A0A5K4EDV2_SCHMA Loading...

Sugar phosphate phosphatase

Metal-dependent phosphatase that shows phosphatase activity against several substrates, including fructose-1-phosphate and fructose-6-phosphate. Its preference for fructose-1-phosphate, a strong glycating agent that causes DNA damage rather than a canonical yeast metabolite, suggests a damage-control function in hexose phosphate metabolism. Has also been shown to have O-methyltransferase activity that methylates glutamate residues of target proteins to form gamma-glutamyl methyl ester residues. Possibly methylates PCNA, suggesting it is involved in the DNA damage response.

AlphaFold DB , UniProt , Accession A0A5K4EDV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 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	31.5	Very low	46	Very low	226 Å²	226	105.2 Å²	105.2	100%	1.113	54%	0.543	S	S	*	.				0	110.4	0	-90.1	174.8	165.9	0	0	107.8	S3	M1-S3 PolarHBondContact O-N 3.4Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2	L	26.3	Very low	48.2	Very low	179 Å²	179	99.8 Å²	99.8	94%	0.937	52%	0.521	S	S	*	.			trans	-57.4	116	170.4	-75.4	158.4	0	0	0	107.3	L4	L2-L4 PolarHBondContact O-N 2.8Å
3	S	35.8	Very low	50.4	Low	105 Å²	105	92.8 Å²	92.8	73%	0.734	49%	0.485	S	S	*	.			trans	-65.5	105.5	175.4	60.4	0	0	0	0	107.5	M1	M1-S3 PolarHBondContact O-N 3.4Å; M1-S3 VanDerWaalsContact O-N 3.13Å
4	L	37	Very low	52.3	Low	108 Å²	108	87.1 Å²	87.1	57%	0.565	45%	0.454	S	S	*	.			trans	-53.7	135.2	167.2	-76.5	166.6	0	0	0	107.9	L2 Y8	L2-L4 PolarHBondContact O-N 2.8Å; L4-Y8 HydrophobicContact CB-CG 4.43Å; L4-Y8 HydrophobicContact CD2-CD2 4.34Å; L4-Y8 HydrophobicContact CD2-CG 4.24Å
5	P	37.9	Very low	53.8	Low	61 Å²	61	84.1 Å²	84.1	40%	0.396	45%	0.447	S	S	.	.			trans	-47.1	149.8	175	-29.1	32.7	0	0	0	111.6	Y7 Y8	P5-Y7 HydrophobicContact CB-CD2 3.35Å; P5-Y7 HydrophobicContact CB-CE2 3.64Å; P5-Y7 HydrophobicContact CB-CG 4.43Å; P5-Y7 HydrophobicContact CG-CD2 4.5Å; P5-Y7 PolarHBondContact O-N 3.24Å; P5-Y8 HydrophobicContact CB-CD2 3.95Å; P5-Y8 HydrophobicContact CB-CE2 4.36Å; P5-Y8 HydrophobicContact CG-CD2 3.95Å; P5-Y8 HydrophobicContact CG-CE2 4.06Å; P5-Y8 PolarHBondContact O-N 3.37Å
6	S	43.7	Very low	55.5	Low	65 Å²	65	78.8 Å²	78.8	46%	0.455	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-48	-33.7	-178.3	48.8	0	0	0	0	113.1	Y8 R9	S6-Y8 PolarHBondContact O-N 3.28Å; S6-R9 WeakPolarHBondContact O-CB 3.35Å; S6-R9 WeakPolarHBondContact O-CG 3.44Å; S6-R9 PolarHBondContact O-N 3.1Å
7	Y	43.7	Very low	56.9	Low	142 Å²	142	74.2 Å²	74.2	56%	0.557	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.7	178.1	-32	-70.3	0	0	0	113.8	P5	P5-Y7 HydrophobicContact CB-CD2 3.35Å; P5-Y7 HydrophobicContact CB-CE2 3.64Å; P5-Y7 HydrophobicContact CB-CG 4.43Å; P5-Y7 HydrophobicContact CG-CD2 4.5Å; P5-Y7 PolarHBondContact O-N 3.24Å
8	Y	50.3	Low	58.2	Low	105 Å²	105	70.3 Å²	70.3	41%	0.412	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-86.9	-8.8	178.7	-70	-79.1	0	0	0	113.3	L4 P5 S6 Y10 G11 I40	L4-Y8 HydrophobicContact CB-CG 4.43Å; L4-Y8 HydrophobicContact CD2-CD2 4.34Å; L4-Y8 HydrophobicContact CD2-CG 4.24Å; P5-Y8 HydrophobicContact CB-CD2 3.95Å; P5-Y8 HydrophobicContact CB-CE2 4.36Å; P5-Y8 HydrophobicContact CG-CD2 3.95Å; P5-Y8 HydrophobicContact CG-CE2 4.06Å; P5-Y8 PolarHBondContact O-N 3.37Å; S6-Y8 PolarHBondContact O-N 3.28Å; Y8-Y10 PolarHBondContact O-N 3.44Å; Y8-G11 PolarHBondContact O-N 2.88Å; Y8-G11 VanDerWaalsContact O-N 3.08Å; Y8-I40 HydrophobicContact CE1-CG2 4.46Å
9	R	59.8	Low	59.1	Low	122 Å²	122	67.1 Å²	67.1	46%	0.46	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	101.9	175.5	-60.9	-177.7	-173.7	179.5	2.3	106.3	S6	S6-R9 WeakPolarHBondContact O-CB 3.35Å; S6-R9 WeakPolarHBondContact O-CG 3.44Å; S6-R9 PolarHBondContact O-N 3.1Å
10	Y	72.6	Confident	60.1	Low	17 Å²	17	63.8 Å²	63.8	7%	0.067	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	29	-178.7	-16.9	-44.3	0	0	0	115.2	Y8 C12 T13 K14 G56 D57 H60	Y8-Y10 PolarHBondContact O-N 3.44Å; Y10-C12 PolarHBondContact O-N 3.3Å; Y10-T13 WeakPolarHBondContact O-CB 3.48Å; Y10-T13 PolarHBondContact O-N 3.31Å; Y10-K14 PolarHBondContact O-N 3.26Å; Y10-G56 VanDerWaalsContact CD2-C 3.44Å; Y10-G56 WeakPolarHBondContact CD2-O 3.1Å; Y10-G56 WeakPolarHBondContact CE2-O 3.47Å; Y10-D57 VanDerWaalsContact CE2-OD1 3.32Å; Y10-D57 WeakPolarHBondContact CE2-OD1 3.33Å; Y10-D57 PolarHBondContact OH-OD1 3.08Å; Y10-H60 HydrophobicContact CD1-CB 3.41Å; Y10-H60 VanDerWaalsContact CD1-CB 3.41Å; Y10-H60 AromaticContact CD1-CG 3.61Å; Y10-H60 AromaticContact CD1-ND1 3.53Å; Y10-H60 HydrophobicContact CD2-CB 4.33Å; Y10-H60 HydrophobicContact CE1-CB 2.85Å; Y10-H60 AromaticContact CE1-CD2 3.33Å; Y10-H60 WeakPolarHBondContact CE1-CD2 3.27Å; Y10-H60 AromaticContact CE1-CE1 3.6Å; Y10-H60 AromaticContact CE1-CG 2.79Å; Y10-H60 AromaticContact CE1-ND1 3.03Å; Y10-H60 WeakPolarHBondContact CE1-ND1 2.93Å; Y10-H60 AromaticContact CE1-NE2 3.8Å; Y10-H60 HydrophobicContact CE2-CB 3.7Å; Y10-H60 HydrophobicContact CG-CB 4.21Å; Y10-H60 AromaticContact CZ-CD2 3.48Å; Y10-H60 VanDerWaalsContact CZ-CD2 3.48Å; Y10-H60 AromaticContact CZ-CG 3.2Å; Y10-H60 AromaticContact CZ-ND1 3.93Å; Y10-H60 WeakPolarHBondContact OH-CB 3.33Å; Y10-H60 PolarHBondContact OH-CD2 3.15Å
11	G	67.5	Low	60.8	Low	27 Å²	27	62.2 Å²	62.2	28%	0.278	33%	0.331	S	S	.	.	H	α-helix	trans	-50.7	-41.1	172	0	0	0	0	0	113.1	Y8 K14 A15	Y8-G11 PolarHBondContact O-N 2.88Å; Y8-G11 VanDerWaalsContact O-N 3.08Å; G11-K14 PolarHBondContact O-N 3.32Å; G11-A15 WeakPolarHBondContact O-CB 3.46Å; G11-A15 PolarHBondContact O-N 2.89Å
12	C	71.8	Confident	62.4	Low	41 Å²	41	55.4 Å²	55.4	28%	0.277	30%	0.295	S	S	.	.	H	α-helix	trans	-68.2	-36.2	176.1	-66.5	0	0	0	0	113.1	Y10 A15 S16 L98 Y101	Y10-C12 PolarHBondContact O-N 3.3Å; C12-A15 PolarHBondContact O-N 3.43Å; C12-S16 WeakPolarHBondContact O-CB 3.31Å; C12-S16 PolarHBondContact O-N 3.49Å; C12-L98 HydrophobicContact CB-CD1 3.82Å; C12-Y101 HydrophobicContact CB-CD1 4.34Å; C12-Y101 HydrophobicContact CB-CG 4.18Å
13	T	77.1	Confident	64.4	Low	8 Å²	8	47.6 Å²	47.6	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-43.6	175.9	-54	0	0	0	0	110.9	Y10 S16 L17 L59 L271	Y10-T13 WeakPolarHBondContact O-CB 3.48Å; Y10-T13 PolarHBondContact O-N 3.31Å; T13-S16 PolarHBondContact O-N 3.38Å; T13-L17 PolarHBondContact O-N 2.77Å; T13-L59 HydrophobicContact CG2-CD2 4.05Å; T13-L271 HydrophobicContact CG2-CD1 4.01Å; T13-L271 HydrophobicContact CG2-CD2 3.85Å
14	K	76.7	Confident	65.7	Low	13 Å²	13	46.5 Å²	46.5	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-45.7	173.2	-71.5	177.7	178.1	176.1	0	110.6	Y10 G11 S16 L17 W18 V47 E48 I306	Y10-K14 PolarHBondContact O-N 3.26Å; G11-K14 PolarHBondContact O-N 3.32Å; K14-S16 PolarHBondContact O-N 3.06Å; K14-L17 WeakPolarHBondContact O-CB 3.45Å; K14-L17 PolarHBondContact O-N 3.13Å; K14-W18 PolarHBondContact O-N 3.04Å; K14-V47 HydrophobicContact CB-CG1 4.24Å; K14-V47 HydrophobicContact CD-CG1 4.01Å; K14-V47 HydrophobicContact CG-CG1 4.21Å; K14-E48 IonicContact NZ-OE1 2.86Å; K14-E48 PolarHBondContact NZ-OE1 3.46Å; K14-I306 HydrophobicContact CG-CD1 4.3Å
15	A	74.7	Confident	67.4	Low	42 Å²	42	45.1 Å²	45.1	35%	0.347	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-44.6	176.5	0	0	0	0	0	112.4	G11 C12 L17 W18 A19	G11-A15 WeakPolarHBondContact O-CB 3.46Å; G11-A15 PolarHBondContact O-N 2.89Å; C12-A15 PolarHBondContact O-N 3.43Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 2.97Å; A15-W18 PolarHBondContact O-N 3.5Å; A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 2.84Å
16	S	81.1	Confident	68.7	Low	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-37.6	175.6	162.7	0	0	0	0	112.8	C12 T13 K14 D95 K207	C12-S16 WeakPolarHBondContact O-CB 3.31Å; C12-S16 PolarHBondContact O-N 3.49Å; T13-S16 PolarHBondContact O-N 3.38Å; K14-S16 PolarHBondContact O-N 3.06Å; S16-D95 PolarHBondContact OG-OD1 3.34Å; S16-K207 VanDerWaalsContact O-CE 3.27Å; S16-K207 WeakPolarHBondContact O-CE 3.2Å; S16-K207 PolarHBondContact O-NZ 3.36Å; S16-K207 VanDerWaalsContact OG-CE 3.31Å; S16-K207 WeakPolarHBondContact OG-CE 3.36Å; S16-K207 PolarHBondContact OG-NZ 3.21Å
17	L	79.4	Confident	70.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-54.9	172.7	169.2	66.3	0	0	0	111.6	T13 K14 A15 A19 N20 L51 L271 R272 V273 I306	T13-L17 PolarHBondContact O-N 2.77Å; K14-L17 WeakPolarHBondContact O-CB 3.45Å; K14-L17 PolarHBondContact O-N 3.13Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 2.97Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.06Å; L17-N20 VanDerWaalsContact O-CB 3.26Å; L17-N20 WeakPolarHBondContact O-CB 3.43Å; L17-N20 PolarHBondContact O-N 3.48Å; L17-L51 HydrophobicContact CD2-CD2 3.46Å; L17-L51 VanDerWaalsContact CD2-CD2 3.46Å; L17-L271 HydrophobicContact CB-CB 4.38Å; L17-L271 VanDerWaalsContact CD1-C 3.49Å; L17-L271 HydrophobicContact CD1-CB 4.06Å; L17-R272 VanDerWaalsContact CD1-N 3.26Å; L17-V273 HydrophobicContact CD1-CG2 4.3Å; L17-I306 HydrophobicContact CD2-CD1 4.24Å; L17-I306 HydrophobicContact CD2-CG1 3.72Å
18	W	80.5	Confident	71.1	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-81.1	-12.4	-170.7	-64.6	109.3	0	0	0	114.1	K14 A15 N20 E21 F43 V47 Q50 L51 V273	K14-W18 PolarHBondContact O-N 3.04Å; A15-W18 PolarHBondContact O-N 3.5Å; W18-N20 PolarHBondContact O-N 2.9Å; W18-N20 VanDerWaalsContact O-N 3.11Å; W18-E21 HydrophobicContact CE3-CG 3.72Å; W18-E21 HydrophobicContact CZ3-CG 4.35Å; W18-E21 VanDerWaalsContact CZ3-OE1 3.3Å; W18-E21 WeakPolarHBondContact CZ3-OE1 3.27Å; W18-E21 WeakPolarHBondContact O-CB 3.28Å; W18-E21 WeakPolarHBondContact O-CG 3.44Å; W18-E21 PolarHBondContact O-N 3.46Å; W18-F43 HydrophobicContact CB-CZ 4.24Å; W18-V47 VanDerWaalsContact CD1-CG1 3.46Å; W18-V47 HydrophobicContact CD2-CG2 4.12Å; W18-V47 HydrophobicContact CG-CG2 3.75Å; W18-V47 HydrophobicContact CZ2-CG1 4.44Å; W18-Q50 HydrophobicContact CH2-CB 3.39Å; W18-Q50 HydrophobicContact CZ2-CB 3.81Å; W18-Q50 HydrophobicContact CZ3-CB 4.27Å; W18-L51 HydrophobicContact CZ2-CD2 3.99Å; W18-L51 HydrophobicContact CZ2-CG 4.08Å; W18-V273 HydrophobicContact CE3-CG2 4Å; W18-V273 HydrophobicContact CZ3-CG2 4.21Å
19	A	76.3	Confident	71.9	Confident	10 Å²	10	44.6 Å²	44.6	8%	0.083	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.9	-16.8	167	0	0	0	0	0	112.4	A15 L17 E21 F22 E91 A94	A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 2.84Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.06Å; A19-E21 PolarHBondContact O-N 2.82Å; A19-F22 WeakPolarHBondContact O-CD2 3.5Å; A19-F22 PolarHBondContact O-N 3.29Å; A19-E91 HydrophobicContact CB-CB 4.41Å; A19-A94 HydrophobicContact CB-CB 3.33Å
20	N	78.3	Confident	71.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-75.6	-3.7	171.3	-161.5	10.8	0	0	0	114.1	L17 W18 F22 D23 D86 N87 E91 G208 V273 K275	L17-N20 VanDerWaalsContact O-CB 3.26Å; L17-N20 WeakPolarHBondContact O-CB 3.43Å; L17-N20 PolarHBondContact O-N 3.48Å; W18-N20 PolarHBondContact O-N 2.9Å; W18-N20 VanDerWaalsContact O-N 3.11Å; N20-F22 PolarHBondContact O-N 3.33Å; N20-D23 WeakPolarHBondContact O-CB 3.25Å; N20-D23 PolarHBondContact O-N 2.94Å; N20-D86 PolarHBondContact ND2-OD2 3.13Å; N20-N87 PolarHBondContact OD1-ND2 2.93Å; N20-E91 PolarHBondContact OD1-OE2 2.92Å; N20-G208 WeakPolarHBondContact ND2-CA 3.46Å; N20-V273 HydrophobicContact CB-CB 4.34Å; N20-V273 HydrophobicContact CB-CG2 3.93Å; N20-K275 PolarHBondContact ND2-NZ 3.32Å; N20-K275 PolarHBondContact O-NZ 3.29Å; N20-K275 PolarHBondContact OD1-NZ 3.45Å
21	E	74.3	Confident	71.2	Confident	32 Å²	32	45.3 Å²	45.3	15%	0.15	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-71.4	-16.8	168.3	-66.9	-172.7	156.2	0	0	112.5	W18 A19 D23 H27 R46 V273	W18-E21 HydrophobicContact CE3-CG 3.72Å; W18-E21 HydrophobicContact CZ3-CG 4.35Å; W18-E21 VanDerWaalsContact CZ3-OE1 3.3Å; W18-E21 WeakPolarHBondContact CZ3-OE1 3.27Å; W18-E21 WeakPolarHBondContact O-CB 3.28Å; W18-E21 WeakPolarHBondContact O-CG 3.44Å; W18-E21 PolarHBondContact O-N 3.46Å; A19-E21 PolarHBondContact O-N 2.82Å; E21-D23 PolarHBondContact O-N 2.95Å; E21-H27 PolarHBondContact O-NE2 3.28Å; E21-R46 IonicContact OE1-CZ 2.72Å; E21-R46 IonicContact OE1-NH2 2.74Å; E21-R46 PolarHBondContact OE1-NH2 2.94Å; E21-R46 IonicContact OE2-CZ 2.66Å; E21-R46 IonicContact OE2-NH1 3.55Å; E21-R46 IonicContact OE2-NH2 2.97Å; E21-R46 PolarHBondContact OE2-NH2 3.3Å; E21-V273 HydrophobicContact CG-CG2 4.46Å
