.22Å; L230-L234 WeakPolarHBondContact O-CG 3.31Å; L230-L234 PolarHBondContact O-N 3.32Å; G231-L234 PolarHBondContact O-N 2.97Å; K232-L234 PolarHBondContact O-N 2.91Å; L234-H238 CarbonylContact O-C 3.48Å; L234-H238 WeakPolarHBondContact O-CA 3.46Å; L234-H238 PolarHBondContact O-N 2.87Å; L234-H238 VanDerWaalsContact O-N 3.08Å; L234-L239 HydrophobicContact CD2-CB 3.63Å; L234-L239 HydrophobicContact CD2-CD1 4.16Å; L234-L239 PolarHBondContact O-N 2.89Å; L234-F242 HydrophobicContact CD2-CD2 3.99Å; L234-F242 HydrophobicContact CD2-CE2 3.66Å; L234-F242 HydrophobicContact CD2-CZ 4.34Å
235	Q	98.6	Very high	98.6	Very high	143 Å²	143	63.7 Å²	63.7	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-65.4	-50.5	177.2	-178.2	179	4.6	0	0	112.3	G231 K232 H233 F237 H238	G231-Q235 WeakPolarHBondContact O-CB 3.37Å; G231-Q235 PolarHBondContact O-N 2.9Å; K232-Q235 WeakPolarHBondContact O-CB 3.43Å; K232-Q235 PolarHBondContact O-N 3.08Å; H233-Q235 VanDerWaalsContact C-N 3.3Å; H233-Q235 PolarHBondContact O-N 2.88Å; Q235-F237 VanDerWaalsContact C-N 3.26Å; Q235-F237 PolarHBondContact O-N 3.01Å; Q235-H238 PolarHBondContact O-N 2.8Å; Q235-H238 VanDerWaalsContact O-N 3.1Å; Q235-H238 PolarHBondContact O-ND1 3.07Å
236	D	98.6	Very high	98.6	Very high	93 Å²	93	59.4 Å²	59.4	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-33.7	-175.7	-73.9	-12.3	0	0	0	111.9	K232 H233	K232-D236 WeakPolarHBondContact CE-OD2 3.28Å; K232-D236 WeakPolarHBondContact O-CB 3.4Å; K232-D236 VanDerWaalsContact O-CG 3.3Å; K232-D236 PolarHBondContact O-N 3.42Å; H233-D236 PolarHBondContact O-N 3.05Å
237	F	98.4	Very high	98.6	Very high	91 Å²	91	51.8 Å²	51.8	40%	0.399	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5.4	177.5	-73.8	-85	0	0	0	114.2	A221 H233 Q235 L239	A221-F237 HydrophobicContact CB-CB 3.51Å; A221-F237 HydrophobicContact CB-CD1 3.35Å; A221-F237 HydrophobicContact CB-CD2 4.05Å; A221-F237 HydrophobicContact CB-CE1 4.01Å; A221-F237 HydrophobicContact CB-CG 3.36Å; H233-F237 AromaticContact CE1-CD2 3.67Å; H233-F237 AromaticContact CE1-CE2 3.32Å; H233-F237 WeakPolarHBondContact CE1-CE2 3.49Å; H233-F237 AromaticContact ND1-CD2 3.88Å; H233-F237 AromaticContact ND1-CE2 3.67Å; H233-F237 AromaticContact NE2-CD2 3.82Å; H233-F237 AromaticContact NE2-CE2 3.88Å; H233-F237 WeakPolarHBondContact O-CD2 3.42Å; H233-F237 PolarHBondContact O-N 3.39Å; H233-F237 VanDerWaalsContact O-N 3.17Å; Q235-F237 VanDerWaalsContact C-N 3.26Å; Q235-F237 PolarHBondContact O-N 3.01Å; F237-L239 HydrophobicContact CB-CD1 4.35Å; F237-L239 HydrophobicContact CB-CG 4.01Å; F237-L239 PolarHBondContact O-N 3.02Å
238	H	98.3	Very high	98.6	Very high	173 Å²	173	48.2 Å²	48.2	80%	0.801	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.1	-178.1	-54.1	-55.1	0	0	0	113.6	L234 Q235	L234-H238 CarbonylContact O-C 3.48Å; L234-H238 WeakPolarHBondContact O-CA 3.46Å; L234-H238 PolarHBondContact O-N 2.87Å; L234-H238 VanDerWaalsContact O-N 3.08Å; Q235-H238 PolarHBondContact O-N 2.8Å; Q235-H238 VanDerWaalsContact O-N 3.1Å; Q235-H238 PolarHBondContact O-ND1 3.07Å
239	L	97.9	Very high	97.8	Very high	49 Å²	49	53.7 Å²	53.7	26%	0.257	26%	0.261	S	S	.	.			trans	-89.3	140.8	178.5	-69.2	-176.9	0	0	0	111.3	A221 L234 F237 G241 F242	A221-L239 HydrophobicContact CB-CD1 3.51Å; A221-L239 HydrophobicContact CB-CD2 4.49Å; A221-L239 HydrophobicContact CB-CG 4.12Å; L234-L239 HydrophobicContact CD2-CB 3.63Å; L234-L239 HydrophobicContact CD2-CD1 4.16Å; L234-L239 PolarHBondContact O-N 2.89Å; F237-L239 HydrophobicContact CB-CD1 4.35Å; F237-L239 HydrophobicContact CB-CG 4.01Å; F237-L239 PolarHBondContact O-N 3.02Å; L239-G241 PolarHBondContact O-N 2.82Å; L239-F242 HydrophobicContact CD1-CD1 4.43Å; L239-F242 HydrophobicContact CD1-CE1 3.66Å; L239-F242 HydrophobicContact CD1-CE2 4.4Å; L239-F242 HydrophobicContact CD1-CZ 3.65Å
240	N	97.6	Very high	96.5	Very high	101 Å²	101	50.4 Å²	50.4	54%	0.54	25%	0.253	S	S	.	.	S	Bend	trans	-73.5	-19.2	170.5	-175.8	71.9	0	0	0	112.8	K300 H301	N240-K300 PolarHBondContact OD1-NZ 3.29Å; N240-H301 PolarHBondContact O-CE1 2.94Å; N240-H301 PolarHBondContact O-NE2 2.63Å
241	G	98.6	Very high	95.6	Very high	10 Å²	10	53.9 Å²	53.9	10%	0.103	28%	0.277	C	S	.	.			trans	146	176.5	-169.8	0	0	0	0	0	110.3	L239 T282	L239-G241 PolarHBondContact O-N 2.82Å; G241-T282 VanDerWaalsContact CA-OG1 3.24Å; G241-T282 WeakPolarHBondContact CA-OG1 3.42Å
242	F	98.9	Very high	95.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.307	C	S	.	.			trans	-104.2	143.6	172	-62.3	-81.6	0	0	0	110.7	F222 L224 L230 L234 L239 F246 F280 Y281 T282 N284	F222-F242 AromaticContact CD1-CD1 3.98Å; F222-F242 HydrophobicContact CD1-CD1 3.98Å; F222-F242 AromaticContact CD1-CE1 3.84Å; F222-F242 HydrophobicContact CD1-CE1 3.84Å; F222-F242 AromaticContact CE1-CD1 3.77Å; F222-F242 HydrophobicContact CE1-CD1 3.77Å; F222-F242 AromaticContact CE1-CE1 3.92Å; F222-F242 HydrophobicContact CE1-CE1 3.92Å; F222-F242 HydrophobicContact CG-CE1 4.46Å; L224-F242 HydrophobicContact CD1-CE2 4.49Å; L224-F242 HydrophobicContact CD1-CZ 4.35Å; L224-F242 HydrophobicContact CD2-CZ 4.3Å; L230-F242 HydrophobicContact CD1-CD2 4.21Å; L230-F242 HydrophobicContact CD1-CE2 3.95Å; L234-F242 HydrophobicContact CD2-CD2 3.99Å; L234-F242 HydrophobicContact CD2-CE2 3.66Å; L234-F242 HydrophobicContact CD2-CZ 4.34Å; L239-F242 HydrophobicContact CD1-CD1 4.43Å; L239-F242 HydrophobicContact CD1-CE1 3.66Å; L239-F242 HydrophobicContact CD1-CE2 4.4Å; L239-F242 HydrophobicContact CD1-CZ 3.65Å; F242-F246 HydrophobicContact CD1-CZ 4.39Å; F242-F280 CarbonylContact C-O 3.45Å; F242-F280 HydrophobicContact CB-CD1 3.91Å; F242-F280 HydrophobicContact CB-CE1 4.3Å; F242-F280 WeakPolarHBondContact CB-O 3.45Å; F242-F280 AromaticContact CD2-CD1 3.91Å; F242-F280 HydrophobicContact CD2-CD1 3.91Å; F242-F280 AromaticContact CD2-CE1 3.56Å; F242-F280 HydrophobicContact CD2-CE1 3.56Å; F242-F280 HydrophobicContact CE2-CE1 4.15Å; F242-F280 AromaticContact CG-CD1 3.94Å; F242-F280 HydrophobicContact CG-CD1 3.94Å; F242-F280 HydrophobicContact CG-CE1 4.09Å; F242-Y281 WeakPolarHBondContact O-CA 3.38Å; F242-T282 HydrophobicContact CB-CG2 4.22Å; F242-T282 HydrophobicContact CD2-CG2 4.08Å; F242-T282 PolarHBondContact N-OG1 3.13Å; F242-T282 PolarHBondContact O-N 2.7Å; F242-T282 PolarHBondContact O-OG1 3.36Å; F242-N284 PolarHBondContact O-ND2 2.81Å
243	D	98.7	Very high	95	Very high	18 Å²	18	62.7 Å²	62.7	10%	0.096	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	60.3	163.1	-171.3	9	0	0	0	107.8	R82 Q279 Y281	R82-D243 IonicContact NH2-OD2 3.09Å; D243-Q279 PolarHBondContact O-NE2 3.04Å; D243-Q279 VanDerWaalsContact O-NE2 3.12Å; D243-Q279 PolarHBondContact OD1-NE2 2.75Å; D243-Y281 HydrophobicContact CB-CD2 3.91Å
244	H	98.9	Very high	94.9	Very high	32 Å²	32	66.2 Å²	66.2	15%	0.148	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.8	-170	-58.6	83.3	0	0	0	112.1	F222 F246 Q279 F280	F222-H244 HydrophobicContact CE1-CB 4.04Å; F222-H244 AromaticContact CE1-CD2 3.75Å; F222-H244 AromaticContact CE1-CE1 3.65Å; F222-H244 AromaticContact CE1-CG 3.5Å; F222-H244 AromaticContact CE1-ND1 3.43Å; F222-H244 WeakPolarHBondContact CE1-ND1 3.39Å; F222-H244 AromaticContact CE1-NE2 3.83Å; F222-H244 AromaticContact CZ-CE1 3.69Å; F222-H244 AromaticContact CZ-ND1 3.97Å; F222-H244 AromaticContact CZ-NE2 3.69Å; H244-F246 HydrophobicContact CB-CE2 4.48Å; H244-Q279 WeakPolarHBondContact O-CA 3.36Å; H244-F280 PolarHBondContact N-O 2.95Å; H244-F280 PolarHBondContact O-N 3.36Å
245	N	98.9	Very high	94.9	Very high	3 Å²	3	67 Å²	67	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.3	169.7	178.2	88.5	0	0	0	109.9	Y201 L202 V278 Q309 P312	Y201-N245 WeakPolarHBondContact CA-O 3.31Å; L202-N245 HydrophobicContact CB-CB 4.4Å; L202-N245 HydrophobicContact CD1-CB 3.98Å; L202-N245 WeakPolarHBondContact CD1-ND2 3.34Å; L202-N245 HydrophobicContact CG-CB 4.26Å; L202-N245 PolarHBondContact N-O 2.94Å; N245-V278 WeakPolarHBondContact CA-O 3.49Å; N245-Q309 PolarHBondContact OD1-NE2 2.79Å; N245-P312 HydrophobicContact CB-CG 4.08Å
246	F	98.9	Very high	94.9	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.6	168.6	-73.2	-101.6	0	0	0	109	I196 A198 F222 L224 F242 H244 L248 G277 V278 F280	I196-F246 HydrophobicContact CB-CD1 4.45Å; I196-F246 HydrophobicContact CD1-CD1 4.47Å; I196-F246 HydrophobicContact CD1-CD2 4.03Å; I196-F246 HydrophobicContact CD1-CE2 4.12Å; I196-F246 HydrophobicContact CD1-CG 4.22Å; I196-F246 HydrophobicContact CD1-CZ 4.36Å; I196-F246 HydrophobicContact CG2-CB 3.89Å; I196-F246 HydrophobicContact CG2-CD1 4.06Å; I196-F246 HydrophobicContact CG2-CG 3.99Å; A198-F246 HydrophobicContact CB-CB 3.76Å; A198-F246 HydrophobicContact CB-CD1 3.99Å; A198-F246 HydrophobicContact CB-CG 4.39Å; F222-F246 HydrophobicContact CB-CE1 4.21Å; F222-F246 HydrophobicContact CB-CZ 4.42Å; F222-F246 HydrophobicContact CD1-CE1 4.46Å; F222-F246 AromaticContact CD1-CZ 3.94Å; F222-F246 HydrophobicContact CD1-CZ 3.94Å; F222-F246 WeakPolarHBondContact O-CE1 3.47Å; L224-F246 HydrophobicContact CD1-CE1 3.89Å; L224-F246 HydrophobicContact CD1-CE2 4.35Å; L224-F246 HydrophobicContact CD1-CZ 3.54Å; L224-F246 HydrophobicContact CG-CE1 4.12Å; L224-F246 HydrophobicContact CG-CZ 4.18Å; F242-F246 HydrophobicContact CD1-CZ 4.39Å; H244-F246 HydrophobicContact CB-CE2 4.48Å; F246-L248 PolarHBondContact O-N 3.29Å; F246-G277 VanDerWaalsContact O-CA 3.22Å; F246-G277 WeakPolarHBondContact O-CA 3.24Å; F246-V278 HydrophobicContact CB-CG1 3.91Å; F246-V278 PolarHBondContact N-O 2.92Å; F246-V278 PolarHBondContact O-N 2.89Å; F246-V278 VanDerWaalsContact O-N 3.07Å; F246-F280 HydrophobicContact CD2-CB 3.92Å; F246-F280 HydrophobicContact CE2-CB 3.81Å; F246-F280 HydrophobicContact CE2-CD1 4.14Å
