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Riboflavin kinase

Catalyzes the phosphorylation of riboflavin (vitamin B2) to form flavin-mononucleotide (FMN), hence rate-limiting enzyme in the synthesis of FAD. Essential for TNF-induced reactive oxygen species (ROS) production. Through its interaction with both TNFRSF1A and CYBA, physically and functionally couples TNFRSF1A to NADPH oxidase. TNF-activation of RFK may enhance the incorporation of FAD in NADPH oxidase, a critical step for the assembly and activation of NADPH oxidase.

AlphaFold DB , UniProt , Accession A0A060YLB4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rfk, Length 162 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	65.9	Low	92.8	Very high	92 Å²	92	68.5 Å²	68.5	45%	0.453	33%	0.331	S	S	.	.				0	115.1	0	-101.1	170.2	-89.7	0	0	108.3	L4 D41 Y47 Y102	M1-L4 HydrophobicContact CB-CD1 4.06Å; M1-L4 HydrophobicContact CB-CG 4.16Å; M1-L4 HydrophobicContact SD-CD1 4.07Å; M1-L4 HydrophobicContact SD-CG 4.43Å; M1-D41 WeakPolarHBondContact CG-O 3.41Å; M1-Y47 HydrophobicContact CE-CE1 3.71Å; M1-Y47 WeakPolarHBondContact CE-OH 3.39Å; M1-Y47 HydrophobicContact SD-CE1 3.41Å; M1-Y47 WeakPolarHBondContact SD-CE1 3.34Å; M1-Y47 PolarHBondContact SD-OH 3.35Å; M1-Y102 HydrophobicContact CE-CD1 4.49Å; M1-Y102 HydrophobicContact CE-CD2 3.75Å; M1-Y102 HydrophobicContact CE-CE2 4.36Å; M1-Y102 HydrophobicContact CE-CG 3.76Å
2	K	83.7	Confident	93.2	Very high	205 Å²	205	63.1 Å²	63.1	89%	0.891	31%	0.306	S	S	*	.			trans	-87.3	-19.7	178.9	-68.7	-177.4	179.3	-179.9	0	111.5	L4 D41	K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.43Å; K2-D41 PolarHBondContact N-OD2 2.57Å
3	S	93.1	Very high	93.4	Very high	41 Å²	41	61.8 Å²	61.8	29%	0.287	30%	0.304	S	S	.	.	S	Bend	trans	-86.5	13.2	-176	-56.5	0	0	0	0	115	P5 Y6 P39 D41	S3-P5 CarbonylContact O-C 3.56Å; S3-Y6 WeakPolarHBondContact O-CB 3.47Å; S3-P39 WeakPolarHBondContact OG-CB 3.45Å; S3-D41 VanDerWaalsContact CB-OD1 3.28Å; S3-D41 WeakPolarHBondContact CB-OD1 3.38Å; S3-D41 PolarHBondContact N-OD2 3.28Å; S3-D41 VanDerWaalsContact OG-CG 3.26Å; S3-D41 PolarHBondContact OG-OD1 3.28Å; S3-D41 PolarHBondContact OG-OD2 3.1Å
4	L	95.9	Very high	93.2	Very high	42 Å²	42	70.3 Å²	70.3	22%	0.22	33%	0.331	C	S	.	.			trans	-99.8	142	172.4	-64.8	178.6	0	0	0	110.4	M1 K2 M99	M1-L4 HydrophobicContact CB-CD1 4.06Å; M1-L4 HydrophobicContact CB-CG 4.16Å; M1-L4 HydrophobicContact SD-CD1 4.07Å; M1-L4 HydrophobicContact SD-CG 4.43Å; K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.43Å; L4-M99 HydrophobicContact CD2-CB 4.33Å; L4-M99 HydrophobicContact CD2-CE 3.75Å; L4-M99 HydrophobicContact CD2-CG 3.93Å; L4-M99 WeakPolarHBondContact CD2-O 3.44Å
5	P	97.4	Very high	92.6	Very high	59 Å²	59	67.5 Å²	67.5	38%	0.383	33%	0.329	S	S	.	.	S	Bend	cis	-70.8	138.9	-2.2	28.3	-33.5	0	0	0	112.6	S3 F7 V98 M99 L138	S3-P5 CarbonylContact O-C 3.56Å; P5-F7 HydrophobicContact CB-CE2 4.03Å; P5-F7 HydrophobicContact CG-CE2 3.91Å; P5-F7 HydrophobicContact CG-CZ 4.38Å; P5-V98 HydrophobicContact CB-CG1 4.05Å; P5-M99 CarbonylContact C-O 3.53Å; P5-M99 WeakPolarHBondContact CA-O 3.15Å; P5-L138 HydrophobicContact CB-CD1 4.08Å; P5-L138 HydrophobicContact CG-CD1 4.34Å; P5-L138 HydrophobicContact CG-CD2 4.23Å
6	Y	97.9	Very high	91.4	Very high	35 Å²	35	70.3 Å²	70.3	14%	0.137	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.8	179.2	-178.8	-106.6	0	0	0	110.6	S3 H37 L38 P39 I42 V98 M99	S3-Y6 WeakPolarHBondContact O-CB 3.47Å; Y6-H37 PolarHBondContact OH-O 3.35Å; Y6-L38 HydrophobicContact CD1-CD2 4.1Å; Y6-L38 HydrophobicContact CE1-CD2 3.57Å; Y6-P39 HydrophobicContact CD2-CG 3.9Å; Y6-P39 HydrophobicContact CE2-CG 3.7Å; Y6-I42 HydrophobicContact CD1-CD1 4.18Å; Y6-I42 HydrophobicContact CD2-CD1 4.06Å; Y6-I42 HydrophobicContact CG-CD1 3.81Å; Y6-V98 CarbonylContact O-C 3.58Å; Y6-V98 WeakPolarHBondContact O-CA 3.38Å; Y6-M99 HydrophobicContact CD1-CE 4.1Å; Y6-M99 HydrophobicContact CG-CE 4.35Å; Y6-M99 PolarHBondContact N-O 3.15Å; Y6-M99 PolarHBondContact O-N 2.98Å
7	F	97.7	Very high	89.6	Confident	70 Å²	70	70.4 Å²	70.4	31%	0.307	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.9	-175.8	-63.7	-106.7	0	0	0	109.2	P5 V98 D141 F143	P5-F7 HydrophobicContact CB-CE2 4.03Å; P5-F7 HydrophobicContact CG-CE2 3.91Å; P5-F7 HydrophobicContact CG-CZ 4.38Å; F7-V98 HydrophobicContact CD1-CB 4.37Å; F7-V98 HydrophobicContact CD1-CG1 4.2Å; F7-V98 HydrophobicContact CD1-CG2 3.41Å; F7-V98 VanDerWaalsContact CD1-CG2 3.41Å; F7-V98 HydrophobicContact CE1-CB 4.34Å; F7-V98 HydrophobicContact CE1-CG1 3.85Å; F7-V98 HydrophobicContact CE1-CG2 3.49Å; F7-V98 VanDerWaalsContact CE1-CG2 3.49Å; F7-V98 HydrophobicContact CE2-CG1 4.36Å; F7-V98 HydrophobicContact CG-CG2 4.27Å; F7-V98 HydrophobicContact CZ-CG1 3.94Å; F7-V98 HydrophobicContact CZ-CG2 4.4Å; F7-D141 HydrophobicContact CE1-CB 4.35Å; F7-F143 HydrophobicContact CB-CD2 4.19Å; F7-F143 HydrophobicContact CB-CE2 4.02Å; F7-F143 HydrophobicContact CB-CZ 4.21Å; F7-F143 HydrophobicContact CD1-CB 3.73Å; F7-F143 AromaticContact CD1-CD1 3.75Å; F7-F143 HydrophobicContact CD1-CD1 3.75Å; F7-F143 AromaticContact CD1-CD2 3.9Å; F7-F143 HydrophobicContact CD1-CD2 3.9Å; F7-F143 HydrophobicContact CD1-CE1 4.29Å; F7-F143 HydrophobicContact CD1-CE2 4.45Å; F7-F143 AromaticContact CD1-CG 3.51Å; F7-F143 HydrophobicContact CD1-CG 3.51Å; F7-F143 HydrophobicContact CE1-CB 3.94Å; F7-F143 HydrophobicContact CE1-CD1 4.46Å; F7-F143 HydrophobicContact CE1-CG 4.21Å; F7-F143 HydrophobicContact CG-CG 4.49Å
8	S	97.3	Very high	88.2	Confident	10 Å²	10	76.1 Å²	76.1	7%	0.07	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149	179.9	-171.8	0	0	0	0	112.3	V34 V97 F143	S8-V34 WeakPolarHBondContact OG-CG1 3.28Å; S8-V97 PolarHBondContact N-O 3.23Å; S8-V97 WeakPolarHBondContact O-CG2 3.29Å; S8-V97 PolarHBondContact O-N 3.28Å; S8-F143 WeakPolarHBondContact O-CZ 3.35Å
9	R	97.4	Very high	86.9	Confident	86 Å²	86	73.4 Å²	73.4	33%	0.325	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.5	-179.9	-177.7	178.7	-73.3	160.8	11.4	109.8	V34 I94 L95 S96 F143	R9-V34 WeakPolarHBondContact O-CG2 3.39Å; R9-I94 HydrophobicContact CG-CG2 3.28Å; R9-L95 WeakPolarHBondContact CA-O 3.49Å; R9-S96 PolarHBondContact NE-OG 3Å; R9-F143 HydrophobicContact CB-CZ 4.28Å; R9-F143 PolarHBondContact NH2-O 2.66Å
10	G	97.1	Very high	86.1	Confident	8 Å²	8	71.3 Å²	71.3	8%	0.082	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	162.1	177.2	0	0	0	0	0	112.4	L95	G10-L95 PolarHBondContact N-O 3.24Å; G10-L95 VanDerWaalsContact N-O 3.1Å; G10-L95 PolarHBondContact O-N 2.89Å
11	E	97.9	Very high	85.6	Confident	105 Å²	105	73.7 Å²	73.7	49%	0.491	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.8	173.5	-170.5	179	157.8	0	0	110.7	V13 P31 G92 Q93 I94	E11-V13 PolarHBondContact O-N 3.24Å; E11-P31 WeakPolarHBondContact O-CD 3.45Å; E11-G92 WeakPolarHBondContact OE1-CA 3.29Å; E11-Q93 WeakPolarHBondContact CA-O 3.36Å; E11-I94 HydrophobicContact CB-CD1 4.37Å
12	V	97.3	Very high	86.1	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.024	39%	0.39	C	S	.	.			trans	-75	113.1	176.1	176.4	0	0	0	0	109.2	A28 F90 Y91 G92 Q93 L95	V12-A28 HydrophobicContact CG1-CB 3.81Å; V12-A28 HydrophobicContact CG2-CB 4.31Å; V12-F90 HydrophobicContact CB-CD2 4.24Å; V12-F90 HydrophobicContact CG1-CD2 4.07Å; V12-F90 HydrophobicContact CG1-CE2 4.1Å; V12-F90 HydrophobicContact CG2-CD2 3.73Å; V12-F90 HydrophobicContact CG2-CE2 3.87Å; V12-Y91 HydrophobicContact CG1-CD1 4Å; V12-Y91 HydrophobicContact CG1-CE1 4.42Å; V12-G92 PolarHBondContact O-N 2.8Å; V12-Q93 WeakPolarHBondContact CG2-O 3.15Å; V12-Q93 PolarHBondContact N-O 2.77Å; V12-L95 HydrophobicContact CG2-CB 3.5Å; V12-L95 VanDerWaalsContact CG2-CB 3.5Å; V12-L95 HydrophobicContact CG2-CD2 4.34Å
13	V	95.3	Very high	85.8	Confident	46 Å²	46	70.2 Å²	70.2	28%	0.279	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-102.7	161	178.9	-59.5	0	0	0	0	111.6	E11 N29 P31	E11-V13 PolarHBondContact O-N 3.24Å; V13-N29 HydrophobicContact CG2-CB 3.95Å; V13-N29 WeakPolarHBondContact CG2-O 3.39Å; V13-N29 PolarHBondContact N-O 2.91Å; V13-P31 HydrophobicContact CG1-CB 4.25Å
14	R	91.1	Very high	85.3	Confident	181 Å²	181	71 Å²	71	68%	0.683	37%	0.374	S	S	*	.			trans	-73.5	130.7	172.6	-66.8	-179.4	-175.8	-84.8	-1	109.4	Y91	R14-Y91 HydrophobicContact CB-CE1 4.21Å; R14-Y91 HydrophobicContact CG-CD1 3.7Å; R14-Y91 HydrophobicContact CG-CE1 3.54Å; R14-Y91 HydrophobicContact CG-CE2 4.47Å; R14-Y91 HydrophobicContact CG-CG 4.26Å
15	G	83.8	Confident	84.9	Confident	29 Å²	29	69.6 Å²	69.6	30%	0.299	37%	0.366	S	S	.	.			trans	-80.8	-169.2	168.5	0	0	0	0	0	112.3	G17	G15-G17 VanDerWaalsContact C-N 3.27Å; G15-G17 PolarHBondContact O-N 2.79Å
16	F	73.4	Confident	84.7	Confident	112 Å²	112	69.9 Å²	69.9	49%	0.491	37%	0.368	S	S	.	.			trans	-89	26.6	-176.2	-59.6	-87.5	0	0	0	114.3	N68 Y70 Y71	F16-N68 VanDerWaalsContact CE2-ND2 3.29Å; F16-N68 WeakPolarHBondContact CE2-ND2 3.16Å; F16-Y70 HydrophobicContact CB-CD2 3.99Å; F16-Y70 HydrophobicContact CB-CE2 3.32Å; F16-Y70 AromaticContact CD1-CD2 3.76Å; F16-Y70 HydrophobicContact CD1-CD2 3.76Å; F16-Y70 AromaticContact CD1-CE2 3.86Å; F16-Y70 HydrophobicContact CD1-CE2 3.86Å; F16-Y70 HydrophobicContact CD1-CG 4.19Å; F16-Y70 AromaticContact CD2-CD2 3.77Å; F16-Y70 HydrophobicContact CD2-CD2 3.77Å; F16-Y70 AromaticContact CD2-CE2 3.98Å; F16-Y70 HydrophobicContact CD2-CE2 3.98Å; F16-Y70 HydrophobicContact CE1-CD2 4.17Å; F16-Y70 HydrophobicContact CE1-CG 4.32Å; F16-Y70 HydrophobicContact CE2-CD2 4.2Å; F16-Y70 AromaticContact CG-CD2 3.55Å; F16-Y70 HydrophobicContact CG-CD2 3.55Å; F16-Y70 AromaticContact CG-CE2 3.44Å; F16-Y70 HydrophobicContact CG-CE2 3.44Å; F16-Y70 VanDerWaalsContact CG-CE2 3.44Å; F16-Y70 HydrophobicContact CG-CG 4.41Å; F16-Y70 HydrophobicContact CZ-CD2 4.38Å; F16-Y71 HydrophobicContact CZ-CE2 4.33Å
17	G	61.4	Low	84.4	Confident	71 Å²	71	69.8 Å²	69.8	73%	0.732	37%	0.371	S	S	*	.			trans	72.2	37.6	165.5	0	0	0	0	0	117.2	G15 G19	G15-G17 VanDerWaalsContact C-N 3.27Å; G15-G17 PolarHBondContact O-N 2.79Å; G17-G19 PolarHBondContact O-N 3.2Å
18	R	63.6	Low	84.3	Confident	174 Å²	174	66.7 Å²	66.7	66%	0.657	36%	0.358	S	S	*	.			trans	-74.3	19	178.5	-70.9	-171.8	173.7	179.9	-0.8	115.9	S20	R18-S20 PolarHBondContact O-N 3.08Å; R18-S20 VanDerWaalsContact O-N 3.1Å
19	G	64	Low	84.3	Confident	24 Å²	24	67.2 Å²	67.2	25%	0.247	36%	0.361	C	S	.	.			trans	65.2	13.9	173.5	0	0	0	0	0	116	G17 K21 E22 L23	G17-G19 PolarHBondContact O-N 3.2Å; G19-K21 PolarHBondContact O-N 3.37Å; G19-E22 WeakPolarHBondContact O-CA 3.42Å; G19-E22 WeakPolarHBondContact O-CB 3.42Å; G19-E22 PolarHBondContact O-N 3.17Å; G19-L23 PolarHBondContact O-N 2.74Å
20	S	71.1	Confident	84.2	Confident	31 Å²	31	63.6 Å²	63.6	22%	0.217	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.6	-178.2	62.2	0	0	0	0	113.3	R18 L23 G24 I25 T27	R18-S20 PolarHBondContact O-N 3.08Å; R18-S20 VanDerWaalsContact O-N 3.1Å; S20-L23 PolarHBondContact O-N 3.05Å; S20-G24 PolarHBondContact O-N 2.81Å; S20-I25 CarbonylContact C-O 3.52Å; S20-I25 VanDerWaalsContact CB-O 3.28Å; S20-I25 WeakPolarHBondContact CB-O 3.29Å; S20-I25 CarbonylContact O-C 3.5Å; S20-I25 PolarHBondContact O-N 3.35Å; S20-T27 PolarHBondContact OG-N 3.24Å; S20-T27 PolarHBondContact OG-OG1 2.86Å
21	K	74.4	Confident	84.2	Confident	123 Å²	123	64.6 Å²	64.6	54%	0.535	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-38.9	170.9	-166.7	172.7	-176.3	169.9	0	113.1	G19 L23 G24 D89	G19-K21 PolarHBondContact O-N 3.37Å; K21-L23 PolarHBondContact O-N 3.08Å; K21-G24 PolarHBondContact O-N 2.85Å; K21-G24 VanDerWaalsContact O-N 3.14Å; K21-D89 IonicContact NZ-OD1 2.62Å; K21-D89 PolarHBondContact NZ-OD1 3.27Å; K21-D89 IonicContact NZ-OD2 2.71Å; K21-D89 PolarHBondContact NZ-OD2 2.8Å
22	E	76.8	Confident	83.9	Confident	178 Å²	178	61.9 Å²	61.9	83%	0.832	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.2	176.2	-61.3	173	-163.7	0	0	111.7	G19 G24	G19-E22 WeakPolarHBondContact O-CA 3.42Å; G19-E22 WeakPolarHBondContact O-CB 3.42Å; G19-E22 PolarHBondContact O-N 3.17Å; E22-G24 PolarHBondContact O-N 2.95Å
