A0A087XZS8_POEFO Loading...

Ras-related protein Rab-25

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB25 regulates epithelial cell differentiation, proliferation and survival, thereby playing key roles in tumorigenesis. Promotes invasive migration of cells in which it functions to localize and maintain integrin alpha-V/beta-1 at the tips of extending pseudopodia. Involved in the regulation of epithelial morphogenesis through the control of CLDN4 expression and localization at tight junctions. May selectively regulate the apical recycling pathway. Together with MYO5B regulates transcytosis.

AlphaFold DB , UniProt , Accession A0A087XZS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 209 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	34.1	Very low	70.4	Confident	247 Å²	247	81.1 Å²	81.1	100%	1.217	48%	0.484	S	S	*	.				0	90.4	0	-71.2	160.5	78.6	0	0	106.2
2	G	41.8	Very low	72.5	Confident	77 Å²	77	77.4 Å²	77.4	79%	0.794	46%	0.457	S	S	*	.			trans	-72.4	133.1	-179.2	0	0	0	0	0	109	D4	G2-D4 PolarHBondContact O-N 2.99Å; G2-D4 VanDerWaalsContact O-N 3.08Å
3	S	43.9	Very low	74.3	Confident	105 Å²	105	71.6 Å²	71.6	73%	0.734	42%	0.423	S	S	*	.			trans	-52.5	113.5	170.5	44.8	0	0	0	0	108.8	E5	S3-E5 PolarHBondContact O-N 3.31Å
4	D	56.9	Low	75.9	Confident	120 Å²	120	66.5 Å²	66.5	64%	0.642	39%	0.393	S	S	*	.			trans	-63.4	91.5	162.7	-101.8	-35.3	0	0	0	105.7	G2 A6 K60	G2-D4 PolarHBondContact O-N 2.99Å; G2-D4 VanDerWaalsContact O-N 3.08Å; D4-A6 PolarHBondContact O-N 3.09Å; D4-K60 IonicContact OD1-NZ 3.94Å; D4-K60 PolarHBondContact OD1-NZ 2.8Å
5	E	61.1	Low	77.3	Confident	114 Å²	114	62.1 Å²	62.1	53%	0.533	37%	0.367	S	S	.	.			trans	-52.2	129.6	165.1	-74.7	-178.8	161.4	0	0	107.2	S3 Y7	S3-E5 PolarHBondContact O-N 3.31Å; E5-Y7 WeakPolarHBondContact O-CD1 3.21Å; E5-Y7 PolarHBondContact O-N 3.4Å; E5-Y7 VanDerWaalsContact O-N 3.13Å
6	A	81.4	Confident	78.4	Confident	91 Å²	91	58.2 Å²	58.2	75%	0.752	34%	0.344	S	S	*	.			trans	-58.7	121.7	179.3	0	0	0	0	0	109.4	D4	D4-A6 PolarHBondContact O-N 3.09Å
7	Y	85.8	Confident	79.4	Confident	53 Å²	53	54.8 Å²	54.8	21%	0.208	32%	0.324	C	S	.	.			trans	-118.8	148.9	177.6	54.7	-91.7	0	0	0	110.9	E5 V10 K60 L190	E5-Y7 WeakPolarHBondContact O-CD1 3.21Å; E5-Y7 PolarHBondContact O-N 3.4Å; E5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-V10 HydrophobicContact CD2-CG2 3.7Å; Y7-V10 HydrophobicContact CE2-CG2 3.14Å; Y7-K60 HydrophobicContact CD1-CB 4.07Å; Y7-K60 HydrophobicContact CD1-CD 3.63Å; Y7-K60 HydrophobicContact CD1-CG 4.47Å; Y7-K60 HydrophobicContact CD2-CB 3.86Å; Y7-K60 HydrophobicContact CD2-CD 4.33Å; Y7-K60 HydrophobicContact CE1-CD 3.41Å; Y7-K60 VanDerWaalsContact CE1-CD 3.41Å; Y7-K60 HydrophobicContact CE2-CB 4.3Å; Y7-K60 HydrophobicContact CE2-CD 4.08Å; Y7-K60 HydrophobicContact CG-CB 3.75Å; Y7-K60 HydrophobicContact CG-CD 4.13Å; Y7-L190 HydrophobicContact CD2-CD1 3.7Å; Y7-L190 HydrophobicContact CD2-CG 4.4Å; Y7-L190 HydrophobicContact CE2-CD1 3.07Å; Y7-L190 HydrophobicContact CE2-CG 3.96Å
8	N	89.5	Confident	80.2	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.273	32%	0.316	S	S	.	.	S	Bend	trans	-87.1	-35.6	179.8	-54.8	105.2	0	0	0	111.7	F57 Y58 L190	N8-F57 HydrophobicContact CB-CB 4.46Å; N8-F57 HydrophobicContact CB-CD1 4.14Å; N8-Y58 PolarHBondContact N-O 3.22Å; N8-Y58 PolarHBondContact OD1-N 3.4Å; N8-L190 PolarHBondContact O-N 2.84Å
9	F	91.3	Very high	80.9	Confident	18 Å²	18	53.2 Å²	53.2	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.5	-174.5	-60.5	-83.2	0	0	0	112.2	F11 F57 Y58 I59 K60 H172 V175 V188 T189	F9-F11 HydrophobicContact CB-CD1 4.27Å; F9-F11 HydrophobicContact CB-CE1 3.63Å; F9-F11 HydrophobicContact CB-CE2 4.46Å; F9-F11 HydrophobicContact CB-CZ 3.74Å; F9-F11 AromaticContact CD1-CE1 4Å; F9-F11 HydrophobicContact CD1-CE1 4Å; F9-F11 HydrophobicContact CD1-CZ 4.09Å; F9-F11 HydrophobicContact CG-CE1 4.05Å; F9-F11 AromaticContact CG-CZ 3.92Å; F9-F11 HydrophobicContact CG-CZ 3.92Å; F9-F57 HydrophobicContact CD2-CB 4.26Å; F9-F57 HydrophobicContact CE2-CB 4.12Å; F9-F57 AromaticContact CE2-CD1 3.71Å; F9-F57 HydrophobicContact CE2-CD1 3.71Å; F9-F57 HydrophobicContact CE2-CE1 4.29Å; F9-F57 AromaticContact CE2-CG 3.92Å; F9-F57 HydrophobicContact CE2-CG 3.92Å; F9-Y58 PolarHBondContact N-O 3.45Å; F9-I59 HydrophobicContact CB-CG1 4.27Å; F9-I59 HydrophobicContact CD2-CG1 4.25Å; F9-K60 PolarHBondContact O-N 3.42Å; F9-H172 AromaticContact CD2-CD2 3.89Å; F9-H172 AromaticContact CE2-CD2 3.46Å; F9-H172 VanDerWaalsContact CE2-CD2 3.46Å; F9-H172 WeakPolarHBondContact CE2-CD2 3.19Å; F9-H172 AromaticContact CE2-NE2 3.4Å; F9-H172 WeakPolarHBondContact CE2-NE2 3.24Å; F9-H172 AromaticContact CZ-CD2 3.73Å; F9-H172 AromaticContact CZ-NE2 3.65Å; F9-V175 HydrophobicContact CE1-CG1 4.14Å; F9-V188 WeakPolarHBondContact CA-O 3.5Å; F9-T189 HydrophobicContact CD1-CG2 4.08Å; F9-T189 HydrophobicContact CE1-CG2 3.65Å; F9-T189 WeakPolarHBondContact CE1-OG1 3.2Å; F9-T189 HydrophobicContact CZ-CG2 4.37Å
10	V	93.5	Very high	81.5	Confident	16 Å²	16	53 Å²	53	10%	0.097	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.2	165.8	-169.8	0	0	0	0	109.3	Y7 K60 Q62 V188	Y7-V10 HydrophobicContact CD2-CG2 3.7Å; Y7-V10 HydrophobicContact CE2-CG2 3.14Å; V10-K60 WeakPolarHBondContact CA-O 3.4Å; V10-K60 HydrophobicContact CG2-CB 4.44Å; V10-Q62 HydrophobicContact CG1-CG 3.81Å; V10-V188 HydrophobicContact CB-CB 4.14Å; V10-V188 HydrophobicContact CG2-CB 4.42Å; V10-V188 PolarHBondContact N-O 3.17Å; V10-V188 PolarHBondContact O-N 3.04Å
11	F	95.1	Very high	82.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.8	176.9	-61.1	-22.6	0	0	0	110.3	F9 I59 K60 Q62 V84 L168 I171 H172 V175 A187	F9-F11 HydrophobicContact CB-CD1 4.27Å; F9-F11 HydrophobicContact CB-CE1 3.63Å; F9-F11 HydrophobicContact CB-CE2 4.46Å; F9-F11 HydrophobicContact CB-CZ 3.74Å; F9-F11 AromaticContact CD1-CE1 4Å; F9-F11 HydrophobicContact CD1-CE1 4Å; F9-F11 HydrophobicContact CD1-CZ 4.09Å; F9-F11 HydrophobicContact CG-CE1 4.05Å; F9-F11 AromaticContact CG-CZ 3.92Å; F9-F11 HydrophobicContact CG-CZ 3.92Å; F11-I59 HydrophobicContact CB-CG2 4.47Å; F11-I59 HydrophobicContact CD2-CD1 4.48Å; F11-I59 HydrophobicContact CD2-CG2 3.43Å; F11-I59 VanDerWaalsContact CD2-CG2 3.43Å; F11-I59 HydrophobicContact CE2-CD1 3.84Å; F11-I59 HydrophobicContact CE2-CG1 4.28Å; F11-I59 HydrophobicContact CE2-CG2 3.76Å; F11-I59 HydrophobicContact CG-CG2 4.03Å; F11-K60 PolarHBondContact N-O 3.05Å; F11-K60 VanDerWaalsContact N-O 3.1Å; F11-Q62 PolarHBondContact O-N 3.48Å; F11-V84 HydrophobicContact CB-CG2 3.94Å; F11-V84 HydrophobicContact CD1-CG2 4.39Å; F11-V84 HydrophobicContact CG-CG2 4.36Å; F11-L168 HydrophobicContact CB-CD2 4.04Å; F11-L168 HydrophobicContact CD2-CD2 3.87Å; F11-L168 HydrophobicContact CG-CD2 4.49Å; F11-I171 HydrophobicContact CD1-CG2 3.89Å; F11-I171 HydrophobicContact CD2-CB 4.06Å; F11-I171 HydrophobicContact CD2-CG2 3.71Å; F11-I171 HydrophobicContact CE1-CG2 3.95Å; F11-I171 HydrophobicContact CE2-CB 4.07Å; F11-I171 HydrophobicContact CE2-CG2 3.75Å; F11-I171 HydrophobicContact CG-CG2 3.81Å; F11-I171 HydrophobicContact CZ-CG2 3.9Å; F11-H172 HydrophobicContact CE2-CB 3.98Å; F11-H172 HydrophobicContact CZ-CB 4.13Å; F11-V175 HydrophobicContact CE1-CG2 4.36Å; F11-A187 HydrophobicContact CD1-CB 3.78Å; F11-A187 HydrophobicContact CE1-CB 3.73Å
12	K	95.2	Very high	85.2	Confident	37 Å²	37	39.3 Å²	39.3	16%	0.161	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122	171.7	-178.4	176.2	171.4	-176.4	0	109.9	Q62 Y79 R81 A83 V84 G85	K12-Q62 CarbonylContact C-O 3.39Å; K12-Q62 WeakPolarHBondContact CA-O 3.45Å; K12-Y79 WeakPolarHBondContact CE-O 3.47Å; K12-Y79 PolarHBondContact NZ-O 3.44Å; K12-R81 PolarHBondContact NZ-O 2.87Å; K12-A83 HydrophobicContact CG-CB 4.39Å; K12-V84 WeakPolarHBondContact O-CG2 3.29Å; K12-V84 PolarHBondContact O-N 3.4Å; K12-G85 PolarHBondContact O-N 2.93Å
13	V	96.6	Very high	87.8	Confident	2 Å²	2	36 Å²	36	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	178.8	-178	0	0	0	0	109.5	Q62 I63 W64 G85 L87 L168 I171	V13-Q62 PolarHBondContact N-O 3.31Å; V13-I63 HydrophobicContact CB-CG1 4.41Å; V13-I63 WeakPolarHBondContact O-CA 3.5Å; V13-W64 PolarHBondContact O-N 3.12Å; V13-G85 VanDerWaalsContact CA-O 3.27Å; V13-G85 WeakPolarHBondContact CA-O 3.29Å; V13-L87 HydrophobicContact CG1-CD1 3.55Å; V13-L168 HydrophobicContact CG2-CD2 3.98Å; V13-I171 HydrophobicContact CG2-CD1 4.43Å
14	V	96.4	Very high	90.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.3	175.8	-64.1	0	0	0	0	110.9	I16 W64 Y80 A83 G85 A86 L87 L108	V14-I16 HydrophobicContact CB-CG2 4.42Å; V14-I16 HydrophobicContact CG2-CG2 4.16Å; V14-W64 WeakPolarHBondContact CA-O 3.29Å; V14-W64 HydrophobicContact CG1-CB 4.16Å; V14-Y80 HydrophobicContact CG1-CD1 4.43Å; V14-Y80 HydrophobicContact CG2-CD1 4.33Å; V14-A83 HydrophobicContact CG1-CB 3.78Å; V14-A83 HydrophobicContact CG2-CB 4.12Å; V14-G85 PolarHBondContact N-O 3.01Å; V14-A86 HydrophobicContact CG2-CB 3.75Å; V14-A86 CarbonylContact O-C 3.56Å; V14-A86 VanDerWaalsContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CA 3.36Å; V14-L87 PolarHBondContact O-N 3.18Å; V14-L108 HydrophobicContact CG2-CD1 3.94Å
15	L	96.8	Very high	92.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.1	170	-51	-177.2	0	0	0	108.6	K23 L27 I63 W64 D65 T66 L87 F164	L15-K23 HydrophobicContact CB-CB 4.12Å; L15-K23 HydrophobicContact CB-CD 4.21Å; L15-K23 HydrophobicContact CB-CG 4.42Å; L15-K23 HydrophobicContact CD1-CB 4.37Å; L15-K23 WeakPolarHBondContact CD1-O 3.34Å; L15-L27 HydrophobicContact CD1-CB 3.78Å; L15-I63 HydrophobicContact CD1-CG2 4.18Å; L15-I63 HydrophobicContact CD2-CG2 4.16Å; L15-I63 HydrophobicContact CG-CG2 3.91Å; L15-W64 PolarHBondContact N-O 2.95Å; L15-D65 HydrophobicContact CD1-CB 4.25Å; L15-T66 PolarHBondContact O-N 3.28Å; L15-T66 PolarHBondContact O-OG1 3.27Å; L15-L87 HydrophobicContact CD2-CB 3.72Å; L15-L87 HydrophobicContact CD2-CD1 3.7Å; L15-L87 HydrophobicContact CD2-CD2 4.36Å; L15-L87 HydrophobicContact CD2-CG 4.12Å; L15-F164 HydrophobicContact CD1-CZ 4.38Å; L15-F164 HydrophobicContact CD2-CE1 3.87Å; L15-F164 HydrophobicContact CD2-CZ 3.89Å
16	I	95.4	Very high	93.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	161.1	-176.9	63.5	168.9	0	0	0	111.3	V14 K23 Y80 L87 L88 V89 W104 L108	V14-I16 HydrophobicContact CB-CG2 4.42Å; V14-I16 HydrophobicContact CG2-CG2 4.16Å; I16-K23 VanDerWaalsContact C-CD 3.48Å; I16-Y80 HydrophobicContact CG2-CD1 4.39Å; I16-Y80 HydrophobicContact CG2-CE1 3.5Å; I16-Y80 VanDerWaalsContact CG2-CE1 3.5Å; I16-L87 PolarHBondContact N-O 2.87Å; I16-L88 HydrophobicContact CD1-CB 4.31Å; I16-L88 HydrophobicContact CD1-CD1 3.91Å; I16-L88 HydrophobicContact CG1-CB 4.07Å; I16-L88 HydrophobicContact CG1-CD1 3.76Å; I16-L88 HydrophobicContact CG1-CG 4.48Å; I16-V89 PolarHBondContact O-N 3.38Å; I16-W104 HydrophobicContact CB-CE3 4.42Å; I16-W104 HydrophobicContact CD1-CB 4.36Å; I16-L108 HydrophobicContact CD1-CB 3.88Å; I16-L108 HydrophobicContact CD1-CD1 4.27Å; I16-L108 HydrophobicContact CD1-CD2 3.88Å; I16-L108 HydrophobicContact CD1-CG 4.23Å
17	G	95.2	Very high	94.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	132.5	173.5	-176.8	0	0	0	0	0	112.2	K23 G68	G17-K23 PolarHBondContact O-NZ 3.01Å; G17-G68 WeakPolarHBondContact O-CA 3.49Å
18	E	94.4	Very high	95.1	Very high	37 Å²	37	16 Å²	16	17%	0.173	10%	0.104	C	C	.	.	S	Bend	trans	-59.3	162.5	-174.7	-74.7	-59.7	143.8	0	0	114	V21 K23 T97 S100 R103 W104	E18-V21 HydrophobicContact CB-CG1 3.84Å; E18-V21 WeakPolarHBondContact O-CG1 3.47Å; E18-V21 VanDerWaalsContact O-CG2 3.24Å; E18-V21 WeakPolarHBondContact O-CG2 3.14Å; E18-K23 PolarHBondContact O-NZ 3.34Å; E18-T97 HydrophobicContact CB-CG2 4.18Å; E18-S100 WeakPolarHBondContact OE1-CB 3.39Å; E18-S100 PolarHBondContact OE1-OG 3.37Å; E18-R103 IonicContact OE1-CZ 3.61Å; E18-R103 IonicContact OE1-NH2 2.73Å; E18-R103 PolarHBondContact OE1-NH2 3.31Å; E18-W104 PolarHBondContact OE1-NE1 3.48Å
19	S	92.4	Very high	95.4	Very high	41 Å²	41	15.5 Å²	15.5	29%	0.287	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	138.1	173.8	-168.9	0	0	0	0	110.9	V21 G68	S19-V21 VanDerWaalsContact C-N 3.32Å; S19-V21 PolarHBondContact O-N 2.92Å; S19-G68 PolarHBondContact N-O 2.82Å; S19-G68 VanDerWaalsContact N-O 3.1Å
20	G	92.9	Very high	95.7	Very high	50 Å²	50	14.8 Å²	14.8	52%	0.515	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	2.4	175.6	0	0	0	0	0	116.4	G22 K124	G20-G22 PolarHBondContact O-N 3.48Å; G20-K124 WeakPolarHBondContact O-CE 3.38Å; G20-K124 PolarHBondContact O-NZ 3.22Å
21	V	96.4	Very high	95.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-70.6	-17.7	175.6	-57.3	0	0	0	0	113.4	E18 S19 K23 V89 D91 T97 N123	E18-V21 HydrophobicContact CB-CG1 3.84Å; E18-V21 WeakPolarHBondContact O-CG1 3.47Å; E18-V21 VanDerWaalsContact O-CG2 3.24Å; E18-V21 WeakPolarHBondContact O-CG2 3.14Å; S19-V21 VanDerWaalsContact C-N 3.32Å; S19-V21 PolarHBondContact O-N 2.92Å; V21-K23 HydrophobicContact CG2-CD 4.31Å; V21-K23 HydrophobicContact CG2-CG 3.65Å; V21-V89 HydrophobicContact CB-CG1 4.24Å; V21-V89 HydrophobicContact CG2-CB 3.89Å; V21-V89 HydrophobicContact CG2-CG1 3.84Å; V21-D91 HydrophobicContact CB-CB 4.42Å; V21-D91 HydrophobicContact CG1-CB 4.29Å; V21-T97 HydrophobicContact CG1-CG2 3.85Å; V21-N123 PolarHBondContact O-ND2 3.47Å
22	G	96.3	Very high	95.6	Very high	12 Å²	12	20.9 Å²	20.9	12%	0.124	12%	0.123	C	C	.	.	S	Bend	trans	107	18.1	173.4	0	0	0	0	0	116.2	G20 S24 N25 L26	G20-G22 PolarHBondContact O-N 3.48Å; G22-S24 PolarHBondContact O-N 3.34Å; G22-N25 PolarHBondContact O-N 3.1Å; G22-N25 VanDerWaalsContact O-N 3.17Å; G22-L26 PolarHBondContact O-N 3.33Å
23	K	96.4	Very high	95.6	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-51.8	-50.3	178.1	-56.3	-173.9	-62.9	-76.5	0	113.4	L15 I16 G17 E18 V21 N25 L26 L27 D65 T66 V89	L15-K23 HydrophobicContact CB-CB 4.12Å; L15-K23 HydrophobicContact CB-CD 4.21Å; L15-K23 HydrophobicContact CB-CG 4.42Å; L15-K23 HydrophobicContact CD1-CB 4.37Å; L15-K23 WeakPolarHBondContact CD1-O 3.34Å; I16-K23 VanDerWaalsContact C-CD 3.48Å; G17-K23 PolarHBondContact O-NZ 3.01Å; E18-K23 PolarHBondContact O-NZ 3.34Å; V21-K23 HydrophobicContact CG2-CD 4.31Å; V21-K23 HydrophobicContact CG2-CG 3.65Å; K23-N25 VanDerWaalsContact C-N 3.32Å; K23-N25 PolarHBondContact O-N 3Å; K23-L26 WeakPolarHBondContact O-CB 3.46Å; K23-L26 PolarHBondContact O-N 3.36Å; K23-L26 VanDerWaalsContact O-N 3.15Å; K23-L27 PolarHBondContact O-N 3.36Å; K23-D65 WeakPolarHBondContact CB-OD1 3.34Å; K23-T66 WeakPolarHBondContact CE-O 3.4Å; K23-V89 HydrophobicContact CG-CB 4.09Å; K23-V89 HydrophobicContact CG-CG2 4.09Å
24	S	95.8	Very high	95.4	Very high	26 Å²	26	29.4 Å²	29.4	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-37.2	179.3	-40.1	0	0	0	0	112.6	G22 L27 S28 T42 D65	G22-S24 PolarHBondContact O-N 3.34Å; S24-L27 PolarHBondContact O-N 3.39Å; S24-S28 WeakPolarHBondContact O-CB 3.34Å; S24-S28 PolarHBondContact O-N 2.78Å; S24-T42 PolarHBondContact OG-OG1 3.21Å; S24-D65 WeakPolarHBondContact CA-OD2 3.47Å; S24-D65 VanDerWaalsContact CB-OD2 3.26Å; S24-D65 WeakPolarHBondContact CB-OD2 3.43Å; S24-D65 PolarHBondContact OG-OD2 3.11Å
25	N	96.9	Very high	95.3	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.064	18%	0.18	C	C	.	.	H	α-helix	trans	-71	-35.4	175.5	-90.2	-43	0	0	0	111.9	G22 K23 R29 F35 N36 S39 A154	G22-N25 PolarHBondContact O-N 3.1Å; G22-N25 VanDerWaalsContact O-N 3.17Å; K23-N25 VanDerWaalsContact C-N 3.32Å; K23-N25 PolarHBondContact O-N 3Å; N25-R29 WeakPolarHBondContact O-CB 3.29Å; N25-R29 PolarHBondContact O-N 2.75Å; N25-F35 HydrophobicContact CB-CD2 3.87Å; N25-F35 HydrophobicContact CB-CE2 3.87Å; N25-N36 PolarHBondContact ND2-O 3.46Å; N25-N36 PolarHBondContact OD1-N 3.06Å; N25-N36 PolarHBondContact OD1-O 2.9Å; N25-S39 PolarHBondContact ND2-OG 2.93Å; N25-A154 HydrophobicContact CB-CB 3.93Å
26	L	97.7	Very high	94.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-44.2	170.6	-73.9	168.8	0	0	0	111.3	G22 K23 R29 F30 V89 V121 N123 A154 V160	G22-L26 PolarHBondContact O-N 3.33Å; K23-L26 WeakPolarHBondContact O-CB 3.46Å; K23-L26 PolarHBondContact O-N 3.36Å; K23-L26 VanDerWaalsContact O-N 3.15Å; L26-R29 PolarHBondContact O-N 3.04Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 2.73Å; L26-V89 HydrophobicContact CD1-CG1 3.83Å; L26-V89 HydrophobicContact CD1-CG2 4.01Å; L26-V121 HydrophobicContact CD1-CG1 4.36Å; L26-N123 HydrophobicContact CD1-CB 4.34Å; L26-A154 HydrophobicContact CD2-CB 3.9Å; L26-A154 HydrophobicContact CG-CB 4.12Å; L26-V160 HydrophobicContact CD2-CG1 4.24Å; L26-V160 HydrophobicContact CD2-CG2 3.77Å