247	C	98.5	Very high	94.9	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.02	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	106.1	-177.5	-60.3	0	0	0	0	109.1	A198 T200 W311	A198-C247 WeakPolarHBondContact CB-O 3.37Å; T200-C247 WeakPolarHBondContact O-CB 3.16Å; T200-C247 PolarHBondContact O-N 2.87Å; T200-C247 WeakPolarHBondContact OG1-CB 3.48Å; C247-W311 HydrophobicContact CB-CH2 4.07Å; C247-W311 HydrophobicContact CB-CZ2 3.53Å; C247-W311 WeakPolarHBondContact SG-CZ2 3.36Å
248	L	98.3	Very high	94.9	Very high	13 Å²	13	53 Å²	53	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.3	-179.1	-59.9	178.8	0	0	0	110.2	I196 A198 F246 G250 C257 T273 P276 V278	I196-L248 HydrophobicContact CG2-CD2 4.43Å; A198-L248 HydrophobicContact CB-CD2 4.5Å; F246-L248 PolarHBondContact O-N 3.29Å; L248-G250 PolarHBondContact O-N 3.09Å; L248-C257 HydrophobicContact CD1-CB 3.96Å; L248-T273 HydrophobicContact CD1-CG2 3.65Å; L248-P276 PolarHBondContact N-O 2.71Å; L248-V278 HydrophobicContact CD1-CB 4.4Å; L248-V278 HydrophobicContact CD1-CG1 4.45Å; L248-V278 HydrophobicContact CD2-CG1 4.03Å; L248-V278 HydrophobicContact CG-CG1 4.36Å
249	K	81.9	Confident	94.9	Very high	142 Å²	142	49.3 Å²	49.3	62%	0.617	24%	0.244	S	C	*	.			trans	-77.6	42.7	174.5	-67.5	-177.6	176.4	175.9	0	112.2	D199	D199-K249 VanDerWaalsContact CG-NZ 3.3Å; D199-K249 IonicContact OD1-NZ 3.68Å; D199-K249 WeakPolarHBondContact OD2-CE 3.17Å; D199-K249 IonicContact OD2-NZ 2.6Å; D199-K249 PolarHBondContact OD2-NZ 3.05Å
250	G	71.8	Confident	95	Very high	28 Å²	28	47 Å²	47	29%	0.289	23%	0.231	S	C	.	.			trans	-88.3	134	-168.2	0	0	0	0	0	113.5	L248 H255	L248-G250 PolarHBondContact O-N 3.09Å; G250-H255 WeakPolarHBondContact CA-CE1 3.49Å; G250-H255 WeakPolarHBondContact CA-NE2 3.41Å
251	S	79.4	Confident	95.1	Very high	73 Å²	73	43.8 Å²	43.8	51%	0.51	21%	0.213	S	C	.	.			trans	-84.5	-172	148.2	68.7	0	0	0	0	109.1	E253 H255	S251-E253 PolarHBondContact O-N 2.86Å; S251-E253 VanDerWaalsContact OG-CB 3.31Å; S251-E253 WeakPolarHBondContact OG-CB 3.33Å; S251-E253 WeakPolarHBondContact OG-CG 3.39Å; S251-E253 PolarHBondContact OG-N 3.23Å; S251-E253 VanDerWaalsContact OG-N 3.13Å; S251-H255 PolarHBondContact O-CE1 2.86Å
252	K	89.4	Confident	95.1	Very high	176 Å²	176	43.8 Å²	43.8	77%	0.765	21%	0.21	S	C	*	.	S	Bend	trans	-70	-5.3	169.6	-63.1	-172	177.5	-171.6	0	113.3	T274	K252-T274 VanDerWaalsContact O-CB 3.3Å; K252-T274 WeakPolarHBondContact O-CB 3.44Å; K252-T274 VanDerWaalsContact O-CG2 3.25Å; K252-T274 WeakPolarHBondContact O-CG2 3.33Å
253	E	95.1	Very high	95.1	Very high	141 Å²	141	45.8 Å²	45.8	66%	0.659	23%	0.227	S	C	*	.	S	Bend	trans	-77.1	158.5	176	-59.3	-58.3	141.3	0	0	111.7	S251 H255	S251-E253 PolarHBondContact O-N 2.86Å; S251-E253 VanDerWaalsContact OG-CB 3.31Å; S251-E253 WeakPolarHBondContact OG-CB 3.33Å; S251-E253 WeakPolarHBondContact OG-CG 3.39Å; S251-E253 PolarHBondContact OG-N 3.23Å; S251-E253 VanDerWaalsContact OG-N 3.13Å; E253-H255 PolarHBondContact O-N 2.99Å; E253-H255 PolarHBondContact O-ND1 3.4Å
254	K	97.8	Very high	95.1	Very high	90 Å²	90	49.1 Å²	49.1	39%	0.391	26%	0.257	S	S	.	.			trans	-58.6	119.8	172	179.8	175.9	-176.9	167.5	0	109.5	E156 Y272 T273 W336	E156-K254 IonicContact OE1-NZ 3.79Å; E156-K254 PolarHBondContact OE1-NZ 2.99Å; K254-Y272 VanDerWaalsContact CE-CB 3.45Å; K254-Y272 HydrophobicContact CG-CD1 4.49Å; K254-T273 WeakPolarHBondContact CA-O 3.33Å; K254-W336 HydrophobicContact CB-CH2 3.77Å; K254-W336 HydrophobicContact CB-CZ2 4.43Å; K254-W336 HydrophobicContact CB-CZ3 3.86Å; K254-W336 HydrophobicContact CD-CD2 3.86Å; K254-W336 HydrophobicContact CD-CE3 3.94Å; K254-W336 HydrophobicContact CD-CH2 4Å; K254-W336 HydrophobicContact CD-CZ2 3.92Å; K254-W336 HydrophobicContact CD-CZ3 4.01Å; K254-W336 HydrophobicContact CG-CD2 4.31Å; K254-W336 HydrophobicContact CG-CE3 3.85Å; K254-W336 HydrophobicContact CG-CH2 3.9Å; K254-W336 HydrophobicContact CG-CZ2 4.35Å; K254-W336 HydrophobicContact CG-CZ3 3.63Å; K254-W336 VanDerWaalsContact NZ-CD1 3.34Å
255	H	98.4	Very high	95	Very high	27 Å²	27	48.1 Å²	48.1	13%	0.125	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158.8	174.9	55	-85.3	0	0	0	110.7	G250 S251 E253 Y272 T273 Q275	G250-H255 WeakPolarHBondContact CA-CE1 3.49Å; G250-H255 WeakPolarHBondContact CA-NE2 3.41Å; S251-H255 PolarHBondContact O-CE1 2.86Å; E253-H255 PolarHBondContact O-N 2.99Å; E253-H255 PolarHBondContact O-ND1 3.4Å; H255-Y272 CarbonylContact O-C 3.54Å; H255-Y272 WeakPolarHBondContact O-CA 3.34Å; H255-Y272 WeakPolarHBondContact O-CB 3.28Å; H255-T273 PolarHBondContact CE1-O 3.33Å; H255-T273 VanDerWaalsContact CE1-O 3.23Å; H255-T273 PolarHBondContact N-O 2.86Å; H255-T273 PolarHBondContact ND1-O 3.19Å; H255-T273 PolarHBondContact O-N 3.13Å; H255-Q275 PolarHBondContact CE1-O 2.8Å; H255-Q275 PolarHBondContact NE2-O 2.83Å
256	F	98.4	Very high	95	Very high	34 Å²	34	48 Å²	48	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.4	177.4	178.5	-106.9	0	0	0	109.9	E197 A258 R259 Y272	E197-F256 HydrophobicContact CB-CD1 3.61Å; E197-F256 HydrophobicContact CB-CE1 3.96Å; E197-F256 HydrophobicContact CG-CD1 4.34Å; F256-A258 VanDerWaalsContact CE2-O 3.27Å; F256-A258 WeakPolarHBondContact CE2-O 3.34Å; F256-R259 HydrophobicContact CE2-CB 4.23Å; F256-R259 HydrophobicContact CZ-CB 3.8Å; F256-Y272 HydrophobicContact CB-CD1 4.09Å; F256-Y272 HydrophobicContact CB-CE1 4Å; F256-Y272 HydrophobicContact CD2-CD1 4.3Å; F256-Y272 AromaticContact CD2-CE1 3.86Å; F256-Y272 HydrophobicContact CD2-CE1 3.86Å; F256-Y272 HydrophobicContact CG-CE1 4.42Å
257	C	98.8	Very high	95	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-63.1	-179.5	167.5	0	0	0	0	109.8	E197 L248 V271 T273	E197-C257 PolarHBondContact N-O 2.82Å; L248-C257 HydrophobicContact CD1-CB 3.96Å; C257-V271 HydrophobicContact CB-CB 4.17Å; C257-V271 HydrophobicContact CB-CG1 4.01Å; C257-V271 WeakPolarHBondContact CB-O 3.36Å; C257-V271 PolarHBondContact N-O 2.91Å; C257-T273 HydrophobicContact CB-CG2 4.13Å
258	A	98.9	Very high	95.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	157	-172.9	0	0	0	0	0	112	T195 I196 F256 V271 L306	T195-A258 CarbonylContact O-C 3.45Å; T195-A258 WeakPolarHBondContact O-CA 3.1Å; T195-A258 WeakPolarHBondContact O-CB 3.32Å; I196-A258 HydrophobicContact CG1-CB 4.06Å; F256-A258 VanDerWaalsContact CE2-O 3.27Å; F256-A258 WeakPolarHBondContact CE2-O 3.34Å; A258-V271 PolarHBondContact N-O 3.33Å; A258-V271 PolarHBondContact O-N 2.92Å; A258-L306 HydrophobicContact CB-CD1 4.1Å; A258-L306 HydrophobicContact CB-CD2 4.19Å
259	R	98.9	Very high	95.1	Very high	95 Å²	95	47.7 Å²	47.7	36%	0.358	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.7	165.9	-179.8	-179	-63.4	114.7	-1.3	108.6	T195 F256 V268 L269 E270	T195-R259 PolarHBondContact N-O 2.9Å; T195-R259 PolarHBondContact O-N 2.93Å; F256-R259 HydrophobicContact CE2-CB 4.23Å; F256-R259 HydrophobicContact CZ-CB 3.8Å; R259-V268 HydrophobicContact CG-CG1 3.87Å; R259-L269 CarbonylContact C-O 3.54Å; R259-L269 VanDerWaalsContact CA-O 3.32Å; R259-L269 WeakPolarHBondContact CA-O 3.39Å; R259-E270 HydrophobicContact CB-CG 4.49Å; R259-E270 HydrophobicContact CG-CG 4.14Å; R259-E270 IonicContact CZ-OE1 3.83Å; R259-E270 VanDerWaalsContact CZ-OE1 3.25Å; R259-E270 IonicContact NE-OE1 3.59Å; R259-E270 PolarHBondContact NE-OE1 3.39Å; R259-E270 IonicContact NH2-OE1 3.68Å; R259-E270 PolarHBondContact NH2-OE1 2.85Å
260	V	98.9	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.9	170.3	-171.7	0	0	0	0	108.6	L181 H192 E193 V194 V268 L269 F304 L306	L181-V260 HydrophobicContact CD1-CB 4.12Å; L181-V260 HydrophobicContact CD1-CG1 3.9Å; L181-V260 WeakPolarHBondContact CD1-O 3.46Å; H192-V260 HydrophobicContact CB-CG1 3.98Å; E193-V260 CarbonylContact O-C 3.53Å; E193-V260 VanDerWaalsContact O-CA 3.29Å; E193-V260 WeakPolarHBondContact O-CA 3.27Å; V194-V260 HydrophobicContact CG2-CG1 4.24Å; V194-V260 HydrophobicContact CG2-CG2 4.39Å; V260-V268 CarbonylContact O-C 3.53Å; V260-V268 WeakPolarHBondContact O-CA 3.4Å; V260-L269 PolarHBondContact N-O 3.48Å; V260-L269 PolarHBondContact O-N 2.77Å; V260-F304 HydrophobicContact CB-CE2 4.4Å; V260-F304 HydrophobicContact CB-CZ 4.01Å; V260-F304 HydrophobicContact CG1-CE1 4.02Å; V260-F304 HydrophobicContact CG1-CE2 4.38Å; V260-F304 HydrophobicContact CG1-CZ 3.66Å; V260-F304 HydrophobicContact CG2-CE2 3.86Å; V260-F304 HydrophobicContact CG2-CZ 3.97Å; V260-L306 HydrophobicContact CG2-CD1 4.04Å
261	H	98.9	Very high	97.2	Very high	33 Å²	33	40.7 Å²	40.7	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.7	-178.9	169.5	-129.7	0	0	0	109.4	H192 E193 A263 V268	H192-H261 CarbonylContact C-O 3.57Å; H192-H261 WeakPolarHBondContact CA-O 3.28Å; E193-H261 HydrophobicContact CB-CB 4.29Å; E193-H261 PolarHBondContact N-O 3.42Å; E193-H261 PolarHBondContact O-N 2.9Å; E193-H261 IonicContact OE2-CE1 3.64Å; E193-H261 IonicContact OE2-CG 3.5Å; E193-H261 IonicContact OE2-ND1 3.25Å; E193-H261 PolarHBondContact OE2-ND1 2.98Å; H261-A263 WeakPolarHBondContact NE2-CA 3.29Å; H261-V268 HydrophobicContact CB-CG2 4.27Å