23	L	78	Confident	83.8	Confident	46 Å²	46	65.1 Å²	65.1	24%	0.241	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.4	173.3	-49.3	-176.1	0	0	0	113.3	G19 S20 K21 I25 L112 L115 I116	G19-L23 PolarHBondContact O-N 2.74Å; S20-L23 PolarHBondContact O-N 3.05Å; K21-L23 PolarHBondContact O-N 3.08Å; L23-I25 PolarHBondContact O-N 3.05Å; L23-L112 HydrophobicContact CD1-CD1 3.76Å; L23-L112 HydrophobicContact CD2-CD1 3.6Å; L23-L112 HydrophobicContact CD2-CD2 3.71Å; L23-L112 HydrophobicContact CD2-CG 3.97Å; L23-L112 HydrophobicContact CG-CD1 4.34Å; L23-L115 HydrophobicContact CD1-CD2 4.46Å; L23-I116 HydrophobicContact CB-CG1 4.47Å; L23-I116 HydrophobicContact CD2-CD1 4.31Å
24	G	83.4	Confident	83.9	Confident	58 Å²	58	63.8 Å²	63.8	60%	0.598	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	10	-175.5	0	0	0	0	0	114.4	S20 K21 E22 P26	S20-G24 PolarHBondContact O-N 2.81Å; K21-G24 PolarHBondContact O-N 2.85Å; K21-G24 VanDerWaalsContact O-N 3.14Å; E22-G24 PolarHBondContact O-N 2.95Å; G24-P26 VanDerWaalsContact C-CD 3.48Å; G24-P26 WeakPolarHBondContact O-CD 3.49Å
25	I	87.3	Confident	84.1	Confident	12 Å²	12	55.6 Å²	55.6	6%	0.062	33%	0.326	C	S	.	.			trans	-127.1	68	-176.1	-53	161.7	0	0	0	108.5	S20 L23 T27 H81 I119	S20-I25 CarbonylContact C-O 3.52Å; S20-I25 VanDerWaalsContact CB-O 3.28Å; S20-I25 WeakPolarHBondContact CB-O 3.29Å; S20-I25 CarbonylContact O-C 3.5Å; S20-I25 PolarHBondContact O-N 3.35Å; L23-I25 PolarHBondContact O-N 3.05Å; I25-T27 PolarHBondContact O-N 2.87Å; I25-H81 HydrophobicContact CG2-CB 4.18Å; I25-I119 HydrophobicContact CD1-CB 3.88Å; I25-I119 HydrophobicContact CD1-CD1 3.94Å; I25-I119 HydrophobicContact CD1-CG2 3.7Å; I25-I119 HydrophobicContact CG1-CG2 4.47Å; I25-I119 HydrophobicContact CG2-CG2 3.77Å
26	P	92.1	Very high	84.6	Confident	64 Å²	64	60 Å²	60	42%	0.416	34%	0.339	S	S	.	.			trans	-62.2	136	-177.5	26.3	-35.4	0	0	0	111.4	G24 H81	G24-P26 VanDerWaalsContact C-CD 3.48Å; G24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-H81 PolarHBondContact O-ND1 3.17Å
27	T	93.1	Very high	85.6	Confident	33 Å²	33	61.5 Å²	61.5	20%	0.202	35%	0.347	C	S	.	.			trans	-115.3	127.4	178.5	50.3	0	0	0	0	111.8	S20 I25 N29 E79 T80 H81	S20-T27 PolarHBondContact OG-N 3.24Å; S20-T27 PolarHBondContact OG-OG1 2.86Å; I25-T27 PolarHBondContact O-N 2.87Å; T27-N29 PolarHBondContact O-ND2 3.1Å; T27-E79 PolarHBondContact OG1-OE2 3.49Å; T27-T80 CarbonylContact C-O 3.56Å; T27-T80 WeakPolarHBondContact CA-O 3.39Å; T27-H81 HydrophobicContact CG2-CB 4.19Å
28	A	95.4	Very high	87.2	Confident	5 Å²	5	59 Å²	59	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.1	171.9	0	0	0	0	0	110.2	V12 E79 T80 F90 L95	V12-A28 HydrophobicContact CG1-CB 3.81Å; V12-A28 HydrophobicContact CG2-CB 4.31Å; A28-E79 CarbonylContact O-C 3.53Å; A28-E79 WeakPolarHBondContact O-CA 3.32Å; A28-T80 PolarHBondContact N-O 3.25Å; A28-T80 PolarHBondContact O-N 3.3Å; A28-F90 HydrophobicContact CB-CE2 3.77Å; A28-F90 HydrophobicContact CB-CZ 4.18Å; A28-L95 HydrophobicContact CB-CD2 3.92Å
29	N	96.3	Very high	88.7	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.2	179.9	-69.1	-109.1	0	0	0	110	V13 T27 E79	V13-N29 HydrophobicContact CG2-CB 3.95Å; V13-N29 WeakPolarHBondContact CG2-O 3.39Å; V13-N29 PolarHBondContact N-O 2.91Å; T27-N29 PolarHBondContact O-ND2 3.1Å; N29-E79 WeakPolarHBondContact OD1-CG 3.29Å
30	F	96.4	Very high	90.1	Very high	9 Å²	9	55 Å²	55	4%	0.039	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-91.4	151.8	167.6	-77.1	-79.3	0	0	0	111.5	V34 V35 M63 M78 L95 V97	F30-V34 HydrophobicContact CB-CB 4.22Å; F30-V34 HydrophobicContact CB-CG1 4.14Å; F30-V34 HydrophobicContact CD1-CB 4.36Å; F30-V34 HydrophobicContact CD1-CG1 3.85Å; F30-V34 HydrophobicContact CG-CG1 4.11Å; F30-V35 HydrophobicContact CB-CG2 4.1Å; F30-M63 HydrophobicContact CE2-CE 4.25Å; F30-M78 HydrophobicContact CB-CE 4.38Å; F30-M78 HydrophobicContact CD1-CE 4.43Å; F30-M78 HydrophobicContact CD2-CB 4.26Å; F30-M78 HydrophobicContact CD2-CE 3.22Å; F30-M78 HydrophobicContact CD2-CG 4.21Å; F30-M78 HydrophobicContact CE2-CE 3.41Å; F30-M78 VanDerWaalsContact CE2-CE 3.41Å; F30-M78 HydrophobicContact CG-CE 3.76Å; F30-M78 HydrophobicContact CZ-CE 4.1Å; F30-M78 PolarHBondContact N-O 3.29Å; F30-L95 HydrophobicContact CE1-CB 4.19Å; F30-L95 HydrophobicContact CE1-CD2 4.36Å; F30-L95 HydrophobicContact CE1-CG 4.32Å; F30-L95 WeakPolarHBondContact CE1-O 3.34Å; F30-L95 HydrophobicContact CE2-CD2 3.74Å; F30-L95 HydrophobicContact CE2-CG 4.34Å; F30-L95 HydrophobicContact CZ-CB 4.07Å; F30-L95 HydrophobicContact CZ-CD2 3.59Å; F30-L95 HydrophobicContact CZ-CG 3.69Å; F30-V97 HydrophobicContact CE2-CG1 4.25Å; F30-V97 HydrophobicContact CE2-CG2 4.07Å; F30-V97 HydrophobicContact CZ-CG1 4.01Å; F30-V97 HydrophobicContact CZ-CG2 3.79Å
31	P	95.3	Very high	91.2	Very high	29 Å²	29	56.4 Å²	56.4	19%	0.188	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-68.2	152.5	174.1	29.9	-35.7	0	0	0	110.8	E11 V13 S33 V34 V35	E11-P31 WeakPolarHBondContact O-CD 3.45Å; V13-P31 HydrophobicContact CG1-CB 4.25Å; P31-S33 PolarHBondContact O-N 3.07Å; P31-S33 VanDerWaalsContact O-N 3.08Å; P31-V34 HydrophobicContact CG-CB 4.24Å; P31-V34 HydrophobicContact CG-CG2 3.76Å; P31-V34 WeakPolarHBondContact O-CB 3.11Å; P31-V34 PolarHBondContact O-N 2.84Å; P31-V35 PolarHBondContact O-N 2.83Å
32	D	92.9	Very high	92.2	Very high	48 Å²	48	50.6 Å²	50.6	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-48.2	-40.5	177.5	-77.2	15.6	0	0	0	112.4	V34 V35 E36 K75	D32-V34 PolarHBondContact O-N 2.78Å; D32-V34 VanDerWaalsContact O-N 3.17Å; D32-V35 PolarHBondContact O-N 2.94Å; D32-E36 WeakPolarHBondContact O-CB 3.41Å; D32-E36 VanDerWaalsContact O-CG 3.29Å; D32-E36 WeakPolarHBondContact O-CG 3.03Å; D32-E36 PolarHBondContact O-N 3.23Å; D32-K75 WeakPolarHBondContact OD2-CD 3.37Å; D32-K75 IonicContact OD2-NZ 2.92Å; D32-K75 PolarHBondContact OD2-NZ 3.33Å
33	S	94.8	Very high	93	Very high	72 Å²	72	44.5 Å²	44.5	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-27.8	179.2	58.5	0	0	0	0	113.5	P31 H37	P31-S33 PolarHBondContact O-N 3.07Å; P31-S33 VanDerWaalsContact O-N 3.08Å; S33-H37 PolarHBondContact O-CE1 2.85Å; S33-H37 VanDerWaalsContact O-CE1 3.28Å; S33-H37 PolarHBondContact O-ND1 2.83Å
34	V	96.4	Very high	93.9	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-82.6	-40	174.5	170.3	0	0	0	0	110.7	S8 R9 F30 P31 D32 H37 M78	S8-V34 WeakPolarHBondContact OG-CG1 3.28Å; R9-V34 WeakPolarHBondContact O-CG2 3.39Å; F30-V34 HydrophobicContact CB-CB 4.22Å; F30-V34 HydrophobicContact CB-CG1 4.14Å; F30-V34 HydrophobicContact CD1-CB 4.36Å; F30-V34 HydrophobicContact CD1-CG1 3.85Å; F30-V34 HydrophobicContact CG-CG1 4.11Å; P31-V34 HydrophobicContact CG-CB 4.24Å; P31-V34 HydrophobicContact CG-CG2 3.76Å; P31-V34 WeakPolarHBondContact O-CB 3.11Å; P31-V34 PolarHBondContact O-N 2.84Å; D32-V34 PolarHBondContact O-N 2.78Å; D32-V34 VanDerWaalsContact O-N 3.17Å; V34-H37 PolarHBondContact O-N 3.47Å; V34-M78 HydrophobicContact CG1-CE 4.26Å
35	V	95.3	Very high	94.6	Very high	8 Å²	8	41 Å²	41	5%	0.048	25%	0.249	C	C	.	.	H	α-helix	trans	-71	-33.6	-176.2	-170.5	0	0	0	0	111.8	F30 P31 D32 H37 L38 K76 M78	F30-V35 HydrophobicContact CB-CG2 4.1Å; P31-V35 PolarHBondContact O-N 2.83Å; D32-V35 PolarHBondContact O-N 2.94Å; V35-H37 PolarHBondContact O-N 3.26Å; V35-L38 HydrophobicContact CG1-CD1 3.72Å; V35-L38 VanDerWaalsContact O-CB 3.29Å; V35-L38 WeakPolarHBondContact O-CB 3.45Å; V35-L38 WeakPolarHBondContact O-CG 3.27Å; V35-L38 PolarHBondContact O-N 3.19Å; V35-K76 HydrophobicContact CG1-CB 3.74Å; V35-K76 WeakPolarHBondContact CG1-O 3.32Å; V35-M78 HydrophobicContact CG1-CB 4.37Å; V35-M78 HydrophobicContact CG2-CB 3.82Å
36	E	94.3	Very high	95.1	Very high	122 Å²	122	41.3 Å²	41.3	57%	0.57	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.1	176.7	-74.5	171.9	-178.2	0	0	113.3	D32 L38 K75	D32-E36 WeakPolarHBondContact O-CB 3.41Å; D32-E36 VanDerWaalsContact O-CG 3.29Å; D32-E36 WeakPolarHBondContact O-CG 3.03Å; D32-E36 PolarHBondContact O-N 3.23Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-K75 WeakPolarHBondContact OE1-CE 3.36Å; E36-K75 IonicContact OE1-NZ 2.74Å; E36-K75 PolarHBondContact OE1-NZ 2.71Å
37	H	95.4	Very high	95.5	Very high	143 Å²	143	38.3 Å²	38.3	66%	0.662	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-1	174.7	-69.3	90.3	0	0	0	113.7	Y6 S33 V34 V35 P39	Y6-H37 PolarHBondContact OH-O 3.35Å; S33-H37 PolarHBondContact O-CE1 2.85Å; S33-H37 VanDerWaalsContact O-CE1 3.28Å; S33-H37 PolarHBondContact O-ND1 2.83Å; V34-H37 PolarHBondContact O-N 3.47Å; V35-H37 PolarHBondContact O-N 3.26Å; H37-P39 WeakPolarHBondContact O-CD 3.48Å
38	L	95.1	Very high	95.7	Very high	19 Å²	19	37.6 Å²	37.6	10%	0.099	23%	0.225	C	C	.	.	S	Bend	trans	-57.8	128.5	175.9	-79.3	172.3	0	0	0	110.6	Y6 V35 E36 I42 I65 K76 M78	Y6-L38 HydrophobicContact CD1-CD2 4.1Å; Y6-L38 HydrophobicContact CE1-CD2 3.57Å; V35-L38 HydrophobicContact CG1-CD1 3.72Å; V35-L38 VanDerWaalsContact O-CB 3.29Å; V35-L38 WeakPolarHBondContact O-CB 3.45Å; V35-L38 WeakPolarHBondContact O-CG 3.27Å; V35-L38 PolarHBondContact O-N 3.19Å; E36-L38 VanDerWaalsContact C-N 3.35Å; L38-I42 HydrophobicContact CD2-CD1 4.06Å; L38-I42 HydrophobicContact CD2-CG2 4.36Å; L38-I65 HydrophobicContact CD1-CD1 4.22Å; L38-I65 HydrophobicContact CD1-CG2 4.11Å; L38-I65 HydrophobicContact CD2-CD1 4.32Å; L38-K76 HydrophobicContact CD1-CD 4.34Å; L38-M78 HydrophobicContact CD1-SD 4.24Å; L38-M78 HydrophobicContact CD2-SD 3.9Å; L38-M78 HydrophobicContact CG-SD 4.39Å
39	P	95.3	Very high	95.9	Very high	34 Å²	34	37.3 Å²	37.3	22%	0.221	22%	0.223	C	C	.	.			trans	-52.8	141.5	171.8	-28.1	33	0	0	0	112.3	S3 Y6 H37 D41 I42	S3-P39 WeakPolarHBondContact OG-CB 3.45Å; Y6-P39 HydrophobicContact CD2-CG 3.9Å; Y6-P39 HydrophobicContact CE2-CG 3.7Å; H37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-D41 WeakPolarHBondContact CB-OD1 3.28Å; P39-D41 PolarHBondContact O-N 2.95Å; P39-D41 VanDerWaalsContact O-N 3.14Å; P39-I42 HydrophobicContact CB-CD1 4.25Å; P39-I42 HydrophobicContact CB-CG1 4.19Å; P39-I42 HydrophobicContact CG-CD1 3.97Å; P39-I42 HydrophobicContact CG-CG1 4.45Å; P39-I42 WeakPolarHBondContact O-CB 3.2Å; P39-I42 PolarHBondContact O-N 2.81Å
40	G	93	Very high	96	Very high	79 Å²	79	36.8 Å²	36.8	81%	0.814	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23	-176.9	0	0	0	0	0	114.6	I42	G40-I42 VanDerWaalsContact C-N 3.34Å
41	D	93.4	Very high	96.1	Very high	62 Å²	62	36.3 Å²	36.3	33%	0.332	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.7	177	75.9	-45.7	0	0	0	114	M1 K2 S3 P39 S43	M1-D41 WeakPolarHBondContact CG-O 3.41Å; K2-D41 PolarHBondContact N-OD2 2.57Å; S3-D41 VanDerWaalsContact CB-OD1 3.28Å; S3-D41 WeakPolarHBondContact CB-OD1 3.38Å; S3-D41 PolarHBondContact N-OD2 3.28Å; S3-D41 VanDerWaalsContact OG-CG 3.26Å; S3-D41 PolarHBondContact OG-OD1 3.28Å; S3-D41 PolarHBondContact OG-OD2 3.1Å; P39-D41 WeakPolarHBondContact CB-OD1 3.28Å; P39-D41 PolarHBondContact O-N 2.95Å; P39-D41 VanDerWaalsContact O-N 3.14Å; D41-S43 PolarHBondContact O-N 2.86Å
42	I	95.6	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.			trans	-81.6	102.1	169.4	-61.7	-177.2	0	0	0	108.1	Y6 L38 P39 G40 Y47 I65 K76 M99	Y6-I42 HydrophobicContact CD1-CD1 4.18Å; Y6-I42 HydrophobicContact CD2-CD1 4.06Å; Y6-I42 HydrophobicContact CG-CD1 3.81Å; L38-I42 HydrophobicContact CD2-CD1 4.06Å; L38-I42 HydrophobicContact CD2-CG2 4.36Å; P39-I42 HydrophobicContact CB-CD1 4.25Å; P39-I42 HydrophobicContact CB-CG1 4.19Å; P39-I42 HydrophobicContact CG-CD1 3.97Å; P39-I42 HydrophobicContact CG-CG1 4.45Å; P39-I42 WeakPolarHBondContact O-CB 3.2Å; P39-I42 PolarHBondContact O-N 2.81Å; G40-I42 VanDerWaalsContact C-N 3.34Å; I42-Y47 HydrophobicContact CG2-CE1 4.44Å; I42-Y47 HydrophobicContact CG2-CE2 4.48Å; I42-I65 HydrophobicContact CG2-CD1 3.52Å; I42-K76 PolarHBondContact O-NZ 3.1Å; I42-M99 HydrophobicContact CD1-CE 3.61Å; I42-M99 HydrophobicContact CG1-CE 4.41Å; I42-M99 HydrophobicContact CG2-CE 3.88Å
43	S	94.9	Very high	96.4	Very high	51 Å²	51	33.7 Å²	33.7	36%	0.357	20%	0.202	S	C	.	.			trans	-73.7	168	178.8	60.5	0	0	0	0	111.7	D41 Y47	D41-S43 PolarHBondContact O-N 2.86Å; S43-Y47 PolarHBondContact N-OH 3.27Å; S43-Y47 WeakPolarHBondContact O-CE2 3.13Å; S43-Y47 PolarHBondContact O-OH 2.86Å; S43-Y47 PolarHBondContact OG-OH 3.35Å
44	T	96.8	Very high	96.4	Very high	31 Å²	31	31 Å²	31	19%	0.19	19%	0.185	C	C	.	.	S	Bend	trans	-68.2	158.8	165.7	65.3	0	0	0	0	110.8	I65 W67 E106	T44-I65 CarbonylContact C-O 3.58Å; T44-I65 WeakPolarHBondContact CA-O 3.37Å; T44-I65 WeakPolarHBondContact CB-O 3.24Å; T44-W67 HydrophobicContact CG2-CG 4.4Å; T44-E106 WeakPolarHBondContact CB-OE2 3.4Å; T44-E106 PolarHBondContact OG1-OE2 3.39Å
