A0A093K161_STRCA Loading...

Ras-related protein Rab-30

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 sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB30 is required for maintaining the structural integrity of the Golgi apparatus, possibly by mediating interactions with cytoplasmic scaffolding proteins. Facilitates lipid homeostasis during fasting by regulating hepatic protein and lipid trafficking in a PPAR-alpha-dependent manner. Promotes autophagosome biogenesis during bacterial infection such as group A Streptococcus infection.

AlphaFold DB , UniProt , Accession A0A093K161, Species STRCA (Struthio camelus australis), Gene n/a, Length 203 aa.

Structure Viewer

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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	40	Very low	77.5	Confident	240 Å²	240	102.9 Å²	102.9	100%	1.182	52%	0.521	S	S	*	.				0	102.7	0	-85.2	155.3	61.6	0	0	106.3	M3	M1-M3 PolarHBondContact O-N 3.47Å
2	S	44.8	Very low	79.1	Confident	111 Å²	111	94.3 Å²	94.3	78%	0.776	48%	0.478	S	S	*	.			trans	-52.7	122.7	-179.4	45	0	0	0	0	109.3	E4	S2-E4 PolarHBondContact O-N 3.01Å
3	M	56.2	Low	80.5	Confident	151 Å²	151	87.2 Å²	87.2	74%	0.744	44%	0.441	S	S	*	.			trans	-48.3	125.7	155.7	-91.5	174.6	168.7	0	0	105.4	M1 D5	M1-M3 PolarHBondContact O-N 3.47Å; M3-D5 PolarHBondContact O-N 3.25Å
4	E	60.3	Low	81.6	Confident	158 Å²	158	80.9 Å²	80.9	74%	0.738	41%	0.41	S	S	*	.			trans	-54.6	108.3	168.9	-71	177.3	162.4	0	0	106.8	S2 Y6	S2-E4 PolarHBondContact O-N 3.01Å; E4-Y6 WeakPolarHBondContact O-CD1 3.21Å; E4-Y6 PolarHBondContact O-N 2.89Å
5	D	81.3	Confident	82.5	Confident	137 Å²	137	75.5 Å²	75.5	73%	0.733	38%	0.383	S	S	*	.			trans	-60.3	121.1	-178.7	-74.7	-36.5	0	0	0	107.7	M3	M3-D5 PolarHBondContact O-N 3.25Å
6	Y	90.3	Very high	83.4	Confident	83 Å²	83	70.8 Å²	70.8	33%	0.325	36%	0.359	S	S	.	.			trans	-111.9	142.5	172.1	52.9	-97.8	0	0	0	107.9	E4 F8 L9 K59	E4-Y6 WeakPolarHBondContact O-CD1 3.21Å; E4-Y6 PolarHBondContact O-N 2.89Å; Y6-F8 WeakPolarHBondContact CD2-O 3.23Å; Y6-L9 HydrophobicContact CD2-CB 3.94Å; Y6-L9 HydrophobicContact CE2-CB 3.46Å; Y6-L9 VanDerWaalsContact CE2-CB 3.46Å; Y6-L9 HydrophobicContact CE2-CD1 3.98Å; Y6-L9 HydrophobicContact CE2-CG 4.36Å; Y6-L9 WeakPolarHBondContact OH-CD1 3.4Å; Y6-K59 HydrophobicContact CD1-CB 4.08Å; Y6-K59 HydrophobicContact CD1-CD 3.59Å; Y6-K59 HydrophobicContact CD2-CB 4.26Å; Y6-K59 HydrophobicContact CE1-CD 3.64Å; Y6-K59 HydrophobicContact CG-CB 3.86Å; Y6-K59 HydrophobicContact CG-CD 4.23Å
7	D	93.5	Very high	84	Confident	90 Å²	90	68.6 Å²	68.6	48%	0.481	35%	0.348	S	S	.	.	S	Bend	trans	-76.4	-34.8	179.9	-54.3	-62.2	0	0	0	110.8	E56 K57	D7-E56 HydrophobicContact CB-CB 4.39Å; D7-E56 WeakPolarHBondContact CB-OE2 3.28Å; D7-E56 WeakPolarHBondContact OD2-CA 3.44Å; D7-K57 PolarHBondContact N-O 2.92Å; D7-K57 PolarHBondContact OD2-N 2.81Å
8	F	95.4	Very high	84.5	Confident	37 Å²	37	67.7 Å²	67.7	16%	0.162	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.7	179.2	-64.8	-84	0	0	0	112.3	Y6 F10 E56 K57 V58 K59 I171 A174 R175	Y6-F8 WeakPolarHBondContact CD2-O 3.23Å; F8-F10 HydrophobicContact CB-CD2 4.33Å; F8-F10 HydrophobicContact CB-CE2 3.61Å; F8-F10 HydrophobicContact CB-CZ 3.72Å; F8-F10 HydrophobicContact CD1-CE1 4.38Å; F8-F10 HydrophobicContact CD1-CE2 4.37Å; F8-F10 AromaticContact CD1-CZ 3.68Å; F8-F10 HydrophobicContact CD1-CZ 3.68Å; F8-F10 HydrophobicContact CG-CE2 4.12Å; F8-F10 AromaticContact CG-CZ 3.9Å; F8-F10 HydrophobicContact CG-CZ 3.9Å; F8-E56 HydrophobicContact CD2-CB 4.47Å; F8-E56 HydrophobicContact CE2-CG 4.46Å; F8-E56 WeakPolarHBondContact CE2-OE2 3.24Å; F8-K57 PolarHBondContact N-O 3.42Å; F8-V58 HydrophobicContact CB-CG1 4.25Å; F8-V58 HydrophobicContact CB-CG2 4.17Å; F8-V58 HydrophobicContact CD2-CG2 4.33Å; F8-V58 WeakPolarHBondContact O-CA 3.38Å; F8-K59 PolarHBondContact O-N 3.28Å; F8-I171 HydrophobicContact CD2-CG1 4.02Å; F8-I171 HydrophobicContact CD2-CG2 4.46Å; F8-I171 HydrophobicContact CE2-CG1 4.29Å; F8-I171 HydrophobicContact CE2-CG2 3.88Å; F8-I171 HydrophobicContact CG-CG1 4.26Å; F8-I171 HydrophobicContact CZ-CG2 3.98Å; F8-A174 HydrophobicContact CD1-CB 4.13Å; F8-A174 HydrophobicContact CE1-CB 3.81Å; F8-R175 HydrophobicContact CZ-CG 4.32Å
9	L	96.2	Very high	85	Confident	52 Å²	52	67.3 Å²	67.3	27%	0.272	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.8	167.2	178.8	154.3	0	0	0	109.2	Y6 K11 K59 Q61	Y6-L9 HydrophobicContact CD2-CB 3.94Å; Y6-L9 HydrophobicContact CE2-CB 3.46Å; Y6-L9 VanDerWaalsContact CE2-CB 3.46Å; Y6-L9 HydrophobicContact CE2-CD1 3.98Å; Y6-L9 HydrophobicContact CE2-CG 4.36Å; Y6-L9 WeakPolarHBondContact OH-CD1 3.4Å; L9-K11 HydrophobicContact CD2-CG 4.18Å; L9-K59 WeakPolarHBondContact CA-O 3.48Å; L9-K59 HydrophobicContact CD1-CD 4.41Å; L9-Q61 HydrophobicContact CD1-CG 4.49Å; L9-Q61 HydrophobicContact CG-CG 4.45Å
10	F	97.4	Very high	85.6	Confident	11 Å²	11	64.1 Å²	64.1	5%	0.048	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.5	177.5	-60.2	-55.7	0	0	0	112.2	F8 V58 K59 L60 Q61 N83 L170 I171 A174	F8-F10 HydrophobicContact CB-CD2 4.33Å; F8-F10 HydrophobicContact CB-CE2 3.61Å; F8-F10 HydrophobicContact CB-CZ 3.72Å; F8-F10 HydrophobicContact CD1-CE1 4.38Å; F8-F10 HydrophobicContact CD1-CE2 4.37Å; F8-F10 AromaticContact CD1-CZ 3.68Å; F8-F10 HydrophobicContact CD1-CZ 3.68Å; F8-F10 HydrophobicContact CG-CE2 4.12Å; F8-F10 AromaticContact CG-CZ 3.9Å; F8-F10 HydrophobicContact CG-CZ 3.9Å; F10-V58 HydrophobicContact CD2-CG1 3.54Å; F10-V58 HydrophobicContact CE2-CG1 3.78Å; F10-K59 PolarHBondContact N-O 3.34Å; F10-L60 HydrophobicContact CB-CD2 4.12Å; F10-L60 HydrophobicContact CD2-CD2 4.27Å; F10-Q61 PolarHBondContact O-N 3.29Å; F10-N83 WeakPolarHBondContact CA-OD1 3.36Å; F10-N83 HydrophobicContact CB-CB 4.46Å; F10-N83 HydrophobicContact CD1-CB 4.29Å; F10-L170 HydrophobicContact CB-CD1 3.87Å; F10-L170 HydrophobicContact CD1-CB 3.93Å; F10-L170 HydrophobicContact CD1-CD1 4.26Å; F10-L170 HydrophobicContact CD1-CD2 4.47Å; F10-L170 HydrophobicContact CD1-CG 4.48Å; F10-L170 HydrophobicContact CD2-CB 3.82Å; F10-L170 HydrophobicContact CD2-CD1 4.11Å; F10-L170 HydrophobicContact CE1-CB 3.8Å; F10-L170 HydrophobicContact CE2-CB 3.68Å; F10-L170 HydrophobicContact CG-CB 3.95Å; F10-L170 HydrophobicContact CG-CD1 3.82Å; F10-L170 HydrophobicContact CG-CG 4.42Å; F10-L170 VanDerWaalsContact CZ-C 3.5Å; F10-L170 HydrophobicContact CZ-CB 3.67Å; F10-I171 HydrophobicContact CE2-CG1 3.83Å; F10-I171 HydrophobicContact CZ-CG1 4.19Å; F10-A174 HydrophobicContact CE1-CB 4.28Å; F10-A174 HydrophobicContact CZ-CB 4.3Å
11	K	96.6	Very high	86.1	Confident	62 Å²	62	61.7 Å²	61.7	27%	0.27	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.3	177.2	-63	-178.3	174.1	179.5	0	110	L9 Q61 W63 S81 N83 A84	L9-K11 HydrophobicContact CD2-CG 4.18Å; K11-Q61 CarbonylContact C-O 3.39Å; K11-Q61 WeakPolarHBondContact CA-O 3.33Å; K11-Q61 HydrophobicContact CG-CB 4.36Å; K11-W63 HydrophobicContact CB-CE3 4.4Å; K11-W63 HydrophobicContact CB-CH2 4.1Å; K11-W63 HydrophobicContact CB-CZ3 3.49Å; K11-W63 VanDerWaalsContact CB-CZ3 3.49Å; K11-W63 HydrophobicContact CD-CH2 3.87Å; K11-W63 HydrophobicContact CD-CZ3 4.13Å; K11-W63 HydrophobicContact CG-CH2 3.7Å; K11-W63 HydrophobicContact CG-CZ3 3.6Å; K11-S81 VanDerWaalsContact CD-O 3.24Å; K11-S81 WeakPolarHBondContact CD-O 3.33Å; K11-N83 PolarHBondContact N-OD1 2.95Å; K11-N83 PolarHBondContact O-N 3.34Å; K11-A84 PolarHBondContact O-N 2.93Å; K11-A84 VanDerWaalsContact O-N 3.12Å
12	I	97.5	Very high	88.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.4	-178	-59.5	173.8	0	0	0	108.2	L14 L60 Q61 I62 W63 A84 I86 F163 L166	I12-L14 HydrophobicContact CG2-CD1 4.42Å; I12-L60 HydrophobicContact CD1-CB 4.49Å; I12-L60 HydrophobicContact CD1-CD1 4.29Å; I12-L60 HydrophobicContact CD1-CD2 3.93Å; I12-L60 HydrophobicContact CD1-CG 4.47Å; I12-Q61 PolarHBondContact N-O 3.16Å; I12-I62 HydrophobicContact CB-CG1 4.49Å; I12-I62 CarbonylContact O-C 3.37Å; I12-I62 VanDerWaalsContact O-CA 3.32Å; I12-I62 WeakPolarHBondContact O-CA 3.4Å; I12-W63 PolarHBondContact O-N 2.87Å; I12-A84 WeakPolarHBondContact CA-O 3.33Å; I12-I86 HydrophobicContact CG2-CD1 3.54Å; I12-I86 HydrophobicContact CG2-CG1 3.83Å; I12-F163 HydrophobicContact CD1-CD1 4.31Å; I12-L166 HydrophobicContact CD1-CD2 4.06Å; I12-L166 HydrophobicContact CG1-CD2 4.36Å; I12-L166 HydrophobicContact CG2-CD2 4.22Å
13	V	96.4	Very high	91.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.2	175.6	-171.8	0	0	0	0	109	I15 W63 T65 A82 A84 L85 I86	V13-I15 HydrophobicContact CG1-CG2 4.06Å; V13-W63 HydrophobicContact CB-CB 4.43Å; V13-W63 HydrophobicContact CG1-CB 4.12Å; V13-W63 HydrophobicContact CG2-CB 4.18Å; V13-W63 HydrophobicContact CG2-CE3 4.37Å; V13-T65 HydrophobicContact CG1-CG2 3.49Å; V13-T65 VanDerWaalsContact CG1-CG2 3.49Å; V13-A82 HydrophobicContact CG2-CB 3.8Å; V13-A84 PolarHBondContact N-O 3.19Å; V13-L85 HydrophobicContact CB-CD2 3.61Å; V13-L85 HydrophobicContact CG1-CD2 4.43Å; V13-L85 HydrophobicContact CG2-CD2 4.12Å; V13-L85 WeakPolarHBondContact O-CA 3.43Å; V13-I86 PolarHBondContact O-N 3.37Å
14	L	96.7	Very high	93.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.5	171.9	-76.8	77.9	0	0	0	109.4	I12 K22 L25 V26 I62 W63 T65 I86 F163	I12-L14 HydrophobicContact CG2-CD1 4.42Å; L14-K22 HydrophobicContact CB-CB 4.14Å; L14-K22 HydrophobicContact CB-CD 4.16Å; L14-K22 HydrophobicContact CB-CG 4.36Å; L14-K22 HydrophobicContact CD2-CB 3.96Å; L14-L25 HydrophobicContact CD2-CB 4.23Å; L14-V26 HydrophobicContact CD1-CG2 3.49Å; L14-V26 VanDerWaalsContact CD1-CG2 3.49Å; L14-V26 HydrophobicContact CD2-CG2 3.49Å; L14-V26 VanDerWaalsContact CD2-CG2 3.49Å; L14-V26 HydrophobicContact CG-CG2 4.05Å; L14-I62 HydrophobicContact CD1-CG2 3.52Å; L14-W63 PolarHBondContact N-O 3.46Å; L14-T65 WeakPolarHBondContact O-CB 3.42Å; L14-T65 WeakPolarHBondContact O-CG2 3.23Å; L14-T65 PolarHBondContact O-OG1 3.36Å; L14-I86 WeakPolarHBondContact CA-O 3.49Å; L14-I86 HydrophobicContact CD1-CD1 4.18Å; L14-I86 HydrophobicContact CG-CB 4.04Å; L14-I86 HydrophobicContact CG-CD1 4.33Å; L14-I86 HydrophobicContact CG-CG2 4.3Å; L14-F163 HydrophobicContact CD1-CE1 4.37Å; L14-F163 HydrophobicContact CD1-CZ 4.42Å
15	I	95.4	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	164.6	179.6	61.8	171.6	0	0	0	110.9	V13 K22 T75 Y79 L85 I86 L87 T88 W103 I107	V13-I15 HydrophobicContact CG1-CG2 4.06Å; I15-K22 VanDerWaalsContact C-CD 3.44Å; I15-K22 WeakPolarHBondContact O-CD 3.39Å; I15-T75 HydrophobicContact CG2-CG2 4.3Å; I15-Y79 HydrophobicContact CG2-CE1 3.6Å; I15-L85 HydrophobicContact CD1-CB 4.4Å; I15-L85 HydrophobicContact CD1-CD1 4.32Å; I15-I86 PolarHBondContact N-O 2.92Å; I15-L87 HydrophobicContact CD1-CB 4.43Å; I15-L87 HydrophobicContact CD1-CD1 3.99Å; I15-L87 HydrophobicContact CG1-CB 4.24Å; I15-L87 HydrophobicContact CG1-CD1 3.84Å; I15-T88 PolarHBondContact O-N 3.45Å; I15-W103 HydrophobicContact CB-CE3 4.2Å; I15-W103 HydrophobicContact CB-CZ3 4.19Å; I15-W103 HydrophobicContact CD1-CE3 4.38Å; I15-I107 HydrophobicContact CD1-CD1 3.49Å; I15-I107 VanDerWaalsContact CD1-CD1 3.49Å; I15-I107 HydrophobicContact CD1-CG1 3.77Å
16	G	95.4	Very high	95.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.			trans	131.4	170.6	-174.8	0	0	0	0	0	112.4	K22 G67 T88 W103	G16-K22 PolarHBondContact O-NZ 2.85Å; G16-G67 WeakPolarHBondContact O-CA 3.35Å; G16-T88 WeakPolarHBondContact CA-O 3.17Å; G16-W103 WeakPolarHBondContact O-CZ2 3.38Å
17	N	94.4	Very high	95.9	Very high	33 Å²	33	25.5 Å²	25.5	18%	0.176	15%	0.151	C	C	.	.	S	Bend	trans	-58.9	163.3	-173.5	-75.9	25	0	0	0	113.6	V20 K22 G67 C99 W103	N17-V20 HydrophobicContact CB-CG1 3.91Å; N17-V20 VanDerWaalsContact O-CG2 3.25Å; N17-V20 WeakPolarHBondContact O-CG2 3.46Å; N17-K22 PolarHBondContact O-NZ 3.23Å; N17-G67 CarbonylContact C-O 3.57Å; N17-C99 PolarHBondContact ND2-SG 3.04Å; N17-C99 WeakPolarHBondContact OD1-CB 3.37Å; N17-W103 PolarHBondContact OD1-NE1 3.28Å
18	A	93.1	Very high	96	Very high	53 Å²	53	23.5 Å²	23.5	44%	0.438	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	141.8	171.6	0	0	0	0	0	110.4	V20 G67 Q68	A18-V20 VanDerWaalsContact C-N 3.29Å; A18-V20 PolarHBondContact O-N 3.27Å; A18-G67 PolarHBondContact N-O 2.93Å; A18-Q68 HydrophobicContact CB-CG 3.92Å
19	G	94	Very high	96.1	Very high	60 Å²	60	22 Å²	22	62%	0.619	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-4.1	175	0	0	0	0	0	116.4	G21 K123	G19-G21 PolarHBondContact O-N 2.9Å; G19-K123 WeakPolarHBondContact O-CE 3.09Å; G19-K123 PolarHBondContact O-NZ 3.05Å
20	V	96.8	Very high	96	Very high	2 Å²	2	21 Å²	21	1%	0.012	13%	0.126	C	C	.	.	S	Bend	trans	-70.2	-14.7	178.7	-55.3	0	0	0	0	113.9	N17 A18 K22 T88 D90 N122	N17-V20 HydrophobicContact CB-CG1 3.91Å; N17-V20 VanDerWaalsContact O-CG2 3.25Å; N17-V20 WeakPolarHBondContact O-CG2 3.46Å; A18-V20 VanDerWaalsContact C-N 3.29Å; A18-V20 PolarHBondContact O-N 3.27Å; V20-K22 HydrophobicContact CG2-CD 4.33Å; V20-K22 HydrophobicContact CG2-CG 3.7Å; V20-T88 HydrophobicContact CB-CG2 4.4Å; V20-T88 HydrophobicContact CG2-CG2 3.91Å; V20-D90 HydrophobicContact CB-CB 4.27Å; V20-D90 HydrophobicContact CG1-CB 4.19Å; V20-N122 PolarHBondContact O-ND2 2.81Å
21	G	96.4	Very high	95.8	Very high	14 Å²	14	24.8 Å²	24.8	14%	0.144	14%	0.144	C	C	.	.	S	Bend	trans	101.5	21.6	172.5	0	0	0	0	0	116.2	G19 T23 C24 L25	G19-G21 PolarHBondContact O-N 2.9Å; G21-T23 PolarHBondContact O-N 3.37Å; G21-C24 WeakPolarHBondContact O-CB 3.4Å; G21-C24 PolarHBondContact O-N 3.47Å; G21-C24 VanDerWaalsContact O-N 3.15Å; G21-L25 PolarHBondContact O-N 3.3Å
22	K	96.4	Very high	95.5	Very high	9 Å²	9	24 Å²	24	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-51.7	-53.9	176.2	-57.2	-172.4	-59.7	-76.8	0	112.9	L14 I15 G16 N17 V20 C24 L25 V26 D64 T65 G67	L14-K22 HydrophobicContact CB-CB 4.14Å; L14-K22 HydrophobicContact CB-CD 4.16Å; L14-K22 HydrophobicContact CB-CG 4.36Å; L14-K22 HydrophobicContact CD2-CB 3.96Å; I15-K22 VanDerWaalsContact C-CD 3.44Å; I15-K22 WeakPolarHBondContact O-CD 3.39Å; G16-K22 PolarHBondContact O-NZ 2.85Å; N17-K22 PolarHBondContact O-NZ 3.23Å; V20-K22 HydrophobicContact CG2-CD 4.33Å; V20-K22 HydrophobicContact CG2-CG 3.7Å; K22-C24 VanDerWaalsContact C-N 3.27Å; K22-C24 PolarHBondContact O-N 3.42Å; K22-L25 WeakPolarHBondContact O-CB 3.48Å; K22-L25 PolarHBondContact O-N 3.22Å; K22-V26 PolarHBondContact O-N 3.41Å; K22-D64 VanDerWaalsContact CB-OD1 3.29Å; K22-D64 WeakPolarHBondContact CB-OD1 3.34Å; K22-T65 WeakPolarHBondContact CE-O 3.47Å; K22-G67 VanDerWaalsContact NZ-CA 3.33Å
23	T	95.7	Very high	95.1	Very high	12 Å²	12	29.2 Å²	29.2	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-40.3	177.1	-44.5	0	0	0	0	112.6	G21 V26 R27 Q38 T41 D64	G21-T23 PolarHBondContact O-N 3.37Å; T23-V26 PolarHBondContact O-N 3.08Å; T23-R27 HydrophobicContact CG2-CG 4.46Å; T23-R27 WeakPolarHBondContact O-CB 3.29Å; T23-R27 WeakPolarHBondContact O-CG 3.36Å; T23-R27 PolarHBondContact O-N 2.84Å; T23-Q38 HydrophobicContact CG2-CG 4.03Å; T23-T41 PolarHBondContact OG1-OG1 3.29Å; T23-D64 VanDerWaalsContact CA-OD2 3.28Å; T23-D64 WeakPolarHBondContact CA-OD2 3.29Å; T23-D64 WeakPolarHBondContact CB-OD2 3.42Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.31Å; T23-D64 PolarHBondContact N-OD1 2.86Å; T23-D64 PolarHBondContact OG1-OD2 2.95Å
24	C	96.6	Very high	94.7	Very high	15 Å²	15	32.7 Å²	32.7	10%	0.101	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-39	177.9	-60.3	0	0	0	0	111.4	G21 K22 R28 F34 A153	G21-C24 WeakPolarHBondContact O-CB 3.4Å; G21-C24 PolarHBondContact O-N 3.47Å; G21-C24 VanDerWaalsContact O-N 3.15Å; K22-C24 VanDerWaalsContact C-N 3.27Å; K22-C24 PolarHBondContact O-N 3.42Å; C24-R28 WeakPolarHBondContact O-CB 3.17Å; C24-R28 PolarHBondContact O-N 3.48Å; C24-F34 HydrophobicContact CB-CD2 4.07Å; C24-F34 HydrophobicContact CB-CE2 3.92Å; C24-A153 HydrophobicContact CB-CB 3.65Å