262	H	98.9	Very high	98.1	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.046	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	101.2	171.4	172.3	-107.2	0	0	0	108.9	L181 A182 D191 H192 A264 S265 G266 R267	L181-H262 HydrophobicContact CB-CB 3.67Å; L181-H262 HydrophobicContact CD1-CB 4.43Å; A182-H262 VanDerWaalsContact CB-CE1 3.48Å; A182-H262 WeakPolarHBondContact CB-CE1 3.45Å; D191-H262 VanDerWaalsContact CG-CD2 3.49Å; D191-H262 IonicContact OD1-CD2 3.68Å; D191-H262 PolarHBondContact OD1-CD2 3.37Å; D191-H262 IonicContact OD1-NE2 3.81Å; D191-H262 IonicContact OD2-CD2 3.25Å; D191-H262 IonicContact OD2-NE2 2.79Å; D191-H262 PolarHBondContact OD2-NE2 2.65Å; H192-H262 AromaticContact CE1-CD2 4Å; H192-H262 AromaticContact ND1-CD2 3.97Å; H262-A264 VanDerWaalsContact C-N 3.28Å; H262-A264 PolarHBondContact O-N 3.2Å; H262-S265 PolarHBondContact CE1-N 2.85Å; H262-S265 WeakPolarHBondContact ND1-CB 3.39Å; H262-S265 PolarHBondContact ND1-N 2.81Å; H262-S265 PolarHBondContact ND1-OG 3.22Å; H262-S265 PolarHBondContact O-N 2.84Å; H262-S265 PolarHBondContact O-OG 3.34Å; H262-G266 WeakPolarHBondContact O-CA 3.2Å; H262-G266 PolarHBondContact O-N 2.74Å; H262-R267 PolarHBondContact N-O 3.1Å
263	A	98.6	Very high	98.6	Very high	43 Å²	43	31.3 Å²	31.3	36%	0.355	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.2	-167.7	0	0	0	0	0	114	R48 H261 G266	R48-A263 PolarHBondContact NH1-O 3.45Å; R48-A263 PolarHBondContact NH2-O 2.99Å; H261-A263 WeakPolarHBondContact NE2-CA 3.29Å; A263-G266 PolarHBondContact O-N 2.87Å
264	A	98.6	Very high	98.7	Very high	87 Å²	87	25.3 Å²	25.3	72%	0.719	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-38.5	-177.9	0	0	0	0	0	112.6	H262	H262-A264 VanDerWaalsContact C-N 3.28Å; H262-A264 PolarHBondContact O-N 3.2Å
265	S	98.8	Very high	98.8	Very high	12 Å²	12	21.1 Å²	21.1	8%	0.084	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-21.7	171.7	69.2	0	0	0	0	112.6	D47 R48 L181 H262 R267	D47-S265 WeakPolarHBondContact CB-O 3.5Å; R48-S265 PolarHBondContact N-O 2.82Å; R48-S265 VanDerWaalsContact N-O 3.16Å; L181-S265 PolarHBondContact O-OG 2.93Å; H262-S265 PolarHBondContact CE1-N 2.85Å; H262-S265 WeakPolarHBondContact ND1-CB 3.39Å; H262-S265 PolarHBondContact ND1-N 2.81Å; H262-S265 PolarHBondContact ND1-OG 3.22Å; H262-S265 PolarHBondContact O-N 2.84Å; H262-S265 PolarHBondContact O-OG 3.34Å; S265-R267 PolarHBondContact O-N 2.9Å; S265-R267 WeakPolarHBondContact OG-CB 3.3Å; S265-R267 WeakPolarHBondContact OG-CG 3.45Å; S265-R267 PolarHBondContact OG-N 3.08Å
266	G	98.8	Very high	98.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	5.3	-169.7	0	0	0	0	0	113.7	H262 A263 V341 A342	H262-G266 WeakPolarHBondContact O-CA 3.2Å; H262-G266 PolarHBondContact O-N 2.74Å; A263-G266 PolarHBondContact O-N 2.87Å; G266-V341 CarbonylContact O-C 3.52Å; G266-V341 VanDerWaalsContact O-CA 3.24Å; G266-V341 WeakPolarHBondContact O-CA 3.3Å; G266-A342 PolarHBondContact O-N 2.65Å
267	R	98.9	Very high	98.8	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.8	178.3	-66.2	-176.6	-167.6	110	2.8	110.1	V45 K46 R51 S53 L181 H262 S265	V45-R267 HydrophobicContact CG1-CG 4.24Å; V45-R267 PolarHBondContact O-NE 3.34Å; V45-R267 PolarHBondContact O-NH2 2.89Å; K46-R267 WeakPolarHBondContact O-CG 3.43Å; R51-R267 PolarHBondContact O-NH2 3.13Å; S53-R267 PolarHBondContact OG-NH2 2.89Å; L181-R267 HydrophobicContact CB-CB 4.24Å; L181-R267 WeakPolarHBondContact O-CD 3.27Å; L181-R267 PolarHBondContact O-NH1 3.14Å; H262-R267 PolarHBondContact N-O 3.1Å; S265-R267 PolarHBondContact O-N 2.9Å; S265-R267 WeakPolarHBondContact OG-CB 3.3Å; S265-R267 WeakPolarHBondContact OG-CG 3.45Å; S265-R267 PolarHBondContact OG-N 3.08Å
268	V	98.9	Very high	98.8	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134	174.8	-179.8	0	0	0	0	108.9	R259 V260 H261 E270 F339 S340 A342	R259-V268 HydrophobicContact CG-CG1 3.87Å; V260-V268 CarbonylContact O-C 3.53Å; V260-V268 WeakPolarHBondContact O-CA 3.4Å; H261-V268 HydrophobicContact CB-CG2 4.27Å; V268-E270 HydrophobicContact CG1-CG 4.03Å; V268-F339 WeakPolarHBondContact O-CA 3.29Å; V268-S340 PolarHBondContact N-O 2.79Å; V268-S340 PolarHBondContact O-N 3.15Å; V268-A342 HydrophobicContact CG2-CB 3.58Å
269	L	98.9	Very high	98.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.3	165.8	169.4	59.3	0	0	0	108.5	F179 L181 R259 V260 V271 F304 L306 F337 F339	F179-L269 HydrophobicContact CD1-CD2 4.29Å; F179-L269 HydrophobicContact CD2-CD2 4.37Å; F179-L269 HydrophobicContact CE1-CD2 4.5Å; F179-L269 HydrophobicContact CG-CD2 4.23Å; L181-L269 HydrophobicContact CD1-CB 4.17Å; L181-L269 HydrophobicContact CD2-CB 4.13Å; R259-L269 CarbonylContact C-O 3.54Å; R259-L269 VanDerWaalsContact CA-O 3.32Å; R259-L269 WeakPolarHBondContact CA-O 3.39Å; V260-L269 PolarHBondContact N-O 3.48Å; V260-L269 PolarHBondContact O-N 2.77Å; L269-V271 HydrophobicContact CD1-CG2 4.07Å; L269-V271 HydrophobicContact CD2-CG2 4.27Å; L269-V271 HydrophobicContact CG-CG2 3.99Å; L269-F304 HydrophobicContact CD2-CE2 4.44Å; L269-L306 HydrophobicContact CD2-CD1 4.43Å; L269-F337 HydrophobicContact CD1-CB 4.09Å; L269-F337 HydrophobicContact CD1-CD1 4.24Å; L269-F339 HydrophobicContact CB-CD1 4.37Å; L269-F339 HydrophobicContact CB-CE1 4.13Å; L269-F339 HydrophobicContact CD1-CD1 4.31Å; L269-F339 HydrophobicContact CD1-CE1 3.9Å; L269-F339 HydrophobicContact CD1-CE2 4.1Å; L269-F339 HydrophobicContact CD1-CZ 3.79Å; L269-F339 HydrophobicContact CG-CE1 4.4Å
270	E	98.9	Very high	98.8	Very high	22 Å²	22	15 Å²	15	10%	0.103	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.9	165.9	-62.4	-178.7	134	0	0	109	R259 V268 Y272 K338	R259-E270 HydrophobicContact CB-CG 4.49Å; R259-E270 HydrophobicContact CG-CG 4.14Å; R259-E270 IonicContact CZ-OE1 3.83Å; R259-E270 VanDerWaalsContact CZ-OE1 3.25Å; R259-E270 IonicContact NE-OE1 3.59Å; R259-E270 PolarHBondContact NE-OE1 3.39Å; R259-E270 IonicContact NH2-OE1 3.68Å; R259-E270 PolarHBondContact NH2-OE1 2.85Å; V268-E270 HydrophobicContact CG1-CG 4.03Å; E270-Y272 HydrophobicContact CB-CE2 3.97Å; E270-K338 HydrophobicContact CB-CB 4.32Å; E270-K338 PolarHBondContact N-O 3.1Å; E270-K338 PolarHBondContact O-N 3.11Å; E270-K338 IonicContact OE2-NZ 3.2Å
271	V	98.9	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.9	177.1	-175.1	0	0	0	0	109	C257 A258 L269 L306 T308 T335 W336 F337	C257-V271 HydrophobicContact CB-CB 4.17Å; C257-V271 HydrophobicContact CB-CG1 4.01Å; C257-V271 WeakPolarHBondContact CB-O 3.36Å; C257-V271 PolarHBondContact N-O 2.91Å; A258-V271 PolarHBondContact N-O 3.33Å; A258-V271 PolarHBondContact O-N 2.92Å; L269-V271 HydrophobicContact CD1-CG2 4.07Å; L269-V271 HydrophobicContact CD2-CG2 4.27Å; L269-V271 HydrophobicContact CG-CG2 3.99Å; V271-L306 HydrophobicContact CG2-CD1 3.79Å; V271-T308 HydrophobicContact CG1-CG2 3.97Å; V271-T335 HydrophobicContact CG1-CG2 3.92Å; V271-W336 WeakPolarHBondContact CA-O 3.23Å; V271-F337 HydrophobicContact CG2-CD1 4.06Å; V271-F337 HydrophobicContact CG2-CE1 4.36Å
272	Y	98.9	Very high	98.8	Very high	52 Å²	52	13.9 Å²	13.9	20%	0.204	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.5	167.5	-57.5	-99.1	0	0	0	108.8	K254 H255 F256 E270 T335 W336 K338	K254-Y272 VanDerWaalsContact CE-CB 3.45Å; K254-Y272 HydrophobicContact CG-CD1 4.49Å; H255-Y272 CarbonylContact O-C 3.54Å; H255-Y272 WeakPolarHBondContact O-CA 3.34Å; H255-Y272 WeakPolarHBondContact O-CB 3.28Å; F256-Y272 HydrophobicContact CB-CD1 4.09Å; F256-Y272 HydrophobicContact CB-CE1 4Å; F256-Y272 HydrophobicContact CD2-CD1 4.3Å; F256-Y272 AromaticContact CD2-CE1 3.86Å; F256-Y272 HydrophobicContact CD2-CE1 3.86Å; F256-Y272 HydrophobicContact CG-CE1 4.42Å; E270-Y272 HydrophobicContact CB-CE2 3.97Å; Y272-T335 CarbonylContact O-C 3.42Å; Y272-T335 WeakPolarHBondContact O-CA 3.49Å; Y272-W336 PolarHBondContact N-O 2.64Å; Y272-W336 PolarHBondContact O-N 2.83Å; Y272-K338 HydrophobicContact CE2-CD 4.32Å
273	T	98.9	Very high	98.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	169.3	180	-167.4	0	0	0	0	112.4	L248 K254 H255 C257 Q275 T308 T334 T335	L248-T273 HydrophobicContact CD1-CG2 3.65Å; K254-T273 WeakPolarHBondContact CA-O 3.33Å; H255-T273 PolarHBondContact CE1-O 3.33Å; H255-T273 VanDerWaalsContact CE1-O 3.23Å; H255-T273 PolarHBondContact N-O 2.86Å; H255-T273 PolarHBondContact ND1-O 3.19Å; H255-T273 PolarHBondContact O-N 3.13Å; C257-T273 HydrophobicContact CB-CG2 4.13Å; T273-Q275 HydrophobicContact CG2-CB 4.07Å; T273-Q275 WeakPolarHBondContact OG1-CB 2.99Å; T273-Q275 WeakPolarHBondContact OG1-CG 3.44Å; T273-Q275 PolarHBondContact OG1-N 3.13Å; T273-Q275 VanDerWaalsContact OG1-N 3.08Å; T273-T308 HydrophobicContact CG2-CG2 3.91Å; T273-T308 WeakPolarHBondContact OG1-CB 3.32Å; T273-T334 CarbonylContact C-O 3.52Å; T273-T334 VanDerWaalsContact CA-O 3.26Å; T273-T334 WeakPolarHBondContact CA-O 3.27Å; T273-T334 PolarHBondContact OG1-O 2.95Å; T273-T335 PolarHBondContact OG1-OG1 3.1Å
274	T	98.7	Very high	98.8	Very high	16 Å²	16	12.4 Å²	12.4	10%	0.098	8%	0.076	C	C	.	.	S	Bend	trans	-103.6	0.2	163.7	65.5	0	0	0	0	112.3	K252 H333 T334 W336	K252-T274 VanDerWaalsContact O-CB 3.3Å; K252-T274 WeakPolarHBondContact O-CB 3.44Å; K252-T274 VanDerWaalsContact O-CG2 3.25Å; K252-T274 WeakPolarHBondContact O-CG2 3.33Å; T274-H333 PolarHBondContact O-CE1 2.73Å; T274-H333 PolarHBondContact O-ND1 3.3Å; T274-H333 VanDerWaalsContact OG1-CA 3.3Å; T274-H333 WeakPolarHBondContact OG1-CA 3.3Å; T274-H333 PolarHBondContact OG1-ND1 3.44Å; T274-T334 PolarHBondContact N-O 2.5Å; T274-T334 PolarHBondContact OG1-N 2.74Å; T274-W336 HydrophobicContact CG2-CH2 3.92Å; T274-W336 HydrophobicContact CG2-CZ3 3.96Å