45	G	97.6	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.5	-166.3	-178.4	0	0	0	0	0	113.1	Y47 I65 R104	G45-Y47 WeakPolarHBondContact O-CD2 3.47Å; G45-I65 PolarHBondContact N-O 2.91Å; G45-I65 PolarHBondContact O-N 3.14Å; G45-R104 WeakPolarHBondContact CA-O 3.36Å
46	I	98.4	Very high	96.2	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.5	-176.4	-49.8	-54.8	0	0	0	109.9	M63 Y102 I103 R104 D122	I46-M63 CarbonylContact C-O 3.58Å; I46-M63 WeakPolarHBondContact CA-O 3.46Å; I46-Y102 WeakPolarHBondContact O-CD2 3.27Å; I46-I103 HydrophobicContact CB-CB 4.35Å; I46-I103 HydrophobicContact CG2-CB 4.37Å; I46-I103 HydrophobicContact CG2-CD1 4.1Å; I46-I103 HydrophobicContact CG2-CG1 4.5Å; I46-I103 PolarHBondContact O-N 2.83Å; I46-R104 HydrophobicContact CB-CG 4.07Å; I46-R104 HydrophobicContact CG1-CG 4.02Å; I46-R104 PolarHBondContact N-O 2.95Å; I46-D122 HydrophobicContact CG2-CB 4.1Å
47	Y	98.8	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	165.4	-176.9	-66	-94.7	0	0	0	110.6	M1 I42 S43 G45 V62 M63 I65 M99 G101 Y102	M1-Y47 HydrophobicContact CE-CE1 3.71Å; M1-Y47 WeakPolarHBondContact CE-OH 3.39Å; M1-Y47 HydrophobicContact SD-CE1 3.41Å; M1-Y47 WeakPolarHBondContact SD-CE1 3.34Å; M1-Y47 PolarHBondContact SD-OH 3.35Å; I42-Y47 HydrophobicContact CG2-CE1 4.44Å; I42-Y47 HydrophobicContact CG2-CE2 4.48Å; S43-Y47 PolarHBondContact N-OH 3.27Å; S43-Y47 WeakPolarHBondContact O-CE2 3.13Å; S43-Y47 PolarHBondContact O-OH 2.86Å; S43-Y47 PolarHBondContact OG-OH 3.35Å; G45-Y47 WeakPolarHBondContact O-CD2 3.47Å; Y47-V62 CarbonylContact O-C 3.45Å; Y47-V62 VanDerWaalsContact O-CA 3.28Å; Y47-V62 WeakPolarHBondContact O-CA 3.41Å; Y47-M63 PolarHBondContact N-O 2.73Å; Y47-M63 PolarHBondContact O-N 2.82Å; Y47-I65 HydrophobicContact CD2-CB 4.4Å; Y47-I65 HydrophobicContact CD2-CD1 3.9Å; Y47-I65 HydrophobicContact CD2-CG1 3.98Å; Y47-I65 HydrophobicContact CE2-CB 4.08Å; Y47-I65 HydrophobicContact CE2-CD1 3.73Å; Y47-I65 HydrophobicContact CE2-CG1 4Å; Y47-M99 WeakPolarHBondContact CB-SD 3.49Å; Y47-M99 HydrophobicContact CD1-CE 4.2Å; Y47-M99 HydrophobicContact CD1-CG 3.88Å; Y47-M99 HydrophobicContact CD1-SD 3.37Å; Y47-M99 WeakPolarHBondContact CD1-SD 3.39Å; Y47-M99 HydrophobicContact CD2-SD 3.93Å; Y47-M99 HydrophobicContact CE1-CE 4.32Å; Y47-M99 HydrophobicContact CE1-SD 4.02Å; Y47-M99 HydrophobicContact CG-CG 4.05Å; Y47-M99 HydrophobicContact CG-SD 3.31Å; Y47-G101 CarbonylContact C-O 3.19Å; Y47-G101 VanDerWaalsContact CA-O 3.27Å; Y47-G101 WeakPolarHBondContact CA-O 3.49Å; Y47-G101 WeakPolarHBondContact CB-O 3.31Å; Y47-G101 WeakPolarHBondContact CD1-O 3.28Å; Y47-Y102 HydrophobicContact CD1-CD2 4.04Å; Y47-Y102 HydrophobicContact CD2-CD2 4.39Å; Y47-Y102 AromaticContact CE1-CD2 3.61Å; Y47-Y102 HydrophobicContact CE1-CD2 3.61Å; Y47-Y102 HydrophobicContact CE1-CG 4.27Å; Y47-Y102 AromaticContact CE2-CD2 3.98Å; Y47-Y102 HydrophobicContact CE2-CD2 3.98Å; Y47-Y102 HydrophobicContact CE2-CE2 4.35Å; Y47-Y102 HydrophobicContact CG-CD2 4.42Å; Y47-Y102 AromaticContact CZ-CD2 3.58Å
48	Y	98.8	Very high	96.4	Very high	18 Å²	18	31.7 Å²	31.7	7%	0.071	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.4	173.9	65.3	-90.8	0	0	0	111.8	M61 V100 G101 I103 A126 N129 L130 H135	Y48-M61 WeakPolarHBondContact CA-O 3.46Å; Y48-V100 HydrophobicContact CD2-CB 4.33Å; Y48-V100 HydrophobicContact CE2-CB 4.14Å; Y48-V100 HydrophobicContact CE2-CG1 4.15Å; Y48-V100 PolarHBondContact O-N 2.82Å; Y48-G101 WeakPolarHBondContact CD1-O 3.46Å; Y48-G101 VanDerWaalsContact CE1-C 3.45Å; Y48-G101 VanDerWaalsContact CE1-CA 3.5Å; Y48-G101 PolarHBondContact N-O 2.79Å; Y48-G101 PolarHBondContact O-N 2.64Å; Y48-I103 HydrophobicContact CD1-CD1 4.13Å; Y48-I103 HydrophobicContact CD1-CG1 3.61Å; Y48-I103 HydrophobicContact CE1-CG1 4.33Å; Y48-A126 VanDerWaalsContact CB-CB 3.48Å; Y48-A126 HydrophobicContact CG-CB 4.26Å; Y48-N129 HydrophobicContact CD2-CB 4.41Å; Y48-N129 HydrophobicContact CE1-CB 4.17Å; Y48-N129 HydrophobicContact CE2-CB 3.73Å; Y48-L130 HydrophobicContact CD2-CD1 4.22Å; Y48-L130 HydrophobicContact CD2-CD2 3.84Å; Y48-L130 HydrophobicContact CD2-CG 3.72Å; Y48-L130 HydrophobicContact CE2-CD2 4.16Å; Y48-L130 HydrophobicContact CE2-CG 4.22Å; Y48-H135 PolarHBondContact OH-CE1 2.94Å; Y48-H135 VanDerWaalsContact OH-CE1 3.27Å
49	G	98.7	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-148.4	174.5	0	0	0	0	0	113.7	K60 M61 V98 L130	G49-K60 CarbonylContact O-C 3.58Å; G49-M61 PolarHBondContact N-O 3.25Å; G49-M61 VanDerWaalsContact N-O 3.11Å; G49-M61 PolarHBondContact N-SD 2.81Å; G49-M61 VanDerWaalsContact N-SD 3.43Å; G49-M61 PolarHBondContact O-N 3.08Å; G49-V98 CarbonylContact C-O 3.56Å; G49-V98 VanDerWaalsContact CA-O 3.24Å; G49-V98 WeakPolarHBondContact CA-O 3.4Å; G49-L130 WeakPolarHBondContact O-CD1 3.11Å
50	W	98.8	Very high	96.8	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.038	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.4	-178.2	-60.7	106.1	0	0	0	110.9	I58 H59 K60 V97 V98 L130 H135 K139 F144	W50-I58 HydrophobicContact CB-CG2 4Å; W50-I58 HydrophobicContact CE3-CG2 4.19Å; W50-H59 CarbonylContact C-O 3.38Å; W50-H59 WeakPolarHBondContact CA-O 3.39Å; W50-K60 HydrophobicContact CE3-CG 4.08Å; W50-K60 HydrophobicContact CH2-CG 3.87Å; W50-K60 HydrophobicContact CZ3-CB 4.45Å; W50-K60 HydrophobicContact CZ3-CG 3.45Å; W50-K60 VanDerWaalsContact CZ3-CG 3.45Å; W50-V97 CarbonylContact O-C 3.57Å; W50-V97 VanDerWaalsContact O-CA 3.27Å; W50-V97 WeakPolarHBondContact O-CA 3.36Å; W50-V98 PolarHBondContact N-O 2.82Å; W50-V98 PolarHBondContact O-N 2.84Å; W50-L130 HydrophobicContact CD2-CD2 4.32Å; W50-L130 HydrophobicContact CH2-CB 4.27Å; W50-L130 HydrophobicContact CZ2-CB 3.92Å; W50-L130 HydrophobicContact CZ2-CD2 3.95Å; W50-L130 HydrophobicContact CZ2-CG 4.4Å; W50-H135 PolarHBondContact NE1-O 3.19Å; W50-K139 HydrophobicContact CD2-CB 4.02Å; W50-K139 HydrophobicContact CD2-CG 4.23Å; W50-K139 HydrophobicContact CE3-CB 4.3Å; W50-K139 HydrophobicContact CE3-CD 4.21Å; W50-K139 HydrophobicContact CE3-CG 4.04Å; W50-K139 HydrophobicContact CG-CB 4.46Å; W50-K139 HydrophobicContact CH2-CB 4.5Å; W50-K139 HydrophobicContact CH2-CD 4.1Å; W50-K139 HydrophobicContact CZ2-CB 4.22Å; W50-K139 HydrophobicContact CZ3-CD 3.86Å; W50-K139 HydrophobicContact CZ3-CG 4.2Å; W50-F144 HydrophobicContact CB-CE2 3.88Å; W50-F144 HydrophobicContact CB-CZ 3.65Å
51	A	98.5	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.5	177.8	0	0	0	0	0	111.3	I58 H59 M61 V82 L95 S96 V97	A51-I58 CarbonylContact O-C 3.5Å; A51-I58 WeakPolarHBondContact O-CA 3.3Å; A51-H59 PolarHBondContact N-O 3.27Å; A51-H59 PolarHBondContact O-N 3.38Å; A51-M61 HydrophobicContact CB-CB 3.86Å; A51-M61 HydrophobicContact CB-CG 3.78Å; A51-V82 HydrophobicContact CB-CG1 4.24Å; A51-V82 HydrophobicContact CB-CG2 3.81Å; A51-L95 HydrophobicContact CB-CD1 4.05Å; A51-S96 CarbonylContact C-O 3.53Å; A51-S96 VanDerWaalsContact CA-O 3.28Å; A51-S96 WeakPolarHBondContact CA-O 3.25Å; A51-V97 HydrophobicContact CB-CG1 4.13Å
52	C	98.2	Very high	97.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.02	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.5	171.7	175.9	0	0	0	0	108.7	G56 I58 S96 F144	C52-G56 PolarHBondContact SG-O 3.16Å; C52-I58 HydrophobicContact CB-CG1 4.17Å; C52-S96 PolarHBondContact N-O 2.81Å; C52-S96 PolarHBondContact O-N 2.88Å; C52-F144 HydrophobicContact CB-CD1 3.52Å; C52-F144 HydrophobicContact CB-CE1 3.81Å
53	V	97.2	Very high	97.4	Very high	18 Å²	18	26.3 Å²	26.3	11%	0.109	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.2	176	-178.2	0	0	0	0	108.5	S55 G56 F86 F90 Q93 L95	V53-S55 PolarHBondContact O-N 3.39Å; V53-G56 PolarHBondContact O-N 3.08Å; V53-F86 HydrophobicContact CB-CE1 4.32Å; V53-F86 HydrophobicContact CG2-CE1 4.05Å; V53-F86 HydrophobicContact CG2-CZ 3.81Å; V53-F90 HydrophobicContact CG1-CB 3.78Å; V53-F90 HydrophobicContact CG1-CD2 3.86Å; V53-F90 HydrophobicContact CG1-CG 3.83Å; V53-F90 HydrophobicContact CG2-CD2 4.12Å; V53-F90 HydrophobicContact CG2-CE2 4.09Å; V53-F90 HydrophobicContact CG2-CG 4.41Å; V53-F90 HydrophobicContact CG2-CZ 4.36Å; V53-Q93 HydrophobicContact CG1-CB 3.92Å; V53-Q93 HydrophobicContact CG1-CG 4.46Å; V53-L95 HydrophobicContact CG2-CD1 3.99Å
54	G	94.8	Very high	97.5	Very high	15 Å²	15	25.7 Å²	25.7	16%	0.155	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-118.2	-177.1	0	0	0	0	0	112.3	I94 T147	G54-I94 PolarHBondContact N-O 2.8Å; G54-T147 PolarHBondContact O-OG1 3.37Å
55	S	92.4	Very high	97.5	Very high	101 Å²	101	24.2 Å²	24.2	71%	0.706	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	20.2	173.8	65.3	0	0	0	0	112.5	V53	V53-S55 PolarHBondContact O-N 3.39Å
56	G	94.3	Very high	97.3	Very high	42 Å²	42	24.4 Å²	24.4	43%	0.433	15%	0.151	S	C	.	.	S	Bend	trans	-78.3	-174.1	-179.2	0	0	0	0	0	113.5	C52 V53	C52-G56 PolarHBondContact SG-O 3.16Å; V53-G56 PolarHBondContact O-N 3.08Å
57	D	96.4	Very high	96.9	Very high	128 Å²	128	29 Å²	29	68%	0.684	17%	0.167	S	C	*	.			trans	-66	156	177.5	-70.3	-31.6	0	0	0	112.3	H59	D57-H59 PolarHBondContact O-CD2 2.84Å; D57-H59 VanDerWaalsContact O-CD2 3.26Å; D57-H59 PolarHBondContact O-NE2 2.99Å
58	I	98.1	Very high	96.2	Very high	37 Å²	37	29.4 Å²	29.4	19%	0.19	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.2	177.4	-52.9	167.9	0	0	0	108.7	W50 A51 C52 K139 F144	W50-I58 HydrophobicContact CB-CG2 4Å; W50-I58 HydrophobicContact CE3-CG2 4.19Å; A51-I58 CarbonylContact O-C 3.5Å; A51-I58 WeakPolarHBondContact O-CA 3.3Å; C52-I58 HydrophobicContact CB-CG1 4.17Å; I58-K139 HydrophobicContact CB-CG 3.97Å; I58-K139 HydrophobicContact CD1-CG 4.29Å; I58-K139 WeakPolarHBondContact CD1-O 3.26Å; I58-K139 HydrophobicContact CG2-CG 3.7Å; I58-K139 WeakPolarHBondContact O-CE 3.43Å; I58-F144 HydrophobicContact CD1-CB 3.54Å; I58-F144 HydrophobicContact CD1-CD1 4.42Å; I58-F144 HydrophobicContact CD1-CD2 3.75Å; I58-F144 HydrophobicContact CD1-CG 3.67Å; I58-F144 HydrophobicContact CG1-CB 4.2Å; I58-F144 HydrophobicContact CG1-CD1 4.39Å; I58-F144 HydrophobicContact CG1-CD2 4.44Å; I58-F144 HydrophobicContact CG1-CG 4.12Å; I58-F144 HydrophobicContact CG2-CD2 4.35Å; I58-F144 HydrophobicContact CG2-CE1 4.46Å; I58-F144 HydrophobicContact CG2-CE2 4.12Å; I58-F144 HydrophobicContact CG2-CZ 4.16Å
59	H	98.4	Very high	95.2	Very high	31 Å²	31	31.8 Å²	31.8	14%	0.144	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158.7	-176.9	-56.7	-67.8	0	0	0	111.2	W50 A51 D57 V82 H84	W50-H59 CarbonylContact C-O 3.38Å; W50-H59 WeakPolarHBondContact CA-O 3.39Å; A51-H59 PolarHBondContact N-O 3.27Å; A51-H59 PolarHBondContact O-N 3.38Å; D57-H59 PolarHBondContact O-CD2 2.84Å; D57-H59 VanDerWaalsContact O-CD2 3.26Å; D57-H59 PolarHBondContact O-NE2 2.99Å; H59-V82 HydrophobicContact CB-CG1 3.67Å; H59-H84 HydrophobicContact CB-CB 4.18Å; H59-H84 AromaticContact CD2-CG 3.98Å; H59-H84 AromaticContact CE1-CD2 3.95Å; H59-H84 AromaticContact CE1-CE1 3.8Å; H59-H84 AromaticContact CE1-CG 3.59Å; H59-H84 AromaticContact CE1-ND1 3.5Å; H59-H84 AromaticContact ND1-CG 3.79Å; H59-H84 AromaticContact ND1-ND1 3.79Å; H59-H84 AromaticContact NE2-CD2 3.7Å; H59-H84 AromaticContact NE2-CG 3.7Å
60	K	98.7	Very high	94.1	Very high	37 Å²	37	38.6 Å²	38.6	16%	0.161	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	152.9	169.3	-60.4	-175.3	-178.9	177.5	0	109.5	G49 W50 I83 K127 L130 E131	G49-K60 CarbonylContact O-C 3.58Å; W50-K60 HydrophobicContact CE3-CG 4.08Å; W50-K60 HydrophobicContact CH2-CG 3.87Å; W50-K60 HydrophobicContact CZ3-CB 4.45Å; W50-K60 HydrophobicContact CZ3-CG 3.45Å; W50-K60 VanDerWaalsContact CZ3-CG 3.45Å; K60-I83 HydrophobicContact CB-CB 4.35Å; K60-I83 HydrophobicContact CB-CD1 3.9Å; K60-I83 WeakPolarHBondContact O-CB 3.34Å; K60-I83 PolarHBondContact O-N 3.5Å; K60-K127 HydrophobicContact CD-CB 4.48Å; K60-K127 HydrophobicContact CD-CG 4.14Å; K60-K127 PolarHBondContact NZ-O 2.95Å; K60-L130 HydrophobicContact CB-CD1 3.74Å; K60-L130 HydrophobicContact CD-CB 4.11Å; K60-L130 HydrophobicContact CD-CD1 3.97Å; K60-L130 HydrophobicContact CG-CB 4.42Å; K60-L130 HydrophobicContact CG-CD1 3.73Å; K60-E131 VanDerWaalsContact CE-OE1 3.31Å; K60-E131 WeakPolarHBondContact CE-OE1 3.35Å; K60-E131 IonicContact NZ-OE1 2.71Å; K60-E131 PolarHBondContact NZ-OE1 3.22Å