27	L	96.8	Very high	94.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-49.2	175.4	178.6	60.3	0	0	0	111.7	L15 K23 S24 R29 F30 T31 E46 I63 D65	L15-L27 HydrophobicContact CD1-CB 3.78Å; K23-L27 PolarHBondContact O-N 3.36Å; S24-L27 PolarHBondContact O-N 3.39Å; L27-R29 VanDerWaalsContact C-N 3.32Å; L27-R29 PolarHBondContact O-N 2.78Å; L27-F30 PolarHBondContact O-N 3.05Å; L27-T31 HydrophobicContact CD1-CG2 3.73Å; L27-T31 HydrophobicContact CG-CG2 4.5Å; L27-T31 WeakPolarHBondContact O-CB 3.47Å; L27-T31 WeakPolarHBondContact O-CG2 3.05Å; L27-T31 PolarHBondContact O-N 3.23Å; L27-T31 PolarHBondContact O-OG1 2.98Å; L27-E46 HydrophobicContact CD2-CG 4.39Å; L27-I63 HydrophobicContact CD1-CB 3.76Å; L27-I63 HydrophobicContact CD1-CD1 4.05Å; L27-I63 HydrophobicContact CD1-CG2 3.6Å; L27-D65 HydrophobicContact CD2-CB 3.67Å
28	S	95.2	Very high	93.9	Very high	23 Å²	23	49.7 Å²	49.7	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-41.4	-179.7	-164.4	0	0	0	0	111.1	S24 F30 T31 K32 N33 E34	S24-S28 WeakPolarHBondContact O-CB 3.34Å; S24-S28 PolarHBondContact O-N 2.78Å; S28-F30 PolarHBondContact O-N 2.85Å; S28-T31 PolarHBondContact O-N 2.91Å; S28-K32 CarbonylContact O-C 3.59Å; S28-K32 WeakPolarHBondContact O-CA 3.44Å; S28-K32 WeakPolarHBondContact O-CB 3.36Å; S28-K32 PolarHBondContact O-N 3.47Å; S28-N33 PolarHBondContact O-N 2.97Å; S28-E34 CarbonylContact C-O 3.47Å; S28-E34 PolarHBondContact O-N 3.1Å
29	R	96.8	Very high	93.2	Very high	40 Å²	40	50.4 Å²	50.4	15%	0.151	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-42.8	176.9	-174.2	64	74.8	-172	14.5	111.4	N25 L26 L27 N33 E34 A154 L155 S157 V160	N25-R29 WeakPolarHBondContact O-CB 3.29Å; N25-R29 PolarHBondContact O-N 2.75Å; L26-R29 PolarHBondContact O-N 3.04Å; L27-R29 VanDerWaalsContact C-N 3.32Å; L27-R29 PolarHBondContact O-N 2.78Å; R29-N33 WeakPolarHBondContact CD-OD1 3.39Å; R29-N33 PolarHBondContact NH1-O 3.14Å; R29-N33 WeakPolarHBondContact O-CA 3.46Å; R29-N33 PolarHBondContact O-N 2.92Å; R29-N33 VanDerWaalsContact O-N 3.11Å; R29-E34 WeakPolarHBondContact CA-O 3.48Å; R29-E34 PolarHBondContact N-O 3.15Å; R29-A154 PolarHBondContact NE-O 2.81Å; R29-A154 PolarHBondContact NH2-O 2.91Å; R29-L155 PolarHBondContact NH2-O 3.2Å; R29-S157 WeakPolarHBondContact CD-OG 3.42Å; R29-S157 WeakPolarHBondContact CG-OG 3.47Å; R29-V160 HydrophobicContact CB-CG1 4.13Å; R29-V160 HydrophobicContact CG-CB 4.26Å; R29-V160 HydrophobicContact CG-CG1 4.04Å; R29-V160 HydrophobicContact CG-CG2 4.08Å
30	F	96.9	Very high	92.6	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-68.9	-38.1	176.9	-178.3	-110.5	0	0	0	112.8	L26 L27 S28 R50 V52 I63 V160 E161 F164	L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 2.73Å; L27-F30 PolarHBondContact O-N 3.05Å; S28-F30 PolarHBondContact O-N 2.85Å; F30-R50 HydrophobicContact CE1-CB 3.96Å; F30-R50 HydrophobicContact CE1-CG 4.27Å; F30-R50 VanDerWaalsContact O-CD 3.24Å; F30-R50 WeakPolarHBondContact O-CD 3.33Å; F30-R50 PolarHBondContact O-NH1 2.93Å; F30-V52 HydrophobicContact CZ-CG1 3.95Å; F30-I63 HydrophobicContact CD1-CD1 3.5Å; F30-I63 VanDerWaalsContact CD1-CD1 3.5Å; F30-I63 HydrophobicContact CE1-CD1 3.51Å; F30-V160 HydrophobicContact CB-CG1 4.09Å; F30-E161 WeakPolarHBondContact CD2-OE2 3.09Å; F30-E161 WeakPolarHBondContact CE2-OE2 3.41Å; F30-F164 HydrophobicContact CB-CD2 3.69Å; F30-F164 HydrophobicContact CB-CE2 3.59Å; F30-F164 HydrophobicContact CB-CG 4.38Å; F30-F164 HydrophobicContact CB-CZ 4.18Å; F30-F164 HydrophobicContact CD1-CB 4.36Å; F30-F164 AromaticContact CD1-CD1 3.97Å; F30-F164 HydrophobicContact CD1-CD1 3.97Å; F30-F164 HydrophobicContact CD1-CD2 4.06Å; F30-F164 HydrophobicContact CD1-CE1 4.25Å; F30-F164 HydrophobicContact CD1-CE2 4.35Å; F30-F164 AromaticContact CD1-CG 3.87Å; F30-F164 HydrophobicContact CD1-CG 3.87Å; F30-F164 HydrophobicContact CD1-CZ 4.45Å; F30-F164 HydrophobicContact CD2-CB 3.71Å; F30-F164 AromaticContact CD2-CD2 3.55Å; F30-F164 HydrophobicContact CD2-CD2 3.55Å; F30-F164 HydrophobicContact CD2-CE2 4.34Å; F30-F164 AromaticContact CD2-CG 3.72Å; F30-F164 HydrophobicContact CD2-CG 3.72Å; F30-F164 HydrophobicContact CE1-CB 4.09Å; F30-F164 HydrophobicContact CE1-CD1 4.09Å; F30-F164 HydrophobicContact CE1-CG 4.03Å; F30-F164 HydrophobicContact CE2-CB 3.39Å; F30-F164 HydrophobicContact CE2-CD2 4.18Å; F30-F164 AromaticContact CE2-CG 3.88Å; F30-F164 HydrophobicContact CE2-CG 3.88Å; F30-F164 HydrophobicContact CG-CB 4.19Å; F30-F164 HydrophobicContact CG-CD1 4.24Å; F30-F164 AromaticContact CG-CD2 3.48Å; F30-F164 HydrophobicContact CG-CD2 3.48Å; F30-F164 VanDerWaalsContact CG-CD2 3.48Å; F30-F164 AromaticContact CG-CE2 3.85Å; F30-F164 HydrophobicContact CG-CE2 3.85Å; F30-F164 AromaticContact CG-CG 3.71Å; F30-F164 HydrophobicContact CG-CG 3.71Å; F30-F164 HydrophobicContact CG-CZ 4.37Å; F30-F164 HydrophobicContact CZ-CB 3.6Å; F30-F164 HydrophobicContact CZ-CD1 4.46Å; F30-F164 HydrophobicContact CZ-CG 4.03Å
31	T	94.6	Very high	92.1	Very high	33 Å²	33	61.1 Å²	61.1	20%	0.202	31%	0.305	C	S	.	.	H	α-helix	trans	-94.6	-29.8	-171.1	56.3	0	0	0	0	114.2	L27 S28 S48 R50 I63	L27-T31 HydrophobicContact CD1-CG2 3.73Å; L27-T31 HydrophobicContact CG-CG2 4.5Å; L27-T31 WeakPolarHBondContact O-CB 3.47Å; L27-T31 WeakPolarHBondContact O-CG2 3.05Å; L27-T31 PolarHBondContact O-N 3.23Å; L27-T31 PolarHBondContact O-OG1 2.98Å; S28-T31 PolarHBondContact O-N 2.91Å; T31-S48 WeakPolarHBondContact CG2-OG 3.49Å; T31-R50 HydrophobicContact CG2-CB 4.33Å; T31-I63 HydrophobicContact CG2-CD1 4.44Å
32	K	93.4	Very high	91.2	Very high	110 Å²	110	62.6 Å²	62.6	48%	0.478	31%	0.314	S	S	.	.	H	α-helix	trans	-126.7	-6.6	-172.9	-58.5	172.9	-172.7	167	0	113.1	S28 E34	S28-K32 CarbonylContact O-C 3.59Å; S28-K32 WeakPolarHBondContact O-CA 3.44Å; S28-K32 WeakPolarHBondContact O-CB 3.36Å; S28-K32 PolarHBondContact O-N 3.47Å; K32-E34 HydrophobicContact CB-CB 4.15Å; K32-E34 HydrophobicContact CB-CG 3.94Å; K32-E34 PolarHBondContact O-N 3.35Å
33	N	93.6	Very high	90.1	Very high	109 Å²	109	68.3 Å²	68.3	58%	0.583	34%	0.341	S	S	*	.	S	Bend	trans	55.7	33.6	-168.8	-164.8	26.8	0	0	0	113.2	S28 R29	S28-N33 PolarHBondContact O-N 2.97Å; R29-N33 WeakPolarHBondContact CD-OD1 3.39Å; R29-N33 PolarHBondContact NH1-O 3.14Å; R29-N33 WeakPolarHBondContact O-CA 3.46Å; R29-N33 PolarHBondContact O-N 2.92Å; R29-N33 VanDerWaalsContact O-N 3.11Å
34	E	93.7	Very high	89	Confident	110 Å²	110	69.1 Å²	69.1	51%	0.514	35%	0.351	S	S	.	.			trans	-111.9	154.9	-178.4	-72.7	173.3	-179.9	0	0	111.7	S28 R29 K32	S28-E34 CarbonylContact C-O 3.47Å; S28-E34 PolarHBondContact O-N 3.1Å; R29-E34 WeakPolarHBondContact CA-O 3.48Å; R29-E34 PolarHBondContact N-O 3.15Å; K32-E34 HydrophobicContact CB-CB 4.15Å; K32-E34 HydrophobicContact CB-CG 3.94Å; K32-E34 PolarHBondContact O-N 3.35Å
35	F	93.6	Very high	88.4	Confident	61 Å²	61	69.6 Å²	69.6	27%	0.268	35%	0.352	S	S	.	.			trans	-138.3	138.5	171.1	178.7	-86	0	0	0	110.3	N25 H37 A154 L155	N25-F35 HydrophobicContact CB-CD2 3.87Å; N25-F35 HydrophobicContact CB-CE2 3.87Å; F35-H37 AromaticContact CD1-NE2 3.98Å; F35-H37 AromaticContact CE1-CE1 3.68Å; F35-H37 AromaticContact CE1-CG 3.84Å; F35-H37 AromaticContact CE1-ND1 3.62Å; F35-H37 AromaticContact CE1-NE2 3.93Å; F35-A154 HydrophobicContact CD2-CB 4.04Å; F35-A154 WeakPolarHBondContact CD2-O 3.4Å; F35-A154 HydrophobicContact CE2-CB 4.02Å; F35-L155 HydrophobicContact CD1-CD1 3.74Å; F35-L155 HydrophobicContact CD2-CB 4.4Å; F35-L155 HydrophobicContact CE1-CD1 3.61Å; F35-L155 HydrophobicContact CE2-CB 3.99Å; F35-L155 HydrophobicContact CE2-CD1 4.46Å; F35-L155 HydrophobicContact CG-CD1 4.25Å; F35-L155 HydrophobicContact CZ-CB 4.08Å; F35-L155 HydrophobicContact CZ-CD1 3.99Å
36	N	89.1	Confident	88	Confident	82 Å²	82	72.9 Å²	72.9	44%	0.439	37%	0.368	S	S	.	.			trans	-118	114.7	-179.7	-174.7	0.8	0	0	0	110.4	N25 D38 S39	N25-N36 PolarHBondContact ND2-O 3.46Å; N25-N36 PolarHBondContact OD1-N 3.06Å; N25-N36 PolarHBondContact OD1-O 2.9Å; N36-D38 VanDerWaalsContact C-N 3.27Å; N36-D38 PolarHBondContact O-N 3.11Å; N36-D38 WeakPolarHBondContact OD1-CA 3.22Å; N36-D38 PolarHBondContact OD1-N 2.72Å; N36-S39 PolarHBondContact O-N 3.04Å
37	H	85.3	Confident	87.7	Confident	149 Å²	149	77.2 Å²	77.2	69%	0.69	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.5	174.4	-72.6	-81.2	0	0	0	112.2	F35 S39	F35-H37 AromaticContact CD1-NE2 3.98Å; F35-H37 AromaticContact CE1-CE1 3.68Å; F35-H37 AromaticContact CE1-CG 3.84Å; F35-H37 AromaticContact CE1-ND1 3.62Å; F35-H37 AromaticContact CE1-NE2 3.93Å; H37-S39 VanDerWaalsContact C-N 3.29Å; H37-S39 PolarHBondContact O-N 2.94Å
38	D	83.2	Confident	87.6	Confident	134 Å²	134	78.1 Å²	78.1	72%	0.717	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	30.5	-179.4	-61.1	-42.6	0	0	0	111.8	N36 R40	N36-D38 VanDerWaalsContact C-N 3.27Å; N36-D38 PolarHBondContact O-N 3.11Å; N36-D38 WeakPolarHBondContact OD1-CA 3.22Å; N36-D38 PolarHBondContact OD1-N 2.72Å; D38-R40 PolarHBondContact O-N 3.17Å
39	S	79.8	Confident	87.5	Confident	52 Å²	52	80.1 Å²	80.1	36%	0.364	40%	0.404	S	S	.	.			trans	-59.9	111.2	179.3	81.3	0	0	0	0	109.5	N25 N36 H37	N25-S39 PolarHBondContact ND2-OG 2.93Å; N36-S39 PolarHBondContact O-N 3.04Å; H37-S39 VanDerWaalsContact C-N 3.29Å; H37-S39 PolarHBondContact O-N 2.94Å
40	R	80.3	Confident	87.5	Confident	226 Å²	226	81.6 Å²	81.6	85%	0.853	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-73	160.8	176.8	-63.6	-175	-179.2	-177.6	0.5	110.1	D38 T42	D38-R40 PolarHBondContact O-N 3.17Å; R40-T42 PolarHBondContact O-N 2.75Å
41	T	81.9	Confident	87.4	Confident	91 Å²	91	83.5 Å²	83.5	56%	0.558	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-56.5	124.6	171.3	53.7	0	0	0	0	109.8	I43	T41-I43 PolarHBondContact O-N 3.15Å
42	T	77.2	Confident	87.4	Confident	31 Å²	31	82.4 Å²	82.4	19%	0.19	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-60.2	119.8	176.2	-44.2	0	0	0	0	109.7	S24 R40 A67	S24-T42 PolarHBondContact OG-OG1 3.21Å; R40-T42 PolarHBondContact O-N 2.75Å; T42-A67 VanDerWaalsContact O-CB 3.31Å; T42-A67 WeakPolarHBondContact O-CB 3.45Å
43	I	74.4	Confident	87.4	Confident	132 Å²	132	82.8 Å²	82.8	68%	0.677	42%	0.419	S	S	*	.			trans	-98	111	172.7	-57	177.7	0	0	0	106.5	T41	T41-I43 PolarHBondContact O-N 3.15Å
44	G	73.3	Confident	87.2	Confident	24 Å²	24	78.2 Å²	78.2	25%	0.247	39%	0.394	C	S	.	.	S	Bend	trans	85.1	-134.7	-175.3	0	0	0	0	0	112.8	A67	G44-A67 VanDerWaalsContact O-CB 3.28Å; G44-A67 WeakPolarHBondContact O-CB 3.26Å; G44-A67 PolarHBondContact O-N 3.35Å
45	V	83.8	Confident	86.9	Confident	36 Å²	36	78.1 Å²	78.1	22%	0.218	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.6	-173.3	-176.1	0	0	0	0	110.1	W64 D65 T66 Y79	V45-W64 HydrophobicContact CG1-CB 4.28Å; V45-W64 HydrophobicContact CG1-CE3 3.6Å; V45-W64 HydrophobicContact CG1-CZ3 4.35Å; V45-D65 CarbonylContact C-O 3.55Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.25Å; V45-D65 VanDerWaalsContact CG1-O 3.32Å; V45-D65 WeakPolarHBondContact CG1-O 3.29Å; V45-T66 HydrophobicContact CG1-CG2 4.49Å; V45-Y79 HydrophobicContact CB-CD1 4.37Å; V45-Y79 HydrophobicContact CB-CE1 4.04Å; V45-Y79 HydrophobicContact CB-CE2 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.98Å; V45-Y79 HydrophobicContact CG1-CE1 4.05Å; V45-Y79 HydrophobicContact CG1-CG 4.29Å; V45-Y79 HydrophobicContact CG2-CD1 4.25Å; V45-Y79 HydrophobicContact CG2-CD2 3.62Å; V45-Y79 HydrophobicContact CG2-CE1 4.08Å; V45-Y79 HydrophobicContact CG2-CE2 3.42Å; V45-Y79 VanDerWaalsContact CG2-CE2 3.42Å; V45-Y79 HydrophobicContact CG2-CG 4.02Å
46	E	88.1	Confident	86.5	Confident	82 Å²	82	78 Å²	78	38%	0.383	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.1	171.8	-177.3	175	172.9	0	0	109.9	L27 W64 D65	L27-E46 HydrophobicContact CD2-CG 4.39Å; E46-W64 CarbonylContact O-C 3.6Å; E46-W64 WeakPolarHBondContact O-CA 3.43Å; E46-D65 HydrophobicContact CB-CB 4.28Å; E46-D65 PolarHBondContact N-O 2.91Å; E46-D65 PolarHBondContact O-N 2.87Å
47	F	90.8	Very high	86.5	Confident	93 Å²	93	77.7 Å²	77.7	41%	0.408	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.5	178.9	172.2	-106.2	0	0	0	110.2	T49 Q62 I63 W64	F47-T49 HydrophobicContact CE1-CG2 3.69Å; F47-T49 HydrophobicContact CE2-CG2 4.14Å; F47-T49 HydrophobicContact CZ-CG2 3.34Å; F47-Q62 HydrophobicContact CE2-CB 3.84Å; F47-Q62 HydrophobicContact CE2-CG 4.01Å; F47-Q62 HydrophobicContact CZ-CB 4.34Å; F47-Q62 HydrophobicContact CZ-CG 4.01Å; F47-I63 WeakPolarHBondContact CA-O 3.31Å; F47-W64 HydrophobicContact CB-CD2 4.46Å; F47-W64 HydrophobicContact CB-CE3 4.05Å; F47-W64 HydrophobicContact CB-CH2 4.48Å; F47-W64 HydrophobicContact CB-CZ3 4.06Å; F47-W64 AromaticContact CD2-CD2 3.77Å; F47-W64 HydrophobicContact CD2-CD2 3.77Å; F47-W64 AromaticContact CD2-CE2 3.49Å; F47-W64 VanDerWaalsContact CD2-CE2 3.49Å; F47-W64 HydrophobicContact CD2-CE3 4.16Å; F47-W64 HydrophobicContact CD2-CG 4.24Å; F47-W64 HydrophobicContact CD2-CH2 4.19Å; F47-W64 AromaticContact CD2-CZ2 3.74Å; F47-W64 HydrophobicContact CD2-CZ2 3.74Å; F47-W64 HydrophobicContact CD2-CZ3 4.36Å; F47-W64 AromaticContact CD2-NE1 3.72Å; F47-W64 AromaticContact CE2-CE2 3.89Å; F47-W64 HydrophobicContact CE2-CZ2 4.05Å; F47-W64 AromaticContact CE2-NE1 3.79Å; F47-W64 HydrophobicContact CG-CH2 4.43Å; F47-W64 HydrophobicContact CG-CZ2 4.4Å; F47-W64 HydrophobicContact CG-CZ3 4.46Å
48	S	94.1	Very high	86.9	Confident	20 Å²	20	75.2 Å²	75.2	14%	0.14	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.7	173.8	-169.4	0	0	0	0	110.9	T31 I63	T31-S48 WeakPolarHBondContact CG2-OG 3.49Å; S48-I63 PolarHBondContact N-O 3.03Å; S48-I63 PolarHBondContact O-N 2.94Å
49	T	94.9	Very high	87.4	Confident	65 Å²	65	68.9 Å²	68.9	40%	0.399	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140	177.4	60.7	0	0	0	0	111.1	F47 A61 Q62	F47-T49 HydrophobicContact CE1-CG2 3.69Å; F47-T49 HydrophobicContact CE2-CG2 4.14Å; F47-T49 HydrophobicContact CZ-CG2 3.34Å; T49-A61 VanDerWaalsContact CA-O 3.24Å; T49-A61 WeakPolarHBondContact CA-O 3.4Å; T49-Q62 HydrophobicContact CG2-CG 4.1Å
50	R	95.1	Very high	88.2	Confident	71 Å²	71	68 Å²	68	27%	0.268	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.2	169.4	-174.4	172.3	176.5	-153.1	-11.8	109.8	F30 T31 V52 A61 E161	F30-R50 HydrophobicContact CE1-CB 3.96Å; F30-R50 HydrophobicContact CE1-CG 4.27Å; F30-R50 VanDerWaalsContact O-CD 3.24Å; F30-R50 WeakPolarHBondContact O-CD 3.33Å; F30-R50 PolarHBondContact O-NH1 2.93Å; T31-R50 HydrophobicContact CG2-CB 4.33Å; R50-V52 HydrophobicContact CG-CG1 4.15Å; R50-A61 PolarHBondContact N-O 3.14Å; R50-A61 WeakPolarHBondContact O-CB 3.32Å; R50-A61 PolarHBondContact O-N 3.45Å; R50-E161 IonicContact CZ-OE1 2.71Å; R50-E161 VanDerWaalsContact CZ-OE1 3.31Å; R50-E161 IonicContact CZ-OE2 3.58Å; R50-E161 VanDerWaalsContact NH1-CD 3.32Å; R50-E161 IonicContact NH1-OE1 2.9Å; R50-E161 PolarHBondContact NH1-OE1 3.15Å; R50-E161 VanDerWaalsContact NH1-OE1 3.15Å; R50-E161 IonicContact NH1-OE2 3.31Å; R50-E161 PolarHBondContact NH1-OE2 3.35Å; R50-E161 IonicContact NH2-OE1 3.15Å; R50-E161 PolarHBondContact NH2-OE1 2.89Å; R50-E161 IonicContact NH2-OE2 2.71Å
51	T	95.1	Very high	88.9	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.258	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.8	169.6	-54.9	0	0	0	0	108.5	Y58 I59	T51-Y58 HydrophobicContact CG2-CD1 4.22Å; T51-I59 CarbonylContact C-O 3.59Å; T51-I59 WeakPolarHBondContact CA-O 3.12Å
52	V	94.8	Very high	89.6	Confident	10 Å²	10	55.8 Å²	55.8	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.6	175.7	-62.2	0	0	0	0	109.8	F30 R50 L54 I59 L168	F30-V52 HydrophobicContact CZ-CG1 3.95Å; R50-V52 HydrophobicContact CG-CG1 4.15Å; V52-L54 HydrophobicContact CB-CG 4.46Å; V52-L54 HydrophobicContact CG2-CD1 3.64Å; V52-L54 HydrophobicContact CG2-CG 3.92Å; V52-I59 HydrophobicContact CG2-CB 4.19Å; V52-I59 PolarHBondContact N-O 2.83Å; V52-I59 PolarHBondContact O-N 3.16Å; V52-L168 HydrophobicContact CG2-CD1 3.61Å
53	Q	93.9	Very high	90.5	Very high	119 Å²	119	54.4 Å²	54.4	56%	0.556	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.7	172.6	-169.2	180	17.9	0	0	109.1	F57 Y58	Q53-F57 CarbonylContact C-O 3.43Å; Q53-F57 WeakPolarHBondContact CA-O 3.19Å; Q53-Y58 HydrophobicContact CB-CD1 4.16Å; Q53-Y58 HydrophobicContact CB-CE1 4Å; Q53-Y58 HydrophobicContact CG-CD1 4.38Å; Q53-Y58 HydrophobicContact CG-CE1 4.09Å