275	Q	98.7	Very high	98.7	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.068	C	C	.	.	S	Bend	trans	-78.8	148.1	-178.9	-67.9	-76	179.3	0	0	111.8	H255 T273 G277 N310 Y331 H333	H255-Q275 PolarHBondContact CE1-O 2.8Å; H255-Q275 PolarHBondContact NE2-O 2.83Å; T273-Q275 HydrophobicContact CG2-CB 4.07Å; T273-Q275 WeakPolarHBondContact OG1-CB 2.99Å; T273-Q275 WeakPolarHBondContact OG1-CG 3.44Å; T273-Q275 PolarHBondContact OG1-N 3.13Å; T273-Q275 VanDerWaalsContact OG1-N 3.08Å; Q275-G277 VanDerWaalsContact C-N 3.27Å; Q275-G277 PolarHBondContact O-N 2.99Å; Q275-N310 VanDerWaalsContact NE2-N 3.16Å; Q275-Y331 PolarHBondContact OE1-OH 3.23Å; Q275-H333 HydrophobicContact CG-CB 4.33Å; Q275-H333 VanDerWaalsContact OE1-CG 3.26Å
276	P	98.1	Very high	98.7	Very high	23 Å²	23	14 Å²	14	15%	0.149	7%	0.065	C	C	.	.	S	Bend	trans	-80.5	-3.8	-177.9	34.5	-38	0	0	0	114	L248 Q309 N310 W311 P321	L248-P276 PolarHBondContact N-O 2.71Å; P276-Q309 WeakPolarHBondContact CD-O 3.35Å; P276-N310 HydrophobicContact CG-CB 4.26Å; P276-N310 WeakPolarHBondContact CG-OD1 3.39Å; P276-W311 PolarHBondContact O-NE1 2.82Å; P276-P321 HydrophobicContact CB-CB 4.27Å; P276-P321 HydrophobicContact CB-CG 3.89Å; P276-P321 HydrophobicContact CG-CB 4.05Å; P276-P321 HydrophobicContact CG-CG 3.98Å
277	G	98.6	Very high	98.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.4	-179	0	0	0	0	0	112.9	F246 Q275 T308 Q309	F246-G277 VanDerWaalsContact O-CA 3.22Å; F246-G277 WeakPolarHBondContact O-CA 3.24Å; Q275-G277 VanDerWaalsContact C-N 3.27Å; Q275-G277 PolarHBondContact O-N 2.99Å; G277-T308 WeakPolarHBondContact O-CA 3.38Å; G277-Q309 CarbonylContact C-O 3.59Å; G277-Q309 WeakPolarHBondContact CA-O 3.31Å; G277-Q309 PolarHBondContact N-O 3.21Å; G277-Q309 PolarHBondContact O-N 3.49Å; G277-Q309 VanDerWaalsContact O-O 3.09Å
278	V	98.9	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	125.8	170.6	61.2	0	0	0	0	109.7	I196 N245 F246 L248 F280 L306 E307 T308	I196-V278 HydrophobicContact CG2-CG1 4.05Å; N245-V278 WeakPolarHBondContact CA-O 3.49Å; F246-V278 HydrophobicContact CB-CG1 3.91Å; F246-V278 PolarHBondContact N-O 2.92Å; F246-V278 PolarHBondContact O-N 2.89Å; F246-V278 VanDerWaalsContact O-N 3.07Å; L248-V278 HydrophobicContact CD1-CB 4.4Å; L248-V278 HydrophobicContact CD1-CG1 4.45Å; L248-V278 HydrophobicContact CD2-CG1 4.03Å; L248-V278 HydrophobicContact CG-CG1 4.36Å; V278-F280 PolarHBondContact O-N 3.09Å; V278-L306 HydrophobicContact CG2-CB 4.05Å; V278-L306 HydrophobicContact CG2-CD2 3.97Å; V278-E307 CarbonylContact C-O 3.54Å; V278-E307 WeakPolarHBondContact CA-O 3.41Å; V278-T308 HydrophobicContact CG2-CG2 4.45Å
279	Q	98.9	Very high	98.6	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.019	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.1	164.2	-166.1	71	12.4	0	0	107.6	N81 D243 H244 L306 E307	N81-Q279 PolarHBondContact ND2-OE1 2.77Å; D243-Q279 PolarHBondContact O-NE2 3.04Å; D243-Q279 VanDerWaalsContact O-NE2 3.12Å; D243-Q279 PolarHBondContact OD1-NE2 2.75Å; H244-Q279 WeakPolarHBondContact O-CA 3.36Å; Q279-L306 WeakPolarHBondContact O-CA 3.13Å; Q279-E307 HydrophobicContact CB-CB 3.87Å; Q279-E307 HydrophobicContact CB-CG 4.35Å; Q279-E307 PolarHBondContact N-O 3.2Å; Q279-E307 PolarHBondContact O-N 3.07Å
280	F	98.9	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.3	167.4	-178.3	-139.4	0	0	0	108.8	V194 I196 L224 L230 F242 H244 F246 V278 T282 F304 L306	V194-F280 HydrophobicContact CG1-CE1 4.06Å; V194-F280 HydrophobicContact CG1-CZ 3.96Å; V194-F280 HydrophobicContact CG2-CZ 4.1Å; I196-F280 HydrophobicContact CD1-CB 3.76Å; I196-F280 HydrophobicContact CD1-CD1 3.72Å; I196-F280 HydrophobicContact CD1-CE1 4.46Å; I196-F280 HydrophobicContact CD1-CG 3.76Å; L224-F280 HydrophobicContact CD1-CD1 3.93Å; L224-F280 HydrophobicContact CD1-CE1 3.96Å; L230-F280 HydrophobicContact CD1-CE1 4.38Å; L230-F280 HydrophobicContact CD1-CZ 4.3Å; L230-F280 HydrophobicContact CD2-CZ 4.37Å; F242-F280 CarbonylContact C-O 3.45Å; F242-F280 HydrophobicContact CB-CD1 3.91Å; F242-F280 HydrophobicContact CB-CE1 4.3Å; F242-F280 WeakPolarHBondContact CB-O 3.45Å; F242-F280 AromaticContact CD2-CD1 3.91Å; F242-F280 HydrophobicContact CD2-CD1 3.91Å; F242-F280 AromaticContact CD2-CE1 3.56Å; F242-F280 HydrophobicContact CD2-CE1 3.56Å; F242-F280 HydrophobicContact CE2-CE1 4.15Å; F242-F280 AromaticContact CG-CD1 3.94Å; F242-F280 HydrophobicContact CG-CD1 3.94Å; F242-F280 HydrophobicContact CG-CE1 4.09Å; H244-F280 PolarHBondContact N-O 2.95Å; H244-F280 PolarHBondContact O-N 3.36Å; F246-F280 HydrophobicContact CD2-CB 3.92Å; F246-F280 HydrophobicContact CE2-CB 3.81Å; F246-F280 HydrophobicContact CE2-CD1 4.14Å; V278-F280 PolarHBondContact O-N 3.09Å; F280-T282 HydrophobicContact CE1-CG2 4.1Å; F280-T282 HydrophobicContact CE2-CG2 4.1Å; F280-T282 HydrophobicContact CZ-CG2 3.72Å; F280-F304 HydrophobicContact CE2-CB 3.97Å; F280-F304 HydrophobicContact CE2-CD2 4.2Å; F280-F304 HydrophobicContact CE2-CG 4.27Å; F280-L306 HydrophobicContact CB-CD2 4.35Å; F280-L306 HydrophobicContact CD2-CD2 3.7Å; F280-L306 HydrophobicContact CE2-CD2 4.42Å; F280-L306 HydrophobicContact CG-CD2 4.3Å
281	Y	98.9	Very high	98.4	Very high	11 Å²	11	32.9 Å²	32.9	4%	0.043	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.3	-178.1	168.1	-121.4	0	0	0	110.6	Y178 F242 D243 G283 N284 F285 F304 C305	Y178-Y281 HydrophobicContact CE1-CD1 4.09Å; Y178-Y281 AromaticContact CE1-CE1 3.57Å; Y178-Y281 HydrophobicContact CE1-CE1 3.57Å; Y178-Y281 AromaticContact CZ-CE1 3.86Å; Y178-Y281 WeakPolarHBondContact OH-CE1 3.32Å; F242-Y281 WeakPolarHBondContact O-CA 3.38Å; D243-Y281 HydrophobicContact CB-CD2 3.91Å; Y281-G283 PolarHBondContact O-N 3.18Å; Y281-G283 VanDerWaalsContact OH-C 3.31Å; Y281-G283 WeakPolarHBondContact OH-CA 3.24Å; Y281-N284 HydrophobicContact CE2-CB 3.88Å; Y281-N284 VanDerWaalsContact CZ-N 3.34Å; Y281-N284 PolarHBondContact OH-N 3.43Å; Y281-N284 VanDerWaalsContact OH-N 3.16Å; Y281-F285 AromaticContact CE2-CD2 3.9Å; Y281-F285 HydrophobicContact CE2-CD2 3.9Å; Y281-F285 HydrophobicContact CE2-CE2 4.34Å; Y281-F285 AromaticContact CZ-CD2 3.98Å; Y281-F285 WeakPolarHBondContact OH-CB 3.48Å; Y281-F285 WeakPolarHBondContact OH-CD2 3.41Å; Y281-F285 PolarHBondContact OH-N 3.47Å; Y281-F304 CarbonylContact O-C 3.54Å; Y281-F304 WeakPolarHBondContact O-CA 3.26Å; Y281-C305 HydrophobicContact CD1-CB 4.42Å; Y281-C305 PolarHBondContact N-O 3.21Å; Y281-C305 PolarHBondContact O-N 2.88Å
282	T	98.9	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.			trans	-94.9	26.5	-173.9	48.7	0	0	0	0	114	I189 L230 G241 F242 F280 N284 H301 G303	I189-T282 HydrophobicContact CD1-CG2 4.07Å; L230-T282 HydrophobicContact CD1-CG2 4.41Å; L230-T282 HydrophobicContact CD2-CG2 4.07Å; G241-T282 VanDerWaalsContact CA-OG1 3.24Å; G241-T282 WeakPolarHBondContact CA-OG1 3.42Å; F242-T282 HydrophobicContact CB-CG2 4.22Å; F242-T282 HydrophobicContact CD2-CG2 4.08Å; F242-T282 PolarHBondContact N-OG1 3.13Å; F242-T282 PolarHBondContact O-N 2.7Å; F242-T282 PolarHBondContact O-OG1 3.36Å; F280-T282 HydrophobicContact CE1-CG2 4.1Å; F280-T282 HydrophobicContact CE2-CG2 4.1Å; F280-T282 HydrophobicContact CZ-CG2 3.72Å; T282-N284 VanDerWaalsContact C-N 3.32Å; T282-N284 PolarHBondContact O-N 2.74Å; T282-N284 PolarHBondContact OG1-OD1 3.12Å; T282-H301 WeakPolarHBondContact O-CA 3.27Å; T282-H301 PolarHBondContact O-CD2 3.15Å; T282-G303 CarbonylContact C-O 3.5Å
283	G	98.5	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.			trans	66.8	32.5	175.1	0	0	0	0	0	113.8	Y281 F285 L286 H301 G303	Y281-G283 PolarHBondContact O-N 3.18Å; Y281-G283 VanDerWaalsContact OH-C 3.31Å; Y281-G283 WeakPolarHBondContact OH-CA 3.24Å; G283-F285 PolarHBondContact O-N 3.37Å; G283-L286 PolarHBondContact O-N 2.98Å; G283-H301 PolarHBondContact O-N 2.76Å; G283-H301 VanDerWaalsContact O-N 3.11Å; G283-G303 WeakPolarHBondContact CA-O 3.12Å; G283-G303 PolarHBondContact N-O 3.36Å
284	N	98.5	Very high	98.1	Very high	21 Å²	21	39.1 Å²	39.1	11%	0.112	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.9	-171	-50.3	-29.9	0	0	0	113.8	F242 Y281 T282 H301	F242-N284 PolarHBondContact O-ND2 2.81Å; Y281-N284 HydrophobicContact CE2-CB 3.88Å; Y281-N284 VanDerWaalsContact CZ-N 3.34Å; Y281-N284 PolarHBondContact OH-N 3.43Å; Y281-N284 VanDerWaalsContact OH-N 3.16Å; T282-N284 VanDerWaalsContact C-N 3.32Å; T282-N284 PolarHBondContact O-N 2.74Å; T282-N284 PolarHBondContact OG1-OD1 3.12Å; N284-H301 PolarHBondContact OD1-NE2 2.87Å
285	F	98.1	Very high	97.9	Very high	126 Å²	126	41.8 Å²	41.8	55%	0.553	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.4	-175.6	-61	-72.2	0	0	0	113.8	L208 Y281 G283	L208-F285 HydrophobicContact CD1-CZ 4.5Å; Y281-F285 AromaticContact CE2-CD2 3.9Å; Y281-F285 HydrophobicContact CE2-CD2 3.9Å; Y281-F285 HydrophobicContact CE2-CE2 4.34Å; Y281-F285 AromaticContact CZ-CD2 3.98Å; Y281-F285 WeakPolarHBondContact OH-CB 3.48Å; Y281-F285 WeakPolarHBondContact OH-CD2 3.41Å; Y281-F285 PolarHBondContact OH-N 3.47Å; G283-F285 PolarHBondContact O-N 3.37Å
286	L	98.6	Very high	97.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	24%	0.244	C	C	.	.			trans	-66	136.1	168.3	-65.4	171.9	0	0	0	108.6	L57 P70 F72 Y178 G283 P299 K300	L57-L286 HydrophobicContact CD1-CD1 4.12Å; P70-L286 HydrophobicContact CG-CD2 3.9Å; F72-L286 HydrophobicContact CE1-CD2 4.39Å; F72-L286 HydrophobicContact CZ-CD2 3.74Å; Y178-L286 HydrophobicContact CD1-CD1 4.24Å; Y178-L286 HydrophobicContact CE1-CD1 4.21Å; Y178-L286 HydrophobicContact CE1-CG 4.5Å; G283-L286 PolarHBondContact O-N 2.98Å; L286-P299 VanDerWaalsContact CB-O 3.3Å; L286-P299 WeakPolarHBondContact CB-O 3.26Å; L286-K300 WeakPolarHBondContact O-CA 3.44Å; L286-K300 VanDerWaalsContact O-CB 3.24Å; L286-K300 WeakPolarHBondContact O-CB 3.13Å; L286-K300 PolarHBondContact O-N 2.88Å