22	F	65.3	Low	70.8	Confident	83 Å²	83	48.2 Å²	48.2	36%	0.364	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-84.4	9.8	174.8	-63.5	-79.4	0	0	0	113.2	A19 N20 L24 F32 P90	A19-F22 WeakPolarHBondContact O-CD2 3.5Å; A19-F22 PolarHBondContact O-N 3.29Å; N20-F22 PolarHBondContact O-N 3.33Å; F22-L24 PolarHBondContact O-N 3.04Å; F22-F32 AromaticContact CD1-CD1 3.98Å; F22-F32 HydrophobicContact CD1-CD1 3.98Å; F22-F32 HydrophobicContact CD1-CE1 4.35Å; F22-P90 HydrophobicContact CB-CB 4.21Å; F22-P90 HydrophobicContact CB-CG 4.17Å; F22-P90 HydrophobicContact CD2-CB 4.04Å; F22-P90 HydrophobicContact CG-CB 4.14Å; F22-P90 HydrophobicContact CG-CG 4.27Å
23	D	68.6	Low	69.9	Low	14 Å²	14	54.2 Å²	54.2	8%	0.075	30%	0.302	C	S	.	.			trans	-60.5	134.2	177.6	-173.4	-45.2	0	0	0	111.4	N20 E21 S25 L26 H27 N87 K275	N20-D23 WeakPolarHBondContact O-CB 3.25Å; N20-D23 PolarHBondContact O-N 2.94Å; E21-D23 PolarHBondContact O-N 2.95Å; D23-S25 PolarHBondContact O-N 2.94Å; D23-S25 VanDerWaalsContact OD1-CB 3.27Å; D23-S25 WeakPolarHBondContact OD1-CB 3.42Å; D23-S25 PolarHBondContact OD1-N 3.08Å; D23-S25 PolarHBondContact OD1-OG 3.14Å; D23-L26 WeakPolarHBondContact O-CB 3.38Å; D23-L26 PolarHBondContact O-N 3.04Å; D23-H27 PolarHBondContact O-CD2 3.23Å; D23-N87 VanDerWaalsContact CG-ND2 3.29Å; D23-N87 PolarHBondContact OD2-ND2 3.42Å; D23-K275 IonicContact OD2-NZ 2.76Å; D23-K275 PolarHBondContact OD2-NZ 3.02Å
24	L	63.3	Low	68.9	Low	82 Å²	82	60.4 Å²	60.4	43%	0.429	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27	-177.7	-64.4	179.4	0	0	0	113.1	F22 L26 H27 F32 V122	F22-L24 PolarHBondContact O-N 3.04Å; L24-L26 PolarHBondContact O-N 3.19Å; L24-H27 CarbonylContact O-C 3.58Å; L24-H27 VanDerWaalsContact O-C 3.23Å; L24-H27 PolarHBondContact O-N 3.46Å; L24-F32 HydrophobicContact CD2-CZ 4.39Å; L24-V122 HydrophobicContact CD1-CG1 4.2Å
25	S	71.6	Confident	68	Low	80 Å²	80	64.7 Å²	64.7	56%	0.559	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.4	174.6	64.1	0	0	0	0	113.4	D23	D23-S25 PolarHBondContact O-N 2.94Å; D23-S25 VanDerWaalsContact OD1-CB 3.27Å; D23-S25 WeakPolarHBondContact OD1-CB 3.42Å; D23-S25 PolarHBondContact OD1-N 3.08Å; D23-S25 PolarHBondContact OD1-OG 3.14Å
26	L	65.9	Low	67.4	Low	47 Å²	47	70.2 Å²	70.2	25%	0.246	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-20.5	174.5	-64	179.1	0	0	0	112.9	D23 L24 P28 K275	D23-L26 WeakPolarHBondContact O-CB 3.38Å; D23-L26 PolarHBondContact O-N 3.04Å; L24-L26 PolarHBondContact O-N 3.19Å; L26-P28 VanDerWaalsContact C-CD 3.48Å; L26-K275 HydrophobicContact CD2-CD 4.49Å; L26-K275 HydrophobicContact CD2-CG 4.23Å; L26-K275 HydrophobicContact CG-CD 4.43Å
27	H	74.4	Confident	66.5	Low	52 Å²	52	73.4 Å²	73.4	24%	0.241	39%	0.385	C	S	.	.			trans	-130	63.4	-176.4	-52.6	-74.7	0	0	0	110.5	E21 D23 L24 D29 G30 D31 F32	E21-H27 PolarHBondContact O-NE2 3.28Å; D23-H27 PolarHBondContact O-CD2 3.23Å; L24-H27 CarbonylContact O-C 3.58Å; L24-H27 VanDerWaalsContact O-C 3.23Å; L24-H27 PolarHBondContact O-N 3.46Å; H27-D29 PolarHBondContact O-N 3.43Å; H27-D29 VanDerWaalsContact O-N 3.17Å; H27-G30 PolarHBondContact O-N 3.01Å; H27-D31 PolarHBondContact ND1-O 3.36Å; H27-F32 HydrophobicContact CB-CE1 4.36Å; H27-F32 AromaticContact CD2-CD1 3.96Å; H27-F32 AromaticContact CD2-CE1 3.95Å
28	P	64.2	Low	65.8	Low	108 Å²	108	81.1 Å²	81.1	70%	0.701	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.7	-176.2	25.3	-34.8	0	0	0	113	L26 G30	L26-P28 VanDerWaalsContact C-CD 3.48Å; P28-G30 VanDerWaalsContact C-N 3.33Å
29	D	66.7	Low	65.4	Low	155 Å²	155	86.5 Å²	86.5	83%	0.829	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.2	177.5	-60	-38.6	0	0	0	113.2	H27 D31	H27-D29 PolarHBondContact O-N 3.43Å; H27-D29 VanDerWaalsContact O-N 3.17Å; D29-D31 PolarHBondContact O-N 3.38Å
30	G	60.3	Low	65.1	Low	41 Å²	41	91.1 Å²	91.1	42%	0.423	47%	0.474	S	S	.	.			trans	74.1	6	-178.7	0	0	0	0	0	115.3	H27 P28 F32	H27-G30 PolarHBondContact O-N 3.01Å; P28-G30 VanDerWaalsContact C-N 3.33Å; G30-F32 VanDerWaalsContact O-CD2 3.26Å; G30-F32 WeakPolarHBondContact O-CD2 3.3Å; G30-F32 WeakPolarHBondContact O-CE2 3.44Å; G30-F32 PolarHBondContact O-N 2.81Å
31	D	57.2	Low	64.9	Low	113 Å²	113	93.4 Å²	93.4	60%	0.604	49%	0.49	S	S	*	.			trans	-84.3	106.5	-179.5	-161.7	16.1	0	0	0	110.9	H27 D29	H27-D31 PolarHBondContact ND1-O 3.36Å; D29-D31 PolarHBondContact O-N 3.38Å
32	F	59.1	Low	65.1	Low	87 Å²	87	94.7 Å²	94.7	38%	0.382	50%	0.498	S	S	.	.			trans	-94.3	99.3	177.1	-60	-82.9	0	0	0	109.4	F22 L24 H27 G30 Q34	F22-F32 AromaticContact CD1-CD1 3.98Å; F22-F32 HydrophobicContact CD1-CD1 3.98Å; F22-F32 HydrophobicContact CD1-CE1 4.35Å; L24-F32 HydrophobicContact CD2-CZ 4.39Å; H27-F32 HydrophobicContact CB-CE1 4.36Å; H27-F32 AromaticContact CD2-CD1 3.96Å; H27-F32 AromaticContact CD2-CE1 3.95Å; G30-F32 VanDerWaalsContact O-CD2 3.26Å; G30-F32 WeakPolarHBondContact O-CD2 3.3Å; G30-F32 WeakPolarHBondContact O-CE2 3.44Å; G30-F32 PolarHBondContact O-N 2.81Å; F32-Q34 VanDerWaalsContact C-N 3.3Å; F32-Q34 PolarHBondContact O-N 2.91Å
33	Q	53.4	Low	65.5	Low	167 Å²	167	93.5 Å²	93.5	78%	0.78	49%	0.492	S	S	*	.			trans	-71.1	91.4	165.7	-70.1	-169.4	0.1	0	0	109.2	I35	Q33-I35 PolarHBondContact O-N 3.33Å
34	Q	55.8	Low	65.7	Low	139 Å²	139	93.4 Å²	93.4	65%	0.65	49%	0.492	S	S	*	.			trans	-64.9	107.3	169.7	-77.7	-175.4	-4.9	0	0	108.6	F32 E36	F32-Q34 VanDerWaalsContact C-N 3.3Å; F32-Q34 PolarHBondContact O-N 2.91Å; Q34-E36 VanDerWaalsContact C-N 3.32Å; Q34-E36 PolarHBondContact O-N 2.87Å
35	I	58.6	Low	66.5	Low	103 Å²	103	95.5 Å²	95.5	53%	0.528	50%	0.498	S	S	.	.			trans	-73.6	97.2	162.5	-58.4	177.7	0	0	0	105.8	Q33 F37	Q33-I35 PolarHBondContact O-N 3.33Å; I35-F37 HydrophobicContact CB-CE2 4.03Å; I35-F37 HydrophobicContact CB-CZ 4.18Å; I35-F37 HydrophobicContact CG2-CD2 4.38Å; I35-F37 HydrophobicContact CG2-CE1 4.04Å; I35-F37 HydrophobicContact CG2-CE2 3.66Å; I35-F37 HydrophobicContact CG2-CZ 3.43Å; I35-F37 VanDerWaalsContact CG2-CZ 3.43Å; I35-F37 VanDerWaalsContact O-CD2 3.26Å; I35-F37 WeakPolarHBondContact O-CD2 3.33Å; I35-F37 VanDerWaalsContact O-CE2 3.3Å; I35-F37 WeakPolarHBondContact O-CE2 3.26Å
36	E	60.6	Low	67	Low	158 Å²	158	94.5 Å²	94.5	74%	0.738	48%	0.482	S	S	*	.			trans	-66.1	132	170.1	-68.5	-170.3	166	0	0	109.2	Q34	Q34-E36 VanDerWaalsContact C-N 3.32Å; Q34-E36 PolarHBondContact O-N 2.87Å
37	F	63.4	Low	67.7	Low	67 Å²	67	92.3 Å²	92.3	29%	0.294	47%	0.47	S	S	.	.			trans	-109.9	120.1	171.3	-67	-84.4	0	0	0	108.3	I35 Q39 D42 F43 R46	I35-F37 HydrophobicContact CB-CE2 4.03Å; I35-F37 HydrophobicContact CB-CZ 4.18Å; I35-F37 HydrophobicContact CG2-CD2 4.38Å; I35-F37 HydrophobicContact CG2-CE1 4.04Å; I35-F37 HydrophobicContact CG2-CE2 3.66Å; I35-F37 HydrophobicContact CG2-CZ 3.43Å; I35-F37 VanDerWaalsContact CG2-CZ 3.43Å; I35-F37 VanDerWaalsContact O-CD2 3.26Å; I35-F37 WeakPolarHBondContact O-CD2 3.33Å; I35-F37 VanDerWaalsContact O-CE2 3.3Å; I35-F37 WeakPolarHBondContact O-CE2 3.26Å; F37-Q39 PolarHBondContact O-N 3.39Å; F37-D42 HydrophobicContact CD1-CB 3.92Å; F37-F43 HydrophobicContact CB-CB 4.12Å; F37-F43 HydrophobicContact CD1-CB 4.13Å; F37-F43 VanDerWaalsContact CD1-N 3.29Å; F37-F43 HydrophobicContact CD2-CB 3.79Å; F37-F43 AromaticContact CD2-CD2 3.78Å; F37-F43 HydrophobicContact CD2-CD2 3.78Å; F37-F43 HydrophobicContact CD2-CG 4.25Å; F37-F43 HydrophobicContact CE2-CB 4.3Å; F37-F43 AromaticContact CE2-CD2 3.7Å; F37-F43 HydrophobicContact CE2-CD2 3.7Å; F37-F43 HydrophobicContact CG-CB 3.72Å; F37-F43 HydrophobicContact CZ-CD2 4.42Å; F37-R46 HydrophobicContact CE1-CB 4.24Å; F37-R46 HydrophobicContact CZ-CB 4.29Å; F37-R46 HydrophobicContact CZ-CG 4.41Å
38	D	63.4	Low	68.1	Low	162 Å²	162	93.8 Å²	93.8	87%	0.866	48%	0.477	S	S	*	.	S	Bend	trans	-60.6	-30.7	174.4	-65.8	-29.5	0	0	0	111.7
39	Q	72.2	Confident	69.1	Low	116 Å²	116	95.8 Å²	95.8	54%	0.542	48%	0.475	S	S	.	.	S	Bend	trans	-131.9	136.8	-178.7	-57.2	-174.2	0.2	0	0	111.4	F37 S41 D42 F43	F37-Q39 PolarHBondContact O-N 3.39Å; Q39-S41 WeakPolarHBondContact CB-OG 3.32Å; Q39-S41 PolarHBondContact O-N 3.49Å; Q39-S41 VanDerWaalsContact O-N 3.09Å; Q39-S41 PolarHBondContact OE1-OG 3.09Å; Q39-D42 PolarHBondContact O-N 2.94Å; Q39-F43 PolarHBondContact O-N 3.35Å
40	I	71.3	Confident	70.3	Confident	108 Å²	108	89.9 Å²	89.9	55%	0.554	44%	0.442	S	S	*	.	H	α-helix	trans	-53.1	-32.2	171.7	-67.8	173.7	0	0	0	111.3	Y8 D42 F43 I44	Y8-I40 HydrophobicContact CE1-CG2 4.46Å; I40-D42 VanDerWaalsContact C-N 3.31Å; I40-D42 PolarHBondContact O-N 3.42Å; I40-F43 PolarHBondContact O-N 3.43Å; I40-I44 HydrophobicContact CG2-CD1 3.68Å; I40-I44 HydrophobicContact CG2-CG1 4.23Å; I40-I44 VanDerWaalsContact O-CG1 3.26Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 2.86Å
41	S	74	Confident	71.8	Confident	48 Å²	48	88.6 Å²	88.6	34%	0.336	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-35.9	176.7	46.2	0	0	0	0	113.5	Q39 I44 K45	Q39-S41 WeakPolarHBondContact CB-OG 3.32Å; Q39-S41 PolarHBondContact O-N 3.49Å; Q39-S41 VanDerWaalsContact O-N 3.09Å; Q39-S41 PolarHBondContact OE1-OG 3.09Å; S41-I44 PolarHBondContact O-N 3.11Å; S41-K45 VanDerWaalsContact O-CG 3.28Å; S41-K45 WeakPolarHBondContact O-CG 3.28Å; S41-K45 PolarHBondContact O-N 3.04Å
42	D	77.1	Confident	73.6	Confident	58 Å²	58	83.8 Å²	83.8	31%	0.31	40%	0.4	S	S	.	.	H	α-helix	trans	-78.3	-35.5	-177.9	-63.7	-30	0	0	0	111.1	F37 Q39 I40 K45 R46	F37-D42 HydrophobicContact CD1-CB 3.92Å; Q39-D42 PolarHBondContact O-N 2.94Å; I40-D42 VanDerWaalsContact C-N 3.31Å; I40-D42 PolarHBondContact O-N 3.42Å; D42-K45 PolarHBondContact O-N 3.17Å; D42-K45 IonicContact OD1-NZ 3.68Å; D42-K45 PolarHBondContact OD1-NZ 3.19Å; D42-R46 PolarHBondContact O-N 2.98Å
43	F	74.3	Confident	75.4	Confident	58 Å²	58	80.3 Å²	80.3	25%	0.254	39%	0.386	S	S	.	.	H	α-helix	trans	-57	-49.6	166.3	174.6	-105.2	0	0	0	111.1	W18 F37 Q39 I40 K45 R46 V47	W18-F43 HydrophobicContact CB-CZ 4.24Å; F37-F43 HydrophobicContact CB-CB 4.12Å; F37-F43 HydrophobicContact CD1-CB 4.13Å; F37-F43 VanDerWaalsContact CD1-N 3.29Å; F37-F43 HydrophobicContact CD2-CB 3.79Å; F37-F43 AromaticContact CD2-CD2 3.78Å; F37-F43 HydrophobicContact CD2-CD2 3.78Å; F37-F43 HydrophobicContact CD2-CG 4.25Å; F37-F43 HydrophobicContact CE2-CB 4.3Å; F37-F43 AromaticContact CE2-CD2 3.7Å; F37-F43 HydrophobicContact CE2-CD2 3.7Å; F37-F43 HydrophobicContact CG-CB 3.72Å; F37-F43 HydrophobicContact CZ-CD2 4.42Å; Q39-F43 PolarHBondContact O-N 3.35Å; I40-F43 PolarHBondContact O-N 3.43Å; F43-K45 PolarHBondContact O-N 3.28Å; F43-R46 PolarHBondContact O-N 3.36Å; F43-V47 HydrophobicContact CD1-CG2 4.34Å; F43-V47 HydrophobicContact CD2-CG2 4.21Å; F43-V47 HydrophobicContact CE1-CG2 3.94Å; F43-V47 HydrophobicContact CE2-CG2 3.8Å; F43-V47 HydrophobicContact CG-CG2 4.48Å; F43-V47 HydrophobicContact CZ-CG2 3.66Å; F43-V47 WeakPolarHBondContact O-CB 3.5Å; F43-V47 VanDerWaalsContact O-CG2 3.31Å; F43-V47 WeakPolarHBondContact O-CG2 3.26Å; F43-V47 PolarHBondContact O-N 3.11Å
44	I	74	Confident	77.3	Confident	13 Å²	13	76.2 Å²	76.2	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-44.5	179.5	-69.5	167.7	0	0	0	111.4	I40 S41 V47 E48	I40-I44 HydrophobicContact CG2-CD1 3.68Å; I40-I44 HydrophobicContact CG2-CG1 4.23Å; I40-I44 VanDerWaalsContact O-CG1 3.26Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 2.86Å; S41-I44 PolarHBondContact O-N 3.11Å; I44-V47 WeakPolarHBondContact O-CB 3.45Å; I44-V47 PolarHBondContact O-N 3.49Å; I44-E48 HydrophobicContact CG2-CG 4.3Å; I44-E48 WeakPolarHBondContact CG2-OE1 3.42Å; I44-E48 WeakPolarHBondContact O-CB 3.38Å; I44-E48 WeakPolarHBondContact O-CG 3.39Å; I44-E48 PolarHBondContact O-N 3.28Å
45	K	79.4	Confident	79.1	Confident	125 Å²	125	70.8 Å²	70.8	54%	0.543	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-44.5	177.9	-73.9	171.9	-160.9	156.3	0	112.1	S41 D42 F43 E48 K49	S41-K45 VanDerWaalsContact O-CG 3.28Å; S41-K45 WeakPolarHBondContact O-CG 3.28Å; S41-K45 PolarHBondContact O-N 3.04Å; D42-K45 PolarHBondContact O-N 3.17Å; D42-K45 IonicContact OD1-NZ 3.68Å; D42-K45 PolarHBondContact OD1-NZ 3.19Å; F43-K45 PolarHBondContact O-N 3.28Å; K45-E48 PolarHBondContact O-N 3.11Å; K45-K49 PolarHBondContact O-N 2.81Å; K45-K49 VanDerWaalsContact O-N 3.1Å
46	R	82.2	Confident	80.7	Confident	60 Å²	60	65.9 Å²	65.9	23%	0.226	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-52.8	175.5	170.7	-170	158.8	-161.8	-9.5	109.9	E21 F37 D42 F43 E48 K49 Q50	E21-R46 IonicContact OE1-CZ 2.72Å; E21-R46 IonicContact OE1-NH2 2.74Å; E21-R46 PolarHBondContact OE1-NH2 2.94Å; E21-R46 IonicContact OE2-CZ 2.66Å; E21-R46 IonicContact OE2-NH1 3.55Å; E21-R46 IonicContact OE2-NH2 2.97Å; E21-R46 PolarHBondContact OE2-NH2 3.3Å; F37-R46 HydrophobicContact CE1-CB 4.24Å; F37-R46 HydrophobicContact CZ-CB 4.29Å; F37-R46 HydrophobicContact CZ-CG 4.41Å; D42-R46 PolarHBondContact O-N 2.98Å; F43-R46 PolarHBondContact O-N 3.36Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 2.87Å; R46-K49 WeakPolarHBondContact O-CB 3.4Å; R46-K49 PolarHBondContact O-N 2.58Å; R46-K49 VanDerWaalsContact O-N 3.12Å; R46-Q50 VanDerWaalsContact CG-OE1 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.45Å; R46-Q50 PolarHBondContact O-N 2.97Å; R46-Q50 VanDerWaalsContact O-N 3.08Å