54	L	90.1	Very high	91.4	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.7	-179.3	-65	171.4	0	0	0	109.4	V52 G56 F57 I59 N165 L168 E169	V52-L54 HydrophobicContact CB-CG 4.46Å; V52-L54 HydrophobicContact CG2-CD1 3.64Å; V52-L54 HydrophobicContact CG2-CG 3.92Å; L54-G56 PolarHBondContact O-N 3.37Å; L54-G56 VanDerWaalsContact O-N 3.16Å; L54-F57 PolarHBondContact N-O 2.79Å; L54-F57 PolarHBondContact O-N 2.95Å; L54-I59 HydrophobicContact CB-CD1 4.09Å; L54-I59 HydrophobicContact CD1-CD1 4.09Å; L54-N165 HydrophobicContact CD1-CB 4.41Å; L54-N165 HydrophobicContact CD2-CB 4.01Å; L54-L168 HydrophobicContact CD1-CB 3.66Å; L54-L168 HydrophobicContact CD1-CD1 4.22Å; L54-E169 HydrophobicContact CB-CG 4.4Å; L54-E169 HydrophobicContact CD1-CG 4.13Å; L54-E169 HydrophobicContact CD2-CG 4.31Å
55	N	86.1	Confident	92.4	Very high	108 Å²	108	49.7 Å²	49.7	58%	0.578	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	36.2	-179.8	-59.5	-43.5	0	0	0	114.4	F57	N55-F57 VanDerWaalsContact C-N 3.28Å; N55-F57 VanDerWaalsContact O-CD2 3.3Å; N55-F57 WeakPolarHBondContact O-CD2 3.46Å; N55-F57 PolarHBondContact O-N 3.42Å
56	G	86.3	Confident	92.6	Very high	58 Å²	58	48 Å²	48	60%	0.598	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	-0.8	-178.8	0	0	0	0	0	115.2	L54	L54-G56 PolarHBondContact O-N 3.37Å; L54-G56 VanDerWaalsContact O-N 3.16Å
57	F	88.9	Confident	92.3	Very high	76 Å²	76	44.1 Å²	44.1	33%	0.333	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.4	175.5	-61.4	-82.5	0	0	0	111.4	N8 F9 Q53 L54 N55 H172	N8-F57 HydrophobicContact CB-CB 4.46Å; N8-F57 HydrophobicContact CB-CD1 4.14Å; F9-F57 HydrophobicContact CD2-CB 4.26Å; F9-F57 HydrophobicContact CE2-CB 4.12Å; F9-F57 AromaticContact CE2-CD1 3.71Å; F9-F57 HydrophobicContact CE2-CD1 3.71Å; F9-F57 HydrophobicContact CE2-CE1 4.29Å; F9-F57 AromaticContact CE2-CG 3.92Å; F9-F57 HydrophobicContact CE2-CG 3.92Å; Q53-F57 CarbonylContact C-O 3.43Å; Q53-F57 WeakPolarHBondContact CA-O 3.19Å; L54-F57 PolarHBondContact N-O 2.79Å; L54-F57 PolarHBondContact O-N 2.95Å; N55-F57 VanDerWaalsContact C-N 3.28Å; N55-F57 VanDerWaalsContact O-CD2 3.3Å; N55-F57 WeakPolarHBondContact O-CD2 3.46Å; N55-F57 PolarHBondContact O-N 3.42Å; F57-H172 AromaticContact CD2-CE1 3.58Å; F57-H172 AromaticContact CD2-NE2 3.53Å; F57-H172 AromaticContact CE2-CE1 3.64Å; F57-H172 AromaticContact CE2-NE2 3.74Å; F57-H172 AromaticContact CG-NE2 3.93Å
58	Y	92.6	Very high	91.4	Very high	97 Å²	97	39.8 Å²	39.8	38%	0.38	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.3	170.1	-69.8	-86.2	0	0	0	109.4	N8 F9 T51 Q53	N8-Y58 PolarHBondContact N-O 3.22Å; N8-Y58 PolarHBondContact OD1-N 3.4Å; F9-Y58 PolarHBondContact N-O 3.45Å; T51-Y58 HydrophobicContact CG2-CD1 4.22Å; Q53-Y58 HydrophobicContact CB-CD1 4.16Å; Q53-Y58 HydrophobicContact CB-CE1 4Å; Q53-Y58 HydrophobicContact CG-CD1 4.38Å; Q53-Y58 HydrophobicContact CG-CE1 4.09Å
59	I	94.3	Very high	90.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.1	-178.7	-61.3	171.4	0	0	0	108.1	F9 F11 T51 V52 L54 A61 L168 H172	F9-I59 HydrophobicContact CB-CG1 4.27Å; F9-I59 HydrophobicContact CD2-CG1 4.25Å; F11-I59 HydrophobicContact CB-CG2 4.47Å; F11-I59 HydrophobicContact CD2-CD1 4.48Å; F11-I59 HydrophobicContact CD2-CG2 3.43Å; F11-I59 VanDerWaalsContact CD2-CG2 3.43Å; F11-I59 HydrophobicContact CE2-CD1 3.84Å; F11-I59 HydrophobicContact CE2-CG1 4.28Å; F11-I59 HydrophobicContact CE2-CG2 3.76Å; F11-I59 HydrophobicContact CG-CG2 4.03Å; T51-I59 CarbonylContact C-O 3.59Å; T51-I59 WeakPolarHBondContact CA-O 3.12Å; V52-I59 HydrophobicContact CG2-CB 4.19Å; V52-I59 PolarHBondContact N-O 2.83Å; V52-I59 PolarHBondContact O-N 3.16Å; L54-I59 HydrophobicContact CB-CD1 4.09Å; L54-I59 HydrophobicContact CD1-CD1 4.09Å; I59-A61 PolarHBondContact O-N 2.72Å; I59-L168 HydrophobicContact CG2-CD2 4.26Å; I59-H172 HydrophobicContact CD1-CB 4.29Å
60	K	95.4	Very high	88.8	Confident	33 Å²	33	45.5 Å²	45.5	14%	0.143	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	100.6	170.5	-173.2	168.2	-174.5	172.4	0	108.9	D4 Y7 F9 V10 F11	D4-K60 IonicContact OD1-NZ 3.94Å; D4-K60 PolarHBondContact OD1-NZ 2.8Å; Y7-K60 HydrophobicContact CD1-CB 4.07Å; Y7-K60 HydrophobicContact CD1-CD 3.63Å; Y7-K60 HydrophobicContact CD1-CG 4.47Å; Y7-K60 HydrophobicContact CD2-CB 3.86Å; Y7-K60 HydrophobicContact CD2-CD 4.33Å; Y7-K60 HydrophobicContact CE1-CD 3.41Å; Y7-K60 VanDerWaalsContact CE1-CD 3.41Å; Y7-K60 HydrophobicContact CE2-CB 4.3Å; Y7-K60 HydrophobicContact CE2-CD 4.08Å; Y7-K60 HydrophobicContact CG-CB 3.75Å; Y7-K60 HydrophobicContact CG-CD 4.13Å; F9-K60 PolarHBondContact O-N 3.42Å; V10-K60 WeakPolarHBondContact CA-O 3.4Å; V10-K60 HydrophobicContact CG2-CB 4.44Å; F11-K60 PolarHBondContact N-O 3.05Å; F11-K60 VanDerWaalsContact N-O 3.1Å
61	A	96.1	Very high	87.3	Confident	1 Å²	1	52 Å²	52	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.7	174	0	0	0	0	0	109.9	T49 R50 I59 I63 L168	T49-A61 VanDerWaalsContact CA-O 3.24Å; T49-A61 WeakPolarHBondContact CA-O 3.4Å; R50-A61 PolarHBondContact N-O 3.14Å; R50-A61 WeakPolarHBondContact O-CB 3.32Å; R50-A61 PolarHBondContact O-N 3.45Å; I59-A61 PolarHBondContact O-N 2.72Å; A61-I63 HydrophobicContact CB-CD1 4.37Å; A61-I63 HydrophobicContact CB-CG1 4.24Å; A61-L168 HydrophobicContact CB-CD1 3.95Å; A61-L168 HydrophobicContact CB-CD2 3.95Å
62	Q	96	Very high	86	Confident	61 Å²	61	53.1 Å²	53.1	29%	0.285	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	104.2	173.5	-79.3	-171.6	-7.8	0	0	108.5	V10 F11 K12 V13 F47 T49	V10-Q62 HydrophobicContact CG1-CG 3.81Å; F11-Q62 PolarHBondContact O-N 3.48Å; K12-Q62 CarbonylContact C-O 3.39Å; K12-Q62 WeakPolarHBondContact CA-O 3.45Å; V13-Q62 PolarHBondContact N-O 3.31Å; F47-Q62 HydrophobicContact CE2-CB 3.84Å; F47-Q62 HydrophobicContact CE2-CG 4.01Å; F47-Q62 HydrophobicContact CZ-CB 4.34Å; F47-Q62 HydrophobicContact CZ-CG 4.01Å; T49-Q62 HydrophobicContact CG2-CG 4.1Å
63	I	96.4	Very high	84.6	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.6	-169.8	-51.1	164.3	0	0	0	109.7	V13 L15 L27 F30 T31 F47 S48 A61 F164	V13-I63 HydrophobicContact CB-CG1 4.41Å; V13-I63 WeakPolarHBondContact O-CA 3.5Å; L15-I63 HydrophobicContact CD1-CG2 4.18Å; L15-I63 HydrophobicContact CD2-CG2 4.16Å; L15-I63 HydrophobicContact CG-CG2 3.91Å; L27-I63 HydrophobicContact CD1-CB 3.76Å; L27-I63 HydrophobicContact CD1-CD1 4.05Å; L27-I63 HydrophobicContact CD1-CG2 3.6Å; F30-I63 HydrophobicContact CD1-CD1 3.5Å; F30-I63 VanDerWaalsContact CD1-CD1 3.5Å; F30-I63 HydrophobicContact CE1-CD1 3.51Å; T31-I63 HydrophobicContact CG2-CD1 4.44Å; F47-I63 WeakPolarHBondContact CA-O 3.31Å; S48-I63 PolarHBondContact N-O 3.03Å; S48-I63 PolarHBondContact O-N 2.94Å; A61-I63 HydrophobicContact CB-CD1 4.37Å; A61-I63 HydrophobicContact CB-CG1 4.24Å; I63-F164 HydrophobicContact CD1-CD1 3.92Å; I63-F164 HydrophobicContact CD1-CE1 3.75Å; I63-F164 HydrophobicContact CG1-CE1 4.4Å; I63-F164 HydrophobicContact CG2-CE1 4.11Å
64	W	94.4	Very high	83.3	Confident	58 Å²	58	53.5 Å²	53.5	22%	0.22	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.5	178.5	-63.5	81.1	0	0	0	109.3	V13 V14 L15 V45 E46 F47 Y79	V13-W64 PolarHBondContact O-N 3.12Å; V14-W64 WeakPolarHBondContact CA-O 3.29Å; V14-W64 HydrophobicContact CG1-CB 4.16Å; L15-W64 PolarHBondContact N-O 2.95Å; V45-W64 HydrophobicContact CG1-CB 4.28Å; V45-W64 HydrophobicContact CG1-CE3 3.6Å; V45-W64 HydrophobicContact CG1-CZ3 4.35Å; E46-W64 CarbonylContact O-C 3.6Å; E46-W64 WeakPolarHBondContact O-CA 3.43Å; F47-W64 HydrophobicContact CB-CD2 4.46Å; F47-W64 HydrophobicContact CB-CE3 4.05Å; F47-W64 HydrophobicContact CB-CH2 4.48Å; F47-W64 HydrophobicContact CB-CZ3 4.06Å; F47-W64 AromaticContact CD2-CD2 3.77Å; F47-W64 HydrophobicContact CD2-CD2 3.77Å; F47-W64 AromaticContact CD2-CE2 3.49Å; F47-W64 VanDerWaalsContact CD2-CE2 3.49Å; F47-W64 HydrophobicContact CD2-CE3 4.16Å; F47-W64 HydrophobicContact CD2-CG 4.24Å; F47-W64 HydrophobicContact CD2-CH2 4.19Å; F47-W64 AromaticContact CD2-CZ2 3.74Å; F47-W64 HydrophobicContact CD2-CZ2 3.74Å; F47-W64 HydrophobicContact CD2-CZ3 4.36Å; F47-W64 AromaticContact CD2-NE1 3.72Å; F47-W64 AromaticContact CE2-CE2 3.89Å; F47-W64 HydrophobicContact CE2-CZ2 4.05Å; F47-W64 AromaticContact CE2-NE1 3.79Å; F47-W64 HydrophobicContact CG-CH2 4.43Å; F47-W64 HydrophobicContact CG-CZ2 4.4Å; F47-W64 HydrophobicContact CG-CZ3 4.46Å; W64-Y79 HydrophobicContact CD2-CD1 4.19Å; W64-Y79 AromaticContact CE3-CD1 3.49Å; W64-Y79 HydrophobicContact CE3-CD1 3.49Å; W64-Y79 VanDerWaalsContact CE3-CD1 3.49Å; W64-Y79 AromaticContact CE3-CE1 3.82Å; W64-Y79 HydrophobicContact CE3-CE1 3.82Å; W64-Y79 HydrophobicContact CH2-CD1 4.31Å; W64-Y79 HydrophobicContact CH2-CE1 4.29Å; W64-Y79 AromaticContact CZ3-CD1 3.56Å; W64-Y79 HydrophobicContact CZ3-CD1 3.56Å; W64-Y79 AromaticContact CZ3-CE1 3.47Å; W64-Y79 HydrophobicContact CZ3-CE1 3.47Å; W64-Y79 VanDerWaalsContact CZ3-CE1 3.47Å
65	D	92.6	Very high	82.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.4	170.9	177.2	43.3	0	0	0	109.7	L15 K23 S24 L27 V45 E46	L15-D65 HydrophobicContact CD1-CB 4.25Å; K23-D65 WeakPolarHBondContact CB-OD1 3.34Å; S24-D65 WeakPolarHBondContact CA-OD2 3.47Å; S24-D65 VanDerWaalsContact CB-OD2 3.26Å; S24-D65 WeakPolarHBondContact CB-OD2 3.43Å; S24-D65 PolarHBondContact OG-OD2 3.11Å; L27-D65 HydrophobicContact CD2-CB 3.67Å; V45-D65 CarbonylContact C-O 3.55Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.25Å; V45-D65 VanDerWaalsContact CG1-O 3.32Å; V45-D65 WeakPolarHBondContact CG1-O 3.29Å; E46-D65 HydrophobicContact CB-CB 4.28Å; E46-D65 PolarHBondContact N-O 2.91Å; E46-D65 PolarHBondContact O-N 2.87Å
66	T	87.6	Confident	81.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.6	-175.6	70.7	0	0	0	0	112.3	L15 K23 V45 G68 T76 Y80	L15-T66 PolarHBondContact O-N 3.28Å; L15-T66 PolarHBondContact O-OG1 3.27Å; K23-T66 WeakPolarHBondContact CE-O 3.4Å; V45-T66 HydrophobicContact CG1-CG2 4.49Å; T66-G68 PolarHBondContact O-N 3.05Å; T66-T76 HydrophobicContact CG2-CG2 3.75Å; T66-Y80 HydrophobicContact CG2-CE1 4.44Å
67	A	81.9	Confident	81.2	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.			trans	-54.1	128	167.7	0	0	0	0	0	111.2	T42 G44 L69 Y72	T42-A67 VanDerWaalsContact O-CB 3.31Å; T42-A67 WeakPolarHBondContact O-CB 3.45Å; G44-A67 VanDerWaalsContact O-CB 3.28Å; G44-A67 WeakPolarHBondContact O-CB 3.26Å; G44-A67 PolarHBondContact O-N 3.35Å; A67-L69 VanDerWaalsContact C-N 3.28Å; A67-Y72 HydrophobicContact CB-CD2 3.91Å; A67-Y72 HydrophobicContact CB-CG 4.35Å
68	G	72.4	Confident	80.8	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.031	25%	0.253	C	S	.	.			trans	-86.6	5.5	175.1	0	0	0	0	0	113.9	G17 S19 T66	G17-G68 WeakPolarHBondContact O-CA 3.49Å; S19-G68 PolarHBondContact N-O 2.82Å; S19-G68 VanDerWaalsContact N-O 3.1Å; T66-G68 PolarHBondContact O-N 3.05Å
69	L	71.5	Confident	80.5	Confident	73 Å²	73	49.3 Å²	49.3	38%	0.382	25%	0.248	S	C	.	.			trans	-91.3	129.5	-179.1	-164.4	76.1	0	0	0	110	A67 R71 Y72	A67-L69 VanDerWaalsContact C-N 3.28Å; L69-R71 HydrophobicContact CD2-CB 4.16Å; L69-R71 HydrophobicContact CG-CB 4.48Å; L69-R71 PolarHBondContact O-N 2.85Å; L69-R71 VanDerWaalsContact O-N 3.09Å; L69-Y72 HydrophobicContact CB-CD2 3.98Å; L69-Y72 HydrophobicContact CB-CE2 4.38Å; L69-Y72 HydrophobicContact CD2-CD2 4.25Å; L69-Y72 HydrophobicContact CD2-CE2 3.93Å; L69-Y72 PolarHBondContact O-N 2.96Å
70	E	62.4	Low	80.3	Confident	131 Å²	131	49.3 Å²	49.3	61%	0.612	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-57.6	-30.1	-175.5	61.2	177.5	-175.1	0	0	114.5	Y72 R73	E70-Y72 PolarHBondContact O-N 3.38Å; E70-Y72 VanDerWaalsContact O-N 3.1Å; E70-R73 HydrophobicContact CB-CG 4.49Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 WeakPolarHBondContact O-CD 3.41Å; E70-R73 WeakPolarHBondContact O-CG 3.45Å; E70-R73 PolarHBondContact O-N 3.46Å; E70-R73 VanDerWaalsContact O-N 3.07Å
71	R	63.4	Low	80	Confident	208 Å²	208	57.5 Å²	57.5	79%	0.785	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-59.8	-23.1	178	-168.7	-177.9	-65.5	-173	0.3	112.8	L69	L69-R71 HydrophobicContact CD2-CB 4.16Å; L69-R71 HydrophobicContact CG-CB 4.48Å; L69-R71 PolarHBondContact O-N 2.85Å; L69-R71 VanDerWaalsContact O-N 3.09Å
72	Y	68.9	Low	79.6	Confident	65 Å²	65	58.4 Å²	58.4	26%	0.255	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-100	2.2	-179.7	-59	-59	0	0	0	113.8	A67 L69 E70 A74 I75 T76	A67-Y72 HydrophobicContact CB-CD2 3.91Å; A67-Y72 HydrophobicContact CB-CG 4.35Å; L69-Y72 HydrophobicContact CB-CD2 3.98Å; L69-Y72 HydrophobicContact CB-CE2 4.38Å; L69-Y72 HydrophobicContact CD2-CD2 4.25Å; L69-Y72 HydrophobicContact CD2-CE2 3.93Å; L69-Y72 PolarHBondContact O-N 2.96Å; E70-Y72 PolarHBondContact O-N 3.38Å; E70-Y72 VanDerWaalsContact O-N 3.1Å; Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 3.19Å; Y72-I75 HydrophobicContact CD1-CD1 4.42Å; Y72-I75 WeakPolarHBondContact O-CA 3.24Å; Y72-I75 WeakPolarHBondContact O-CB 3.47Å; Y72-I75 PolarHBondContact O-N 3.3Å; Y72-T76 PolarHBondContact O-N 3.33Å; Y72-T76 PolarHBondContact O-OG1 3.46Å; Y72-T76 VanDerWaalsContact O-OG1 3.09Å
73	R	65.8	Low	79.5	Confident	47 Å²	47	55.5 Å²	55.5	18%	0.177	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-40	-175.7	-74.9	172.3	98.3	118.4	10.4	114.6	E70 I75 T76 S77 W104 E107	E70-R73 HydrophobicContact CB-CG 4.49Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 WeakPolarHBondContact O-CD 3.41Å; E70-R73 WeakPolarHBondContact O-CG 3.45Å; E70-R73 PolarHBondContact O-N 3.46Å; E70-R73 VanDerWaalsContact O-N 3.07Å; R73-I75 PolarHBondContact O-N 3.29Å; R73-T76 PolarHBondContact O-N 2.62Å; R73-T76 VanDerWaalsContact O-N 3.09Å; R73-S77 PolarHBondContact O-N 3.31Å; R73-S77 VanDerWaalsContact O-N 3.16Å; R73-W104 HydrophobicContact CG-CH2 4.41Å; R73-E107 IonicContact CZ-OE2 2.8Å; R73-E107 IonicContact NE-OE2 2.72Å; R73-E107 PolarHBondContact NE-OE2 2.97Å; R73-E107 IonicContact NH2-OE2 3.45Å; R73-E107 PolarHBondContact NH2-OE2 3.03Å
74	A	66	Low	79.4	Confident	91 Å²	91	55.6 Å²	55.6	75%	0.752	27%	0.274	S	S	*	.	H	α-helix	trans	-62	-25.8	178.3	0	0	0	0	0	112.8	Y72	Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 3.19Å
75	I	70.2	Confident	79.6	Confident	94 Å²	94	52.9 Å²	52.9	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-86.2	-38.4	175	-63	167.5	0	0	0	109.7	Y72 R73 S77 A78 Y79	Y72-I75 HydrophobicContact CD1-CD1 4.42Å; Y72-I75 WeakPolarHBondContact O-CA 3.24Å; Y72-I75 WeakPolarHBondContact O-CB 3.47Å; Y72-I75 PolarHBondContact O-N 3.3Å; R73-I75 PolarHBondContact O-N 3.29Å; I75-S77 PolarHBondContact O-N 3.11Å; I75-A78 PolarHBondContact O-N 3.34Å; I75-Y79 HydrophobicContact CG2-CE2 3.94Å; I75-Y79 VanDerWaalsContact O-CD2 3.26Å; I75-Y79 WeakPolarHBondContact O-CD2 3.17Å; I75-Y79 WeakPolarHBondContact O-CE2 3.33Å
76	T	72.4	Confident	79.8	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-37.5	-176.4	-52.1	0	0	0	0	113.7	T66 Y72 R73 A78 Y79 Y80	T66-T76 HydrophobicContact CG2-CG2 3.75Å; Y72-T76 PolarHBondContact O-N 3.33Å; Y72-T76 PolarHBondContact O-OG1 3.46Å; Y72-T76 VanDerWaalsContact O-OG1 3.09Å; R73-T76 PolarHBondContact O-N 2.62Å; R73-T76 VanDerWaalsContact O-N 3.09Å; T76-A78 PolarHBondContact O-N 2.67Å; T76-Y79 WeakPolarHBondContact O-CB 3.29Å; T76-Y79 PolarHBondContact O-N 2.96Å; T76-Y80 HydrophobicContact CG2-CE1 3.67Å; T76-Y80 VanDerWaalsContact CG2-OH 3.29Å; T76-Y80 WeakPolarHBondContact CG2-OH 3.3Å
77	S	75	Confident	80.3	Confident	30 Å²	30	53 Å²	53	21%	0.21	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-30.4	-177.4	62.4	0	0	0	0	113.7	R73 I75 Y79 Y80	R73-S77 PolarHBondContact O-N 3.31Å; R73-S77 VanDerWaalsContact O-N 3.16Å; I75-S77 PolarHBondContact O-N 3.11Å; S77-Y79 PolarHBondContact O-N 3.15Å; S77-Y80 PolarHBondContact O-N 2.87Å
78	A	82	Confident	81.1	Confident	71 Å²	71	53 Å²	53	59%	0.587	26%	0.264	S	S	*	.	H	α-helix	trans	-61.8	-27.4	175.5	0	0	0	0	0	112.7	I75 T76	I75-A78 PolarHBondContact O-N 3.34Å; T76-A78 PolarHBondContact O-N 2.67Å