287	D	98	Very high	97.8	Very high	109 Å²	109	44.9 Å²	44.9	58%	0.583	26%	0.259	S	S	*	.			trans	-123	0.7	-170.7	64.4	2.4	0	0	0	113.3	T289	D287-T289 HydrophobicContact CB-CG2 4.5Å; D287-T289 VanDerWaalsContact CG-OG1 3.31Å; D287-T289 VanDerWaalsContact OD1-CB 3.31Å; D287-T289 WeakPolarHBondContact OD1-CB 3.44Å; D287-T289 WeakPolarHBondContact OD1-CG2 3.43Å; D287-T289 PolarHBondContact OD1-N 2.95Å; D287-T289 PolarHBondContact OD1-OG1 3.17Å; D287-T289 PolarHBondContact OD2-OG1 3.43Å
288	G	97.8	Very high	97.8	Very high	26 Å²	26	44.9 Å²	44.9	27%	0.268	26%	0.259	S	S	.	.	S	Bend	trans	76.6	21.1	-179.1	0	0	0	0	0	113.7	V297 Y298	G288-V297 WeakPolarHBondContact O-CG1 3.45Å; G288-Y298 VanDerWaalsContact CA-O 3.31Å; G288-Y298 WeakPolarHBondContact CA-O 3.34Å; G288-Y298 PolarHBondContact N-O 2.78Å
289	T	97.8	Very high	97.8	Very high	100 Å²	100	47 Å²	47	61%	0.613	27%	0.272	S	S	*	.			trans	-99.4	-19.6	177	66.3	0	0	0	0	113.4	D287	D287-T289 HydrophobicContact CB-CG2 4.5Å; D287-T289 VanDerWaalsContact CG-OG1 3.31Å; D287-T289 VanDerWaalsContact OD1-CB 3.31Å; D287-T289 WeakPolarHBondContact OD1-CB 3.44Å; D287-T289 WeakPolarHBondContact OD1-CG2 3.43Å; D287-T289 PolarHBondContact OD1-N 2.95Å; D287-T289 PolarHBondContact OD1-OG1 3.17Å; D287-T289 PolarHBondContact OD2-OG1 3.43Å
290	L	97.8	Very high	97.8	Very high	20 Å²	20	50.7 Å²	50.7	11%	0.105	29%	0.288	C	S	.	.	S	Bend	trans	-79.1	126.3	-177.6	-67.3	169.3	0	0	0	111.2	Q69 P70 F72 G292 Y298	Q69-L290 HydrophobicContact CB-CD1 4.49Å; Q69-L290 HydrophobicContact CB-CD2 4.46Å; P70-L290 HydrophobicContact CG-CD1 4.3Å; F72-L290 HydrophobicContact CE2-CD1 3.67Å; F72-L290 HydrophobicContact CZ-CD1 4.25Å; L290-G292 PolarHBondContact O-N 3.43Å; L290-Y298 HydrophobicContact CB-CD2 4.42Å
291	K	95.6	Very high	97.8	Very high	175 Å²	175	50.9 Å²	50.9	76%	0.761	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-80.7	106.2	172.6	-63	-179	-177.2	178.1	0	109.1	F59	F59-K291 VanDerWaalsContact CD1-O 3.27Å; F59-K291 WeakPolarHBondContact CD1-O 3.41Å; F59-K291 WeakPolarHBondContact CE1-O 3.21Å
292	G	97.6	Very high	97.8	Very high	13 Å²	13	50.4 Å²	50.4	13%	0.134	29%	0.287	C	S	.	.			trans	-82.5	-166.8	178.5	0	0	0	0	0	113.9	L290 A296 Y298	L290-G292 PolarHBondContact O-N 3.43Å; G292-A296 WeakPolarHBondContact CA-O 3.37Å; G292-A296 PolarHBondContact N-O 2.82Å; G292-Y298 VanDerWaalsContact CA-CZ 3.41Å; G292-Y298 VanDerWaalsContact CA-OH 3.29Å; G292-Y298 WeakPolarHBondContact CA-OH 3.34Å
293	K	98.1	Very high	97.8	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.052	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-67.7	150.7	173.1	-73.8	169.9	-72.5	-178.4	0	110.1	T41 D54 V56 G58 F59 A60 G295 A296 Y298	T41-K293 PolarHBondContact O-NZ 2.62Å; D54-K293 IonicContact OD1-NZ 2.84Å; D54-K293 WeakPolarHBondContact OD2-CE 2.94Å; D54-K293 IonicContact OD2-NZ 3.48Å; D54-K293 PolarHBondContact OD2-NZ 3.14Å; V56-K293 PolarHBondContact O-NZ 3.12Å; G58-K293 PolarHBondContact O-N 3.22Å; F59-K293 VanDerWaalsContact C-CG 3.47Å; A60-K293 HydrophobicContact CB-CG 4.31Å; K293-G295 PolarHBondContact O-N 2.97Å; K293-A296 WeakPolarHBondContact O-CB 3.49Å; K293-A296 PolarHBondContact O-N 2.91Å; K293-Y298 PolarHBondContact N-OH 2.86Å
294	N	96.3	Very high	97.8	Very high	159 Å²	159	50.4 Å²	50.4	85%	0.85	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	53	29.8	174.8	-57.1	-30.3	0	0	0	114.9	A296	N294-A296 PolarHBondContact O-N 3.35Å
295	G	94	Very high	97.8	Very high	71 Å²	71	49.4 Å²	49.4	73%	0.732	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	73.5	7.9	-177.4	0	0	0	0	0	114.6	K293	K293-G295 PolarHBondContact O-N 2.97Å
296	A	97.2	Very high	97.9	Very high	15 Å²	15	43.5 Å²	43.5	12%	0.124	26%	0.256	C	S	.	.			trans	-60.6	150.9	172.4	0	0	0	0	0	110.7	G292 K293 N294 Y298	G292-A296 WeakPolarHBondContact CA-O 3.37Å; G292-A296 PolarHBondContact N-O 2.82Å; K293-A296 WeakPolarHBondContact O-CB 3.49Å; K293-A296 PolarHBondContact O-N 2.91Å; N294-A296 PolarHBondContact O-N 3.35Å; A296-Y298 HydrophobicContact CB-CE1 3.91Å
297	V	97.6	Very high	97.9	Very high	74 Å²	74	43.4 Å²	43.4	45%	0.448	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-121.5	141.5	169.7	172.8	0	0	0	0	106.4	G288 P299	G288-V297 WeakPolarHBondContact O-CG1 3.45Å; V297-P299 VanDerWaalsContact C-CD 3.5Å; V297-P299 WeakPolarHBondContact O-CD 3.44Å
298	Y	98.6	Very high	97.9	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	23%	0.228	C	C	.	.			trans	-105.4	88.1	-175.4	-55.3	-41.6	0	0	0	110.7	L57 G58 F72 Q184 G288 L290 G292 K293 A296 S302	L57-Y298 HydrophobicContact CB-CD1 4.38Å; L57-Y298 HydrophobicContact CB-CD2 4.39Å; L57-Y298 HydrophobicContact CB-CE1 4.1Å; L57-Y298 HydrophobicContact CB-CE2 4.09Å; L57-Y298 HydrophobicContact CD1-CD1 4.08Å; L57-Y298 HydrophobicContact CD1-CG 4.11Å; L57-Y298 HydrophobicContact CD2-CD1 3.77Å; L57-Y298 HydrophobicContact CD2-CE1 3.63Å; L57-Y298 HydrophobicContact CG-CD1 4.29Å; L57-Y298 HydrophobicContact CG-CE1 4.29Å; G58-Y298 PolarHBondContact N-OH 2.83Å; G58-Y298 VanDerWaalsContact N-OH 3.13Å; G58-Y298 WeakPolarHBondContact O-CE2 3.13Å; G58-Y298 PolarHBondContact O-OH 3Å; F72-Y298 HydrophobicContact CE1-CD2 4.32Å; F72-Y298 HydrophobicContact CE2-CD2 4.18Å; F72-Y298 AromaticContact CZ-CD2 3.67Å; F72-Y298 HydrophobicContact CZ-CD2 3.67Å; F72-Y298 HydrophobicContact CZ-CE2 4.24Å; F72-Y298 HydrophobicContact CZ-CG 4.41Å; Q184-Y298 PolarHBondContact OE1-OH 2.81Å; G288-Y298 VanDerWaalsContact CA-O 3.31Å; G288-Y298 WeakPolarHBondContact CA-O 3.34Å; G288-Y298 PolarHBondContact N-O 2.78Å; L290-Y298 HydrophobicContact CB-CD2 4.42Å; G292-Y298 VanDerWaalsContact CA-CZ 3.41Å; G292-Y298 VanDerWaalsContact CA-OH 3.29Å; G292-Y298 WeakPolarHBondContact CA-OH 3.34Å; K293-Y298 PolarHBondContact N-OH 2.86Å; A296-Y298 HydrophobicContact CB-CE1 3.91Å; Y298-S302 WeakPolarHBondContact CA-OG 2.99Å; Y298-S302 WeakPolarHBondContact CB-OG 3.4Å
299	P	98.6	Very high	98	Very high	43 Å²	43	37 Å²	37	28%	0.279	22%	0.215	S	C	.	.			trans	-72.2	172	173.9	33.4	-38.8	0	0	0	111.7	P187 L286 V297 H301 S302	P187-P299 WeakPolarHBondContact O-CG 3.34Å; L286-P299 VanDerWaalsContact CB-O 3.3Å; L286-P299 WeakPolarHBondContact CB-O 3.26Å; V297-P299 VanDerWaalsContact C-CD 3.5Å; V297-P299 WeakPolarHBondContact O-CD 3.44Å; P299-H301 PolarHBondContact O-N 2.98Å; P299-S302 VanDerWaalsContact O-CB 3.27Å; P299-S302 WeakPolarHBondContact O-CB 3.43Å; P299-S302 PolarHBondContact O-N 2.84Å; P299-S302 PolarHBondContact O-OG 2.94Å; P299-S302 VanDerWaalsContact O-OG 3.11Å
300	K	98.8	Very high	98	Very high	82 Å²	82	32.8 Å²	32.8	36%	0.357	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46	130.1	169.9	-178.4	172.4	172.8	-169.1	0	110.8	N240 L286 S302	N240-K300 PolarHBondContact OD1-NZ 3.29Å; L286-K300 WeakPolarHBondContact O-CA 3.44Å; L286-K300 VanDerWaalsContact O-CB 3.24Å; L286-K300 WeakPolarHBondContact O-CB 3.13Å; L286-K300 PolarHBondContact O-N 2.88Å; K300-S302 VanDerWaalsContact C-N 3.26Å; K300-S302 PolarHBondContact O-N 2.65Å
301	H	98.8	Very high	98.1	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.023	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	18.7	179.9	-51.5	173.5	0	0	0	115.5	N188 I189 Y190 N240 T282 G283 N284 P299 G303	N188-H301 CarbonylContact C-O 3.53Å; N188-H301 WeakPolarHBondContact CA-O 3.48Å; I189-H301 HydrophobicContact CG1-CB 4.32Å; I189-H301 VanDerWaalsContact CG1-O 3.32Å; I189-H301 WeakPolarHBondContact CG1-O 3.34Å; I189-H301 WeakPolarHBondContact CG2-O 3.44Å; I189-H301 PolarHBondContact N-O 2.77Å; Y190-H301 HydrophobicContact CE1-CB 4.12Å; Y190-H301 AromaticContact CE1-ND1 3.27Å; Y190-H301 VanDerWaalsContact CE1-ND1 3.27Å; Y190-H301 WeakPolarHBondContact CE1-ND1 3.38Å; Y190-H301 AromaticContact CZ-ND1 3.46Å; Y190-H301 PolarHBondContact OH-ND1 2.96Å; N240-H301 PolarHBondContact O-CE1 2.94Å; N240-H301 PolarHBondContact O-NE2 2.63Å; T282-H301 WeakPolarHBondContact O-CA 3.27Å; T282-H301 PolarHBondContact O-CD2 3.15Å; G283-H301 PolarHBondContact O-N 2.76Å; G283-H301 VanDerWaalsContact O-N 3.11Å; N284-H301 PolarHBondContact OD1-NE2 2.87Å; P299-H301 PolarHBondContact O-N 2.98Å; H301-G303 PolarHBondContact O-N 2.82Å
302	S	98.8	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-71.6	-9.7	173.5	72	0	0	0	0	114	L57 N180 Y298 P299 K300	L57-S302 WeakPolarHBondContact CD1-OG 3.28Å; N180-S302 PolarHBondContact ND2-O 2.77Å; Y298-S302 WeakPolarHBondContact CA-OG 2.99Å; Y298-S302 WeakPolarHBondContact CB-OG 3.4Å; P299-S302 VanDerWaalsContact O-CB 3.27Å; P299-S302 WeakPolarHBondContact O-CB 3.43Å; P299-S302 PolarHBondContact O-N 2.84Å; P299-S302 PolarHBondContact O-OG 2.94Å; P299-S302 VanDerWaalsContact O-OG 3.11Å; K300-S302 VanDerWaalsContact C-N 3.26Å; K300-S302 PolarHBondContact O-N 2.65Å
303	G	98.9	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.			trans	-160.9	161.8	175.7	0	0	0	0	0	112.6	F179 T282 G283 H301	F179-G303 CarbonylContact O-C 3.56Å; F179-G303 WeakPolarHBondContact O-CA 3.48Å; T282-G303 CarbonylContact C-O 3.5Å; G283-G303 WeakPolarHBondContact CA-O 3.12Å; G283-G303 PolarHBondContact N-O 3.36Å; H301-G303 PolarHBondContact O-N 2.82Å