25	L	97.6	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-49.1	174	-73.7	169.8	0	0	0	111.5	L14 G21 K22 R27 R28 F29 T88 V120 N122 A153 V159	L14-L25 HydrophobicContact CD2-CB 4.23Å; G21-L25 PolarHBondContact O-N 3.3Å; K22-L25 WeakPolarHBondContact O-CB 3.48Å; K22-L25 PolarHBondContact O-N 3.22Å; L25-R27 PolarHBondContact O-N 3.32Å; L25-R28 PolarHBondContact O-N 2.95Å; L25-F29 WeakPolarHBondContact O-CB 3.26Å; L25-F29 PolarHBondContact O-N 3.45Å; L25-T88 HydrophobicContact CD1-CG2 3.94Å; L25-V120 HydrophobicContact CD1-CG1 4.17Å; L25-N122 HydrophobicContact CD1-CB 4.42Å; L25-A153 HydrophobicContact CD2-CB 3.88Å; L25-A153 HydrophobicContact CG-CB 4.1Å; L25-V159 HydrophobicContact CD2-CG1 4.35Å; L25-V159 HydrophobicContact CD2-CG2 3.85Å
26	V	96.6	Very high	93.2	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-47.5	179.1	178.3	0	0	0	0	111	L14 K22 T23 F29 T30 M47 I62 D64	L14-V26 HydrophobicContact CD1-CG2 3.49Å; L14-V26 VanDerWaalsContact CD1-CG2 3.49Å; L14-V26 HydrophobicContact CD2-CG2 3.49Å; L14-V26 VanDerWaalsContact CD2-CG2 3.49Å; L14-V26 HydrophobicContact CG-CG2 4.05Å; K22-V26 PolarHBondContact O-N 3.41Å; T23-V26 PolarHBondContact O-N 3.08Å; V26-F29 PolarHBondContact O-N 3.47Å; V26-T30 HydrophobicContact CG1-CG2 4.18Å; V26-T30 WeakPolarHBondContact O-CB 3.26Å; V26-T30 VanDerWaalsContact O-CG2 3.27Å; V26-T30 WeakPolarHBondContact O-CG2 3.3Å; V26-T30 PolarHBondContact O-N 3.4Å; V26-T30 PolarHBondContact O-OG1 3.12Å; V26-M47 HydrophobicContact CG1-CB 3.99Å; V26-M47 HydrophobicContact CG1-CG 3.78Å; V26-I62 HydrophobicContact CG1-CG2 3.96Å; V26-I62 HydrophobicContact CG2-CG2 3.8Å; V26-D64 HydrophobicContact CG2-CB 4.16Å
27	R	94.9	Very high	92.4	Very high	81 Å²	81	43.4 Å²	43.4	31%	0.306	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-40.1	178.7	-74.8	-177.3	167.8	-162.1	-11	112.3	T23 L25 F29 T30 Q31 G32 L33	T23-R27 HydrophobicContact CG2-CG 4.46Å; T23-R27 WeakPolarHBondContact O-CB 3.29Å; T23-R27 WeakPolarHBondContact O-CG 3.36Å; T23-R27 PolarHBondContact O-N 2.84Å; L25-R27 PolarHBondContact O-N 3.32Å; R27-F29 VanDerWaalsContact C-N 3.33Å; R27-F29 PolarHBondContact O-N 3.07Å; R27-T30 PolarHBondContact O-N 2.93Å; R27-Q31 WeakPolarHBondContact O-CA 3.3Å; R27-Q31 WeakPolarHBondContact O-CB 3.48Å; R27-Q31 PolarHBondContact O-N 3.19Å; R27-G32 PolarHBondContact O-N 3.35Å; R27-L33 CarbonylContact C-O 3.48Å
28	R	96.5	Very high	92	Very high	48 Å²	48	44.8 Å²	44.8	18%	0.181	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-44.8	175.7	177.5	58.9	76.2	177.3	19.1	111	C24 L25 G32 L33 A153 K154 S156 V159	C24-R28 WeakPolarHBondContact O-CB 3.17Å; C24-R28 PolarHBondContact O-N 3.48Å; L25-R28 PolarHBondContact O-N 2.95Å; R28-G32 PolarHBondContact NH1-O 3.09Å; R28-G32 WeakPolarHBondContact O-CA 3.32Å; R28-G32 PolarHBondContact O-N 3.48Å; R28-L33 WeakPolarHBondContact CA-O 3.21Å; R28-L33 PolarHBondContact N-O 3.35Å; R28-A153 PolarHBondContact NE-O 2.72Å; R28-K154 PolarHBondContact NH2-O 2.81Å; R28-S156 VanDerWaalsContact CD-OG 3.29Å; R28-S156 WeakPolarHBondContact CD-OG 3.49Å; R28-S156 PolarHBondContact NE-OG 2.86Å; R28-V159 HydrophobicContact CB-CG1 4.14Å; R28-V159 HydrophobicContact CG-CB 4.21Å; R28-V159 HydrophobicContact CG-CG1 3.88Å; R28-V159 HydrophobicContact CG-CG2 4.1Å
29	F	97.1	Very high	91.5	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-44.5	177.6	176.9	-118.1	0	0	0	113	L25 V26 R27 K49 V51 L60 I62 V159 F163	L25-F29 WeakPolarHBondContact O-CB 3.26Å; L25-F29 PolarHBondContact O-N 3.45Å; V26-F29 PolarHBondContact O-N 3.47Å; R27-F29 VanDerWaalsContact C-N 3.33Å; R27-F29 PolarHBondContact O-N 3.07Å; F29-K49 HydrophobicContact CD1-CD 4.04Å; F29-K49 HydrophobicContact CD2-CD 4.43Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.65Å; F29-K49 HydrophobicContact CE1-CG 4.35Å; F29-K49 HydrophobicContact CE2-CD 4.06Å; F29-K49 HydrophobicContact CG-CD 4.43Å; F29-K49 HydrophobicContact CZ-CD 3.66Å; F29-K49 HydrophobicContact CZ-CG 4.49Å; F29-K49 WeakPolarHBondContact O-CD 3.43Å; F29-K49 PolarHBondContact O-NZ 2.87Å; F29-V51 HydrophobicContact CZ-CG1 3.94Å; F29-L60 HydrophobicContact CE1-CD1 3.94Å; F29-L60 HydrophobicContact CZ-CD1 3.94Å; F29-I62 HydrophobicContact CD1-CD1 3.75Å; F29-I62 HydrophobicContact CE1-CD1 3.78Å; F29-V159 HydrophobicContact CB-CG1 3.97Å; F29-F163 HydrophobicContact CB-CD2 3.65Å; F29-F163 HydrophobicContact CB-CE2 3.52Å; F29-F163 HydrophobicContact CB-CZ 4.29Å; F29-F163 HydrophobicContact CD1-CB 4.12Å; F29-F163 AromaticContact CD1-CD1 3.9Å; F29-F163 HydrophobicContact CD1-CD1 3.9Å; F29-F163 AromaticContact CD1-CD2 3.61Å; F29-F163 HydrophobicContact CD1-CD2 3.61Å; F29-F163 HydrophobicContact CD1-CE1 4.19Å; F29-F163 AromaticContact CD1-CE2 3.95Å; F29-F163 HydrophobicContact CD1-CE2 3.95Å; F29-F163 AromaticContact CD1-CG 3.6Å; F29-F163 HydrophobicContact CD1-CG 3.6Å; F29-F163 HydrophobicContact CD1-CZ 4.22Å; F29-F163 HydrophobicContact CD2-CB 3.95Å; F29-F163 AromaticContact CD2-CD2 3.57Å; F29-F163 HydrophobicContact CD2-CD2 3.57Å; F29-F163 HydrophobicContact CD2-CE2 4.35Å; F29-F163 AromaticContact CD2-CG 3.95Å; F29-F163 HydrophobicContact CD2-CG 3.95Å; F29-F163 HydrophobicContact CE1-CB 3.7Å; F29-F163 AromaticContact CE1-CD1 3.9Å; F29-F163 HydrophobicContact CE1-CD1 3.9Å; F29-F163 HydrophobicContact CE1-CD2 4.1Å; F29-F163 AromaticContact CE1-CG 3.64Å; F29-F163 HydrophobicContact CE1-CG 3.64Å; F29-F163 HydrophobicContact CE2-CB 3.52Å; F29-F163 HydrophobicContact CE2-CD2 4.08Å; F29-F163 AromaticContact CE2-CG 4Å; F29-F163 HydrophobicContact CE2-CG 4Å; F29-F163 HydrophobicContact CG-CB 4.23Å; F29-F163 HydrophobicContact CG-CD1 4.45Å; F29-F163 AromaticContact CG-CD2 3.31Å; F29-F163 HydrophobicContact CG-CD2 3.31Å; F29-F163 AromaticContact CG-CE2 3.69Å; F29-F163 HydrophobicContact CG-CE2 3.69Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.4Å; F29-F163 HydrophobicContact CZ-CB 3.37Å; F29-F163 HydrophobicContact CZ-CD1 4.47Å; F29-F163 HydrophobicContact CZ-CD2 4.31Å; F29-F163 AromaticContact CZ-CG 3.83Å; F29-F163 HydrophobicContact CZ-CG 3.83Å
30	T	94.9	Very high	91.1	Very high	29 Å²	29	45 Å²	45	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-83.6	-33.3	-171.4	55.8	0	0	0	0	113.9	V26 R27 M47 K49 I62	V26-T30 HydrophobicContact CG1-CG2 4.18Å; V26-T30 WeakPolarHBondContact O-CB 3.26Å; V26-T30 VanDerWaalsContact O-CG2 3.27Å; V26-T30 WeakPolarHBondContact O-CG2 3.3Å; V26-T30 PolarHBondContact O-N 3.4Å; V26-T30 PolarHBondContact O-OG1 3.12Å; R27-T30 PolarHBondContact O-N 2.93Å; T30-M47 HydrophobicContact CG2-CB 4Å; T30-K49 HydrophobicContact CG2-CB 4.26Å; T30-I62 HydrophobicContact CG2-CD1 4.1Å
31	Q	92.9	Very high	90.4	Very high	92 Å²	92	45.7 Å²	45.7	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-118.5	-9.5	-172.2	-58.5	169.4	5.8	0	0	112.6	R27 L33	R27-Q31 WeakPolarHBondContact O-CA 3.3Å; R27-Q31 WeakPolarHBondContact O-CB 3.48Å; R27-Q31 PolarHBondContact O-N 3.19Å; Q31-L33 HydrophobicContact CB-CB 4.46Å; Q31-L33 HydrophobicContact CB-CG 4.5Å; Q31-L33 PolarHBondContact O-N 2.95Å
32	G	90.9	Very high	89.7	Confident	45 Å²	45	51.7 Å²	51.7	46%	0.464	32%	0.318	S	S	.	.	S	Bend	trans	69.8	13.9	-175.1	0	0	0	0	0	113.4	R27 R28	R27-G32 PolarHBondContact O-N 3.35Å; R28-G32 PolarHBondContact NH1-O 3.09Å; R28-G32 WeakPolarHBondContact O-CA 3.32Å; R28-G32 PolarHBondContact O-N 3.48Å
33	L	87.5	Confident	89	Confident	109 Å²	109	51.9 Å²	51.9	57%	0.571	32%	0.323	S	S	*	.			trans	-119	141.5	-174.2	-64.2	174.4	0	0	0	111.7	R27 R28 Q31	R27-L33 CarbonylContact C-O 3.48Å; R28-L33 WeakPolarHBondContact CA-O 3.21Å; R28-L33 PolarHBondContact N-O 3.35Å; Q31-L33 HydrophobicContact CB-CB 4.46Å; Q31-L33 HydrophobicContact CB-CG 4.5Å; Q31-L33 PolarHBondContact O-N 2.95Å
34	F	89.4	Confident	88.5	Confident	74 Å²	74	52.9 Å²	52.9	33%	0.325	33%	0.329	S	S	.	.			trans	-101.6	111.7	164.2	177.5	-97.6	0	0	0	108.9	C24 P36 A153 K154	C24-F34 HydrophobicContact CB-CD2 4.07Å; C24-F34 HydrophobicContact CB-CE2 3.92Å; F34-P36 WeakPolarHBondContact O-CD 3.37Å; F34-A153 HydrophobicContact CD2-CB 4.31Å; F34-A153 WeakPolarHBondContact CD2-O 3.49Å; F34-A153 HydrophobicContact CE2-CB 4.41Å; F34-K154 HydrophobicContact CD1-CG 4.22Å; F34-K154 HydrophobicContact CD2-CB 4.11Å; F34-K154 HydrophobicContact CE1-CB 4.48Å; F34-K154 HydrophobicContact CE1-CG 4.06Å; F34-K154 HydrophobicContact CE2-CB 3.91Å; F34-K154 HydrophobicContact CE2-CG 4.37Å; F34-K154 HydrophobicContact CG-CB 4.46Å; F34-K154 HydrophobicContact CG-CG 4.44Å; F34-K154 HydrophobicContact CZ-CB 4.11Å; F34-K154 HydrophobicContact CZ-CG 4.13Å
35	P	80.8	Confident	88.2	Confident	24 Å²	24	55.8 Å²	55.8	16%	0.156	34%	0.343	C	S	.	.			trans	-75.6	109.7	179.7	27.6	-32	0	0	0	110.7	G37 Q38	P35-G37 PolarHBondContact O-N 3.03Å; P35-Q38 HydrophobicContact CG-CB 4.11Å; P35-Q38 HydrophobicContact CG-CG 4.33Å; P35-Q38 VanDerWaalsContact CG-OE1 3.24Å; P35-Q38 PolarHBondContact O-N 2.99Å
36	P	78.8	Confident	88	Confident	117 Å²	117	59.9 Å²	59.9	76%	0.76	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	136.9	173.8	28.9	-33.9	0	0	0	109.5	F34	F34-P36 WeakPolarHBondContact O-CD 3.37Å
37	G	79.4	Confident	87.9	Confident	85 Å²	85	62.4 Å²	62.4	88%	0.876	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	26.1	179.4	0	0	0	0	0	114.6	P35 G39	P35-G37 PolarHBondContact O-N 3.03Å; G37-G39 PolarHBondContact O-N 2.9Å; G37-G39 VanDerWaalsContact O-N 3.08Å
38	Q	84.9	Confident	87.9	Confident	62 Å²	62	62.1 Å²	62.1	29%	0.29	38%	0.377	S	S	.	.			trans	-51.5	115.8	174	-176.5	57.9	55.7	0	0	111.3	T23 P35	T23-Q38 HydrophobicContact CG2-CG 4.03Å; P35-Q38 HydrophobicContact CG-CB 4.11Å; P35-Q38 HydrophobicContact CG-CG 4.33Å; P35-Q38 VanDerWaalsContact CG-OE1 3.24Å; P35-Q38 PolarHBondContact O-N 2.99Å
39	G	84.1	Confident	87.9	Confident	49 Å²	49	62.1 Å²	62.1	51%	0.505	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-73.8	169.7	175.1	0	0	0	0	0	112.6	G37 T41	G37-G39 PolarHBondContact O-N 2.9Å; G37-G39 VanDerWaalsContact O-N 3.08Å; G39-T41 PolarHBondContact O-N 3.49Å
40	A	86.1	Confident	87.8	Confident	67 Å²	67	65 Å²	65	55%	0.554	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-62.9	133.3	175.4	0	0	0	0	0	111.2	I42	A40-I42 PolarHBondContact O-N 2.8Å
41	T	81.8	Confident	87.9	Confident	17 Å²	17	64.3 Å²	64.3	10%	0.104	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-62.9	132.5	172.6	-42	0	0	0	0	110	T23 G39 D64 A66	T23-T41 PolarHBondContact OG1-OG1 3.29Å; G39-T41 PolarHBondContact O-N 3.49Å; T41-D64 PolarHBondContact OG1-OD2 3.46Å; T41-A66 VanDerWaalsContact O-CB 3.3Å; T41-A66 WeakPolarHBondContact O-CB 3.5Å
42	I	81.5	Confident	88	Confident	140 Å²	140	66.5 Å²	66.5	72%	0.718	40%	0.403	S	S	*	.			trans	-103.2	115.7	173.3	-59.8	176.5	0	0	0	107	A40 F71	A40-I42 PolarHBondContact O-N 2.8Å; I42-F71 HydrophobicContact CG2-CZ 4.18Å
43	G	81.1	Confident	88.1	Confident	14 Å²	14	65.1 Å²	65.1	14%	0.144	39%	0.385	C	S	.	.	S	Bend	trans	73.2	-125.1	-176.8	0	0	0	0	0	112.6	A66	G43-A66 VanDerWaalsContact O-CB 3.25Å; G43-A66 WeakPolarHBondContact O-CB 3.37Å; G43-A66 PolarHBondContact O-N 3.21Å
44	V	86	Confident	88.3	Confident	33 Å²	33	67 Å²	67	20%	0.2	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127.9	-175.3	-179	0	0	0	0	109.6	W63 D64 T65 I74 Y78	V44-W63 HydrophobicContact CG1-CB 4.03Å; V44-W63 HydrophobicContact CG1-CG 4.27Å; V44-D64 CarbonylContact C-O 3.57Å; V44-D64 WeakPolarHBondContact CA-O 3.46Å; V44-D64 WeakPolarHBondContact CG1-O 3.44Å; V44-T65 HydrophobicContact CG1-CG2 4.38Å; V44-T65 HydrophobicContact CG2-CG2 4.3Å; V44-I74 HydrophobicContact CG2-CG2 4.11Å; V44-Y78 HydrophobicContact CB-CE2 4.19Å; V44-Y78 HydrophobicContact CG1-CE1 4.29Å; V44-Y78 HydrophobicContact CG1-CE2 4.32Å; V44-Y78 HydrophobicContact CG2-CD2 4.09Å; V44-Y78 HydrophobicContact CG2-CE2 3.63Å
45	D	90.1	Very high	88.3	Confident	75 Å²	75	66 Å²	66	40%	0.401	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	147.4	172.6	-83.2	-25	0	0	0	110.2	W63 D64	D45-W63 CarbonylContact O-C 3.55Å; D45-W63 WeakPolarHBondContact O-CA 3.39Å; D45-D64 HydrophobicContact CB-CB 4.25Å; D45-D64 PolarHBondContact N-O 3.33Å; D45-D64 PolarHBondContact O-N 3.49Å
46	F	92.3	Very high	88.9	Confident	87 Å²	87	67.3 Å²	67.3	38%	0.382	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.8	-176.2	176.7	-109.5	0	0	0	111.4	I48 Q61 W63	F46-I48 HydrophobicContact CD1-CG1 4.5Å; F46-I48 HydrophobicContact CE1-CD1 3.6Å; F46-I48 HydrophobicContact CE1-CG1 3.54Å; F46-I48 HydrophobicContact CE2-CG1 4.41Å; F46-I48 HydrophobicContact CZ-CD1 3.72Å; F46-I48 HydrophobicContact CZ-CG1 3.49Å; F46-I48 VanDerWaalsContact CZ-CG1 3.49Å; F46-Q61 HydrophobicContact CE2-CB 3.8Å; F46-Q61 HydrophobicContact CE2-CG 4.16Å; F46-Q61 HydrophobicContact CZ-CB 4.1Å; F46-Q61 HydrophobicContact CZ-CG 3.93Å; F46-W63 AromaticContact CD2-CD2 3.87Å; F46-W63 HydrophobicContact CD2-CD2 3.87Å; F46-W63 AromaticContact CD2-CE2 3.52Å; F46-W63 HydrophobicContact CD2-CE3 4.43Å; F46-W63 HydrophobicContact CD2-CG 4.2Å; F46-W63 HydrophobicContact CD2-CH2 4.42Å; F46-W63 AromaticContact CD2-CZ2 3.85Å; F46-W63 HydrophobicContact CD2-CZ2 3.85Å; F46-W63 AromaticContact CD2-NE1 3.6Å; F46-W63 HydrophobicContact CE2-CD2 4.13Å; F46-W63 AromaticContact CE2-CE2 3.69Å; F46-W63 HydrophobicContact CE2-CE3 4.31Å; F46-W63 AromaticContact CE2-CH2 3.76Å; F46-W63 HydrophobicContact CE2-CH2 3.76Å; F46-W63 AromaticContact CE2-CZ2 3.52Å; F46-W63 HydrophobicContact CE2-CZ2 3.52Å; F46-W63 HydrophobicContact CE2-CZ3 4.13Å; F46-W63 HydrophobicContact CZ-CZ2 4.47Å
47	M	94.4	Very high	89.8	Confident	56 Å²	56	66.8 Å²	66.8	28%	0.276	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.4	178.4	-61.2	-58.6	-64.6	0	0	111.1	V26 T30 I62	V26-M47 HydrophobicContact CG1-CB 3.99Å; V26-M47 HydrophobicContact CG1-CG 3.78Å; T30-M47 HydrophobicContact CG2-CB 4Å; M47-I62 PolarHBondContact N-O 3.47Å; M47-I62 PolarHBondContact O-N 2.95Å
48	I	95.5	Very high	90.6	Very high	74 Å²	74	62.7 Å²	62.7	38%	0.379	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136	174.1	-61.7	179	0	0	0	108.9	F46 K59 L60 Q61	F46-I48 HydrophobicContact CD1-CG1 4.5Å; F46-I48 HydrophobicContact CE1-CD1 3.6Å; F46-I48 HydrophobicContact CE1-CG1 3.54Å; F46-I48 HydrophobicContact CE2-CG1 4.41Å; F46-I48 HydrophobicContact CZ-CD1 3.72Å; F46-I48 HydrophobicContact CZ-CG1 3.49Å; F46-I48 VanDerWaalsContact CZ-CG1 3.49Å; I48-K59 HydrophobicContact CG2-CD 4.49Å; I48-K59 HydrophobicContact CG2-CG 4Å; I48-L60 VanDerWaalsContact CA-O 3.31Å; I48-L60 WeakPolarHBondContact CA-O 3.4Å; I48-Q61 HydrophobicContact CG1-CG 4.42Å
49	K	95.9	Very high	91.2	Very high	49 Å²	49	62.3 Å²	62.3	21%	0.213	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	130.1	165	-174.4	174.2	177.8	-171.6	0	109.3	F29 T30 V51 L60 E160	F29-K49 HydrophobicContact CD1-CD 4.04Å; F29-K49 HydrophobicContact CD2-CD 4.43Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.65Å; F29-K49 HydrophobicContact CE1-CG 4.35Å; F29-K49 HydrophobicContact CE2-CD 4.06Å; F29-K49 HydrophobicContact CG-CD 4.43Å; F29-K49 HydrophobicContact CZ-CD 3.66Å; F29-K49 HydrophobicContact CZ-CG 4.49Å; F29-K49 WeakPolarHBondContact O-CD 3.43Å; F29-K49 PolarHBondContact O-NZ 2.87Å; T30-K49 HydrophobicContact CG2-CB 4.26Å; K49-V51 HydrophobicContact CD-CG1 4.2Å; K49-V51 HydrophobicContact CG-CG1 4.08Å; K49-L60 PolarHBondContact N-O 2.87Å; K49-L60 WeakPolarHBondContact O-CB 3.29Å; K49-L60 PolarHBondContact O-N 3.47Å; K49-E160 IonicContact NZ-OE1 3.55Å
50	T	96.3	Very high	91.8	Very high	67 Å²	67	60 Å²	60	41%	0.411	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.6	168.5	-54.6	0	0	0	0	108.1	V58	T50-V58 WeakPolarHBondContact CA-O 3.34Å
51	V	96	Very high	92.4	Very high	14 Å²	14	58.5 Å²	58.5	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.6	176.2	-63	0	0	0	0	109.4	F29 K49 I53 V58 L60 L164	F29-V51 HydrophobicContact CZ-CG1 3.94Å; K49-V51 HydrophobicContact CD-CG1 4.2Å; K49-V51 HydrophobicContact CG-CG1 4.08Å; V51-I53 HydrophobicContact CG2-CD1 3.97Å; V51-I53 HydrophobicContact CG2-CG1 4.12Å; V51-V58 HydrophobicContact CG2-CB 4.1Å; V51-V58 PolarHBondContact N-O 2.74Å; V51-V58 PolarHBondContact O-N 3.17Å; V51-L60 HydrophobicContact CG2-CD1 4.12Å; V51-L60 HydrophobicContact CG2-CG 4.36Å; V51-L164 HydrophobicContact CB-CD2 4.03Å; V51-L164 HydrophobicContact CG1-CD2 4.13Å; V51-L164 HydrophobicContact CG2-CD2 4.09Å
52	E	95.3	Very high	93.1	Very high	138 Å²	138	57.7 Å²	57.7	65%	0.645	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.8	174.5	-168.1	177.4	151.4	0	0	109.2	E56	E52-E56 WeakPolarHBondContact CA-O 3.45Å