79	Y	86.2	Confident	82.3	Confident	68 Å²	68	52.9 Å²	52.9	27%	0.267	26%	0.263	S	S	.	.	H	α-helix	trans	-82.5	-17.9	-178	-63.9	-86.9	0	0	0	113.2	K12 V45 W64 I75 T76 S77 R81	K12-Y79 WeakPolarHBondContact CE-O 3.47Å; K12-Y79 PolarHBondContact NZ-O 3.44Å; V45-Y79 HydrophobicContact CB-CD1 4.37Å; V45-Y79 HydrophobicContact CB-CE1 4.04Å; V45-Y79 HydrophobicContact CB-CE2 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.98Å; V45-Y79 HydrophobicContact CG1-CE1 4.05Å; V45-Y79 HydrophobicContact CG1-CG 4.29Å; V45-Y79 HydrophobicContact CG2-CD1 4.25Å; V45-Y79 HydrophobicContact CG2-CD2 3.62Å; V45-Y79 HydrophobicContact CG2-CE1 4.08Å; V45-Y79 HydrophobicContact CG2-CE2 3.42Å; V45-Y79 VanDerWaalsContact CG2-CE2 3.42Å; V45-Y79 HydrophobicContact CG2-CG 4.02Å; W64-Y79 HydrophobicContact CD2-CD1 4.19Å; W64-Y79 AromaticContact CE3-CD1 3.49Å; W64-Y79 HydrophobicContact CE3-CD1 3.49Å; W64-Y79 VanDerWaalsContact CE3-CD1 3.49Å; W64-Y79 AromaticContact CE3-CE1 3.82Å; W64-Y79 HydrophobicContact CE3-CE1 3.82Å; W64-Y79 HydrophobicContact CH2-CD1 4.31Å; W64-Y79 HydrophobicContact CH2-CE1 4.29Å; W64-Y79 AromaticContact CZ3-CD1 3.56Å; W64-Y79 HydrophobicContact CZ3-CD1 3.56Å; W64-Y79 AromaticContact CZ3-CE1 3.47Å; W64-Y79 HydrophobicContact CZ3-CE1 3.47Å; W64-Y79 VanDerWaalsContact CZ3-CE1 3.47Å; I75-Y79 HydrophobicContact CG2-CE2 3.94Å; I75-Y79 VanDerWaalsContact O-CD2 3.26Å; I75-Y79 WeakPolarHBondContact O-CD2 3.17Å; I75-Y79 WeakPolarHBondContact O-CE2 3.33Å; T76-Y79 WeakPolarHBondContact O-CB 3.29Å; T76-Y79 PolarHBondContact O-N 2.96Å; S77-Y79 PolarHBondContact O-N 3.15Å; Y79-R81 VanDerWaalsContact C-N 3.3Å; Y79-R81 PolarHBondContact O-N 3.5Å
80	Y	89.7	Confident	83.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.5	-24.8	176.6	-57.5	-18.9	0	0	0	112.6	V14 I16 T66 T76 S77 G82 A83 E107 L108 H111	V14-Y80 HydrophobicContact CG1-CD1 4.43Å; V14-Y80 HydrophobicContact CG2-CD1 4.33Å; I16-Y80 HydrophobicContact CG2-CD1 4.39Å; I16-Y80 HydrophobicContact CG2-CE1 3.5Å; I16-Y80 VanDerWaalsContact CG2-CE1 3.5Å; T66-Y80 HydrophobicContact CG2-CE1 4.44Å; T76-Y80 HydrophobicContact CG2-CE1 3.67Å; T76-Y80 VanDerWaalsContact CG2-OH 3.29Å; T76-Y80 WeakPolarHBondContact CG2-OH 3.3Å; S77-Y80 PolarHBondContact O-N 2.87Å; Y80-G82 PolarHBondContact O-N 2.64Å; Y80-A83 WeakPolarHBondContact O-CB 3.47Å; Y80-A83 PolarHBondContact O-N 2.74Å; Y80-E107 HydrophobicContact CE2-CG 3.91Å; Y80-E107 WeakPolarHBondContact CE2-OE1 3.2Å; Y80-E107 PolarHBondContact OH-OE1 3.32Å; Y80-L108 HydrophobicContact CD1-CD1 4.29Å; Y80-L108 HydrophobicContact CD2-CD1 4.45Å; Y80-L108 HydrophobicContact CG-CD1 4.16Å; Y80-H111 HydrophobicContact CD2-CB 4.02Å
81	R	88.3	Confident	85.4	Confident	205 Å²	205	43.2 Å²	43.2	77%	0.774	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	124.5	-179.3	-171.9	177.8	-179.4	129.8	0.7	111.2	K12 Y79 A83	K12-R81 PolarHBondContact NZ-O 2.87Å; Y79-R81 VanDerWaalsContact C-N 3.3Å; Y79-R81 PolarHBondContact O-N 3.5Å; R81-A83 PolarHBondContact O-N 3.01Å
82	G	88.6	Confident	87	Confident	19 Å²	19	33.3 Å²	33.3	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	6.7	-178.9	0	0	0	0	0	114.7	Y80 V84	Y80-G82 PolarHBondContact O-N 2.64Å; G82-V84 PolarHBondContact O-N 2.99Å
83	A	93.8	Very high	88.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.			trans	-68	130.7	167.4	0	0	0	0	0	109.2	K12 V14 Y80 R81 D113 I116	K12-A83 HydrophobicContact CG-CB 4.39Å; V14-A83 HydrophobicContact CG1-CB 3.78Å; V14-A83 HydrophobicContact CG2-CB 4.12Å; Y80-A83 WeakPolarHBondContact O-CB 3.47Å; Y80-A83 PolarHBondContact O-N 2.74Å; R81-A83 PolarHBondContact O-N 3.01Å; A83-D113 WeakPolarHBondContact O-CB 3.49Å; A83-I116 HydrophobicContact CB-CD1 4.08Å
84	V	95.1	Very high	90	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.024	19%	0.189	C	C	.	.			trans	-108.6	-12.7	178.6	-63.9	0	0	0	0	111.7	F11 K12 G82 V117 I171 I185 N186 A187	F11-V84 HydrophobicContact CB-CG2 3.94Å; F11-V84 HydrophobicContact CD1-CG2 4.39Å; F11-V84 HydrophobicContact CG-CG2 4.36Å; K12-V84 WeakPolarHBondContact O-CG2 3.29Å; K12-V84 PolarHBondContact O-N 3.4Å; G82-V84 PolarHBondContact O-N 2.99Å; V84-V117 PolarHBondContact O-N 3.02Å; V84-I171 HydrophobicContact CB-CG2 4.27Å; V84-I171 HydrophobicContact CG2-CD1 4.26Å; V84-I171 HydrophobicContact CG2-CG2 3.95Å; V84-I171 WeakPolarHBondContact O-CG1 3.37Å; V84-I185 HydrophobicContact CB-CG2 4.07Å; V84-I185 HydrophobicContact CG1-CG2 3.5Å; V84-N186 HydrophobicContact CG1-CB 4.05Å; V84-A187 HydrophobicContact CG1-CB 4.44Å
85	G	97.1	Very high	91.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.9	170.4	0	0	0	0	0	113	K12 V13 V14 V117	K12-G85 PolarHBondContact O-N 2.93Å; V13-G85 VanDerWaalsContact CA-O 3.27Å; V13-G85 WeakPolarHBondContact CA-O 3.29Å; V14-G85 PolarHBondContact N-O 3.01Å; G85-V117 CarbonylContact C-O 3.59Å; G85-V117 VanDerWaalsContact CA-O 3.23Å; G85-V117 WeakPolarHBondContact CA-O 3.47Å
86	A	97.9	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143	168.7	0	0	0	0	0	112	V14 L108 I116 V117 V118 M119	V14-A86 HydrophobicContact CG2-CB 3.75Å; V14-A86 CarbonylContact O-C 3.56Å; V14-A86 VanDerWaalsContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CA 3.36Å; A86-L108 HydrophobicContact CB-CD1 4.23Å; A86-L108 HydrophobicContact CB-CD2 3.52Å; A86-I116 HydrophobicContact CB-CD1 4Å; A86-V117 PolarHBondContact N-O 3.41Å; A86-V118 HydrophobicContact CB-CG1 4.39Å; A86-V118 HydrophobicContact CB-CG2 4.4Å; A86-V118 WeakPolarHBondContact O-CA 3.38Å; A86-M119 PolarHBondContact O-N 3.28Å
87	L	98.4	Very high	93.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.5	160.9	-66.4	84.1	0	0	0	107.7	V13 V14 L15 I16 V89 M119 V121 A163 F164 V167	V13-L87 HydrophobicContact CG1-CD1 3.55Å; V14-L87 PolarHBondContact O-N 3.18Å; L15-L87 HydrophobicContact CD2-CB 3.72Å; L15-L87 HydrophobicContact CD2-CD1 3.7Å; L15-L87 HydrophobicContact CD2-CD2 4.36Å; L15-L87 HydrophobicContact CD2-CG 4.12Å; I16-L87 PolarHBondContact N-O 2.87Å; L87-V89 HydrophobicContact CB-CG2 4.32Å; L87-M119 WeakPolarHBondContact CA-O 3.38Å; L87-V121 HydrophobicContact CB-CG2 4.14Å; L87-V121 HydrophobicContact CD2-CG2 4Å; L87-V121 HydrophobicContact CG-CG2 4.33Å; L87-A163 HydrophobicContact CD2-CB 4.04Å; L87-F164 HydrophobicContact CD1-CD1 3.93Å; L87-F164 HydrophobicContact CD1-CE1 3.8Å; L87-F164 HydrophobicContact CD1-CZ 4.44Å; L87-F164 HydrophobicContact CD2-CD1 4.35Å; L87-F164 HydrophobicContact CD2-CD2 4.35Å; L87-F164 HydrophobicContact CD2-CE1 4.17Å; L87-F164 HydrophobicContact CD2-CE2 4.17Å; L87-F164 HydrophobicContact CD2-CG 4.44Å; L87-F164 HydrophobicContact CD2-CZ 4.08Å; L87-V167 HydrophobicContact CD1-CG2 4.45Å; L87-V167 HydrophobicContact CG-CG2 4.47Å
88	L	98.1	Very high	95	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	106.5	175.8	174.2	53.2	0	0	0	108.5	I16 V101 W104 L105 V118 M119 L120 V121	I16-L88 HydrophobicContact CD1-CB 4.31Å; I16-L88 HydrophobicContact CD1-CD1 3.91Å; I16-L88 HydrophobicContact CG1-CB 4.07Å; I16-L88 HydrophobicContact CG1-CD1 3.76Å; I16-L88 HydrophobicContact CG1-CG 4.48Å; L88-V101 HydrophobicContact CD2-CB 4.47Å; L88-V101 HydrophobicContact CD2-CG1 3.53Å; L88-V101 HydrophobicContact CG-CG1 4.02Å; L88-W104 HydrophobicContact CD1-CB 3.56Å; L88-W104 HydrophobicContact CD1-CG 4.32Å; L88-L105 HydrophobicContact CD2-CB 3.86Å; L88-L105 HydrophobicContact CD2-CD1 4.15Å; L88-V118 HydrophobicContact CB-CG1 4.3Å; L88-M119 PolarHBondContact N-O 3.26Å; L88-L120 HydrophobicContact CG-CD1 4.19Å; L88-L120 CarbonylContact O-C 3.59Å; L88-L120 WeakPolarHBondContact O-CA 3.24Å; L88-V121 PolarHBondContact O-N 3.45Å
89	V	98.5	Very high	95.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.2	-166.6	-169.1	0	0	0	0	111	I16 V21 K23 L26 L87 V121 N123	I16-V89 PolarHBondContact O-N 3.38Å; V21-V89 HydrophobicContact CB-CG1 4.24Å; V21-V89 HydrophobicContact CG2-CB 3.89Å; V21-V89 HydrophobicContact CG2-CG1 3.84Å; K23-V89 HydrophobicContact CG-CB 4.09Å; K23-V89 HydrophobicContact CG-CG2 4.09Å; L26-V89 HydrophobicContact CD1-CG1 3.83Å; L26-V89 HydrophobicContact CD1-CG2 4.01Å; L87-V89 HydrophobicContact CB-CG2 4.32Å; V89-V121 WeakPolarHBondContact CA-O 3.49Å; V89-V121 HydrophobicContact CG1-CB 4.46Å; V89-V121 HydrophobicContact CG1-CG1 4.45Å; V89-V121 HydrophobicContact CG2-CB 4.23Å; V89-N123 HydrophobicContact CG1-CB 3.78Å
90	Y	98.7	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	165.8	166.4	73.5	-83	0	0	0	110.7	I92 Y98 V101 L120 V121 N123 V133 A138 F149	Y90-I92 HydrophobicContact CE2-CG2 3.91Å; Y90-Y98 HydrophobicContact CD1-CD2 4.25Å; Y90-Y98 HydrophobicContact CD2-CD2 4.12Å; Y90-Y98 HydrophobicContact CD2-CG 4.48Å; Y90-Y98 HydrophobicContact CE1-CD2 4.27Å; Y90-Y98 HydrophobicContact CE2-CD2 4.16Å; Y90-Y98 HydrophobicContact CG-CD2 4.17Å; Y90-V101 HydrophobicContact CD1-CG2 4.38Å; Y90-V101 HydrophobicContact CG-CG2 4.45Å; Y90-L120 HydrophobicContact CD1-CD1 3.64Å; Y90-L120 HydrophobicContact CD1-CG 4.18Å; Y90-L120 HydrophobicContact CE1-CD1 3.9Å; Y90-L120 HydrophobicContact CE1-CD2 4.23Å; Y90-L120 HydrophobicContact CE1-CG 3.9Å; Y90-V121 VanDerWaalsContact CD1-O 3.26Å; Y90-V121 WeakPolarHBondContact CD1-O 3.18Å; Y90-V121 PolarHBondContact N-O 3.16Å; Y90-N123 PolarHBondContact O-N 2.82Å; Y90-V133 HydrophobicContact CD2-CG1 4.46Å; Y90-V133 HydrophobicContact CD2-CG2 4.24Å; Y90-V133 HydrophobicContact CE2-CB 3.86Å; Y90-V133 HydrophobicContact CE2-CG1 3.67Å; Y90-V133 HydrophobicContact CE2-CG2 4.07Å; Y90-A138 HydrophobicContact CE1-CB 4.14Å; Y90-A138 WeakPolarHBondContact OH-CB 3.49Å; Y90-F149 HydrophobicContact CE1-CE2 4.46Å
91	D	98.4	Very high	96.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.8	176.3	-179.5	-14.9	0	0	0	109	V21 T93 K94 T97 K124	V21-D91 HydrophobicContact CB-CB 4.42Å; V21-D91 HydrophobicContact CG1-CB 4.29Å; D91-T93 VanDerWaalsContact CG-OG1 3.23Å; D91-T93 PolarHBondContact O-N 2.91Å; D91-T93 VanDerWaalsContact O-N 3.11Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 3.08Å; D91-T93 PolarHBondContact OD1-OG1 3.05Å; D91-T93 PolarHBondContact OD2-OG1 2.83Å; D91-K94 HydrophobicContact CB-CB 4.24Å; D91-K94 PolarHBondContact O-N 2.97Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 2.83Å; D91-T97 PolarHBondContact O-OG1 3.34Å; D91-K124 VanDerWaalsContact OD2-CE 3.24Å; D91-K124 WeakPolarHBondContact OD2-CE 3.41Å; D91-K124 IonicContact OD2-NZ 2.95Å; D91-K124 PolarHBondContact OD2-NZ 3.09Å
92	I	98.7	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.6	-177.7	67.4	160.1	0	0	0	113.2	Y90 N123 K124 T125 S132 V133	Y90-I92 HydrophobicContact CE2-CG2 3.91Å; I92-N123 PolarHBondContact N-O 2.93Å; I92-K124 WeakPolarHBondContact CD1-O 3.26Å; I92-T125 HydrophobicContact CD1-CG2 4.35Å; I92-S132 PolarHBondContact O-N 3.31Å; I92-V133 PolarHBondContact O-N 2.81Å
93	T	98.4	Very high	97	Very high	23 Å²	23	34.2 Å²	34.2	14%	0.141	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.4	179.7	70.3	0	0	0	0	112.4	D91 L127 E130 S132	D91-T93 VanDerWaalsContact CG-OG1 3.23Å; D91-T93 PolarHBondContact O-N 2.91Å; D91-T93 VanDerWaalsContact O-N 3.11Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 3.08Å; D91-T93 PolarHBondContact OD1-OG1 3.05Å; D91-T93 PolarHBondContact OD2-OG1 2.83Å; T93-L127 HydrophobicContact CG2-CB 3.58Å; T93-L127 HydrophobicContact CG2-CD1 4.03Å; T93-L127 HydrophobicContact CG2-CG 4.47Å; T93-E130 WeakPolarHBondContact CA-O 3.2Å; T93-E130 WeakPolarHBondContact CB-O 3.49Å; T93-E130 HydrophobicContact CG2-CB 3.79Å; T93-S132 PolarHBondContact O-OG 3.42Å
94	K	97.6	Very high	97	Very high	116 Å²	116	34.3 Å²	34.3	50%	0.504	16%	0.161	S	C	.	.			trans	-129.6	96.7	-175.3	-61.6	-178.4	-175.3	-178.3	0	112.7	D91 L96 T97 S132	D91-K94 HydrophobicContact CB-CB 4.24Å; D91-K94 PolarHBondContact O-N 2.97Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 PolarHBondContact O-N 2.81Å; K94-L96 VanDerWaalsContact O-N 3.17Å; K94-T97 HydrophobicContact CB-CG2 3.84Å; K94-T97 HydrophobicContact CD-CG2 4.49Å; K94-T97 WeakPolarHBondContact O-CB 3.19Å; K94-T97 PolarHBondContact O-N 2.93Å; K94-T97 PolarHBondContact O-OG1 3.44Å; K94-S132 WeakPolarHBondContact CA-OG 3.23Å; K94-S132 PolarHBondContact N-OG 3.15Å
95	H	96.9	Very high	97	Very high	64 Å²	64	34.4 Å²	34.4	30%	0.296	16%	0.161	S	C	.	.	H	α-helix	trans	-52.9	-37.9	179.6	-159.2	74.1	0	0	0	114.5	T97 Y98 E99 S132 V133 E137	H95-T97 PolarHBondContact O-N 2.86Å; H95-T97 VanDerWaalsContact O-N 3.11Å; H95-Y98 WeakPolarHBondContact O-CA 3.25Å; H95-Y98 WeakPolarHBondContact O-CB 3.47Å; H95-Y98 PolarHBondContact O-N 3.17Å; H95-E99 IonicContact CD2-OE1 3.99Å; H95-E99 PolarHBondContact CD2-OE1 2.89Å; H95-E99 IonicContact NE2-OE1 3.45Å; H95-E99 PolarHBondContact O-N 3.39Å; H95-S132 PolarHBondContact N-OG 2.81Å; H95-S132 PolarHBondContact ND1-O 2.54Å; H95-V133 HydrophobicContact CB-CG2 4.41Å; H95-E137 IonicContact CE1-OE1 3.07Å; H95-E137 PolarHBondContact CE1-OE1 3.4Å
96	L	96.4	Very high	96.9	Very high	124 Å²	124	41 Å²	41	65%	0.649	19%	0.19	S	C	*	.	H	α-helix	trans	-57.3	-29.8	176.1	-65.5	177.2	0	0	0	113.8	K94 Y98 E99 S100	K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 PolarHBondContact O-N 2.81Å; K94-L96 VanDerWaalsContact O-N 3.17Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; L96-E99 WeakPolarHBondContact CD2-OE2 3.42Å; L96-S100 PolarHBondContact O-N 2.88Å; L96-S100 PolarHBondContact O-OG 2.84Å
97	T	97.4	Very high	96.6	Very high	15 Å²	15	42 Å²	42	9%	0.092	20%	0.195	C	C	.	.	H	α-helix	trans	-73.6	-30.8	176.5	70.7	0	0	0	0	111.6	E18 V21 D91 K94 H95	E18-T97 HydrophobicContact CB-CG2 4.18Å; V21-T97 HydrophobicContact CG1-CG2 3.85Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 2.83Å; D91-T97 PolarHBondContact O-OG1 3.34Å; K94-T97 HydrophobicContact CB-CG2 3.84Å; K94-T97 HydrophobicContact CD-CG2 4.49Å; K94-T97 WeakPolarHBondContact O-CB 3.19Å; K94-T97 PolarHBondContact O-N 2.93Å; K94-T97 PolarHBondContact O-OG1 3.44Å; H95-T97 PolarHBondContact O-N 2.86Å; H95-T97 VanDerWaalsContact O-N 3.11Å
98	Y	97.9	Very high	96.3	Very high	24 Å²	24	42 Å²	42	9%	0.094	19%	0.194	C	C	.	.	H	α-helix	trans	-73.6	-43.7	173.8	174.9	-101.2	0	0	0	111.8	Y90 H95 L96 S100 V101 V133 E137 A138 F141	Y90-Y98 HydrophobicContact CD1-CD2 4.25Å; Y90-Y98 HydrophobicContact CD2-CD2 4.12Å; Y90-Y98 HydrophobicContact CD2-CG 4.48Å; Y90-Y98 HydrophobicContact CE1-CD2 4.27Å; Y90-Y98 HydrophobicContact CE2-CD2 4.16Å; Y90-Y98 HydrophobicContact CG-CD2 4.17Å; H95-Y98 WeakPolarHBondContact O-CA 3.25Å; H95-Y98 WeakPolarHBondContact O-CB 3.47Å; H95-Y98 PolarHBondContact O-N 3.17Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; Y98-S100 PolarHBondContact O-N 3.19Å; Y98-V101 HydrophobicContact CD2-CG2 4.28Å; Y98-V101 WeakPolarHBondContact O-CB 3.23Å; Y98-V101 WeakPolarHBondContact O-CG2 3.5Å; Y98-V101 PolarHBondContact O-N 3.35Å; Y98-V133 HydrophobicContact CD1-CG1 4.22Å; Y98-V133 HydrophobicContact CD2-CG1 3.95Å; Y98-V133 HydrophobicContact CE2-CG1 4.38Å; Y98-V133 HydrophobicContact CG-CG1 3.86Å; Y98-V133 HydrophobicContact CG-CG2 4.25Å; Y98-E137 HydrophobicContact CE1-CG 4.22Å; Y98-E137 WeakPolarHBondContact CE1-OE1 3.43Å; Y98-E137 PolarHBondContact OH-O 3.36Å; Y98-A138 HydrophobicContact CD2-CB 4.45Å; Y98-A138 HydrophobicContact CE2-CB 3.82Å; Y98-F141 VanDerWaalsContact OH-CB 3.29Å; Y98-F141 WeakPolarHBondContact OH-CB 2.98Å
99	E	96.5	Very high	96.1	Very high	117 Å²	117	46.9 Å²	46.9	55%	0.547	21%	0.214	S	C	.	.	H	α-helix	trans	-55.4	-30.5	174.1	-68.9	178	179.6	0	0	112.6	H95 L96 V101	H95-E99 IonicContact CD2-OE1 3.99Å; H95-E99 PolarHBondContact CD2-OE1 2.89Å; H95-E99 IonicContact NE2-OE1 3.45Å; H95-E99 PolarHBondContact O-N 3.39Å; L96-E99 WeakPolarHBondContact CD2-OE2 3.42Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.89Å
100	S	94.8	Very high	95.7	Very high	12 Å²	12	52 Å²	52	8%	0.084	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-15	179.7	-60.8	0	0	0	0	113.8	E18 L96 Y98 E102 R103 W104	E18-S100 WeakPolarHBondContact OE1-CB 3.39Å; E18-S100 PolarHBondContact OE1-OG 3.37Å; L96-S100 PolarHBondContact O-N 2.88Å; L96-S100 PolarHBondContact O-OG 2.84Å; Y98-S100 PolarHBondContact O-N 3.19Å; S100-E102 VanDerWaalsContact C-N 3.34Å; S100-E102 PolarHBondContact O-N 3.07Å; S100-R103 VanDerWaalsContact O-CB 3.31Å; S100-R103 WeakPolarHBondContact O-CB 3.1Å; S100-R103 PolarHBondContact O-N 3.1Å; S100-R103 VanDerWaalsContact O-N 3.15Å; S100-R103 PolarHBondContact OG-NH2 2.85Å; S100-W104 PolarHBondContact O-N 2.83Å; S100-W104 VanDerWaalsContact O-N 3.15Å
101	V	96.6	Very high	95.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-55.1	-46.5	-177	166.5	0	0	0	0	111.5	L88 Y90 Y98 E99 R103 W104 L105 L120 F141	L88-V101 HydrophobicContact CD2-CB 4.47Å; L88-V101 HydrophobicContact CD2-CG1 3.53Å; L88-V101 HydrophobicContact CG-CG1 4.02Å; Y90-V101 HydrophobicContact CD1-CG2 4.38Å; Y90-V101 HydrophobicContact CG-CG2 4.45Å; Y98-V101 HydrophobicContact CD2-CG2 4.28Å; Y98-V101 WeakPolarHBondContact O-CB 3.23Å; Y98-V101 WeakPolarHBondContact O-CG2 3.5Å; Y98-V101 PolarHBondContact O-N 3.35Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.89Å; V101-R103 VanDerWaalsContact C-N 3.26Å; V101-R103 PolarHBondContact O-N 2.79Å; V101-W104 PolarHBondContact O-N 3.1Å; V101-L105 WeakPolarHBondContact O-CB 3.5Å; V101-L105 PolarHBondContact O-N 2.95Å; V101-L120 HydrophobicContact CG1-CD1 3.66Å; V101-L120 HydrophobicContact CG2-CD1 3.99Å; V101-F141 HydrophobicContact CG1-CD1 4.46Å; V101-F141 HydrophobicContact CG1-CE1 3.61Å; V101-F141 HydrophobicContact CG1-CZ 3.94Å