47	V	80.3	Confident	82.2	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-54.8	-46.1	179.5	151.1	0	0	0	0	111.2	K14 W18 F43 I44 K49 Q50 L51	K14-V47 HydrophobicContact CB-CG1 4.24Å; K14-V47 HydrophobicContact CD-CG1 4.01Å; K14-V47 HydrophobicContact CG-CG1 4.21Å; W18-V47 VanDerWaalsContact CD1-CG1 3.46Å; W18-V47 HydrophobicContact CD2-CG2 4.12Å; W18-V47 HydrophobicContact CG-CG2 3.75Å; W18-V47 HydrophobicContact CZ2-CG1 4.44Å; F43-V47 HydrophobicContact CD1-CG2 4.34Å; F43-V47 HydrophobicContact CD2-CG2 4.21Å; F43-V47 HydrophobicContact CE1-CG2 3.94Å; F43-V47 HydrophobicContact CE2-CG2 3.8Å; F43-V47 HydrophobicContact CG-CG2 4.48Å; F43-V47 HydrophobicContact CZ-CG2 3.66Å; F43-V47 WeakPolarHBondContact O-CB 3.5Å; F43-V47 VanDerWaalsContact O-CG2 3.31Å; F43-V47 WeakPolarHBondContact O-CG2 3.26Å; F43-V47 PolarHBondContact O-N 3.11Å; I44-V47 WeakPolarHBondContact O-CB 3.45Å; I44-V47 PolarHBondContact O-N 3.49Å; V47-K49 VanDerWaalsContact C-N 3.32Å; V47-K49 PolarHBondContact O-N 3.21Å; V47-Q50 PolarHBondContact O-N 3.26Å; V47-L51 HydrophobicContact CG1-CD1 4.44Å; V47-L51 WeakPolarHBondContact O-CG 3.45Å; V47-L51 PolarHBondContact O-N 3.16Å; V47-L51 VanDerWaalsContact O-N 3.07Å
48	E	81.9	Confident	83.6	Confident	83 Å²	83	60.5 Å²	60.5	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-38	179.2	-77.2	177	178.6	0	0	112.4	K14 I44 K45 R46 Q50 L51	K14-E48 IonicContact NZ-OE1 2.86Å; K14-E48 PolarHBondContact NZ-OE1 3.46Å; I44-E48 HydrophobicContact CG2-CG 4.3Å; I44-E48 WeakPolarHBondContact CG2-OE1 3.42Å; I44-E48 WeakPolarHBondContact O-CB 3.38Å; I44-E48 WeakPolarHBondContact O-CG 3.39Å; I44-E48 PolarHBondContact O-N 3.28Å; K45-E48 PolarHBondContact O-N 3.11Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 2.87Å; E48-Q50 VanDerWaalsContact C-N 3.32Å; E48-Q50 PolarHBondContact O-N 3.1Å; E48-L51 PolarHBondContact O-N 3.18Å
49	K	86.8	Confident	85	Confident	150 Å²	150	53 Å²	53	65%	0.652	26%	0.26	S	S	*	.	H	α-helix	trans	-67	-33.1	175.2	-172.4	-179.8	177.6	-174.4	0	112.7	K45 R46 V47 R286	K45-K49 PolarHBondContact O-N 2.81Å; K45-K49 VanDerWaalsContact O-N 3.1Å; R46-K49 WeakPolarHBondContact O-CB 3.4Å; R46-K49 PolarHBondContact O-N 2.58Å; R46-K49 VanDerWaalsContact O-N 3.12Å; V47-K49 VanDerWaalsContact C-N 3.32Å; V47-K49 PolarHBondContact O-N 3.21Å; K49-R286 PolarHBondContact O-NH2 3.18Å
50	Q	91	Very high	85.9	Confident	30 Å²	30	49.4 Å²	49.4	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-86.1	-11.9	-177.7	-67.9	-178.5	-68.8	0	0	113.5	W18 R46 V47 E48 V52 K302 Y303 G304	W18-Q50 HydrophobicContact CH2-CB 3.39Å; W18-Q50 HydrophobicContact CZ2-CB 3.81Å; W18-Q50 HydrophobicContact CZ3-CB 4.27Å; R46-Q50 VanDerWaalsContact CG-OE1 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.45Å; R46-Q50 PolarHBondContact O-N 2.97Å; R46-Q50 VanDerWaalsContact O-N 3.08Å; V47-Q50 PolarHBondContact O-N 3.26Å; E48-Q50 VanDerWaalsContact C-N 3.32Å; E48-Q50 PolarHBondContact O-N 3.1Å; Q50-V52 PolarHBondContact O-N 3.05Å; Q50-K302 WeakPolarHBondContact CB-O 3.44Å; Q50-K302 VanDerWaalsContact CD-O 3.27Å; Q50-K302 WeakPolarHBondContact CG-O 2.91Å; Q50-K302 PolarHBondContact NE2-O 3.05Å; Q50-Y303 WeakPolarHBondContact O-CA 3.48Å; Q50-G304 PolarHBondContact O-N 2.89Å
51	L	92.5	Very high	86.8	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.9	172.1	-75.4	172.4	0	0	0	110.4	L17 W18 V47 E48 N54 G304 I306	L17-L51 HydrophobicContact CD2-CD2 3.46Å; L17-L51 VanDerWaalsContact CD2-CD2 3.46Å; W18-L51 HydrophobicContact CZ2-CD2 3.99Å; W18-L51 HydrophobicContact CZ2-CG 4.08Å; V47-L51 HydrophobicContact CG1-CD1 4.44Å; V47-L51 WeakPolarHBondContact O-CG 3.45Å; V47-L51 PolarHBondContact O-N 3.16Å; V47-L51 VanDerWaalsContact O-N 3.07Å; E48-L51 PolarHBondContact O-N 3.18Å; L51-N54 HydrophobicContact CB-CB 4.39Å; L51-N54 HydrophobicContact CD1-CB 4.21Å; L51-G304 CarbonylContact C-O 3.52Å; L51-G304 WeakPolarHBondContact CA-O 3.29Å; L51-I306 HydrophobicContact CD1-CD1 4.23Å; L51-I306 HydrophobicContact CD2-CD1 4.3Å; L51-I306 HydrophobicContact CD2-CG1 3.99Å
52	V	95	Very high	87.7	Confident	13 Å²	13	49.5 Å²	49.5	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-35.5	178	177.4	0	0	0	0	110.9	Q50 V282 R286 L290 W297 Y303 G304 F305	Q50-V52 PolarHBondContact O-N 3.05Å; V52-V282 HydrophobicContact CG1-CB 4.22Å; V52-V282 HydrophobicContact CG1-CG1 3.48Å; V52-V282 VanDerWaalsContact CG1-CG1 3.48Å; V52-V282 HydrophobicContact CG1-CG2 3.77Å; V52-R286 HydrophobicContact CG1-CG 4.47Å; V52-L290 HydrophobicContact CB-CD1 4.38Å; V52-L290 HydrophobicContact CG1-CD1 3.67Å; V52-L290 HydrophobicContact CG2-CD1 3.78Å; V52-L290 HydrophobicContact CG2-CD2 4.45Å; V52-W297 HydrophobicContact CB-CZ3 4.31Å; V52-W297 HydrophobicContact CG1-CH2 4.14Å; V52-W297 HydrophobicContact CG1-CZ3 3.9Å; V52-W297 HydrophobicContact CG2-CE3 4.19Å; V52-W297 HydrophobicContact CG2-CZ3 3.92Å; V52-Y303 HydrophobicContact CG2-CD1 3.69Å; V52-Y303 HydrophobicContact CG2-CG 4.02Å; V52-G304 PolarHBondContact N-O 3.06Å; V52-F305 HydrophobicContact CB-CE2 4.32Å; V52-F305 HydrophobicContact CB-CZ 4.16Å; V52-F305 HydrophobicContact CG1-CE1 4.36Å; V52-F305 HydrophobicContact CG1-CZ 4.07Å
53	V	95.2	Very high	88.4	Confident	14 Å²	14	47.1 Å²	47.1	9%	0.085	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.6	170.5	179.8	0	0	0	0	108.2	G281 V282 F305 I306 Q307	V53-G281 WeakPolarHBondContact CG2-O 3.47Å; V53-V282 HydrophobicContact CG2-CG2 4.35Å; V53-F305 HydrophobicContact CB-CD1 3.71Å; V53-F305 HydrophobicContact CB-CE1 4.24Å; V53-F305 HydrophobicContact CG2-CD1 3.6Å; V53-F305 HydrophobicContact CG2-CE1 3.6Å; V53-I306 PolarHBondContact O-N 3.16Å; V53-Q307 HydrophobicContact CG1-CB 4.26Å; V53-Q307 HydrophobicContact CG1-CG 3.95Å
54	N	93.8	Very high	89	Confident	80 Å²	80	49 Å²	49	43%	0.428	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	88.6	-176.4	-175.3	10	0	0	0	112.8	L51 G56	L51-N54 HydrophobicContact CB-CB 4.39Å; L51-N54 HydrophobicContact CD1-CB 4.21Å; N54-G56 PolarHBondContact O-N 2.97Å; N54-G56 WeakPolarHBondContact OD1-CA 3.24Å; N54-G56 PolarHBondContact OD1-N 3.48Å
55	D	94.8	Very high	89.7	Confident	25 Å²	25	50.1 Å²	50.1	13%	0.134	24%	0.235	C	C	.	.			trans	-86.2	16	170.8	-66.8	-34.1	0	0	0	112.8	D57 A58 L59 P258 I306 Q307 I308	D55-D57 VanDerWaalsContact C-N 3.32Å; D55-D57 PolarHBondContact O-N 3.5Å; D55-A58 WeakPolarHBondContact O-CB 3.41Å; D55-A58 PolarHBondContact O-N 3.35Å; D55-L59 PolarHBondContact O-N 3.33Å; D55-P258 HydrophobicContact CB-CG 4.3Å; D55-I306 PolarHBondContact N-O 3.1Å; D55-Q307 WeakPolarHBondContact OD2-CA 3.47Å; D55-I308 HydrophobicContact CB-CB 4.32Å; D55-I308 HydrophobicContact CB-CD1 3.96Å; D55-I308 HydrophobicContact CB-CG1 3.84Å; D55-I308 PolarHBondContact OD2-N 3.04Å
56	G	92.1	Very high	90.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-42.2	-174.6	0	0	0	0	0	113.5	Y10 N54 A58 L59 H60	Y10-G56 VanDerWaalsContact CD2-C 3.44Å; Y10-G56 WeakPolarHBondContact CD2-O 3.1Å; Y10-G56 WeakPolarHBondContact CE2-O 3.47Å; N54-G56 PolarHBondContact O-N 2.97Å; N54-G56 WeakPolarHBondContact OD1-CA 3.24Å; N54-G56 PolarHBondContact OD1-N 3.48Å; G56-A58 VanDerWaalsContact C-N 3.34Å; G56-A58 PolarHBondContact O-N 3.3Å; G56-L59 WeakPolarHBondContact O-CB 3.43Å; G56-L59 PolarHBondContact O-N 2.92Å; G56-H60 PolarHBondContact O-N 3.43Å
57	D	90.5	Very high	90	Very high	103 Å²	103	43.9 Å²	43.9	55%	0.551	21%	0.213	S	C	*	.	H	α-helix	trans	-66.3	-34.6	177.7	-83.1	-30.3	0	0	0	113.2	Y10 D55 R61	Y10-D57 VanDerWaalsContact CE2-OD1 3.32Å; Y10-D57 WeakPolarHBondContact CE2-OD1 3.33Å; Y10-D57 PolarHBondContact OH-OD1 3.08Å; D55-D57 VanDerWaalsContact C-N 3.32Å; D55-D57 PolarHBondContact O-N 3.5Å; D57-R61 WeakPolarHBondContact O-CG 3.41Å; D57-R61 PolarHBondContact O-N 3.29Å; D57-R61 PolarHBondContact O-NE 3.01Å
58	A	92.9	Very high	90	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-67.9	-45.8	173.7	0	0	0	0	0	110.7	D55 G56 H60 R61 F62 P258 T260 I308	D55-A58 WeakPolarHBondContact O-CB 3.41Å; D55-A58 PolarHBondContact O-N 3.35Å; G56-A58 VanDerWaalsContact C-N 3.34Å; G56-A58 PolarHBondContact O-N 3.3Å; A58-H60 VanDerWaalsContact C-N 3.26Å; A58-H60 PolarHBondContact O-N 3.17Å; A58-R61 PolarHBondContact O-N 3.3Å; A58-F62 PolarHBondContact O-N 3.45Å; A58-P258 HydrophobicContact CB-CB 4.17Å; A58-P258 HydrophobicContact CB-CG 4.38Å; A58-T260 HydrophobicContact CB-CG2 3.73Å; A58-T260 VanDerWaalsContact O-CG2 3.27Å; A58-T260 WeakPolarHBondContact O-CG2 3.22Å; A58-I308 HydrophobicContact CB-CD1 3.6Å
59	L	94.1	Very high	89.4	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-41	176.6	174	55.7	0	0	0	111.6	T13 D55 G56 F62 C63 L203 M267 V269 I308	T13-L59 HydrophobicContact CG2-CD2 4.05Å; D55-L59 PolarHBondContact O-N 3.33Å; G56-L59 WeakPolarHBondContact O-CB 3.43Å; G56-L59 PolarHBondContact O-N 2.92Å; L59-F62 WeakPolarHBondContact O-CB 3.23Å; L59-F62 PolarHBondContact O-N 3.42Å; L59-C63 PolarHBondContact O-N 2.76Å; L59-C63 PolarHBondContact O-SG 2.76Å; L59-C63 VanDerWaalsContact O-SG 3.33Å; L59-L203 HydrophobicContact CD1-CD1 3.86Å; L59-L203 HydrophobicContact CD1-CD2 4.12Å; L59-M267 HydrophobicContact CD1-SD 3.95Å; L59-V269 HydrophobicContact CD1-CG2 3.92Å; L59-V269 HydrophobicContact CD2-CG1 4.25Å; L59-V269 HydrophobicContact CD2-CG2 4.47Å; L59-I308 HydrophobicContact CB-CD1 4.45Å
60	H	91	Very high	88.3	Confident	42 Å²	42	41.1 Å²	41.1	19%	0.194	21%	0.207	C	C	.	.	H	α-helix	trans	-72.8	-40.8	177	-179.6	65.7	0	0	0	115.6	Y10 G56 A58 F62 C63 K64	Y10-H60 HydrophobicContact CD1-CB 3.41Å; Y10-H60 VanDerWaalsContact CD1-CB 3.41Å; Y10-H60 AromaticContact CD1-CG 3.61Å; Y10-H60 AromaticContact CD1-ND1 3.53Å; Y10-H60 HydrophobicContact CD2-CB 4.33Å; Y10-H60 HydrophobicContact CE1-CB 2.85Å; Y10-H60 AromaticContact CE1-CD2 3.33Å; Y10-H60 WeakPolarHBondContact CE1-CD2 3.27Å; Y10-H60 AromaticContact CE1-CE1 3.6Å; Y10-H60 AromaticContact CE1-CG 2.79Å; Y10-H60 AromaticContact CE1-ND1 3.03Å; Y10-H60 WeakPolarHBondContact CE1-ND1 2.93Å; Y10-H60 AromaticContact CE1-NE2 3.8Å; Y10-H60 HydrophobicContact CE2-CB 3.7Å; Y10-H60 HydrophobicContact CG-CB 4.21Å; Y10-H60 AromaticContact CZ-CD2 3.48Å; Y10-H60 VanDerWaalsContact CZ-CD2 3.48Å; Y10-H60 AromaticContact CZ-CG 3.2Å; Y10-H60 AromaticContact CZ-ND1 3.93Å; Y10-H60 WeakPolarHBondContact OH-CB 3.33Å; Y10-H60 PolarHBondContact OH-CD2 3.15Å; G56-H60 PolarHBondContact O-N 3.43Å; A58-H60 VanDerWaalsContact C-N 3.26Å; A58-H60 PolarHBondContact O-N 3.17Å; H60-F62 PolarHBondContact O-N 2.91Å; H60-C63 PolarHBondContact O-N 3.48Å; H60-C63 VanDerWaalsContact O-N 3.15Å; H60-K64 WeakPolarHBondContact O-CB 3.15Å; H60-K64 PolarHBondContact O-N 2.99Å
61	R	90.2	Very high	87.1	Confident	144 Å²	144	45.9 Å²	45.9	54%	0.543	23%	0.233	S	C	.	.	H	α-helix	trans	-55.3	-41.1	174.1	-77.4	-175.8	-67.2	132.2	-7.8	109.2	D57 A58 S65	D57-R61 WeakPolarHBondContact O-CG 3.41Å; D57-R61 PolarHBondContact O-N 3.29Å; D57-R61 PolarHBondContact O-NE 3.01Å; A58-R61 PolarHBondContact O-N 3.3Å; R61-S65 PolarHBondContact O-N 2.94Å; R61-S65 VanDerWaalsContact O-N 3.12Å
62	F	92.8	Very high	85.8	Confident	13 Å²	13	50 Å²	50	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-58.1	170.8	172.8	-95.4	0	0	0	112.3	A58 L59 H60 K64 S65 F66 L79 D202 L203 T260 M267	A58-F62 PolarHBondContact O-N 3.45Å; L59-F62 WeakPolarHBondContact O-CB 3.23Å; L59-F62 PolarHBondContact O-N 3.42Å; H60-F62 PolarHBondContact O-N 2.91Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.34Å; F62-S65 WeakPolarHBondContact O-CB 3.34Å; F62-S65 PolarHBondContact O-N 3.02Å; F62-S65 VanDerWaalsContact O-N 3.14Å; F62-S65 PolarHBondContact O-OG 3.37Å; F62-F66 HydrophobicContact CD2-CE2 4.37Å; F62-F66 AromaticContact CE1-CE2 3.96Å; F62-F66 HydrophobicContact CE1-CE2 3.96Å; F62-F66 AromaticContact CE2-CE2 3.81Å; F62-F66 HydrophobicContact CE2-CE2 3.81Å; F62-F66 HydrophobicContact CE2-CZ 4.35Å; F62-F66 AromaticContact CZ-CE2 3.57Å; F62-F66 HydrophobicContact CZ-CE2 3.57Å; F62-F66 AromaticContact CZ-CZ 3.98Å; F62-F66 HydrophobicContact CZ-CZ 3.98Å; F62-F66 WeakPolarHBondContact O-CD2 3.34Å; F62-L79 HydrophobicContact CE1-CD1 3.68Å; F62-L79 HydrophobicContact CZ-CD1 4.05Å; F62-D202 WeakPolarHBondContact CZ-O 3.44Å; F62-L203 HydrophobicContact CE1-CB 4.12Å; F62-L203 HydrophobicContact CE1-CD1 4.44Å; F62-T260 WeakPolarHBondContact CD2-O 3.07Å; F62-M267 HydrophobicContact CB-CE 3.59Å; F62-M267 HydrophobicContact CB-SD 3.98Å; F62-M267 HydrophobicContact CD1-CB 4.47Å; F62-M267 HydrophobicContact CD1-CE 4.1Å; F62-M267 HydrophobicContact CD1-SD 3.7Å; F62-M267 HydrophobicContact CD2-CE 3.55Å; F62-M267 HydrophobicContact CD2-SD 4.23Å; F62-M267 HydrophobicContact CE1-CB 4.09Å; F62-M267 HydrophobicContact CE1-SD 4.26Å; F62-M267 HydrophobicContact CE2-CB 4.2Å; F62-M267 HydrophobicContact CE2-CE 4.25Å; F62-M267 HydrophobicContact CG-CE 3.46Å; F62-M267 VanDerWaalsContact CG-CE 3.46Å; F62-M267 HydrophobicContact CG-SD 3.69Å; F62-M267 HydrophobicContact CZ-CB 3.94Å