61	M	98.6	Very high	93.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159.5	174.5	64.7	72.5	170	0	0	112	Y48 G49 A51 M63 T80 H81 V97 M99	Y48-M61 WeakPolarHBondContact CA-O 3.46Å; G49-M61 PolarHBondContact N-O 3.25Å; G49-M61 VanDerWaalsContact N-O 3.11Å; G49-M61 PolarHBondContact N-SD 2.81Å; G49-M61 VanDerWaalsContact N-SD 3.43Å; G49-M61 PolarHBondContact O-N 3.08Å; A51-M61 HydrophobicContact CB-CB 3.86Å; A51-M61 HydrophobicContact CB-CG 3.78Å; M61-M63 HydrophobicContact CE-CE 4.16Å; M61-M63 HydrophobicContact SD-CB 4.05Å; M61-T80 HydrophobicContact CB-CG2 3.8Å; M61-T80 HydrophobicContact CG-CG2 3.98Å; M61-T80 HydrophobicContact SD-CG2 4.26Å; M61-H81 VanDerWaalsContact CA-O 3.29Å; M61-H81 WeakPolarHBondContact CA-O 3.49Å; M61-H81 WeakPolarHBondContact CB-O 3.19Å; M61-V97 HydrophobicContact CE-CB 4.15Å; M61-V97 HydrophobicContact CE-CG1 4.44Å; M61-M99 HydrophobicContact CE-CB 4.33Å
62	V	98.6	Very high	92.3	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	151	157.4	-67.8	0	0	0	0	109.1	Y47 H81 I83 I103 I123 A126	Y47-V62 CarbonylContact O-C 3.45Å; Y47-V62 VanDerWaalsContact O-CA 3.28Å; Y47-V62 WeakPolarHBondContact O-CA 3.41Å; V62-H81 HydrophobicContact CG2-CB 3.87Å; V62-H81 PolarHBondContact N-O 3.04Å; V62-H81 PolarHBondContact O-N 2.97Å; V62-I83 HydrophobicContact CG1-CD1 4.48Å; V62-I103 HydrophobicContact CG1-CD1 4.39Å; V62-I123 HydrophobicContact CG1-CG1 4.37Å; V62-I123 HydrophobicContact CG2-CG1 4.04Å; V62-A126 HydrophobicContact CG1-CB 3.49Å; V62-A126 VanDerWaalsContact CG1-CB 3.49Å
63	M	98.3	Very high	91.4	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.8	-178.1	177	-174	-74.3	0	0	110.5	F30 I46 Y47 M61 I65 M78 E79 T80 V97 M99	F30-M63 HydrophobicContact CE2-CE 4.25Å; I46-M63 CarbonylContact C-O 3.58Å; I46-M63 WeakPolarHBondContact CA-O 3.46Å; Y47-M63 PolarHBondContact N-O 2.73Å; Y47-M63 PolarHBondContact O-N 2.82Å; M61-M63 HydrophobicContact CE-CE 4.16Å; M61-M63 HydrophobicContact SD-CB 4.05Å; M63-I65 HydrophobicContact CG-CG1 4.24Å; M63-I65 HydrophobicContact SD-CD1 4.22Å; M63-I65 HydrophobicContact SD-CG1 4.13Å; M63-M78 HydrophobicContact CE-CE 3.86Å; M63-M78 HydrophobicContact CE-CG 3.83Å; M63-M78 HydrophobicContact CE-SD 3.93Å; M63-M78 HydrophobicContact CG-CG 3.85Å; M63-M78 HydrophobicContact SD-CE 4.3Å; M63-M78 HydrophobicContact SD-CG 3.3Å; M63-M78 WeakPolarHBondContact SD-CG 3.29Å; M63-M78 HydrophobicContact SD-SD 3.55Å; M63-E79 CarbonylContact C-O 3.58Å; M63-E79 VanDerWaalsContact CA-O 3.25Å; M63-E79 WeakPolarHBondContact CA-O 3.42Å; M63-T80 VanDerWaalsContact CE-OG1 3.26Å; M63-T80 WeakPolarHBondContact CE-OG1 3.43Å; M63-V97 HydrophobicContact CE-CB 4.19Å; M63-V97 HydrophobicContact CE-CG1 4.24Å; M63-V97 HydrophobicContact CE-CG2 3.79Å; M63-M99 HydrophobicContact SD-SD 3.75Å
64	S	96.8	Very high	90.7	Very high	39 Å²	39	60 Å²	60	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127	167.7	-175.7	0	0	0	0	109.3	E79	S64-E79 PolarHBondContact N-O 2.96Å; S64-E79 PolarHBondContact O-N 3.01Å
65	I	96.8	Very high	90.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.3	166.4	-59.1	-177.9	0	0	0	106.9	L38 I42 T44 G45 Y47 M63 K76 S77 M78 M99	L38-I65 HydrophobicContact CD1-CD1 4.22Å; L38-I65 HydrophobicContact CD1-CG2 4.11Å; L38-I65 HydrophobicContact CD2-CD1 4.32Å; I42-I65 HydrophobicContact CG2-CD1 3.52Å; T44-I65 CarbonylContact C-O 3.58Å; T44-I65 WeakPolarHBondContact CA-O 3.37Å; T44-I65 WeakPolarHBondContact CB-O 3.24Å; G45-I65 PolarHBondContact N-O 2.91Å; G45-I65 PolarHBondContact O-N 3.14Å; Y47-I65 HydrophobicContact CD2-CB 4.4Å; Y47-I65 HydrophobicContact CD2-CD1 3.9Å; Y47-I65 HydrophobicContact CD2-CG1 3.98Å; Y47-I65 HydrophobicContact CE2-CB 4.08Å; Y47-I65 HydrophobicContact CE2-CD1 3.73Å; Y47-I65 HydrophobicContact CE2-CG1 4Å; M63-I65 HydrophobicContact CG-CG1 4.24Å; M63-I65 HydrophobicContact SD-CD1 4.22Å; M63-I65 HydrophobicContact SD-CG1 4.13Å; I65-K76 HydrophobicContact CG2-CD 4.09Å; I65-S77 WeakPolarHBondContact CA-O 3.36Å; I65-M78 HydrophobicContact CD1-SD 4.42Å; I65-M78 HydrophobicContact CG1-CG 4.08Å; I65-M99 HydrophobicContact CD1-CE 4.02Å; I65-M99 HydrophobicContact CD1-SD 3.89Å
66	G	93.8	Very high	90.5	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	178.4	-176.5	0	0	0	0	0	112.3	K76 S77 E106	G66-K76 CarbonylContact O-C 3.6Å; G66-K76 WeakPolarHBondContact O-CA 3.15Å; G66-S77 PolarHBondContact N-O 3.21Å; G66-S77 PolarHBondContact O-N 3.31Å; G66-E106 WeakPolarHBondContact CA-OE1 3.44Å
67	W	90.4	Very high	90.5	Very high	114 Å²	114	58.4 Å²	58.4	43%	0.432	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.4	170.9	-67.4	102.4	0	0	0	110.6	T44 P69 N73 K76	T44-W67 HydrophobicContact CG2-CG 4.4Å; W67-P69 VanDerWaalsContact O-CD 3.23Å; W67-P69 WeakPolarHBondContact O-CD 3.34Å; W67-N73 HydrophobicContact CB-CB 3.93Å; W67-N73 HydrophobicContact CG-CB 4.45Å; W67-N73 WeakPolarHBondContact CZ3-O 3.21Å; W67-K76 HydrophobicContact CD2-CG 4.36Å; W67-K76 HydrophobicContact CE3-CG 4.03Å; W67-K76 HydrophobicContact CH2-CG 4.21Å; W67-K76 HydrophobicContact CZ2-CG 4.5Å; W67-K76 HydrophobicContact CZ3-CG 3.97Å
68	N	82.9	Confident	90.4	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.053	25%	0.251	C	S	.	.			trans	-83.5	113.3	178.4	-172.6	-22.2	0	0	0	110.9	F16 Y70 Y71 N73 K75	F16-N68 VanDerWaalsContact CE2-ND2 3.29Å; F16-N68 WeakPolarHBondContact CE2-ND2 3.16Å; N68-Y70 VanDerWaalsContact C-N 3.27Å; N68-Y70 PolarHBondContact O-N 2.85Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.16Å; N68-Y70 VanDerWaalsContact OD1-CD2 3.32Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.47Å; N68-Y70 PolarHBondContact OD1-N 3.33Å; N68-Y71 HydrophobicContact CB-CD2 4.08Å; N68-Y71 VanDerWaalsContact ND2-CD2 3.31Å; N68-Y71 WeakPolarHBondContact ND2-CD2 3.19Å; N68-Y71 WeakPolarHBondContact ND2-CE2 3.5Å; N68-Y71 PolarHBondContact O-N 2.83Å; N68-N73 WeakPolarHBondContact O-CA 3.47Å; N68-N73 PolarHBondContact O-N 2.87Å; N68-N73 VanDerWaalsContact O-N 3.08Å; N68-N73 PolarHBondContact O-OD1 2.81Å; N68-K75 PolarHBondContact N-O 2.92Å
69	P	78.6	Confident	90.3	Very high	67 Å²	67	52.6 Å²	52.6	44%	0.435	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27.5	-178.9	-22.1	36.6	0	0	0	113.8	W67 Y71 K72 N73	W67-P69 VanDerWaalsContact O-CD 3.23Å; W67-P69 WeakPolarHBondContact O-CD 3.34Å; P69-Y71 PolarHBondContact O-N 2.87Å; P69-K72 PolarHBondContact O-N 2.82Å; P69-K72 VanDerWaalsContact O-N 3.1Å; P69-N73 VanDerWaalsContact CA-OD1 3.25Å; P69-N73 WeakPolarHBondContact CA-OD1 3.26Å
70	Y	76.1	Confident	90.3	Very high	144 Å²	144	51.2 Å²	51.2	57%	0.565	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-68	-23.6	179.6	-62.1	-74.9	0	0	0	112.5	F16 N68	F16-Y70 HydrophobicContact CB-CD2 3.99Å; F16-Y70 HydrophobicContact CB-CE2 3.32Å; F16-Y70 AromaticContact CD1-CD2 3.76Å; F16-Y70 HydrophobicContact CD1-CD2 3.76Å; F16-Y70 AromaticContact CD1-CE2 3.86Å; F16-Y70 HydrophobicContact CD1-CE2 3.86Å; F16-Y70 HydrophobicContact CD1-CG 4.19Å; F16-Y70 AromaticContact CD2-CD2 3.77Å; F16-Y70 HydrophobicContact CD2-CD2 3.77Å; F16-Y70 AromaticContact CD2-CE2 3.98Å; F16-Y70 HydrophobicContact CD2-CE2 3.98Å; F16-Y70 HydrophobicContact CE1-CD2 4.17Å; F16-Y70 HydrophobicContact CE1-CG 4.32Å; F16-Y70 HydrophobicContact CE2-CD2 4.2Å; F16-Y70 AromaticContact CG-CD2 3.55Å; F16-Y70 HydrophobicContact CG-CD2 3.55Å; F16-Y70 AromaticContact CG-CE2 3.44Å; F16-Y70 HydrophobicContact CG-CE2 3.44Å; F16-Y70 VanDerWaalsContact CG-CE2 3.44Å; F16-Y70 HydrophobicContact CG-CG 4.41Å; F16-Y70 HydrophobicContact CZ-CD2 4.38Å; N68-Y70 VanDerWaalsContact C-N 3.27Å; N68-Y70 PolarHBondContact O-N 2.85Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.16Å; N68-Y70 VanDerWaalsContact OD1-CD2 3.32Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.47Å; N68-Y70 PolarHBondContact OD1-N 3.33Å
71	Y	76.7	Confident	90.2	Very high	97 Å²	97	50.4 Å²	50.4	38%	0.38	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-102.3	33.6	172.7	-63.5	-71.9	0	0	0	112	F16 N68 P69 N73 T74 K75	F16-Y71 HydrophobicContact CZ-CE2 4.33Å; N68-Y71 HydrophobicContact CB-CD2 4.08Å; N68-Y71 VanDerWaalsContact ND2-CD2 3.31Å; N68-Y71 WeakPolarHBondContact ND2-CD2 3.19Å; N68-Y71 WeakPolarHBondContact ND2-CE2 3.5Å; N68-Y71 PolarHBondContact O-N 2.83Å; P69-Y71 PolarHBondContact O-N 2.87Å; Y71-N73 PolarHBondContact O-N 3.31Å; Y71-T74 PolarHBondContact O-N 3.15Å; Y71-T74 PolarHBondContact O-OG1 3.25Å; Y71-K75 HydrophobicContact CD2-CB 4.4Å; Y71-K75 HydrophobicContact CD2-CD 4.25Å; Y71-K75 HydrophobicContact CG-CD 4.21Å; Y71-K75 HydrophobicContact CG-CG 4.43Å
72	K	81.9	Confident	90.2	Very high	189 Å²	189	50.7 Å²	50.7	82%	0.822	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	31.6	-179.9	-55.1	-179	-179.4	179.4	0	113.2	P69 T74	P69-K72 PolarHBondContact O-N 2.82Å; P69-K72 VanDerWaalsContact O-N 3.1Å; K72-T74 HydrophobicContact CB-CG2 4.49Å; K72-T74 PolarHBondContact O-N 2.97Å
73	N	80.4	Confident	90.1	Very high	87 Å²	87	52 Å²	52	47%	0.465	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	27.1	-176	-59.2	-37.5	0	0	0	114.8	W67 N68 P69 Y71	W67-N73 HydrophobicContact CB-CB 3.93Å; W67-N73 HydrophobicContact CG-CB 4.45Å; W67-N73 WeakPolarHBondContact CZ3-O 3.21Å; N68-N73 WeakPolarHBondContact O-CA 3.47Å; N68-N73 PolarHBondContact O-N 2.87Å; N68-N73 VanDerWaalsContact O-N 3.08Å; N68-N73 PolarHBondContact O-OD1 2.81Å; P69-N73 VanDerWaalsContact CA-OD1 3.25Å; P69-N73 WeakPolarHBondContact CA-OD1 3.26Å; Y71-N73 PolarHBondContact O-N 3.31Å
74	T	82.6	Confident	90.1	Very high	106 Å²	106	56.1 Å²	56.1	65%	0.65	27%	0.269	S	S	*	.			trans	-92.3	-13.7	175.3	67.1	0	0	0	0	113.1	Y71 K72	Y71-T74 PolarHBondContact O-N 3.15Å; Y71-T74 PolarHBondContact O-OG1 3.25Å; K72-T74 HydrophobicContact CB-CG2 4.49Å; K72-T74 PolarHBondContact O-N 2.97Å
75	K	88	Confident	90	Very high	62 Å²	62	60.5 Å²	60.5	27%	0.27	29%	0.294	S	S	.	.	S	Bend	trans	-119.1	139.2	177.7	-65.6	-163.2	176.8	-157.5	0	110.6	D32 E36 N68 Y71	D32-K75 WeakPolarHBondContact OD2-CD 3.37Å; D32-K75 IonicContact OD2-NZ 2.92Å; D32-K75 PolarHBondContact OD2-NZ 3.33Å; E36-K75 WeakPolarHBondContact OE1-CE 3.36Å; E36-K75 IonicContact OE1-NZ 2.74Å; E36-K75 PolarHBondContact OE1-NZ 2.71Å; N68-K75 PolarHBondContact N-O 2.92Å; Y71-K75 HydrophobicContact CD2-CB 4.4Å; Y71-K75 HydrophobicContact CD2-CD 4.25Å; Y71-K75 HydrophobicContact CG-CD 4.21Å; Y71-K75 HydrophobicContact CG-CG 4.43Å
76	K	93.7	Very high	89.8	Confident	42 Å²	42	63.7 Å²	63.7	18%	0.183	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	159	169.4	-70.5	178.8	-177.9	170.5	0	110.3	V35 L38 I42 I65 G66 W67	V35-K76 HydrophobicContact CG1-CB 3.74Å; V35-K76 WeakPolarHBondContact CG1-O 3.32Å; L38-K76 HydrophobicContact CD1-CD 4.34Å; I42-K76 PolarHBondContact O-NZ 3.1Å; I65-K76 HydrophobicContact CG2-CD 4.09Å; G66-K76 CarbonylContact O-C 3.6Å; G66-K76 WeakPolarHBondContact O-CA 3.15Å; W67-K76 HydrophobicContact CD2-CG 4.36Å; W67-K76 HydrophobicContact CE3-CG 4.03Å; W67-K76 HydrophobicContact CH2-CG 4.21Å; W67-K76 HydrophobicContact CZ2-CG 4.5Å; W67-K76 HydrophobicContact CZ3-CG 3.97Å
77	S	93.9	Very high	89.8	Confident	21 Å²	21	74 Å²	74	15%	0.147	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156	163.9	60.7	0	0	0	0	109.9	I65 G66	I65-S77 WeakPolarHBondContact CA-O 3.36Å; G66-S77 PolarHBondContact N-O 3.21Å; G66-S77 PolarHBondContact O-N 3.31Å
78	M	95.8	Very high	89.9	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	108.7	176.6	-161.6	166.7	84.6	0	0	109	F30 V34 V35 L38 M63 I65 V97	F30-M78 HydrophobicContact CB-CE 4.38Å; F30-M78 HydrophobicContact CD1-CE 4.43Å; F30-M78 HydrophobicContact CD2-CB 4.26Å; F30-M78 HydrophobicContact CD2-CE 3.22Å; F30-M78 HydrophobicContact CD2-CG 4.21Å; F30-M78 HydrophobicContact CE2-CE 3.41Å; F30-M78 VanDerWaalsContact CE2-CE 3.41Å; F30-M78 HydrophobicContact CG-CE 3.76Å; F30-M78 HydrophobicContact CZ-CE 4.1Å; F30-M78 PolarHBondContact N-O 3.29Å; V34-M78 HydrophobicContact CG1-CE 4.26Å; V35-M78 HydrophobicContact CG1-CB 4.37Å; V35-M78 HydrophobicContact CG2-CB 3.82Å; L38-M78 HydrophobicContact CD1-SD 4.24Å; L38-M78 HydrophobicContact CD2-SD 3.9Å; L38-M78 HydrophobicContact CG-SD 4.39Å; M63-M78 HydrophobicContact CE-CE 3.86Å; M63-M78 HydrophobicContact CE-CG 3.83Å; M63-M78 HydrophobicContact CE-SD 3.93Å; M63-M78 HydrophobicContact CG-CG 3.85Å; M63-M78 HydrophobicContact SD-CE 4.3Å; M63-M78 HydrophobicContact SD-CG 3.3Å; M63-M78 WeakPolarHBondContact SD-CG 3.29Å; M63-M78 HydrophobicContact SD-SD 3.55Å; I65-M78 HydrophobicContact CD1-SD 4.42Å; I65-M78 HydrophobicContact CG1-CG 4.08Å; M78-V97 HydrophobicContact CE-CG2 4.43Å