53	I	93.8	Very high	93.7	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.087	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.9	-177.7	-58.6	176.6	0	0	0	108	V51 G55 E56 V58 L164 A167 C168 I171	V51-I53 HydrophobicContact CG2-CD1 3.97Å; V51-I53 HydrophobicContact CG2-CG1 4.12Å; I53-G55 PolarHBondContact O-N 2.95Å; I53-E56 PolarHBondContact N-O 2.85Å; I53-E56 WeakPolarHBondContact O-CB 3.38Å; I53-E56 PolarHBondContact O-N 3.47Å; I53-V58 HydrophobicContact CD1-CG2 4.43Å; I53-L164 HydrophobicContact CD1-CD2 4.28Å; I53-L164 HydrophobicContact CG1-CD2 4.33Å; I53-A167 HydrophobicContact CD1-CB 3.31Å; I53-C168 HydrophobicContact CG2-CB 4.35Å; I53-I171 HydrophobicContact CB-CD1 4.09Å; I53-I171 HydrophobicContact CD1-CD1 4.36Å; I53-I171 HydrophobicContact CG2-CD1 4.09Å
54	N	90.4	Very high	94.3	Very high	148 Å²	148	52.2 Å²	52.2	79%	0.791	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	37	-178.5	-57	-40.8	0	0	0	113.7	E56	N54-E56 VanDerWaalsContact C-N 3.31Å
55	G	90.8	Very high	94.5	Very high	52 Å²	52	50.7 Å²	50.7	54%	0.536	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-2.8	-178.1	0	0	0	0	0	115.2	I53	I53-G55 PolarHBondContact O-N 2.95Å
56	E	93.4	Very high	94.2	Very high	52 Å²	52	47.1 Å²	47.1	24%	0.243	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.4	177.1	-53.2	-83.4	155.9	0	0	110.2	D7 F8 E52 I53 N54 V58 R175	D7-E56 HydrophobicContact CB-CB 4.39Å; D7-E56 WeakPolarHBondContact CB-OE2 3.28Å; D7-E56 WeakPolarHBondContact OD2-CA 3.44Å; F8-E56 HydrophobicContact CD2-CB 4.47Å; F8-E56 HydrophobicContact CE2-CG 4.46Å; F8-E56 WeakPolarHBondContact CE2-OE2 3.24Å; E52-E56 WeakPolarHBondContact CA-O 3.45Å; I53-E56 PolarHBondContact N-O 2.85Å; I53-E56 WeakPolarHBondContact O-CB 3.38Å; I53-E56 PolarHBondContact O-N 3.47Å; N54-E56 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 2.96Å; E56-R175 IonicContact OE1-NH2 2.89Å; E56-R175 PolarHBondContact OE1-NH2 3.14Å; E56-R175 IonicContact OE2-NH2 3.6Å
57	K	95.8	Very high	93.5	Very high	106 Å²	106	43.5 Å²	43.5	46%	0.461	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	114	174.7	-69.2	-179.5	-177.6	176.4	0	110.1	D7 F8	D7-K57 PolarHBondContact N-O 2.92Å; D7-K57 PolarHBondContact OD2-N 2.81Å; F8-K57 PolarHBondContact N-O 3.42Å
58	V	97.3	Very high	92.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.5	-176.8	-179.3	0	0	0	0	109.8	F8 F10 T50 V51 I53 E56 L60 A167 I171	F8-V58 HydrophobicContact CB-CG1 4.25Å; F8-V58 HydrophobicContact CB-CG2 4.17Å; F8-V58 HydrophobicContact CD2-CG2 4.33Å; F8-V58 WeakPolarHBondContact O-CA 3.38Å; F10-V58 HydrophobicContact CD2-CG1 3.54Å; F10-V58 HydrophobicContact CE2-CG1 3.78Å; T50-V58 WeakPolarHBondContact CA-O 3.34Å; V51-V58 HydrophobicContact CG2-CB 4.1Å; V51-V58 PolarHBondContact N-O 2.74Å; V51-V58 PolarHBondContact O-N 3.17Å; I53-V58 HydrophobicContact CD1-CG2 4.43Å; E56-V58 PolarHBondContact O-N 2.96Å; V58-L60 HydrophobicContact CG1-CD2 3.7Å; V58-L60 HydrophobicContact CG1-CG 4.4Å; V58-A167 HydrophobicContact CG1-CB 4.38Å; V58-I171 HydrophobicContact CG2-CD1 3.56Å; V58-I171 HydrophobicContact CG2-CG1 4.09Å
59	K	97.3	Very high	91.2	Very high	54 Å²	54	45.2 Å²	45.2	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.1	176.2	-171.8	171.4	-174.4	172	0	110.5	Y6 F8 L9 F10 I48	Y6-K59 HydrophobicContact CD1-CB 4.08Å; Y6-K59 HydrophobicContact CD1-CD 3.59Å; Y6-K59 HydrophobicContact CD2-CB 4.26Å; Y6-K59 HydrophobicContact CE1-CD 3.64Å; Y6-K59 HydrophobicContact CG-CB 3.86Å; Y6-K59 HydrophobicContact CG-CD 4.23Å; F8-K59 PolarHBondContact O-N 3.28Å; L9-K59 WeakPolarHBondContact CA-O 3.48Å; L9-K59 HydrophobicContact CD1-CD 4.41Å; F10-K59 PolarHBondContact N-O 3.34Å; I48-K59 HydrophobicContact CG2-CD 4.49Å; I48-K59 HydrophobicContact CG2-CG 4Å
60	L	97.6	Very high	89.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.9	176.6	-55.3	-179.2	0	0	0	110	F10 I12 F29 I48 K49 V51 V58 I62 F163 A167	F10-L60 HydrophobicContact CB-CD2 4.12Å; F10-L60 HydrophobicContact CD2-CD2 4.27Å; I12-L60 HydrophobicContact CD1-CB 4.49Å; I12-L60 HydrophobicContact CD1-CD1 4.29Å; I12-L60 HydrophobicContact CD1-CD2 3.93Å; I12-L60 HydrophobicContact CD1-CG 4.47Å; F29-L60 HydrophobicContact CE1-CD1 3.94Å; F29-L60 HydrophobicContact CZ-CD1 3.94Å; I48-L60 VanDerWaalsContact CA-O 3.31Å; I48-L60 WeakPolarHBondContact CA-O 3.4Å; K49-L60 PolarHBondContact N-O 2.87Å; K49-L60 WeakPolarHBondContact O-CB 3.29Å; K49-L60 PolarHBondContact O-N 3.47Å; V51-L60 HydrophobicContact CG2-CD1 4.12Å; V51-L60 HydrophobicContact CG2-CG 4.36Å; V58-L60 HydrophobicContact CG1-CD2 3.7Å; V58-L60 HydrophobicContact CG1-CG 4.4Å; L60-I62 HydrophobicContact CB-CD1 4.29Å; L60-I62 HydrophobicContact CB-CG1 4.16Å; L60-F163 HydrophobicContact CD1-CB 4.44Å; L60-A167 HydrophobicContact CD2-CB 4.1Å
61	Q	97.1	Very high	88.6	Confident	36 Å²	36	50.4 Å²	50.4	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.9	169.6	-73.7	-167.1	-28.1	0	0	107.9	L9 F10 K11 I12 F46 I48 W63	L9-Q61 HydrophobicContact CD1-CG 4.49Å; L9-Q61 HydrophobicContact CG-CG 4.45Å; F10-Q61 PolarHBondContact O-N 3.29Å; K11-Q61 CarbonylContact C-O 3.39Å; K11-Q61 WeakPolarHBondContact CA-O 3.33Å; K11-Q61 HydrophobicContact CG-CB 4.36Å; I12-Q61 PolarHBondContact N-O 3.16Å; F46-Q61 HydrophobicContact CE2-CB 3.8Å; F46-Q61 HydrophobicContact CE2-CG 4.16Å; F46-Q61 HydrophobicContact CZ-CB 4.1Å; F46-Q61 HydrophobicContact CZ-CG 3.93Å; I48-Q61 HydrophobicContact CG1-CG 4.42Å; Q61-W63 HydrophobicContact CB-CE3 4.42Å; Q61-W63 HydrophobicContact CB-CH2 3.66Å; Q61-W63 HydrophobicContact CB-CZ3 3.47Å; Q61-W63 VanDerWaalsContact CB-CZ3 3.47Å; Q61-W63 HydrophobicContact CG-CH2 4.49Å; Q61-W63 VanDerWaalsContact O-CZ3 3.25Å; Q61-W63 WeakPolarHBondContact O-CZ3 3.27Å
62	I	97.1	Very high	87.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.9	-168.6	-53	171.4	0	0	0	109.3	I12 L14 V26 F29 T30 M47 L60 F163	I12-I62 HydrophobicContact CB-CG1 4.49Å; I12-I62 CarbonylContact O-C 3.37Å; I12-I62 VanDerWaalsContact O-CA 3.32Å; I12-I62 WeakPolarHBondContact O-CA 3.4Å; L14-I62 HydrophobicContact CD1-CG2 3.52Å; V26-I62 HydrophobicContact CG1-CG2 3.96Å; V26-I62 HydrophobicContact CG2-CG2 3.8Å; F29-I62 HydrophobicContact CD1-CD1 3.75Å; F29-I62 HydrophobicContact CE1-CD1 3.78Å; T30-I62 HydrophobicContact CG2-CD1 4.1Å; M47-I62 PolarHBondContact N-O 3.47Å; M47-I62 PolarHBondContact O-N 2.95Å; L60-I62 HydrophobicContact CB-CD1 4.29Å; L60-I62 HydrophobicContact CB-CG1 4.16Å; I62-F163 HydrophobicContact CD1-CD1 4.16Å; I62-F163 HydrophobicContact CD1-CE1 3.94Å; I62-F163 HydrophobicContact CG2-CE1 4.4Å
63	W	95.1	Very high	86.4	Confident	36 Å²	36	50 Å²	50	14%	0.136	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.8	173.3	-72	-94.7	0	0	0	109.9	K11 I12 V13 L14 V44 D45 F46 Q61 Y78	K11-W63 HydrophobicContact CB-CE3 4.4Å; K11-W63 HydrophobicContact CB-CH2 4.1Å; K11-W63 HydrophobicContact CB-CZ3 3.49Å; K11-W63 VanDerWaalsContact CB-CZ3 3.49Å; K11-W63 HydrophobicContact CD-CH2 3.87Å; K11-W63 HydrophobicContact CD-CZ3 4.13Å; K11-W63 HydrophobicContact CG-CH2 3.7Å; K11-W63 HydrophobicContact CG-CZ3 3.6Å; I12-W63 PolarHBondContact O-N 2.87Å; V13-W63 HydrophobicContact CB-CB 4.43Å; V13-W63 HydrophobicContact CG1-CB 4.12Å; V13-W63 HydrophobicContact CG2-CB 4.18Å; V13-W63 HydrophobicContact CG2-CE3 4.37Å; L14-W63 PolarHBondContact N-O 3.46Å; V44-W63 HydrophobicContact CG1-CB 4.03Å; V44-W63 HydrophobicContact CG1-CG 4.27Å; D45-W63 CarbonylContact O-C 3.55Å; D45-W63 WeakPolarHBondContact O-CA 3.39Å; F46-W63 AromaticContact CD2-CD2 3.87Å; F46-W63 HydrophobicContact CD2-CD2 3.87Å; F46-W63 AromaticContact CD2-CE2 3.52Å; F46-W63 HydrophobicContact CD2-CE3 4.43Å; F46-W63 HydrophobicContact CD2-CG 4.2Å; F46-W63 HydrophobicContact CD2-CH2 4.42Å; F46-W63 AromaticContact CD2-CZ2 3.85Å; F46-W63 HydrophobicContact CD2-CZ2 3.85Å; F46-W63 AromaticContact CD2-NE1 3.6Å; F46-W63 HydrophobicContact CE2-CD2 4.13Å; F46-W63 AromaticContact CE2-CE2 3.69Å; F46-W63 HydrophobicContact CE2-CE3 4.31Å; F46-W63 AromaticContact CE2-CH2 3.76Å; F46-W63 HydrophobicContact CE2-CH2 3.76Å; F46-W63 AromaticContact CE2-CZ2 3.52Å; F46-W63 HydrophobicContact CE2-CZ2 3.52Å; F46-W63 HydrophobicContact CE2-CZ3 4.13Å; F46-W63 HydrophobicContact CZ-CZ2 4.47Å; Q61-W63 HydrophobicContact CB-CE3 4.42Å; Q61-W63 HydrophobicContact CB-CH2 3.66Å; Q61-W63 HydrophobicContact CB-CZ3 3.47Å; Q61-W63 VanDerWaalsContact CB-CZ3 3.47Å; Q61-W63 HydrophobicContact CG-CH2 4.49Å; Q61-W63 VanDerWaalsContact O-CZ3 3.25Å; Q61-W63 WeakPolarHBondContact O-CZ3 3.27Å; W63-Y78 AromaticContact CD1-CD1 3.42Å; W63-Y78 VanDerWaalsContact CD1-CD1 3.42Å; W63-Y78 AromaticContact CD1-CE1 3.47Å; W63-Y78 VanDerWaalsContact CD1-CE1 3.47Å; W63-Y78 HydrophobicContact CD2-CD1 4.44Å; W63-Y78 AromaticContact CG-CD1 3.98Å; W63-Y78 HydrophobicContact CG-CD1 3.98Å; W63-Y78 HydrophobicContact CG-CE1 4.43Å; W63-Y78 AromaticContact NE1-CD1 3.55Å; W63-Y78 AromaticContact NE1-CE1 3.48Å
64	D	93.2	Very high	85.3	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.3	168.7	179.2	39.9	0	0	0	109.1	K22 T23 V26 T41 V44 D45	K22-D64 VanDerWaalsContact CB-OD1 3.29Å; K22-D64 WeakPolarHBondContact CB-OD1 3.34Å; T23-D64 VanDerWaalsContact CA-OD2 3.28Å; T23-D64 WeakPolarHBondContact CA-OD2 3.29Å; T23-D64 WeakPolarHBondContact CB-OD2 3.42Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.31Å; T23-D64 PolarHBondContact N-OD1 2.86Å; T23-D64 PolarHBondContact OG1-OD2 2.95Å; V26-D64 HydrophobicContact CG2-CB 4.16Å; T41-D64 PolarHBondContact OG1-OD2 3.46Å; V44-D64 CarbonylContact C-O 3.57Å; V44-D64 WeakPolarHBondContact CA-O 3.46Å; V44-D64 WeakPolarHBondContact CG1-O 3.44Å; D45-D64 HydrophobicContact CB-CB 4.25Å; D45-D64 PolarHBondContact N-O 3.33Å; D45-D64 PolarHBondContact O-N 3.49Å
65	T	89.8	Confident	84.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.5	-173.4	69.1	0	0	0	0	112	V13 L14 K22 V44 G67 T75	V13-T65 HydrophobicContact CG1-CG2 3.49Å; V13-T65 VanDerWaalsContact CG1-CG2 3.49Å; L14-T65 WeakPolarHBondContact O-CB 3.42Å; L14-T65 WeakPolarHBondContact O-CG2 3.23Å; L14-T65 PolarHBondContact O-OG1 3.36Å; K22-T65 WeakPolarHBondContact CE-O 3.47Å; V44-T65 HydrophobicContact CG1-CG2 4.38Å; V44-T65 HydrophobicContact CG2-CG2 4.3Å; T65-G67 PolarHBondContact O-N 3.49Å; T65-T75 HydrophobicContact CG2-CG2 3.71Å
66	A	85	Confident	84	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.			trans	-62.6	128.4	168.8	0	0	0	0	0	110.4	T41 G43 Q68 F71	T41-A66 VanDerWaalsContact O-CB 3.3Å; T41-A66 WeakPolarHBondContact O-CB 3.5Å; G43-A66 VanDerWaalsContact O-CB 3.25Å; G43-A66 WeakPolarHBondContact O-CB 3.37Å; G43-A66 PolarHBondContact O-N 3.21Å; A66-Q68 VanDerWaalsContact C-N 3.28Å; A66-F71 HydrophobicContact CB-CB 3.83Å; A66-F71 HydrophobicContact CB-CD2 3.63Å; A66-F71 HydrophobicContact CB-CG 4.03Å
67	G	75.6	Confident	83.4	Confident	11 Å²	11	46.9 Å²	46.9	11%	0.113	23%	0.228	C	C	.	.			trans	-85.6	3.3	175.5	0	0	0	0	0	114.4	G16 N17 A18 K22 T65	G16-G67 WeakPolarHBondContact O-CA 3.35Å; N17-G67 CarbonylContact C-O 3.57Å; A18-G67 PolarHBondContact N-O 2.93Å; K22-G67 VanDerWaalsContact NZ-CA 3.33Å; T65-G67 PolarHBondContact O-N 3.49Å
68	Q	73.4	Confident	82.9	Confident	39 Å²	39	45.2 Å²	45.2	18%	0.182	22%	0.219	C	C	.	.	S	Bend	trans	-83.2	134.6	176.6	-64	-176.7	21.5	0	0	109.7	A18 A66 R70 F71	A18-Q68 HydrophobicContact CB-CG 3.92Å; A66-Q68 VanDerWaalsContact C-N 3.28Å; Q68-R70 PolarHBondContact O-N 3.24Å; Q68-R70 VanDerWaalsContact O-N 3.13Å; Q68-F71 HydrophobicContact CB-CD2 4.04Å; Q68-F71 PolarHBondContact O-N 2.88Å
69	E	68.6	Low	82.4	Confident	127 Å²	127	45.2 Å²	45.2	59%	0.593	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-50.3	-35.8	176	65.8	-64.2	150	0	0	112.9	F71 R72	E69-F71 PolarHBondContact O-N 3.36Å; E69-F71 VanDerWaalsContact O-N 3.07Å; E69-R72 WeakPolarHBondContact O-CB 3.42Å; E69-R72 PolarHBondContact O-N 3.02Å; E69-R72 VanDerWaalsContact O-N 3.1Å
70	R	67.1	Low	81.9	Confident	179 Å²	179	52.5 Å²	52.5	68%	0.675	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-60.2	-19	177.6	-63.8	-174.1	-65.4	178.6	0	114.5	Q68	Q68-R70 PolarHBondContact O-N 3.24Å; Q68-R70 VanDerWaalsContact O-N 3.13Å
71	F	72.1	Confident	81.3	Confident	47 Å²	47	55.2 Å²	55.2	21%	0.206	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-111.4	5	179.5	-58.6	-62.7	0	0	0	113.5	I42 A66 Q68 E69 S73 I74 T75	I42-F71 HydrophobicContact CG2-CZ 4.18Å; A66-F71 HydrophobicContact CB-CB 3.83Å; A66-F71 HydrophobicContact CB-CD2 3.63Å; A66-F71 HydrophobicContact CB-CG 4.03Å; Q68-F71 HydrophobicContact CB-CD2 4.04Å; Q68-F71 PolarHBondContact O-N 2.88Å; E69-F71 PolarHBondContact O-N 3.36Å; E69-F71 VanDerWaalsContact O-N 3.07Å; F71-S73 VanDerWaalsContact C-N 3.3Å; F71-S73 PolarHBondContact O-N 3.21Å; F71-I74 HydrophobicContact CD1-CD1 4.1Å; F71-I74 WeakPolarHBondContact O-CB 3.4Å; F71-I74 PolarHBondContact O-N 3.3Å; F71-T75 PolarHBondContact O-N 2.96Å; F71-T75 PolarHBondContact O-OG1 3.18Å
72	R	72.1	Confident	81.2	Confident	56 Å²	56	53.9 Å²	53.9	21%	0.211	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-38.6	-176.5	-86.7	-178.8	173.9	-163.1	5.8	113.7	E69 I74 T75 Q76 W103 E106	E69-R72 WeakPolarHBondContact O-CB 3.42Å; E69-R72 PolarHBondContact O-N 3.02Å; E69-R72 VanDerWaalsContact O-N 3.1Å; R72-I74 VanDerWaalsContact C-N 3.27Å; R72-I74 PolarHBondContact O-N 3.32Å; R72-T75 WeakPolarHBondContact O-CB 3.42Å; R72-T75 PolarHBondContact O-N 2.89Å; R72-T75 VanDerWaalsContact O-N 3.17Å; R72-Q76 WeakPolarHBondContact O-CG 3.32Å; R72-Q76 PolarHBondContact O-N 3.26Å; R72-Q76 VanDerWaalsContact O-N 3.14Å; R72-W103 HydrophobicContact CG-CH2 4.47Å; R72-E106 WeakPolarHBondContact CD-OE1 3.41Å; R72-E106 IonicContact CZ-OE1 3.23Å; R72-E106 VanDerWaalsContact CZ-OE1 3.23Å; R72-E106 IonicContact NE-OE1 3.45Å; R72-E106 PolarHBondContact NE-OE1 2.97Å; R72-E106 IonicContact NH1-OE1 2.81Å; R72-E106 PolarHBondContact NH1-OE1 3.36Å
73	S	71.4	Confident	81.2	Confident	88 Å²	88	56.8 Å²	56.8	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-62.6	-31.7	178.7	56.8	0	0	0	0	113.5	F71	F71-S73 VanDerWaalsContact C-N 3.3Å; F71-S73 PolarHBondContact O-N 3.21Å
74	I	70.8	Confident	81.3	Confident	73 Å²	73	55 Å²	55	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-70.5	-44.8	176.2	-63.1	170.6	0	0	0	109.2	V44 F71 R72 Q76 S77 Y78	V44-I74 HydrophobicContact CG2-CG2 4.11Å; F71-I74 HydrophobicContact CD1-CD1 4.1Å; F71-I74 WeakPolarHBondContact O-CB 3.4Å; F71-I74 PolarHBondContact O-N 3.3Å; R72-I74 VanDerWaalsContact C-N 3.27Å; R72-I74 PolarHBondContact O-N 3.32Å; I74-Q76 PolarHBondContact O-N 3.45Å; I74-S77 PolarHBondContact O-N 2.81Å; I74-S77 PolarHBondContact O-OG 3.47Å; I74-Y78 HydrophobicContact CG2-CE2 4.08Å; I74-Y78 VanDerWaalsContact O-CD2 3.29Å; I74-Y78 WeakPolarHBondContact O-CD2 3.19Å; I74-Y78 WeakPolarHBondContact O-CE2 3.47Å
75	T	73.3	Confident	81.5	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-37.9	-177.2	-56	0	0	0	0	113	I15 T65 F71 R72 S77 Y78 Y79	I15-T75 HydrophobicContact CG2-CG2 4.3Å; T65-T75 HydrophobicContact CG2-CG2 3.71Å; F71-T75 PolarHBondContact O-N 2.96Å; F71-T75 PolarHBondContact O-OG1 3.18Å; R72-T75 WeakPolarHBondContact O-CB 3.42Å; R72-T75 PolarHBondContact O-N 2.89Å; R72-T75 VanDerWaalsContact O-N 3.17Å; T75-S77 PolarHBondContact O-N 2.82Å; T75-Y78 PolarHBondContact O-N 2.77Å; T75-Y78 VanDerWaalsContact O-N 3.07Å; T75-Y79 HydrophobicContact CG2-CE1 3.54Å; T75-Y79 WeakPolarHBondContact O-CD1 3.27Å; T75-Y79 WeakPolarHBondContact O-CE1 3.27Å
76	Q	80.6	Confident	81.9	Confident	47 Å²	47	54.9 Å²	54.9	22%	0.22	27%	0.267	C	S	.	.	H	α-helix	trans	-55.6	-35.9	179.5	-71.6	168.9	-2.3	0	0	113.5	R72 I74 Y78 Y79 Y110	R72-Q76 WeakPolarHBondContact O-CG 3.32Å; R72-Q76 PolarHBondContact O-N 3.26Å; R72-Q76 VanDerWaalsContact O-N 3.14Å; I74-Q76 PolarHBondContact O-N 3.45Å; Q76-Y78 PolarHBondContact O-N 2.8Å; Q76-Y79 PolarHBondContact O-N 3.07Å; Q76-Y110 HydrophobicContact CB-CD1 4.46Å; Q76-Y110 HydrophobicContact CB-CD2 4.26Å; Q76-Y110 HydrophobicContact CB-CG 4.22Å; Q76-Y110 VanDerWaalsContact CD-CE2 3.41Å; Q76-Y110 HydrophobicContact CG-CD2 3.72Å; Q76-Y110 HydrophobicContact CG-CE2 3.75Å; Q76-Y110 HydrophobicContact CG-CG 4.19Å; Q76-Y110 VanDerWaalsContact NE2-CE2 3.34Å