304	F	98.9	Very high	98.3	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-124.2	153.8	176.3	63.4	-90	0	0	0	112.3	Y178 F179 I189 H192 V260 L269 F280 Y281 L306	Y178-F304 CarbonylContact C-O 3.58Å; Y178-F304 WeakPolarHBondContact CA-O 3.46Å; F179-F304 HydrophobicContact CB-CD1 4.46Å; F179-F304 HydrophobicContact CB-CD2 4.3Å; F179-F304 HydrophobicContact CB-CE1 3.92Å; F179-F304 HydrophobicContact CB-CE2 3.75Å; F179-F304 HydrophobicContact CB-CZ 3.53Å; F179-F304 HydrophobicContact CD2-CE2 4.18Å; F179-F304 HydrophobicContact CG-CE2 4.32Å; F179-F304 HydrophobicContact CG-CZ 4.45Å; F179-F304 PolarHBondContact N-O 3.25Å; F179-F304 VanDerWaalsContact O-CD1 3.24Å; F179-F304 WeakPolarHBondContact O-CD1 3.05Å; F179-F304 WeakPolarHBondContact O-CE1 3.36Å; F179-F304 PolarHBondContact O-N 3.22Å; I189-F304 HydrophobicContact CB-CD1 4.33Å; I189-F304 HydrophobicContact CD1-CB 3.8Å; I189-F304 HydrophobicContact CD1-CD1 4.22Å; I189-F304 HydrophobicContact CD1-CG 4.48Å; I189-F304 HydrophobicContact CG2-CD1 3.94Å; H192-F304 AromaticContact CD2-CE1 3.51Å; H192-F304 AromaticContact NE2-CE1 3.91Å; V260-F304 HydrophobicContact CB-CE2 4.4Å; V260-F304 HydrophobicContact CB-CZ 4.01Å; V260-F304 HydrophobicContact CG1-CE1 4.02Å; V260-F304 HydrophobicContact CG1-CE2 4.38Å; V260-F304 HydrophobicContact CG1-CZ 3.66Å; V260-F304 HydrophobicContact CG2-CE2 3.86Å; V260-F304 HydrophobicContact CG2-CZ 3.97Å; L269-F304 HydrophobicContact CD2-CE2 4.44Å; F280-F304 HydrophobicContact CE2-CB 3.97Å; F280-F304 HydrophobicContact CE2-CD2 4.2Å; F280-F304 HydrophobicContact CE2-CG 4.27Å; Y281-F304 CarbonylContact O-C 3.54Å; Y281-F304 WeakPolarHBondContact O-CA 3.26Å; F304-L306 HydrophobicContact CD2-CD1 4.47Å; F304-L306 HydrophobicContact CD2-CG 4.23Å; F304-L306 HydrophobicContact CE2-CD1 4.04Å; F304-L306 HydrophobicContact CE2-CG 4.28Å
305	C	98.9	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.1	173.1	-54.2	0	0	0	0	110.7	H176 Y178 Y281 E307	H176-C305 PolarHBondContact CE1-SG 3.25Å; H176-C305 PolarHBondContact ND1-SG 3.26Å; H176-C305 VanDerWaalsContact ND1-SG 3.41Å; Y178-C305 VanDerWaalsContact CG-SG 3.59Å; Y281-C305 HydrophobicContact CD1-CB 4.42Å; Y281-C305 PolarHBondContact N-O 3.21Å; Y281-C305 PolarHBondContact O-N 2.88Å; C305-E307 HydrophobicContact CB-CG 4.04Å
306	L	98.9	Very high	98.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	78.3	168.6	-71.5	170.2	0	0	0	107.9	I196 A258 V260 L269 V271 V278 Q279 F280 F304 T308	I196-L306 HydrophobicContact CD1-CD2 4.48Å; A258-L306 HydrophobicContact CB-CD1 4.1Å; A258-L306 HydrophobicContact CB-CD2 4.19Å; V260-L306 HydrophobicContact CG2-CD1 4.04Å; L269-L306 HydrophobicContact CD2-CD1 4.43Å; V271-L306 HydrophobicContact CG2-CD1 3.79Å; V278-L306 HydrophobicContact CG2-CB 4.05Å; V278-L306 HydrophobicContact CG2-CD2 3.97Å; Q279-L306 WeakPolarHBondContact O-CA 3.13Å; F280-L306 HydrophobicContact CB-CD2 4.35Å; F280-L306 HydrophobicContact CD2-CD2 3.7Å; F280-L306 HydrophobicContact CE2-CD2 4.42Å; F280-L306 HydrophobicContact CG-CD2 4.3Å; F304-L306 HydrophobicContact CD2-CD1 4.47Å; F304-L306 HydrophobicContact CD2-CG 4.23Å; F304-L306 HydrophobicContact CE2-CD1 4.04Å; F304-L306 HydrophobicContact CE2-CG 4.28Å; L306-T308 PolarHBondContact O-N 3.08Å
307	E	98.9	Very high	98.6	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.014	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	95.2	-176.2	-52.2	169.9	-108.1	0	0	108.7	H107 T174 H176 V278 Q279 C305 Q309	H107-E307 IonicContact CE1-OE2 3.9Å; T174-E307 HydrophobicContact CG2-CB 3.95Å; T174-E307 HydrophobicContact CG2-CG 4.44Å; T174-E307 WeakPolarHBondContact OG1-CA 3.25Å; T174-E307 WeakPolarHBondContact OG1-CB 3.34Å; H176-E307 VanDerWaalsContact CD2-CD 3.4Å; H176-E307 IonicContact CD2-OE1 3.5Å; H176-E307 IonicContact CD2-OE2 3.3Å; H176-E307 PolarHBondContact CD2-OE2 2.84Å; H176-E307 IonicContact CG-OE2 3.46Å; H176-E307 IonicContact NE2-OE1 2.65Å; H176-E307 IonicContact NE2-OE2 2.73Å; V278-E307 CarbonylContact C-O 3.54Å; V278-E307 WeakPolarHBondContact CA-O 3.41Å; Q279-E307 HydrophobicContact CB-CB 3.87Å; Q279-E307 HydrophobicContact CB-CG 4.35Å; Q279-E307 PolarHBondContact N-O 3.2Å; Q279-E307 PolarHBondContact O-N 3.07Å; C305-E307 HydrophobicContact CB-CG 4.04Å; E307-Q309 WeakPolarHBondContact O-CG 3.26Å; E307-Q309 PolarHBondContact O-N 3.01Å
308	T	98.9	Very high	98.4	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.6	173.8	53.7	0	0	0	0	109.4	T174 V271 T273 G277 V278 L306 T335	T174-T308 WeakPolarHBondContact CB-O 3.4Å; T174-T308 PolarHBondContact OG1-N 3.06Å; T174-T308 PolarHBondContact OG1-O 3.24Å; V271-T308 HydrophobicContact CG1-CG2 3.97Å; T273-T308 HydrophobicContact CG2-CG2 3.91Å; T273-T308 WeakPolarHBondContact OG1-CB 3.32Å; G277-T308 WeakPolarHBondContact O-CA 3.38Å; V278-T308 HydrophobicContact CG2-CG2 4.45Å; L306-T308 PolarHBondContact O-N 3.08Å; T308-T335 WeakPolarHBondContact CB-OG1 3.3Å; T308-T335 HydrophobicContact CG2-CG2 3.79Å; T308-T335 PolarHBondContact OG1-OG1 2.81Å
309	Q	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	169.8	-166.9	62.1	176	18.4	0	0	112.1	N245 P276 G277 E307	N245-Q309 PolarHBondContact OD1-NE2 2.79Å; P276-Q309 WeakPolarHBondContact CD-O 3.35Å; G277-Q309 CarbonylContact C-O 3.59Å; G277-Q309 WeakPolarHBondContact CA-O 3.31Å; G277-Q309 PolarHBondContact N-O 3.21Å; G277-Q309 PolarHBondContact O-N 3.49Å; G277-Q309 VanDerWaalsContact O-O 3.09Å; E307-Q309 WeakPolarHBondContact O-CG 3.26Å; E307-Q309 PolarHBondContact O-N 3.01Å
310	N	98.6	Very high	98.1	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.053	14%	0.14	C	C	.	.	S	Bend	trans	-74.8	160.3	154.5	-161.1	0.4	0	0	0	110.2	N172 Q275 P276 P321 P322	N172-N310 PolarHBondContact ND2-O 2.93Å; N172-N310 PolarHBondContact OD1-N 2.74Å; Q275-N310 VanDerWaalsContact NE2-N 3.16Å; P276-N310 HydrophobicContact CG-CB 4.26Å; P276-N310 WeakPolarHBondContact CG-OD1 3.39Å; N310-P321 PolarHBondContact ND2-O 2.9Å; N310-P321 WeakPolarHBondContact OD1-CB 3.46Å; N310-P322 PolarHBondContact ND2-O 2.64Å
311	W	98.4	Very high	98	Very high	39 Å²	39	24.8 Å²	24.8	15%	0.148	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-66	141.6	-171	-62.8	4.3	0	0	0	111.6	L202 C247 P276 A314 F320 P321	L202-W311 HydrophobicContact CD1-CB 3.89Å; L202-W311 HydrophobicContact CD1-CD2 4.19Å; L202-W311 HydrophobicContact CD1-CE3 4.11Å; L202-W311 HydrophobicContact CD1-CG 4.11Å; L202-W311 HydrophobicContact CD2-CE3 3.98Å; L202-W311 HydrophobicContact CD2-CZ3 4.21Å; C247-W311 HydrophobicContact CB-CH2 4.07Å; C247-W311 HydrophobicContact CB-CZ2 3.53Å; C247-W311 WeakPolarHBondContact SG-CZ2 3.36Å; P276-W311 PolarHBondContact O-NE1 2.82Å; W311-A314 WeakPolarHBondContact O-CB 3.31Å; W311-A314 PolarHBondContact O-N 3.38Å; W311-F320 HydrophobicContact CB-CD2 3.71Å; W311-F320 HydrophobicContact CB-CE2 4.21Å; W311-F320 HydrophobicContact CB-CG 4.31Å; W311-F320 HydrophobicContact CD2-CG 4.49Å; W311-F320 HydrophobicContact CE3-CB 4.07Å; W311-F320 AromaticContact CE3-CD1 3.58Å; W311-F320 HydrophobicContact CE3-CD1 3.58Å; W311-F320 AromaticContact CE3-CD2 3.96Å; W311-F320 HydrophobicContact CE3-CD2 3.96Å; W311-F320 AromaticContact CE3-CE1 3.94Å; W311-F320 HydrophobicContact CE3-CE1 3.94Å; W311-F320 HydrophobicContact CE3-CE2 4.29Å; W311-F320 AromaticContact CE3-CG 3.6Å; W311-F320 HydrophobicContact CE3-CG 3.6Å; W311-F320 HydrophobicContact CE3-CZ 4.29Å; W311-F320 AromaticContact CZ3-CD1 3.88Å; W311-F320 HydrophobicContact CZ3-CD1 3.88Å; W311-F320 HydrophobicContact CZ3-CE1 4.21Å; W311-F320 HydrophobicContact CZ3-CG 4.32Å; W311-P321 HydrophobicContact CD2-CG 4.04Å; W311-P321 HydrophobicContact CE3-CG 4.49Å; W311-P321 HydrophobicContact CG-CG 4.35Å; W311-P321 HydrophobicContact CZ2-CG 4.2Å
312	P	98.6	Very high	97.9	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.026	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	145.2	177	-25.8	35	0	0	0	112.2	N81 P210 N245 A314 F320	N81-P312 HydrophobicContact CB-CB 3.94Å; N81-P312 HydrophobicContact CB-CG 3.87Å; N81-P312 WeakPolarHBondContact OD1-CB 3.45Å; P210-P312 HydrophobicContact CG-CB 4Å; N245-P312 HydrophobicContact CB-CG 4.08Å; P312-A314 PolarHBondContact O-N 2.85Å; P312-F320 WeakPolarHBondContact O-CE2 3.46Å
313	D	98.7	Very high	97.9	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	16.5	-178.8	-157	45.3	0	0	0	115.6	R82 I83 A84 I209 V315 N316 Q317	R82-D313 WeakPolarHBondContact O-CA 3.19Å; R82-D313 PolarHBondContact O-N 3.16Å; I83-D313 WeakPolarHBondContact CA-OD1 3.22Å; A84-D313 WeakPolarHBondContact CB-OD2 3.44Å; A84-D313 PolarHBondContact N-OD1 3.16Å; I209-D313 HydrophobicContact CD1-CB 4.42Å; I209-D313 HydrophobicContact CG2-CB 4.46Å; D313-V315 PolarHBondContact O-N 3.29Å; D313-N316 PolarHBondContact O-N 3.12Å; D313-N316 PolarHBondContact OD1-ND2 2.92Å; D313-Q317 PolarHBondContact O-N 2.85Å
314	A	98.3	Very high	97.9	Very high	12 Å²	12	33.9 Å²	33.9	10%	0.099	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.3	179.5	0	0	0	0	0	114.2	W311 P312 N316 Q317 F320 V323	W311-A314 WeakPolarHBondContact O-CB 3.31Å; W311-A314 PolarHBondContact O-N 3.38Å; P312-A314 PolarHBondContact O-N 2.85Å; A314-N316 PolarHBondContact O-N 3.17Å; A314-Q317 PolarHBondContact O-N 3.39Å; A314-F320 HydrophobicContact CB-CB 3.81Å; A314-F320 HydrophobicContact CB-CD2 4.11Å; A314-F320 HydrophobicContact CB-CG 4.5Å; A314-V323 HydrophobicContact CB-CB 4.17Å; A314-V323 HydrophobicContact CB-CG1 4.35Å
315	V	98.4	Very high	97.9	Very high	27 Å²	27	34.2 Å²	34.2	16%	0.164	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.3	176	73.2	0	0	0	0	113	I83 F88 P170 D313 V323	I83-V315 HydrophobicContact CD1-CG1 4.33Å; I83-V315 HydrophobicContact CG1-CG1 4.18Å; I83-V315 HydrophobicContact CG2-CG1 4.11Å; F88-V315 HydrophobicContact CB-CB 4.23Å; F88-V315 HydrophobicContact CB-CG1 3.53Å; F88-V315 HydrophobicContact CB-CG2 3.69Å; F88-V315 HydrophobicContact CD2-CG2 3.61Å; F88-V315 HydrophobicContact CE2-CG2 4.49Å; F88-V315 HydrophobicContact CG-CG1 4.08Å; F88-V315 HydrophobicContact CG-CG2 3.81Å; P170-V315 HydrophobicContact CB-CB 4.41Å; P170-V315 HydrophobicContact CB-CG2 4.02Å; P170-V315 HydrophobicContact CG-CG2 4.22Å; D313-V315 PolarHBondContact O-N 3.29Å; V315-V323 HydrophobicContact CB-CG1 3.83Å; V315-V323 HydrophobicContact CG2-CG1 4.21Å