102	E	96.1	Very high	94.8	Very high	108 Å²	108	56.9 Å²	56.9	51%	0.505	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-35.8	-177.7	-174.1	160.3	-140.6	0	0	112.2	S100 L105 K106 F141 K145	S100-E102 VanDerWaalsContact C-N 3.34Å; S100-E102 PolarHBondContact O-N 3.07Å; E102-L105 PolarHBondContact O-N 3.09Å; E102-K106 WeakPolarHBondContact O-CB 3.33Å; E102-K106 PolarHBondContact O-N 3.01Å; E102-F141 HydrophobicContact CB-CZ 4.44Å; E102-K145 IonicContact OE1-NZ 3.15Å; E102-K145 PolarHBondContact OE1-NZ 3.09Å
103	R	94	Very high	94.3	Very high	106 Å²	106	57.1 Å²	57.1	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-45.1	176.1	-158.3	-161.1	-26.1	165.7	15	111.7	E18 S100 V101 E107	E18-R103 IonicContact OE1-CZ 3.61Å; E18-R103 IonicContact OE1-NH2 2.73Å; E18-R103 PolarHBondContact OE1-NH2 3.31Å; S100-R103 VanDerWaalsContact O-CB 3.31Å; S100-R103 WeakPolarHBondContact O-CB 3.1Å; S100-R103 PolarHBondContact O-N 3.1Å; S100-R103 VanDerWaalsContact O-N 3.15Å; S100-R103 PolarHBondContact OG-NH2 2.85Å; V101-R103 VanDerWaalsContact C-N 3.26Å; V101-R103 PolarHBondContact O-N 2.79Å; R103-E107 PolarHBondContact O-N 2.91Å; R103-E107 VanDerWaalsContact O-N 3.11Å
104	W	94.3	Very high	93.6	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-67	-39.5	177.4	-75.4	108.3	0	0	0	111.7	I16 E18 R73 L88 S100 V101 E107 L108	I16-W104 HydrophobicContact CB-CE3 4.42Å; I16-W104 HydrophobicContact CD1-CB 4.36Å; E18-W104 PolarHBondContact OE1-NE1 3.48Å; R73-W104 HydrophobicContact CG-CH2 4.41Å; L88-W104 HydrophobicContact CD1-CB 3.56Å; L88-W104 HydrophobicContact CD1-CG 4.32Å; S100-W104 PolarHBondContact O-N 2.83Å; S100-W104 VanDerWaalsContact O-N 3.15Å; V101-W104 PolarHBondContact O-N 3.1Å; W104-E107 PolarHBondContact O-N 3.25Å; W104-L108 WeakPolarHBondContact O-CB 3.24Å; W104-L108 PolarHBondContact O-N 3.26Å
105	L	95.2	Very high	93.1	Very high	7 Å²	7	60.1 Å²	60.1	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-45	176.2	-174.8	63.1	0	0	0	111.6	L88 V101 E102 L108 Y109 V118 F141 K145 L147	L88-L105 HydrophobicContact CD2-CB 3.86Å; L88-L105 HydrophobicContact CD2-CD1 4.15Å; V101-L105 WeakPolarHBondContact O-CB 3.5Å; V101-L105 PolarHBondContact O-N 2.95Å; E102-L105 PolarHBondContact O-N 3.09Å; L105-L108 WeakPolarHBondContact O-CB 3.5Å; L105-L108 PolarHBondContact O-N 3.15Å; L105-Y109 HydrophobicContact CD1-CD2 4.2Å; L105-Y109 HydrophobicContact CD1-CE1 4.38Å; L105-Y109 HydrophobicContact CD1-CE2 3.55Å; L105-Y109 HydrophobicContact CD2-CE2 4.1Å; L105-Y109 HydrophobicContact CG-CD2 4.03Å; L105-Y109 HydrophobicContact CG-CE2 3.6Å; L105-Y109 WeakPolarHBondContact O-CD2 3.19Å; L105-Y109 PolarHBondContact O-N 3.36Å; L105-V118 HydrophobicContact CD1-CG1 4.05Å; L105-F141 HydrophobicContact CD2-CZ 4.36Å; L105-K145 HydrophobicContact CD2-CB 4.36Å; L105-K145 HydrophobicContact CD2-CD 4.39Å; L105-K145 HydrophobicContact CD2-CG 4.3Å; L105-L147 HydrophobicContact CD1-CD1 4.44Å; L105-L147 HydrophobicContact CD1-CD2 3.98Å; L105-L147 HydrophobicContact CD2-CD1 4.05Å; L105-L147 HydrophobicContact CD2-CD2 4.32Å
106	K	93.8	Very high	93	Very high	137 Å²	137	57.4 Å²	57.4	60%	0.596	28%	0.279	S	S	*	.	H	α-helix	trans	-59.4	-50	175.4	-173.7	-172.5	174.7	-166.3	0	111.3	E102 L108 Y109 D110	E102-K106 WeakPolarHBondContact O-CB 3.33Å; E102-K106 PolarHBondContact O-N 3.01Å; K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 2.78Å; K106-Y109 PolarHBondContact O-N 3.21Å; K106-Y109 VanDerWaalsContact O-N 3.17Å; K106-D110 VanDerWaalsContact O-CG 3.27Å; K106-D110 PolarHBondContact O-N 3.48Å
107	E	91.1	Very high	93	Very high	23 Å²	23	51.8 Å²	51.8	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-38.4	179.8	-167	-171.7	113.7	0	0	112.3	R73 Y80 R103 W104 D110 H111	R73-E107 IonicContact CZ-OE2 2.8Å; R73-E107 IonicContact NE-OE2 2.72Å; R73-E107 PolarHBondContact NE-OE2 2.97Å; R73-E107 IonicContact NH2-OE2 3.45Å; R73-E107 PolarHBondContact NH2-OE2 3.03Å; Y80-E107 HydrophobicContact CE2-CG 3.91Å; Y80-E107 WeakPolarHBondContact CE2-OE1 3.2Å; Y80-E107 PolarHBondContact OH-OE1 3.32Å; R103-E107 PolarHBondContact O-N 2.91Å; R103-E107 VanDerWaalsContact O-N 3.11Å; W104-E107 PolarHBondContact O-N 3.25Å; E107-D110 PolarHBondContact O-N 3.42Å; E107-H111 PolarHBondContact O-ND1 3.38Å
108	L	93	Very high	93.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-52	174.7	-179.7	69.4	0	0	0	110.8	V14 I16 Y80 A86 W104 L105 K106 D110 H111 A112 I116 V118	V14-L108 HydrophobicContact CG2-CD1 3.94Å; I16-L108 HydrophobicContact CD1-CB 3.88Å; I16-L108 HydrophobicContact CD1-CD1 4.27Å; I16-L108 HydrophobicContact CD1-CD2 3.88Å; I16-L108 HydrophobicContact CD1-CG 4.23Å; Y80-L108 HydrophobicContact CD1-CD1 4.29Å; Y80-L108 HydrophobicContact CD2-CD1 4.45Å; Y80-L108 HydrophobicContact CG-CD1 4.16Å; A86-L108 HydrophobicContact CB-CD1 4.23Å; A86-L108 HydrophobicContact CB-CD2 3.52Å; W104-L108 WeakPolarHBondContact O-CB 3.24Å; W104-L108 PolarHBondContact O-N 3.26Å; L105-L108 WeakPolarHBondContact O-CB 3.5Å; L105-L108 PolarHBondContact O-N 3.15Å; K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 2.78Å; L108-D110 VanDerWaalsContact C-N 3.27Å; L108-D110 PolarHBondContact O-N 2.92Å; L108-H111 PolarHBondContact O-N 3.44Å; L108-A112 HydrophobicContact CD1-CB 3.88Å; L108-A112 HydrophobicContact CG-CB 4.19Å; L108-A112 WeakPolarHBondContact O-CB 3.29Å; L108-A112 PolarHBondContact O-N 2.89Å; L108-I116 HydrophobicContact CD1-CD1 3.86Å; L108-I116 HydrophobicContact CD2-CD1 4.08Å; L108-I116 HydrophobicContact CG-CD1 4.15Å; L108-V118 HydrophobicContact CD2-CG1 4.26Å; L108-V118 HydrophobicContact CD2-CG2 3.69Å
109	Y	93.6	Very high	93.1	Very high	104 Å²	104	50.3 Å²	50.3	41%	0.408	24%	0.243	S	C	.	.	H	α-helix	trans	-65.9	-28.1	-178.9	-69.4	-35	0	0	0	113.7	L105 K106 H111 I116 V118 L147	L105-Y109 HydrophobicContact CD1-CD2 4.2Å; L105-Y109 HydrophobicContact CD1-CE1 4.38Å; L105-Y109 HydrophobicContact CD1-CE2 3.55Å; L105-Y109 HydrophobicContact CD2-CE2 4.1Å; L105-Y109 HydrophobicContact CG-CD2 4.03Å; L105-Y109 HydrophobicContact CG-CE2 3.6Å; L105-Y109 WeakPolarHBondContact O-CD2 3.19Å; L105-Y109 PolarHBondContact O-N 3.36Å; K106-Y109 PolarHBondContact O-N 3.21Å; K106-Y109 VanDerWaalsContact O-N 3.17Å; Y109-H111 PolarHBondContact O-N 3.04Å; Y109-I116 HydrophobicContact CD1-CG2 3.9Å; Y109-I116 HydrophobicContact CE1-CG2 3.69Å; Y109-V118 HydrophobicContact CE1-CG2 3.96Å; Y109-L147 WeakPolarHBondContact OH-CD2 3.46Å
110	D	91.1	Very high	93.2	Very high	107 Å²	107	44.8 Å²	44.8	57%	0.572	22%	0.217	S	C	*	.	H	α-helix	trans	-68.4	-20.5	176.6	-70.8	-20.2	0	0	0	113	K106 E107 L108	K106-D110 VanDerWaalsContact O-CG 3.27Å; K106-D110 PolarHBondContact O-N 3.48Å; E107-D110 PolarHBondContact O-N 3.42Å; L108-D110 VanDerWaalsContact C-N 3.27Å; L108-D110 PolarHBondContact O-N 2.92Å
111	H	88.8	Confident	93.4	Very high	89 Å²	89	44.2 Å²	44.2	41%	0.412	21%	0.213	S	C	.	.	H	α-helix	trans	-131.6	-15	-171.5	-55.5	87	0	0	0	115.7	Y80 E107 L108 Y109	Y80-H111 HydrophobicContact CD2-CB 4.02Å; E107-H111 PolarHBondContact O-ND1 3.38Å; L108-H111 PolarHBondContact O-N 3.44Å; Y109-H111 PolarHBondContact O-N 3.04Å
112	A	89.4	Confident	93.5	Very high	16 Å²	16	44.1 Å²	44.1	13%	0.132	21%	0.213	C	C	.	.	S	Bend	trans	-91.5	-177.3	-178.8	0	0	0	0	0	112.7	L108 I116	L108-A112 HydrophobicContact CD1-CB 3.88Å; L108-A112 HydrophobicContact CG-CB 4.19Å; L108-A112 WeakPolarHBondContact O-CB 3.29Å; L108-A112 PolarHBondContact O-N 2.89Å; A112-I116 HydrophobicContact CB-CD1 3.76Å; A112-I116 HydrophobicContact CB-CG2 4.49Å
113	D	86.5	Confident	93.7	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.19	C	C	.	.			trans	-62.8	132.9	171.7	-166.2	-67.2	0	0	0	110.5	A83 H115 I116 N186	A83-D113 WeakPolarHBondContact O-CB 3.49Å; D113-H115 PolarHBondContact O-N 3.04Å; D113-H115 VanDerWaalsContact O-N 3.08Å; D113-H115 WeakPolarHBondContact OD1-CB 3.22Å; D113-H115 IonicContact OD1-CD2 2.67Å; D113-H115 PolarHBondContact OD1-N 3.31Å; D113-I116 VanDerWaalsContact O-CB 3.25Å; D113-I116 WeakPolarHBondContact O-CB 3.36Å; D113-I116 WeakPolarHBondContact O-CG2 3.42Å; D113-I116 PolarHBondContact O-N 3.26Å; D113-N186 PolarHBondContact OD2-N 3.48Å; D113-N186 VanDerWaalsContact OD2-N 3.15Å; D113-N186 PolarHBondContact OD2-ND2 2.98Å
114	P	84.8	Confident	93.9	Very high	113 Å²	113	36.2 Å²	36.2	73%	0.734	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23	179.2	-25	34.2	0	0	0	114.1
115	H	87.5	Confident	94.1	Very high	89 Å²	89	37.4 Å²	37.4	41%	0.412	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	9.8	-178.6	-60	-91.2	0	0	0	113.2	D113 V117 K174 I185	D113-H115 PolarHBondContact O-N 3.04Å; D113-H115 VanDerWaalsContact O-N 3.08Å; D113-H115 WeakPolarHBondContact OD1-CB 3.22Å; D113-H115 IonicContact OD1-CD2 2.67Å; D113-H115 PolarHBondContact OD1-N 3.31Å; H115-V117 PolarHBondContact O-N 3.22Å; H115-K174 PolarHBondContact O-NZ 2.85Å; H115-I185 HydrophobicContact CB-CD1 4.32Å; H115-I185 HydrophobicContact CB-CG1 3.96Å
116	I	94.6	Very high	94.2	Very high	8 Å²	8	39 Å²	39	4%	0.041	20%	0.196	C	C	.	.			trans	-48.9	132.9	-179.3	-172.3	163.2	0	0	0	112	A83 A86 L108 Y109 A112 D113 V118	A83-I116 HydrophobicContact CB-CD1 4.08Å; A86-I116 HydrophobicContact CB-CD1 4Å; L108-I116 HydrophobicContact CD1-CD1 3.86Å; L108-I116 HydrophobicContact CD2-CD1 4.08Å; L108-I116 HydrophobicContact CG-CD1 4.15Å; Y109-I116 HydrophobicContact CD1-CG2 3.9Å; Y109-I116 HydrophobicContact CE1-CG2 3.69Å; A112-I116 HydrophobicContact CB-CD1 3.76Å; A112-I116 HydrophobicContact CB-CG2 4.49Å; D113-I116 VanDerWaalsContact O-CB 3.25Å; D113-I116 WeakPolarHBondContact O-CB 3.36Å; D113-I116 WeakPolarHBondContact O-CG2 3.42Å; D113-I116 PolarHBondContact O-N 3.26Å; I116-V118 HydrophobicContact CG1-CG2 4.24Å; I116-V118 HydrophobicContact CG2-CG2 3.92Å
117	V	97.1	Very high	94.4	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.3	171.3	175.3	0	0	0	0	108.4	V84 G85 A86 H115 L148 V167 E170 I171 K174	V84-V117 PolarHBondContact O-N 3.02Å; G85-V117 CarbonylContact C-O 3.59Å; G85-V117 VanDerWaalsContact CA-O 3.23Å; G85-V117 WeakPolarHBondContact CA-O 3.47Å; A86-V117 PolarHBondContact N-O 3.41Å; H115-V117 PolarHBondContact O-N 3.22Å; V117-L148 HydrophobicContact CG1-CD1 3.84Å; V117-V167 HydrophobicContact CG1-CG1 4.34Å; V117-E170 HydrophobicContact CG1-CB 3.94Å; V117-E170 HydrophobicContact CG1-CG 4.01Å; V117-E170 HydrophobicContact CG2-CB 4.41Å; V117-E170 HydrophobicContact CG2-CG 4.19Å; V117-I171 HydrophobicContact CB-CG1 3.73Å; V117-I171 HydrophobicContact CG1-CG1 4.46Å; V117-I171 HydrophobicContact CG2-CB 4.48Å; V117-I171 HydrophobicContact CG2-CG1 3.66Å; V117-K174 HydrophobicContact CG2-CD 3.77Å
118	V	98.2	Very high	94.7	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133	-178.3	-172.8	0	0	0	0	109.6	A86 L88 L105 L108 Y109 I116 L147 L148	A86-V118 HydrophobicContact CB-CG1 4.39Å; A86-V118 HydrophobicContact CB-CG2 4.4Å; A86-V118 WeakPolarHBondContact O-CA 3.38Å; L88-V118 HydrophobicContact CB-CG1 4.3Å; L105-V118 HydrophobicContact CD1-CG1 4.05Å; L108-V118 HydrophobicContact CD2-CG1 4.26Å; L108-V118 HydrophobicContact CD2-CG2 3.69Å; Y109-V118 HydrophobicContact CE1-CG2 3.96Å; I116-V118 HydrophobicContact CG1-CG2 4.24Å; I116-V118 HydrophobicContact CG2-CG2 3.92Å; V118-L147 HydrophobicContact CB-CD2 3.88Å; V118-L147 HydrophobicContact CG1-CD2 4.08Å; V118-L148 PolarHBondContact O-N 3.09Å
119	M	98.8	Very high	94.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.1	169.1	-179.6	176	-77.5	0	0	110.2	A86 L87 L88 V121 L148 L150 A163 K166 V167	A86-M119 PolarHBondContact O-N 3.28Å; L87-M119 WeakPolarHBondContact CA-O 3.38Å; L88-M119 PolarHBondContact N-O 3.26Å; M119-V121 HydrophobicContact CB-CG2 4.5Å; M119-V121 HydrophobicContact CG-CG2 3.83Å; M119-V121 HydrophobicContact SD-CG2 4.07Å; M119-L148 CarbonylContact C-O 3.55Å; M119-L148 WeakPolarHBondContact CA-O 3.38Å; M119-L148 HydrophobicContact CB-CB 3.88Å; M119-L148 HydrophobicContact CE-CB 3.71Å; M119-L148 HydrophobicContact CE-CD1 3.94Å; M119-L148 HydrophobicContact CE-CG 4.47Å; M119-L148 HydrophobicContact CG-CB 3.94Å; M119-L150 HydrophobicContact SD-CB 3.92Å; M119-A163 HydrophobicContact SD-CB 3.79Å; M119-K166 HydrophobicContact CE-CB 3.71Å; M119-K166 HydrophobicContact CE-CD 4.15Å; M119-V167 HydrophobicContact CB-CG2 3.58Å; M119-V167 HydrophobicContact CE-CG2 4.03Å; M119-V167 HydrophobicContact CG-CG2 4.49Å; M119-V167 HydrophobicContact SD-CG2 4.21Å
120	L	98.8	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.5	163.8	-179.7	63.9	0	0	0	109.3	L88 Y90 V101 A138 F141 A142 L147 L148 F149 L150	L88-L120 HydrophobicContact CG-CD1 4.19Å; L88-L120 CarbonylContact O-C 3.59Å; L88-L120 WeakPolarHBondContact O-CA 3.24Å; Y90-L120 HydrophobicContact CD1-CD1 3.64Å; Y90-L120 HydrophobicContact CD1-CG 4.18Å; Y90-L120 HydrophobicContact CE1-CD1 3.9Å; Y90-L120 HydrophobicContact CE1-CD2 4.23Å; Y90-L120 HydrophobicContact CE1-CG 3.9Å; V101-L120 HydrophobicContact CG1-CD1 3.66Å; V101-L120 HydrophobicContact CG2-CD1 3.99Å; L120-A138 HydrophobicContact CD2-CB 4.29Å; L120-A138 WeakPolarHBondContact CD2-O 3.08Å; L120-F141 HydrophobicContact CD2-CD1 3.85Å; L120-F141 HydrophobicContact CD2-CE1 4.41Å; L120-A142 HydrophobicContact CB-CB 4.34Å; L120-A142 HydrophobicContact CD2-CB 4.22Å; L120-L147 HydrophobicContact CB-CD1 4.32Å; L120-L148 PolarHBondContact N-O 2.92Å; L120-F149 HydrophobicContact CB-CD2 4.18Å; L120-F149 HydrophobicContact CD2-CD2 4.11Å; L120-F149 HydrophobicContact CD2-CE2 4.36Å; L120-F149 HydrophobicContact CG-CD2 4.11Å; L120-F149 HydrophobicContact CG-CE2 4.43Å; L120-F149 WeakPolarHBondContact O-CA 3.33Å; L120-L150 PolarHBondContact O-N 3.21Å; L120-L150 VanDerWaalsContact O-N 3.16Å
121	V	98.8	Very high	95.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.8	-176.4	-177.6	0	0	0	0	110.7	L26 L87 L88 V89 Y90 M119 N123 L150 T152	L26-V121 HydrophobicContact CD1-CG1 4.36Å; L87-V121 HydrophobicContact CB-CG2 4.14Å; L87-V121 HydrophobicContact CD2-CG2 4Å; L87-V121 HydrophobicContact CG-CG2 4.33Å; L88-V121 PolarHBondContact O-N 3.45Å; V89-V121 WeakPolarHBondContact CA-O 3.49Å; V89-V121 HydrophobicContact CG1-CB 4.46Å; V89-V121 HydrophobicContact CG1-CG1 4.45Å; V89-V121 HydrophobicContact CG2-CB 4.23Å; Y90-V121 VanDerWaalsContact CD1-O 3.26Å; Y90-V121 WeakPolarHBondContact CD1-O 3.18Å; Y90-V121 PolarHBondContact N-O 3.16Å; M119-V121 HydrophobicContact CB-CG2 4.5Å; M119-V121 HydrophobicContact CG-CG2 3.83Å; M119-V121 HydrophobicContact SD-CG2 4.07Å; V121-N123 PolarHBondContact O-N 2.99Å; V121-L150 VanDerWaalsContact CA-O 3.3Å; V121-L150 WeakPolarHBondContact CA-O 3.5Å; V121-T152 HydrophobicContact CG1-CG2 3.71Å; V121-T152 VanDerWaalsContact CG1-OG1 3.29Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.31Å
122	G	98.8	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	99.9	169.4	0	0	0	0	0	110.4	L150 E151 T152	G122-L150 PolarHBondContact N-O 2.81Å; G122-E151 CarbonylContact O-C 3.59Å; G122-E151 WeakPolarHBondContact O-CA 3.28Å; G122-E151 WeakPolarHBondContact O-CB 3.37Å; G122-T152 PolarHBondContact O-N 3.49Å
123	N	98.8	Very high	96.3	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	160.5	-176.2	-169.5	39.6	0	0	0	112.3	V21 L26 V89 Y90 I92 V121 T152 A154	V21-N123 PolarHBondContact O-ND2 3.47Å; L26-N123 HydrophobicContact CD1-CB 4.34Å; V89-N123 HydrophobicContact CG1-CB 3.78Å; Y90-N123 PolarHBondContact O-N 2.82Å; I92-N123 PolarHBondContact N-O 2.93Å; V121-N123 PolarHBondContact O-N 2.99Å; N123-T152 CarbonylContact C-O 3.53Å; N123-T152 VanDerWaalsContact CA-O 3.29Å; N123-T152 WeakPolarHBondContact CA-O 3.17Å; N123-T152 PolarHBondContact OD1-O 2.96Å; N123-T152 PolarHBondContact OD1-OG1 3.31Å; N123-A154 PolarHBondContact OD1-N 2.83Å
124	K	98.4	Very high	96.9	Very high	44 Å²	44	43.1 Å²	43.1	19%	0.191	24%	0.239	C	C	.	.			trans	77.1	37.6	179.8	-44.5	-170.6	-165.4	172.5	0	114.6	G20 D91 I92 D126 L127 T152	G20-K124 WeakPolarHBondContact O-CE 3.38Å; G20-K124 PolarHBondContact O-NZ 3.22Å; D91-K124 VanDerWaalsContact OD2-CE 3.24Å; D91-K124 WeakPolarHBondContact OD2-CE 3.41Å; D91-K124 IonicContact OD2-NZ 2.95Å; D91-K124 PolarHBondContact OD2-NZ 3.09Å; I92-K124 WeakPolarHBondContact CD1-O 3.26Å; K124-D126 WeakPolarHBondContact CA-OD1 3.25Å; K124-D126 PolarHBondContact O-N 3.33Å; K124-D126 VanDerWaalsContact O-N 3.09Å; K124-L127 HydrophobicContact CB-CD1 4.33Å; K124-L127 HydrophobicContact CD-CD1 4.35Å; K124-L127 PolarHBondContact O-N 3.37Å; K124-T152 PolarHBondContact N-O 2.71Å