63	C	91.8	Very high	84.2	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.054	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-40.3	-179	-66.4	0	0	0	0	113.3	L59 H60 S65 F66 I107	L59-C63 PolarHBondContact O-N 2.76Å; L59-C63 PolarHBondContact O-SG 2.76Å; L59-C63 VanDerWaalsContact O-SG 3.33Å; H60-C63 PolarHBondContact O-N 3.48Å; H60-C63 VanDerWaalsContact O-N 3.15Å; C63-S65 VanDerWaalsContact C-N 3.27Å; C63-S65 PolarHBondContact O-N 3.18Å; C63-F66 PolarHBondContact O-N 3.24Å; C63-I107 HydrophobicContact CB-CG2 4.45Å; C63-I107 WeakPolarHBondContact O-CG2 3.3Å
64	K	86.5	Confident	82.6	Confident	98 Å²	98	61.2 Å²	61.2	43%	0.426	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-32.3	179.6	-170.6	-176.3	174.6	-171.4	0	111.6	H60 F62 F66 S67 D68	H60-K64 WeakPolarHBondContact O-CB 3.15Å; H60-K64 PolarHBondContact O-N 2.99Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.34Å; K64-F66 PolarHBondContact O-N 2.96Å; K64-F66 VanDerWaalsContact O-N 3.16Å; K64-S67 WeakPolarHBondContact O-CA 3.31Å; K64-S67 WeakPolarHBondContact O-CB 3.18Å; K64-S67 PolarHBondContact O-N 2.86Å; K64-D68 WeakPolarHBondContact CE-OD2 3.3Å; K64-D68 PolarHBondContact O-N 3.39Å
65	S	88.3	Confident	81.6	Confident	37 Å²	37	59.8 Å²	59.8	26%	0.259	32%	0.319	S	S	.	.	H	α-helix	trans	-57.7	-30.3	176.8	79.6	0	0	0	0	112.9	R61 F62 C63 N69	R61-S65 PolarHBondContact O-N 2.94Å; R61-S65 VanDerWaalsContact O-N 3.12Å; F62-S65 WeakPolarHBondContact O-CB 3.34Å; F62-S65 PolarHBondContact O-N 3.02Å; F62-S65 VanDerWaalsContact O-N 3.14Å; F62-S65 PolarHBondContact O-OG 3.37Å; C63-S65 VanDerWaalsContact C-N 3.27Å; C63-S65 PolarHBondContact O-N 3.18Å; S65-N69 WeakPolarHBondContact O-CB 3.36Å; S65-N69 PolarHBondContact O-N 2.64Å; S65-N69 PolarHBondContact O-ND2 2.79Å
66	F	88	Confident	80.9	Confident	26 Å²	26	65.5 Å²	65.5	11%	0.114	35%	0.349	C	S	.	.	H	α-helix	trans	-70.6	-39.2	175	-72.4	-104.7	0	0	0	111.8	F62 C63 K64 M70 H77 L79 I107 D202	F62-F66 HydrophobicContact CD2-CE2 4.37Å; F62-F66 AromaticContact CE1-CE2 3.96Å; F62-F66 HydrophobicContact CE1-CE2 3.96Å; F62-F66 AromaticContact CE2-CE2 3.81Å; F62-F66 HydrophobicContact CE2-CE2 3.81Å; F62-F66 HydrophobicContact CE2-CZ 4.35Å; F62-F66 AromaticContact CZ-CE2 3.57Å; F62-F66 HydrophobicContact CZ-CE2 3.57Å; F62-F66 AromaticContact CZ-CZ 3.98Å; F62-F66 HydrophobicContact CZ-CZ 3.98Å; F62-F66 WeakPolarHBondContact O-CD2 3.34Å; C63-F66 PolarHBondContact O-N 3.24Å; K64-F66 PolarHBondContact O-N 2.96Å; K64-F66 VanDerWaalsContact O-N 3.16Å; F66-M70 PolarHBondContact O-N 3.31Å; F66-H77 AromaticContact CE1-CD2 3.53Å; F66-H77 AromaticContact CE1-NE2 3.83Å; F66-L79 HydrophobicContact CB-CB 4.49Å; F66-L79 HydrophobicContact CD1-CB 3.98Å; F66-L79 HydrophobicContact CD1-CD1 4.2Å; F66-L79 HydrophobicContact CD2-CD1 3.88Å; F66-L79 HydrophobicContact CE1-CB 4.32Å; F66-L79 HydrophobicContact CE1-CD1 3.89Å; F66-L79 HydrophobicContact CE2-CD1 3.6Å; F66-L79 HydrophobicContact CG-CB 4.1Å; F66-L79 HydrophobicContact CG-CD1 4.2Å; F66-L79 HydrophobicContact CZ-CD1 3.6Å; F66-I107 HydrophobicContact CB-CG2 4.42Å; F66-D202 HydrophobicContact CE1-CB 4.16Å; F66-D202 HydrophobicContact CZ-CB 3.87Å
67	S	81.1	Confident	80.7	Confident	27 Å²	27	68.9 Å²	68.9	19%	0.189	36%	0.364	C	S	.	.	H	α-helix	trans	-67.9	-40.2	173.8	-171.6	0	0	0	0	112.2	K64 N71	K64-S67 WeakPolarHBondContact O-CA 3.31Å; K64-S67 WeakPolarHBondContact O-CB 3.18Å; K64-S67 PolarHBondContact O-N 2.86Å; S67-N71 PolarHBondContact O-ND2 3.28Å
68	D	79.6	Confident	80.8	Confident	69 Å²	69	66.3 Å²	66.3	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-73.9	-35.2	-177.5	-69.7	-17.2	0	0	0	111.7	K64 M70 N71 S72	K64-D68 WeakPolarHBondContact CE-OD2 3.3Å; K64-D68 PolarHBondContact O-N 3.39Å; D68-M70 VanDerWaalsContact C-N 3.32Å; D68-M70 PolarHBondContact O-N 2.53Å; D68-N71 PolarHBondContact O-N 3.05Å; D68-N71 VanDerWaalsContact O-N 3.16Å; D68-S72 WeakPolarHBondContact O-CB 3.43Å; D68-S72 PolarHBondContact O-N 3.23Å; D68-S72 PolarHBondContact O-OG 2.91Å
69	N	70.4	Confident	80.9	Confident	50 Å²	50	66 Å²	66	27%	0.267	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-32.3	177.1	-78.9	-32.6	0	0	0	112.8	S65 N71 S72 R73	S65-N69 WeakPolarHBondContact O-CB 3.36Å; S65-N69 PolarHBondContact O-N 2.64Å; S65-N69 PolarHBondContact O-ND2 2.79Å; N69-N71 VanDerWaalsContact C-N 3.28Å; N69-N71 PolarHBondContact O-N 2.88Å; N69-S72 PolarHBondContact O-N 2.79Å; N69-R73 PolarHBondContact O-N 2.74Å
70	M	63.8	Low	81	Confident	57 Å²	57	67.9 Å²	67.9	28%	0.281	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-40.9	171.4	-75.6	-158	143.1	0	0	111.7	F66 D68 K78	F66-M70 PolarHBondContact O-N 3.31Å; D68-M70 VanDerWaalsContact C-N 3.32Å; D68-M70 PolarHBondContact O-N 2.53Å; M70-K78 HydrophobicContact CE-CB 4.46Å; M70-K78 HydrophobicContact CE-CD 3.92Å; M70-K78 VanDerWaalsContact CE-CE 3.49Å; M70-K78 HydrophobicContact CE-CG 3.17Å; M70-K78 HydrophobicContact SD-CG 4.06Å
71	N	63.8	Low	81.4	Confident	131 Å²	131	65.9 Å²	65.9	70%	0.701	34%	0.343	S	S	*	.	H	α-helix	trans	-76.8	-30.5	-177.9	-66.3	-37.1	0	0	0	113	S67 D68 N69	S67-N71 PolarHBondContact O-ND2 3.28Å; D68-N71 PolarHBondContact O-N 3.05Å; D68-N71 VanDerWaalsContact O-N 3.16Å; N69-N71 VanDerWaalsContact C-N 3.28Å; N69-N71 PolarHBondContact O-N 2.88Å
72	S	65.9	Low	81.8	Confident	99 Å²	99	59 Å²	59	69%	0.692	32%	0.317	S	S	*	.	H	α-helix	trans	-109.4	-27	-165.6	-56.4	0	0	0	0	115	D68 N69	D68-S72 WeakPolarHBondContact O-CB 3.43Å; D68-S72 PolarHBondContact O-N 3.23Å; D68-S72 PolarHBondContact O-OG 2.91Å; N69-S72 PolarHBondContact O-N 2.79Å
73	R	61.4	Low	82	Confident	200 Å²	200	58.4 Å²	58.4	76%	0.755	31%	0.314	S	S	*	.	H	α-helix	trans	-123.3	0.2	-169.5	-68.6	-176.1	175.1	176	-1.1	114.4	N69 S75	N69-R73 PolarHBondContact O-N 2.74Å; R73-S75 PolarHBondContact O-N 2.94Å; R73-S75 VanDerWaalsContact O-N 3.13Å
74	G	62.7	Low	82.4	Confident	63 Å²	63	58 Å²	58	65%	0.649	31%	0.312	S	S	*	.			trans	63.1	14.4	-176.5	0	0	0	0	0	113.8	N76	G74-N76 PolarHBondContact O-N 3.19Å
75	S	72.1	Confident	82.9	Confident	51 Å²	51	53.4 Å²	53.4	36%	0.357	29%	0.292	S	S	.	.			trans	-74.5	117.7	173.8	-178.3	0	0	0	0	108.6	R73 H77	R73-S75 PolarHBondContact O-N 2.94Å; R73-S75 VanDerWaalsContact O-N 3.13Å; S75-H77 PolarHBondContact O-N 2.88Å; S75-H77 WeakPolarHBondContact OG-CB 3.36Å; S75-H77 PolarHBondContact OG-N 2.98Å
76	N	79.5	Confident	83.4	Confident	144 Å²	144	51.9 Å²	51.9	77%	0.77	28%	0.281	S	S	*	.			trans	-81.6	5.5	173.3	-77.6	-10.7	0	0	0	112.9	G74 K78	G74-N76 PolarHBondContact O-N 3.19Å; N76-K78 PolarHBondContact O-N 3.2Å; N76-K78 VanDerWaalsContact O-N 3.15Å
77	H	88.7	Confident	83.8	Confident	73 Å²	73	50.9 Å²	50.9	34%	0.338	28%	0.277	S	S	.	.			trans	-71.9	106	-179.6	-171	70	0	0	0	110.9	F66 S75 R80 D202	F66-H77 AromaticContact CE1-CD2 3.53Å; F66-H77 AromaticContact CE1-NE2 3.83Å; S75-H77 PolarHBondContact O-N 2.88Å; S75-H77 WeakPolarHBondContact OG-CB 3.36Å; S75-H77 PolarHBondContact OG-N 2.98Å; H77-R80 PolarHBondContact CE1-NE 2.79Å; H77-D202 IonicContact CE1-OD1 3.3Å; H77-D202 IonicContact CE1-OD2 2.84Å; H77-D202 VanDerWaalsContact NE2-CG 3.35Å; H77-D202 IonicContact NE2-OD1 3.82Å; H77-D202 PolarHBondContact NE2-OD1 3.01Å; H77-D202 VanDerWaalsContact NE2-OD1 3.1Å; H77-D202 IonicContact NE2-OD2 3.35Å; H77-D202 PolarHBondContact NE2-OD2 3.1Å
78	K	92.5	Very high	84.4	Confident	49 Å²	49	51.4 Å²	51.4	21%	0.213	28%	0.28	C	S	.	.			trans	-89.6	158.2	171.5	-68.8	-172.5	170.7	179.6	0	110.4	M70 N76 R80 Q106 E109	M70-K78 HydrophobicContact CE-CB 4.46Å; M70-K78 HydrophobicContact CE-CD 3.92Å; M70-K78 VanDerWaalsContact CE-CE 3.49Å; M70-K78 HydrophobicContact CE-CG 3.17Å; M70-K78 HydrophobicContact SD-CG 4.06Å; N76-K78 PolarHBondContact O-N 3.2Å; N76-K78 VanDerWaalsContact O-N 3.15Å; K78-R80 PolarHBondContact O-N 3.23Å; K78-Q106 WeakPolarHBondContact CE-O 3.18Å; K78-E109 HydrophobicContact CB-CB 3.89Å
79	L	94.7	Very high	84.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.5	-179.5	-172.9	73.8	0	0	0	111.1	F62 F66 V81 F102 I107 A108 E109 D202 L203	F62-L79 HydrophobicContact CE1-CD1 3.68Å; F62-L79 HydrophobicContact CZ-CD1 4.05Å; F66-L79 HydrophobicContact CB-CB 4.49Å; F66-L79 HydrophobicContact CD1-CB 3.98Å; F66-L79 HydrophobicContact CD1-CD1 4.2Å; F66-L79 HydrophobicContact CD2-CD1 3.88Å; F66-L79 HydrophobicContact CE1-CB 4.32Å; F66-L79 HydrophobicContact CE1-CD1 3.89Å; F66-L79 HydrophobicContact CE2-CD1 3.6Å; F66-L79 HydrophobicContact CG-CB 4.1Å; F66-L79 HydrophobicContact CG-CD1 4.2Å; F66-L79 HydrophobicContact CZ-CD1 3.6Å; L79-V81 HydrophobicContact CD2-CG2 3.53Å; L79-V81 HydrophobicContact CG-CG2 3.73Å; L79-F102 HydrophobicContact CD2-CD1 4.26Å; L79-F102 HydrophobicContact CD2-CE1 4.16Å; L79-I107 HydrophobicContact CB-CG2 4.17Å; L79-I107 WeakPolarHBondContact CB-O 3.33Å; L79-I107 HydrophobicContact CD2-CG2 4.15Å; L79-I107 PolarHBondContact N-O 2.82Å; L79-A108 HydrophobicContact CB-CB 4.26Å; L79-A108 CarbonylContact O-C 3.54Å; L79-A108 WeakPolarHBondContact O-CA 2.97Å; L79-A108 VanDerWaalsContact O-CB 3.24Å; L79-A108 WeakPolarHBondContact O-CB 3.48Å; L79-E109 PolarHBondContact O-N 2.8Å; L79-D202 HydrophobicContact CD1-CB 3.66Å; L79-L203 HydrophobicContact CD1-CB 4.1Å; L79-L203 HydrophobicContact CD2-CB 4.43Å; L79-L203 HydrophobicContact CD2-CD2 4.1Å; L79-L203 HydrophobicContact CG-CB 4.46Å
80	R	96.9	Very high	85.6	Confident	44 Å²	44	50.7 Å²	50.7	17%	0.166	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.1	171.7	-57	165.9	-63.9	161	8.5	109	H77 K78 E109 Y110 R199 D200 D202 L203	H77-R80 PolarHBondContact CE1-NE 2.79Å; K78-R80 PolarHBondContact O-N 3.23Å; R80-E109 HydrophobicContact CG-CB 4.39Å; R80-Y110 HydrophobicContact CB-CE1 3.99Å; R80-Y110 HydrophobicContact CB-CE2 4.21Å; R80-Y110 HydrophobicContact CG-CD1 4.2Å; R80-Y110 HydrophobicContact CG-CE1 3.55Å; R80-R199 PolarHBondContact NH1-O 2.86Å; R80-R199 PolarHBondContact NH2-O 3.19Å; R80-R199 VanDerWaalsContact NH2-O 3.15Å; R80-D200 WeakPolarHBondContact CB-O 3.18Å; R80-D200 WeakPolarHBondContact CD-O 3.33Å; R80-D202 WeakPolarHBondContact CB-OD2 3.26Å; R80-D202 IonicContact CZ-OD1 3.77Å; R80-D202 IonicContact CZ-OD2 3.64Å; R80-D202 PolarHBondContact N-OD2 2.79Å; R80-D202 IonicContact NE-OD1 2.64Å; R80-D202 IonicContact NE-OD2 3.81Å; R80-D202 PolarHBondContact NE-OD2 3.15Å; R80-D202 IonicContact NH2-OD1 2.74Å; R80-D202 PolarHBondContact NH2-OD1 2.86Å; R80-D202 IonicContact NH2-OD2 3.1Å; R80-D202 PolarHBondContact O-N 2.98Å; R80-L203 PolarHBondContact O-N 3.4Å
81	V	98.2	Very high	87	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.8	-170	-173.5	0	0	0	0	110.5	L79 I83 F102 A108 Y110 V111 S112 L203 I205	L79-V81 HydrophobicContact CD2-CG2 3.53Å; L79-V81 HydrophobicContact CG-CG2 3.73Å; V81-I83 HydrophobicContact CG1-CG1 4.15Å; V81-F102 HydrophobicContact CG1-CE2 4.36Å; V81-F102 HydrophobicContact CG2-CD2 4.38Å; V81-A108 HydrophobicContact CG2-CB 4.33Å; V81-Y110 PolarHBondContact N-O 2.96Å; V81-Y110 VanDerWaalsContact N-O 3.16Å; V81-V111 HydrophobicContact CB-CG1 4.22Å; V81-V111 HydrophobicContact CB-CG2 4.2Å; V81-V111 HydrophobicContact CG1-CG1 4.29Å; V81-V111 CarbonylContact O-C 3.5Å; V81-V111 WeakPolarHBondContact O-CA 3.45Å; V81-S112 PolarHBondContact O-N 3.48Å; V81-S112 PolarHBondContact O-OG 3.22Å; V81-L203 CarbonylContact C-O 3.6Å; V81-L203 WeakPolarHBondContact CA-O 3.49Å; V81-L203 HydrophobicContact CG1-CD2 4.3Å; V81-L203 HydrophobicContact CG1-CG 4.38Å; V81-L203 HydrophobicContact CG2-CB 4.42Å; V81-L203 HydrophobicContact CG2-CD2 4.38Å; V81-I205 HydrophobicContact CG1-CD1 4.28Å
82	A	98.6	Very high	88.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.2	162.1	0	0	0	0	0	109.9	I84 S112 L197 L203 I204 I205	A82-I84 HydrophobicContact CB-CD1 4.49Å; A82-S112 CarbonylContact C-O 3.51Å; A82-S112 VanDerWaalsContact CA-O 3.28Å; A82-S112 WeakPolarHBondContact CA-O 3.49Å; A82-S112 WeakPolarHBondContact CA-OG 3.28Å; A82-L197 HydrophobicContact CB-CD2 4.15Å; A82-L203 PolarHBondContact N-O 3.29Å; A82-I204 HydrophobicContact CB-CG1 4.29Å; A82-I204 HydrophobicContact CB-CG2 4.26Å; A82-I204 CarbonylContact O-C 3.58Å; A82-I204 WeakPolarHBondContact O-CA 3.33Å; A82-I205 PolarHBondContact O-N 3.25Å