79	E	95.6	Very high	90.4	Very high	42 Å²	42	79.5 Å²	79.5	20%	0.196	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.8	-173	-67.4	-174.4	-134.6	0	0	110	T27 A28 N29 M63 S64	T27-E79 PolarHBondContact OG1-OE2 3.49Å; A28-E79 CarbonylContact O-C 3.53Å; A28-E79 WeakPolarHBondContact O-CA 3.32Å; N29-E79 WeakPolarHBondContact OD1-CG 3.29Å; M63-E79 CarbonylContact C-O 3.58Å; M63-E79 VanDerWaalsContact CA-O 3.25Å; M63-E79 WeakPolarHBondContact CA-O 3.42Å; S64-E79 PolarHBondContact N-O 2.96Å; S64-E79 PolarHBondContact O-N 3.01Å
80	T	97.4	Very high	91.2	Very high	1 Å²	1	78.3 Å²	78.3	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.6	-175.1	-55	0	0	0	0	110.8	T27 A28 M61 M63 V82 L95 V97	T27-T80 CarbonylContact C-O 3.56Å; T27-T80 WeakPolarHBondContact CA-O 3.39Å; A28-T80 PolarHBondContact N-O 3.25Å; A28-T80 PolarHBondContact O-N 3.3Å; M61-T80 HydrophobicContact CB-CG2 3.8Å; M61-T80 HydrophobicContact CG-CG2 3.98Å; M61-T80 HydrophobicContact SD-CG2 4.26Å; M63-T80 VanDerWaalsContact CE-OG1 3.26Å; M63-T80 WeakPolarHBondContact CE-OG1 3.43Å; T80-V82 HydrophobicContact CG2-CG2 4.2Å; T80-L95 HydrophobicContact CG2-CD2 4.27Å; T80-V97 HydrophobicContact CG2-CG1 4.2Å
81	H	97.5	Very high	92.1	Very high	20 Å²	20	75.7 Å²	75.7	9%	0.093	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.7	163.5	177.6	65.1	0	0	0	108.8	I25 P26 T27 M61 V62	I25-H81 HydrophobicContact CG2-CB 4.18Å; P26-H81 PolarHBondContact O-ND1 3.17Å; T27-H81 HydrophobicContact CG2-CB 4.19Å; M61-H81 VanDerWaalsContact CA-O 3.29Å; M61-H81 WeakPolarHBondContact CA-O 3.49Å; M61-H81 WeakPolarHBondContact CB-O 3.19Å; V62-H81 HydrophobicContact CG2-CB 3.87Å; V62-H81 PolarHBondContact N-O 3.04Å; V62-H81 PolarHBondContact O-N 2.97Å
82	V	97.9	Very high	93.1	Very high	7 Å²	7	72.9 Å²	72.9	4%	0.042	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.5	173.6	-175.7	0	0	0	0	107.9	A51 H59 T80 H84 F86 L95	A51-V82 HydrophobicContact CB-CG1 4.24Å; A51-V82 HydrophobicContact CB-CG2 3.81Å; H59-V82 HydrophobicContact CB-CG1 3.67Å; T80-V82 HydrophobicContact CG2-CG2 4.2Å; V82-H84 HydrophobicContact CG1-CB 4.19Å; V82-H84 PolarHBondContact O-N 3.08Å; V82-F86 HydrophobicContact CB-CE2 3.87Å; V82-F86 HydrophobicContact CB-CZ 4.38Å; V82-F86 HydrophobicContact CG1-CE2 3.77Å; V82-F86 HydrophobicContact CG1-CZ 3.92Å; V82-L95 HydrophobicContact CG2-CD1 4.2Å
83	I	97.7	Very high	93.8	Very high	37 Å²	37	68.8 Å²	68.8	19%	0.19	35%	0.347	C	S	.	.	S	Bend	trans	-80.3	69.4	-176.6	-54.6	164.4	0	0	0	108.3	K60 V62 I123 A126 K127	K60-I83 HydrophobicContact CB-CB 4.35Å; K60-I83 HydrophobicContact CB-CD1 3.9Å; K60-I83 WeakPolarHBondContact O-CB 3.34Å; K60-I83 PolarHBondContact O-N 3.5Å; V62-I83 HydrophobicContact CG1-CD1 4.48Å; I83-I123 HydrophobicContact CD1-CG2 4.01Å; I83-I123 HydrophobicContact CG1-CG2 4.26Å; I83-I123 HydrophobicContact CG2-CG2 4.23Å; I83-A126 HydrophobicContact CD1-CB 4.45Å; I83-K127 HydrophobicContact CD1-CG 4.48Å
84	H	96.8	Very high	94.6	Very high	89 Å²	89	67.8 Å²	67.8	41%	0.412	34%	0.341	S	S	.	.	S	Bend	trans	-160	145.9	179.3	-178.7	66.8	0	0	0	110.1	H59 V82 F86	H59-H84 HydrophobicContact CB-CB 4.18Å; H59-H84 AromaticContact CD2-CG 3.98Å; H59-H84 AromaticContact CE1-CD2 3.95Å; H59-H84 AromaticContact CE1-CE1 3.8Å; H59-H84 AromaticContact CE1-CG 3.59Å; H59-H84 AromaticContact CE1-ND1 3.5Å; H59-H84 AromaticContact ND1-CG 3.79Å; H59-H84 AromaticContact ND1-ND1 3.79Å; H59-H84 AromaticContact NE2-CD2 3.7Å; H59-H84 AromaticContact NE2-CG 3.7Å; V82-H84 HydrophobicContact CG1-CB 4.19Å; V82-H84 PolarHBondContact O-N 3.08Å; H84-F86 HydrophobicContact CB-CE2 3.97Å; H84-F86 HydrophobicContact CB-CZ 4.32Å; H84-F86 AromaticContact CD2-CD1 3.96Å; H84-F86 AromaticContact CD2-CD2 3.97Å; H84-F86 AromaticContact CD2-CE1 3.82Å; H84-F86 AromaticContact CD2-CE2 3.81Å; H84-F86 AromaticContact CD2-CZ 3.74Å; H84-F86 PolarHBondContact O-N 2.85Å
85	T	94.8	Very high	95.4	Very high	130 Å²	130	62.8 Å²	62.8	80%	0.798	31%	0.31	S	S	*	.			trans	-90.2	102.9	176.3	-54.3	0	0	0	0	110.1
86	F	93.9	Very high	95.9	Very high	67 Å²	67	59.8 Å²	59.8	29%	0.294	30%	0.298	S	S	.	.			trans	-80	146.4	172	-64.6	-89.3	0	0	0	111	V53 V82 H84 E88 F90	V53-F86 HydrophobicContact CB-CE1 4.32Å; V53-F86 HydrophobicContact CG2-CE1 4.05Å; V53-F86 HydrophobicContact CG2-CZ 3.81Å; V82-F86 HydrophobicContact CB-CE2 3.87Å; V82-F86 HydrophobicContact CB-CZ 4.38Å; V82-F86 HydrophobicContact CG1-CE2 3.77Å; V82-F86 HydrophobicContact CG1-CZ 3.92Å; H84-F86 HydrophobicContact CB-CE2 3.97Å; H84-F86 HydrophobicContact CB-CZ 4.32Å; H84-F86 AromaticContact CD2-CD1 3.96Å; H84-F86 AromaticContact CD2-CD2 3.97Å; H84-F86 AromaticContact CD2-CE1 3.82Å; H84-F86 AromaticContact CD2-CE2 3.81Å; H84-F86 AromaticContact CD2-CZ 3.74Å; H84-F86 PolarHBondContact O-N 2.85Å; F86-E88 VanDerWaalsContact C-N 3.35Å; F86-F90 HydrophobicContact CB-CD1 4.35Å; F86-F90 HydrophobicContact CB-CE1 4.44Å; F86-F90 HydrophobicContact CD1-CD1 4.08Å; F86-F90 HydrophobicContact CD1-CE1 4.29Å; F86-F90 HydrophobicContact CD2-CD1 4.15Å; F86-F90 AromaticContact CD2-CE1 3.58Å; F86-F90 HydrophobicContact CD2-CE1 3.58Å; F86-F90 HydrophobicContact CE1-CD1 4.45Å; F86-F90 HydrophobicContact CE1-CE1 4.49Å; F86-F90 AromaticContact CE2-CE1 3.83Å; F86-F90 HydrophobicContact CE2-CE1 3.83Å; F86-F90 HydrophobicContact CE2-CZ 4.41Å; F86-F90 AromaticContact CG-CD1 3.92Å; F86-F90 HydrophobicContact CG-CD1 3.92Å; F86-F90 AromaticContact CG-CE1 3.83Å; F86-F90 HydrophobicContact CG-CE1 3.83Å; F86-F90 HydrophobicContact CZ-CE1 4.28Å
87	K	92.8	Very high	96.1	Very high	221 Å²	221	57.9 Å²	57.9	96%	0.961	29%	0.289	S	S	*	.	S	Bend	trans	-74.4	-27.9	176.2	-67	-178.6	179.8	177.8	0	112.8
88	E	92.5	Very high	96.3	Very high	157 Å²	157	56.9 Å²	56.9	73%	0.734	28%	0.282	S	S	*	.	S	Bend	trans	-142.5	160.9	-175.7	62	-171.4	167.3	0	0	110.8	F86	F86-E88 VanDerWaalsContact C-N 3.35Å
89	D	93.4	Very high	96.4	Very high	82 Å²	82	56.8 Å²	56.8	44%	0.439	28%	0.282	S	S	.	.			trans	-68.3	145	172.1	-68.5	-17.9	0	0	0	109.6	K21 Y91	K21-D89 IonicContact NZ-OD1 2.62Å; K21-D89 PolarHBondContact NZ-OD1 3.27Å; K21-D89 IonicContact NZ-OD2 2.71Å; K21-D89 PolarHBondContact NZ-OD2 2.8Å; D89-Y91 HydrophobicContact CB-CD2 3.79Å; D89-Y91 HydrophobicContact CB-CE2 3.88Å
90	F	95.6	Very high	96.5	Very high	42 Å²	42	55.4 Å²	55.4	18%	0.184	28%	0.276	C	S	.	.			trans	-116.2	35.2	-176.3	50.3	-96	0	0	0	112.6	V12 A28 V53 F86 Q93	V12-F90 HydrophobicContact CB-CD2 4.24Å; V12-F90 HydrophobicContact CG1-CD2 4.07Å; V12-F90 HydrophobicContact CG1-CE2 4.1Å; V12-F90 HydrophobicContact CG2-CD2 3.73Å; V12-F90 HydrophobicContact CG2-CE2 3.87Å; A28-F90 HydrophobicContact CB-CE2 3.77Å; A28-F90 HydrophobicContact CB-CZ 4.18Å; V53-F90 HydrophobicContact CG1-CB 3.78Å; V53-F90 HydrophobicContact CG1-CD2 3.86Å; V53-F90 HydrophobicContact CG1-CG 3.83Å; V53-F90 HydrophobicContact CG2-CD2 4.12Å; V53-F90 HydrophobicContact CG2-CE2 4.09Å; V53-F90 HydrophobicContact CG2-CG 4.41Å; V53-F90 HydrophobicContact CG2-CZ 4.36Å; F86-F90 HydrophobicContact CB-CD1 4.35Å; F86-F90 HydrophobicContact CB-CE1 4.44Å; F86-F90 HydrophobicContact CD1-CD1 4.08Å; F86-F90 HydrophobicContact CD1-CE1 4.29Å; F86-F90 HydrophobicContact CD2-CD1 4.15Å; F86-F90 AromaticContact CD2-CE1 3.58Å; F86-F90 HydrophobicContact CD2-CE1 3.58Å; F86-F90 HydrophobicContact CE1-CD1 4.45Å; F86-F90 HydrophobicContact CE1-CE1 4.49Å; F86-F90 AromaticContact CE2-CE1 3.83Å; F86-F90 HydrophobicContact CE2-CE1 3.83Å; F86-F90 HydrophobicContact CE2-CZ 4.41Å; F86-F90 AromaticContact CG-CD1 3.92Å; F86-F90 HydrophobicContact CG-CD1 3.92Å; F86-F90 AromaticContact CG-CE1 3.83Å; F86-F90 HydrophobicContact CG-CE1 3.83Å; F86-F90 HydrophobicContact CZ-CE1 4.28Å; F90-Q93 HydrophobicContact CB-CB 4.23Å; F90-Q93 HydrophobicContact CB-CG 4.03Å; F90-Q93 VanDerWaalsContact O-CB 3.29Å; F90-Q93 WeakPolarHBondContact O-CB 3.15Å; F90-Q93 PolarHBondContact O-N 3.45Å
91	Y	95.8	Very high	96.6	Very high	89 Å²	89	55.7 Å²	55.7	35%	0.349	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	142.3	171.3	-66.4	-68.9	0	0	0	110.9	V12 R14 D89 Q93	V12-Y91 HydrophobicContact CG1-CD1 4Å; V12-Y91 HydrophobicContact CG1-CE1 4.42Å; R14-Y91 HydrophobicContact CB-CE1 4.21Å; R14-Y91 HydrophobicContact CG-CD1 3.7Å; R14-Y91 HydrophobicContact CG-CE1 3.54Å; R14-Y91 HydrophobicContact CG-CE2 4.47Å; R14-Y91 HydrophobicContact CG-CG 4.26Å; D89-Y91 HydrophobicContact CB-CD2 3.79Å; D89-Y91 HydrophobicContact CB-CE2 3.88Å; Y91-Q93 PolarHBondContact O-N 3.44Å
92	G	96.1	Very high	96.6	Very high	38 Å²	38	58.5 Å²	58.5	39%	0.392	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-12.2	-176.4	0	0	0	0	0	114.7	E11 V12	E11-G92 WeakPolarHBondContact OE1-CA 3.29Å; V12-G92 PolarHBondContact O-N 2.8Å
93	Q	97.3	Very high	96.6	Very high	102 Å²	102	59.3 Å²	59.3	48%	0.477	29%	0.293	S	S	.	.	S	Bend	trans	-79.1	152.4	173.2	-62.7	-78.3	45.8	0	0	110.6	E11 V12 V53 F90 Y91 L95	E11-Q93 WeakPolarHBondContact CA-O 3.36Å; V12-Q93 WeakPolarHBondContact CG2-O 3.15Å; V12-Q93 PolarHBondContact N-O 2.77Å; V53-Q93 HydrophobicContact CG1-CB 3.92Å; V53-Q93 HydrophobicContact CG1-CG 4.46Å; F90-Q93 HydrophobicContact CB-CB 4.23Å; F90-Q93 HydrophobicContact CB-CG 4.03Å; F90-Q93 VanDerWaalsContact O-CB 3.29Å; F90-Q93 WeakPolarHBondContact O-CB 3.15Å; F90-Q93 PolarHBondContact O-N 3.45Å; Y91-Q93 PolarHBondContact O-N 3.44Å; Q93-L95 PolarHBondContact O-N 3.19Å
94	I	97.8	Very high	96.6	Very high	67 Å²	67	58.5 Å²	58.5	34%	0.344	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.3	173.6	-62.4	-58.2	0	0	0	109.7	R9 E11 G54	R9-I94 HydrophobicContact CG-CG2 3.28Å; E11-I94 HydrophobicContact CB-CD1 4.37Å; G54-I94 PolarHBondContact N-O 2.8Å
95	L	98.3	Very high	96.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.9	167.2	176.2	64.2	0	0	0	108.8	R9 G10 V12 A28 F30 A51 V53 T80 V82 Q93 V97	R9-L95 WeakPolarHBondContact CA-O 3.49Å; G10-L95 PolarHBondContact N-O 3.24Å; G10-L95 VanDerWaalsContact N-O 3.1Å; G10-L95 PolarHBondContact O-N 2.89Å; V12-L95 HydrophobicContact CG2-CB 3.5Å; V12-L95 VanDerWaalsContact CG2-CB 3.5Å; V12-L95 HydrophobicContact CG2-CD2 4.34Å; A28-L95 HydrophobicContact CB-CD2 3.92Å; F30-L95 HydrophobicContact CE1-CB 4.19Å; F30-L95 HydrophobicContact CE1-CD2 4.36Å; F30-L95 HydrophobicContact CE1-CG 4.32Å; F30-L95 WeakPolarHBondContact CE1-O 3.34Å; F30-L95 HydrophobicContact CE2-CD2 3.74Å; F30-L95 HydrophobicContact CE2-CG 4.34Å; F30-L95 HydrophobicContact CZ-CB 4.07Å; F30-L95 HydrophobicContact CZ-CD2 3.59Å; F30-L95 HydrophobicContact CZ-CG 3.69Å; A51-L95 HydrophobicContact CB-CD1 4.05Å; V53-L95 HydrophobicContact CG2-CD1 3.99Å; T80-L95 HydrophobicContact CG2-CD2 4.27Å; V82-L95 HydrophobicContact CG2-CD1 4.2Å; Q93-L95 PolarHBondContact O-N 3.19Å; L95-V97 HydrophobicContact CD1-CG1 4.14Å; L95-V97 HydrophobicContact CD2-CG1 4.22Å; L95-V97 HydrophobicContact CG-CG1 3.93Å
96	S	98.4	Very high	96.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.7	170.9	-58.9	0	0	0	0	108.9	R9 A51 C52	R9-S96 PolarHBondContact NE-OG 3Å; A51-S96 CarbonylContact C-O 3.53Å; A51-S96 VanDerWaalsContact CA-O 3.28Å; A51-S96 WeakPolarHBondContact CA-O 3.25Å; C52-S96 PolarHBondContact N-O 2.81Å; C52-S96 PolarHBondContact O-N 2.88Å
97	V	98.5	Very high	96.5	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.2	-179.7	-66.2	0	0	0	0	111.7	S8 F30 W50 A51 M61 M63 M78 T80 L95 F143	S8-V97 PolarHBondContact N-O 3.23Å; S8-V97 WeakPolarHBondContact O-CG2 3.29Å; S8-V97 PolarHBondContact O-N 3.28Å; F30-V97 HydrophobicContact CE2-CG1 4.25Å; F30-V97 HydrophobicContact CE2-CG2 4.07Å; F30-V97 HydrophobicContact CZ-CG1 4.01Å; F30-V97 HydrophobicContact CZ-CG2 3.79Å; W50-V97 CarbonylContact O-C 3.57Å; W50-V97 VanDerWaalsContact O-CA 3.27Å; W50-V97 WeakPolarHBondContact O-CA 3.36Å; A51-V97 HydrophobicContact CB-CG1 4.13Å; M61-V97 HydrophobicContact CE-CB 4.15Å; M61-V97 HydrophobicContact CE-CG1 4.44Å; M63-V97 HydrophobicContact CE-CB 4.19Å; M63-V97 HydrophobicContact CE-CG1 4.24Å; M63-V97 HydrophobicContact CE-CG2 3.79Å; M78-V97 HydrophobicContact CE-CG2 4.43Å; T80-V97 HydrophobicContact CG2-CG1 4.2Å; L95-V97 HydrophobicContact CD1-CG1 4.14Å; L95-V97 HydrophobicContact CD2-CG1 4.22Å; L95-V97 HydrophobicContact CG-CG1 3.93Å; V97-F143 WeakPolarHBondContact O-CE1 3.37Å