125	T	98.6	Very high	97.5	Very high	26 Å²	26	39.8 Å²	39.8	16%	0.16	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-60.5	-15.2	173	59.1	0	0	0	0	114.2	I92 L127 E128 E151 T152 S153	I92-T125 HydrophobicContact CD1-CG2 4.35Å; T125-L127 PolarHBondContact O-N 2.94Å; T125-E128 PolarHBondContact O-N 2.98Å; T125-E151 HydrophobicContact CG2-CB 3.47Å; T125-E151 VanDerWaalsContact CG2-CB 3.47Å; T125-E151 HydrophobicContact CG2-CG 4.44Å; T125-T152 PolarHBondContact N-O 3.47Å; T125-T152 VanDerWaalsContact N-O 3.16Å; T125-T152 PolarHBondContact OG1-O 2.92Å; T125-S153 WeakPolarHBondContact OG1-CB 3.43Å
126	D	98.3	Very high	98	Very high	42 Å²	42	40.9 Å²	40.9	23%	0.225	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-63.2	-19.7	169.3	51.3	-76.3	0	0	0	113.4	K124 S153 L155 Q156	K124-D126 WeakPolarHBondContact CA-OD1 3.25Å; K124-D126 PolarHBondContact O-N 3.33Å; K124-D126 VanDerWaalsContact O-N 3.09Å; D126-S153 WeakPolarHBondContact CB-OG 3.47Å; D126-S153 VanDerWaalsContact CG-OG 3.27Å; D126-S153 VanDerWaalsContact OD1-CB 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.46Å; D126-S153 PolarHBondContact OD1-OG 2.82Å; D126-L155 HydrophobicContact CB-CD2 4.35Å; D126-L155 WeakPolarHBondContact OD2-CD2 3.25Å; D126-Q156 HydrophobicContact CB-CG 3.95Å
127	L	97.4	Very high	98.2	Very high	56 Å²	56	44 Å²	44	29%	0.293	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-103.6	40.7	178.3	-57.6	178.1	0	0	0	112.1	T93 K124 T125 S129 E130	T93-L127 HydrophobicContact CG2-CB 3.58Å; T93-L127 HydrophobicContact CG2-CD1 4.03Å; T93-L127 HydrophobicContact CG2-CG 4.47Å; K124-L127 HydrophobicContact CB-CD1 4.33Å; K124-L127 HydrophobicContact CD-CD1 4.35Å; K124-L127 PolarHBondContact O-N 3.37Å; T125-L127 PolarHBondContact O-N 2.94Å; L127-S129 PolarHBondContact O-N 3.1Å; L127-S129 VanDerWaalsContact O-N 3.14Å; L127-E130 HydrophobicContact CB-CB 4.5Å; L127-E130 PolarHBondContact O-N 3.31Å
128	E	97.6	Very high	98.2	Very high	100 Å²	100	43.7 Å²	43.7	47%	0.467	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-54.1	-35.6	-175.7	-173.1	59.7	-151.9	0	0	113.5	T125 E130 R131	T125-E128 PolarHBondContact O-N 2.98Å; E128-E130 PolarHBondContact O-N 3.21Å; E128-R131 VanDerWaalsContact CD-NE 3.29Å; E128-R131 VanDerWaalsContact O-CB 3.25Å; E128-R131 WeakPolarHBondContact O-CB 3.39Å; E128-R131 PolarHBondContact O-N 3.21Å; E128-R131 VanDerWaalsContact O-N 3.14Å; E128-R131 IonicContact OE1-CZ 3.86Å; E128-R131 IonicContact OE1-NE 2.75Å; E128-R131 PolarHBondContact OE1-NE 2.88Å; E128-R131 IonicContact OE1-NH2 2.64Å; E128-R131 IonicContact OE2-CZ 3.6Å; E128-R131 IonicContact OE2-NE 2.78Å; E128-R131 PolarHBondContact OE2-NE 2.75Å; E128-R131 VanDerWaalsContact OE2-NE 3.15Å; E128-R131 IonicContact OE2-NH2 3.57Å; E128-R131 PolarHBondContact OE2-NH2 2.94Å
129	S	97.9	Very high	98.2	Very high	120 Å²	120	47 Å²	47	84%	0.839	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-65	-18.9	177.5	53.7	0	0	0	0	114.1	L127	L127-S129 PolarHBondContact O-N 3.1Å; L127-S129 VanDerWaalsContact O-N 3.14Å
130	E	97.9	Very high	98.2	Very high	117 Å²	117	50.2 Å²	50.2	55%	0.547	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-104.1	9.4	179.4	-62.5	-179.9	-119.3	0	0	112.1	T93 L127 E128 S132	T93-E130 WeakPolarHBondContact CA-O 3.2Å; T93-E130 WeakPolarHBondContact CB-O 3.49Å; T93-E130 HydrophobicContact CG2-CB 3.79Å; L127-E130 HydrophobicContact CB-CB 4.5Å; L127-E130 PolarHBondContact O-N 3.31Å; E128-E130 PolarHBondContact O-N 3.21Å; E130-S132 PolarHBondContact O-N 3.32Å
131	R	98.5	Very high	98.2	Very high	56 Å²	56	51.8 Å²	51.8	21%	0.211	27%	0.272	C	S	.	.			trans	-56.8	124.4	-178.7	180	-179.8	-70.1	-87.9	6.7	111.1	E128 V133 T135 E151	E128-R131 VanDerWaalsContact CD-NE 3.29Å; E128-R131 VanDerWaalsContact O-CB 3.25Å; E128-R131 WeakPolarHBondContact O-CB 3.39Å; E128-R131 PolarHBondContact O-N 3.21Å; E128-R131 VanDerWaalsContact O-N 3.14Å; E128-R131 IonicContact OE1-CZ 3.86Å; E128-R131 IonicContact OE1-NE 2.75Å; E128-R131 PolarHBondContact OE1-NE 2.88Å; E128-R131 IonicContact OE1-NH2 2.64Å; E128-R131 IonicContact OE2-CZ 3.6Å; E128-R131 IonicContact OE2-NE 2.78Å; E128-R131 PolarHBondContact OE2-NE 2.75Å; E128-R131 VanDerWaalsContact OE2-NE 3.15Å; E128-R131 IonicContact OE2-NH2 3.57Å; E128-R131 PolarHBondContact OE2-NH2 2.94Å; R131-V133 WeakPolarHBondContact CD-O 3.36Å; R131-V133 WeakPolarHBondContact CG-O 3.44Å; R131-V133 PolarHBondContact NH1-O 3.38Å; R131-T135 PolarHBondContact NH1-OG1 3.5Å; R131-T135 VanDerWaalsContact NH1-OG1 3.1Å; R131-E151 IonicContact CZ-OE1 3.64Å; R131-E151 IonicContact CZ-OE2 3.34Å; R131-E151 IonicContact NH1-OE1 3.63Å; R131-E151 PolarHBondContact NH1-OE1 2.87Å; R131-E151 IonicContact NH1-OE2 3.53Å; R131-E151 IonicContact NH2-OE1 3.83Å; R131-E151 PolarHBondContact NH2-OE1 2.94Å; R131-E151 IonicContact NH2-OE2 2.74Å; R131-E151 PolarHBondContact NH2-OE2 2.93Å
132	S	98.1	Very high	98.2	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	27%	0.272	S	S	.	.			trans	-116.1	-7.8	171.2	63.7	0	0	0	0	113.4	I92 T93 K94 H95 E130	I92-S132 PolarHBondContact O-N 3.31Å; T93-S132 PolarHBondContact O-OG 3.42Å; K94-S132 WeakPolarHBondContact CA-OG 3.23Å; K94-S132 PolarHBondContact N-OG 3.15Å; H95-S132 PolarHBondContact N-OG 2.81Å; H95-S132 PolarHBondContact ND1-O 2.54Å; E130-S132 PolarHBondContact O-N 3.32Å
133	V	98.1	Very high	98.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-113.5	109.3	173.3	-172.9	0	0	0	0	109	Y90 I92 H95 Y98 R131 A138	Y90-V133 HydrophobicContact CD2-CG1 4.46Å; Y90-V133 HydrophobicContact CD2-CG2 4.24Å; Y90-V133 HydrophobicContact CE2-CB 3.86Å; Y90-V133 HydrophobicContact CE2-CG1 3.67Å; Y90-V133 HydrophobicContact CE2-CG2 4.07Å; I92-V133 PolarHBondContact O-N 2.81Å; H95-V133 HydrophobicContact CB-CG2 4.41Å; Y98-V133 HydrophobicContact CD1-CG1 4.22Å; Y98-V133 HydrophobicContact CD2-CG1 3.95Å; Y98-V133 HydrophobicContact CE2-CG1 4.38Å; Y98-V133 HydrophobicContact CG-CG1 3.86Å; Y98-V133 HydrophobicContact CG-CG2 4.25Å; R131-V133 WeakPolarHBondContact CD-O 3.36Å; R131-V133 WeakPolarHBondContact CG-O 3.44Å; R131-V133 PolarHBondContact NH1-O 3.38Å; V133-A138 HydrophobicContact CG1-CB 4.36Å
134	P	98.2	Very high	98.1	Very high	67 Å²	67	65.6 Å²	65.6	44%	0.435	33%	0.334	S	S	.	.			trans	-57.8	136.3	172.4	-22.9	33.2	0	0	0	111.7	E136 E137 A138	P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.19Å; P134-E137 HydrophobicContact CB-CB 4.17Å; P134-E137 WeakPolarHBondContact CD-OE2 3.19Å; P134-E137 WeakPolarHBondContact O-CB 3.27Å; P134-E137 PolarHBondContact O-N 3.21Å; P134-A138 PolarHBondContact O-N 3.38Å
135	T	98.2	Very high	98	Very high	43 Å²	43	67.8 Å²	67.8	26%	0.264	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-42.3	179.7	-56.7	0	0	0	0	112.3	R131 E137 A138 K139 F149 E151	R131-T135 PolarHBondContact NH1-OG1 3.5Å; R131-T135 VanDerWaalsContact NH1-OG1 3.1Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 2.87Å; T135-A138 PolarHBondContact O-N 3.17Å; T135-K139 VanDerWaalsContact O-CB 3.29Å; T135-K139 WeakPolarHBondContact O-CB 3.45Å; T135-K139 PolarHBondContact O-N 2.99Å; T135-F149 HydrophobicContact CG2-CE1 3.95Å; T135-F149 HydrophobicContact CG2-CZ 4.18Å; T135-E151 WeakPolarHBondContact CB-OE1 3.33Å; T135-E151 HydrophobicContact CG2-CG 4.38Å; T135-E151 WeakPolarHBondContact CG2-OE1 3.26Å; T135-E151 PolarHBondContact OG1-OE1 2.92Å; T135-E151 PolarHBondContact OG1-OE2 3.05Å
136	E	98.1	Very high	97.9	Very high	111 Å²	111	69.8 Å²	69.8	52%	0.519	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-35	-179.8	-62.8	-54.2	129.4	0	0	112.2	P134 K139 D140	P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.19Å; E136-K139 PolarHBondContact O-N 2.94Å; E136-K139 IonicContact OE2-NZ 3.44Å; E136-D140 VanDerWaalsContact O-CB 3.29Å; E136-D140 WeakPolarHBondContact O-CB 3.44Å; E136-D140 VanDerWaalsContact O-CG 3.28Å; E136-D140 PolarHBondContact O-N 2.94Å
137	E	97.4	Very high	97.9	Very high	73 Å²	73	68.5 Å²	68.5	34%	0.341	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-47.4	176.6	-177.4	-174.3	155.6	0	0	111.5	H95 Y98 P134 T135 F141	H95-E137 IonicContact CE1-OE1 3.07Å; H95-E137 PolarHBondContact CE1-OE1 3.4Å; Y98-E137 HydrophobicContact CE1-CG 4.22Å; Y98-E137 WeakPolarHBondContact CE1-OE1 3.43Å; Y98-E137 PolarHBondContact OH-O 3.36Å; P134-E137 HydrophobicContact CB-CB 4.17Å; P134-E137 WeakPolarHBondContact CD-OE2 3.19Å; P134-E137 WeakPolarHBondContact O-CB 3.27Å; P134-E137 PolarHBondContact O-N 3.21Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 2.87Å; E137-F141 PolarHBondContact O-N 2.85Å; E137-F141 VanDerWaalsContact O-N 3.09Å
138	A	98.1	Very high	98	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-68.3	-37.2	178.6	0	0	0	0	0	112.4	Y90 Y98 L120 V133 P134 T135 F141 A142 F149	Y90-A138 HydrophobicContact CE1-CB 4.14Å; Y90-A138 WeakPolarHBondContact OH-CB 3.49Å; Y98-A138 HydrophobicContact CD2-CB 4.45Å; Y98-A138 HydrophobicContact CE2-CB 3.82Å; L120-A138 HydrophobicContact CD2-CB 4.29Å; L120-A138 WeakPolarHBondContact CD2-O 3.08Å; V133-A138 HydrophobicContact CG1-CB 4.36Å; P134-A138 PolarHBondContact O-N 3.38Å; T135-A138 PolarHBondContact O-N 3.17Å; A138-F141 PolarHBondContact O-N 3.48Å; A138-A142 PolarHBondContact O-N 3.24Å; A138-F149 HydrophobicContact CB-CE2 3.69Å; A138-F149 HydrophobicContact CB-CZ 3.95Å
139	K	98.3	Very high	98	Very high	76 Å²	76	65.7 Å²	65.7	33%	0.33	35%	0.349	S	S	.	.	H	α-helix	trans	-65.8	-47.9	176.4	-175.1	-176.9	167.4	-159.1	0	111.7	T135 E136 F141 A142 E143 F149	T135-K139 VanDerWaalsContact O-CB 3.29Å; T135-K139 WeakPolarHBondContact O-CB 3.45Å; T135-K139 PolarHBondContact O-N 2.99Å; E136-K139 PolarHBondContact O-N 2.94Å; E136-K139 IonicContact OE2-NZ 3.44Å; K139-F141 VanDerWaalsContact C-N 3.27Å; K139-F141 PolarHBondContact O-N 3.23Å; K139-A142 WeakPolarHBondContact O-CB 3.39Å; K139-A142 PolarHBondContact O-N 2.94Å; K139-A142 VanDerWaalsContact O-N 3.1Å; K139-E143 WeakPolarHBondContact CE-OE1 3.28Å; K139-E143 WeakPolarHBondContact O-CG 3.31Å; K139-E143 PolarHBondContact O-N 3.25Å; K139-F149 HydrophobicContact CB-CD1 3.85Å; K139-F149 HydrophobicContact CB-CE1 3.84Å; K139-F149 HydrophobicContact CB-CG 4.49Å; K139-F149 HydrophobicContact CB-CZ 4.47Å; K139-F149 HydrophobicContact CG-CD1 3.98Å; K139-F149 HydrophobicContact CG-CE1 4.37Å
140	D	98.4	Very high	98.1	Very high	70 Å²	70	60.7 Å²	60.7	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-58.1	-41	175.8	-81.3	-2.2	0	0	0	111.6	E136 K144	E136-D140 VanDerWaalsContact O-CB 3.29Å; E136-D140 WeakPolarHBondContact O-CB 3.44Å; E136-D140 VanDerWaalsContact O-CG 3.28Å; E136-D140 PolarHBondContact O-N 2.94Å; D140-K144 WeakPolarHBondContact O-CB 3.36Å; D140-K144 WeakPolarHBondContact O-CD 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.4Å; D140-K144 PolarHBondContact O-N 3.41Å
141	F	98.2	Very high	98.1	Very high	32 Å²	32	56.6 Å²	56.6	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-47	174.7	173.5	-86.8	0	0	0	111.7	Y98 V101 E102 L105 L120 E137 A138 K139 E143 K144 K145 L147	Y98-F141 VanDerWaalsContact OH-CB 3.29Å; Y98-F141 WeakPolarHBondContact OH-CB 2.98Å; V101-F141 HydrophobicContact CG1-CD1 4.46Å; V101-F141 HydrophobicContact CG1-CE1 3.61Å; V101-F141 HydrophobicContact CG1-CZ 3.94Å; E102-F141 HydrophobicContact CB-CZ 4.44Å; L105-F141 HydrophobicContact CD2-CZ 4.36Å; L120-F141 HydrophobicContact CD2-CD1 3.85Å; L120-F141 HydrophobicContact CD2-CE1 4.41Å; E137-F141 PolarHBondContact O-N 2.85Å; E137-F141 VanDerWaalsContact O-N 3.09Å; A138-F141 PolarHBondContact O-N 3.48Å; K139-F141 VanDerWaalsContact C-N 3.27Å; K139-F141 PolarHBondContact O-N 3.23Å; F141-E143 PolarHBondContact O-N 2.99Å; F141-K144 PolarHBondContact O-N 3.4Å; F141-K145 HydrophobicContact CD1-CG 4.36Å; F141-K145 HydrophobicContact CD2-CG 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.99Å; F141-K145 HydrophobicContact CE2-CG 3.97Å; F141-K145 HydrophobicContact CZ-CD 4.47Å; F141-K145 HydrophobicContact CZ-CG 3.78Å; F141-K145 WeakPolarHBondContact O-CB 3.37Å; F141-K145 WeakPolarHBondContact O-CG 3.47Å; F141-K145 PolarHBondContact O-N 3.45Å; F141-L147 HydrophobicContact CD1-CD1 4.43Å; F141-L147 HydrophobicContact CE1-CD1 3.93Å
142	A	98.4	Very high	98.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-45.5	178.8	0	0	0	0	0	111.3	L120 A138 K139 K145 G146 L147 F149	L120-A142 HydrophobicContact CB-CB 4.34Å; L120-A142 HydrophobicContact CD2-CB 4.22Å; A138-A142 PolarHBondContact O-N 3.24Å; K139-A142 WeakPolarHBondContact O-CB 3.39Å; K139-A142 PolarHBondContact O-N 2.94Å; K139-A142 VanDerWaalsContact O-N 3.1Å; A142-K145 CarbonylContact O-C 3.41Å; A142-K145 PolarHBondContact O-N 3.42Å; A142-G146 PolarHBondContact O-N 3.02Å; A142-L147 HydrophobicContact CB-CB 4.11Å; A142-L147 PolarHBondContact O-N 3.17Å; A142-F149 HydrophobicContact CB-CB 3.76Å; A142-F149 HydrophobicContact CB-CD2 4.37Å; A142-F149 HydrophobicContact CB-CG 4.32Å
143	E	98	Very high	98.1	Very high	125 Å²	125	51.5 Å²	51.5	58%	0.584	27%	0.267	S	S	*	.	H	α-helix	trans	-60.3	-47.9	176.6	-71.4	-179.2	-171	0	0	111.7	K139 F141 K145 G146	K139-E143 WeakPolarHBondContact CE-OE1 3.28Å; K139-E143 WeakPolarHBondContact O-CG 3.31Å; K139-E143 PolarHBondContact O-N 3.25Å; F141-E143 PolarHBondContact O-N 2.99Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 3.16Å; E143-G146 PolarHBondContact O-N 3.2Å; E143-G146 VanDerWaalsContact O-N 3.12Å
144	K	97.9	Very high	98.1	Very high	169 Å²	169	51.6 Å²	51.6	74%	0.735	27%	0.267	S	S	*	.	H	α-helix	trans	-60.5	-33.6	177.8	-74.2	168.4	-170.9	165.8	0	113.3	D140 F141	D140-K144 WeakPolarHBondContact O-CB 3.36Å; D140-K144 WeakPolarHBondContact O-CD 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.4Å; D140-K144 PolarHBondContact O-N 3.41Å; F141-K144 PolarHBondContact O-N 3.4Å
145	K	96.9	Very high	98.1	Very high	89 Å²	89	51.4 Å²	51.4	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-92.3	-2.2	179.9	-64.5	-67.6	-171.3	174.7	0	113	E102 L105 F141 A142 E143 L147	E102-K145 IonicContact OE1-NZ 3.15Å; E102-K145 PolarHBondContact OE1-NZ 3.09Å; L105-K145 HydrophobicContact CD2-CB 4.36Å; L105-K145 HydrophobicContact CD2-CD 4.39Å; L105-K145 HydrophobicContact CD2-CG 4.3Å; F141-K145 HydrophobicContact CD1-CG 4.36Å; F141-K145 HydrophobicContact CD2-CG 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.99Å; F141-K145 HydrophobicContact CE2-CG 3.97Å; F141-K145 HydrophobicContact CZ-CD 4.47Å; F141-K145 HydrophobicContact CZ-CG 3.78Å; F141-K145 WeakPolarHBondContact O-CB 3.37Å; F141-K145 WeakPolarHBondContact O-CG 3.47Å; F141-K145 PolarHBondContact O-N 3.45Å; A142-K145 CarbonylContact O-C 3.41Å; A142-K145 PolarHBondContact O-N 3.42Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 3.16Å; K145-L147 HydrophobicContact CB-CD1 3.93Å; K145-L147 HydrophobicContact CB-CD2 4.21Å; K145-L147 HydrophobicContact CB-CG 3.71Å
146	G	96.8	Very high	98	Very high	69 Å²	69	55.1 Å²	55.1	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	31.2	-177.8	0	0	0	0	0	113.9	A142 E143	A142-G146 PolarHBondContact O-N 3.02Å; E143-G146 PolarHBondContact O-N 3.2Å; E143-G146 VanDerWaalsContact O-N 3.12Å
147	L	98.3	Very high	97.9	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.079	27%	0.268	C	S	.	.			trans	-95.6	151.9	179.3	-43.5	176.2	0	0	0	110.3	L105 Y109 V118 L120 F141 A142 K145	L105-L147 HydrophobicContact CD1-CD1 4.44Å; L105-L147 HydrophobicContact CD1-CD2 3.98Å; L105-L147 HydrophobicContact CD2-CD1 4.05Å; L105-L147 HydrophobicContact CD2-CD2 4.32Å; Y109-L147 WeakPolarHBondContact OH-CD2 3.46Å; V118-L147 HydrophobicContact CB-CD2 3.88Å; V118-L147 HydrophobicContact CG1-CD2 4.08Å; L120-L147 HydrophobicContact CB-CD1 4.32Å; F141-L147 HydrophobicContact CD1-CD1 4.43Å; F141-L147 HydrophobicContact CE1-CD1 3.93Å; A142-L147 HydrophobicContact CB-CB 4.11Å; A142-L147 PolarHBondContact O-N 3.17Å; K145-L147 HydrophobicContact CB-CD1 3.93Å; K145-L147 HydrophobicContact CB-CD2 4.21Å; K145-L147 HydrophobicContact CB-CG 3.71Å
148	L	98.6	Very high	98	Very high	53 Å²	53	51.2 Å²	51.2	28%	0.277	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	154.6	161.9	-56.9	174.8	0	0	0	109.3	V117 V118 M119 L120 V167 E170	V117-L148 HydrophobicContact CG1-CD1 3.84Å; V118-L148 PolarHBondContact O-N 3.09Å; M119-L148 CarbonylContact C-O 3.55Å; M119-L148 WeakPolarHBondContact CA-O 3.38Å; M119-L148 HydrophobicContact CB-CB 3.88Å; M119-L148 HydrophobicContact CE-CB 3.71Å; M119-L148 HydrophobicContact CE-CD1 3.94Å; M119-L148 HydrophobicContact CE-CG 4.47Å; M119-L148 HydrophobicContact CG-CB 3.94Å; L120-L148 PolarHBondContact N-O 2.92Å; L148-V167 HydrophobicContact CD1-CG2 4.34Å; L148-E170 HydrophobicContact CD1-CB 4.22Å; L148-E170 HydrophobicContact CD1-CG 4.41Å