77	S	81.1	Confident	82.5	Confident	82 Å²	82	54.9 Å²	54.9	57%	0.573	27%	0.267	S	S	*	.	H	α-helix	trans	-63.5	-24.3	-179.5	68.9	0	0	0	0	113.7	I74 T75	I74-S77 PolarHBondContact O-N 2.81Å; I74-S77 PolarHBondContact O-OG 3.47Å; T75-S77 PolarHBondContact O-N 2.82Å
78	Y	85.3	Confident	83.6	Confident	70 Å²	70	54.4 Å²	54.4	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-82.5	-18.3	-179.1	-63.9	-87.6	0	0	0	112.8	V44 W63 I74 T75 Q76	V44-Y78 HydrophobicContact CB-CE2 4.19Å; V44-Y78 HydrophobicContact CG1-CE1 4.29Å; V44-Y78 HydrophobicContact CG1-CE2 4.32Å; V44-Y78 HydrophobicContact CG2-CD2 4.09Å; V44-Y78 HydrophobicContact CG2-CE2 3.63Å; W63-Y78 AromaticContact CD1-CD1 3.42Å; W63-Y78 VanDerWaalsContact CD1-CD1 3.42Å; W63-Y78 AromaticContact CD1-CE1 3.47Å; W63-Y78 VanDerWaalsContact CD1-CE1 3.47Å; W63-Y78 HydrophobicContact CD2-CD1 4.44Å; W63-Y78 AromaticContact CG-CD1 3.98Å; W63-Y78 HydrophobicContact CG-CD1 3.98Å; W63-Y78 HydrophobicContact CG-CE1 4.43Å; W63-Y78 AromaticContact NE1-CD1 3.55Å; W63-Y78 AromaticContact NE1-CE1 3.48Å; I74-Y78 HydrophobicContact CG2-CE2 4.08Å; I74-Y78 VanDerWaalsContact O-CD2 3.29Å; I74-Y78 WeakPolarHBondContact O-CD2 3.19Å; I74-Y78 WeakPolarHBondContact O-CE2 3.47Å; T75-Y78 PolarHBondContact O-N 2.77Å; T75-Y78 VanDerWaalsContact O-N 3.07Å; Q76-Y78 PolarHBondContact O-N 2.8Å
79	Y	86.7	Confident	84.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.6	-40.3	-176	-67.7	9.6	0	0	0	111.7	I15 T75 Q76 S81 A82 L85 W103 E106 I107	I15-Y79 HydrophobicContact CG2-CE1 3.6Å; T75-Y79 HydrophobicContact CG2-CE1 3.54Å; T75-Y79 WeakPolarHBondContact O-CD1 3.27Å; T75-Y79 WeakPolarHBondContact O-CE1 3.27Å; Q76-Y79 PolarHBondContact O-N 3.07Å; Y79-S81 PolarHBondContact O-N 2.82Å; Y79-S81 VanDerWaalsContact O-N 3.11Å; Y79-A82 WeakPolarHBondContact O-CB 3.48Å; Y79-A82 PolarHBondContact O-N 3.27Å; Y79-A82 VanDerWaalsContact O-N 3.1Å; Y79-L85 HydrophobicContact CD1-CD2 4.39Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.1Å; Y79-E106 HydrophobicContact CE2-CB 4.15Å; Y79-I107 HydrophobicContact CE2-CG1 4.48Å
80	R	86.1	Confident	86.2	Confident	208 Å²	208	47.1 Å²	47.1	79%	0.785	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.3	-174.1	-173.2	179.9	178.6	106.1	0.1	113.6
81	S	87	Confident	87.7	Confident	57 Å²	57	38.6 Å²	38.6	40%	0.399	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	1.6	-177.7	78.6	0	0	0	0	114	K11 Y79	K11-S81 VanDerWaalsContact CD-O 3.24Å; K11-S81 WeakPolarHBondContact CD-O 3.33Å; Y79-S81 PolarHBondContact O-N 2.82Å; Y79-S81 VanDerWaalsContact O-N 3.11Å
82	A	94.4	Very high	89	Confident	7 Å²	7	37.7 Å²	37.7	6%	0.058	19%	0.194	C	C	.	.			trans	-69.7	136.4	178.9	0	0	0	0	0	110.7	V13 Y79 L85 V115	V13-A82 HydrophobicContact CG2-CB 3.8Å; Y79-A82 WeakPolarHBondContact O-CB 3.48Å; Y79-A82 PolarHBondContact O-N 3.27Å; Y79-A82 VanDerWaalsContact O-N 3.1Å; A82-L85 HydrophobicContact CB-CD2 3.71Å; A82-L85 HydrophobicContact CB-CG 4.43Å; A82-V115 HydrophobicContact CB-CG2 4.21Å
83	N	96.8	Very high	90.2	Very high	61 Å²	61	37 Å²	37	33%	0.326	20%	0.198	S	C	.	.	S	Bend	trans	-82.9	-32.8	165.8	-59.6	111.2	0	0	0	110.5	F10 K11 I116 L170	F10-N83 WeakPolarHBondContact CA-OD1 3.36Å; F10-N83 HydrophobicContact CB-CB 4.46Å; F10-N83 HydrophobicContact CD1-CB 4.29Å; K11-N83 PolarHBondContact N-OD1 2.95Å; K11-N83 PolarHBondContact O-N 3.34Å; N83-I116 PolarHBondContact O-N 2.95Å; N83-I116 VanDerWaalsContact O-N 3.11Å; N83-L170 HydrophobicContact CB-CD2 3.87Å
84	A	97.5	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.1	174.3	0	0	0	0	0	113.4	K11 I12 V13 I116 L166 L170	K11-A84 PolarHBondContact O-N 2.93Å; K11-A84 VanDerWaalsContact O-N 3.12Å; I12-A84 WeakPolarHBondContact CA-O 3.33Å; V13-A84 PolarHBondContact N-O 3.19Å; A84-I116 CarbonylContact C-O 3.49Å; A84-I116 WeakPolarHBondContact CA-O 3.11Å; A84-I116 HydrophobicContact CB-CB 4.19Å; A84-I116 WeakPolarHBondContact CB-O 3.34Å; A84-L166 HydrophobicContact CB-CD1 3.76Å; A84-L166 HydrophobicContact CB-CD2 3.82Å; A84-L166 HydrophobicContact CB-CG 4.08Å; A84-L170 HydrophobicContact CB-CD1 4.04Å; A84-L170 HydrophobicContact CB-CD2 4.37Å
85	L	97	Very high	92.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.7	172.1	-60.5	-179.7	0	0	0	109.7	V13 I15 Y79 A82 I107 A111 V115 I116 T117 V118	V13-L85 HydrophobicContact CB-CD2 3.61Å; V13-L85 HydrophobicContact CG1-CD2 4.43Å; V13-L85 HydrophobicContact CG2-CD2 4.12Å; V13-L85 WeakPolarHBondContact O-CA 3.43Å; I15-L85 HydrophobicContact CD1-CB 4.4Å; I15-L85 HydrophobicContact CD1-CD1 4.32Å; Y79-L85 HydrophobicContact CD1-CD2 4.39Å; A82-L85 HydrophobicContact CB-CD2 3.71Å; A82-L85 HydrophobicContact CB-CG 4.43Å; L85-I107 HydrophobicContact CD1-CB 4.19Å; L85-I107 HydrophobicContact CD1-CD1 3.92Å; L85-I107 HydrophobicContact CD1-CG1 3.6Å; L85-I107 HydrophobicContact CD1-CG2 3.66Å; L85-A111 HydrophobicContact CD1-CB 4.21Å; L85-V115 HydrophobicContact CD1-CG1 4.44Å; L85-V115 HydrophobicContact CD1-CG2 4.25Å; L85-V115 HydrophobicContact CG-CG2 3.78Å; L85-I116 PolarHBondContact N-O 3.33Å; L85-T117 HydrophobicContact CB-CG2 4.16Å; L85-T117 WeakPolarHBondContact O-CA 3.25Å; L85-V118 PolarHBondContact O-N 3.06Å
86	I	98.1	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	100.8	172.8	-60.4	176.6	0	0	0	107.2	I12 V13 L14 I15 V118 V120 L162 F163 L166	I12-I86 HydrophobicContact CG2-CD1 3.54Å; I12-I86 HydrophobicContact CG2-CG1 3.83Å; V13-I86 PolarHBondContact O-N 3.37Å; L14-I86 WeakPolarHBondContact CA-O 3.49Å; L14-I86 HydrophobicContact CD1-CD1 4.18Å; L14-I86 HydrophobicContact CG-CB 4.04Å; L14-I86 HydrophobicContact CG-CD1 4.33Å; L14-I86 HydrophobicContact CG-CG2 4.3Å; I15-I86 PolarHBondContact N-O 2.92Å; I86-V118 HydrophobicContact CB-CG2 4.14Å; I86-V118 HydrophobicContact CG1-CG2 3.74Å; I86-V118 HydrophobicContact CG2-CG2 4.23Å; I86-V120 HydrophobicContact CG2-CB 4.27Å; I86-V120 HydrophobicContact CG2-CG2 3.58Å; I86-L162 HydrophobicContact CD1-CD2 4.3Å; I86-L162 HydrophobicContact CD1-CG 4.4Å; I86-L162 HydrophobicContact CG2-CD2 4.23Å; I86-F163 HydrophobicContact CD1-CD1 4.13Å; I86-F163 HydrophobicContact CD1-CE1 3.63Å; I86-F163 HydrophobicContact CD1-CZ 4.09Å; I86-L166 HydrophobicContact CD1-CD2 3.95Å; I86-L166 HydrophobicContact CG1-CD2 3.83Å
87	L	97.8	Very high	94.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112.8	177.5	179.4	58.1	0	0	0	109.4	I15 L100 W103 L104 T117 V118 L119 V120 M146	I15-L87 HydrophobicContact CD1-CB 4.43Å; I15-L87 HydrophobicContact CD1-CD1 3.99Å; I15-L87 HydrophobicContact CG1-CB 4.24Å; I15-L87 HydrophobicContact CG1-CD1 3.84Å; L87-L100 HydrophobicContact CD1-CD2 3.85Å; L87-L100 HydrophobicContact CD2-CD2 3.65Å; L87-L100 HydrophobicContact CG-CD2 3.54Å; L87-W103 HydrophobicContact CD1-CB 3.59Å; L87-W103 HydrophobicContact CD1-CD2 4.46Å; L87-W103 HydrophobicContact CD1-CG 3.82Å; L87-W103 HydrophobicContact CD2-CB 4.37Å; L87-L104 HydrophobicContact CD2-CD2 3.87Å; L87-L104 HydrophobicContact CD2-CG 4.18Å; L87-T117 HydrophobicContact CB-CG2 4.31Å; L87-V118 PolarHBondContact N-O 3.1Å; L87-L119 HydrophobicContact CD2-CD1 4.33Å; L87-L119 HydrophobicContact CG-CD1 4.2Å; L87-L119 CarbonylContact O-C 3.5Å; L87-L119 WeakPolarHBondContact O-CA 3.16Å; L87-V120 PolarHBondContact O-N 2.86Å; L87-M146 HydrophobicContact CB-CE 4.45Å; L87-M146 HydrophobicContact CD2-CE 4.34Å
88	T	98.4	Very high	95.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.9	-170.8	-46.5	0	0	0	0	111.4	I15 G16 V20 L25 V120 N122	I15-T88 PolarHBondContact O-N 3.45Å; G16-T88 WeakPolarHBondContact CA-O 3.17Å; V20-T88 HydrophobicContact CB-CG2 4.4Å; V20-T88 HydrophobicContact CG2-CG2 3.91Å; L25-T88 HydrophobicContact CD1-CG2 3.94Å; T88-V120 WeakPolarHBondContact CA-O 3.36Å; T88-V120 HydrophobicContact CG2-CB 4.38Å; T88-V120 HydrophobicContact CG2-CG1 4.31Å; T88-N122 HydrophobicContact CG2-CB 4Å
89	Y	98.7	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	169.2	166.7	78.3	-81.3	0	0	0	110.8	I91 F97 L100 L119 V120 G121 N122 V132 A137 Y148	Y89-I91 HydrophobicContact CE2-CG2 3.95Å; Y89-F97 HydrophobicContact CD1-CD2 4.07Å; Y89-F97 HydrophobicContact CD2-CB 3.95Å; Y89-F97 AromaticContact CD2-CD2 3.72Å; Y89-F97 HydrophobicContact CD2-CD2 3.72Å; Y89-F97 HydrophobicContact CD2-CG 4.32Å; Y89-F97 HydrophobicContact CE1-CD2 4.02Å; Y89-F97 HydrophobicContact CE1-CE2 4.27Å; Y89-F97 HydrophobicContact CE2-CB 4.46Å; Y89-F97 AromaticContact CE2-CD2 3.68Å; Y89-F97 HydrophobicContact CE2-CD2 3.68Å; Y89-F97 HydrophobicContact CE2-CE2 4.44Å; Y89-F97 HydrophobicContact CE2-CG 4.47Å; Y89-F97 HydrophobicContact CG-CB 4.43Å; Y89-F97 AromaticContact CG-CD2 3.94Å; Y89-F97 HydrophobicContact CG-CD2 3.94Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; Y89-L100 HydrophobicContact CD1-CD1 4.22Å; Y89-L100 HydrophobicContact CG-CD1 4.46Å; Y89-L119 HydrophobicContact CD1-CD1 3.95Å; Y89-L119 HydrophobicContact CD1-CG 4.35Å; Y89-L119 HydrophobicContact CE1-CD1 4.29Å; Y89-L119 HydrophobicContact CE1-CD2 4.36Å; Y89-L119 HydrophobicContact CE1-CG 4.2Å; Y89-V120 VanDerWaalsContact CD1-O 3.27Å; Y89-V120 WeakPolarHBondContact CD1-O 3.25Å; Y89-V120 PolarHBondContact N-O 3.27Å; Y89-G121 VanDerWaalsContact CZ-CA 3.49Å; Y89-N122 PolarHBondContact O-N 3.03Å; Y89-V132 HydrophobicContact CD2-CG2 4.46Å; Y89-V132 HydrophobicContact CE2-CB 3.96Å; Y89-V132 HydrophobicContact CE2-CG1 3.89Å; Y89-V132 HydrophobicContact CE2-CG2 4.12Å; Y89-A137 HydrophobicContact CE1-CB 4.48Å; Y89-A137 WeakPolarHBondContact OH-CB 3.29Å; Y89-Y148 HydrophobicContact CE1-CE2 4.08Å; Y89-Y148 PolarHBondContact OH-OH 2.95Å; Y89-Y148 VanDerWaalsContact OH-OH 3.06Å
90	D	98.5	Very high	96.6	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.064	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.3	176.7	176.9	-0.2	0	0	0	109.8	V20 T92 C93 S96 K123	V20-D90 HydrophobicContact CB-CB 4.27Å; V20-D90 HydrophobicContact CG1-CB 4.19Å; D90-T92 PolarHBondContact O-N 2.84Å; D90-T92 VanDerWaalsContact O-N 3.15Å; D90-T92 PolarHBondContact OD1-N 3.06Å; D90-T92 PolarHBondContact OD1-OG1 3.45Å; D90-T92 VanDerWaalsContact OD1-OG1 3.07Å; D90-T92 PolarHBondContact OD2-OG1 2.85Å; D90-C93 HydrophobicContact CB-CB 3.96Å; D90-C93 PolarHBondContact O-N 3.01Å; D90-S96 PolarHBondContact N-OG 2.79Å; D90-S96 PolarHBondContact O-OG 3.24Å; D90-K123 WeakPolarHBondContact OD1-CD 3.31Å; D90-K123 WeakPolarHBondContact OD2-CD 3.47Å; D90-K123 WeakPolarHBondContact OD2-CE 3.49Å; D90-K123 IonicContact OD2-NZ 2.73Å; D90-K123 PolarHBondContact OD2-NZ 2.93Å
91	I	98.7	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	-178.8	67.1	147.8	0	0	0	113.2	Y89 N122 I124 R130 E131 V132	Y89-I91 HydrophobicContact CE2-CG2 3.95Å; I91-N122 WeakPolarHBondContact CG1-O 3.43Å; I91-N122 PolarHBondContact N-O 2.89Å; I91-I124 HydrophobicContact CD1-CG2 4.16Å; I91-R130 HydrophobicContact CD1-CB 4.34Å; I91-R130 HydrophobicContact CD1-CG 4.49Å; I91-E131 PolarHBondContact O-N 3.38Å; I91-V132 PolarHBondContact O-N 2.74Å
92	T	98.5	Very high	97.4	Very high	28 Å²	28	29.2 Å²	29.2	17%	0.172	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	13.6	177.1	78	0	0	0	0	112.5	D90 L126 K129 E131	D90-T92 PolarHBondContact O-N 2.84Å; D90-T92 VanDerWaalsContact O-N 3.15Å; D90-T92 PolarHBondContact OD1-N 3.06Å; D90-T92 PolarHBondContact OD1-OG1 3.45Å; D90-T92 VanDerWaalsContact OD1-OG1 3.07Å; D90-T92 PolarHBondContact OD2-OG1 2.85Å; T92-L126 HydrophobicContact CG2-CB 3.59Å; T92-L126 HydrophobicContact CG2-CD1 4.22Å; T92-K129 WeakPolarHBondContact CA-O 3.48Å; T92-K129 WeakPolarHBondContact CB-O 3.49Å; T92-K129 HydrophobicContact CG2-CB 4.02Å; T92-E131 VanDerWaalsContact O-CD 3.29Å
93	C	98.1	Very high	97.4	Very high	43 Å²	43	29 Å²	29	29%	0.291	15%	0.145	S	C	.	.			trans	-141.3	96.7	179.4	-177.6	0	0	0	0	110.6	D90 E95 S96 E131	D90-C93 HydrophobicContact CB-CB 3.96Å; D90-C93 PolarHBondContact O-N 3.01Å; C93-E95 PolarHBondContact O-N 2.71Å; C93-S96 WeakPolarHBondContact O-CB 3.5Å; C93-S96 PolarHBondContact O-N 3.3Å; C93-S96 VanDerWaalsContact O-N 3.08Å; C93-S96 PolarHBondContact O-OG 3.01Å; C93-E131 WeakPolarHBondContact CA-OE2 3.4Å
94	E	97.9	Very high	97.3	Very high	25 Å²	25	26.9 Å²	26.9	12%	0.117	13%	0.134	C	C	.	.	H	α-helix	trans	-53.2	-38.6	177.6	173	63.3	-167.6	0	0	112.4	S96 F97 R98 E131 R136	E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.84Å; E94-F97 WeakPolarHBondContact O-CB 3.04Å; E94-F97 PolarHBondContact O-N 3.19Å; E94-F97 VanDerWaalsContact O-N 3.13Å; E94-R98 HydrophobicContact CG-CG 4.4Å; E94-R98 WeakPolarHBondContact O-CG 3.29Å; E94-R98 PolarHBondContact O-N 3.42Å; E94-R98 IonicContact OE1-CZ 2.65Å; E94-R98 IonicContact OE1-NE 2.87Å; E94-R98 PolarHBondContact OE1-NE 3.44Å; E94-R98 IonicContact OE1-NH2 3.83Å; E94-R98 PolarHBondContact OE1-NH2 2.81Å; E94-E131 HydrophobicContact CB-CB 4.12Å; E94-E131 WeakPolarHBondContact CB-OE2 3.49Å; E94-E131 PolarHBondContact N-OE2 2.82Å; E94-R136 IonicContact OE1-CZ 3.93Å; E94-R136 VanDerWaalsContact OE1-CZ 3.24Å; E94-R136 IonicContact OE1-NH1 3.89Å; E94-R136 PolarHBondContact OE1-NH1 3.25Å; E94-R136 IonicContact OE1-NH2 3.69Å; E94-R136 PolarHBondContact OE1-NH2 3.18Å; E94-R136 IonicContact OE2-CZ 2.97Å; E94-R136 IonicContact OE2-NH1 3.24Å; E94-R136 PolarHBondContact OE2-NH1 3.15Å; E94-R136 IonicContact OE2-NH2 2.7Å
95	E	97.4	Very high	97.1	Very high	109 Å²	109	34.1 Å²	34.1	51%	0.509	16%	0.161	S	C	.	.	H	α-helix	trans	-63.3	-37	-179.6	-172.7	56.8	-152.8	0	0	112.2	C93 F97 R98 C99	C93-E95 PolarHBondContact O-N 2.71Å; E95-F97 PolarHBondContact O-N 3.49Å; E95-R98 PolarHBondContact O-N 2.88Å; E95-C99 PolarHBondContact O-N 2.86Å; E95-C99 VanDerWaalsContact O-N 3.11Å; E95-C99 PolarHBondContact O-SG 3.4Å
96	S	97.9	Very high	96.8	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-32.9	176.6	76.5	0	0	0	0	112.3	D90 C93 E94	D90-S96 PolarHBondContact N-OG 2.79Å; D90-S96 PolarHBondContact O-OG 3.24Å; C93-S96 WeakPolarHBondContact O-CB 3.5Å; C93-S96 PolarHBondContact O-N 3.3Å; C93-S96 VanDerWaalsContact O-N 3.08Å; C93-S96 PolarHBondContact O-OG 3.01Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.84Å
97	F	98.4	Very high	96.5	Very high	10 Å²	10	35.2 Å²	35.2	4%	0.044	17%	0.166	C	C	.	.	H	α-helix	trans	-76.9	-40.1	176	-173.2	-94.8	0	0	0	111.9	Y89 E94 E95 C99 L100 V132 R136 A137 F140	Y89-F97 HydrophobicContact CD1-CD2 4.07Å; Y89-F97 HydrophobicContact CD2-CB 3.95Å; Y89-F97 AromaticContact CD2-CD2 3.72Å; Y89-F97 HydrophobicContact CD2-CD2 3.72Å; Y89-F97 HydrophobicContact CD2-CG 4.32Å; Y89-F97 HydrophobicContact CE1-CD2 4.02Å; Y89-F97 HydrophobicContact CE1-CE2 4.27Å; Y89-F97 HydrophobicContact CE2-CB 4.46Å; Y89-F97 AromaticContact CE2-CD2 3.68Å; Y89-F97 HydrophobicContact CE2-CD2 3.68Å; Y89-F97 HydrophobicContact CE2-CE2 4.44Å; Y89-F97 HydrophobicContact CE2-CG 4.47Å; Y89-F97 HydrophobicContact CG-CB 4.43Å; Y89-F97 AromaticContact CG-CD2 3.94Å; Y89-F97 HydrophobicContact CG-CD2 3.94Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; E94-F97 WeakPolarHBondContact O-CB 3.04Å; E94-F97 PolarHBondContact O-N 3.19Å; E94-F97 VanDerWaalsContact O-N 3.13Å; E95-F97 PolarHBondContact O-N 3.49Å; F97-C99 PolarHBondContact O-N 3.22Å; F97-L100 HydrophobicContact CB-CD1 4.47Å; F97-L100 HydrophobicContact CD2-CD1 3.33Å; F97-L100 HydrophobicContact CD2-CG 4.5Å; F97-L100 HydrophobicContact CE2-CD1 3.56Å; F97-L100 HydrophobicContact CG-CD1 3.92Å; F97-L100 HydrophobicContact CZ-CD1 4.31Å; F97-L100 VanDerWaalsContact O-CB 3.29Å; F97-L100 WeakPolarHBondContact O-CB 3.45Å; F97-L100 WeakPolarHBondContact O-CD1 3.21Å; F97-L100 WeakPolarHBondContact O-CG 3.39Å; F97-L100 PolarHBondContact O-N 3.24Å; F97-V132 HydrophobicContact CB-CG1 4.42Å; F97-V132 HydrophobicContact CB-CG2 3.68Å; F97-V132 HydrophobicContact CD1-CG1 4.17Å; F97-V132 HydrophobicContact CD2-CG1 3.69Å; F97-V132 HydrophobicContact CD2-CG2 4.43Å; F97-V132 HydrophobicContact CE1-CG1 4.37Å; F97-V132 HydrophobicContact CE2-CG1 3.92Å; F97-V132 HydrophobicContact CG-CG1 3.83Å; F97-V132 HydrophobicContact CG-CG2 3.99Å; F97-V132 HydrophobicContact CZ-CG1 4.25Å; F97-R136 HydrophobicContact CE1-CG 4.09Å; F97-R136 HydrophobicContact CZ-CG 4.29Å; F97-A137 HydrophobicContact CE2-CB 3.9Å; F97-A137 HydrophobicContact CZ-CB 4.41Å; F97-F140 HydrophobicContact CE2-CB 4.5Å; F97-F140 HydrophobicContact CZ-CB 3.75Å; F97-F140 HydrophobicContact CZ-CD1 4.35Å; F97-F140 HydrophobicContact CZ-CD2 4.49Å; F97-F140 AromaticContact CZ-CG 3.95Å; F97-F140 HydrophobicContact CZ-CG 3.95Å