98	V	98.4	Very high	96.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	104.4	166	-179.1	0	0	0	0	106.5	P5 Y6 F7 G49 W50 V100 L138 F143 F144	P5-V98 HydrophobicContact CB-CG1 4.05Å; Y6-V98 CarbonylContact O-C 3.58Å; Y6-V98 WeakPolarHBondContact O-CA 3.38Å; F7-V98 HydrophobicContact CD1-CB 4.37Å; F7-V98 HydrophobicContact CD1-CG1 4.2Å; F7-V98 HydrophobicContact CD1-CG2 3.41Å; F7-V98 VanDerWaalsContact CD1-CG2 3.41Å; F7-V98 HydrophobicContact CE1-CB 4.34Å; F7-V98 HydrophobicContact CE1-CG1 3.85Å; F7-V98 HydrophobicContact CE1-CG2 3.49Å; F7-V98 VanDerWaalsContact CE1-CG2 3.49Å; F7-V98 HydrophobicContact CE2-CG1 4.36Å; F7-V98 HydrophobicContact CG-CG2 4.27Å; F7-V98 HydrophobicContact CZ-CG1 3.94Å; F7-V98 HydrophobicContact CZ-CG2 4.4Å; G49-V98 CarbonylContact C-O 3.56Å; G49-V98 VanDerWaalsContact CA-O 3.24Å; G49-V98 WeakPolarHBondContact CA-O 3.4Å; W50-V98 PolarHBondContact N-O 2.82Å; W50-V98 PolarHBondContact O-N 2.84Å; V98-V100 HydrophobicContact CG1-CG2 4.22Å; V98-L138 HydrophobicContact CG1-CB 4.43Å; V98-L138 HydrophobicContact CG1-CD1 4.46Å; V98-F143 HydrophobicContact CG2-CD1 3.64Å; V98-F143 HydrophobicContact CG2-CE1 3.99Å; V98-F144 HydrophobicContact CB-CE2 4.21Å; V98-F144 HydrophobicContact CB-CZ 4.02Å; V98-F144 HydrophobicContact CG2-CD2 4.43Å; V98-F144 HydrophobicContact CG2-CE1 4.3Å; V98-F144 HydrophobicContact CG2-CE2 3.49Å; V98-F144 VanDerWaalsContact CG2-CE2 3.49Å; V98-F144 HydrophobicContact CG2-CZ 3.42Å; V98-F144 VanDerWaalsContact CG2-CZ 3.42Å
99	M	98.2	Very high	96.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119	176	-174.9	169.2	62.9	0	0	108.7	L4 P5 Y6 I42 Y47 M61 M63 I65	L4-M99 HydrophobicContact CD2-CB 4.33Å; L4-M99 HydrophobicContact CD2-CE 3.75Å; L4-M99 HydrophobicContact CD2-CG 3.93Å; L4-M99 WeakPolarHBondContact CD2-O 3.44Å; P5-M99 CarbonylContact C-O 3.53Å; P5-M99 WeakPolarHBondContact CA-O 3.15Å; Y6-M99 HydrophobicContact CD1-CE 4.1Å; Y6-M99 HydrophobicContact CG-CE 4.35Å; Y6-M99 PolarHBondContact N-O 3.15Å; Y6-M99 PolarHBondContact O-N 2.98Å; I42-M99 HydrophobicContact CD1-CE 3.61Å; I42-M99 HydrophobicContact CG1-CE 4.41Å; I42-M99 HydrophobicContact CG2-CE 3.88Å; Y47-M99 WeakPolarHBondContact CB-SD 3.49Å; Y47-M99 HydrophobicContact CD1-CE 4.2Å; Y47-M99 HydrophobicContact CD1-CG 3.88Å; Y47-M99 HydrophobicContact CD1-SD 3.37Å; Y47-M99 WeakPolarHBondContact CD1-SD 3.39Å; Y47-M99 HydrophobicContact CD2-SD 3.93Å; Y47-M99 HydrophobicContact CE1-CE 4.32Å; Y47-M99 HydrophobicContact CE1-SD 4.02Å; Y47-M99 HydrophobicContact CG-CG 4.05Å; Y47-M99 HydrophobicContact CG-SD 3.31Å; M61-M99 HydrophobicContact CE-CB 4.33Å; M63-M99 HydrophobicContact SD-SD 3.75Å; I65-M99 HydrophobicContact CD1-CE 4.02Å; I65-M99 HydrophobicContact CD1-SD 3.89Å
100	V	98.2	Very high	95.9	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-44.1	-166.3	-180	0	0	0	0	111.4	Y48 V98 L130 H135 L138	Y48-V100 HydrophobicContact CD2-CB 4.33Å; Y48-V100 HydrophobicContact CE2-CB 4.14Å; Y48-V100 HydrophobicContact CE2-CG1 4.15Å; Y48-V100 PolarHBondContact O-N 2.82Å; V98-V100 HydrophobicContact CG1-CG2 4.22Å; V100-L130 HydrophobicContact CB-CD2 4.43Å; V100-L130 HydrophobicContact CG2-CD2 4.2Å; V100-H135 HydrophobicContact CG1-CB 4.08Å; V100-H135 WeakPolarHBondContact CG1-CD2 3.44Å; V100-L138 HydrophobicContact CB-CD1 4.32Å; V100-L138 HydrophobicContact CG1-CD1 3.82Å; V100-L138 HydrophobicContact CG2-CD1 3.65Å
101	G	97.8	Very high	95.7	Very high	7 Å²	7	55.7 Å²	55.7	7%	0.072	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	168.7	-173.7	0	0	0	0	0	113.2	Y47 Y48	Y47-G101 CarbonylContact C-O 3.19Å; Y47-G101 VanDerWaalsContact CA-O 3.27Å; Y47-G101 WeakPolarHBondContact CA-O 3.49Å; Y47-G101 WeakPolarHBondContact CB-O 3.31Å; Y47-G101 WeakPolarHBondContact CD1-O 3.28Å; Y48-G101 WeakPolarHBondContact CD1-O 3.46Å; Y48-G101 VanDerWaalsContact CE1-C 3.45Å; Y48-G101 VanDerWaalsContact CE1-CA 3.5Å; Y48-G101 PolarHBondContact N-O 2.79Å; Y48-G101 PolarHBondContact O-N 2.64Å
102	Y	98.3	Very high	95.4	Very high	80 Å²	80	55.9 Å²	55.9	31%	0.314	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.3	179.4	175.9	-100.5	0	0	0	110	M1 I46 Y47 R104 P105	M1-Y102 HydrophobicContact CE-CD1 4.49Å; M1-Y102 HydrophobicContact CE-CD2 3.75Å; M1-Y102 HydrophobicContact CE-CE2 4.36Å; M1-Y102 HydrophobicContact CE-CG 3.76Å; I46-Y102 WeakPolarHBondContact O-CD2 3.27Å; Y47-Y102 HydrophobicContact CD1-CD2 4.04Å; Y47-Y102 HydrophobicContact CD2-CD2 4.39Å; Y47-Y102 AromaticContact CE1-CD2 3.61Å; Y47-Y102 HydrophobicContact CE1-CD2 3.61Å; Y47-Y102 HydrophobicContact CE1-CG 4.27Å; Y47-Y102 AromaticContact CE2-CD2 3.98Å; Y47-Y102 HydrophobicContact CE2-CD2 3.98Å; Y47-Y102 HydrophobicContact CE2-CE2 4.35Å; Y47-Y102 HydrophobicContact CG-CD2 4.42Å; Y47-Y102 AromaticContact CZ-CD2 3.58Å; Y102-R104 WeakPolarHBondContact CE2-O 3.38Å; Y102-R104 PolarHBondContact OH-O 3.43Å; Y102-P105 WeakPolarHBondContact OH-CA 3.41Å; Y102-P105 WeakPolarHBondContact OH-CB 3.41Å; Y102-P105 WeakPolarHBondContact OH-CD 3.44Å
103	I	98.2	Very high	95.1	Very high	23 Å²	23	60 Å²	60	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-61.2	178.4	-57.1	-172.4	0	0	0	109.7	I46 Y48 V62 D122 E125 A126	I46-I103 HydrophobicContact CB-CB 4.35Å; I46-I103 HydrophobicContact CG2-CB 4.37Å; I46-I103 HydrophobicContact CG2-CD1 4.1Å; I46-I103 HydrophobicContact CG2-CG1 4.5Å; I46-I103 PolarHBondContact O-N 2.83Å; Y48-I103 HydrophobicContact CD1-CD1 4.13Å; Y48-I103 HydrophobicContact CD1-CG1 3.61Å; Y48-I103 HydrophobicContact CE1-CG1 4.33Å; V62-I103 HydrophobicContact CG1-CD1 4.39Å; I103-D122 HydrophobicContact CD1-CB 4.03Å; I103-D122 WeakPolarHBondContact CD1-O 3.44Å; I103-E125 HydrophobicContact CG2-CG 4.4Å; I103-A126 HydrophobicContact CD1-CB 4.36Å
104	R	97.9	Very high	94.9	Very high	20 Å²	20	57 Å²	57	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	162.3	-169.1	63.4	172.4	-177.8	83.4	-3.7	112.5	G45 I46 Y102 Y109 D122	G45-R104 WeakPolarHBondContact CA-O 3.36Å; I46-R104 HydrophobicContact CB-CG 4.07Å; I46-R104 HydrophobicContact CG1-CG 4.02Å; I46-R104 PolarHBondContact N-O 2.95Å; Y102-R104 WeakPolarHBondContact CE2-O 3.38Å; Y102-R104 PolarHBondContact OH-O 3.43Å; R104-Y109 PolarHBondContact NH1-OH 3.11Å; R104-Y109 PolarHBondContact NH2-OH 3.25Å; R104-D122 WeakPolarHBondContact CD-OD1 2.99Å; R104-D122 IonicContact CZ-OD1 3.75Å; R104-D122 IonicContact CZ-OD2 3.27Å; R104-D122 VanDerWaalsContact CZ-OD2 3.27Å; R104-D122 IonicContact NE-OD1 2.8Å; R104-D122 PolarHBondContact NE-OD1 2.87Å; R104-D122 IonicContact NE-OD2 3.11Å; R104-D122 PolarHBondContact NE-OD2 3.45Å; R104-D122 VanDerWaalsContact NE-OD2 3.11Å; R104-D122 IonicContact NH2-OD1 3.84Å; R104-D122 IonicContact NH2-OD2 2.68Å; R104-D122 PolarHBondContact NH2-OD2 2.88Å
105	P	97.6	Very high	94.6	Very high	68 Å²	68	56.5 Å²	56.5	44%	0.442	30%	0.301	S	S	.	.			trans	-69.7	166.7	172.7	27.6	-35.1	0	0	0	112	Y102	Y102-P105 WeakPolarHBondContact OH-CA 3.41Å; Y102-P105 WeakPolarHBondContact OH-CB 3.41Å; Y102-P105 WeakPolarHBondContact OH-CD 3.44Å
106	E	93.6	Very high	94.3	Very high	87 Å²	87	58.5 Å²	58.5	41%	0.407	31%	0.311	S	S	.	.			trans	-57	144	167.7	-65.5	178.7	101.7	0	0	110.1	T44 G66	T44-E106 WeakPolarHBondContact CB-OE2 3.4Å; T44-E106 PolarHBondContact OG1-OE2 3.39Å; G66-E106 WeakPolarHBondContact CA-OE1 3.44Å
107	R	92	Very high	94.1	Very high	153 Å²	153	61.4 Å²	61.4	58%	0.577	34%	0.335	S	S	*	.			trans	-136.9	145.7	179.1	-66.5	-178.9	-177.2	176.7	1.8	109.2	Y109	R107-Y109 HydrophobicContact CB-CE2 3.95Å; R107-Y109 WeakPolarHBondContact O-CE2 3.44Å
108	S	88.4	Confident	94	Very high	123 Å²	123	62.1 Å²	62.1	86%	0.86	34%	0.342	S	S	*	.			trans	-87	149	166.5	-61.5	0	0	0	0	109.2
109	Y	88.4	Confident	93.8	Very high	64 Å²	64	63.7 Å²	63.7	25%	0.251	35%	0.35	S	S	.	.			trans	-129	134.7	-179.6	-62.7	-84.2	0	0	0	109.5	R104 R107 S111 A114 L115 A118	R104-Y109 PolarHBondContact NH1-OH 3.11Å; R104-Y109 PolarHBondContact NH2-OH 3.25Å; R107-Y109 HydrophobicContact CB-CE2 3.95Å; R107-Y109 WeakPolarHBondContact O-CE2 3.44Å; Y109-S111 VanDerWaalsContact C-N 3.25Å; Y109-S111 PolarHBondContact O-N 3.28Å; Y109-A114 HydrophobicContact CD1-CB 4.02Å; Y109-L115 HydrophobicContact CD2-CB 4.04Å; Y109-L115 HydrophobicContact CD2-CD1 3.58Å; Y109-L115 HydrophobicContact CD2-CG 4.41Å; Y109-L115 HydrophobicContact CE2-CD1 3.71Å; Y109-L115 HydrophobicContact CG-CB 4.01Å; Y109-L115 HydrophobicContact CG-CD1 4.38Å; Y109-A118 HydrophobicContact CD1-CB 4.46Å; Y109-A118 HydrophobicContact CE1-CB 3.4Å; Y109-A118 HydrophobicContact CE2-CB 4.44Å; Y109-A118 WeakPolarHBondContact OH-CB 3.45Å
110	D	90.1	Very high	93.7	Very high	175 Å²	175	67.4 Å²	67.4	94%	0.936	37%	0.369	S	S	*	.	S	Bend	trans	-80.7	-8.5	-177.5	-56.2	-43.9	0	0	0	112.7
111	S	91	Very high	93.7	Very high	59 Å²	59	71.9 Å²	71.9	41%	0.413	39%	0.389	S	S	.	.	S	Bend	trans	-149.2	159.8	176.1	75.9	0	0	0	0	112.4	Y109 D113 A114 L115	Y109-S111 VanDerWaalsContact C-N 3.25Å; Y109-S111 PolarHBondContact O-N 3.28Å; S111-D113 VanDerWaalsContact C-N 3.34Å; S111-A114 PolarHBondContact O-N 2.95Å; S111-A114 WeakPolarHBondContact OG-CB 3.29Å; S111-A114 PolarHBondContact OG-N 2.98Å; S111-A114 VanDerWaalsContact OG-N 3.14Å; S111-L115 PolarHBondContact O-N 3.29Å
112	L	88.2	Confident	93.7	Very high	94 Å²	94	71.7 Å²	71.7	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-40.9	175	-172.6	59.3	0	0	0	111.9	L23 A114 L115 I116	L23-L112 HydrophobicContact CD1-CD1 3.76Å; L23-L112 HydrophobicContact CD2-CD1 3.6Å; L23-L112 HydrophobicContact CD2-CD2 3.71Å; L23-L112 HydrophobicContact CD2-CG 3.97Å; L23-L112 HydrophobicContact CG-CD1 4.34Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.34Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CB 3.36Å; L112-L115 PolarHBondContact O-N 3.41Å; L112-I116 HydrophobicContact CG-CD1 4.05Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 3.43Å
113	D	91.2	Very high	93.7	Very high	124 Å²	124	68.4 Å²	68.4	66%	0.663	37%	0.374	S	S	*	.	H	α-helix	trans	-62.8	-39.1	178.4	-65.6	-24.6	0	0	0	111.8	S111 L115 I116 A117	S111-D113 VanDerWaalsContact C-N 3.34Å; D113-L115 VanDerWaalsContact C-N 3.34Å; D113-I116 PolarHBondContact O-N 2.78Å; D113-A117 VanDerWaalsContact O-CB 3.28Å; D113-A117 WeakPolarHBondContact O-CB 3.48Å; D113-A117 PolarHBondContact O-N 3.31Å
114	A	93.4	Very high	93.7	Very high	39 Å²	39	72 Å²	72	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-65.5	-38.3	176.3	0	0	0	0	0	111.8	Y109 S111 L112 A118	Y109-A114 HydrophobicContact CD1-CB 4.02Å; S111-A114 PolarHBondContact O-N 2.95Å; S111-A114 WeakPolarHBondContact OG-CB 3.29Å; S111-A114 PolarHBondContact OG-N 2.98Å; S111-A114 VanDerWaalsContact OG-N 3.14Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.34Å; A114-A118 WeakPolarHBondContact O-CB 3.31Å; A114-A118 PolarHBondContact O-N 2.62Å; A114-A118 VanDerWaalsContact O-N 3.08Å
115	L	90.9	Very high	93.8	Very high	56 Å²	56	73.1 Å²	73.1	29%	0.293	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-49.8	173.3	173.1	62.9	0	0	0	111.2	L23 Y109 S111 L112 D113 A117 A118 I119	L23-L115 HydrophobicContact CD1-CD2 4.46Å; Y109-L115 HydrophobicContact CD2-CB 4.04Å; Y109-L115 HydrophobicContact CD2-CD1 3.58Å; Y109-L115 HydrophobicContact CD2-CG 4.41Å; Y109-L115 HydrophobicContact CE2-CD1 3.71Å; Y109-L115 HydrophobicContact CG-CB 4.01Å; Y109-L115 HydrophobicContact CG-CD1 4.38Å; S111-L115 PolarHBondContact O-N 3.29Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CB 3.36Å; L112-L115 PolarHBondContact O-N 3.41Å; D113-L115 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 2.82Å; L115-A118 PolarHBondContact O-N 3.27Å; L115-I119 HydrophobicContact CD1-CD1 3.88Å; L115-I119 HydrophobicContact CD1-CG1 4.22Å; L115-I119 HydrophobicContact CG-CD1 3.96Å; L115-I119 WeakPolarHBondContact O-CG1 3.25Å; L115-I119 PolarHBondContact O-N 3.03Å