83	I	98.6	Very high	89.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.6	171	-56.2	179.8	0	0	0	107	V81 L85 A99 V111 S112 F113 H114 I205 K207	V81-I83 HydrophobicContact CG1-CG1 4.15Å; I83-L85 HydrophobicContact CG2-CD2 3.95Å; I83-L85 PolarHBondContact O-N 2.95Å; I83-A99 HydrophobicContact CD1-CB 4.39Å; I83-V111 HydrophobicContact CD1-CG1 3.79Å; I83-V111 HydrophobicContact CG1-CG1 3.98Å; I83-S112 PolarHBondContact N-O 2.84Å; I83-F113 HydrophobicContact CB-CD1 4.25Å; I83-F113 HydrophobicContact CD1-CD1 4.43Å; I83-F113 HydrophobicContact CD1-CE1 3.99Å; I83-F113 CarbonylContact O-C 3.6Å; I83-F113 WeakPolarHBondContact O-CA 3.42Å; I83-H114 PolarHBondContact O-N 3.41Å; I83-I205 CarbonylContact C-O 3.04Å; I83-I205 WeakPolarHBondContact CA-O 3.21Å; I83-I205 HydrophobicContact CG1-CB 4.48Å; I83-K207 HydrophobicContact CG2-CD 4.41Å; I83-K207 HydrophobicContact CG2-CG 3.86Å
84	I	98.7	Very high	91.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	107.7	173.7	-45	-51.1	0	0	0	106.8	A82 H114 W177 L197 I204 I205 F206 K207 N211	A82-I84 HydrophobicContact CB-CD1 4.49Å; I84-H114 HydrophobicContact CD1-CB 3.56Å; I84-W177 HydrophobicContact CD1-CH2 3.74Å; I84-W177 HydrophobicContact CD1-CZ2 3.66Å; I84-W177 HydrophobicContact CG1-CH2 4.11Å; I84-W177 HydrophobicContact CG1-CZ2 4.45Å; I84-W177 HydrophobicContact CG2-CD2 4.31Å; I84-W177 HydrophobicContact CG2-CE3 4.05Å; I84-W177 HydrophobicContact CG2-CH2 4.14Å; I84-W177 HydrophobicContact CG2-CZ2 4.36Å; I84-W177 HydrophobicContact CG2-CZ3 3.99Å; I84-L197 HydrophobicContact CD1-CD2 4.47Å; I84-I204 HydrophobicContact CD1-CG2 4.31Å; I84-I204 HydrophobicContact CG1-CG2 3.99Å; I84-I205 PolarHBondContact N-O 3.35Å; I84-F206 HydrophobicContact CB-CD1 3.65Å; I84-F206 HydrophobicContact CB-CE1 3.97Å; I84-F206 HydrophobicContact CB-CG 4.3Å; I84-F206 HydrophobicContact CG1-CD1 3.65Å; I84-F206 HydrophobicContact CG1-CE1 3.53Å; I84-F206 HydrophobicContact CG1-CE2 4.45Å; I84-F206 HydrophobicContact CG1-CG 4.21Å; I84-F206 HydrophobicContact CG1-CZ 3.97Å; I84-F206 HydrophobicContact CG2-CD1 3.91Å; I84-F206 HydrophobicContact CG2-CE1 4.04Å; I84-K207 WeakPolarHBondContact O-CB 3.32Å; I84-K207 PolarHBondContact O-N 2.84Å; I84-N211 PolarHBondContact O-ND2 3.28Å
85	L	98.5	Very high	92.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.			trans	-76.3	150.8	-166.6	-69.1	171.9	0	0	0	112.1	I83 L92 D95 F113 H114 K116 V125 F130 F171 N211	I83-L85 HydrophobicContact CG2-CD2 3.95Å; I83-L85 PolarHBondContact O-N 2.95Å; L85-L92 HydrophobicContact CD1-CD1 3.98Å; L85-L92 HydrophobicContact CD2-CD1 3.97Å; L85-D95 HydrophobicContact CD2-CB 4.1Å; L85-D95 WeakPolarHBondContact CD2-OD2 3.36Å; L85-F113 HydrophobicContact CD1-CB 3.93Å; L85-F113 HydrophobicContact CD1-CD1 4.36Å; L85-F113 HydrophobicContact CD2-CD1 4.11Å; L85-F113 HydrophobicContact CG-CB 4.45Å; L85-F113 HydrophobicContact CG-CD1 4.46Å; L85-H114 WeakPolarHBondContact CB-O 3.3Å; L85-H114 PolarHBondContact N-O 3.09Å; L85-K116 PolarHBondContact O-NZ 2.72Å; L85-V125 HydrophobicContact CB-CB 4.15Å; L85-V125 HydrophobicContact CB-CG2 4.21Å; L85-V125 HydrophobicContact CD1-CB 3.96Å; L85-V125 HydrophobicContact CD1-CG1 3.81Å; L85-V125 HydrophobicContact CD1-CG2 4.21Å; L85-F130 HydrophobicContact CD1-CD2 4.37Å; L85-F171 HydrophobicContact CD1-CE2 4.1Å; L85-N211 PolarHBondContact O-ND2 2.73Å
86	D	97.6	Very high	93.9	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	15%	0.147	C	C	.	.			trans	-107.7	-106.4	169.5	-160.5	29.9	0	0	0	108.2	N20 D124 V125 K207 G208	N20-D86 PolarHBondContact ND2-OD2 3.13Å; D86-D124 CarbonylContact O-C 3.53Å; D86-D124 WeakPolarHBondContact O-CA 3.28Å; D86-V125 PolarHBondContact O-N 3.31Å; D86-K207 HydrophobicContact CB-CB 3.89Å; D86-G208 WeakPolarHBondContact OD2-CA 3.26Å
87	N	96.2	Very high	94.5	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.032	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-84.1	152	-172.4	-58.5	-56.9	0	0	0	115.1	N20 D23 E91 L92 S123 V125	N20-N87 PolarHBondContact OD1-ND2 2.93Å; D23-N87 VanDerWaalsContact CG-ND2 3.29Å; D23-N87 PolarHBondContact OD2-ND2 3.42Å; N87-E91 HydrophobicContact CB-CB 4.19Å; N87-E91 VanDerWaalsContact CB-OE2 3.23Å; N87-E91 WeakPolarHBondContact CB-OE2 3.33Å; N87-E91 PolarHBondContact N-OE2 3.41Å; N87-E91 PolarHBondContact ND2-OE2 3.19Å; N87-L92 PolarHBondContact O-N 3.42Å; N87-S123 CarbonylContact C-O 3.55Å; N87-S123 WeakPolarHBondContact CA-O 3.34Å; N87-S123 VanDerWaalsContact OD1-CB 3.31Å; N87-S123 WeakPolarHBondContact OD1-CB 3.41Å; N87-S123 PolarHBondContact OD1-OG 3.07Å; N87-V125 VanDerWaalsContact O-CG2 3.22Å; N87-V125 WeakPolarHBondContact O-CG2 3.16Å
88	S	93.6	Very high	94.7	Very high	37 Å²	37	17.8 Å²	17.8	26%	0.259	11%	0.112	S	C	.	.	S	Bend	trans	-73.9	-172.5	166.2	61.8	0	0	0	0	112.1	S123	S88-S123 WeakPolarHBondContact CB-O 3.41Å; S88-S123 PolarHBondContact N-O 3.04Å; S88-S123 PolarHBondContact OG-O 3.48Å
89	G	88.7	Confident	94.9	Very high	33 Å²	33	15.5 Å²	15.5	34%	0.34	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-135.7	178.5	0	0	0	0	0	113.4	E91 L92 V93	G89-E91 VanDerWaalsContact C-N 3.29Å; G89-E91 PolarHBondContact O-N 3.39Å; G89-L92 PolarHBondContact O-N 2.93Å; G89-V93 WeakPolarHBondContact O-CG2 3.47Å; G89-V93 PolarHBondContact O-N 3.44Å; G89-V93 VanDerWaalsContact O-N 3.17Å
90	P	87.1	Confident	94.9	Very high	71 Å²	71	16 Å²	16	46%	0.461	10%	0.104	S	C	.	.	H	α-helix	trans	-57.9	-34.7	-176.3	-25.9	35.1	0	0	0	114.6	F22 V93 A94	F22-P90 HydrophobicContact CB-CB 4.21Å; F22-P90 HydrophobicContact CB-CG 4.17Å; F22-P90 HydrophobicContact CD2-CB 4.04Å; F22-P90 HydrophobicContact CG-CB 4.14Å; F22-P90 HydrophobicContact CG-CG 4.27Å; P90-V93 PolarHBondContact O-N 3.11Å; P90-A94 PolarHBondContact O-N 2.92Å
91	E	92.2	Very high	94.7	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-48	179.1	-175.2	172.6	-175.9	0	0	111.4	A19 N20 N87 G89 V93 A94 D95 K207	A19-E91 HydrophobicContact CB-CB 4.41Å; N20-E91 PolarHBondContact OD1-OE2 2.92Å; N87-E91 HydrophobicContact CB-CB 4.19Å; N87-E91 VanDerWaalsContact CB-OE2 3.23Å; N87-E91 WeakPolarHBondContact CB-OE2 3.33Å; N87-E91 PolarHBondContact N-OE2 3.41Å; N87-E91 PolarHBondContact ND2-OE2 3.19Å; G89-E91 VanDerWaalsContact C-N 3.29Å; G89-E91 PolarHBondContact O-N 3.39Å; E91-V93 VanDerWaalsContact C-N 3.28Å; E91-V93 PolarHBondContact O-N 3.25Å; E91-A94 WeakPolarHBondContact O-CB 3.43Å; E91-A94 PolarHBondContact O-N 3.33Å; E91-A94 VanDerWaalsContact O-N 3.08Å; E91-D95 PolarHBondContact O-N 2.95Å; E91-K207 IonicContact OE1-NZ 3.01Å; E91-K207 PolarHBondContact OE1-NZ 3.43Å
92	L	94.9	Very high	94.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-60.3	-37.7	175.7	177.9	58.3	0	0	0	112.2	L85 N87 G89 A94 D95 L96 V125 F130 L133	L85-L92 HydrophobicContact CD1-CD1 3.98Å; L85-L92 HydrophobicContact CD2-CD1 3.97Å; N87-L92 PolarHBondContact O-N 3.42Å; G89-L92 PolarHBondContact O-N 2.93Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-D95 PolarHBondContact O-N 2.93Å; L92-L96 HydrophobicContact CD1-CD1 4.4Å; L92-L96 HydrophobicContact CD1-CG 4.37Å; L92-L96 HydrophobicContact CG-CD1 4.22Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 2.97Å; L92-V125 HydrophobicContact CB-CG2 4.15Å; L92-V125 HydrophobicContact CD1-CG1 4.5Å; L92-V125 HydrophobicContact CD1-CG2 4.27Å; L92-V125 HydrophobicContact CD2-CG1 3.95Å; L92-V125 HydrophobicContact CD2-CG2 4.05Å; L92-V125 HydrophobicContact CG-CG2 4.38Å; L92-F130 HydrophobicContact CD1-CD2 3.75Å; L92-F130 HydrophobicContact CD1-CE2 3.95Å; L92-F130 HydrophobicContact CD2-CD2 4.06Å; L92-F130 HydrophobicContact CG-CD2 4.48Å; L92-L133 HydrophobicContact CB-CD2 4.3Å; L92-L133 HydrophobicContact CD2-CB 4.42Å; L92-L133 HydrophobicContact CD2-CD2 3.61Å; L92-L133 HydrophobicContact CG-CD2 3.64Å
93	V	92.5	Very high	94.2	Very high	54 Å²	54	18.3 Å²	18.3	33%	0.327	11%	0.114	S	C	.	.	H	α-helix	trans	-61.7	-42.9	174.1	170.8	0	0	0	0	111.1	G89 P90 E91 D95 L96 C97 L133 W160	G89-V93 WeakPolarHBondContact O-CG2 3.47Å; G89-V93 PolarHBondContact O-N 3.44Å; G89-V93 VanDerWaalsContact O-N 3.17Å; P90-V93 PolarHBondContact O-N 3.11Å; E91-V93 VanDerWaalsContact C-N 3.28Å; E91-V93 PolarHBondContact O-N 3.25Å; V93-D95 VanDerWaalsContact C-N 3.34Å; V93-L96 PolarHBondContact O-N 3.47Å; V93-C97 PolarHBondContact O-N 3.38Å; V93-C97 PolarHBondContact O-SG 3.33Å; V93-L133 HydrophobicContact CG2-CD1 3.93Å; V93-L133 HydrophobicContact CG2-CD2 3.92Å; V93-W160 HydrophobicContact CG1-CH2 4.25Å
94	A	92	Very high	93.9	Very high	16 Å²	16	22.6 Å²	22.6	13%	0.132	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-36.4	177.6	0	0	0	0	0	112.2	A19 P90 E91 L92 C97 L98	A19-A94 HydrophobicContact CB-CB 3.33Å; P90-A94 PolarHBondContact O-N 2.92Å; E91-A94 WeakPolarHBondContact O-CB 3.43Å; E91-A94 PolarHBondContact O-N 3.33Å; E91-A94 VanDerWaalsContact O-N 3.08Å; L92-A94 VanDerWaalsContact C-N 3.35Å; A94-C97 WeakPolarHBondContact O-CB 3.27Å; A94-C97 PolarHBondContact O-N 2.9Å; A94-L98 PolarHBondContact O-N 3.25Å
95	D	95.8	Very high	93.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.9	-38.1	176.3	-69	-23.4	0	0	0	112.5	S16 L85 E91 L92 V93 C97 L98 A99 K207	S16-D95 PolarHBondContact OG-OD1 3.34Å; L85-D95 HydrophobicContact CD2-CB 4.1Å; L85-D95 WeakPolarHBondContact CD2-OD2 3.36Å; E91-D95 PolarHBondContact O-N 2.95Å; L92-D95 PolarHBondContact O-N 2.93Å; V93-D95 VanDerWaalsContact C-N 3.34Å; D95-C97 VanDerWaalsContact C-N 3.35Å; D95-L98 PolarHBondContact O-N 3.12Å; D95-A99 WeakPolarHBondContact O-CB 3.34Å; D95-A99 PolarHBondContact O-N 3.48Å; D95-K207 VanDerWaalsContact CG-NZ 3.26Å; D95-K207 WeakPolarHBondContact OD1-CE 3.34Å; D95-K207 IonicContact OD1-NZ 3.9Å; D95-K207 PolarHBondContact OD1-NZ 2.89Å; D95-K207 IonicContact OD2-NZ 3.48Å; D95-K207 PolarHBondContact OD2-NZ 3.34Å
96	L	95.5	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-39.1	171.1	-72.5	164.9	0	0	0	111.7	L92 V93 A99 E100 F113 F130 L133 W160 F169	L92-L96 HydrophobicContact CD1-CD1 4.4Å; L92-L96 HydrophobicContact CD1-CG 4.37Å; L92-L96 HydrophobicContact CG-CD1 4.22Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 2.97Å; V93-L96 PolarHBondContact O-N 3.47Å; L96-A99 PolarHBondContact O-N 3.37Å; L96-E100 WeakPolarHBondContact O-CB 3.46Å; L96-E100 PolarHBondContact O-N 3.47Å; L96-F113 HydrophobicContact CD2-CE1 4.18Å; L96-F113 HydrophobicContact CD2-CE2 4.08Å; L96-F113 HydrophobicContact CD2-CZ 3.67Å; L96-F113 HydrophobicContact CG-CZ 4.48Å; L96-F130 HydrophobicContact CD2-CE2 3.99Å; L96-F130 HydrophobicContact CD2-CZ 3.95Å; L96-L133 HydrophobicContact CD1-CD2 3.53Å; L96-W160 HydrophobicContact CB-CD2 3.97Å; L96-W160 HydrophobicContact CB-CE3 4.15Å; L96-W160 HydrophobicContact CB-CH2 3.81Å; L96-W160 HydrophobicContact CB-CZ2 3.63Å; L96-W160 HydrophobicContact CB-CZ3 4.07Å; L96-W160 HydrophobicContact CD1-CD2 4.21Å; L96-W160 HydrophobicContact CD1-CE3 3.68Å; L96-W160 HydrophobicContact CD1-CH2 4.26Å; L96-W160 HydrophobicContact CD1-CZ3 3.7Å; L96-W160 HydrophobicContact CD2-CD2 4.44Å; L96-W160 HydrophobicContact CD2-CG 4.5Å; L96-W160 HydrophobicContact CG-CD2 4.45Å; L96-W160 HydrophobicContact CG-CE3 4.39Å; L96-F169 HydrophobicContact CD2-CD2 4.09Å; L96-F169 HydrophobicContact CD2-CE2 3.86Å
97	C	93.2	Very high	92.5	Very high	53 Å²	53	30.3 Å²	30.3	36%	0.358	18%	0.181	S	C	.	.	H	α-helix	trans	-62.7	-43.4	172.6	-67.3	0	0	0	0	112	V93 A94 D95 E100 Y101	V93-C97 PolarHBondContact O-N 3.38Å; V93-C97 PolarHBondContact O-SG 3.33Å; A94-C97 WeakPolarHBondContact O-CB 3.27Å; A94-C97 PolarHBondContact O-N 2.9Å; D95-C97 VanDerWaalsContact C-N 3.35Å; C97-E100 PolarHBondContact O-N 3.32Å; C97-Y101 PolarHBondContact O-N 2.93Å
98	L	93.7	Very high	92.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-44.8	176.4	174.5	61.6	0	0	0	111.5	C12 A94 D95 E100 Y101 F102 I205	C12-L98 HydrophobicContact CB-CD1 3.82Å; A94-L98 PolarHBondContact O-N 3.25Å; D95-L98 PolarHBondContact O-N 3.12Å; L98-E100 VanDerWaalsContact C-N 3.32Å; L98-E100 PolarHBondContact O-N 2.85Å; L98-Y101 WeakPolarHBondContact O-CB 3.46Å; L98-Y101 PolarHBondContact O-N 2.92Å; L98-F102 HydrophobicContact CD1-CD2 4.27Å; L98-F102 HydrophobicContact CD1-CE2 3.74Å; L98-F102 HydrophobicContact CD1-CZ 4.18Å; L98-F102 HydrophobicContact CD2-CE2 4.27Å; L98-F102 HydrophobicContact CG-CD2 4.2Å; L98-F102 HydrophobicContact CG-CE2 3.76Å; L98-F102 VanDerWaalsContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 PolarHBondContact O-N 2.7Å; L98-F102 VanDerWaalsContact O-N 3.12Å; L98-I205 HydrophobicContact CD2-CD1 4.18Å