316	N	98.4	Very high	97.8	Very high	59 Å²	59	38.6 Å²	38.6	32%	0.316	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-6.9	179.3	-67.1	-43.2	0	0	0	113.1	T87 F88 D313 A314 P318	T87-N316 PolarHBondContact O-ND2 3.32Å; T87-N316 PolarHBondContact O-OD1 3.48Å; F88-N316 WeakPolarHBondContact CA-OD1 3.45Å; D313-N316 PolarHBondContact O-N 3.12Å; D313-N316 PolarHBondContact OD1-ND2 2.92Å; A314-N316 PolarHBondContact O-N 3.17Å; N316-P318 WeakPolarHBondContact O-CD 3.4Å
317	Q	97.5	Very high	97.8	Very high	44 Å²	44	42.1 Å²	42.1	21%	0.206	23%	0.23	C	C	.	.			trans	-112.8	91.6	-176.8	-67.2	-78.6	13.8	0	0	109.7	P210 D313 A314 H319 F320	P210-Q317 PolarHBondContact O-NE2 2.82Å; P210-Q317 VanDerWaalsContact O-NE2 3.1Å; D313-Q317 PolarHBondContact O-N 2.85Å; A314-Q317 PolarHBondContact O-N 3.39Å; Q317-H319 PolarHBondContact O-N 2.95Å; Q317-F320 HydrophobicContact CB-CB 4.18Å; Q317-F320 HydrophobicContact CB-CD1 3.89Å; Q317-F320 HydrophobicContact CB-CD2 3.55Å; Q317-F320 HydrophobicContact CB-CE1 4.13Å; Q317-F320 HydrophobicContact CB-CE2 3.81Å; Q317-F320 HydrophobicContact CB-CG 3.58Å; Q317-F320 HydrophobicContact CB-CZ 4.09Å; Q317-F320 HydrophobicContact CG-CD2 4.03Å; Q317-F320 HydrophobicContact CG-CE1 4.48Å; Q317-F320 HydrophobicContact CG-CE2 3.79Å; Q317-F320 HydrophobicContact CG-CG 4.48Å; Q317-F320 HydrophobicContact CG-CZ 4.03Å; Q317-F320 WeakPolarHBondContact O-CB 3.36Å; Q317-F320 PolarHBondContact O-N 2.8Å
318	P	94	Very high	97.8	Very high	112 Å²	112	46.2 Å²	46.2	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17	-169.4	25.7	-35.6	0	0	0	114.8	N316 F320	N316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-F320 VanDerWaalsContact C-N 3.34Å
319	H	93.6	Very high	97.8	Very high	143 Å²	143	51 Å²	51	66%	0.662	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.6	176	-57.5	-66.7	0	0	0	113.2	Q317	Q317-H319 PolarHBondContact O-N 2.95Å
320	F	96.9	Very high	97.8	Very high	14 Å²	14	55.4 Å²	55.4	6%	0.061	32%	0.316	C	S	.	.	S	Bend	trans	-83.2	162.6	177.6	-71.7	10.2	0	0	0	110.9	L202 P210 G212 W311 P312 A314 Q317 P318	L202-F320 HydrophobicContact CD1-CE2 3.81Å; L202-F320 HydrophobicContact CD1-CZ 3.95Å; L202-F320 HydrophobicContact CD2-CE1 4.29Å; L202-F320 HydrophobicContact CD2-CZ 3.94Å; P210-F320 HydrophobicContact CB-CE2 3.94Å; P210-F320 HydrophobicContact CB-CZ 3.85Å; P210-F320 HydrophobicContact CG-CE2 4.19Å; G212-F320 WeakPolarHBondContact O-CE1 3.5Å; G212-F320 WeakPolarHBondContact O-CZ 3.5Å; W311-F320 HydrophobicContact CB-CD2 3.71Å; W311-F320 HydrophobicContact CB-CE2 4.21Å; W311-F320 HydrophobicContact CB-CG 4.31Å; W311-F320 HydrophobicContact CD2-CG 4.49Å; W311-F320 HydrophobicContact CE3-CB 4.07Å; W311-F320 AromaticContact CE3-CD1 3.58Å; W311-F320 HydrophobicContact CE3-CD1 3.58Å; W311-F320 AromaticContact CE3-CD2 3.96Å; W311-F320 HydrophobicContact CE3-CD2 3.96Å; W311-F320 AromaticContact CE3-CE1 3.94Å; W311-F320 HydrophobicContact CE3-CE1 3.94Å; W311-F320 HydrophobicContact CE3-CE2 4.29Å; W311-F320 AromaticContact CE3-CG 3.6Å; W311-F320 HydrophobicContact CE3-CG 3.6Å; W311-F320 HydrophobicContact CE3-CZ 4.29Å; W311-F320 AromaticContact CZ3-CD1 3.88Å; W311-F320 HydrophobicContact CZ3-CD1 3.88Å; W311-F320 HydrophobicContact CZ3-CE1 4.21Å; W311-F320 HydrophobicContact CZ3-CG 4.32Å; P312-F320 WeakPolarHBondContact O-CE2 3.46Å; A314-F320 HydrophobicContact CB-CB 3.81Å; A314-F320 HydrophobicContact CB-CD2 4.11Å; A314-F320 HydrophobicContact CB-CG 4.5Å; Q317-F320 HydrophobicContact CB-CB 4.18Å; Q317-F320 HydrophobicContact CB-CD1 3.89Å; Q317-F320 HydrophobicContact CB-CD2 3.55Å; Q317-F320 HydrophobicContact CB-CE1 4.13Å; Q317-F320 HydrophobicContact CB-CE2 3.81Å; Q317-F320 HydrophobicContact CB-CG 3.58Å; Q317-F320 HydrophobicContact CB-CZ 4.09Å; Q317-F320 HydrophobicContact CG-CD2 4.03Å; Q317-F320 HydrophobicContact CG-CE1 4.48Å; Q317-F320 HydrophobicContact CG-CE2 3.79Å; Q317-F320 HydrophobicContact CG-CG 4.48Å; Q317-F320 HydrophobicContact CG-CZ 4.03Å; Q317-F320 WeakPolarHBondContact O-CB 3.36Å; Q317-F320 PolarHBondContact O-N 2.8Å; P318-F320 VanDerWaalsContact C-N 3.34Å
321	P	96.2	Very high	97.8	Very high	33 Å²	33	56 Å²	56	21%	0.214	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-58	139.7	178.2	-20.1	30.3	0	0	0	111.4	P276 N310 W311 V323	P276-P321 HydrophobicContact CB-CB 4.27Å; P276-P321 HydrophobicContact CB-CG 3.89Å; P276-P321 HydrophobicContact CG-CB 4.05Å; P276-P321 HydrophobicContact CG-CG 3.98Å; N310-P321 PolarHBondContact ND2-O 2.9Å; N310-P321 WeakPolarHBondContact OD1-CB 3.46Å; W311-P321 HydrophobicContact CD2-CG 4.04Å; W311-P321 HydrophobicContact CE3-CG 4.49Å; W311-P321 HydrophobicContact CG-CG 4.35Å; W311-P321 HydrophobicContact CZ2-CG 4.2Å; P321-V323 PolarHBondContact O-N 2.85Å
322	P	97.1	Very high	97.8	Very high	125 Å²	125	57.1 Å²	57.1	81%	0.812	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-55.7	132.3	-176	-26.1	33.7	0	0	0	113	N310	N310-P322 PolarHBondContact ND2-O 2.64Å
323	V	98.3	Very high	97.8	Very high	14 Å²	14	58.3 Å²	58.3	9%	0.085	33%	0.332	C	S	.	.			trans	-110.2	-11.7	-179.3	72.6	0	0	0	0	113.4	P170 V171 N172 A314 V315 P321	P170-V323 WeakPolarHBondContact CA-O 3.47Å; P170-V323 HydrophobicContact CB-CG1 3.97Å; P170-V323 HydrophobicContact CB-CG2 4.24Å; V171-V323 PolarHBondContact N-O 2.84Å; V171-V323 WeakPolarHBondContact O-CG2 3.27Å; N172-V323 HydrophobicContact CB-CG2 4.23Å; A314-V323 HydrophobicContact CB-CB 4.17Å; A314-V323 HydrophobicContact CB-CG1 4.35Å; V315-V323 HydrophobicContact CB-CG1 3.83Å; V315-V323 HydrophobicContact CG2-CG1 4.21Å; P321-V323 PolarHBondContact O-N 2.85Å
324	L	98.8	Very high	97.8	Very high	58 Å²	58	58.9 Å²	58.9	30%	0.304	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.4	-178.9	-64.6	-179.4	0	0	0	110.7	V90 P170	V90-L324 HydrophobicContact CG1-CD1 4.38Å; V90-L324 HydrophobicContact CG1-CD2 4.39Å; V90-L324 HydrophobicContact CG2-CD2 3.78Å; P170-L324 HydrophobicContact CB-CD2 4.17Å
325	L	98.8	Very high	97.8	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.9	165.6	178.5	64.8	0	0	0	108.5	L144 A163 A165 A168 T169 V171 E329	L144-L325 HydrophobicContact CD1-CD2 3.76Å; A163-L325 HydrophobicContact CB-CD2 4.24Å; A165-L325 HydrophobicContact CB-CD2 3.87Å; A165-L325 HydrophobicContact CB-CG 4.03Å; A168-L325 WeakPolarHBondContact CA-O 3.47Å; T169-L325 PolarHBondContact N-O 2.63Å; T169-L325 PolarHBondContact O-N 2.84Å; V171-L325 HydrophobicContact CB-CB 4.42Å; V171-L325 HydrophobicContact CG2-CB 3.81Å; V171-L325 HydrophobicContact CG2-CD2 3.98Å; L325-E329 HydrophobicContact CD1-CB 3.84Å
326	R	98.8	Very high	97.9	Very high	92 Å²	92	58.9 Å²	58.9	35%	0.347	33%	0.33	S	S	.	.			trans	-104.1	157.8	177.7	-62.5	-172.9	171.8	-81.1	-0.7	112.2	D91 A168 G328 E329	D91-R326 IonicContact OD1-CZ 3.55Å; D91-R326 IonicContact OD1-NH1 3.4Å; D91-R326 PolarHBondContact OD1-NH1 2.7Å; D91-R326 IonicContact OD1-NH2 2.69Å; D91-R326 PolarHBondContact OD1-NH2 2.86Å; D91-R326 IonicContact OD2-CZ 4Å; D91-R326 IonicContact OD2-NH1 3.64Å; D91-R326 PolarHBondContact OD2-NH1 2.86Å; D91-R326 IonicContact OD2-NH2 2.96Å; A168-R326 HydrophobicContact CB-CG 4.09Å; R326-G328 PolarHBondContact O-N 2.72Å; R326-E329 HydrophobicContact CB-CG 4.41Å; R326-E329 WeakPolarHBondContact CB-OE2 3.33Å; R326-E329 PolarHBondContact N-OE2 3.3Å; R326-E329 WeakPolarHBondContact O-CB 3.42Å; R326-E329 PolarHBondContact O-N 2.91Å; R326-E329 VanDerWaalsContact O-N 3.09Å
327	P	98.7	Very high	97.9	Very high	75 Å²	75	56.3 Å²	56.3	49%	0.487	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	134	173.8	-24.7	36	0	0	0	111.7	A165 S166 E329	A165-P327 WeakPolarHBondContact O-CA 3.39Å; S166-P327 WeakPolarHBondContact O-CG 3.49Å; P327-E329 VanDerWaalsContact C-N 3.32Å
328	G	98.3	Very high	98	Very high	90 Å²	90	58 Å²	58	93%	0.928	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-13.7	-175.7	0	0	0	0	0	114.4	R326	R326-G328 PolarHBondContact O-N 2.72Å
329	E	98.3	Very high	98.2	Very high	101 Å²	101	53.1 Å²	53.1	47%	0.472	29%	0.29	S	S	.	.			trans	-91.1	163.4	168.7	-58.6	174.6	157.5	0	0	110.8	L325 R326 P327	L325-E329 HydrophobicContact CD1-CB 3.84Å; R326-E329 HydrophobicContact CB-CG 4.41Å; R326-E329 WeakPolarHBondContact CB-OE2 3.33Å; R326-E329 PolarHBondContact N-OE2 3.3Å; R326-E329 WeakPolarHBondContact O-CB 3.42Å; R326-E329 PolarHBondContact O-N 2.91Å; R326-E329 VanDerWaalsContact O-N 3.09Å; P327-E329 VanDerWaalsContact C-N 3.32Å
330	E	98.4	Very high	98.4	Very high	93 Å²	93	48.4 Å²	48.4	44%	0.435	27%	0.274	S	S	.	.			trans	-124.8	129.5	172.3	-174.5	161.5	115.5	0	0	109.5	R162 Q164	R162-E330 IonicContact NE-OE1 3.78Å; Q164-E330 HydrophobicContact CG-CG 4.48Å; Q164-E330 PolarHBondContact NE2-OE2 3.01Å
331	Y	98.8	Very high	98.5	Very high	22 Å²	22	51.1 Å²	51.1	9%	0.086	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.3	164.1	-180	-81	0	0	0	107	R162 A163 V171 L173 Q275 H333	R162-Y331 CarbonylContact C-O 3.47Å; R162-Y331 WeakPolarHBondContact CA-O 3.22Å; A163-Y331 HydrophobicContact CB-CD1 4.5Å; A163-Y331 HydrophobicContact CB-CG 4.48Å; A163-Y331 PolarHBondContact N-O 2.86Å; A163-Y331 PolarHBondContact O-N 3.47Å; V171-Y331 HydrophobicContact CB-CD2 3.99Å; V171-Y331 HydrophobicContact CB-CE2 4.25Å; V171-Y331 HydrophobicContact CG1-CD1 4.47Å; V171-Y331 HydrophobicContact CG1-CD2 3.71Å; V171-Y331 HydrophobicContact CG1-CE2 3.83Å; V171-Y331 HydrophobicContact CG1-CG 4.05Å; L173-Y331 HydrophobicContact CB-CE1 4.31Å; L173-Y331 HydrophobicContact CD1-CE1 4.22Å; L173-Y331 HydrophobicContact CG-CE1 4.28Å; L173-Y331 PolarHBondContact N-OH 2.96Å; L173-Y331 VanDerWaalsContact N-OH 3.1Å; Q275-Y331 PolarHBondContact OE1-OH 3.23Å; Y331-H333 HydrophobicContact CE1-CB 3.99Å; Y331-H333 AromaticContact CE1-CD2 3.8Å; Y331-H333 AromaticContact CE2-CD2 3.63Å; Y331-H333 AromaticContact CZ-CD2 3.46Å; Y331-H333 VanDerWaalsContact CZ-CD2 3.46Å