116	I	91.6	Very high	93.8	Very high	42 Å²	42	69.9 Å²	69.9	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-60	-45.9	179.2	-68.7	168.6	0	0	0	110.6	L23 L112 D113 A118 I119 N120	L23-I116 HydrophobicContact CB-CG1 4.47Å; L23-I116 HydrophobicContact CD2-CD1 4.31Å; L112-I116 HydrophobicContact CG-CD1 4.05Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 3.43Å; D113-I116 PolarHBondContact O-N 2.78Å; I116-A118 VanDerWaalsContact C-N 3.3Å; I116-A118 PolarHBondContact O-N 3.12Å; I116-I119 PolarHBondContact O-N 3.1Å; I116-N120 WeakPolarHBondContact CG2-ND2 3.42Å; I116-N120 PolarHBondContact O-N 3.06Å; I116-N120 PolarHBondContact O-ND2 3.23Å
117	A	94.6	Very high	94	Very high	61 Å²	61	69.1 Å²	69.1	50%	0.504	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-41.8	178.4	0	0	0	0	0	111.9	D113 L115 N120 H121	D113-A117 VanDerWaalsContact O-CB 3.28Å; D113-A117 WeakPolarHBondContact O-CB 3.48Å; D113-A117 PolarHBondContact O-N 3.31Å; L115-A117 PolarHBondContact O-N 2.82Å; A117-N120 PolarHBondContact O-N 3.43Å; A117-H121 PolarHBondContact O-N 3.26Å
118	A	95.6	Very high	94.3	Very high	17 Å²	17	69.6 Å²	69.6	14%	0.14	37%	0.373	C	S	.	.	H	α-helix	trans	-67.1	-41.5	177.2	0	0	0	0	0	112.7	Y109 A114 L115 I116 N120 H121 D122	Y109-A118 HydrophobicContact CD1-CB 4.46Å; Y109-A118 HydrophobicContact CE1-CB 3.4Å; Y109-A118 HydrophobicContact CE2-CB 4.44Å; Y109-A118 WeakPolarHBondContact OH-CB 3.45Å; A114-A118 WeakPolarHBondContact O-CB 3.31Å; A114-A118 PolarHBondContact O-N 2.62Å; A114-A118 VanDerWaalsContact O-N 3.08Å; L115-A118 PolarHBondContact O-N 3.27Å; I116-A118 VanDerWaalsContact C-N 3.3Å; I116-A118 PolarHBondContact O-N 3.12Å; A118-N120 VanDerWaalsContact C-N 3.34Å; A118-N120 PolarHBondContact O-N 3Å; A118-H121 WeakPolarHBondContact O-CB 3.28Å; A118-H121 PolarHBondContact O-N 3Å; A118-D122 PolarHBondContact O-N 2.81Å
119	I	94.3	Very high	94.8	Very high	33 Å²	33	65.6 Å²	65.6	17%	0.169	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-40.9	177.2	-61.5	162.5	0	0	0	110.9	I25 L115 I116 H121 D122 I123	I25-I119 HydrophobicContact CD1-CB 3.88Å; I25-I119 HydrophobicContact CD1-CD1 3.94Å; I25-I119 HydrophobicContact CD1-CG2 3.7Å; I25-I119 HydrophobicContact CG1-CG2 4.47Å; I25-I119 HydrophobicContact CG2-CG2 3.77Å; L115-I119 HydrophobicContact CD1-CD1 3.88Å; L115-I119 HydrophobicContact CD1-CG1 4.22Å; L115-I119 HydrophobicContact CG-CD1 3.96Å; L115-I119 WeakPolarHBondContact O-CG1 3.25Å; L115-I119 PolarHBondContact O-N 3.03Å; I116-I119 PolarHBondContact O-N 3.1Å; I119-H121 VanDerWaalsContact C-N 3.3Å; I119-H121 PolarHBondContact O-N 3.46Å; I119-D122 WeakPolarHBondContact O-CB 3.23Å; I119-D122 PolarHBondContact O-N 2.91Å; I119-D122 VanDerWaalsContact O-N 3.15Å; I119-I123 HydrophobicContact CG2-CD1 4.05Å; I119-I123 HydrophobicContact CG2-CG1 4.44Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.43Å
120	N	96.3	Very high	95.3	Very high	78 Å²	78	62.6 Å²	62.6	42%	0.417	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-39.7	175.2	-76.1	-39.6	0	0	0	111.9	I116 A117 A118 I123 E124	I116-N120 WeakPolarHBondContact CG2-ND2 3.42Å; I116-N120 PolarHBondContact O-N 3.06Å; I116-N120 PolarHBondContact O-ND2 3.23Å; A117-N120 PolarHBondContact O-N 3.43Å; A118-N120 VanDerWaalsContact C-N 3.34Å; A118-N120 PolarHBondContact O-N 3Å; N120-I123 PolarHBondContact O-N 2.71Å; N120-E124 WeakPolarHBondContact O-CG 3.38Å; N120-E124 PolarHBondContact O-N 3.07Å
121	H	97.9	Very high	95.6	Very high	106 Å²	106	59.5 Å²	59.5	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-44.3	172.5	-179.7	-83.3	0	0	0	111.8	A117 A118 I119 I123 E124 E125	A117-H121 PolarHBondContact O-N 3.26Å; A118-H121 WeakPolarHBondContact O-CB 3.28Å; A118-H121 PolarHBondContact O-N 3Å; I119-H121 VanDerWaalsContact C-N 3.3Å; I119-H121 PolarHBondContact O-N 3.46Å; H121-I123 VanDerWaalsContact C-N 3.31Å; H121-I123 PolarHBondContact O-N 3.43Å; H121-E124 PolarHBondContact O-N 3.44Å; H121-E125 IonicContact CE1-OE2 3.32Å; H121-E125 PolarHBondContact CE1-OE2 3.45Å; H121-E125 VanDerWaalsContact CE1-OE2 3.32Å; H121-E125 IonicContact ND1-OE2 3.85Å; H121-E125 WeakPolarHBondContact O-CB 3.29Å; H121-E125 PolarHBondContact O-N 2.74Å
122	D	98.4	Very high	95.9	Very high	3 Å²	3	60 Å²	60	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-61.1	-39.9	177.2	-59.8	-29.7	0	0	0	111.7	I46 I103 R104 A118 I119 E125 A126	I46-D122 HydrophobicContact CG2-CB 4.1Å; I103-D122 HydrophobicContact CD1-CB 4.03Å; I103-D122 WeakPolarHBondContact CD1-O 3.44Å; R104-D122 WeakPolarHBondContact CD-OD1 2.99Å; R104-D122 IonicContact CZ-OD1 3.75Å; R104-D122 IonicContact CZ-OD2 3.27Å; R104-D122 VanDerWaalsContact CZ-OD2 3.27Å; R104-D122 IonicContact NE-OD1 2.8Å; R104-D122 PolarHBondContact NE-OD1 2.87Å; R104-D122 IonicContact NE-OD2 3.11Å; R104-D122 PolarHBondContact NE-OD2 3.45Å; R104-D122 VanDerWaalsContact NE-OD2 3.11Å; R104-D122 IonicContact NH2-OD1 3.84Å; R104-D122 IonicContact NH2-OD2 2.68Å; R104-D122 PolarHBondContact NH2-OD2 2.88Å; A118-D122 PolarHBondContact O-N 2.81Å; I119-D122 WeakPolarHBondContact O-CB 3.23Å; I119-D122 PolarHBondContact O-N 2.91Å; I119-D122 VanDerWaalsContact O-N 3.15Å; D122-E125 PolarHBondContact O-N 3.41Å; D122-A126 VanDerWaalsContact O-CB 3.28Å; D122-A126 WeakPolarHBondContact O-CB 3.12Å; D122-A126 PolarHBondContact O-N 3.32Å
123	I	98.3	Very high	96.4	Very high	11 Å²	11	60.3 Å²	60.3	6%	0.056	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-45.7	175.5	-72.1	168	0	0	0	111	V62 I83 I119 N120 H121 A126 K127	V62-I123 HydrophobicContact CG1-CG1 4.37Å; V62-I123 HydrophobicContact CG2-CG1 4.04Å; I83-I123 HydrophobicContact CD1-CG2 4.01Å; I83-I123 HydrophobicContact CG1-CG2 4.26Å; I83-I123 HydrophobicContact CG2-CG2 4.23Å; I119-I123 HydrophobicContact CG2-CD1 4.05Å; I119-I123 HydrophobicContact CG2-CG1 4.44Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.43Å; N120-I123 PolarHBondContact O-N 2.71Å; H121-I123 VanDerWaalsContact C-N 3.31Å; H121-I123 PolarHBondContact O-N 3.43Å; I123-A126 PolarHBondContact O-N 2.81Å; I123-K127 HydrophobicContact CG2-CD 4.23Å; I123-K127 WeakPolarHBondContact O-CB 3.37Å; I123-K127 VanDerWaalsContact O-CG 3.29Å; I123-K127 WeakPolarHBondContact O-CG 3.33Å; I123-K127 PolarHBondContact O-N 3.27Å
124	E	98.6	Very high	96.6	Very high	98 Å²	98	58.9 Å²	58.9	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-36.5	179	-68.7	-51.8	123.4	0	0	112.3	N120 H121 K127 R128	N120-E124 WeakPolarHBondContact O-CG 3.38Å; N120-E124 PolarHBondContact O-N 3.07Å; H121-E124 PolarHBondContact O-N 3.44Å; E124-K127 PolarHBondContact O-N 3.45Å; E124-K127 WeakPolarHBondContact OE1-CD 3.48Å; E124-K127 IonicContact OE1-NZ 2.84Å; E124-K127 PolarHBondContact OE1-NZ 3.14Å; E124-R128 WeakPolarHBondContact O-CG 3.28Å; E124-R128 PolarHBondContact O-N 3.4Å; E124-R128 VanDerWaalsContact O-N 3.07Å
125	E	98.5	Very high	96.7	Very high	45 Å²	45	58.4 Å²	58.4	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-45.9	172.9	-174.5	165.2	167.3	0	0	112	I103 H121 D122 K127 R128 N129	I103-E125 HydrophobicContact CG2-CG 4.4Å; H121-E125 IonicContact CE1-OE2 3.32Å; H121-E125 PolarHBondContact CE1-OE2 3.45Å; H121-E125 VanDerWaalsContact CE1-OE2 3.32Å; H121-E125 IonicContact ND1-OE2 3.85Å; H121-E125 WeakPolarHBondContact O-CB 3.29Å; H121-E125 PolarHBondContact O-N 2.74Å; D122-E125 PolarHBondContact O-N 3.41Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 2.81Å; E125-R128 PolarHBondContact O-N 2.93Å; E125-N129 WeakPolarHBondContact CG-ND2 3.48Å; E125-N129 WeakPolarHBondContact O-CB 3.45Å; E125-N129 PolarHBondContact O-N 3.44Å; E125-N129 PolarHBondContact O-ND2 2.91Å
126	A	98.6	Very high	97	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-46	173.6	0	0	0	0	0	111.7	Y48 V62 I83 I103 D122 I123 R128 N129 L130	Y48-A126 VanDerWaalsContact CB-CB 3.48Å; Y48-A126 HydrophobicContact CG-CB 4.26Å; V62-A126 HydrophobicContact CG1-CB 3.49Å; V62-A126 VanDerWaalsContact CG1-CB 3.49Å; I83-A126 HydrophobicContact CD1-CB 4.45Å; I103-A126 HydrophobicContact CD1-CB 4.36Å; D122-A126 VanDerWaalsContact O-CB 3.28Å; D122-A126 WeakPolarHBondContact O-CB 3.12Å; D122-A126 PolarHBondContact O-N 3.32Å; I123-A126 PolarHBondContact O-N 2.81Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.24Å; A126-N129 PolarHBondContact O-N 3.44Å; A126-L130 VanDerWaalsContact O-CB 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.44Å; A126-L130 WeakPolarHBondContact O-CD1 3.33Å; A126-L130 VanDerWaalsContact O-CG 3.29Å; A126-L130 WeakPolarHBondContact O-CG 3.4Å; A126-L130 PolarHBondContact O-N 3.47Å
127	K	98.5	Very high	97.2	Very high	70 Å²	70	63.1 Å²	63.1	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-57.2	-46.3	177.7	-78.9	173.6	-174.2	169.4	0	111.7	K60 I83 I123 E124 E125 E131	K60-K127 HydrophobicContact CD-CB 4.48Å; K60-K127 HydrophobicContact CD-CG 4.14Å; K60-K127 PolarHBondContact NZ-O 2.95Å; I83-K127 HydrophobicContact CD1-CG 4.48Å; I123-K127 HydrophobicContact CG2-CD 4.23Å; I123-K127 WeakPolarHBondContact O-CB 3.37Å; I123-K127 VanDerWaalsContact O-CG 3.29Å; I123-K127 WeakPolarHBondContact O-CG 3.33Å; I123-K127 PolarHBondContact O-N 3.27Å; E124-K127 PolarHBondContact O-N 3.45Å; E124-K127 WeakPolarHBondContact OE1-CD 3.48Å; E124-K127 IonicContact OE1-NZ 2.84Å; E124-K127 PolarHBondContact OE1-NZ 3.14Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 2.81Å; K127-E131 WeakPolarHBondContact O-CG 3.36Å
128	R	98.4	Very high	97.3	Very high	163 Å²	163	61.3 Å²	61.3	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-67.5	-49.1	179.2	-70.8	-173.7	-60.2	148.9	2.5	112	E124 E125 A126 L130 E131	E124-R128 WeakPolarHBondContact O-CG 3.28Å; E124-R128 PolarHBondContact O-N 3.4Å; E124-R128 VanDerWaalsContact O-N 3.07Å; E125-R128 PolarHBondContact O-N 2.93Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.24Å; R128-L130 VanDerWaalsContact C-N 3.28Å; R128-L130 PolarHBondContact O-N 3.49Å; R128-E131 WeakPolarHBondContact O-CB 3.42Å; R128-E131 PolarHBondContact O-N 3.25Å; R128-E131 VanDerWaalsContact O-N 3.12Å
129	N	98.3	Very high	97.2	Very high	40 Å²	40	64.8 Å²	64.8	21%	0.214	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-32.2	-176.2	-73.2	-24	0	0	0	112.4	Y48 E125 A126 E131 L132 H135	Y48-N129 HydrophobicContact CD2-CB 4.41Å; Y48-N129 HydrophobicContact CE1-CB 4.17Å; Y48-N129 HydrophobicContact CE2-CB 3.73Å; E125-N129 WeakPolarHBondContact CG-ND2 3.48Å; E125-N129 WeakPolarHBondContact O-CB 3.45Å; E125-N129 PolarHBondContact O-N 3.44Å; E125-N129 PolarHBondContact O-ND2 2.91Å; A126-N129 PolarHBondContact O-N 3.44Å; N129-E131 PolarHBondContact O-N 3Å; N129-L132 WeakPolarHBondContact O-CB 3.46Å; N129-L132 WeakPolarHBondContact O-CG 3.49Å; N129-L132 PolarHBondContact O-N 2.68Å; N129-H135 PolarHBondContact O-ND1 3.15Å
130	L	98.3	Very high	97.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.8	177.3	-75	166.7	0	0	0	114.1	Y48 G49 W50 K60 V100 A126 R128 L132 H135 I136	Y48-L130 HydrophobicContact CD2-CD1 4.22Å; Y48-L130 HydrophobicContact CD2-CD2 3.84Å; Y48-L130 HydrophobicContact CD2-CG 3.72Å; Y48-L130 HydrophobicContact CE2-CD2 4.16Å; Y48-L130 HydrophobicContact CE2-CG 4.22Å; G49-L130 WeakPolarHBondContact O-CD1 3.11Å; W50-L130 HydrophobicContact CD2-CD2 4.32Å; W50-L130 HydrophobicContact CH2-CB 4.27Å; W50-L130 HydrophobicContact CZ2-CB 3.92Å; W50-L130 HydrophobicContact CZ2-CD2 3.95Å; W50-L130 HydrophobicContact CZ2-CG 4.4Å; K60-L130 HydrophobicContact CB-CD1 3.74Å; K60-L130 HydrophobicContact CD-CB 4.11Å; K60-L130 HydrophobicContact CD-CD1 3.97Å; K60-L130 HydrophobicContact CG-CB 4.42Å; K60-L130 HydrophobicContact CG-CD1 3.73Å; V100-L130 HydrophobicContact CB-CD2 4.43Å; V100-L130 HydrophobicContact CG2-CD2 4.2Å; A126-L130 VanDerWaalsContact O-CB 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.44Å; A126-L130 WeakPolarHBondContact O-CD1 3.33Å; A126-L130 VanDerWaalsContact O-CG 3.29Å; A126-L130 WeakPolarHBondContact O-CG 3.4Å; A126-L130 PolarHBondContact O-N 3.47Å; R128-L130 VanDerWaalsContact C-N 3.28Å; R128-L130 PolarHBondContact O-N 3.49Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-H135 HydrophobicContact CD2-CB 4.19Å; L130-I136 WeakPolarHBondContact O-CG1 3.43Å
131	E	97.7	Very high	97.1	Very high	111 Å²	111	68.8 Å²	68.8	52%	0.519	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.6	171.5	-63.3	-59	147.2	0	0	113.1	K60 K127 R128 N129 I136	K60-E131 VanDerWaalsContact CE-OE1 3.31Å; K60-E131 WeakPolarHBondContact CE-OE1 3.35Å; K60-E131 IonicContact NZ-OE1 2.71Å; K60-E131 PolarHBondContact NZ-OE1 3.22Å; K127-E131 WeakPolarHBondContact O-CG 3.36Å; R128-E131 WeakPolarHBondContact O-CB 3.42Å; R128-E131 PolarHBondContact O-N 3.25Å; R128-E131 VanDerWaalsContact O-N 3.12Å; N129-E131 PolarHBondContact O-N 3Å; E131-I136 VanDerWaalsContact O-CD1 3.26Å; E131-I136 WeakPolarHBondContact O-CD1 3.48Å