98	R	97.8	Very high	96.3	Very high	153 Å²	153	42 Å²	42	58%	0.577	20%	0.198	S	C	*	.	H	α-helix	trans	-62.2	-25.3	175.1	-72.1	179	-177.5	179.7	0.3	113.6	E94 E95 L100 P101	E94-R98 HydrophobicContact CG-CG 4.4Å; E94-R98 WeakPolarHBondContact O-CG 3.29Å; E94-R98 PolarHBondContact O-N 3.42Å; E94-R98 IonicContact OE1-CZ 2.65Å; E94-R98 IonicContact OE1-NE 2.87Å; E94-R98 PolarHBondContact OE1-NE 3.44Å; E94-R98 IonicContact OE1-NH2 3.83Å; E94-R98 PolarHBondContact OE1-NH2 2.81Å; E95-R98 PolarHBondContact O-N 2.88Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-P101 VanDerWaalsContact O-CD 3.27Å; R98-P101 WeakPolarHBondContact O-CD 3.3Å
99	C	96.4	Very high	96	Very high	24 Å²	24	48.4 Å²	48.4	16%	0.162	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.6	175.3	-70.4	0	0	0	0	114.1	N17 E95 F97 P101 E102 W103	N17-C99 PolarHBondContact ND2-SG 3.04Å; N17-C99 WeakPolarHBondContact OD1-CB 3.37Å; E95-C99 PolarHBondContact O-N 2.86Å; E95-C99 VanDerWaalsContact O-N 3.11Å; E95-C99 PolarHBondContact O-SG 3.4Å; F97-C99 PolarHBondContact O-N 3.22Å; C99-P101 VanDerWaalsContact C-CD 3.5Å; C99-E102 WeakPolarHBondContact O-CB 3.31Å; C99-E102 PolarHBondContact O-N 3.12Å; C99-E102 VanDerWaalsContact O-N 3.11Å; C99-W103 VanDerWaalsContact O-CD1 3.27Å; C99-W103 PolarHBondContact O-N 3.36Å
100	L	96.9	Very high	95.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-55.9	-43	-175.7	-66.3	172	0	0	0	114.2	L87 Y89 F97 R98 E102 W103 L104 L119 F140	L87-L100 HydrophobicContact CD1-CD2 3.85Å; L87-L100 HydrophobicContact CD2-CD2 3.65Å; L87-L100 HydrophobicContact CG-CD2 3.54Å; Y89-L100 HydrophobicContact CD1-CD1 4.22Å; Y89-L100 HydrophobicContact CG-CD1 4.46Å; F97-L100 HydrophobicContact CB-CD1 4.47Å; F97-L100 HydrophobicContact CD2-CD1 3.33Å; F97-L100 HydrophobicContact CD2-CG 4.5Å; F97-L100 HydrophobicContact CE2-CD1 3.56Å; F97-L100 HydrophobicContact CG-CD1 3.92Å; F97-L100 HydrophobicContact CZ-CD1 4.31Å; F97-L100 VanDerWaalsContact O-CB 3.29Å; F97-L100 WeakPolarHBondContact O-CB 3.45Å; F97-L100 WeakPolarHBondContact O-CD1 3.21Å; F97-L100 WeakPolarHBondContact O-CG 3.39Å; F97-L100 PolarHBondContact O-N 3.24Å; R98-L100 VanDerWaalsContact C-N 3.32Å; L100-E102 PolarHBondContact O-N 2.87Å; L100-W103 WeakPolarHBondContact O-CB 3.32Å; L100-W103 PolarHBondContact O-N 3.06Å; L100-W103 VanDerWaalsContact O-N 3.13Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 3.06Å; L100-L119 HydrophobicContact CD1-CD1 3.8Å; L100-L119 HydrophobicContact CD2-CD1 3.81Å; L100-L119 HydrophobicContact CG-CD1 4.47Å; L100-F140 HydrophobicContact CB-CE1 3.93Å; L100-F140 HydrophobicContact CB-CE2 4.48Å; L100-F140 HydrophobicContact CB-CZ 3.65Å; L100-F140 HydrophobicContact CD1-CD1 4.17Å; L100-F140 HydrophobicContact CD1-CE1 3.8Å; L100-F140 HydrophobicContact CD1-CZ 4.26Å; L100-F140 HydrophobicContact CG-CE1 4.48Å
101	P	96.6	Very high	95.3	Very high	55 Å²	55	52.3 Å²	52.3	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-33.9	177.3	-24.8	35.8	0	0	0	113.5	R98 C99 L104 R105 F140	R98-P101 VanDerWaalsContact O-CD 3.27Å; R98-P101 WeakPolarHBondContact O-CD 3.3Å; C99-P101 VanDerWaalsContact C-CD 3.5Å; P101-L104 PolarHBondContact O-N 3.45Å; P101-R105 WeakPolarHBondContact O-CG 3.18Å; P101-R105 PolarHBondContact O-N 2.74Å; P101-R105 VanDerWaalsContact O-N 3.11Å; P101-F140 HydrophobicContact CG-CE2 4.21Å
102	E	93.7	Very high	94.8	Very high	81 Å²	81	54.9 Å²	54.9	38%	0.379	26%	0.263	S	S	.	.	H	α-helix	trans	-71.5	-39.4	177.4	-171.2	63.8	-169.9	0	0	111.2	C99 L100 L104 R105 E106	C99-E102 WeakPolarHBondContact O-CB 3.31Å; C99-E102 PolarHBondContact O-N 3.12Å; C99-E102 VanDerWaalsContact O-N 3.11Å; L100-E102 PolarHBondContact O-N 2.87Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.17Å; E102-R105 PolarHBondContact O-N 3.15Å; E102-R105 IonicContact OE2-CZ 2.76Å; E102-R105 IonicContact OE2-NH1 2.72Å; E102-R105 PolarHBondContact OE2-NH1 2.89Å; E102-E106 PolarHBondContact O-N 3.4Å; E102-E106 VanDerWaalsContact O-N 3.14Å
103	W	94.1	Very high	94.2	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-41.1	172.1	-73.2	105.5	0	0	0	111.7	I15 G16 N17 R72 Y79 L87 C99 L100 R105 E106 I107	I15-W103 HydrophobicContact CB-CE3 4.2Å; I15-W103 HydrophobicContact CB-CZ3 4.19Å; I15-W103 HydrophobicContact CD1-CE3 4.38Å; G16-W103 WeakPolarHBondContact O-CZ2 3.38Å; N17-W103 PolarHBondContact OD1-NE1 3.28Å; R72-W103 HydrophobicContact CG-CH2 4.47Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.1Å; L87-W103 HydrophobicContact CD1-CB 3.59Å; L87-W103 HydrophobicContact CD1-CD2 4.46Å; L87-W103 HydrophobicContact CD1-CG 3.82Å; L87-W103 HydrophobicContact CD2-CB 4.37Å; C99-W103 VanDerWaalsContact O-CD1 3.27Å; C99-W103 PolarHBondContact O-N 3.36Å; L100-W103 WeakPolarHBondContact O-CB 3.32Å; L100-W103 PolarHBondContact O-N 3.06Å; L100-W103 VanDerWaalsContact O-N 3.13Å; W103-R105 PolarHBondContact O-N 3.22Å; W103-E106 WeakPolarHBondContact O-CB 3.28Å; W103-E106 PolarHBondContact O-N 3.09Å; W103-I107 VanDerWaalsContact O-CG1 3.28Å; W103-I107 WeakPolarHBondContact O-CG1 3.13Å; W103-I107 PolarHBondContact O-N 3.14Å
104	L	94.4	Very high	93.8	Very high	17 Å²	17	66.7 Å²	66.7	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-41.9	177	-68.4	174.9	0	0	0	112.1	L87 L100 P101 E102 E106 I107 E108 F140 Q144 M146	L87-L104 HydrophobicContact CD2-CD2 3.87Å; L87-L104 HydrophobicContact CD2-CG 4.18Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 3.06Å; P101-L104 PolarHBondContact O-N 3.45Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.17Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.34Å; L104-I107 HydrophobicContact CD2-CD1 4.15Å; L104-I107 WeakPolarHBondContact O-CB 3.39Å; L104-I107 PolarHBondContact O-N 2.9Å; L104-I107 VanDerWaalsContact O-N 3.1Å; L104-E108 WeakPolarHBondContact O-CG 3.42Å; L104-E108 PolarHBondContact O-N 3.38Å; L104-F140 HydrophobicContact CD1-CE1 4.21Å; L104-F140 HydrophobicContact CD1-CZ 3.64Å; L104-Q144 HydrophobicContact CD1-CG 3.83Å; L104-M146 HydrophobicContact CD2-CE 4.4Å; L104-M146 HydrophobicContact CD2-SD 3.77Å
105	R	93.4	Very high	93.6	Very high	152 Å²	152	66.6 Å²	66.6	57%	0.574	32%	0.316	S	S	*	.	H	α-helix	trans	-59.2	-41.1	173.5	-70.2	172.6	-173.6	164	-2.5	112.5	P101 E102 W103 I107 E108 Q109	P101-R105 WeakPolarHBondContact O-CG 3.18Å; P101-R105 PolarHBondContact O-N 2.74Å; P101-R105 VanDerWaalsContact O-N 3.11Å; E102-R105 PolarHBondContact O-N 3.15Å; E102-R105 IonicContact OE2-CZ 2.76Å; E102-R105 IonicContact OE2-NH1 2.72Å; E102-R105 PolarHBondContact OE2-NH1 2.89Å; W103-R105 PolarHBondContact O-N 3.22Å; R105-I107 VanDerWaalsContact C-N 3.33Å; R105-E108 PolarHBondContact O-N 3.06Å; R105-Q109 WeakPolarHBondContact O-CB 3.2Å; R105-Q109 PolarHBondContact O-N 2.95Å
106	E	90.7	Very high	93.5	Very high	12 Å²	12	62.2 Å²	62.2	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-38.8	175.3	-68.8	-176	-169.2	0	0	111.7	R72 Y79 E102 W103 L104 Q109 Y110	R72-E106 WeakPolarHBondContact CD-OE1 3.41Å; R72-E106 IonicContact CZ-OE1 3.23Å; R72-E106 VanDerWaalsContact CZ-OE1 3.23Å; R72-E106 IonicContact NE-OE1 3.45Å; R72-E106 PolarHBondContact NE-OE1 2.97Å; R72-E106 IonicContact NH1-OE1 2.81Å; R72-E106 PolarHBondContact NH1-OE1 3.36Å; Y79-E106 HydrophobicContact CE2-CB 4.15Å; E102-E106 PolarHBondContact O-N 3.4Å; E102-E106 VanDerWaalsContact O-N 3.14Å; W103-E106 WeakPolarHBondContact O-CB 3.28Å; W103-E106 PolarHBondContact O-N 3.09Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.34Å; E106-Q109 PolarHBondContact O-N 3.32Å; E106-Y110 HydrophobicContact CB-CD2 4.39Å; E106-Y110 WeakPolarHBondContact O-CD2 3.43Å; E106-Y110 PolarHBondContact O-N 2.82Å
107	I	92.5	Very high	93.4	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.062	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-49.3	175.7	-64	170.2	0	0	0	110.1	I15 Y79 L85 W103 L104 R105 Q109 Y110 A111 V115 T117	I15-I107 HydrophobicContact CD1-CD1 3.49Å; I15-I107 VanDerWaalsContact CD1-CD1 3.49Å; I15-I107 HydrophobicContact CD1-CG1 3.77Å; Y79-I107 HydrophobicContact CE2-CG1 4.48Å; L85-I107 HydrophobicContact CD1-CB 4.19Å; L85-I107 HydrophobicContact CD1-CD1 3.92Å; L85-I107 HydrophobicContact CD1-CG1 3.6Å; L85-I107 HydrophobicContact CD1-CG2 3.66Å; W103-I107 VanDerWaalsContact O-CG1 3.28Å; W103-I107 WeakPolarHBondContact O-CG1 3.13Å; W103-I107 PolarHBondContact O-N 3.14Å; L104-I107 HydrophobicContact CD2-CD1 4.15Å; L104-I107 WeakPolarHBondContact O-CB 3.39Å; L104-I107 PolarHBondContact O-N 2.9Å; L104-I107 VanDerWaalsContact O-N 3.1Å; R105-I107 VanDerWaalsContact C-N 3.33Å; I107-Q109 PolarHBondContact O-N 2.97Å; I107-Y110 PolarHBondContact O-N 2.7Å; I107-A111 HydrophobicContact CG2-CB 3.89Å; I107-A111 WeakPolarHBondContact O-CA 3.32Å; I107-A111 WeakPolarHBondContact O-CB 3.44Å; I107-A111 PolarHBondContact O-N 2.83Å; I107-V115 HydrophobicContact CG2-CG1 4.12Å; I107-T117 HydrophobicContact CD1-CG2 3.74Å
108	E	92.5	Very high	93.4	Very high	142 Å²	142	62.8 Å²	62.8	66%	0.664	30%	0.3	S	S	*	.	H	α-helix	trans	-57.7	-36	177.8	-72	173.3	-179.4	0	0	112.4	L104 R105	L104-E108 WeakPolarHBondContact O-CG 3.42Å; L104-E108 PolarHBondContact O-N 3.38Å; R105-E108 PolarHBondContact O-N 3.06Å
109	Q	92.3	Very high	93.5	Very high	135 Å²	135	55.5 Å²	55.5	63%	0.631	27%	0.273	S	S	*	.	H	α-helix	trans	-78.2	-37.7	-177.8	-174.3	175.4	-5.9	0	0	113.7	R105 E106 I107	R105-Q109 WeakPolarHBondContact O-CB 3.2Å; R105-Q109 PolarHBondContact O-N 2.95Å; E106-Q109 PolarHBondContact O-N 3.32Å; I107-Q109 PolarHBondContact O-N 2.97Å
110	Y	91.4	Very high	93.6	Very high	80 Å²	80	54.4 Å²	54.4	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-117.7	-19	-166.6	-59.6	-69.4	0	0	0	115	Q76 E106 I107	Q76-Y110 HydrophobicContact CB-CD1 4.46Å; Q76-Y110 HydrophobicContact CB-CD2 4.26Å; Q76-Y110 HydrophobicContact CB-CG 4.22Å; Q76-Y110 VanDerWaalsContact CD-CE2 3.41Å; Q76-Y110 HydrophobicContact CG-CD2 3.72Å; Q76-Y110 HydrophobicContact CG-CE2 3.75Å; Q76-Y110 HydrophobicContact CG-CG 4.19Å; Q76-Y110 VanDerWaalsContact NE2-CE2 3.34Å; E106-Y110 HydrophobicContact CB-CD2 4.39Å; E106-Y110 WeakPolarHBondContact O-CD2 3.43Å; E106-Y110 PolarHBondContact O-N 2.82Å; I107-Y110 PolarHBondContact O-N 2.7Å
111	A	91.8	Very high	93.7	Very high	14 Å²	14	54.3 Å²	54.3	12%	0.116	27%	0.265	C	S	.	.	S	Bend	trans	-88.3	168	179.4	0	0	0	0	0	112.3	L85 I107 V115	L85-A111 HydrophobicContact CD1-CB 4.21Å; I107-A111 HydrophobicContact CG2-CB 3.89Å; I107-A111 WeakPolarHBondContact O-CA 3.32Å; I107-A111 WeakPolarHBondContact O-CB 3.44Å; I107-A111 PolarHBondContact O-N 2.83Å; A111-V115 HydrophobicContact CB-CB 4.33Å; A111-V115 HydrophobicContact CB-CG1 3.76Å
112	S	88.9	Confident	93.8	Very high	54 Å²	54	51.9 Å²	51.9	38%	0.378	25%	0.249	S	C	.	.			trans	-73.5	143.1	170.7	175.7	0	0	0	0	110.4	K114 V115	S112-K114 PolarHBondContact O-N 2.84Å; S112-K114 PolarHBondContact OG-N 2.94Å; S112-V115 VanDerWaalsContact O-CB 3.29Å; S112-V115 WeakPolarHBondContact O-CB 3.24Å; S112-V115 WeakPolarHBondContact O-CG1 3.47Å; S112-V115 PolarHBondContact O-N 2.91Å
113	N	85.6	Confident	94	Very high	165 Å²	165	50.3 Å²	50.3	88%	0.882	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-12.8	173.7	-61.7	-0.9	0	0	0	113.8
114	K	88.7	Confident	94.2	Very high	154 Å²	154	52 Å²	52	67%	0.67	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	2	176.4	-59.9	-170.5	175.7	-165.5	0	113.4	S112 I116 N177	S112-K114 PolarHBondContact O-N 2.84Å; S112-K114 PolarHBondContact OG-N 2.94Å; K114-I116 PolarHBondContact O-N 3.11Å; K114-N177 PolarHBondContact NZ-OD1 3.36Å
115	V	94	Very high	94.4	Very high	24 Å²	24	53.4 Å²	53.4	15%	0.145	26%	0.257	C	S	.	.			trans	-68.9	131.5	-178.2	77.1	0	0	0	0	109.7	A82 L85 I107 A111 S112	A82-V115 HydrophobicContact CB-CG2 4.21Å; L85-V115 HydrophobicContact CD1-CG1 4.44Å; L85-V115 HydrophobicContact CD1-CG2 4.25Å; L85-V115 HydrophobicContact CG-CG2 3.78Å; I107-V115 HydrophobicContact CG2-CG1 4.12Å; A111-V115 HydrophobicContact CB-CB 4.33Å; A111-V115 HydrophobicContact CB-CG1 3.76Å; S112-V115 VanDerWaalsContact O-CB 3.29Å; S112-V115 WeakPolarHBondContact O-CB 3.24Å; S112-V115 WeakPolarHBondContact O-CG1 3.47Å; S112-V115 PolarHBondContact O-N 2.91Å
116	I	95.9	Very high	94.5	Very high	17 Å²	17	49 Å²	49	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.9	172.5	-57.8	-178.2	0	0	0	108	N83 A84 L85 K114 V118 L166 R169 L170 E173	N83-I116 PolarHBondContact O-N 2.95Å; N83-I116 VanDerWaalsContact O-N 3.11Å; A84-I116 CarbonylContact C-O 3.49Å; A84-I116 WeakPolarHBondContact CA-O 3.11Å; A84-I116 HydrophobicContact CB-CB 4.19Å; A84-I116 WeakPolarHBondContact CB-O 3.34Å; L85-I116 PolarHBondContact N-O 3.33Å; K114-I116 PolarHBondContact O-N 3.11Å; I116-V118 HydrophobicContact CG2-CG1 4.24Å; I116-L166 HydrophobicContact CG2-CD1 3.95Å; I116-R169 HydrophobicContact CD1-CB 4.47Å; I116-R169 HydrophobicContact CD1-CG 4.05Å; I116-L170 HydrophobicContact CD1-CD2 3.5Å; I116-L170 VanDerWaalsContact CD1-CD2 3.5Å; I116-L170 HydrophobicContact CD1-CG 3.96Å; I116-L170 HydrophobicContact CG1-CD2 4.12Å; I116-E173 HydrophobicContact CD1-CG 3.8Å
117	T	96.3	Very high	94.8	Very high	24 Å²	24	50.8 Å²	50.8	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.9	173.9	-47.2	0	0	0	0	110	L85 L87 I107 M146	L85-T117 HydrophobicContact CB-CG2 4.16Å; L85-T117 WeakPolarHBondContact O-CA 3.25Å; L87-T117 HydrophobicContact CB-CG2 4.31Å; I107-T117 HydrophobicContact CD1-CG2 3.74Å; T117-M146 HydrophobicContact CG2-CE 3.33Å; T117-M146 HydrophobicContact CG2-SD 4.44Å
118	V	97.9	Very high	95	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.7	174.5	-55.9	0	0	0	0	110.3	L85 I86 L87 I116 Y147 L162 L166	L85-V118 PolarHBondContact O-N 3.06Å; I86-V118 HydrophobicContact CB-CG2 4.14Å; I86-V118 HydrophobicContact CG1-CG2 3.74Å; I86-V118 HydrophobicContact CG2-CG2 4.23Å; L87-V118 PolarHBondContact N-O 3.1Å; I116-V118 HydrophobicContact CG2-CG1 4.24Å; V118-Y147 CarbonylContact C-O 3.5Å; V118-Y147 WeakPolarHBondContact CA-O 3.47Å; V118-Y147 HydrophobicContact CB-CD1 4.42Å; V118-Y147 HydrophobicContact CG1-CD1 4.17Å; V118-L162 HydrophobicContact CG2-CD1 4.17Å; V118-L166 HydrophobicContact CG1-CD1 3.9Å; V118-L166 HydrophobicContact CG2-CD2 4.44Å
119	L	98.6	Very high	95.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.6	176.9	-175.5	65.4	0	0	0	110	L87 Y89 L100 F140 M146 Y147 Y148 L149	L87-L119 HydrophobicContact CD2-CD1 4.33Å; L87-L119 HydrophobicContact CG-CD1 4.2Å; L87-L119 CarbonylContact O-C 3.5Å; L87-L119 WeakPolarHBondContact O-CA 3.16Å; Y89-L119 HydrophobicContact CD1-CD1 3.95Å; Y89-L119 HydrophobicContact CD1-CG 4.35Å; Y89-L119 HydrophobicContact CE1-CD1 4.29Å; Y89-L119 HydrophobicContact CE1-CD2 4.36Å; Y89-L119 HydrophobicContact CE1-CG 4.2Å; L100-L119 HydrophobicContact CD1-CD1 3.8Å; L100-L119 HydrophobicContact CD2-CD1 3.81Å; L100-L119 HydrophobicContact CG-CD1 4.47Å; L119-F140 HydrophobicContact CD2-CD1 3.84Å; L119-F140 HydrophobicContact CD2-CE1 4.31Å; L119-M146 HydrophobicContact CB-CE 3.95Å; L119-Y147 PolarHBondContact N-O 2.9Å; L119-Y148 HydrophobicContact CB-CD2 4.11Å; L119-Y148 HydrophobicContact CD2-CD2 3.86Å; L119-Y148 HydrophobicContact CD2-CE2 4.37Å; L119-Y148 HydrophobicContact CG-CD2 3.9Å; L119-Y148 HydrophobicContact CG-CE2 4.47Å; L119-Y148 WeakPolarHBondContact O-CA 3.27Å; L119-L149 PolarHBondContact O-N 3.47Å; L119-L149 VanDerWaalsContact O-N 3.07Å
120	V	98.8	Very high	95.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119	178.5	178.3	0	0	0	0	110.9	L25 I86 L87 T88 Y89 L149 T151 L162	L25-V120 HydrophobicContact CD1-CG1 4.17Å; I86-V120 HydrophobicContact CG2-CB 4.27Å; I86-V120 HydrophobicContact CG2-CG2 3.58Å; L87-V120 PolarHBondContact O-N 2.86Å; T88-V120 WeakPolarHBondContact CA-O 3.36Å; T88-V120 HydrophobicContact CG2-CB 4.38Å; T88-V120 HydrophobicContact CG2-CG1 4.31Å; Y89-V120 VanDerWaalsContact CD1-O 3.27Å; Y89-V120 WeakPolarHBondContact CD1-O 3.25Å; Y89-V120 PolarHBondContact N-O 3.27Å; V120-L149 VanDerWaalsContact CA-O 3.3Å; V120-L149 WeakPolarHBondContact CA-O 3.42Å; V120-T151 HydrophobicContact CG1-CG2 3.8Å; V120-T151 VanDerWaalsContact CG1-OG1 3.28Å; V120-T151 WeakPolarHBondContact CG1-OG1 3.32Å; V120-L162 HydrophobicContact CG1-CD2 4.39Å; V120-L162 HydrophobicContact CG2-CD1 3.53Å; V120-L162 HydrophobicContact CG2-CD2 3.76Å; V120-L162 HydrophobicContact CG2-CG 4.3Å