99	A	96	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-41.6	176.3	0	0	0	0	0	112.1	I83 D95 L96 Y101 F102 L103 V111 F113 F169	I83-A99 HydrophobicContact CD1-CB 4.39Å; D95-A99 WeakPolarHBondContact O-CB 3.34Å; D95-A99 PolarHBondContact O-N 3.48Å; L96-A99 PolarHBondContact O-N 3.37Å; A99-Y101 VanDerWaalsContact C-N 3.33Å; A99-Y101 PolarHBondContact O-N 2.98Å; A99-F102 PolarHBondContact O-N 3.34Å; A99-L103 PolarHBondContact O-N 3.28Å; A99-V111 HydrophobicContact CB-CB 3.95Å; A99-V111 HydrophobicContact CB-CG1 3.73Å; A99-V111 HydrophobicContact CB-CG2 3.9Å; A99-F113 HydrophobicContact CB-CE1 4.02Å; A99-F113 HydrophobicContact CB-CE2 4.32Å; A99-F113 HydrophobicContact CB-CZ 3.39Å; A99-F169 HydrophobicContact CB-CD1 4.34Å; A99-F169 HydrophobicContact CB-CE1 3.45Å; A99-F169 VanDerWaalsContact CB-CE1 3.45Å; A99-F169 HydrophobicContact CB-CE2 4.33Å; A99-F169 HydrophobicContact CB-CZ 3.46Å; A99-F169 VanDerWaalsContact CB-CZ 3.46Å
100	E	95	Very high	92.9	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-36.8	177.6	-174.8	57.4	-141.1	0	0	111.5	L96 C97 L98 L103 T104 W156 R163 F169	L96-E100 WeakPolarHBondContact O-CB 3.46Å; L96-E100 PolarHBondContact O-N 3.47Å; C97-E100 PolarHBondContact O-N 3.32Å; L98-E100 VanDerWaalsContact C-N 3.32Å; L98-E100 PolarHBondContact O-N 2.85Å; E100-L103 PolarHBondContact O-N 3.37Å; E100-T104 VanDerWaalsContact O-CB 3.3Å; E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 PolarHBondContact O-N 3.47Å; E100-T104 PolarHBondContact O-OG1 3.03Å; E100-T104 PolarHBondContact OE1-OG1 3.31Å; E100-W156 HydrophobicContact CG-CZ3 3.76Å; E100-R163 IonicContact OE1-CZ 3.73Å; E100-R163 IonicContact OE1-NE 2.91Å; E100-R163 PolarHBondContact OE1-NE 3.44Å; E100-R163 IonicContact OE1-NH2 3.69Å; E100-R163 PolarHBondContact OE1-NH2 2.95Å; E100-R163 IonicContact OE2-CZ 2.82Å; E100-R163 IonicContact OE2-NE 3.68Å; E100-R163 PolarHBondContact OE2-NE 3.21Å; E100-R163 IonicContact OE2-NH2 3.76Å; E100-F169 HydrophobicContact CB-CZ 4.2Å
101	Y	92.6	Very high	93.4	Very high	79 Å²	79	29 Å²	29	31%	0.31	16%	0.156	S	C	.	.	H	α-helix	trans	-59.3	-45.2	171.8	168	-95.8	0	0	0	112.1	C12 C97 L98 A99 L103 S105	C12-Y101 HydrophobicContact CB-CD1 4.34Å; C12-Y101 HydrophobicContact CB-CG 4.18Å; C97-Y101 PolarHBondContact O-N 2.93Å; L98-Y101 WeakPolarHBondContact O-CB 3.46Å; L98-Y101 PolarHBondContact O-N 2.92Å; A99-Y101 VanDerWaalsContact C-N 3.33Å; A99-Y101 PolarHBondContact O-N 2.98Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 3.28Å; Y101-S105 WeakPolarHBondContact CE2-OG 3.48Å; Y101-S105 WeakPolarHBondContact O-CB 3.27Å; Y101-S105 PolarHBondContact O-N 2.62Å; Y101-S105 PolarHBondContact O-OG 2.66Å
102	F	92.7	Very high	93.7	Very high	5 Å²	5	29 Å²	29	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-43.3	177.9	-78.1	-59	0	0	0	112.5	L79 V81 L98 A99 I107 A108 V111 L203 I205	L79-F102 HydrophobicContact CD2-CD1 4.26Å; L79-F102 HydrophobicContact CD2-CE1 4.16Å; V81-F102 HydrophobicContact CG1-CE2 4.36Å; V81-F102 HydrophobicContact CG2-CD2 4.38Å; L98-F102 HydrophobicContact CD1-CD2 4.27Å; L98-F102 HydrophobicContact CD1-CE2 3.74Å; L98-F102 HydrophobicContact CD1-CZ 4.18Å; L98-F102 HydrophobicContact CD2-CE2 4.27Å; L98-F102 HydrophobicContact CG-CD2 4.2Å; L98-F102 HydrophobicContact CG-CE2 3.76Å; L98-F102 VanDerWaalsContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 PolarHBondContact O-N 2.7Å; L98-F102 VanDerWaalsContact O-N 3.12Å; A99-F102 PolarHBondContact O-N 3.34Å; F102-I107 PolarHBondContact O-N 2.74Å; F102-I107 VanDerWaalsContact O-N 3.16Å; F102-A108 HydrophobicContact CB-CB 3.75Å; F102-A108 PolarHBondContact O-N 3.44Å; F102-V111 HydrophobicContact CB-CG2 4.46Å; F102-L203 HydrophobicContact CZ-CD2 4.06Å; F102-I205 HydrophobicContact CE2-CD1 4.19Å; F102-I205 HydrophobicContact CZ-CD1 4.4Å
103	L	93.7	Very high	93.9	Very high	8 Å²	8	29 Å²	29	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-73.6	-45.9	-179.5	-65.5	-178.6	0	0	0	112.6	A99 E100 Y101 S105 Q106 A108 V111 F169	A99-L103 PolarHBondContact O-N 3.28Å; E100-L103 PolarHBondContact O-N 3.37Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 3.28Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.74Å; L103-Q106 WeakPolarHBondContact O-CA 3.45Å; L103-Q106 PolarHBondContact O-N 2.91Å; L103-Q106 PolarHBondContact O-NE2 3.05Å; L103-A108 HydrophobicContact CD2-CB 4.11Å; L103-V111 HydrophobicContact CG-CG2 4.45Å; L103-F169 HydrophobicContact CD1-CD1 3.62Å; L103-F169 HydrophobicContact CD1-CE1 3.33Å; L103-F169 HydrophobicContact CD1-CZ 4.34Å; L103-F169 HydrophobicContact CG-CE1 4.18Å
104	T	91.6	Very high	94.2	Very high	89 Å²	89	26.6 Å²	26.6	55%	0.546	14%	0.141	S	C	.	.	H	α-helix	trans	-67.1	-32.5	179.9	-78.1	0	0	0	0	111.8	E100 Q106	E100-T104 VanDerWaalsContact O-CB 3.3Å; E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 PolarHBondContact O-N 3.47Å; E100-T104 PolarHBondContact O-OG1 3.03Å; E100-T104 PolarHBondContact OE1-OG1 3.31Å; T104-Q106 PolarHBondContact O-N 3.01Å
105	S	87.7	Confident	94.5	Very high	40 Å²	40	25.9 Å²	25.9	28%	0.28	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1	172.2	-54.5	0	0	0	0	113.4	Y101 L103 I107	Y101-S105 WeakPolarHBondContact CE2-OG 3.48Å; Y101-S105 WeakPolarHBondContact O-CB 3.27Å; Y101-S105 PolarHBondContact O-N 2.62Å; Y101-S105 PolarHBondContact O-OG 2.66Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.74Å; S105-I107 PolarHBondContact O-N 3.03Å; S105-I107 VanDerWaalsContact O-N 3.14Å
106	Q	88.4	Confident	94.6	Very high	112 Å²	112	26 Å²	26	52%	0.523	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	17.7	-177.7	-59.9	-63.7	-46	0	0	114.4	K78 L103 T104	K78-Q106 WeakPolarHBondContact CE-O 3.18Å; L103-Q106 WeakPolarHBondContact O-CA 3.45Å; L103-Q106 PolarHBondContact O-N 2.91Å; L103-Q106 PolarHBondContact O-NE2 3.05Å; T104-Q106 PolarHBondContact O-N 3.01Å
107	I	88.8	Confident	94.7	Very high	16 Å²	16	27.6 Å²	27.6	8%	0.082	15%	0.147	C	C	.	.			trans	-80.6	-39.1	-179.7	-62.9	170.3	0	0	0	110.1	C63 F66 L79 F102 S105	C63-I107 HydrophobicContact CB-CG2 4.45Å; C63-I107 WeakPolarHBondContact O-CG2 3.3Å; F66-I107 HydrophobicContact CB-CG2 4.42Å; L79-I107 HydrophobicContact CB-CG2 4.17Å; L79-I107 WeakPolarHBondContact CB-O 3.33Å; L79-I107 HydrophobicContact CD2-CG2 4.15Å; L79-I107 PolarHBondContact N-O 2.82Å; F102-I107 PolarHBondContact O-N 2.74Å; F102-I107 VanDerWaalsContact O-N 3.16Å; S105-I107 PolarHBondContact O-N 3.03Å; S105-I107 VanDerWaalsContact O-N 3.14Å
108	A	93.9	Very high	95	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	149.7	-175.9	0	0	0	0	0	113.8	L79 V81 F102 L103	L79-A108 HydrophobicContact CB-CB 4.26Å; L79-A108 CarbonylContact O-C 3.54Å; L79-A108 WeakPolarHBondContact O-CA 2.97Å; L79-A108 VanDerWaalsContact O-CB 3.24Å; L79-A108 WeakPolarHBondContact O-CB 3.48Å; V81-A108 HydrophobicContact CG2-CB 4.33Å; F102-A108 HydrophobicContact CB-CB 3.75Å; F102-A108 PolarHBondContact O-N 3.44Å; L103-A108 HydrophobicContact CD2-CB 4.11Å
109	E	95.1	Very high	95.2	Very high	103 Å²	103	34.1 Å²	34.1	48%	0.481	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-49.4	169.9	-164.4	-174.7	150.6	0	0	110.4	K78 L79 R80	K78-E109 HydrophobicContact CB-CB 3.89Å; L79-E109 PolarHBondContact O-N 2.8Å; R80-E109 HydrophobicContact CG-CB 4.39Å
110	Y	97.8	Very high	95.2	Very high	13 Å²	13	37.2 Å²	37.2	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	162.7	179.2	65.2	-97	0	0	0	110.8	R80 V81 S168 D200	R80-Y110 HydrophobicContact CB-CE1 3.99Å; R80-Y110 HydrophobicContact CB-CE2 4.21Å; R80-Y110 HydrophobicContact CG-CD1 4.2Å; R80-Y110 HydrophobicContact CG-CE1 3.55Å; V81-Y110 PolarHBondContact N-O 2.96Å; V81-Y110 VanDerWaalsContact N-O 3.16Å; Y110-S168 CarbonylContact C-O 3.57Å; Y110-S168 WeakPolarHBondContact CA-O 3.47Å; Y110-S168 WeakPolarHBondContact CB-O 3.38Å; Y110-D200 WeakPolarHBondContact OH-CB 3.47Å; Y110-D200 PolarHBondContact OH-O 2.83Å
111	V	98.5	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.8	172.7	-173.8	0	0	0	0	109	V81 I83 A99 F102 L103 F113 S168 F169 R170	V81-V111 HydrophobicContact CB-CG1 4.22Å; V81-V111 HydrophobicContact CB-CG2 4.2Å; V81-V111 HydrophobicContact CG1-CG1 4.29Å; V81-V111 CarbonylContact O-C 3.5Å; V81-V111 WeakPolarHBondContact O-CA 3.45Å; I83-V111 HydrophobicContact CD1-CG1 3.79Å; I83-V111 HydrophobicContact CG1-CG1 3.98Å; A99-V111 HydrophobicContact CB-CB 3.95Å; A99-V111 HydrophobicContact CB-CG1 3.73Å; A99-V111 HydrophobicContact CB-CG2 3.9Å; F102-V111 HydrophobicContact CB-CG2 4.46Å; L103-V111 HydrophobicContact CG-CG2 4.45Å; V111-F113 HydrophobicContact CG1-CE1 4.43Å; V111-F113 HydrophobicContact CG1-CE2 4.31Å; V111-F113 HydrophobicContact CG1-CZ 4.14Å; V111-S168 PolarHBondContact N-O 3.36Å; V111-F169 HydrophobicContact CB-CD1 4.15Å; V111-F169 HydrophobicContact CB-CE1 4.3Å; V111-F169 HydrophobicContact CG2-CE1 4.38Å; V111-F169 CarbonylContact O-C 3.17Å; V111-F169 WeakPolarHBondContact O-CA 3.4Å; V111-R170 PolarHBondContact O-N 3.01Å
112	S	98.6	Very high	95.2	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.8	173.8	62.7	0	0	0	0	110.8	V81 A82 I83 H114 R170	V81-S112 PolarHBondContact O-N 3.48Å; V81-S112 PolarHBondContact O-OG 3.22Å; A82-S112 CarbonylContact C-O 3.51Å; A82-S112 VanDerWaalsContact CA-O 3.28Å; A82-S112 WeakPolarHBondContact CA-O 3.49Å; A82-S112 WeakPolarHBondContact CA-OG 3.28Å; I83-S112 PolarHBondContact N-O 2.84Å; S112-H114 PolarHBondContact OG-NE2 3.28Å; S112-R170 CarbonylContact C-O 3.51Å; S112-R170 VanDerWaalsContact CA-O 3.3Å; S112-R170 WeakPolarHBondContact CA-O 3.42Å
113	F	98.7	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132	174.3	-59.8	-84.3	0	0	0	109	I83 L85 L96 A99 V111 F130 F169 R170 F171 K172	I83-F113 HydrophobicContact CB-CD1 4.25Å; I83-F113 HydrophobicContact CD1-CD1 4.43Å; I83-F113 HydrophobicContact CD1-CE1 3.99Å; I83-F113 CarbonylContact O-C 3.6Å; I83-F113 WeakPolarHBondContact O-CA 3.42Å; L85-F113 HydrophobicContact CD1-CB 3.93Å; L85-F113 HydrophobicContact CD1-CD1 4.36Å; L85-F113 HydrophobicContact CD2-CD1 4.11Å; L85-F113 HydrophobicContact CG-CB 4.45Å; L85-F113 HydrophobicContact CG-CD1 4.46Å; L96-F113 HydrophobicContact CD2-CE1 4.18Å; L96-F113 HydrophobicContact CD2-CE2 4.08Å; L96-F113 HydrophobicContact CD2-CZ 3.67Å; L96-F113 HydrophobicContact CG-CZ 4.48Å; A99-F113 HydrophobicContact CB-CE1 4.02Å; A99-F113 HydrophobicContact CB-CE2 4.32Å; A99-F113 HydrophobicContact CB-CZ 3.39Å; V111-F113 HydrophobicContact CG1-CE1 4.43Å; V111-F113 HydrophobicContact CG1-CE2 4.31Å; V111-F113 HydrophobicContact CG1-CZ 4.14Å; F113-F130 HydrophobicContact CB-CE2 4.08Å; F113-F130 HydrophobicContact CB-CZ 4.49Å; F113-F130 HydrophobicContact CD1-CE2 4.23Å; F113-F130 AromaticContact CD2-CE2 3.97Å; F113-F130 HydrophobicContact CD2-CE2 3.97Å; F113-F130 AromaticContact CD2-CZ 3.8Å; F113-F130 HydrophobicContact CD2-CZ 3.8Å; F113-F130 HydrophobicContact CE2-CE2 4.46Å; F113-F130 HydrophobicContact CE2-CZ 4.19Å; F113-F130 AromaticContact CG-CE2 3.83Å; F113-F130 HydrophobicContact CG-CE2 3.83Å; F113-F130 HydrophobicContact CG-CZ 4.14Å; F113-F169 HydrophobicContact CE2-CB 3.96Å; F113-F169 HydrophobicContact CE2-CD1 4.01Å; F113-F169 AromaticContact CE2-CD2 3.79Å; F113-F169 HydrophobicContact CE2-CD2 3.79Å; F113-F169 HydrophobicContact CE2-CE1 4.47Å; F113-F169 HydrophobicContact CE2-CE2 4.25Å; F113-F169 AromaticContact CE2-CG 3.67Å; F113-F169 HydrophobicContact CE2-CG 3.67Å; F113-F169 HydrophobicContact CZ-CD1 4.48Å; F113-F169 HydrophobicContact CZ-CD2 4.23Å; F113-F169 HydrophobicContact CZ-CE2 4.24Å; F113-F169 HydrophobicContact CZ-CG 4.37Å; F113-F169 HydrophobicContact CZ-CZ 4.4Å; F113-R170 PolarHBondContact N-O 3.23Å; F113-F171 HydrophobicContact CB-CD2 3.93Å; F113-F171 CarbonylContact O-C 3.49Å; F113-F171 WeakPolarHBondContact O-CA 3.41Å; F113-K172 PolarHBondContact O-N 2.8Å
114	H	98.7	Very high	95.5	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.023	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	105.6	178.6	-65.2	-111.8	0	0	0	109.1	I83 I84 L85 S112 K172 W177	I83-H114 PolarHBondContact O-N 3.41Å; I84-H114 HydrophobicContact CD1-CB 3.56Å; L85-H114 WeakPolarHBondContact CB-O 3.3Å; L85-H114 PolarHBondContact N-O 3.09Å; S112-H114 PolarHBondContact OG-NE2 3.28Å; H114-K172 WeakPolarHBondContact CA-O 3.33Å; H114-W177 HydrophobicContact CB-CZ2 4.19Å; H114-W177 AromaticContact ND1-CZ2 3.84Å; H114-W177 AromaticContact ND1-NE1 3.83Å
115	G	98.5	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	177.2	175.7	0	0	0	0	0	112.9	V125 K172	G115-V125 CarbonylContact C-O 3.23Å; G115-V125 VanDerWaalsContact CA-O 3.26Å; G115-V125 WeakPolarHBondContact CA-O 3.48Å; G115-K172 PolarHBondContact N-O 3.07Å