132	L	97.4	Very high	96.9	Very high	69 Å²	69	69.2 Å²	69.2	36%	0.361	33%	0.331	S	S	.	.	S	Bend	trans	-65.9	137.1	173.5	-63.8	173.9	0	0	0	109.9	N129 L130 E134 H135 I136	N129-L132 WeakPolarHBondContact O-CB 3.46Å; N129-L132 WeakPolarHBondContact O-CG 3.49Å; N129-L132 PolarHBondContact O-N 2.68Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 HydrophobicContact CB-CG 4.46Å; L132-E134 PolarHBondContact O-N 3.11Å; L132-E134 VanDerWaalsContact O-N 3.15Å; L132-H135 WeakPolarHBondContact O-CA 3.44Å; L132-H135 WeakPolarHBondContact O-CB 3.05Å; L132-H135 PolarHBondContact O-N 2.8Å; L132-I136 PolarHBondContact O-N 3.43Å
133	P	96.8	Very high	96.7	Very high	101 Å²	101	71 Å²	71	66%	0.656	34%	0.339	S	S	*	.	H	α-helix	trans	-54.1	-38.4	-174.6	-28.3	35.4	0	0	0	114.4	H135 K137	P133-H135 PolarHBondContact O-N 3Å; P133-K137 PolarHBondContact O-N 3.24Å
134	E	95.6	Very high	96.4	Very high	94 Å²	94	71 Å²	71	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-22.1	177.4	63.4	-89.3	-154.4	0	0	113.7	L132 K137	L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 HydrophobicContact CB-CG 4.46Å; L132-E134 PolarHBondContact O-N 3.11Å; L132-E134 VanDerWaalsContact O-N 3.15Å; E134-K137 WeakPolarHBondContact O-CE 3.36Å; E134-K137 WeakPolarHBondContact O-CG 3.46Å
135	H	97	Very high	95.6	Very high	28 Å²	28	74.6 Å²	74.6	13%	0.13	35%	0.348	C	S	.	.	H	α-helix	trans	-96.6	-37.6	179	-61.2	163.1	0	0	0	112	Y48 W50 V100 N129 L130 L132 P133 K137 L138	Y48-H135 PolarHBondContact OH-CE1 2.94Å; Y48-H135 VanDerWaalsContact OH-CE1 3.27Å; W50-H135 PolarHBondContact NE1-O 3.19Å; V100-H135 HydrophobicContact CG1-CB 4.08Å; V100-H135 WeakPolarHBondContact CG1-CD2 3.44Å; N129-H135 PolarHBondContact O-ND1 3.15Å; L130-H135 HydrophobicContact CD2-CB 4.19Å; L132-H135 WeakPolarHBondContact O-CA 3.44Å; L132-H135 WeakPolarHBondContact O-CB 3.05Å; L132-H135 PolarHBondContact O-N 2.8Å; P133-H135 PolarHBondContact O-N 3Å; H135-K137 VanDerWaalsContact C-N 3.29Å; H135-K137 PolarHBondContact O-N 3Å; H135-L138 WeakPolarHBondContact O-CB 3.4Å; H135-L138 PolarHBondContact O-N 3.03Å; H135-L138 VanDerWaalsContact O-N 3.16Å
136	I	96.1	Very high	94.1	Very high	63 Å²	63	75.2 Å²	75.2	32%	0.323	36%	0.361	S	S	.	.	H	α-helix	trans	-56.7	-44.8	176.6	-69.2	178.2	0	0	0	110.7	L130 E131 L132 L138 K139	L130-I136 WeakPolarHBondContact O-CG1 3.43Å; E131-I136 VanDerWaalsContact O-CD1 3.26Å; E131-I136 WeakPolarHBondContact O-CD1 3.48Å; L132-I136 PolarHBondContact O-N 3.43Å; I136-L138 PolarHBondContact O-N 3.25Å; I136-L138 VanDerWaalsContact O-N 3.08Å; I136-K139 WeakPolarHBondContact O-CB 3.39Å; I136-K139 PolarHBondContact O-N 2.9Å
137	K	95.8	Very high	92	Very high	135 Å²	135	76.4 Å²	76.4	59%	0.587	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-58.3	-25.5	-178.8	68.9	-178.4	-175.7	-177.7	0	113.9	P133 E134 H135 K139 E140	P133-K137 PolarHBondContact O-N 3.24Å; E134-K137 WeakPolarHBondContact O-CE 3.36Å; E134-K137 WeakPolarHBondContact O-CG 3.46Å; H135-K137 VanDerWaalsContact C-N 3.29Å; H135-K137 PolarHBondContact O-N 3Å; K137-K139 PolarHBondContact O-N 3.44Å; K137-E140 PolarHBondContact O-N 3.42Å; K137-E140 VanDerWaalsContact O-N 3.08Å
138	L	96.2	Very high	89.7	Confident	23 Å²	23	76.7 Å²	76.7	12%	0.12	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-70.1	-20	178	-63.8	172.1	0	0	0	112.4	P5 V98 V100 H135 I136 E140 D141	P5-L138 HydrophobicContact CB-CD1 4.08Å; P5-L138 HydrophobicContact CG-CD1 4.34Å; P5-L138 HydrophobicContact CG-CD2 4.23Å; V98-L138 HydrophobicContact CG1-CB 4.43Å; V98-L138 HydrophobicContact CG1-CD1 4.46Å; V100-L138 HydrophobicContact CB-CD1 4.32Å; V100-L138 HydrophobicContact CG1-CD1 3.82Å; V100-L138 HydrophobicContact CG2-CD1 3.65Å; H135-L138 WeakPolarHBondContact O-CB 3.4Å; H135-L138 PolarHBondContact O-N 3.03Å; H135-L138 VanDerWaalsContact O-N 3.16Å; I136-L138 PolarHBondContact O-N 3.25Å; I136-L138 VanDerWaalsContact O-N 3.08Å; L138-E140 PolarHBondContact O-N 3.32Å; L138-D141 WeakPolarHBondContact O-CB 3.46Å; L138-D141 PolarHBondContact O-N 3.18Å
139	K	94.3	Very high	87.2	Confident	89 Å²	89	74 Å²	74	39%	0.387	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-63.4	-26.3	170.1	-167.4	-174.4	176.8	-175.5	0	111.8	W50 I58 I136 K137	W50-K139 HydrophobicContact CD2-CB 4.02Å; W50-K139 HydrophobicContact CD2-CG 4.23Å; W50-K139 HydrophobicContact CE3-CB 4.3Å; W50-K139 HydrophobicContact CE3-CD 4.21Å; W50-K139 HydrophobicContact CE3-CG 4.04Å; W50-K139 HydrophobicContact CG-CB 4.46Å; W50-K139 HydrophobicContact CH2-CB 4.5Å; W50-K139 HydrophobicContact CH2-CD 4.1Å; W50-K139 HydrophobicContact CZ2-CB 4.22Å; W50-K139 HydrophobicContact CZ3-CD 3.86Å; W50-K139 HydrophobicContact CZ3-CG 4.2Å; I58-K139 HydrophobicContact CB-CG 3.97Å; I58-K139 HydrophobicContact CD1-CG 4.29Å; I58-K139 WeakPolarHBondContact CD1-O 3.26Å; I58-K139 HydrophobicContact CG2-CG 3.7Å; I58-K139 WeakPolarHBondContact O-CE 3.43Å; I136-K139 WeakPolarHBondContact O-CB 3.39Å; I136-K139 PolarHBondContact O-N 2.9Å; K137-K139 PolarHBondContact O-N 3.44Å
140	E	92.4	Very high	84.6	Confident	138 Å²	138	77.9 Å²	77.9	65%	0.645	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-95	2	-177.2	-58.4	-177.8	176.5	0	0	113.1	K137 L138	K137-E140 PolarHBondContact O-N 3.42Å; K137-E140 VanDerWaalsContact O-N 3.08Å; L138-E140 PolarHBondContact O-N 3.32Å
141	D	95.3	Very high	81.8	Confident	58 Å²	58	83.4 Å²	83.4	31%	0.31	45%	0.454	S	S	.	.			trans	-60	140	-177.3	-165	-74.6	0	0	0	111.9	F7 L138 F143 F144	F7-D141 HydrophobicContact CE1-CB 4.35Å; L138-D141 WeakPolarHBondContact O-CB 3.46Å; L138-D141 PolarHBondContact O-N 3.18Å; D141-F143 HydrophobicContact CB-CB 4.45Å; D141-F143 PolarHBondContact O-N 3.2Å; D141-F143 WeakPolarHBondContact OD1-CB 3.28Å; D141-F143 PolarHBondContact OD1-N 3.25Å; D141-F144 PolarHBondContact O-N 3.46Å; D141-F144 VanDerWaalsContact O-N 3.08Å
142	N	93.8	Very high	79.1	Confident	114 Å²	114	86.5 Å²	86.5	61%	0.61	47%	0.47	S	S	*	.	H	α-helix	trans	-58.7	-21.6	179.3	-74	-32.4	0	0	0	112.9	F144 R145 A146	N142-F144 PolarHBondContact O-N 2.92Å; N142-R145 PolarHBondContact O-N 3.4Å; N142-A146 PolarHBondContact O-N 3.08Å; N142-A146 VanDerWaalsContact O-N 3.15Å
143	F	95.1	Very high	76.4	Confident	42 Å²	42	89.6 Å²	89.6	18%	0.184	49%	0.492	C	S	.	.	H	α-helix	trans	-47.9	-43.3	171.3	177.2	-107.1	0	0	0	112.7	F7 S8 R9 V97 V98 D141	F7-F143 HydrophobicContact CB-CD2 4.19Å; F7-F143 HydrophobicContact CB-CE2 4.02Å; F7-F143 HydrophobicContact CB-CZ 4.21Å; F7-F143 HydrophobicContact CD1-CB 3.73Å; F7-F143 AromaticContact CD1-CD1 3.75Å; F7-F143 HydrophobicContact CD1-CD1 3.75Å; F7-F143 AromaticContact CD1-CD2 3.9Å; F7-F143 HydrophobicContact CD1-CD2 3.9Å; F7-F143 HydrophobicContact CD1-CE1 4.29Å; F7-F143 HydrophobicContact CD1-CE2 4.45Å; F7-F143 AromaticContact CD1-CG 3.51Å; F7-F143 HydrophobicContact CD1-CG 3.51Å; F7-F143 HydrophobicContact CE1-CB 3.94Å; F7-F143 HydrophobicContact CE1-CD1 4.46Å; F7-F143 HydrophobicContact CE1-CG 4.21Å; F7-F143 HydrophobicContact CG-CG 4.49Å; S8-F143 WeakPolarHBondContact O-CZ 3.35Å; R9-F143 HydrophobicContact CB-CZ 4.28Å; R9-F143 PolarHBondContact NH2-O 2.66Å; V97-F143 WeakPolarHBondContact O-CE1 3.37Å; V98-F143 HydrophobicContact CG2-CD1 3.64Å; V98-F143 HydrophobicContact CG2-CE1 3.99Å; D141-F143 HydrophobicContact CB-CB 4.45Å; D141-F143 PolarHBondContact O-N 3.2Å; D141-F143 WeakPolarHBondContact OD1-CB 3.28Å; D141-F143 PolarHBondContact OD1-N 3.25Å
144	F	93.1	Very high	73.5	Confident	10 Å²	10	91.3 Å²	91.3	4%	0.044	50%	0.501	C	S	.	.	H	α-helix	trans	-77.2	-21.1	179.7	-69.1	-63.1	0	0	0	113.6	W50 C52 I58 V98 D141 N142 T147	W50-F144 HydrophobicContact CB-CE2 3.88Å; W50-F144 HydrophobicContact CB-CZ 3.65Å; C52-F144 HydrophobicContact CB-CD1 3.52Å; C52-F144 HydrophobicContact CB-CE1 3.81Å; I58-F144 HydrophobicContact CD1-CB 3.54Å; I58-F144 HydrophobicContact CD1-CD1 4.42Å; I58-F144 HydrophobicContact CD1-CD2 3.75Å; I58-F144 HydrophobicContact CD1-CG 3.67Å; I58-F144 HydrophobicContact CG1-CB 4.2Å; I58-F144 HydrophobicContact CG1-CD1 4.39Å; I58-F144 HydrophobicContact CG1-CD2 4.44Å; I58-F144 HydrophobicContact CG1-CG 4.12Å; I58-F144 HydrophobicContact CG2-CD2 4.35Å; I58-F144 HydrophobicContact CG2-CE1 4.46Å; I58-F144 HydrophobicContact CG2-CE2 4.12Å; I58-F144 HydrophobicContact CG2-CZ 4.16Å; V98-F144 HydrophobicContact CB-CE2 4.21Å; V98-F144 HydrophobicContact CB-CZ 4.02Å; V98-F144 HydrophobicContact CG2-CD2 4.43Å; V98-F144 HydrophobicContact CG2-CE1 4.3Å; V98-F144 HydrophobicContact CG2-CE2 3.49Å; V98-F144 VanDerWaalsContact CG2-CE2 3.49Å; V98-F144 HydrophobicContact CG2-CZ 3.42Å; V98-F144 VanDerWaalsContact CG2-CZ 3.42Å; D141-F144 PolarHBondContact O-N 3.46Å; D141-F144 VanDerWaalsContact O-N 3.08Å; N142-F144 PolarHBondContact O-N 2.92Å; F144-T147 PolarHBondContact O-OG1 3.21Å
145	R	81.1	Confident	70.8	Confident	174 Å²	174	92.1 Å²	92.1	66%	0.657	52%	0.517	S	S	*	.	H	α-helix	trans	-82.1	-28.2	179.6	-63.7	-178.5	177.1	-171.2	-1	113	N142 T147 A148	N142-R145 PolarHBondContact O-N 3.4Å; R145-T147 PolarHBondContact O-N 3.38Å; R145-T147 VanDerWaalsContact O-N 3.1Å; R145-A148 PolarHBondContact O-N 3.37Å
146	A	66.4	Low	68.2	Low	57 Å²	57	98.8 Å²	98.8	47%	0.471	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-9	-176.4	0	0	0	0	0	114.6	N142	N142-A146 PolarHBondContact O-N 3.08Å; N142-A146 VanDerWaalsContact O-N 3.15Å
147	T	55.5	Low	65.5	Low	25 Å²	25	105 Å²	105	15%	0.153	58%	0.578	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.6	-25.1	175.9	52.5	0	0	0	0	113.4	G54 F144 R145 S149	G54-T147 PolarHBondContact O-OG1 3.37Å; F144-T147 PolarHBondContact O-OG1 3.21Å; R145-T147 PolarHBondContact O-N 3.38Å; R145-T147 VanDerWaalsContact O-N 3.1Å; T147-S149 VanDerWaalsContact C-N 3.28Å; T147-S149 PolarHBondContact O-N 2.87Å
148	A	50.4	Low	63.1	Low	76 Å²	76	106.9 Å²	106.9	63%	0.628	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-16.1	-172.2	0	0	0	0	0	114.4	R145	R145-A148 PolarHBondContact O-N 3.37Å
149	S	45	Very low	60.5	Low	107 Å²	107	113.5 Å²	113.5	75%	0.748	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-3.3	-168.3	-157.1	0	0	0	0	116	T147	T147-S149 VanDerWaalsContact C-N 3.28Å; T147-S149 PolarHBondContact O-N 2.87Å
150	T	43	Very low	57.9	Low	121 Å²	121	116.8 Å²	116.8	74%	0.742	65%	0.647	S	S	*	*	S	Bend	trans	-99	-3.8	-170.9	-41.9	0	0	0	0	114	M152	T150-M152 PolarHBondContact O-N 3.14Å
151	S	40.9	Very low	55.5	Low	116 Å²	116	113.4 Å²	113.4	81%	0.811	65%	0.65	S	S	*	*	S	Bend	trans	-92.3	18.9	-177.6	-55.3	0	0	0	0	115.2
152	M	41.2	Very low	53	Low	177 Å²	177	123.7 Å²	123.7	87%	0.872	70%	0.695	S	S	*	*	S	Bend	trans	-138.5	59.1	176.7	-74.1	-164.7	179.1	0	0	113	T150	T150-M152 PolarHBondContact O-N 3.14Å
153	T	40	Very low	50.9	Low	134 Å²	134	124.2 Å²	124.2	82%	0.822	70%	0.699	S	S	*	*			trans	-159.1	89.6	149.5	-47.9	0	0	0	0	110.4
154	T	35.8	Very low	48.6	Very low	137 Å²	137	128.5 Å²	128.5	84%	0.84	73%	0.726	S	S	*	*	S	Bend	trans	-149.7	118.2	142.8	-28.7	0	0	0	0	110.5
155	S	39.4	Very low	46.1	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	76%	0.764	S	S	*	*			trans	73.6	81.7	158.6	-64.4	0	0	0	0	119.4
156	N	40.7	Very low	44.1	Very low	168 Å²	168	132.8 Å²	132.8	90%	0.898	77%	0.771	S	S	*	*			trans	-134.5	89.8	141.6	-141.6	9.5	0	0	0	109.8
157	K	40.4	Very low	42.7	Very low	193 Å²	193	137.5 Å²	137.5	84%	0.839	79%	0.789	S	S	*	*			trans	-179.5	95	151.9	-116	-179.7	176.5	178.8	0	111
158	I	44.4	Very low	41.8	Very low	175 Å²	175	145 Å²	145	90%	0.897	83%	0.832	S	S	*	*			trans	-128.6	92.1	137.9	-56.1	-179.7	0	0	0	105.7
159	M	42	Very low	41.2	Very low	162 Å²	162	149.9 Å²	149.9	80%	0.798	85%	0.846	S	S	*	*			trans	-130.2	140.1	156	-86.7	-159.7	-49.5	0	0	107.5
160	N	39.8	Very low	40.9	Very low	158 Å²	158	153.2 Å²	153.2	85%	0.845	85%	0.854	S	S	*	*			trans	87.3	129.1	175.7	-54.9	-4	0	0	0	114.3
161	G	43.2	Very low	40.8	Very low	68 Å²	68	155.9 Å²	155.9	70%	0.701	86%	0.863	S	S	*	*			cis	168.6	170.6	4.5	0	0	0	0	0	111
162	H	41.4	Very low	40.7	Very low	273 Å²	273	159.5 Å²	159.5	100%	1.264	87%	0.868	S	S	*	*			trans	84.7	0	178.6	-61.6	-35.6	0	0	0	117.6

Retrieved 162 of 162 residues in 67.7 ms (Link to these results)

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