121	G	98.7	Very high	95.9	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	102.3	168.6	0	0	0	0	0	110.4	Y89 L149 E150 T151	Y89-G121 VanDerWaalsContact CZ-CA 3.49Å; G121-L149 PolarHBondContact N-O 3.25Å; G121-E150 CarbonylContact O-C 3.56Å; G121-E150 WeakPolarHBondContact O-CA 3.26Å; G121-T151 PolarHBondContact O-N 3.28Å
122	N	98.7	Very high	96.2	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	163.8	-175.4	-168.1	34.7	0	0	0	112.4	V20 L25 T88 Y89 I91 T151 A153	V20-N122 PolarHBondContact O-ND2 2.81Å; L25-N122 HydrophobicContact CD1-CB 4.42Å; T88-N122 HydrophobicContact CG2-CB 4Å; Y89-N122 PolarHBondContact O-N 3.03Å; I91-N122 WeakPolarHBondContact CG1-O 3.43Å; I91-N122 PolarHBondContact N-O 2.89Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 VanDerWaalsContact CA-O 3.32Å; N122-T151 WeakPolarHBondContact CA-O 3.37Å; N122-T151 PolarHBondContact OD1-O 3.41Å; N122-T151 PolarHBondContact OD1-OG1 3.26Å; N122-T151 VanDerWaalsContact OD1-OG1 3.07Å; N122-A153 PolarHBondContact OD1-N 2.76Å
123	K	98.2	Very high	96.7	Very high	49 Å²	49	56.5 Å²	56.5	21%	0.213	29%	0.289	C	S	.	.			trans	75.1	37.1	177.3	-44.2	-169.8	-164	169.7	0	115	G19 D90 D125 L126 T151	G19-K123 WeakPolarHBondContact O-CE 3.09Å; G19-K123 PolarHBondContact O-NZ 3.05Å; D90-K123 WeakPolarHBondContact OD1-CD 3.31Å; D90-K123 WeakPolarHBondContact OD2-CD 3.47Å; D90-K123 WeakPolarHBondContact OD2-CE 3.49Å; D90-K123 IonicContact OD2-NZ 2.73Å; D90-K123 PolarHBondContact OD2-NZ 2.93Å; K123-D125 WeakPolarHBondContact CA-OD1 3.18Å; K123-D125 PolarHBondContact O-N 2.9Å; K123-D125 VanDerWaalsContact O-N 3.16Å; K123-L126 HydrophobicContact CB-CD1 4.43Å; K123-L126 HydrophobicContact CD-CD1 4.5Å; K123-L126 WeakPolarHBondContact O-CB 3.42Å; K123-L126 PolarHBondContact O-N 2.81Å; K123-T151 PolarHBondContact N-O 2.57Å
124	I	98.4	Very high	97.2	Very high	36 Å²	36	54 Å²	54	19%	0.185	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63	-16.5	174.6	61.7	-175.6	0	0	0	114.7	I91 L126 A127 E150 T151 D157	I91-I124 HydrophobicContact CD1-CG2 4.16Å; I124-L126 PolarHBondContact O-N 2.58Å; I124-L126 VanDerWaalsContact O-N 3.1Å; I124-A127 WeakPolarHBondContact O-CB 3.28Å; I124-A127 PolarHBondContact O-N 2.99Å; I124-E150 HydrophobicContact CD1-CB 4.44Å; I124-E150 HydrophobicContact CG2-CB 3.5Å; I124-E150 HydrophobicContact CG2-CG 4.2Å; I124-E150 WeakPolarHBondContact CG2-OE2 3.39Å; I124-T151 PolarHBondContact N-O 3.12Å; I124-D157 HydrophobicContact CD1-CB 3.82Å; I124-D157 HydrophobicContact CG1-CB 4.39Å
125	D	98	Very high	97.6	Very high	47 Å²	47	53.1 Å²	53.1	25%	0.251	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-60.9	-13.9	167.8	57.8	-77.4	0	0	0	113.2	K123 S152 K154 E155	K123-D125 WeakPolarHBondContact CA-OD1 3.18Å; K123-D125 PolarHBondContact O-N 2.9Å; K123-D125 VanDerWaalsContact O-N 3.16Å; D125-S152 VanDerWaalsContact CG-OG 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.03Å; D125-S152 PolarHBondContact OD1-OG 3.3Å; D125-K154 WeakPolarHBondContact OD2-CD 3.27Å; D125-E155 HydrophobicContact CB-CG 3.67Å
126	L	97.3	Very high	97.8	Very high	59 Å²	59	56.4 Å²	56.4	31%	0.309	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-110.2	31.6	174.6	-55.9	178.8	0	0	0	112.2	T92 K123 I124 D128 K129	T92-L126 HydrophobicContact CG2-CB 3.59Å; T92-L126 HydrophobicContact CG2-CD1 4.22Å; K123-L126 HydrophobicContact CB-CD1 4.43Å; K123-L126 HydrophobicContact CD-CD1 4.5Å; K123-L126 WeakPolarHBondContact O-CB 3.42Å; K123-L126 PolarHBondContact O-N 2.81Å; I124-L126 PolarHBondContact O-N 2.58Å; I124-L126 VanDerWaalsContact O-N 3.1Å; L126-D128 PolarHBondContact O-N 2.85Å; L126-K129 PolarHBondContact O-N 2.9Å
127	A	96.4	Very high	97.9	Very high	49 Å²	49	55.6 Å²	55.6	41%	0.405	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-52.4	-31.2	-177.9	0	0	0	0	0	114.2	I124 K129 R130	I124-A127 WeakPolarHBondContact O-CB 3.28Å; I124-A127 PolarHBondContact O-N 2.99Å; A127-K129 PolarHBondContact O-N 3.2Å; A127-R130 WeakPolarHBondContact O-CB 3.13Å; A127-R130 PolarHBondContact O-N 3.28Å; A127-R130 VanDerWaalsContact O-N 3.15Å
128	D	97.4	Very high	98	Very high	173 Å²	173	56.3 Å²	56.3	93%	0.925	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-65.9	-19.5	176.4	-62.6	-33.4	0	0	0	113.6	L126	L126-D128 PolarHBondContact O-N 2.85Å
129	K	97.8	Very high	98	Very high	147 Å²	147	61.1 Å²	61.1	64%	0.639	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-106	17.7	177.7	-60.1	-177.9	-179.3	179.2	0	112.2	T92 L126 A127 E131	T92-K129 WeakPolarHBondContact CA-O 3.48Å; T92-K129 WeakPolarHBondContact CB-O 3.49Å; T92-K129 HydrophobicContact CG2-CB 4.02Å; L126-K129 PolarHBondContact O-N 2.9Å; A127-K129 PolarHBondContact O-N 3.2Å; K129-E131 PolarHBondContact O-N 2.81Å
130	R	98.3	Very high	98	Very high	67 Å²	67	62.9 Å²	62.9	25%	0.253	31%	0.314	S	S	.	.			trans	-61.6	127.8	-178	176.5	-178	-72.3	-90.1	6	111	I91 A127 V132 E150	I91-R130 HydrophobicContact CD1-CB 4.34Å; I91-R130 HydrophobicContact CD1-CG 4.49Å; A127-R130 WeakPolarHBondContact O-CB 3.13Å; A127-R130 PolarHBondContact O-N 3.28Å; A127-R130 VanDerWaalsContact O-N 3.15Å; R130-V132 WeakPolarHBondContact CD-O 3.39Å; R130-V132 WeakPolarHBondContact CG-O 3.42Å; R130-V132 PolarHBondContact NH1-O 3.15Å; R130-E150 IonicContact CZ-OE1 3.83Å; R130-E150 VanDerWaalsContact CZ-OE1 3.3Å; R130-E150 IonicContact CZ-OE2 3.59Å; R130-E150 IonicContact NH1-OE1 2.86Å; R130-E150 PolarHBondContact NH1-OE1 2.62Å; R130-E150 IonicContact NH1-OE2 3.43Å; R130-E150 VanDerWaalsContact NH2-CD 3.3Å; R130-E150 IonicContact NH2-OE1 2.82Å; R130-E150 PolarHBondContact NH2-OE1 3.07Å; R130-E150 IonicContact NH2-OE2 3.3Å; R130-E150 PolarHBondContact NH2-OE2 2.86Å
131	E	98.4	Very high	97.9	Very high	114 Å²	114	63.3 Å²	63.3	53%	0.533	32%	0.317	S	S	.	.	S	Bend	trans	-102.9	-25.1	171.7	-60.9	-173.5	174.1	0	0	111.4	I91 T92 C93 E94 K129	I91-E131 PolarHBondContact O-N 3.38Å; T92-E131 VanDerWaalsContact O-CD 3.29Å; C93-E131 WeakPolarHBondContact CA-OE2 3.4Å; E94-E131 HydrophobicContact CB-CB 4.12Å; E94-E131 WeakPolarHBondContact CB-OE2 3.49Å; E94-E131 PolarHBondContact N-OE2 2.82Å; K129-E131 PolarHBondContact O-N 2.81Å
132	V	98.3	Very high	97.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-111	115.4	-179.8	-174.8	0	0	0	0	110.3	Y89 I91 F97 R130 A137	Y89-V132 HydrophobicContact CD2-CG2 4.46Å; Y89-V132 HydrophobicContact CE2-CB 3.96Å; Y89-V132 HydrophobicContact CE2-CG1 3.89Å; Y89-V132 HydrophobicContact CE2-CG2 4.12Å; I91-V132 PolarHBondContact O-N 2.74Å; F97-V132 HydrophobicContact CB-CG1 4.42Å; F97-V132 HydrophobicContact CB-CG2 3.68Å; F97-V132 HydrophobicContact CD1-CG1 4.17Å; F97-V132 HydrophobicContact CD2-CG1 3.69Å; F97-V132 HydrophobicContact CD2-CG2 4.43Å; F97-V132 HydrophobicContact CE1-CG1 4.37Å; F97-V132 HydrophobicContact CE2-CG1 3.92Å; F97-V132 HydrophobicContact CG-CG1 3.83Å; F97-V132 HydrophobicContact CG-CG2 3.99Å; F97-V132 HydrophobicContact CZ-CG1 4.25Å; R130-V132 WeakPolarHBondContact CD-O 3.39Å; R130-V132 WeakPolarHBondContact CG-O 3.42Å; R130-V132 PolarHBondContact NH1-O 3.15Å; V132-A137 HydrophobicContact CG1-CB 4.35Å
133	S	98.1	Very high	97.8	Very high	56 Å²	56	74.2 Å²	74.2	39%	0.392	38%	0.381	S	S	.	.			trans	-67	147.9	177.9	70.2	0	0	0	0	112.1	Q135 R136 A137	S133-Q135 PolarHBondContact O-N 2.98Å; S133-R136 PolarHBondContact O-N 2.81Å; S133-R136 VanDerWaalsContact OG-CB 3.26Å; S133-R136 WeakPolarHBondContact OG-CB 3.48Å; S133-R136 PolarHBondContact OG-N 3.33Å; S133-A137 PolarHBondContact O-N 2.94Å; S133-A137 VanDerWaalsContact O-N 3.15Å
134	Q	97	Very high	97.6	Very high	114 Å²	114	75.9 Å²	75.9	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-57.2	-40.9	175	-70.3	-179	-24.6	0	0	111.5	R136 A137 A138 E150	Q134-R136 PolarHBondContact O-N 2.66Å; Q134-A137 PolarHBondContact O-N 3.07Å; Q134-A138 WeakPolarHBondContact O-CB 3.45Å; Q134-A138 PolarHBondContact O-N 2.84Å; Q134-E150 WeakPolarHBondContact CG-OE2 3.46Å; Q134-E150 PolarHBondContact NE2-OE2 3.44Å
135	Q	97.9	Very high	97.4	Very high	134 Å²	134	81 Å²	81	63%	0.626	42%	0.417	S	S	*	.	H	α-helix	trans	-58.9	-48	177.3	-179.3	179.1	-2	0	0	111.7	S133 A137 A138 E139	S133-Q135 PolarHBondContact O-N 2.98Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; Q135-A137 PolarHBondContact O-N 3.5Å; Q135-A138 PolarHBondContact O-N 3.37Å; Q135-E139 HydrophobicContact CG-CG 4.39Å; Q135-E139 VanDerWaalsContact CG-OE1 3.27Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.28Å; Q135-E139 PolarHBondContact NE2-OE1 2.86Å; Q135-E139 WeakPolarHBondContact O-CB 3.49Å; Q135-E139 WeakPolarHBondContact O-CG 3.38Å; Q135-E139 PolarHBondContact O-N 2.87Å
136	R	97.9	Very high	97.3	Very high	93 Å²	93	79.7 Å²	79.7	35%	0.351	41%	0.41	S	S	.	.	H	α-helix	trans	-64.8	-38.8	-178.7	-178.2	176.7	173.3	-153.1	-4.3	112.3	E94 F97 S133 Q134 F140	E94-R136 IonicContact OE1-CZ 3.93Å; E94-R136 VanDerWaalsContact OE1-CZ 3.24Å; E94-R136 IonicContact OE1-NH1 3.89Å; E94-R136 PolarHBondContact OE1-NH1 3.25Å; E94-R136 IonicContact OE1-NH2 3.69Å; E94-R136 PolarHBondContact OE1-NH2 3.18Å; E94-R136 IonicContact OE2-CZ 2.97Å; E94-R136 IonicContact OE2-NH1 3.24Å; E94-R136 PolarHBondContact OE2-NH1 3.15Å; E94-R136 IonicContact OE2-NH2 2.7Å; F97-R136 HydrophobicContact CE1-CG 4.09Å; F97-R136 HydrophobicContact CZ-CG 4.29Å; S133-R136 PolarHBondContact O-N 2.81Å; S133-R136 VanDerWaalsContact OG-CB 3.26Å; S133-R136 WeakPolarHBondContact OG-CB 3.48Å; S133-R136 PolarHBondContact OG-N 3.33Å; Q134-R136 PolarHBondContact O-N 2.66Å; R136-F140 WeakPolarHBondContact O-CB 3.33Å; R136-F140 PolarHBondContact O-N 3.06Å
137	A	97.8	Very high	97.3	Very high	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-68.5	-39	176	0	0	0	0	0	112.1	Y89 F97 V132 S133 Q134 Q135 F140 S141 Y148	Y89-A137 HydrophobicContact CE1-CB 4.48Å; Y89-A137 WeakPolarHBondContact OH-CB 3.29Å; F97-A137 HydrophobicContact CE2-CB 3.9Å; F97-A137 HydrophobicContact CZ-CB 4.41Å; V132-A137 HydrophobicContact CG1-CB 4.35Å; S133-A137 PolarHBondContact O-N 2.94Å; S133-A137 VanDerWaalsContact O-N 3.15Å; Q134-A137 PolarHBondContact O-N 3.07Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; Q135-A137 PolarHBondContact O-N 3.5Å; A137-F140 PolarHBondContact O-N 2.93Å; A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 2.85Å; A137-S141 PolarHBondContact O-OG 3.41Å; A137-Y148 HydrophobicContact CB-CE1 3.96Å; A137-Y148 HydrophobicContact CB-CE2 3.9Å; A137-Y148 VanDerWaalsContact CB-CZ 3.45Å; A137-Y148 VanDerWaalsContact CB-OH 3.25Å; A137-Y148 WeakPolarHBondContact CB-OH 3.41Å
138	A	97.7	Very high	97.4	Very high	40 Å²	40	80.3 Å²	80.3	33%	0.331	40%	0.399	S	S	.	.	H	α-helix	trans	-62.3	-51	174.3	0	0	0	0	0	111.8	Q134 Q135 F140 S141 E142 Y148	Q134-A138 WeakPolarHBondContact O-CB 3.45Å; Q134-A138 PolarHBondContact O-N 2.84Å; Q135-A138 PolarHBondContact O-N 3.37Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.16Å; A138-S141 WeakPolarHBondContact CA-OG 3.17Å; A138-S141 PolarHBondContact O-N 2.87Å; A138-S141 VanDerWaalsContact O-N 3.12Å; A138-S141 PolarHBondContact O-OG 3.37Å; A138-E142 WeakPolarHBondContact O-CB 3.43Å; A138-E142 PolarHBondContact O-N 3.27Å; A138-Y148 HydrophobicContact CB-CD1 4.41Å
139	E	98.4	Very high	97.4	Very high	102 Å²	102	72.8 Å²	72.8	48%	0.477	36%	0.358	S	S	.	.	H	α-helix	trans	-56.6	-43.1	176.2	-73.5	169.9	-175.5	0	0	111.6	Q135 A143	Q135-E139 HydrophobicContact CG-CG 4.39Å; Q135-E139 VanDerWaalsContact CG-OE1 3.27Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.28Å; Q135-E139 PolarHBondContact NE2-OE1 2.86Å; Q135-E139 WeakPolarHBondContact O-CB 3.49Å; Q135-E139 WeakPolarHBondContact O-CG 3.38Å; Q135-E139 PolarHBondContact O-N 2.87Å; E139-A143 WeakPolarHBondContact O-CB 3.18Å; E139-A143 PolarHBondContact O-N 2.91Å
140	F	98.1	Very high	97.4	Very high	38 Å²	38	66.7 Å²	66.7	17%	0.167	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-47.7	175.2	176.8	-93.2	0	0	0	111.7	F97 L100 P101 L104 L119 R136 A137 A138 A143 Q144	F97-F140 HydrophobicContact CE2-CB 4.5Å; F97-F140 HydrophobicContact CZ-CB 3.75Å; F97-F140 HydrophobicContact CZ-CD1 4.35Å; F97-F140 HydrophobicContact CZ-CD2 4.49Å; F97-F140 AromaticContact CZ-CG 3.95Å; F97-F140 HydrophobicContact CZ-CG 3.95Å; L100-F140 HydrophobicContact CB-CE1 3.93Å; L100-F140 HydrophobicContact CB-CE2 4.48Å; L100-F140 HydrophobicContact CB-CZ 3.65Å; L100-F140 HydrophobicContact CD1-CD1 4.17Å; L100-F140 HydrophobicContact CD1-CE1 3.8Å; L100-F140 HydrophobicContact CD1-CZ 4.26Å; L100-F140 HydrophobicContact CG-CE1 4.48Å; P101-F140 HydrophobicContact CG-CE2 4.21Å; L104-F140 HydrophobicContact CD1-CE1 4.21Å; L104-F140 HydrophobicContact CD1-CZ 3.64Å; L119-F140 HydrophobicContact CD2-CD1 3.84Å; L119-F140 HydrophobicContact CD2-CE1 4.31Å; R136-F140 WeakPolarHBondContact O-CB 3.33Å; R136-F140 PolarHBondContact O-N 3.06Å; A137-F140 PolarHBondContact O-N 2.93Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.16Å; F140-A143 PolarHBondContact O-N 2.99Å; F140-Q144 HydrophobicContact CE1-CG 4.31Å; F140-Q144 HydrophobicContact CE2-CG 4.48Å; F140-Q144 HydrophobicContact CZ-CG 4.22Å; F140-Q144 WeakPolarHBondContact O-CG 3.39Å; F140-Q144 PolarHBondContact O-N 3.06Å
141	S	97.3	Very high	97.5	Very high	8 Å²	8	63.5 Å²	63.5	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-37.8	-179.3	61.6	0	0	0	0	113.4	A137 A138 Q144 D145 M146 Y148	A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 2.85Å; A137-S141 PolarHBondContact O-OG 3.41Å; A138-S141 WeakPolarHBondContact CA-OG 3.17Å; A138-S141 PolarHBondContact O-N 2.87Å; A138-S141 VanDerWaalsContact O-N 3.12Å; A138-S141 PolarHBondContact O-OG 3.37Å; S141-Q144 CarbonylContact O-C 3.58Å; S141-Q144 PolarHBondContact O-N 2.86Å; S141-D145 PolarHBondContact O-N 2.92Å; S141-M146 PolarHBondContact O-N 2.9Å; S141-Y148 VanDerWaalsContact OG-CB 3.31Å; S141-Y148 WeakPolarHBondContact OG-CB 3.33Å
142	E	97.4	Very high	97.5	Very high	156 Å²	156	58 Å²	58	73%	0.729	30%	0.295	S	S	*	.	H	α-helix	trans	-65	-43.3	176.4	-177.2	175.4	-148.9	0	0	110.7	A138 Q144 D145	A138-E142 WeakPolarHBondContact O-CB 3.43Å; A138-E142 PolarHBondContact O-N 3.27Å; E142-Q144 PolarHBondContact O-N 3.15Å; E142-Q144 VanDerWaalsContact O-N 3.14Å; E142-D145 PolarHBondContact O-N 3.07Å; E142-D145 VanDerWaalsContact O-N 3.09Å
143	A	97.1	Very high	97.4	Very high	76 Å²	76	58.2 Å²	58.2	63%	0.628	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-19.6	175.7	0	0	0	0	0	113.7	E139 F140	E139-A143 WeakPolarHBondContact O-CB 3.18Å; E139-A143 PolarHBondContact O-N 2.91Å; F140-A143 PolarHBondContact O-N 2.99Å
144	Q	95.4	Very high	97.3	Very high	84 Å²	84	59.8 Å²	59.8	39%	0.393	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	4.7	178	-58.5	-56.9	-64.4	0	0	113.2	L104 F140 S141 E142 M146	L104-Q144 HydrophobicContact CD1-CG 3.83Å; F140-Q144 HydrophobicContact CE1-CG 4.31Å; F140-Q144 HydrophobicContact CE2-CG 4.48Å; F140-Q144 HydrophobicContact CZ-CG 4.22Å; F140-Q144 WeakPolarHBondContact O-CG 3.39Å; F140-Q144 PolarHBondContact O-N 3.06Å; S141-Q144 CarbonylContact O-C 3.58Å; S141-Q144 PolarHBondContact O-N 2.86Å; E142-Q144 PolarHBondContact O-N 3.15Å; E142-Q144 VanDerWaalsContact O-N 3.14Å; Q144-M146 VanDerWaalsContact C-N 3.25Å; Q144-M146 HydrophobicContact CB-CG 3.79Å; Q144-M146 HydrophobicContact CB-SD 3.81Å; Q144-M146 WeakPolarHBondContact O-CG 3.29Å; Q144-M146 PolarHBondContact O-N 3.11Å
145	D	94.5	Very high	97.3	Very high	144 Å²	144	59.4 Å²	59.4	77%	0.77	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	41.2	-174.1	-165.4	28.2	0	0	0	113.4	S141 E142	S141-D145 PolarHBondContact O-N 2.92Å; E142-D145 PolarHBondContact O-N 3.07Å; E142-D145 VanDerWaalsContact O-N 3.09Å