149	F	98.8	Very high	98	Very high	43 Å²	43	54.9 Å²	54.9	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.2	176.9	179.6	-111.3	0	0	0	112	Y90 L120 T135 A138 K139 A142 E151	Y90-F149 HydrophobicContact CE1-CE2 4.46Å; L120-F149 HydrophobicContact CB-CD2 4.18Å; L120-F149 HydrophobicContact CD2-CD2 4.11Å; L120-F149 HydrophobicContact CD2-CE2 4.36Å; L120-F149 HydrophobicContact CG-CD2 4.11Å; L120-F149 HydrophobicContact CG-CE2 4.43Å; L120-F149 WeakPolarHBondContact O-CA 3.33Å; T135-F149 HydrophobicContact CG2-CE1 3.95Å; T135-F149 HydrophobicContact CG2-CZ 4.18Å; A138-F149 HydrophobicContact CB-CE2 3.69Å; A138-F149 HydrophobicContact CB-CZ 3.95Å; K139-F149 HydrophobicContact CB-CD1 3.85Å; K139-F149 HydrophobicContact CB-CE1 3.84Å; K139-F149 HydrophobicContact CB-CG 4.49Å; K139-F149 HydrophobicContact CB-CZ 4.47Å; K139-F149 HydrophobicContact CG-CD1 3.98Å; K139-F149 HydrophobicContact CG-CE1 4.37Å; A142-F149 HydrophobicContact CB-CB 3.76Å; A142-F149 HydrophobicContact CB-CD2 4.37Å; A142-F149 HydrophobicContact CB-CG 4.32Å; F149-E151 HydrophobicContact CE1-CG 4.17Å; F149-E151 HydrophobicContact CE2-CG 4.46Å; F149-E151 HydrophobicContact CZ-CG 3.67Å
150	L	98.6	Very high	98	Very high	16 Å²	16	51.3 Å²	51.3	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	146	171.3	-150.2	84.8	0	0	0	109.9	M119 L120 V121 G122 T152 N159 A162 A163 K166	M119-L150 HydrophobicContact SD-CB 3.92Å; L120-L150 PolarHBondContact O-N 3.21Å; L120-L150 VanDerWaalsContact O-N 3.16Å; V121-L150 VanDerWaalsContact CA-O 3.3Å; V121-L150 WeakPolarHBondContact CA-O 3.5Å; G122-L150 PolarHBondContact N-O 2.81Å; L150-T152 HydrophobicContact CD2-CG2 4.1Å; L150-N159 HydrophobicContact CD2-CB 3.58Å; L150-N159 VanDerWaalsContact CD2-O 3.29Å; L150-N159 WeakPolarHBondContact CD2-O 3.35Å; L150-N159 HydrophobicContact CG-CB 4.22Å; L150-A162 HydrophobicContact CD2-CB 4.19Å; L150-A163 HydrophobicContact CD2-CB 3.71Å; L150-K166 HydrophobicContact CD1-CD 4.34Å
151	E	98.8	Very high	98	Very high	30 Å²	30	51.5 Å²	51.5	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.9	164.8	-60.4	-167.4	154	0	0	110.7	G122 T125 R131 T135 F149 N159	G122-E151 CarbonylContact O-C 3.59Å; G122-E151 WeakPolarHBondContact O-CA 3.28Å; G122-E151 WeakPolarHBondContact O-CB 3.37Å; T125-E151 HydrophobicContact CG2-CB 3.47Å; T125-E151 VanDerWaalsContact CG2-CB 3.47Å; T125-E151 HydrophobicContact CG2-CG 4.44Å; R131-E151 IonicContact CZ-OE1 3.64Å; R131-E151 IonicContact CZ-OE2 3.34Å; R131-E151 IonicContact NH1-OE1 3.63Å; R131-E151 PolarHBondContact NH1-OE1 2.87Å; R131-E151 IonicContact NH1-OE2 3.53Å; R131-E151 IonicContact NH2-OE1 3.83Å; R131-E151 PolarHBondContact NH2-OE1 2.94Å; R131-E151 IonicContact NH2-OE2 2.74Å; R131-E151 PolarHBondContact NH2-OE2 2.93Å; T135-E151 WeakPolarHBondContact CB-OE1 3.33Å; T135-E151 HydrophobicContact CG2-CG 4.38Å; T135-E151 WeakPolarHBondContact CG2-OE1 3.26Å; T135-E151 PolarHBondContact OG1-OE1 2.92Å; T135-E151 PolarHBondContact OG1-OE2 3.05Å; F149-E151 HydrophobicContact CE1-CG 4.17Å; F149-E151 HydrophobicContact CE2-CG 4.46Å; F149-E151 HydrophobicContact CZ-CG 3.67Å; E151-N159 WeakPolarHBondContact O-CB 3.33Å; E151-N159 PolarHBondContact O-ND2 3.39Å
152	T	98.8	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.5	-172.4	63	0	0	0	0	112.5	V121 G122 N123 K124 T125 L150 T158 N159 A163	V121-T152 HydrophobicContact CG1-CG2 3.71Å; V121-T152 VanDerWaalsContact CG1-OG1 3.29Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.31Å; G122-T152 PolarHBondContact O-N 3.49Å; N123-T152 CarbonylContact C-O 3.53Å; N123-T152 VanDerWaalsContact CA-O 3.29Å; N123-T152 WeakPolarHBondContact CA-O 3.17Å; N123-T152 PolarHBondContact OD1-O 2.96Å; N123-T152 PolarHBondContact OD1-OG1 3.31Å; K124-T152 PolarHBondContact N-O 2.71Å; T125-T152 PolarHBondContact N-O 3.47Å; T125-T152 VanDerWaalsContact N-O 3.16Å; T125-T152 PolarHBondContact OG1-O 2.92Å; L150-T152 HydrophobicContact CD2-CG2 4.1Å; T152-T158 WeakPolarHBondContact CA-O 3.48Å; T152-N159 HydrophobicContact CG2-CB 3.98Å; T152-A163 HydrophobicContact CG2-CB 4.17Å
153	S	98.5	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-125.1	111.5	160.8	172.3	0	0	0	0	109.2	T125 D126 L155 Q156 S157 T158	T125-S153 WeakPolarHBondContact OG1-CB 3.43Å; D126-S153 WeakPolarHBondContact CB-OG 3.47Å; D126-S153 VanDerWaalsContact CG-OG 3.27Å; D126-S153 VanDerWaalsContact OD1-CB 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.46Å; D126-S153 PolarHBondContact OD1-OG 2.82Å; S153-L155 PolarHBondContact O-N 2.83Å; S153-L155 PolarHBondContact OG-N 2.84Å; S153-Q156 PolarHBondContact OG-N 3.44Å; S153-S157 CarbonylContact O-C 3.44Å; S153-S157 VanDerWaalsContact O-CA 3.23Å; S153-S157 WeakPolarHBondContact O-CA 3.42Å; S153-S157 PolarHBondContact O-N 2.86Å; S153-T158 PolarHBondContact N-O 3.22Å; S153-T158 PolarHBondContact O-N 3.48Å; S153-T158 VanDerWaalsContact O-N 3.1Å
154	A	97.6	Very high	98	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32	169.8	0	0	0	0	0	111.9	N25 L26 R29 F35 N123	N25-A154 HydrophobicContact CB-CB 3.93Å; L26-A154 HydrophobicContact CD2-CB 3.9Å; L26-A154 HydrophobicContact CG-CB 4.12Å; R29-A154 PolarHBondContact NE-O 2.81Å; R29-A154 PolarHBondContact NH2-O 2.91Å; F35-A154 HydrophobicContact CD2-CB 4.04Å; F35-A154 WeakPolarHBondContact CD2-O 3.4Å; F35-A154 HydrophobicContact CE2-CB 4.02Å; N123-A154 PolarHBondContact OD1-N 2.83Å
155	L	96.9	Very high	98	Very high	63 Å²	63	39.3 Å²	39.3	33%	0.33	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-51.7	178.8	178	62.3	0	0	0	111	R29 F35 D126 S153 S157	R29-L155 PolarHBondContact NH2-O 3.2Å; F35-L155 HydrophobicContact CD1-CD1 3.74Å; F35-L155 HydrophobicContact CD2-CB 4.4Å; F35-L155 HydrophobicContact CE1-CD1 3.61Å; F35-L155 HydrophobicContact CE2-CB 3.99Å; F35-L155 HydrophobicContact CE2-CD1 4.46Å; F35-L155 HydrophobicContact CG-CD1 4.25Å; F35-L155 HydrophobicContact CZ-CB 4.08Å; F35-L155 HydrophobicContact CZ-CD1 3.99Å; D126-L155 HydrophobicContact CB-CD2 4.35Å; D126-L155 WeakPolarHBondContact OD2-CD2 3.25Å; S153-L155 PolarHBondContact O-N 2.83Å; S153-L155 PolarHBondContact OG-N 2.84Å; L155-S157 VanDerWaalsContact C-N 3.35Å
156	Q	96.8	Very high	98	Very high	121 Å²	121	39.8 Å²	39.8	57%	0.565	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.8	-177.7	-64.1	177.1	-16.6	0	0	113.6	D126 S153 T158	D126-Q156 HydrophobicContact CB-CG 3.95Å; S153-Q156 PolarHBondContact OG-N 3.44Å; Q156-T158 PolarHBondContact O-N 3.19Å
157	S	96.9	Very high	98.1	Very high	48 Å²	48	36.6 Å²	36.6	34%	0.336	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	10.6	-170.4	-152.8	0	0	0	0	114.3	R29 S153 L155 N159	R29-S157 WeakPolarHBondContact CD-OG 3.42Å; R29-S157 WeakPolarHBondContact CG-OG 3.47Å; S153-S157 CarbonylContact O-C 3.44Å; S153-S157 VanDerWaalsContact O-CA 3.23Å; S153-S157 WeakPolarHBondContact O-CA 3.42Å; S153-S157 PolarHBondContact O-N 2.86Å; L155-S157 VanDerWaalsContact C-N 3.35Å; S157-N159 PolarHBondContact O-N 2.85Å
158	T	98.3	Very high	98	Very high	54 Å²	54	36 Å²	36	33%	0.331	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-61.1	123.8	178.7	-54.3	0	0	0	0	109.7	T152 S153 Q156 V160	T152-T158 WeakPolarHBondContact CA-O 3.48Å; S153-T158 PolarHBondContact N-O 3.22Å; S153-T158 PolarHBondContact O-N 3.48Å; S153-T158 VanDerWaalsContact O-N 3.1Å; Q156-T158 PolarHBondContact O-N 3.19Å; T158-V160 PolarHBondContact O-N 2.89Å
159	N	98.3	Very high	97.9	Very high	76 Å²	76	36.1 Å²	36.1	41%	0.406	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	4.6	173.1	-77	-17.4	0	0	0	116.4	L150 E151 T152 S157 A162 A163	L150-N159 HydrophobicContact CD2-CB 3.58Å; L150-N159 VanDerWaalsContact CD2-O 3.29Å; L150-N159 WeakPolarHBondContact CD2-O 3.35Å; L150-N159 HydrophobicContact CG-CB 4.22Å; E151-N159 WeakPolarHBondContact O-CB 3.33Å; E151-N159 PolarHBondContact O-ND2 3.39Å; T152-N159 HydrophobicContact CG2-CB 3.98Å; S157-N159 PolarHBondContact O-N 2.85Å; N159-A162 PolarHBondContact O-N 2.76Å; N159-A163 PolarHBondContact O-N 2.83Å
160	V	98.3	Very high	97.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-53.8	-179	179.6	0	0	0	0	110.8	L26 R29 F30 T158 A162 A163 F164	L26-V160 HydrophobicContact CD2-CG1 4.24Å; L26-V160 HydrophobicContact CD2-CG2 3.77Å; R29-V160 HydrophobicContact CB-CG1 4.13Å; R29-V160 HydrophobicContact CG-CB 4.26Å; R29-V160 HydrophobicContact CG-CG1 4.04Å; R29-V160 HydrophobicContact CG-CG2 4.08Å; F30-V160 HydrophobicContact CB-CG1 4.09Å; T158-V160 PolarHBondContact O-N 2.89Å; V160-A162 VanDerWaalsContact C-N 3.27Å; V160-A162 PolarHBondContact O-N 2.77Å; V160-A163 PolarHBondContact O-N 2.55Å; V160-F164 HydrophobicContact CG1-CD2 4.31Å; V160-F164 HydrophobicContact CG1-CE2 4.2Å; V160-F164 WeakPolarHBondContact O-CD2 3.38Å; V160-F164 PolarHBondContact O-N 3.4Å
161	E	97.8	Very high	97.5	Very high	74 Å²	74	36.2 Å²	36.2	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-57.8	-42.2	177.7	-165	73.6	178.2	0	0	111.7	F30 R50 A163 N165	F30-E161 WeakPolarHBondContact CD2-OE2 3.09Å; F30-E161 WeakPolarHBondContact CE2-OE2 3.41Å; R50-E161 IonicContact CZ-OE1 2.71Å; R50-E161 VanDerWaalsContact CZ-OE1 3.31Å; R50-E161 IonicContact CZ-OE2 3.58Å; R50-E161 VanDerWaalsContact NH1-CD 3.32Å; R50-E161 IonicContact NH1-OE1 2.9Å; R50-E161 PolarHBondContact NH1-OE1 3.15Å; R50-E161 VanDerWaalsContact NH1-OE1 3.15Å; R50-E161 IonicContact NH1-OE2 3.31Å; R50-E161 PolarHBondContact NH1-OE2 3.35Å; R50-E161 IonicContact NH2-OE1 3.15Å; R50-E161 PolarHBondContact NH2-OE1 2.89Å; R50-E161 IonicContact NH2-OE2 2.71Å; E161-A163 PolarHBondContact O-N 3.41Å; E161-N165 WeakPolarHBondContact O-CB 3.26Å; E161-N165 VanDerWaalsContact O-CG 3.29Å; E161-N165 PolarHBondContact O-N 3.47Å
162	A	98.3	Very high	97.2	Very high	36 Å²	36	35.3 Å²	35.3	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-65	-37.9	-179.5	0	0	0	0	0	112.4	L150 N159 V160 K166	L150-A162 HydrophobicContact CD2-CB 4.19Å; N159-A162 PolarHBondContact O-N 2.76Å; V160-A162 VanDerWaalsContact C-N 3.27Å; V160-A162 PolarHBondContact O-N 2.77Å; A162-K166 VanDerWaalsContact O-CB 3.25Å; A162-K166 WeakPolarHBondContact O-CB 3.4Å; A162-K166 VanDerWaalsContact O-CG 3.25Å; A162-K166 WeakPolarHBondContact O-CG 3.46Å; A162-K166 PolarHBondContact O-N 2.88Å
163	A	98.5	Very high	96.9	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-51.9	177.9	0	0	0	0	0	111.4	L87 M119 L150 T152 N159 V160 E161 V167	L87-A163 HydrophobicContact CD2-CB 4.04Å; M119-A163 HydrophobicContact SD-CB 3.79Å; L150-A163 HydrophobicContact CD2-CB 3.71Å; T152-A163 HydrophobicContact CG2-CB 4.17Å; N159-A163 PolarHBondContact O-N 2.83Å; V160-A163 PolarHBondContact O-N 2.55Å; E161-A163 PolarHBondContact O-N 3.41Å; A163-V167 WeakPolarHBondContact O-CG2 3.26Å; A163-V167 PolarHBondContact O-N 2.93Å
164	F	98.3	Very high	96.4	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-46.5	179.4	-75.7	-84.2	0	0	0	111.9	L15 F30 I63 L87 V160 K166 V167 L168	L15-F164 HydrophobicContact CD1-CZ 4.38Å; L15-F164 HydrophobicContact CD2-CE1 3.87Å; L15-F164 HydrophobicContact CD2-CZ 3.89Å; F30-F164 HydrophobicContact CB-CD2 3.69Å; F30-F164 HydrophobicContact CB-CE2 3.59Å; F30-F164 HydrophobicContact CB-CG 4.38Å; F30-F164 HydrophobicContact CB-CZ 4.18Å; F30-F164 HydrophobicContact CD1-CB 4.36Å; F30-F164 AromaticContact CD1-CD1 3.97Å; F30-F164 HydrophobicContact CD1-CD1 3.97Å; F30-F164 HydrophobicContact CD1-CD2 4.06Å; F30-F164 HydrophobicContact CD1-CE1 4.25Å; F30-F164 HydrophobicContact CD1-CE2 4.35Å; F30-F164 AromaticContact CD1-CG 3.87Å; F30-F164 HydrophobicContact CD1-CG 3.87Å; F30-F164 HydrophobicContact CD1-CZ 4.45Å; F30-F164 HydrophobicContact CD2-CB 3.71Å; F30-F164 AromaticContact CD2-CD2 3.55Å; F30-F164 HydrophobicContact CD2-CD2 3.55Å; F30-F164 HydrophobicContact CD2-CE2 4.34Å; F30-F164 AromaticContact CD2-CG 3.72Å; F30-F164 HydrophobicContact CD2-CG 3.72Å; F30-F164 HydrophobicContact CE1-CB 4.09Å; F30-F164 HydrophobicContact CE1-CD1 4.09Å; F30-F164 HydrophobicContact CE1-CG 4.03Å; F30-F164 HydrophobicContact CE2-CB 3.39Å; F30-F164 HydrophobicContact CE2-CD2 4.18Å; F30-F164 AromaticContact CE2-CG 3.88Å; F30-F164 HydrophobicContact CE2-CG 3.88Å; F30-F164 HydrophobicContact CG-CB 4.19Å; F30-F164 HydrophobicContact CG-CD1 4.24Å; F30-F164 AromaticContact CG-CD2 3.48Å; F30-F164 HydrophobicContact CG-CD2 3.48Å; F30-F164 VanDerWaalsContact CG-CD2 3.48Å; F30-F164 AromaticContact CG-CE2 3.85Å; F30-F164 HydrophobicContact CG-CE2 3.85Å; F30-F164 AromaticContact CG-CG 3.71Å; F30-F164 HydrophobicContact CG-CG 3.71Å; F30-F164 HydrophobicContact CG-CZ 4.37Å; F30-F164 HydrophobicContact CZ-CB 3.6Å; F30-F164 HydrophobicContact CZ-CD1 4.46Å; F30-F164 HydrophobicContact CZ-CG 4.03Å; I63-F164 HydrophobicContact CD1-CD1 3.92Å; I63-F164 HydrophobicContact CD1-CE1 3.75Å; I63-F164 HydrophobicContact CG1-CE1 4.4Å; I63-F164 HydrophobicContact CG2-CE1 4.11Å; L87-F164 HydrophobicContact CD1-CD1 3.93Å; L87-F164 HydrophobicContact CD1-CE1 3.8Å; L87-F164 HydrophobicContact CD1-CZ 4.44Å; L87-F164 HydrophobicContact CD2-CD1 4.35Å; L87-F164 HydrophobicContact CD2-CD2 4.35Å; L87-F164 HydrophobicContact CD2-CE1 4.17Å; L87-F164 HydrophobicContact CD2-CE2 4.17Å; L87-F164 HydrophobicContact CD2-CG 4.44Å; L87-F164 HydrophobicContact CD2-CZ 4.08Å; V160-F164 HydrophobicContact CG1-CD2 4.31Å; V160-F164 HydrophobicContact CG1-CE2 4.2Å; V160-F164 WeakPolarHBondContact O-CD2 3.38Å; V160-F164 PolarHBondContact O-N 3.4Å; F164-K166 PolarHBondContact O-N 2.94Å; F164-V167 PolarHBondContact O-N 3.22Å; F164-L168 VanDerWaalsContact O-CG 3.28Å; F164-L168 WeakPolarHBondContact O-CG 3.32Å; F164-L168 PolarHBondContact O-N 3.19Å
165	N	97.9	Very high	95.8	Very high	30 Å²	30	45.3 Å²	45.3	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-41.9	-178.4	-72.1	-9.7	0	0	0	112.2	L54 E161 V167 L168 E169	L54-N165 HydrophobicContact CD1-CB 4.41Å; L54-N165 HydrophobicContact CD2-CB 4.01Å; E161-N165 WeakPolarHBondContact O-CB 3.26Å; E161-N165 VanDerWaalsContact O-CG 3.29Å; E161-N165 PolarHBondContact O-N 3.47Å; N165-V167 VanDerWaalsContact C-N 3.34Å; N165-V167 PolarHBondContact O-N 2.94Å; N165-L168 PolarHBondContact O-N 3.16Å; N165-E169 WeakPolarHBondContact O-CB 3.31Å; N165-E169 VanDerWaalsContact O-CG 3.28Å; N165-E169 WeakPolarHBondContact O-CG 3.33Å; N165-E169 PolarHBondContact O-N 2.88Å
166	K	98	Very high	94.9	Very high	100 Å²	100	47.9 Å²	47.9	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-60.4	-41.7	176.1	-80.3	-179.2	176.9	-173.2	0	112.6	M119 L150 A162 F164 E170	M119-K166 HydrophobicContact CE-CB 3.71Å; M119-K166 HydrophobicContact CE-CD 4.15Å; L150-K166 HydrophobicContact CD1-CD 4.34Å; A162-K166 VanDerWaalsContact O-CB 3.25Å; A162-K166 WeakPolarHBondContact O-CB 3.4Å; A162-K166 VanDerWaalsContact O-CG 3.25Å; A162-K166 WeakPolarHBondContact O-CG 3.46Å; A162-K166 PolarHBondContact O-N 2.88Å; F164-K166 PolarHBondContact O-N 2.94Å; K166-E170 WeakPolarHBondContact O-CB 3.45Å; K166-E170 PolarHBondContact O-N 2.95Å
167	V	98	Very high	93.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-47.6	175.6	170.2	0	0	0	0	110.4	L87 V117 M119 L148 A163 F164 N165 E169 E170 I171	L87-V167 HydrophobicContact CD1-CG2 4.45Å; L87-V167 HydrophobicContact CG-CG2 4.47Å; V117-V167 HydrophobicContact CG1-CG1 4.34Å; M119-V167 HydrophobicContact CB-CG2 3.58Å; M119-V167 HydrophobicContact CE-CG2 4.03Å; M119-V167 HydrophobicContact CG-CG2 4.49Å; M119-V167 HydrophobicContact SD-CG2 4.21Å; L148-V167 HydrophobicContact CD1-CG2 4.34Å; A163-V167 WeakPolarHBondContact O-CG2 3.26Å; A163-V167 PolarHBondContact O-N 2.93Å; F164-V167 PolarHBondContact O-N 3.22Å; N165-V167 VanDerWaalsContact C-N 3.34Å; N165-V167 PolarHBondContact O-N 2.94Å; V167-E169 PolarHBondContact O-N 3.43Å; V167-E170 PolarHBondContact O-N 3.3Å; V167-I171 HydrophobicContact CG1-CD1 3.71Å; V167-I171 HydrophobicContact CG1-CG1 4.46Å; V167-I171 WeakPolarHBondContact O-CD1 3.45Å; V167-I171 WeakPolarHBondContact O-CG1 3.34Å; V167-I171 PolarHBondContact O-N 2.83Å