332	D	98.8	Very high	98.4	Very high	63 Å²	63	53.9 Å²	53.9	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	105.9	175.2	-166.6	-5	0	0	0	109.2	N160 Y161 R162	N160-D332 PolarHBondContact ND2-OD1 3.33Å; Y161-D332 WeakPolarHBondContact O-CA 3.33Å; R162-D332 HydrophobicContact CG-CB 4.23Å; R162-D332 IonicContact CZ-OD2 3.55Å; R162-D332 IonicContact NE-OD1 2.82Å; R162-D332 IonicContact NE-OD2 3.59Å; R162-D332 PolarHBondContact NE-OD2 3.4Å; R162-D332 IonicContact NH2-OD2 2.64Å; R162-D332 PolarHBondContact NH2-OD2 3.01Å; R162-D332 VanDerWaalsContact NH2-OD2 3.09Å
333	H	98.8	Very high	98.5	Very high	30 Å²	30	50.4 Å²	50.4	14%	0.139	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.3	177.9	-81.3	-80.9	0	0	0	111.3	N160 Y161 T274 Q275 Y331	N160-H333 CarbonylContact C-O 3.3Å; N160-H333 WeakPolarHBondContact CA-O 3.49Å; N160-H333 PolarHBondContact ND2-O 2.97Å; Y161-H333 PolarHBondContact N-O 2.73Å; Y161-H333 PolarHBondContact O-N 2.9Å; T274-H333 PolarHBondContact O-CE1 2.73Å; T274-H333 PolarHBondContact O-ND1 3.3Å; T274-H333 VanDerWaalsContact OG1-CA 3.3Å; T274-H333 WeakPolarHBondContact OG1-CA 3.3Å; T274-H333 PolarHBondContact OG1-ND1 3.44Å; Q275-H333 HydrophobicContact CG-CB 4.33Å; Q275-H333 VanDerWaalsContact OE1-CG 3.26Å; Y331-H333 HydrophobicContact CE1-CB 3.99Å; Y331-H333 AromaticContact CE1-CD2 3.8Å; Y331-H333 AromaticContact CE2-CD2 3.63Å; Y331-H333 AromaticContact CZ-CD2 3.46Å; Y331-H333 VanDerWaalsContact CZ-CD2 3.46Å
334	T	98.9	Very high	98.5	Very high	21 Å²	21	52.3 Å²	52.3	13%	0.129	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.2	-176.9	-53.4	0	0	0	0	110.8	V158 V159 N160 T273 T274 W336	V158-T334 HydrophobicContact CG1-CG2 3.48Å; V158-T334 VanDerWaalsContact CG1-CG2 3.48Å; V159-T334 CarbonylContact O-C 3.52Å; V159-T334 WeakPolarHBondContact O-CA 3.24Å; N160-T334 HydrophobicContact CB-CG2 4.42Å; N160-T334 PolarHBondContact ND2-OG1 2.79Å; T273-T334 CarbonylContact C-O 3.52Å; T273-T334 VanDerWaalsContact CA-O 3.26Å; T273-T334 WeakPolarHBondContact CA-O 3.27Å; T273-T334 PolarHBondContact OG1-O 2.95Å; T274-T334 PolarHBondContact N-O 2.5Å; T274-T334 PolarHBondContact OG1-N 2.74Å; T334-W336 VanDerWaalsContact CB-CH2 3.49Å; T334-W336 HydrophobicContact CG2-CD2 4Å; T334-W336 HydrophobicContact CG2-CE3 4.08Å; T334-W336 HydrophobicContact CG2-CH2 3.52Å; T334-W336 HydrophobicContact CG2-CZ2 3.4Å; T334-W336 VanDerWaalsContact CG2-CZ2 3.4Å; T334-W336 HydrophobicContact CG2-CZ3 3.86Å; T334-W336 VanDerWaalsContact O-CZ3 3.27Å; T334-W336 WeakPolarHBondContact O-CZ3 3.28Å
335	T	98.9	Very high	98.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136	173	-68.1	0	0	0	0	110	V159 V271 Y272 T273 T308 F337	V159-T335 PolarHBondContact N-O 3.33Å; V159-T335 PolarHBondContact O-N 2.8Å; V271-T335 HydrophobicContact CG1-CG2 3.92Å; Y272-T335 CarbonylContact O-C 3.42Å; Y272-T335 WeakPolarHBondContact O-CA 3.49Å; T273-T335 PolarHBondContact OG1-OG1 3.1Å; T308-T335 WeakPolarHBondContact CB-OG1 3.3Å; T308-T335 HydrophobicContact CG2-CG2 3.79Å; T308-T335 PolarHBondContact OG1-OG1 2.81Å; T335-F337 HydrophobicContact CG2-CD2 4.21Å; T335-F337 HydrophobicContact CG2-CE1 4.16Å; T335-F337 HydrophobicContact CG2-CE2 3.66Å; T335-F337 HydrophobicContact CG2-CZ 3.63Å
336	W	98.9	Very high	98.4	Very high	40 Å²	40	54.5 Å²	54.5	15%	0.152	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.2	179	-60.8	-104.6	0	0	0	108.6	E156 V158 K254 V271 Y272 T274 T334	E156-W336 HydrophobicContact CG-CB 4.23Å; V158-W336 HydrophobicContact CG1-CG 4.33Å; V158-W336 VanDerWaalsContact CG2-CD1 3.41Å; V158-W336 HydrophobicContact CG2-CG 4.3Å; K254-W336 HydrophobicContact CB-CH2 3.77Å; K254-W336 HydrophobicContact CB-CZ2 4.43Å; K254-W336 HydrophobicContact CB-CZ3 3.86Å; K254-W336 HydrophobicContact CD-CD2 3.86Å; K254-W336 HydrophobicContact CD-CE3 3.94Å; K254-W336 HydrophobicContact CD-CH2 4Å; K254-W336 HydrophobicContact CD-CZ2 3.92Å; K254-W336 HydrophobicContact CD-CZ3 4.01Å; K254-W336 HydrophobicContact CG-CD2 4.31Å; K254-W336 HydrophobicContact CG-CE3 3.85Å; K254-W336 HydrophobicContact CG-CH2 3.9Å; K254-W336 HydrophobicContact CG-CZ2 4.35Å; K254-W336 HydrophobicContact CG-CZ3 3.63Å; K254-W336 VanDerWaalsContact NZ-CD1 3.34Å; V271-W336 WeakPolarHBondContact CA-O 3.23Å; Y272-W336 PolarHBondContact N-O 2.64Å; Y272-W336 PolarHBondContact O-N 2.83Å; T274-W336 HydrophobicContact CG2-CH2 3.92Å; T274-W336 HydrophobicContact CG2-CZ3 3.96Å; T334-W336 VanDerWaalsContact CB-CH2 3.49Å; T334-W336 HydrophobicContact CG2-CD2 4Å; T334-W336 HydrophobicContact CG2-CE3 4.08Å; T334-W336 HydrophobicContact CG2-CH2 3.52Å; T334-W336 HydrophobicContact CG2-CZ2 3.4Å; T334-W336 VanDerWaalsContact CG2-CZ2 3.4Å; T334-W336 HydrophobicContact CG2-CZ3 3.86Å; T334-W336 VanDerWaalsContact O-CZ3 3.27Å; T334-W336 WeakPolarHBondContact O-CZ3 3.28Å
337	F	98.9	Very high	98.4	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.022	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	98.7	170.3	-59.7	-83.1	0	0	0	108.2	L157 V159 F179 L269 V271 T335 F339	L157-F337 HydrophobicContact CB-CB 4.34Å; L157-F337 PolarHBondContact N-O 2.98Å; L157-F337 PolarHBondContact O-N 3.27Å; V159-F337 HydrophobicContact CG2-CD2 4.06Å; V159-F337 HydrophobicContact CG2-CE2 3.78Å; F179-F337 HydrophobicContact CE2-CE1 4.15Å; F179-F337 AromaticContact CZ-CD1 3.97Å; F179-F337 HydrophobicContact CZ-CD1 3.97Å; F179-F337 AromaticContact CZ-CE1 3.89Å; F179-F337 HydrophobicContact CZ-CE1 3.89Å; L269-F337 HydrophobicContact CD1-CB 4.09Å; L269-F337 HydrophobicContact CD1-CD1 4.24Å; V271-F337 HydrophobicContact CG2-CD1 4.06Å; V271-F337 HydrophobicContact CG2-CE1 4.36Å; T335-F337 HydrophobicContact CG2-CD2 4.21Å; T335-F337 HydrophobicContact CG2-CE1 4.16Å; T335-F337 HydrophobicContact CG2-CE2 3.66Å; T335-F337 HydrophobicContact CG2-CZ 3.63Å; F337-F339 HydrophobicContact CB-CE2 3.99Å
338	K	98.9	Very high	98.4	Very high	78 Å²	78	50.7 Å²	50.7	34%	0.339	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.5	-176.7	-174.2	-177.2	174.4	-162.2	0	110	E156 E270 Y272	E156-K338 HydrophobicContact CB-CG 4.5Å; E156-K338 HydrophobicContact CG-CB 4.15Å; E156-K338 HydrophobicContact CG-CG 4.45Å; E270-K338 HydrophobicContact CB-CB 4.32Å; E270-K338 PolarHBondContact N-O 3.1Å; E270-K338 PolarHBondContact O-N 3.11Å; E270-K338 IonicContact OE2-NZ 3.2Å; Y272-K338 HydrophobicContact CE2-CD 4.32Å
339	F	98.9	Very high	98.4	Very high	11 Å²	11	47.9 Å²	47.9	5%	0.048	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.1	177.1	-66.9	-87.4	0	0	0	111	L29 L43 V45 V55 G155 F179 L181 V268 L269 F337	L29-F339 HydrophobicContact CD1-CB 4.27Å; L29-F339 HydrophobicContact CD1-CD2 3.77Å; L29-F339 HydrophobicContact CD1-CG 4.37Å; L29-F339 HydrophobicContact CD2-CB 4.04Å; L29-F339 HydrophobicContact CD2-CD2 4.34Å; L29-F339 HydrophobicContact CD2-CG 4.26Å; L43-F339 HydrophobicContact CD1-CE2 3.79Å; L43-F339 HydrophobicContact CD1-CZ 3.83Å; L43-F339 HydrophobicContact CD2-CD2 4.21Å; L43-F339 HydrophobicContact CD2-CE1 4.21Å; L43-F339 HydrophobicContact CD2-CE2 3.67Å; L43-F339 HydrophobicContact CD2-CZ 3.65Å; L43-F339 HydrophobicContact CG-CE2 4.39Å; L43-F339 HydrophobicContact CG-CZ 4.43Å; V45-F339 HydrophobicContact CB-CD1 4.43Å; V45-F339 HydrophobicContact CG1-CB 4.02Å; V45-F339 HydrophobicContact CG1-CD1 3.95Å; V45-F339 HydrophobicContact CG1-CG 4.24Å; V45-F339 HydrophobicContact CG2-CD1 3.61Å; V45-F339 HydrophobicContact CG2-CE1 3.83Å; V45-F339 HydrophobicContact CG2-CG 3.98Å; V45-F339 HydrophobicContact CG2-CZ 4.39Å; V55-F339 HydrophobicContact CG2-CE1 4.09Å; V55-F339 HydrophobicContact CG2-CZ 4.45Å; G155-F339 PolarHBondContact O-N 3.49Å; F179-F339 HydrophobicContact CD1-CZ 4.44Å; F179-F339 HydrophobicContact CE1-CZ 4.14Å; L181-F339 HydrophobicContact CD2-CE1 4.17Å; V268-F339 WeakPolarHBondContact O-CA 3.29Å; L269-F339 HydrophobicContact CB-CD1 4.37Å; L269-F339 HydrophobicContact CB-CE1 4.13Å; L269-F339 HydrophobicContact CD1-CD1 4.31Å; L269-F339 HydrophobicContact CD1-CE1 3.9Å; L269-F339 HydrophobicContact CD1-CE2 4.1Å; L269-F339 HydrophobicContact CD1-CZ 3.79Å; L269-F339 HydrophobicContact CG-CE1 4.4Å; F337-F339 HydrophobicContact CB-CE2 3.99Å
340	S	98.8	Very high	98.4	Very high	44 Å²	44	43.8 Å²	43.8	31%	0.308	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	-178.4	175.4	61.9	0	0	0	0	110.8	V268	V268-S340 PolarHBondContact N-O 2.79Å; V268-S340 PolarHBondContact O-N 3.15Å
341	V	98.3	Very high	98.4	Very high	71 Å²	71	39.7 Å²	39.7	43%	0.43	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.2	176.8	-177.7	0	0	0	0	108.1	R48 G266	R48-V341 HydrophobicContact CB-CG1 4.16Å; R48-V341 HydrophobicContact CG-CG1 3.4Å; G266-V341 CarbonylContact O-C 3.52Å; G266-V341 VanDerWaalsContact O-CA 3.24Å; G266-V341 WeakPolarHBondContact O-CA 3.3Å
342	A	94.1	Very high	98.4	Very high	91 Å²	91	41.3 Å²	41.3	75%	0.752	24%	0.241	S	C	*	.			trans	-117.2	0	177.6	0	0	0	0	0	111.6	R48 G266 V268	R48-A342 PolarHBondContact NE-O 3.18Å; R48-A342 PolarHBondContact NH2-O 2.64Å; G266-A342 PolarHBondContact O-N 2.65Å; V268-A342 HydrophobicContact CG2-CB 3.58Å

Retrieved 342 of 342 residues in 127.6 ms (Link to these results)

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