146	M	95.4	Very high	97.3	Very high	20 Å²	20	55.5 Å²	55.5	10%	0.099	28%	0.282	C	S	.	.			trans	-106.5	138.7	-177.4	-65.7	-179.2	65.4	0	0	111.6	L87 L104 T117 L119 S141 Q144 Y148	L87-M146 HydrophobicContact CB-CE 4.45Å; L87-M146 HydrophobicContact CD2-CE 4.34Å; L104-M146 HydrophobicContact CD2-CE 4.4Å; L104-M146 HydrophobicContact CD2-SD 3.77Å; T117-M146 HydrophobicContact CG2-CE 3.33Å; T117-M146 HydrophobicContact CG2-SD 4.44Å; L119-M146 HydrophobicContact CB-CE 3.95Å; S141-M146 PolarHBondContact O-N 2.9Å; Q144-M146 VanDerWaalsContact C-N 3.25Å; Q144-M146 HydrophobicContact CB-CG 3.79Å; Q144-M146 HydrophobicContact CB-SD 3.81Å; Q144-M146 WeakPolarHBondContact O-CG 3.29Å; Q144-M146 PolarHBondContact O-N 3.11Å; M146-Y148 PolarHBondContact O-N 3.1Å
147	Y	96.4	Very high	97.3	Very high	78 Å²	78	54.6 Å²	54.6	31%	0.306	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132	165.8	177.7	-117.6	0	0	0	109.3	V118 L119 L149 D165	V118-Y147 CarbonylContact C-O 3.5Å; V118-Y147 WeakPolarHBondContact CA-O 3.47Å; V118-Y147 HydrophobicContact CB-CD1 4.42Å; V118-Y147 HydrophobicContact CG1-CD1 4.17Å; L119-Y147 PolarHBondContact N-O 2.9Å; Y147-L149 HydrophobicContact CE1-CB 4.21Å; Y147-L149 HydrophobicContact CE1-CD2 4.48Å; Y147-D165 PolarHBondContact OH-OD2 3.15Å
148	Y	98.1	Very high	97.3	Very high	42 Å²	42	57.5 Å²	57.5	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.1	-179.4	169.2	-121.9	0	0	0	111.5	Y89 L119 A137 A138 S141 M146 E150	Y89-Y148 HydrophobicContact CE1-CE2 4.08Å; Y89-Y148 PolarHBondContact OH-OH 2.95Å; Y89-Y148 VanDerWaalsContact OH-OH 3.06Å; L119-Y148 HydrophobicContact CB-CD2 4.11Å; L119-Y148 HydrophobicContact CD2-CD2 3.86Å; L119-Y148 HydrophobicContact CD2-CE2 4.37Å; L119-Y148 HydrophobicContact CG-CD2 3.9Å; L119-Y148 HydrophobicContact CG-CE2 4.47Å; L119-Y148 WeakPolarHBondContact O-CA 3.27Å; A137-Y148 HydrophobicContact CB-CE1 3.96Å; A137-Y148 HydrophobicContact CB-CE2 3.9Å; A137-Y148 VanDerWaalsContact CB-CZ 3.45Å; A137-Y148 VanDerWaalsContact CB-OH 3.25Å; A137-Y148 WeakPolarHBondContact CB-OH 3.41Å; A138-Y148 HydrophobicContact CB-CD1 4.41Å; S141-Y148 VanDerWaalsContact OG-CB 3.31Å; S141-Y148 WeakPolarHBondContact OG-CB 3.33Å; M146-Y148 PolarHBondContact O-N 3.1Å; Y148-E150 HydrophobicContact CE1-CG 4.29Å; Y148-E150 HydrophobicContact CE2-CG 4.1Å; Y148-E150 VanDerWaalsContact OH-CD 3.31Å; Y148-E150 WeakPolarHBondContact OH-CG 3.4Å; Y148-E150 PolarHBondContact OH-OE1 2.93Å
149	L	98.3	Very high	97.3	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140	175.9	-170.8	64.1	0	0	0	110.3	L119 V120 G121 Y147 T151 N158 K161 L162	L119-L149 PolarHBondContact O-N 3.47Å; L119-L149 VanDerWaalsContact O-N 3.07Å; V120-L149 VanDerWaalsContact CA-O 3.3Å; V120-L149 WeakPolarHBondContact CA-O 3.42Å; G121-L149 PolarHBondContact N-O 3.25Å; Y147-L149 HydrophobicContact CE1-CB 4.21Å; Y147-L149 HydrophobicContact CE1-CD2 4.48Å; L149-T151 HydrophobicContact CD2-CG2 4.5Å; L149-T151 HydrophobicContact CG-CG2 4.48Å; L149-N158 HydrophobicContact CD1-CB 4.29Å; L149-N158 HydrophobicContact CD2-CB 4Å; L149-N158 HydrophobicContact CG-CB 4.09Å; L149-K161 HydrophobicContact CD1-CD 4.43Å; L149-K161 HydrophobicContact CD2-CD 4.45Å; L149-K161 HydrophobicContact CD2-CG 4.4Å; L149-L162 HydrophobicContact CD2-CB 3.97Å; L149-L162 HydrophobicContact CD2-CD1 4.4Å
150	E	98.6	Very high	97.3	Very high	19 Å²	19	56.1 Å²	56.1	9%	0.089	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.4	168.9	-62.7	-163.5	137.1	0	0	111.7	G121 I124 R130 Q134 Y148 N158	G121-E150 CarbonylContact O-C 3.56Å; G121-E150 WeakPolarHBondContact O-CA 3.26Å; I124-E150 HydrophobicContact CD1-CB 4.44Å; I124-E150 HydrophobicContact CG2-CB 3.5Å; I124-E150 HydrophobicContact CG2-CG 4.2Å; I124-E150 WeakPolarHBondContact CG2-OE2 3.39Å; R130-E150 IonicContact CZ-OE1 3.83Å; R130-E150 VanDerWaalsContact CZ-OE1 3.3Å; R130-E150 IonicContact CZ-OE2 3.59Å; R130-E150 IonicContact NH1-OE1 2.86Å; R130-E150 PolarHBondContact NH1-OE1 2.62Å; R130-E150 IonicContact NH1-OE2 3.43Å; R130-E150 VanDerWaalsContact NH2-CD 3.3Å; R130-E150 IonicContact NH2-OE1 2.82Å; R130-E150 PolarHBondContact NH2-OE1 3.07Å; R130-E150 IonicContact NH2-OE2 3.3Å; R130-E150 PolarHBondContact NH2-OE2 2.86Å; Q134-E150 WeakPolarHBondContact CG-OE2 3.46Å; Q134-E150 PolarHBondContact NE2-OE2 3.44Å; Y148-E150 HydrophobicContact CE1-CG 4.29Å; Y148-E150 HydrophobicContact CE2-CG 4.1Å; Y148-E150 VanDerWaalsContact OH-CD 3.31Å; Y148-E150 WeakPolarHBondContact OH-CG 3.4Å; Y148-E150 PolarHBondContact OH-OE1 2.93Å; E150-N158 VanDerWaalsContact O-CB 3.28Å; E150-N158 WeakPolarHBondContact O-CB 3.4Å; E150-N158 PolarHBondContact O-ND2 3.11Å
151	T	98.7	Very high	97.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.2	-174	61.1	0	0	0	0	112.7	V120 G121 N122 K123 I124 L149 D157 N158 L162	V120-T151 HydrophobicContact CG1-CG2 3.8Å; V120-T151 VanDerWaalsContact CG1-OG1 3.28Å; V120-T151 WeakPolarHBondContact CG1-OG1 3.32Å; G121-T151 PolarHBondContact O-N 3.28Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 VanDerWaalsContact CA-O 3.32Å; N122-T151 WeakPolarHBondContact CA-O 3.37Å; N122-T151 PolarHBondContact OD1-O 3.41Å; N122-T151 PolarHBondContact OD1-OG1 3.26Å; N122-T151 VanDerWaalsContact OD1-OG1 3.07Å; K123-T151 PolarHBondContact N-O 2.57Å; I124-T151 PolarHBondContact N-O 3.12Å; L149-T151 HydrophobicContact CD2-CG2 4.5Å; L149-T151 HydrophobicContact CG-CG2 4.48Å; T151-D157 VanDerWaalsContact CA-O 3.31Å; T151-D157 WeakPolarHBondContact CA-O 3.48Å; T151-N158 HydrophobicContact CG2-CB 4Å; T151-L162 HydrophobicContact CG2-CD2 4.37Å
152	S	98.3	Very high	97.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.296	C	S	.	.			trans	-120.9	110.1	159.6	178.9	0	0	0	0	109.6	D125 K154 E155 S156 D157 V159	D125-S152 VanDerWaalsContact CG-OG 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.03Å; D125-S152 PolarHBondContact OD1-OG 3.3Å; S152-K154 PolarHBondContact O-N 2.89Å; S152-K154 PolarHBondContact OG-N 3.44Å; S152-E155 PolarHBondContact OG-N 3.47Å; S152-S156 CarbonylContact O-C 3.6Å; S152-S156 WeakPolarHBondContact O-CA 3.5Å; S152-S156 PolarHBondContact O-N 2.84Å; S152-D157 PolarHBondContact N-O 3.06Å; S152-D157 PolarHBondContact O-N 3.23Å; S152-V159 VanDerWaalsContact O-CG2 3.29Å; S152-V159 WeakPolarHBondContact O-CG2 3.37Å
153	A	97.4	Very high	97.3	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.1	168.6	0	0	0	0	0	112.5	C24 L25 R28 F34 N122	C24-A153 HydrophobicContact CB-CB 3.65Å; L25-A153 HydrophobicContact CD2-CB 3.88Å; L25-A153 HydrophobicContact CG-CB 4.1Å; R28-A153 PolarHBondContact NE-O 2.72Å; F34-A153 HydrophobicContact CD2-CB 4.31Å; F34-A153 WeakPolarHBondContact CD2-O 3.49Å; F34-A153 HydrophobicContact CE2-CB 4.41Å; N122-A153 PolarHBondContact OD1-N 2.76Å
154	K	96.6	Very high	97.4	Very high	89 Å²	89	50.1 Å²	50.1	39%	0.387	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-53.8	-176	-172.7	-168	172.8	-144.5	0	111.3	R28 F34 D125 S152	R28-K154 PolarHBondContact NH2-O 2.81Å; F34-K154 HydrophobicContact CD1-CG 4.22Å; F34-K154 HydrophobicContact CD2-CB 4.11Å; F34-K154 HydrophobicContact CE1-CB 4.48Å; F34-K154 HydrophobicContact CE1-CG 4.06Å; F34-K154 HydrophobicContact CE2-CB 3.91Å; F34-K154 HydrophobicContact CE2-CG 4.37Å; F34-K154 HydrophobicContact CG-CB 4.46Å; F34-K154 HydrophobicContact CG-CG 4.44Å; F34-K154 HydrophobicContact CZ-CB 4.11Å; F34-K154 HydrophobicContact CZ-CG 4.13Å; D125-K154 WeakPolarHBondContact OD2-CD 3.27Å; S152-K154 PolarHBondContact O-N 2.89Å; S152-K154 PolarHBondContact OG-N 3.44Å
155	E	96.8	Very high	97.4	Very high	106 Å²	106	49 Å²	49	50%	0.495	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4	-178.3	-54	-55.3	152.3	0	0	112.5	D125 S152 D157	D125-E155 HydrophobicContact CB-CG 3.67Å; S152-E155 PolarHBondContact OG-N 3.47Å; E155-D157 VanDerWaalsContact C-N 3.28Å; E155-D157 WeakPolarHBondContact CB-OD2 3.2Å
156	S	96.9	Very high	97.5	Very high	53 Å²	53	42.4 Å²	42.4	37%	0.371	21%	0.206	S	C	.	.			trans	74.8	8.8	-179.4	-37.1	0	0	0	0	115	R28 S152 N158 V159	R28-S156 VanDerWaalsContact CD-OG 3.29Å; R28-S156 WeakPolarHBondContact CD-OG 3.49Å; R28-S156 PolarHBondContact NE-OG 2.86Å; S152-S156 CarbonylContact O-C 3.6Å; S152-S156 WeakPolarHBondContact O-CA 3.5Å; S152-S156 PolarHBondContact O-N 2.84Å; S156-N158 PolarHBondContact O-N 3.11Å; S156-V159 PolarHBondContact O-N 3.43Å
157	D	98.3	Very high	97.6	Very high	73 Å²	73	41.4 Å²	41.4	39%	0.39	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	125.3	177.9	-62.3	-64.6	0	0	0	111.6	I124 T151 S152 E155 V159	I124-D157 HydrophobicContact CD1-CB 3.82Å; I124-D157 HydrophobicContact CG1-CB 4.39Å; T151-D157 VanDerWaalsContact CA-O 3.31Å; T151-D157 WeakPolarHBondContact CA-O 3.48Å; S152-D157 PolarHBondContact N-O 3.06Å; S152-D157 PolarHBondContact O-N 3.23Å; E155-D157 VanDerWaalsContact C-N 3.28Å; E155-D157 WeakPolarHBondContact CB-OD2 3.2Å; D157-V159 PolarHBondContact O-N 3.26Å
158	N	98.1	Very high	97.6	Very high	62 Å²	62	40.4 Å²	40.4	33%	0.332	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	6.9	177	-65.5	-37.2	0	0	0	116	L149 E150 T151 S156 L162	L149-N158 HydrophobicContact CD1-CB 4.29Å; L149-N158 HydrophobicContact CD2-CB 4Å; L149-N158 HydrophobicContact CG-CB 4.09Å; E150-N158 VanDerWaalsContact O-CB 3.28Å; E150-N158 WeakPolarHBondContact O-CB 3.4Å; E150-N158 PolarHBondContact O-ND2 3.11Å; T151-N158 HydrophobicContact CG2-CB 4Å; S156-N158 PolarHBondContact O-N 3.11Å; N158-L162 WeakPolarHBondContact O-CB 3.41Å; N158-L162 PolarHBondContact O-N 3.42Å
159	V	98.1	Very high	97.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-49.4	-177.9	179.6	0	0	0	0	110.8	L25 R28 F29 S152 S156 D157 L162 F163	L25-V159 HydrophobicContact CD2-CG1 4.35Å; L25-V159 HydrophobicContact CD2-CG2 3.85Å; R28-V159 HydrophobicContact CB-CG1 4.14Å; R28-V159 HydrophobicContact CG-CB 4.21Å; R28-V159 HydrophobicContact CG-CG1 3.88Å; R28-V159 HydrophobicContact CG-CG2 4.1Å; F29-V159 HydrophobicContact CB-CG1 3.97Å; S152-V159 VanDerWaalsContact O-CG2 3.29Å; S152-V159 WeakPolarHBondContact O-CG2 3.37Å; S156-V159 PolarHBondContact O-N 3.43Å; D157-V159 PolarHBondContact O-N 3.26Å; V159-L162 WeakPolarHBondContact O-CB 3.46Å; V159-L162 PolarHBondContact O-N 3.39Å; V159-F163 HydrophobicContact CG1-CE2 4.4Å; V159-F163 VanDerWaalsContact O-CD2 3.27Å; V159-F163 WeakPolarHBondContact O-CD2 3.4Å
160	E	97.1	Very high	97.3	Very high	110 Å²	110	42.9 Å²	42.9	51%	0.514	21%	0.214	S	C	.	.	H	α-helix	trans	-67.4	-42.8	178.3	-173.3	144.2	-128.6	0	0	111.3	K49 L162 F163 L164	K49-E160 IonicContact NZ-OE1 3.55Å; E160-L162 VanDerWaalsContact C-N 3.3Å; E160-L162 PolarHBondContact O-N 3.48Å; E160-F163 PolarHBondContact O-N 3.33Å; E160-L164 HydrophobicContact CG-CD1 3.62Å; E160-L164 HydrophobicContact CG-CG 4.04Å; E160-L164 VanDerWaalsContact O-CG 3.32Å; E160-L164 WeakPolarHBondContact O-CG 3.47Å; E160-L164 PolarHBondContact O-N 2.91Å
161	K	97.7	Very high	97.2	Very high	95 Å²	95	42.5 Å²	42.5	41%	0.413	21%	0.212	S	C	.	.	H	α-helix	trans	-52.2	-46.4	174.8	-176.6	-178.9	178.2	-167.4	0	112.2	L149 F163 L164 D165	L149-K161 HydrophobicContact CD1-CD 4.43Å; L149-K161 HydrophobicContact CD2-CD 4.45Å; L149-K161 HydrophobicContact CD2-CG 4.4Å; K161-F163 PolarHBondContact O-N 3.1Å; K161-L164 PolarHBondContact O-N 2.79Å; K161-D165 WeakPolarHBondContact CE-OD2 3.2Å; K161-D165 VanDerWaalsContact CG-OD2 3.26Å; K161-D165 WeakPolarHBondContact CG-OD2 3.49Å; K161-D165 VanDerWaalsContact O-CB 3.26Å; K161-D165 WeakPolarHBondContact O-CB 3.39Å; K161-D165 PolarHBondContact O-N 3.37Å
162	L	98.3	Very high	96.9	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-51.5	-52.4	178.4	172.5	61.6	0	0	0	112.5	I86 V118 V120 L149 T151 N158 V159 E160 L166	I86-L162 HydrophobicContact CD1-CD2 4.3Å; I86-L162 HydrophobicContact CD1-CG 4.4Å; I86-L162 HydrophobicContact CG2-CD2 4.23Å; V118-L162 HydrophobicContact CG2-CD1 4.17Å; V120-L162 HydrophobicContact CG1-CD2 4.39Å; V120-L162 HydrophobicContact CG2-CD1 3.53Å; V120-L162 HydrophobicContact CG2-CD2 3.76Å; V120-L162 HydrophobicContact CG2-CG 4.3Å; L149-L162 HydrophobicContact CD2-CB 3.97Å; L149-L162 HydrophobicContact CD2-CD1 4.4Å; T151-L162 HydrophobicContact CG2-CD2 4.37Å; N158-L162 WeakPolarHBondContact O-CB 3.41Å; N158-L162 PolarHBondContact O-N 3.42Å; V159-L162 WeakPolarHBondContact O-CB 3.46Å; V159-L162 PolarHBondContact O-N 3.39Å; E160-L162 VanDerWaalsContact C-N 3.3Å; E160-L162 PolarHBondContact O-N 3.48Å; L162-L166 VanDerWaalsContact O-CB 3.24Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 PolarHBondContact O-N 3.22Å
163	F	98	Very high	96.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-76.5	-34.3	-175.3	-70	-84.4	0	0	0	112.3	I12 L14 F29 L60 I62 I86 V159 E160 K161 A167	I12-F163 HydrophobicContact CD1-CD1 4.31Å; L14-F163 HydrophobicContact CD1-CE1 4.37Å; L14-F163 HydrophobicContact CD1-CZ 4.42Å; F29-F163 HydrophobicContact CB-CD2 3.65Å; F29-F163 HydrophobicContact CB-CE2 3.52Å; F29-F163 HydrophobicContact CB-CZ 4.29Å; F29-F163 HydrophobicContact CD1-CB 4.12Å; F29-F163 AromaticContact CD1-CD1 3.9Å; F29-F163 HydrophobicContact CD1-CD1 3.9Å; F29-F163 AromaticContact CD1-CD2 3.61Å; F29-F163 HydrophobicContact CD1-CD2 3.61Å; F29-F163 HydrophobicContact CD1-CE1 4.19Å; F29-F163 AromaticContact CD1-CE2 3.95Å; F29-F163 HydrophobicContact CD1-CE2 3.95Å; F29-F163 AromaticContact CD1-CG 3.6Å; F29-F163 HydrophobicContact CD1-CG 3.6Å; F29-F163 HydrophobicContact CD1-CZ 4.22Å; F29-F163 HydrophobicContact CD2-CB 3.95Å; F29-F163 AromaticContact CD2-CD2 3.57Å; F29-F163 HydrophobicContact CD2-CD2 3.57Å; F29-F163 HydrophobicContact CD2-CE2 4.35Å; F29-F163 AromaticContact CD2-CG 3.95Å; F29-F163 HydrophobicContact CD2-CG 3.95Å; F29-F163 HydrophobicContact CE1-CB 3.7Å; F29-F163 AromaticContact CE1-CD1 3.9Å; F29-F163 HydrophobicContact CE1-CD1 3.9Å; F29-F163 HydrophobicContact CE1-CD2 4.1Å; F29-F163 AromaticContact CE1-CG 3.64Å; F29-F163 HydrophobicContact CE1-CG 3.64Å; F29-F163 HydrophobicContact CE2-CB 3.52Å; F29-F163 HydrophobicContact CE2-CD2 4.08Å; F29-F163 AromaticContact CE2-CG 4Å; F29-F163 HydrophobicContact CE2-CG 4Å; F29-F163 HydrophobicContact CG-CB 4.23Å; F29-F163 HydrophobicContact CG-CD1 4.45Å; F29-F163 AromaticContact CG-CD2 3.31Å; F29-F163 HydrophobicContact CG-CD2 3.31Å; F29-F163 AromaticContact CG-CE2 3.69Å; F29-F163 HydrophobicContact CG-CE2 3.69Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.4Å; F29-F163 HydrophobicContact CZ-CB 3.37Å; F29-F163 HydrophobicContact CZ-CD1 4.47Å; F29-F163 HydrophobicContact CZ-CD2 4.31Å; F29-F163 AromaticContact CZ-CG 3.83Å; F29-F163 HydrophobicContact CZ-CG 3.83Å; L60-F163 HydrophobicContact CD1-CB 4.44Å; I62-F163 HydrophobicContact CD1-CD1 4.16Å; I62-F163 HydrophobicContact CD1-CE1 3.94Å; I62-F163 HydrophobicContact CG2-CE1 4.4Å; I86-F163 HydrophobicContact CD1-CD1 4.13Å; I86-F163 HydrophobicContact CD1-CE1 3.63Å; I86-F163 HydrophobicContact CD1-CZ 4.09Å; V159-F163 HydrophobicContact CG1-CE2 4.4Å; V159-F163 VanDerWaalsContact O-CD2 3.27Å; V159-F163 WeakPolarHBondContact O-CD2 3.4Å; E160-F163 PolarHBondContact O-N 3.33Å; K161-F163 PolarHBondContact O-N 3.1Å; F163-A167 WeakPolarHBondContact O-CB 2.89Å; F163-A167 PolarHBondContact O-N 2.94Å
164	L	97.3	Very high	96.3	Very high	55 Å²	55	49.5 Å²	49.5	29%	0.288	26%	0.255	S	S	.	.	H	α-helix	trans	-71.3	-44.9	178.3	-64.4	-177.3	0	0	0	112.1	V51 I53 E160 K161 L166 A167 C168	V51-L164 HydrophobicContact CB-CD2 4.03Å; V51-L164 HydrophobicContact CG1-CD2 4.13Å; V51-L164 HydrophobicContact CG2-CD2 4.09Å; I53-L164 HydrophobicContact CD1-CD2 4.28Å; I53-L164 HydrophobicContact CG1-CD2 4.33Å; E160-L164 HydrophobicContact CG-CD1 3.62Å; E160-L164 HydrophobicContact CG-CG 4.04Å; E160-L164 VanDerWaalsContact O-CG 3.32Å; E160-L164 WeakPolarHBondContact O-CG 3.47Å; E160-L164 PolarHBondContact O-N 2.91Å; K161-L164 PolarHBondContact O-N 2.79Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 2.7Å; L164-A167 PolarHBondContact O-N 3.3Å; L164-C168 WeakPolarHBondContact O-CB 3.2Å; L164-C168 PolarHBondContact O-N 3.13Å
165	D	96.8	Very high	95.9	Very high	61 Å²	61	50.7 Å²	50.7	33%	0.326	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-44	176.3	-71.3	-4.2	0	0	0	110.4	Y147 K161 C168 R169	Y147-D165 PolarHBondContact OH-OD2 3.15Å; K161-D165 WeakPolarHBondContact CE-OD2 3.2Å; K161-D165 VanDerWaalsContact CG-OD2 3.26Å; K161-D165 WeakPolarHBondContact CG-OD2 3.49Å; K161-D165 VanDerWaalsContact O-CB 3.26Å; K161-D165 WeakPolarHBondContact O-CB 3.39Å; K161-D165 PolarHBondContact O-N 3.37Å; D165-C168 PolarHBondContact O-N 3.35Å; D165-R169 PolarHBondContact O-N 2.94Å