168	L	97	Very high	91.7	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-40.3	-179.8	-64.6	171.7	0	0	0	112.5	F11 V13 V52 L54 I59 A61 F164 N165 I171 H172	F11-L168 HydrophobicContact CB-CD2 4.04Å; F11-L168 HydrophobicContact CD2-CD2 3.87Å; F11-L168 HydrophobicContact CG-CD2 4.49Å; V13-L168 HydrophobicContact CG2-CD2 3.98Å; V52-L168 HydrophobicContact CG2-CD1 3.61Å; L54-L168 HydrophobicContact CD1-CB 3.66Å; L54-L168 HydrophobicContact CD1-CD1 4.22Å; I59-L168 HydrophobicContact CG2-CD2 4.26Å; A61-L168 HydrophobicContact CB-CD1 3.95Å; A61-L168 HydrophobicContact CB-CD2 3.95Å; F164-L168 VanDerWaalsContact O-CG 3.28Å; F164-L168 WeakPolarHBondContact O-CG 3.32Å; F164-L168 PolarHBondContact O-N 3.19Å; N165-L168 PolarHBondContact O-N 3.16Å; L168-I171 PolarHBondContact O-N 2.9Å; L168-H172 WeakPolarHBondContact O-CB 3.24Å; L168-H172 PolarHBondContact O-N 2.71Å
169	E	95.8	Very high	89.4	Confident	56 Å²	56	57.8 Å²	57.8	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-44.7	174.6	-77.5	174.9	-166.9	0	0	111.7	L54 N165 V167 H172 K173	L54-E169 HydrophobicContact CB-CG 4.4Å; L54-E169 HydrophobicContact CD1-CG 4.13Å; L54-E169 HydrophobicContact CD2-CG 4.31Å; N165-E169 WeakPolarHBondContact O-CB 3.31Å; N165-E169 VanDerWaalsContact O-CG 3.28Å; N165-E169 WeakPolarHBondContact O-CG 3.33Å; N165-E169 PolarHBondContact O-N 2.88Å; V167-E169 PolarHBondContact O-N 3.43Å; E169-H172 WeakPolarHBondContact O-CB 3.3Å; E169-H172 PolarHBondContact O-N 2.86Å; E169-K173 WeakPolarHBondContact O-CG 3.47Å; E169-K173 PolarHBondContact O-N 3.15Å
170	E	95.6	Very high	87	Confident	57 Å²	57	55.4 Å²	55.4	27%	0.266	27%	0.272	S	S	.	.	H	α-helix	trans	-69.9	-36.9	-178.7	-165.3	60.3	-151.8	0	0	111.8	V117 L148 K166 V167 H172 K173 K174	V117-E170 HydrophobicContact CG1-CB 3.94Å; V117-E170 HydrophobicContact CG1-CG 4.01Å; V117-E170 HydrophobicContact CG2-CB 4.41Å; V117-E170 HydrophobicContact CG2-CG 4.19Å; L148-E170 HydrophobicContact CD1-CB 4.22Å; L148-E170 HydrophobicContact CD1-CG 4.41Å; K166-E170 WeakPolarHBondContact O-CB 3.45Å; K166-E170 PolarHBondContact O-N 2.95Å; V167-E170 PolarHBondContact O-N 3.3Å; E170-H172 VanDerWaalsContact C-N 3.35Å; E170-K173 PolarHBondContact O-N 3.28Å; E170-K173 WeakPolarHBondContact OE2-CD 3.43Å; E170-K173 IonicContact OE2-NZ 3.34Å; E170-K173 PolarHBondContact OE2-NZ 3.1Å; E170-K174 PolarHBondContact O-N 2.66Å
171	I	94.1	Very high	84.4	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-47.7	170.1	-64.9	160.7	0	0	0	109.9	F11 V13 V84 V117 V167 L168 K173 K174 V175	F11-I171 HydrophobicContact CD1-CG2 3.89Å; F11-I171 HydrophobicContact CD2-CB 4.06Å; F11-I171 HydrophobicContact CD2-CG2 3.71Å; F11-I171 HydrophobicContact CE1-CG2 3.95Å; F11-I171 HydrophobicContact CE2-CB 4.07Å; F11-I171 HydrophobicContact CE2-CG2 3.75Å; F11-I171 HydrophobicContact CG-CG2 3.81Å; F11-I171 HydrophobicContact CZ-CG2 3.9Å; V13-I171 HydrophobicContact CG2-CD1 4.43Å; V84-I171 HydrophobicContact CB-CG2 4.27Å; V84-I171 HydrophobicContact CG2-CD1 4.26Å; V84-I171 HydrophobicContact CG2-CG2 3.95Å; V84-I171 WeakPolarHBondContact O-CG1 3.37Å; V117-I171 HydrophobicContact CB-CG1 3.73Å; V117-I171 HydrophobicContact CG1-CG1 4.46Å; V117-I171 HydrophobicContact CG2-CB 4.48Å; V117-I171 HydrophobicContact CG2-CG1 3.66Å; V167-I171 HydrophobicContact CG1-CD1 3.71Å; V167-I171 HydrophobicContact CG1-CG1 4.46Å; V167-I171 WeakPolarHBondContact O-CD1 3.45Å; V167-I171 WeakPolarHBondContact O-CG1 3.34Å; V167-I171 PolarHBondContact O-N 2.83Å; L168-I171 PolarHBondContact O-N 2.9Å; I171-K173 VanDerWaalsContact C-N 3.34Å; I171-K173 PolarHBondContact O-N 2.91Å; I171-K174 PolarHBondContact O-N 3.11Å; I171-V175 HydrophobicContact CG2-CG2 4.28Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.41Å; I171-V175 PolarHBondContact O-N 3.34Å
172	H	92.1	Very high	81.7	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-43.3	178.9	178.4	-102.6	0	0	0	112	F9 F11 F57 I59 L168 E169 E170 K174 V175 N176	F9-H172 AromaticContact CD2-CD2 3.89Å; F9-H172 AromaticContact CE2-CD2 3.46Å; F9-H172 VanDerWaalsContact CE2-CD2 3.46Å; F9-H172 WeakPolarHBondContact CE2-CD2 3.19Å; F9-H172 AromaticContact CE2-NE2 3.4Å; F9-H172 WeakPolarHBondContact CE2-NE2 3.24Å; F9-H172 AromaticContact CZ-CD2 3.73Å; F9-H172 AromaticContact CZ-NE2 3.65Å; F11-H172 HydrophobicContact CE2-CB 3.98Å; F11-H172 HydrophobicContact CZ-CB 4.13Å; F57-H172 AromaticContact CD2-CE1 3.58Å; F57-H172 AromaticContact CD2-NE2 3.53Å; F57-H172 AromaticContact CE2-CE1 3.64Å; F57-H172 AromaticContact CE2-NE2 3.74Å; F57-H172 AromaticContact CG-NE2 3.93Å; I59-H172 HydrophobicContact CD1-CB 4.29Å; L168-H172 WeakPolarHBondContact O-CB 3.24Å; L168-H172 PolarHBondContact O-N 2.71Å; E169-H172 WeakPolarHBondContact O-CB 3.3Å; E169-H172 PolarHBondContact O-N 2.86Å; E170-H172 VanDerWaalsContact C-N 3.35Å; H172-K174 PolarHBondContact O-N 3.17Å; H172-V175 PolarHBondContact O-N 2.82Å; H172-N176 WeakPolarHBondContact O-CB 3.43Å; H172-N176 PolarHBondContact O-N 2.84Å
173	K	91.3	Very high	79.5	Confident	107 Å²	107	71 Å²	71	47%	0.465	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-47.2	174.9	-72.5	175.7	-160	159.5	0	111.6	E169 E170 I171 V175 N176 S177	E169-K173 WeakPolarHBondContact O-CG 3.47Å; E169-K173 PolarHBondContact O-N 3.15Å; E170-K173 PolarHBondContact O-N 3.28Å; E170-K173 WeakPolarHBondContact OE2-CD 3.43Å; E170-K173 IonicContact OE2-NZ 3.34Å; E170-K173 PolarHBondContact OE2-NZ 3.1Å; I171-K173 VanDerWaalsContact C-N 3.34Å; I171-K173 PolarHBondContact O-N 2.91Å; K173-V175 PolarHBondContact O-N 2.83Å; K173-N176 PolarHBondContact O-N 3.37Å; K173-S177 WeakPolarHBondContact O-CB 3.46Å; K173-S177 PolarHBondContact O-N 3.03Å; K173-S177 PolarHBondContact O-OG 2.85Å
174	K	88.3	Confident	77.3	Confident	66 Å²	66	73.3 Å²	73.3	29%	0.287	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-43.1	177.5	-73.3	-169.2	-178.5	-175.4	0	112.2	H115 V117 E170 I171 H172 N176 S177 V180 I185	H115-K174 PolarHBondContact O-NZ 2.85Å; V117-K174 HydrophobicContact CG2-CD 3.77Å; E170-K174 PolarHBondContact O-N 2.66Å; I171-K174 PolarHBondContact O-N 3.11Å; H172-K174 PolarHBondContact O-N 3.17Å; K174-N176 VanDerWaalsContact C-N 3.31Å; K174-N176 PolarHBondContact O-N 3.36Å; K174-S177 WeakPolarHBondContact CA-OG 3.41Å; K174-S177 PolarHBondContact O-OG 2.75Å; K174-V180 VanDerWaalsContact O-CG2 3.24Å; K174-V180 WeakPolarHBondContact O-CG2 3.36Å; K174-I185 HydrophobicContact CB-CD1 3.88Å
175	V	84.3	Confident	75.6	Confident	39 Å²	39	74 Å²	74	24%	0.236	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-36.3	177.6	171.9	0	0	0	0	111.7	F9 F11 I171 H172 K173 I185 A187	F9-V175 HydrophobicContact CE1-CG1 4.14Å; F11-V175 HydrophobicContact CE1-CG2 4.36Å; I171-V175 HydrophobicContact CG2-CG2 4.28Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.41Å; I171-V175 PolarHBondContact O-N 3.34Å; H172-V175 PolarHBondContact O-N 2.82Å; K173-V175 PolarHBondContact O-N 2.83Å; V175-I185 HydrophobicContact CG2-CD1 4.22Å; V175-I185 HydrophobicContact CG2-CG2 4.01Å; V175-A187 HydrophobicContact CG2-CB 3.73Å
176	N	79.9	Confident	74.1	Confident	116 Å²	116	77.3 Å²	77.3	62%	0.62	39%	0.391	S	S	*	.	H	α-helix	trans	-85.7	-26.8	-178	-162.8	41.1	0	0	0	113.6	H172 K173 K174 K178	H172-N176 WeakPolarHBondContact O-CB 3.43Å; H172-N176 PolarHBondContact O-N 2.84Å; K173-N176 PolarHBondContact O-N 3.37Å; K174-N176 VanDerWaalsContact C-N 3.31Å; K174-N176 PolarHBondContact O-N 3.36Å; N176-K178 PolarHBondContact O-N 2.81Å
177	S	73.4	Confident	72.9	Confident	44 Å²	44	73.4 Å²	73.4	31%	0.308	38%	0.377	S	S	.	.	S	Bend	trans	-67.8	120.3	171.2	63.3	0	0	0	0	109.1	K173 K174 E179 V180	K173-S177 WeakPolarHBondContact O-CB 3.46Å; K173-S177 PolarHBondContact O-N 3.03Å; K173-S177 PolarHBondContact O-OG 2.85Å; K174-S177 WeakPolarHBondContact CA-OG 3.41Å; K174-S177 PolarHBondContact O-OG 2.75Å; S177-E179 PolarHBondContact O-N 3.43Å; S177-V180 PolarHBondContact O-N 2.84Å
178	K	53	Low	71.9	Confident	208 Å²	208	77 Å²	77	90%	0.904	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	7.8	-179.6	-63.9	179.3	179.9	177.2	0	115	N176 V180	N176-K178 PolarHBondContact O-N 2.81Å; K178-V180 VanDerWaalsContact C-N 3.35Å
179	E	49.6	Very low	70.9	Confident	180 Å²	180	79.9 Å²	79.9	84%	0.841	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.3	176.9	-63.7	-167.3	155.4	0	0	113.1	S177 V181	S177-E179 PolarHBondContact O-N 3.43Å; E179-V181 PolarHBondContact O-N 2.97Å
180	V	48.1	Very low	69.3	Low	25 Å²	25	80.8 Å²	80.8	15%	0.152	42%	0.423	C	S	.	.	S	Bend	trans	-91.1	105.4	169.3	-177.3	0	0	0	0	106.4	K174 S177 K178 R182 I185	K174-V180 VanDerWaalsContact O-CG2 3.24Å; K174-V180 WeakPolarHBondContact O-CG2 3.36Å; S177-V180 PolarHBondContact O-N 2.84Å; K178-V180 VanDerWaalsContact C-N 3.35Å; V180-R182 PolarHBondContact O-N 3.29Å; V180-R182 VanDerWaalsContact O-N 3.15Å; V180-I185 HydrophobicContact CB-CD1 4.2Å; V180-I185 HydrophobicContact CG1-CB 4.08Å; V180-I185 HydrophobicContact CG1-CD1 3.74Å; V180-I185 HydrophobicContact CG1-CG1 3.55Å; V180-I185 HydrophobicContact CG2-CD1 3.52Å; V180-I185 HydrophobicContact CG2-CG1 4.18Å
181	V	43.5	Very low	67.3	Low	109 Å²	109	85 Å²	85	66%	0.661	45%	0.448	S	S	*	.			trans	-44.5	126.2	171	178.6	0	0	0	0	107.2	E179 G183 S184	E179-V181 PolarHBondContact O-N 2.97Å; V181-G183 PolarHBondContact O-N 2.99Å; V181-S184 PolarHBondContact O-N 2.9Å; V181-S184 PolarHBondContact O-OG 2.8Å
182	R	41.7	Very low	65	Low	259 Å²	259	90.1 Å²	90.1	98%	0.977	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	102.6	179.7	-81.9	178.9	168.6	-179.9	-4	109.2	V180	V180-R182 PolarHBondContact O-N 3.29Å; V180-R182 VanDerWaalsContact O-N 3.15Å
183	G	50.4	Low	62.6	Low	72 Å²	72	94.7 Å²	94.7	74%	0.742	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.9	-4.5	-177.2	0	0	0	0	0	117.7	V181	V181-G183 PolarHBondContact O-N 2.99Å
184	S	53.7	Low	60.2	Low	49 Å²	49	99.7 Å²	99.7	34%	0.343	53%	0.533	S	S	.	.	S	Bend	trans	-82.5	-20.9	-177.6	-58.7	0	0	0	0	115.2	V181	V181-S184 PolarHBondContact O-N 2.9Å; V181-S184 PolarHBondContact O-OG 2.8Å
185	I	60.9	Low	57.5	Low	19 Å²	19	101.6 Å²	101.6	10%	0.097	56%	0.561	C	S	.	*	S	Bend	trans	-106.5	129	173.3	-67.9	173.3	0	0	0	108.3	V84 H115 K174 V175 V180 A187	V84-I185 HydrophobicContact CB-CG2 4.07Å; V84-I185 HydrophobicContact CG1-CG2 3.5Å; H115-I185 HydrophobicContact CB-CD1 4.32Å; H115-I185 HydrophobicContact CB-CG1 3.96Å; K174-I185 HydrophobicContact CB-CD1 3.88Å; V175-I185 HydrophobicContact CG2-CD1 4.22Å; V175-I185 HydrophobicContact CG2-CG2 4.01Å; V180-I185 HydrophobicContact CB-CD1 4.2Å; V180-I185 HydrophobicContact CG1-CB 4.08Å; V180-I185 HydrophobicContact CG1-CD1 3.74Å; V180-I185 HydrophobicContact CG1-CG1 3.55Å; V180-I185 HydrophobicContact CG2-CD1 3.52Å; V180-I185 HydrophobicContact CG2-CG1 4.18Å; I185-A187 HydrophobicContact CG2-CB 3.75Å; I185-A187 PolarHBondContact O-N 2.9Å
186	N	67.6	Low	55.2	Low	98 Å²	98	106.2 Å²	106.2	52%	0.524	58%	0.58	S	S	.	*			trans	-66.6	18.2	178.8	-71.4	-70.7	0	0	0	115.4	V84 D113	V84-N186 HydrophobicContact CG1-CB 4.05Å; D113-N186 PolarHBondContact OD2-N 3.48Å; D113-N186 VanDerWaalsContact OD2-N 3.15Å; D113-N186 PolarHBondContact OD2-ND2 2.98Å
187	A	72.6	Confident	53	Low	18 Å²	18	106.2 Å²	106.2	15%	0.149	59%	0.59	C	S	.	*			trans	-75.9	131.4	179	0	0	0	0	0	110.7	F11 V84 V175 I185	F11-A187 HydrophobicContact CD1-CB 3.78Å; F11-A187 HydrophobicContact CE1-CB 3.73Å; V84-A187 HydrophobicContact CG1-CB 4.44Å; V175-A187 HydrophobicContact CG2-CB 3.73Å; I185-A187 HydrophobicContact CG2-CB 3.75Å; I185-A187 PolarHBondContact O-N 2.9Å
188	V	76.1	Confident	51.2	Low	76 Å²	76	111.5 Å²	111.5	46%	0.461	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.7	117	177.6	-177	0	0	0	0	108.6	F9 V10 L190	F9-V188 WeakPolarHBondContact CA-O 3.5Å; V10-V188 HydrophobicContact CB-CB 4.14Å; V10-V188 HydrophobicContact CG2-CB 4.42Å; V10-V188 PolarHBondContact N-O 3.17Å; V10-V188 PolarHBondContact O-N 3.04Å; V188-L190 HydrophobicContact CG1-CD2 3.71Å; V188-L190 HydrophobicContact CG1-CG 4.38Å
189	T	76.3	Confident	50.4	Low	65 Å²	65	110.6 Å²	110.6	40%	0.399	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	114.9	170.4	-55.2	0	0	0	0	108.6	F9 N191	F9-T189 HydrophobicContact CD1-CG2 4.08Å; F9-T189 HydrophobicContact CE1-CG2 3.65Å; F9-T189 WeakPolarHBondContact CE1-OG1 3.2Å; F9-T189 HydrophobicContact CZ-CG2 4.37Å; T189-N191 PolarHBondContact O-N 3.36Å
190	L	62.9	Low	49.8	Very low	74 Å²	74	110.5 Å²	110.5	39%	0.387	61%	0.608	S	S	.	*			trans	-90.8	82.2	175.7	-62.9	-168.9	0	0	0	108.5	Y7 N8 V188 S192	Y7-L190 HydrophobicContact CD2-CD1 3.7Å; Y7-L190 HydrophobicContact CD2-CG 4.4Å; Y7-L190 HydrophobicContact CE2-CD1 3.07Å; Y7-L190 HydrophobicContact CE2-CG 3.96Å; N8-L190 PolarHBondContact O-N 2.84Å; V188-L190 HydrophobicContact CG1-CD2 3.71Å; V188-L190 HydrophobicContact CG1-CG 4.38Å; L190-S192 PolarHBondContact O-N 3.5Å
191	N	52.9	Low	49.3	Very low	146 Å²	146	117.7 Å²	117.7	78%	0.781	64%	0.64	S	S	*	*			trans	-59.8	110.7	168.5	-90.5	-3.9	0	0	0	108.8	T189 S193	T189-N191 PolarHBondContact O-N 3.36Å; N191-S193 PolarHBondContact O-N 3.29Å
192	S	46.9	Very low	49.2	Very low	110 Å²	110	121.9 Å²	121.9	77%	0.769	65%	0.649	S	S	*	*			trans	-62.9	119.9	161	57.4	0	0	0	0	107.8	L190 R194	L190-S192 PolarHBondContact O-N 3.5Å; S192-R194 PolarHBondContact O-N 3.13Å
193	S	41.9	Very low	49.4	Very low	108 Å²	108	118.4 Å²	118.4	76%	0.755	64%	0.641	S	S	*	*			trans	-61.3	124.7	-174.7	45.7	0	0	0	0	114.3	N191	N191-S193 PolarHBondContact O-N 3.29Å
194	R	40.2	Very low	49.2	Very low	212 Å²	212	120.9 Å²	120.9	80%	0.8	64%	0.644	S	S	*	*			trans	77.5	114.8	140.4	-66.9	-177.6	173.6	175.7	-1.5	121.6	S192	S192-R194 PolarHBondContact O-N 3.13Å
195	A	31.1	Very low	48.6	Very low	107 Å²	107	124.2 Å²	124.2	88%	0.884	67%	0.666	S	S	*	*				-128.4	68.2	127.6	0	0	0	0	0	109	S197	A195-S197 PolarHBondContact O-N 3.31Å
196	E	36	Very low	48	Very low	136 Å²	136	129.5 Å²	129.5	64%	0.636	70%	0.703	S	S	*	*			trans	-83.9	98.7	154.6	-79.4	179	172	0	0	106.2	Q198	E196-Q198 PolarHBondContact O-N 2.97Å
197	S	33.8	Very low	47.5	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	72%	0.715	S	S	*	*			trans	-69.5	90.1	157.7	49.2	0	0	0	0	107.1	A195 E199	A195-S197 PolarHBondContact O-N 3.31Å; S197-E199 PolarHBondContact O-N 2.82Å; S197-E199 VanDerWaalsContact O-N 3.17Å
198	Q	35.4	Very low	46.1	Very low	154 Å²	154	139.4 Å²	139.4	72%	0.72	75%	0.745	S	S	*	*			trans	-70.2	102	160.3	-69.2	-174.7	-2.2	0	0	106.5	E196 E200	E196-Q198 PolarHBondContact O-N 2.97Å; Q198-E200 PolarHBondContact O-N 2.99Å; Q198-E200 VanDerWaalsContact O-N 3.1Å
199	E	37.2	Very low	44.6	Very low	190 Å²	190	146.8 Å²	146.8	89%	0.888	78%	0.78	S	S	*	*			trans	-60.8	106	157.2	-92.9	177.1	153.4	0	0	107.2	S197 E201	S197-E199 PolarHBondContact O-N 2.82Å; S197-E199 VanDerWaalsContact O-N 3.17Å; E199-E201 PolarHBondContact O-N 3.02Å
200	E	37.4	Very low	43	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	80%	0.799	S	S	*	*			trans	-61.8	101.1	164.7	-82.4	-176.9	148	0	0	108.8	Q198 K202	Q198-E200 PolarHBondContact O-N 2.99Å; Q198-E200 VanDerWaalsContact O-N 3.1Å; E200-K202 PolarHBondContact O-N 3.1Å
201	E	37.7	Very low	41.9	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	82%	0.821	S	S	*	*			trans	-60.4	100.7	158.9	-89.9	-169.8	149.6	0	0	108.8	E199 K203	E199-E201 PolarHBondContact O-N 3.02Å; E201-K203 PolarHBondContact O-N 3.08Å
202	K	40	Very low	41.3	Very low	197 Å²	197	155.4 Å²	155.4	86%	0.857	82%	0.823	S	S	*	*			trans	-59.4	103.1	166.9	-75.3	-177.7	177.4	176.7	0	109.6	E200	E200-K202 PolarHBondContact O-N 3.1Å
203	K	47	Very low	41	Very low	186 Å²	186	158.1 Å²	158.1	81%	0.809	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.7	131	165.1	-71.9	-175.3	178.9	178.5	0	110	E201	E201-K203 PolarHBondContact O-N 3.08Å
204	P	45.9	Very low	40.9	Very low	123 Å²	123	161.3 Å²	161.3	80%	0.799	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.8	146	177.6	30.7	-31.7	0	0	0	111.3
205	C	40.6	Very low	41	Very low	119 Å²	119	157.9 Å²	157.9	80%	0.804	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-65.8	123.6	179.1	-167.8	0	0	0	0	111.3
206	C	49.1	Very low	41.7	Very low	131 Å²	131	161.5 Å²	161.5	89%	0.885	83%	0.829	S	S	*	*			trans	-89.8	106	165.7	-70.4	0	0	0	0	109.5
207	K	55.4	Low	42.1	Very low	176 Å²	176	163.5 Å²	163.5	77%	0.765	84%	0.844	S	S	*	*			trans	-77	160.1	153.5	-78.8	-178.8	173.1	180	0	109.6
208	N	43.3	Very low	42.8	Very low	148 Å²	148	167.4 Å²	167.4	79%	0.791	85%	0.846	S	S	*	*			trans	118.5	133.4	159.2	-63	-7.5	0	0	0	111.6
209	I	44.5	Very low	43.5	Very low	231 Å²	231	168.6 Å²	168.6	100%	1.185	86%	0.858	S	S	*	*			cis	-152.6	0	6	-106.6	152.8	0	0	0	106.3

Retrieved 209 of 209 residues in 669.3 ms (Link to these results)

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