116	K	98.6	Very high	96.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-81.6	144.9	178.3	-52.2	-49.8	-166.6	-52.8	0	111	L85 W120 D124 V125 T126 W177 T178	L85-K116 PolarHBondContact O-NZ 2.72Å; K116-W120 HydrophobicContact CB-CB 4.04Å; K116-W120 HydrophobicContact CG-CB 3.97Å; K116-W120 HydrophobicContact CG-CG 4.38Å; K116-D124 WeakPolarHBondContact CE-OD2 3.34Å; K116-D124 HydrophobicContact CG-CB 3.62Å; K116-D124 IonicContact NZ-OD2 3.6Å; K116-D124 PolarHBondContact NZ-OD2 3.22Å; K116-V125 PolarHBondContact N-O 3.06Å; K116-T126 WeakPolarHBondContact O-CA 3.31Å; K116-W177 HydrophobicContact CD-CB 3.83Å; K116-T178 HydrophobicContact CB-CG2 3.73Å; K116-T178 HydrophobicContact CD-CG2 4.15Å; K116-T178 HydrophobicContact CG-CG2 4.3Å
117	S	97.9	Very high	96.7	Very high	35 Å²	35	35.6 Å²	35.6	25%	0.245	20%	0.198	C	C	.	.	S	Bend	trans	-77.7	-22	-179.5	-64.9	0	0	0	0	113.7	S174 Y175	S117-S174 PolarHBondContact OG-O 2.78Å; S117-Y175 PolarHBondContact OG-N 2.78Å
118	I	98	Very high	97.1	Very high	72 Å²	72	43.2 Å²	43.2	37%	0.369	23%	0.231	S	C	.	.	S	Bend	trans	-135.3	161.2	179.6	58.9	169.5	0	0	0	108.9	W120 Y175 T178	I118-W120 HydrophobicContact CD1-CE3 3.9Å; I118-W120 HydrophobicContact CD1-CZ3 4.08Å; I118-W120 HydrophobicContact CG1-CE3 4.14Å; I118-W120 PolarHBondContact O-N 2.67Å; I118-Y175 HydrophobicContact CG2-CE1 4.35Å; I118-T178 HydrophobicContact CG1-CG2 3.87Å
119	P	97.7	Very high	97.2	Very high	118 Å²	118	45.6 Å²	45.6	77%	0.766	24%	0.243	S	C	*	.			trans	-50.2	127.1	166	-25.9	35.4	0	0	0	110
120	W	97.5	Very high	97.3	Very high	65 Å²	65	41.1 Å²	41.1	25%	0.246	22%	0.222	C	C	.	.			trans	-145.9	137.7	-169.3	-162.6	-109	0	0	0	108.7	K116 I118 V122 D124 T178	K116-W120 HydrophobicContact CB-CB 4.04Å; K116-W120 HydrophobicContact CG-CB 3.97Å; K116-W120 HydrophobicContact CG-CG 4.38Å; I118-W120 HydrophobicContact CD1-CE3 3.9Å; I118-W120 HydrophobicContact CD1-CZ3 4.08Å; I118-W120 HydrophobicContact CG1-CE3 4.14Å; I118-W120 PolarHBondContact O-N 2.67Å; W120-V122 PolarHBondContact O-N 2.9Å; W120-D124 HydrophobicContact CB-CB 4.21Å; W120-D124 WeakPolarHBondContact O-CB 3.04Å; W120-D124 PolarHBondContact O-N 3.21Å; W120-T178 HydrophobicContact CB-CG2 4.18Å; W120-T178 HydrophobicContact CD2-CG2 3.86Å; W120-T178 HydrophobicContact CE3-CG2 4.12Å; W120-T178 HydrophobicContact CG-CG2 3.89Å; W120-T178 VanDerWaalsContact CH2-O 3.24Å; W120-T178 WeakPolarHBondContact CH2-O 3.24Å
121	F	94.5	Very high	97.1	Very high	111 Å²	111	45 Å²	45	49%	0.487	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	40.8	175.6	-85.5	-105.5	0	0	0	115.3	S123 D124 L210	F121-S123 PolarHBondContact O-N 3.08Å; F121-D124 VanDerWaalsContact CB-OD1 3.3Å; F121-D124 WeakPolarHBondContact CB-OD1 3.26Å; F121-L210 HydrophobicContact CD1-CD2 4.26Å; F121-L210 HydrophobicContact CD2-CD2 3.68Å; F121-L210 HydrophobicContact CE1-CD1 4.33Å; F121-L210 HydrophobicContact CE1-CD2 4.39Å; F121-L210 HydrophobicContact CE2-CD1 4.33Å; F121-L210 HydrophobicContact CE2-CD2 3.82Å; F121-L210 HydrophobicContact CG-CD2 3.9Å; F121-L210 HydrophobicContact CZ-CD1 4.01Å; F121-L210 HydrophobicContact CZ-CD2 4.18Å
122	V	93	Very high	96.9	Very high	139 Å²	139	52 Å²	52	84%	0.842	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-63.8	178	-171.8	0	0	0	0	113.9	L24 W120	L24-V122 HydrophobicContact CD1-CG1 4.2Å; W120-V122 PolarHBondContact O-N 2.9Å
123	S	94.2	Very high	96.5	Very high	9 Å²	9	53 Å²	53	6%	0.063	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-3.4	-170.7	36.4	0	0	0	0	114.8	N87 S88 F121	N87-S123 CarbonylContact C-O 3.55Å; N87-S123 WeakPolarHBondContact CA-O 3.34Å; N87-S123 VanDerWaalsContact OD1-CB 3.31Å; N87-S123 WeakPolarHBondContact OD1-CB 3.41Å; N87-S123 PolarHBondContact OD1-OG 3.07Å; S88-S123 WeakPolarHBondContact CB-O 3.41Å; S88-S123 PolarHBondContact N-O 3.04Å; S88-S123 PolarHBondContact OG-O 3.48Å; F121-S123 PolarHBondContact O-N 3.08Å
124	D	97	Very high	96.2	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.032	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-61.6	139.8	-174.4	-71.3	28.3	0	0	0	113.1	D86 K116 W120 F121 T126	D86-D124 CarbonylContact O-C 3.53Å; D86-D124 WeakPolarHBondContact O-CA 3.28Å; K116-D124 WeakPolarHBondContact CE-OD2 3.34Å; K116-D124 HydrophobicContact CG-CB 3.62Å; K116-D124 IonicContact NZ-OD2 3.6Å; K116-D124 PolarHBondContact NZ-OD2 3.22Å; W120-D124 HydrophobicContact CB-CB 4.21Å; W120-D124 WeakPolarHBondContact O-CB 3.04Å; W120-D124 PolarHBondContact O-N 3.21Å; F121-D124 VanDerWaalsContact CB-OD1 3.3Å; F121-D124 WeakPolarHBondContact CB-OD1 3.26Å; D124-T126 PolarHBondContact O-N 3.26Å
125	V	98	Very high	95.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-65.8	117.6	-178.2	-175.2	0	0	0	0	111.7	L85 D86 N87 L92 G115 K116 D129 F130 F171	L85-V125 HydrophobicContact CB-CB 4.15Å; L85-V125 HydrophobicContact CB-CG2 4.21Å; L85-V125 HydrophobicContact CD1-CB 3.96Å; L85-V125 HydrophobicContact CD1-CG1 3.81Å; L85-V125 HydrophobicContact CD1-CG2 4.21Å; D86-V125 PolarHBondContact O-N 3.31Å; N87-V125 VanDerWaalsContact O-CG2 3.22Å; N87-V125 WeakPolarHBondContact O-CG2 3.16Å; L92-V125 HydrophobicContact CB-CG2 4.15Å; L92-V125 HydrophobicContact CD1-CG1 4.5Å; L92-V125 HydrophobicContact CD1-CG2 4.27Å; L92-V125 HydrophobicContact CD2-CG1 3.95Å; L92-V125 HydrophobicContact CD2-CG2 4.05Å; L92-V125 HydrophobicContact CG-CG2 4.38Å; G115-V125 CarbonylContact C-O 3.23Å; G115-V125 VanDerWaalsContact CA-O 3.26Å; G115-V125 WeakPolarHBondContact CA-O 3.48Å; K116-V125 PolarHBondContact N-O 3.06Å; V125-D129 HydrophobicContact CG1-CB 4.44Å; V125-F130 HydrophobicContact CG1-CB 4.03Å; V125-F130 HydrophobicContact CG1-CD2 4.43Å; V125-F171 HydrophobicContact CG1-CE2 4.22Å
126	T	98.4	Very high	95.1	Very high	15 Å²	15	58.5 Å²	58.5	9%	0.092	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-96.5	173.2	162	78.4	0	0	0	0	111.4	K116 D124 K128 D129 F130	K116-T126 WeakPolarHBondContact O-CA 3.31Å; D124-T126 PolarHBondContact O-N 3.26Å; T126-K128 PolarHBondContact O-N 2.59Å; T126-K128 PolarHBondContact OG1-N 2.9Å; T126-D129 WeakPolarHBondContact CA-OD2 3.3Å; T126-D129 VanDerWaalsContact CB-OD2 3.24Å; T126-D129 WeakPolarHBondContact CB-OD2 3.46Å; T126-D129 WeakPolarHBondContact CG2-OD2 3.37Å; T126-D129 PolarHBondContact N-OD2 3.41Å; T126-D129 PolarHBondContact O-N 3.4Å; T126-D129 PolarHBondContact OG1-OD2 2.95Å; T126-F130 PolarHBondContact O-N 3.43Å; T126-F130 VanDerWaalsContact O-N 3.11Å
127	G	97.7	Very high	94.1	Very high	31 Å²	31	61.7 Å²	61.7	32%	0.32	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-26.9	172.6	0	0	0	0	0	114.1	N131 F171	G127-N131 VanDerWaalsContact O-CB 3.28Å; G127-N131 WeakPolarHBondContact O-CB 3.48Å; G127-N131 PolarHBondContact O-N 2.95Å; G127-N131 VanDerWaalsContact O-N 3.1Å; G127-F171 VanDerWaalsContact CA-CZ 3.48Å
128	K	96.7	Very high	92.9	Very high	176 Å²	176	61.8 Å²	61.8	77%	0.765	32%	0.319	S	S	*	.	H	α-helix	trans	-71.2	-44.1	176.6	-67.9	-178	-179.6	177.2	0	111.1	T126 N131 W132	T126-K128 PolarHBondContact O-N 2.59Å; T126-K128 PolarHBondContact OG1-N 2.9Å; K128-N131 PolarHBondContact O-N 3.21Å; K128-W132 VanDerWaalsContact O-CB 3.26Å; K128-W132 WeakPolarHBondContact O-CB 3.35Å; K128-W132 PolarHBondContact O-N 3.44Å
129	D	96.4	Very high	91.6	Very high	55 Å²	55	65.4 Å²	65.4	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-43.7	-179.6	-48	-59.6	0	0	0	110.9	V125 T126 N131 W132 L133	V125-D129 HydrophobicContact CG1-CB 4.44Å; T126-D129 WeakPolarHBondContact CA-OD2 3.3Å; T126-D129 VanDerWaalsContact CB-OD2 3.24Å; T126-D129 WeakPolarHBondContact CB-OD2 3.46Å; T126-D129 WeakPolarHBondContact CG2-OD2 3.37Å; T126-D129 PolarHBondContact N-OD2 3.41Å; T126-D129 PolarHBondContact O-N 3.4Å; T126-D129 PolarHBondContact OG1-OD2 2.95Å; D129-N131 PolarHBondContact O-N 2.99Å; D129-W132 PolarHBondContact O-N 2.94Å; D129-L133 PolarHBondContact O-N 3.34Å
130	F	96.3	Very high	90.2	Very high	8 Å²	8	65.9 Å²	65.9	4%	0.035	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-47	175.6	-167.4	-88.2	0	0	0	111.7	L85 L92 L96 F113 V125 T126 L134 I164 F171	L85-F130 HydrophobicContact CD1-CD2 4.37Å; L92-F130 HydrophobicContact CD1-CD2 3.75Å; L92-F130 HydrophobicContact CD1-CE2 3.95Å; L92-F130 HydrophobicContact CD2-CD2 4.06Å; L92-F130 HydrophobicContact CG-CD2 4.48Å; L96-F130 HydrophobicContact CD2-CE2 3.99Å; L96-F130 HydrophobicContact CD2-CZ 3.95Å; F113-F130 HydrophobicContact CB-CE2 4.08Å; F113-F130 HydrophobicContact CB-CZ 4.49Å; F113-F130 HydrophobicContact CD1-CE2 4.23Å; F113-F130 AromaticContact CD2-CE2 3.97Å; F113-F130 HydrophobicContact CD2-CE2 3.97Å; F113-F130 AromaticContact CD2-CZ 3.8Å; F113-F130 HydrophobicContact CD2-CZ 3.8Å; F113-F130 HydrophobicContact CE2-CE2 4.46Å; F113-F130 HydrophobicContact CE2-CZ 4.19Å; F113-F130 AromaticContact CG-CE2 3.83Å; F113-F130 HydrophobicContact CG-CE2 3.83Å; F113-F130 HydrophobicContact CG-CZ 4.14Å; V125-F130 HydrophobicContact CG1-CB 4.03Å; V125-F130 HydrophobicContact CG1-CD2 4.43Å; T126-F130 PolarHBondContact O-N 3.43Å; T126-F130 VanDerWaalsContact O-N 3.11Å; F130-L134 HydrophobicContact CD1-CD1 3.84Å; F130-L134 HydrophobicContact CD1-CG 4.46Å; F130-L134 HydrophobicContact CE1-CD1 3.47Å; F130-L134 VanDerWaalsContact CE1-CD1 3.47Å; F130-L134 HydrophobicContact CE1-CG 4.3Å; F130-L134 HydrophobicContact CZ-CD1 4.31Å; F130-L134 WeakPolarHBondContact O-CG 3.09Å; F130-L134 PolarHBondContact O-N 3.31Å; F130-I164 HydrophobicContact CE1-CD1 3.8Å; F130-I164 HydrophobicContact CE1-CG1 4.46Å; F130-I164 HydrophobicContact CZ-CD1 4.21Å; F130-F171 HydrophobicContact CB-CD2 3.85Å; F130-F171 HydrophobicContact CB-CE2 3.58Å; F130-F171 HydrophobicContact CB-CZ 4.08Å; F130-F171 HydrophobicContact CD1-CB 4.16Å; F130-F171 AromaticContact CD1-CD2 3.64Å; F130-F171 HydrophobicContact CD1-CD2 3.64Å; F130-F171 HydrophobicContact CD1-CE2 4.28Å; F130-F171 AromaticContact CD1-CG 4Å; F130-F171 HydrophobicContact CD1-CG 4Å; F130-F171 AromaticContact CD2-CD2 3.47Å; F130-F171 HydrophobicContact CD2-CD2 3.47Å; F130-F171 VanDerWaalsContact CD2-CD2 3.47Å; F130-F171 AromaticContact CD2-CE2 3.64Å; F130-F171 HydrophobicContact CD2-CE2 3.64Å; F130-F171 HydrophobicContact CE1-CB 4.05Å; F130-F171 AromaticContact CE1-CD2 3.99Å; F130-F171 HydrophobicContact CE1-CD2 3.99Å; F130-F171 HydrophobicContact CE1-CG 4.31Å; F130-F171 AromaticContact CE2-CD2 3.86Å; F130-F171 HydrophobicContact CE2-CD2 3.86Å; F130-F171 HydrophobicContact CE2-CE2 4.39Å; F130-F171 AromaticContact CG-CD2 3.36Å; F130-F171 HydrophobicContact CG-CD2 3.36Å; F130-F171 AromaticContact CG-CE2 3.58Å; F130-F171 HydrophobicContact CG-CE2 3.58Å; F130-F171 HydrophobicContact CG-CG 4.13Å; F130-F171 HydrophobicContact CG-CZ 4.48Å; F130-F171 HydrophobicContact CZ-CD2 4.1Å
131	N	95.1	Very high	88.8	Confident	96 Å²	96	65.9 Å²	65.9	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-68.2	-37	178.3	-175.4	66.4	0	0	0	112.6	G127 K128 D129 L134 N135	G127-N131 VanDerWaalsContact O-CB 3.28Å; G127-N131 WeakPolarHBondContact O-CB 3.48Å; G127-N131 PolarHBondContact O-N 2.95Å; G127-N131 VanDerWaalsContact O-N 3.1Å; K128-N131 PolarHBondContact O-N 3.21Å; D129-N131 PolarHBondContact O-N 2.99Å; N131-L134 PolarHBondContact O-N 2.86Å; N131-N135 WeakPolarHBondContact O-CB 3.21Å; N131-N135 PolarHBondContact O-N 2.8Å; N131-N135 VanDerWaalsContact O-N 3.14Å; N131-N135 PolarHBondContact O-ND2 3.45Å; N131-N135 PolarHBondContact OD1-ND2 3.26Å
132	W	93.2	Very high	87.1	Confident	145 Å²	145	70 Å²	70	55%	0.549	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-49.5	175.6	177.6	86.7	0	0	0	110.6	K128 D129 L134 N135 M136	K128-W132 VanDerWaalsContact O-CB 3.26Å; K128-W132 WeakPolarHBondContact O-CB 3.35Å; K128-W132 PolarHBondContact O-N 3.44Å; D129-W132 PolarHBondContact O-N 2.94Å; W132-L134 VanDerWaalsContact C-N 3.26Å; W132-L134 PolarHBondContact O-N 3.08Å; W132-N135 CarbonylContact O-C 3.45Å; W132-N135 PolarHBondContact O-N 2.87Å; W132-N135 VanDerWaalsContact O-N 3.08Å; W132-M136 HydrophobicContact CH2-CG 4.3Å; W132-M136 HydrophobicContact CH2-SD 3.46Å; W132-M136 WeakPolarHBondContact CH2-SD 3.33Å; W132-M136 HydrophobicContact CZ2-CG 3.97Å; W132-M136 HydrophobicContact CZ2-SD 3.68Å; W132-M136 HydrophobicContact CZ3-SD 4.13Å; W132-M136 WeakPolarHBondContact O-CA 3.26Å; W132-M136 WeakPolarHBondContact O-CB 3.31Å; W132-M136 PolarHBondContact O-N 3.48Å