166	L	97.3	Very high	95.3	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-45.3	177.3	-178.7	57.2	0	0	0	111.9	I12 A84 I86 I116 V118 L162 L164 C168 R169 L170	I12-L166 HydrophobicContact CD1-CD2 4.06Å; I12-L166 HydrophobicContact CG1-CD2 4.36Å; I12-L166 HydrophobicContact CG2-CD2 4.22Å; A84-L166 HydrophobicContact CB-CD1 3.76Å; A84-L166 HydrophobicContact CB-CD2 3.82Å; A84-L166 HydrophobicContact CB-CG 4.08Å; I86-L166 HydrophobicContact CD1-CD2 3.95Å; I86-L166 HydrophobicContact CG1-CD2 3.83Å; I116-L166 HydrophobicContact CG2-CD1 3.95Å; V118-L166 HydrophobicContact CG1-CD1 3.9Å; V118-L166 HydrophobicContact CG2-CD2 4.44Å; L162-L166 VanDerWaalsContact O-CB 3.24Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 PolarHBondContact O-N 3.22Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 2.7Å; L166-C168 VanDerWaalsContact C-N 3.34Å; L166-C168 PolarHBondContact O-N 3.38Å; L166-R169 PolarHBondContact O-N 2.99Å; L166-L170 HydrophobicContact CD1-CD1 4.38Å; L166-L170 HydrophobicContact CD1-CG 4.49Å; L166-L170 HydrophobicContact CG-CD1 4.12Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.08Å
167	A	96.9	Very high	94.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-41	176.3	0	0	0	0	0	111.6	I53 V58 L60 F163 L164 R169 L170 I171	I53-A167 HydrophobicContact CD1-CB 3.31Å; V58-A167 HydrophobicContact CG1-CB 4.38Å; L60-A167 HydrophobicContact CD2-CB 4.1Å; F163-A167 WeakPolarHBondContact O-CB 2.89Å; F163-A167 PolarHBondContact O-N 2.94Å; L164-A167 PolarHBondContact O-N 3.3Å; A167-R169 PolarHBondContact O-N 3.19Å; A167-L170 PolarHBondContact O-N 3.13Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.46Å; A167-I171 PolarHBondContact O-N 3.14Å
168	C	96.1	Very high	92.7	Very high	57 Å²	57	51.2 Å²	51.2	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-43.9	174.6	-171.3	0	0	0	0	112	I53 L164 D165 L166 L170 I171 S172	I53-C168 HydrophobicContact CG2-CB 4.35Å; L164-C168 WeakPolarHBondContact O-CB 3.2Å; L164-C168 PolarHBondContact O-N 3.13Å; D165-C168 PolarHBondContact O-N 3.35Å; L166-C168 VanDerWaalsContact C-N 3.34Å; L166-C168 PolarHBondContact O-N 3.38Å; C168-L170 VanDerWaalsContact C-N 3.34Å; C168-L170 PolarHBondContact O-N 3.25Å; C168-I171 PolarHBondContact O-N 3.46Å; C168-S172 PolarHBondContact O-N 3.03Å; C168-S172 VanDerWaalsContact O-N 3.12Å
169	R	95.2	Very high	90.8	Very high	101 Å²	101	53.4 Å²	53.4	38%	0.381	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-42.7	175.6	-163.1	-178.7	-178.9	178.8	3.5	111.3	I116 D165 L166 A167 I171 S172 E173	I116-R169 HydrophobicContact CD1-CB 4.47Å; I116-R169 HydrophobicContact CD1-CG 4.05Å; D165-R169 PolarHBondContact O-N 2.94Å; L166-R169 PolarHBondContact O-N 2.99Å; A167-R169 PolarHBondContact O-N 3.19Å; R169-I171 PolarHBondContact O-N 3.03Å; R169-S172 WeakPolarHBondContact O-CB 3.38Å; R169-S172 PolarHBondContact O-N 3.43Å; R169-E173 WeakPolarHBondContact O-CG 3.32Å; R169-E173 PolarHBondContact O-N 3.27Å
170	L	95.6	Very high	88.6	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-37.8	177.4	-73.4	167.4	0	0	0	113.2	F10 N83 A84 I116 L166 A167 C168 S172 E173 A174	F10-L170 HydrophobicContact CB-CD1 3.87Å; F10-L170 HydrophobicContact CD1-CB 3.93Å; F10-L170 HydrophobicContact CD1-CD1 4.26Å; F10-L170 HydrophobicContact CD1-CD2 4.47Å; F10-L170 HydrophobicContact CD1-CG 4.48Å; F10-L170 HydrophobicContact CD2-CB 3.82Å; F10-L170 HydrophobicContact CD2-CD1 4.11Å; F10-L170 HydrophobicContact CE1-CB 3.8Å; F10-L170 HydrophobicContact CE2-CB 3.68Å; F10-L170 HydrophobicContact CG-CB 3.95Å; F10-L170 HydrophobicContact CG-CD1 3.82Å; F10-L170 HydrophobicContact CG-CG 4.42Å; F10-L170 VanDerWaalsContact CZ-C 3.5Å; F10-L170 HydrophobicContact CZ-CB 3.67Å; N83-L170 HydrophobicContact CB-CD2 3.87Å; A84-L170 HydrophobicContact CB-CD1 4.04Å; A84-L170 HydrophobicContact CB-CD2 4.37Å; I116-L170 HydrophobicContact CD1-CD2 3.5Å; I116-L170 VanDerWaalsContact CD1-CD2 3.5Å; I116-L170 HydrophobicContact CD1-CG 3.96Å; I116-L170 HydrophobicContact CG1-CD2 4.12Å; L166-L170 HydrophobicContact CD1-CD1 4.38Å; L166-L170 HydrophobicContact CD1-CG 4.49Å; L166-L170 HydrophobicContact CG-CD1 4.12Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.08Å; A167-L170 PolarHBondContact O-N 3.13Å; C168-L170 VanDerWaalsContact C-N 3.34Å; C168-L170 PolarHBondContact O-N 3.25Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-E173 PolarHBondContact O-N 2.82Å; L170-A174 VanDerWaalsContact O-CB 3.3Å; L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.29Å
171	I	95.3	Very high	86.2	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-45.8	172	-66.1	165.5	0	0	0	110.1	F8 F10 I53 V58 A167 C168 R169 A174 R175	F8-I171 HydrophobicContact CD2-CG1 4.02Å; F8-I171 HydrophobicContact CD2-CG2 4.46Å; F8-I171 HydrophobicContact CE2-CG1 4.29Å; F8-I171 HydrophobicContact CE2-CG2 3.88Å; F8-I171 HydrophobicContact CG-CG1 4.26Å; F8-I171 HydrophobicContact CZ-CG2 3.98Å; F10-I171 HydrophobicContact CE2-CG1 3.83Å; F10-I171 HydrophobicContact CZ-CG1 4.19Å; I53-I171 HydrophobicContact CB-CD1 4.09Å; I53-I171 HydrophobicContact CD1-CD1 4.36Å; I53-I171 HydrophobicContact CG2-CD1 4.09Å; V58-I171 HydrophobicContact CG2-CD1 3.56Å; V58-I171 HydrophobicContact CG2-CG1 4.09Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.46Å; A167-I171 PolarHBondContact O-N 3.14Å; C168-I171 PolarHBondContact O-N 3.46Å; R169-I171 PolarHBondContact O-N 3.03Å; I171-A174 PolarHBondContact O-N 3.34Å; I171-R175 HydrophobicContact CG2-CG 4.49Å; I171-R175 WeakPolarHBondContact O-CB 3.25Å; I171-R175 WeakPolarHBondContact O-CG 3.46Å; I171-R175 PolarHBondContact O-N 3.33Å
172	S	93.6	Very high	83.7	Confident	54 Å²	54	60.4 Å²	60.4	38%	0.378	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-48.6	177.8	-176.7	0	0	0	0	111.5	C168 R169 L170 A174 R175 Q176	C168-S172 PolarHBondContact O-N 3.03Å; C168-S172 VanDerWaalsContact O-N 3.12Å; R169-S172 WeakPolarHBondContact O-CB 3.38Å; R169-S172 PolarHBondContact O-N 3.43Å; L170-S172 VanDerWaalsContact C-N 3.33Å; S172-A174 PolarHBondContact O-N 3.03Å; S172-R175 PolarHBondContact O-N 2.65Å; S172-Q176 WeakPolarHBondContact O-CG 3.43Å; S172-Q176 PolarHBondContact O-N 3.41Å
173	E	91.4	Very high	81.1	Confident	70 Å²	70	66 Å²	66	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-42.5	177.2	-70.6	-57.7	150.1	0	0	112.4	I116 R169 L170 R175 Q176 N177	I116-E173 HydrophobicContact CD1-CG 3.8Å; R169-E173 WeakPolarHBondContact O-CG 3.32Å; R169-E173 PolarHBondContact O-N 3.27Å; L170-E173 PolarHBondContact O-N 2.82Å; E173-R175 VanDerWaalsContact C-N 3.34Å; E173-R175 PolarHBondContact O-N 3.2Å; E173-Q176 PolarHBondContact O-N 3.34Å; E173-N177 WeakPolarHBondContact O-CB 3.29Å; E173-N177 PolarHBondContact O-N 3.2Å; E173-N177 PolarHBondContact O-ND2 2.83Å
174	A	90.3	Very high	78.3	Confident	27 Å²	27	69.6 Å²	69.6	22%	0.223	38%	0.382	C	S	.	.	H	α-helix	trans	-62	-43.9	177.7	0	0	0	0	0	111.1	F8 F10 L170 I171 S172 N177 T178	F8-A174 HydrophobicContact CD1-CB 4.13Å; F8-A174 HydrophobicContact CE1-CB 3.81Å; F10-A174 HydrophobicContact CE1-CB 4.28Å; F10-A174 HydrophobicContact CZ-CB 4.3Å; L170-A174 VanDerWaalsContact O-CB 3.3Å; L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.29Å; I171-A174 PolarHBondContact O-N 3.34Å; S172-A174 PolarHBondContact O-N 3.03Å; A174-N177 PolarHBondContact O-N 3.19Å; A174-T178 PolarHBondContact O-N 2.87Å; A174-T178 PolarHBondContact O-OG1 2.93Å
175	R	90	Very high	75.4	Confident	114 Å²	114	71.8 Å²	71.8	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-64.4	-45.2	176.3	-73.2	175.9	175.5	179.5	-2.5	111.6	F8 E56 I171 S172 E173 N177 T178 L179	F8-R175 HydrophobicContact CZ-CG 4.32Å; E56-R175 IonicContact OE1-NH2 2.89Å; E56-R175 PolarHBondContact OE1-NH2 3.14Å; E56-R175 IonicContact OE2-NH2 3.6Å; I171-R175 HydrophobicContact CG2-CG 4.49Å; I171-R175 WeakPolarHBondContact O-CB 3.25Å; I171-R175 WeakPolarHBondContact O-CG 3.46Å; I171-R175 PolarHBondContact O-N 3.33Å; S172-R175 PolarHBondContact O-N 2.65Å; E173-R175 VanDerWaalsContact C-N 3.34Å; E173-R175 PolarHBondContact O-N 3.2Å; R175-N177 PolarHBondContact O-N 3.03Å; R175-T178 PolarHBondContact O-N 2.78Å; R175-L179 WeakPolarHBondContact O-CB 3.37Å; R175-L179 VanDerWaalsContact O-CG 3.23Å; R175-L179 WeakPolarHBondContact O-CG 3.39Å; R175-L179 PolarHBondContact O-N 2.88Å
176	Q	83.4	Confident	72.4	Confident	102 Å²	102	74.6 Å²	74.6	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-44.6	177.5	-72.5	179.6	13	0	0	111.8	S172 E173 T178 L179 V180	S172-Q176 WeakPolarHBondContact O-CG 3.43Å; S172-Q176 PolarHBondContact O-N 3.41Å; E173-Q176 PolarHBondContact O-N 3.34Å; Q176-T178 VanDerWaalsContact C-N 3.33Å; Q176-T178 PolarHBondContact O-N 3.07Å; Q176-L179 PolarHBondContact O-N 3.08Å; Q176-V180 VanDerWaalsContact O-CG2 3.23Å; Q176-V180 WeakPolarHBondContact O-CG2 3.44Å; Q176-V180 PolarHBondContact O-N 2.87Å
177	N	75.6	Confident	69.5	Low	60 Å²	60	82.2 Å²	82.2	32%	0.321	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-38.8	175.4	-77.5	-76.4	0	0	0	112.2	K114 E173 A174 R175 N181	K114-N177 PolarHBondContact NZ-OD1 3.36Å; E173-N177 WeakPolarHBondContact O-CB 3.29Å; E173-N177 PolarHBondContact O-N 3.2Å; E173-N177 PolarHBondContact O-ND2 2.83Å; A174-N177 PolarHBondContact O-N 3.19Å; R175-N177 PolarHBondContact O-N 3.03Å; N177-N181 VanDerWaalsContact O-CG 3.3Å; N177-N181 PolarHBondContact O-N 3.23Å; N177-N181 VanDerWaalsContact O-N 3.07Å; N177-N181 PolarHBondContact O-ND2 2.76Å
178	T	65.7	Low	66.4	Low	81 Å²	81	88.4 Å²	88.4	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-66.4	-39.5	174.5	-60.4	0	0	0	0	112	A174 R175 Q176 N181 N182	A174-T178 PolarHBondContact O-N 2.87Å; A174-T178 PolarHBondContact O-OG1 2.93Å; R175-T178 PolarHBondContact O-N 2.78Å; Q176-T178 VanDerWaalsContact C-N 3.33Å; Q176-T178 PolarHBondContact O-N 3.07Å; T178-N181 PolarHBondContact O-N 3.11Å; T178-N182 WeakPolarHBondContact O-CB 3.46Å; T178-N182 PolarHBondContact O-N 2.73Å; T178-N182 VanDerWaalsContact O-N 3.09Å; T178-N182 PolarHBondContact O-ND2 3.47Å
179	L	56.5	Low	63.9	Low	108 Å²	108	89.1 Å²	89.1	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-68	-41.3	176.6	-68.1	172.7	0	0	0	111.7	R175 Q176 N181 N182 V183	R175-L179 WeakPolarHBondContact O-CB 3.37Å; R175-L179 VanDerWaalsContact O-CG 3.23Å; R175-L179 WeakPolarHBondContact O-CG 3.39Å; R175-L179 PolarHBondContact O-N 2.88Å; Q176-L179 PolarHBondContact O-N 3.08Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-N181 PolarHBondContact O-N 3.25Å; L179-N182 CarbonylContact O-C 3.45Å; L179-N182 PolarHBondContact O-N 3.45Å; L179-N182 VanDerWaalsContact O-N 3.08Å; L179-V183 WeakPolarHBondContact O-CG2 3.3Å; L179-V183 PolarHBondContact O-N 2.96Å
180	V	53.6	Low	61	Low	101 Å²	101	93.6 Å²	93.6	61%	0.612	55%	0.546	S	S	*	.	H	α-helix	trans	-63.5	-38.9	176.1	174.8	0	0	0	0	111.2	Q176 N182 V183 A184	Q176-V180 VanDerWaalsContact O-CG2 3.23Å; Q176-V180 WeakPolarHBondContact O-CG2 3.44Å; Q176-V180 PolarHBondContact O-N 2.87Å; V180-N182 VanDerWaalsContact C-N 3.27Å; V180-N182 PolarHBondContact O-N 2.96Å; V180-V183 PolarHBondContact O-N 3.13Å; V180-A184 PolarHBondContact O-N 3.17Å
181	N	46.1	Very low	58	Low	127 Å²	127	96.6 Å²	96.6	68%	0.679	58%	0.579	S	S	*	*	H	α-helix	trans	-67.3	-27.2	173.7	-72	-21.2	0	0	0	113	N177 T178 L179	N177-N181 VanDerWaalsContact O-CG 3.3Å; N177-N181 PolarHBondContact O-N 3.23Å; N177-N181 VanDerWaalsContact O-N 3.07Å; N177-N181 PolarHBondContact O-ND2 2.76Å; T178-N181 PolarHBondContact O-N 3.11Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-N181 PolarHBondContact O-N 3.25Å
182	N	45.6	Very low	55.2	Low	127 Å²	127	106 Å²	106	68%	0.679	62%	0.619	S	S	*	*	H	α-helix	trans	-89.1	-9	176.7	-75.5	-22.9	0	0	0	114.1	T178 L179 V180	T178-N182 WeakPolarHBondContact O-CB 3.46Å; T178-N182 PolarHBondContact O-N 2.73Å; T178-N182 VanDerWaalsContact O-N 3.09Å; T178-N182 PolarHBondContact O-ND2 3.47Å; L179-N182 CarbonylContact O-C 3.45Å; L179-N182 PolarHBondContact O-N 3.45Å; L179-N182 VanDerWaalsContact O-N 3.08Å; V180-N182 VanDerWaalsContact C-N 3.27Å; V180-N182 PolarHBondContact O-N 2.96Å
183	V	42.7	Very low	52.3	Low	117 Å²	117	109.1 Å²	109.1	71%	0.709	64%	0.641	S	S	*	*			trans	-104	9.1	175.9	-176.6	0	0	0	0	111.4	L179 V180 S185	L179-V183 WeakPolarHBondContact O-CG2 3.3Å; L179-V183 PolarHBondContact O-N 2.96Å; V180-V183 PolarHBondContact O-N 3.13Å; V183-S185 VanDerWaalsContact C-N 3.31Å; V183-S185 PolarHBondContact O-N 3.34Å
184	A	39.4	Very low	49.8	Very low	76 Å²	76	112 Å²	112	63%	0.628	66%	0.658	S	S	*	*			trans	-65.3	95.2	161.5	0	0	0	0	0	108.9	V180	V180-A184 PolarHBondContact O-N 3.17Å
185	S	36.4	Very low	46.9	Very low	101 Å²	101	115.3 Å²	115.3	71%	0.706	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-49	141	168.9	38.1	0	0	0	0	110.8	V183 L187	V183-S185 VanDerWaalsContact C-N 3.31Å; V183-S185 PolarHBondContact O-N 3.34Å; S185-L187 PolarHBondContact O-N 3.31Å
186	P	35.1	Very low	44.1	Very low	120 Å²	120	120.6 Å²	120.6	78%	0.779	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-60.4	132.6	-176.6	24.1	-32.1	0	0	0	110.4
187	L	34.4	Very low	41.9	Very low	165 Å²	165	123.1 Å²	123.1	86%	0.864	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.4	166.3	-74.2	164.2	0	0	0	108.6	S185 G189	S185-L187 PolarHBondContact O-N 3.31Å; L187-G189 PolarHBondContact O-N 3.06Å
188	P	31.8	Very low	40.2	Very low	131 Å²	131	126.5 Å²	126.5	85%	0.851	74%	0.74	S	S	*	*	S	Bend	trans	-73.2	116.8	172.9	-1.3	16	0	0	0	109
189	G	44.9	Very low	38.5	Very low	71 Å²	71	128.4 Å²	128.4	73%	0.732	76%	0.755	S	S	*	*			trans	101.8	73.5	165.6	0	0	0	0	0	114.8	L187	L187-G189 PolarHBondContact O-N 3.06Å
190	E	33.1	Very low	37.5	Very low	196 Å²	196	129.3 Å²	129.3	92%	0.916	77%	0.769	S	S	*	*			trans	-128.5	130.8	141.3	-78.6	-167.1	153	0	0	108.8
191	G	33.9	Very low	36.6	Very low	71 Å²	71	131.8 Å²	131.8	73%	0.732	78%	0.779	S	S	*	*			trans	-64.7	156.4	-163.9	0	0	0	0	0	113.9	S193	G191-S193 PolarHBondContact O-N 3.23Å
192	K	36	Very low	36.1	Very low	206 Å²	206	135.4 Å²	135.4	90%	0.896	79%	0.789	S	S	*	*			trans	-53.9	102.8	164.2	-68.4	-180	176	180	0	109.4
193	S	33.3	Very low	35.7	Very low	121 Å²	121	140 Å²	140	85%	0.846	81%	0.813	S	S	*	*			trans	-86.8	106.6	157.4	-71.6	0	0	0	0	107.5	G191 S195	G191-S193 PolarHBondContact O-N 3.23Å; S193-S195 PolarHBondContact O-N 3.1Å
194	I	37.4	Very low	35.4	Very low	131 Å²	131	141.2 Å²	141.2	67%	0.672	82%	0.819	S	S	*	*			trans	-55.3	128.4	-179.9	-68.7	165.1	0	0	0	109.8	Y196	I194-Y196 PolarHBondContact O-N 3.07Å
195	S	30.5	Very low	35.2	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	83%	0.829	S	S	*	*			trans	-64.2	115.3	166	51.2	0	0	0	0	109.9	S193 L197	S193-S195 PolarHBondContact O-N 3.1Å; S195-L197 PolarHBondContact O-N 3.47Å; S195-L197 VanDerWaalsContact O-N 3.16Å
196	Y	31.5	Very low	35.1	Very low	224 Å²	224	147.1 Å²	147.1	88%	0.878	84%	0.836	S	S	*	*			trans	-78.9	91.6	159.8	-72.4	-83	0	0	0	108.3	I194	I194-Y196 PolarHBondContact O-N 3.07Å
197	L	36.4	Very low	35.1	Very low	155 Å²	155	148.6 Å²	148.6	81%	0.812	84%	0.839	S	S	*	*			trans	-96.3	116	155.1	-94.2	154.8	0	0	0	107.5	S195	S195-L197 PolarHBondContact O-N 3.47Å; S195-L197 VanDerWaalsContact O-N 3.16Å
198	T	39.5	Very low	35.2	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	84%	0.837	S	S	*	*			trans	-48.7	130.4	165.3	-2.5	0	0	0	0	111
199	C	31.5	Very low	35.4	Very low	121 Å²	121	148.7 Å²	148.7	82%	0.818	84%	0.836	S	S	*	*			trans	-168.7	125.9	144.3	-110.3	0	0	0	0	113.4
200	C	34.1	Very low	34.7	Very low	126 Å²	126	154.3 Å²	154.3	85%	0.851	84%	0.844	S	S	*	*			trans	97.2	122.2	143.2	-61	0	0	0	0	121.6
201	N	36.1	Very low	34.9	Very low	154 Å²	154	151.1 Å²	151.1	82%	0.824	84%	0.838	S	S	*	*			trans	-54.3	156.3	167.4	-70.7	-26.2	0	0	0	115.5
202	F	35.7	Very low	34.9	Very low	202 Å²	202	157.8 Å²	157.8	89%	0.886	85%	0.847	S	S	*	*			trans	161.6	125.6	140.8	-94.9	-74.3	0	0	0	105.1
203	N	37.4	Very low	34.8	Very low	225 Å²	225	153.4 Å²	153.4	100%	1.203	84%	0.843	S	S	*	*			cis	-137.4	0	27.2	-79.8	-35.8	0	0	0	111.5

Retrieved 203 of 203 residues in 54.3 ms (Link to these results)

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