133	L	91.5	Very high	85.6	Confident	26 Å²	26	66.4 Å²	66.4	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-39.3	179	-175.4	72.2	0	0	0	112.4	L92 V93 L96 D129	L92-L133 HydrophobicContact CB-CD2 4.3Å; L92-L133 HydrophobicContact CD2-CB 4.42Å; L92-L133 HydrophobicContact CD2-CD2 3.61Å; L92-L133 HydrophobicContact CG-CD2 3.64Å; V93-L133 HydrophobicContact CG2-CD1 3.93Å; V93-L133 HydrophobicContact CG2-CD2 3.92Å; L96-L133 HydrophobicContact CD1-CD2 3.53Å; D129-L133 PolarHBondContact O-N 3.34Å
134	L	91.9	Very high	83.8	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-73.7	-25.2	179.8	-68.8	-177.6	0	0	0	114.2	F130 N131 W132 W160 R161 I164	F130-L134 HydrophobicContact CD1-CD1 3.84Å; F130-L134 HydrophobicContact CD1-CG 4.46Å; F130-L134 HydrophobicContact CE1-CD1 3.47Å; F130-L134 VanDerWaalsContact CE1-CD1 3.47Å; F130-L134 HydrophobicContact CE1-CG 4.3Å; F130-L134 HydrophobicContact CZ-CD1 4.31Å; F130-L134 WeakPolarHBondContact O-CG 3.09Å; F130-L134 PolarHBondContact O-N 3.31Å; N131-L134 PolarHBondContact O-N 2.86Å; W132-L134 VanDerWaalsContact C-N 3.26Å; W132-L134 PolarHBondContact O-N 3.08Å; L134-W160 HydrophobicContact CD2-CB 3.55Å; L134-W160 HydrophobicContact CD2-CE3 4.16Å; L134-W160 HydrophobicContact CD2-CG 4.49Å; L134-R161 HydrophobicContact CB-CG 4.11Å; L134-R161 VanDerWaalsContact O-CD 3.3Å; L134-R161 WeakPolarHBondContact O-CD 3.17Å; L134-R161 PolarHBondContact O-NE 2.81Å; L134-I164 HydrophobicContact CD1-CD1 4.44Å; L134-I164 HydrophobicContact CD1-CG1 3.82Å
135	N	91	Very high	81.8	Confident	78 Å²	78	74.9 Å²	74.9	42%	0.417	40%	0.395	S	S	.	.	H	α-helix	trans	-118.3	4.9	-173.3	-64	-71.9	0	0	0	113.9	N131 W132 N137 R161	N131-N135 WeakPolarHBondContact O-CB 3.21Å; N131-N135 PolarHBondContact O-N 2.8Å; N131-N135 VanDerWaalsContact O-N 3.14Å; N131-N135 PolarHBondContact O-ND2 3.45Å; N131-N135 PolarHBondContact OD1-ND2 3.26Å; W132-N135 CarbonylContact O-C 3.45Å; W132-N135 PolarHBondContact O-N 2.87Å; W132-N135 VanDerWaalsContact O-N 3.08Å; N135-N137 PolarHBondContact O-N 2.99Å; N135-R161 WeakPolarHBondContact OD1-CD 3.48Å
136	M	83.2	Confident	80.2	Confident	35 Å²	35	78.5 Å²	78.5	17%	0.172	41%	0.414	C	S	.	.			trans	-51	125.7	178.7	-177.9	-179.8	61.4	0	0	109.7	W132 I138 L141 V153	W132-M136 HydrophobicContact CH2-CG 4.3Å; W132-M136 HydrophobicContact CH2-SD 3.46Å; W132-M136 WeakPolarHBondContact CH2-SD 3.33Å; W132-M136 HydrophobicContact CZ2-CG 3.97Å; W132-M136 HydrophobicContact CZ2-SD 3.68Å; W132-M136 HydrophobicContact CZ3-SD 4.13Å; W132-M136 WeakPolarHBondContact O-CA 3.26Å; W132-M136 WeakPolarHBondContact O-CB 3.31Å; W132-M136 PolarHBondContact O-N 3.48Å; M136-I138 PolarHBondContact O-N 3.48Å; M136-L141 HydrophobicContact CE-CD1 3.64Å; M136-L141 HydrophobicContact CE-CD2 3.94Å; M136-L141 HydrophobicContact CE-CG 3.94Å; M136-L141 HydrophobicContact SD-CD1 4.38Å; M136-L141 HydrophobicContact SD-CD2 3.69Å; M136-L141 HydrophobicContact SD-CG 4.01Å; M136-V153 HydrophobicContact CE-CG1 3.9Å
137	N	77.4	Confident	78.8	Confident	69 Å²	69	83.1 Å²	83.1	37%	0.369	44%	0.439	S	S	.	.			trans	-74.2	121.6	176.4	-178.6	1.8	0	0	0	107.9	N135 L139 E140	N135-N137 PolarHBondContact O-N 2.99Å; N137-L139 PolarHBondContact O-N 2.89Å; N137-L139 VanDerWaalsContact O-N 3.1Å; N137-L139 WeakPolarHBondContact OD1-CB 3.41Å; N137-L139 PolarHBondContact OD1-N 2.98Å; N137-L139 VanDerWaalsContact OD1-N 3.15Å; N137-E140 HydrophobicContact CB-CG 3.89Å; N137-E140 WeakPolarHBondContact CB-OE1 3.44Å; N137-E140 VanDerWaalsContact O-CB 3.31Å; N137-E140 WeakPolarHBondContact O-CB 3.4Å; N137-E140 PolarHBondContact O-N 2.89Å
138	I	73	Confident	77.9	Confident	36 Å²	36	88.2 Å²	88.2	19%	0.185	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-64.4	-21.3	-176.3	-149.9	158.4	0	0	0	113	M136 E140 L141 T150 V153	M136-I138 PolarHBondContact O-N 3.48Å; I138-E140 PolarHBondContact O-N 3.21Å; I138-L141 HydrophobicContact CG1-CD1 4.17Å; I138-L141 PolarHBondContact O-N 3.3Å; I138-T150 HydrophobicContact CD1-CG2 3.44Å; I138-T150 VanDerWaalsContact CD1-CG2 3.44Å; I138-T150 WeakPolarHBondContact CD1-O 3.32Å; I138-T150 HydrophobicContact CG1-CG2 3.83Å; I138-T150 HydrophobicContact CG2-CG2 4.48Å; I138-V153 HydrophobicContact CD1-CB 4.19Å; I138-V153 HydrophobicContact CD1-CG1 4.32Å
139	L	69.4	Low	76.8	Confident	149 Å²	149	87.6 Å²	87.6	78%	0.78	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.3	173.6	-59.2	174.4	0	0	0	112.8	N137	N137-L139 PolarHBondContact O-N 2.89Å; N137-L139 VanDerWaalsContact O-N 3.1Å; N137-L139 WeakPolarHBondContact OD1-CB 3.41Å; N137-L139 PolarHBondContact OD1-N 2.98Å; N137-L139 VanDerWaalsContact OD1-N 3.15Å
140	E	69.1	Low	75.7	Confident	128 Å²	128	86.5 Å²	86.5	60%	0.598	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-85.3	-9.8	176.7	-65.4	167.5	-168.8	0	0	112.3	N137 I138 E142	N137-E140 HydrophobicContact CB-CG 3.89Å; N137-E140 WeakPolarHBondContact CB-OE1 3.44Å; N137-E140 VanDerWaalsContact O-CB 3.31Å; N137-E140 WeakPolarHBondContact O-CB 3.4Å; N137-E140 PolarHBondContact O-N 2.89Å; I138-E140 PolarHBondContact O-N 3.21Å; E140-E142 PolarHBondContact O-N 3.14Å
141	L	68.7	Low	75	Confident	65 Å²	65	92.2 Å²	92.2	34%	0.34	47%	0.47	S	S	.	.	S	Bend	trans	-79	106.4	174.4	-72.9	174.7	0	0	0	110.2	M136 I138 G143 A144	M136-L141 HydrophobicContact CE-CD1 3.64Å; M136-L141 HydrophobicContact CE-CD2 3.94Å; M136-L141 HydrophobicContact CE-CG 3.94Å; M136-L141 HydrophobicContact SD-CD1 4.38Å; M136-L141 HydrophobicContact SD-CD2 3.69Å; M136-L141 HydrophobicContact SD-CG 4.01Å; I138-L141 HydrophobicContact CG1-CD1 4.17Å; I138-L141 PolarHBondContact O-N 3.3Å; L141-G143 PolarHBondContact O-N 2.94Å; L141-A144 WeakPolarHBondContact O-CB 3.24Å; L141-A144 PolarHBondContact O-N 2.89Å
142	E	59.1	Low	74.4	Confident	198 Å²	198	90 Å²	90	93%	0.925	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	130	167.3	-67.3	-172.4	163.8	0	0	109.8	E140	E140-E142 PolarHBondContact O-N 3.14Å
143	G	60.6	Low	73.8	Confident	62 Å²	62	85.9 Å²	85.9	64%	0.639	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	9.8	-177.2	0	0	0	0	0	115.8	L141 N145 N146	L141-G143 PolarHBondContact O-N 2.94Å; G143-N145 PolarHBondContact O-N 3.19Å; G143-N146 PolarHBondContact O-N 3.42Å
144	A	55.7	Low	73.4	Confident	33 Å²	33	86.3 Å²	86.3	27%	0.273	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	1.5	175.2	0	0	0	0	0	115.9	L141 N146 T150	L141-A144 WeakPolarHBondContact O-CB 3.24Å; L141-A144 PolarHBondContact O-N 2.89Å; A144-N146 PolarHBondContact O-N 3.16Å; A144-N146 VanDerWaalsContact O-N 3.13Å; A144-T150 PolarHBondContact O-OG1 2.6Å; A144-T150 VanDerWaalsContact O-OG1 3.04Å
145	N	55.1	Low	73.4	Confident	161 Å²	161	92.2 Å²	92.2	86%	0.861	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.9	172.2	-67.8	-13.9	0	0	0	113.6	G143 D147	G143-N145 PolarHBondContact O-N 3.19Å; N145-D147 PolarHBondContact O-N 2.9Å
146	N	64.6	Low	73.4	Confident	75 Å²	75	93.2 Å²	93.2	40%	0.401	48%	0.482	S	S	.	.			trans	-89	96.4	170.3	-167.7	-26	0	0	0	110.6	G143 A144 Q148 Y149 T150	G143-N146 PolarHBondContact O-N 3.42Å; A144-N146 PolarHBondContact O-N 3.16Å; A144-N146 VanDerWaalsContact O-N 3.13Å; N146-Q148 PolarHBondContact O-N 3.15Å; N146-Q148 PolarHBondContact OD1-N 3.48Å; N146-Y149 HydrophobicContact CB-CD2 3.81Å; N146-Y149 HydrophobicContact CB-CE2 4.44Å; N146-Y149 VanDerWaalsContact CG-CD2 3.46Å; N146-Y149 WeakPolarHBondContact ND2-CD2 3.08Å; N146-Y149 WeakPolarHBondContact ND2-CE2 3.26Å; N146-Y149 PolarHBondContact O-N 2.93Å; N146-T150 PolarHBondContact O-N 3.33Å; N146-T150 PolarHBondContact O-OG1 2.87Å
147	D	70.2	Confident	73.7	Confident	112 Å²	112	92.2 Å²	92.2	60%	0.599	48%	0.478	S	S	*	.	H	α-helix	trans	-50.5	-33.9	-176.9	-78.4	-15.3	0	0	0	113.6	N145 Q151	N145-D147 PolarHBondContact O-N 2.9Å; D147-Q151 VanDerWaalsContact O-CB 3.27Å; D147-Q151 WeakPolarHBondContact O-CB 3.22Å; D147-Q151 WeakPolarHBondContact O-CG 3.21Å; D147-Q151 PolarHBondContact O-N 3.14Å
148	Q	77.4	Confident	74.5	Confident	138 Å²	138	93.9 Å²	93.9	65%	0.645	48%	0.482	S	S	*	.	H	α-helix	trans	-71.6	-42.9	-174.7	-170.1	175.4	11.6	0	0	112.9	N146 S152	N146-Q148 PolarHBondContact O-N 3.15Å; N146-Q148 PolarHBondContact OD1-N 3.48Å; Q148-S152 WeakPolarHBondContact O-CB 3.4Å; Q148-S152 PolarHBondContact O-N 3.16Å; Q148-S152 PolarHBondContact O-OG 3Å
149	Y	73.6	Confident	75.5	Confident	164 Å²	164	93.8 Å²	93.8	64%	0.643	48%	0.483	S	S	*	.	H	α-helix	trans	-67.8	-44.4	176.8	-65.7	-61.5	0	0	0	110.6	N146 Q151 S152 V153	N146-Y149 HydrophobicContact CB-CD2 3.81Å; N146-Y149 HydrophobicContact CB-CE2 4.44Å; N146-Y149 VanDerWaalsContact CG-CD2 3.46Å; N146-Y149 WeakPolarHBondContact ND2-CD2 3.08Å; N146-Y149 WeakPolarHBondContact ND2-CE2 3.26Å; N146-Y149 PolarHBondContact O-N 2.93Å; Y149-Q151 PolarHBondContact O-N 3.42Å; Y149-S152 PolarHBondContact O-N 2.67Å; Y149-S152 VanDerWaalsContact O-N 3.13Å; Y149-V153 WeakPolarHBondContact O-CG2 3.44Å; Y149-V153 PolarHBondContact O-N 2.79Å
150	T	74.3	Confident	76.8	Confident	31 Å²	31	87.4 Å²	87.4	19%	0.19	45%	0.449	C	S	.	.	H	α-helix	trans	-56.6	-48.7	176.2	-63.5	0	0	0	0	110.9	I138 A144 N146 S152 V153 S154	I138-T150 HydrophobicContact CD1-CG2 3.44Å; I138-T150 VanDerWaalsContact CD1-CG2 3.44Å; I138-T150 WeakPolarHBondContact CD1-O 3.32Å; I138-T150 HydrophobicContact CG1-CG2 3.83Å; I138-T150 HydrophobicContact CG2-CG2 4.48Å; A144-T150 PolarHBondContact O-OG1 2.6Å; A144-T150 VanDerWaalsContact O-OG1 3.04Å; N146-T150 PolarHBondContact O-N 3.33Å; N146-T150 PolarHBondContact O-OG1 2.87Å; T150-S152 VanDerWaalsContact C-N 3.33Å; T150-S152 PolarHBondContact O-N 2.84Å; T150-V153 PolarHBondContact O-N 2.61Å; T150-S154 WeakPolarHBondContact O-CB 3.43Å; T150-S154 PolarHBondContact O-N 2.88Å
151	Q	80.9	Confident	78.1	Confident	128 Å²	128	85.5 Å²	85.5	60%	0.598	44%	0.436	S	S	*	.	H	α-helix	trans	-61.5	-40.8	176.6	-74.8	171.1	24.4	0	0	112.5	D147 Y149 K155	D147-Q151 VanDerWaalsContact O-CB 3.27Å; D147-Q151 WeakPolarHBondContact O-CB 3.22Å; D147-Q151 WeakPolarHBondContact O-CG 3.21Å; D147-Q151 PolarHBondContact O-N 3.14Å; Y149-Q151 PolarHBondContact O-N 3.42Å; Q151-K155 VanDerWaalsContact O-CB 3.25Å; Q151-K155 WeakPolarHBondContact O-CB 3.39Å; Q151-K155 PolarHBondContact O-N 2.88Å
152	S	82.8	Confident	79.5	Confident	50 Å²	50	90.2 Å²	90.2	35%	0.35	45%	0.449	S	S	.	.	H	α-helix	trans	-65.5	-49	179.9	-61.3	0	0	0	0	112.1	Q148 Y149 T150 S154 K155 W156	Q148-S152 WeakPolarHBondContact O-CB 3.4Å; Q148-S152 PolarHBondContact O-N 3.16Å; Q148-S152 PolarHBondContact O-OG 3Å; Y149-S152 PolarHBondContact O-N 2.67Å; Y149-S152 VanDerWaalsContact O-N 3.13Å; T150-S152 VanDerWaalsContact C-N 3.33Å; T150-S152 PolarHBondContact O-N 2.84Å; S152-S154 PolarHBondContact O-N 2.82Å; S152-K155 PolarHBondContact O-N 3.23Å; S152-W156 PolarHBondContact O-N 3.23Å
153	V	81.4	Confident	81.3	Confident	58 Å²	58	83.4 Å²	83.4	35%	0.352	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-43.6	177.2	173.7	0	0	0	0	110.8	M136 I138 Y149 T150 K155 W156 S157	M136-V153 HydrophobicContact CE-CG1 3.9Å; I138-V153 HydrophobicContact CD1-CB 4.19Å; I138-V153 HydrophobicContact CD1-CG1 4.32Å; Y149-V153 WeakPolarHBondContact O-CG2 3.44Å; Y149-V153 PolarHBondContact O-N 2.79Å; T150-V153 PolarHBondContact O-N 2.61Å; V153-K155 PolarHBondContact O-N 2.74Å; V153-W156 PolarHBondContact O-N 3.01Å; V153-S157 VanDerWaalsContact O-CB 3.28Å; V153-S157 WeakPolarHBondContact O-CB 3.39Å; V153-S157 PolarHBondContact O-N 2.8Å; V153-S157 PolarHBondContact O-OG 2.78Å
154	S	83.2	Confident	83.1	Confident	36 Å²	36	83.2 Å²	83.2	25%	0.252	40%	0.399	S	S	.	.	H	α-helix	trans	-63	-41.4	177.2	-168.7	0	0	0	0	112.2	T150 S152 S157 K158	T150-S154 WeakPolarHBondContact O-CB 3.43Å; T150-S154 PolarHBondContact O-N 2.88Å; S152-S154 PolarHBondContact O-N 2.82Å; S154-S157 PolarHBondContact O-OG 2.93Å; S154-S157 VanDerWaalsContact O-OG 3.04Å; S154-K158 WeakPolarHBondContact O-CD 3.2Å; S154-K158 VanDerWaalsContact O-CG 3.27Å; S154-K158 WeakPolarHBondContact O-CG 3.39Å; S154-K158 PolarHBondContact O-N 2.74Å
155	K	90	Very high	85.1	Confident	130 Å²	130	89.1 Å²	89.1	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-63.3	-53.8	177	178.2	-176.3	175	-175.6	0	111.2	Q151 S152 V153 K158 V159	Q151-K155 VanDerWaalsContact O-CB 3.25Å; Q151-K155 WeakPolarHBondContact O-CB 3.39Å; Q151-K155 PolarHBondContact O-N 2.88Å; S152-K155 PolarHBondContact O-N 3.23Å; V153-K155 PolarHBondContact O-N 2.74Å; K155-K158 WeakPolarHBondContact O-CB 3.44Å; K155-K158 PolarHBondContact O-N 2.72Å; K155-V159 WeakPolarHBondContact O-CG2 3.36Å; K155-V159 PolarHBondContact O-N 2.65Å
156	W	91.9	Very high	87.1	Confident	99 Å²	99	85.9 Å²	85.9	38%	0.375	40%	0.404	S	S	.	.	H	α-helix	trans	-69.8	-38.7	-174.3	-70.8	118.5	0	0	0	112.8	E100 S152 V153 K158 V159 W160	E100-W156 HydrophobicContact CG-CZ3 3.76Å; S152-W156 PolarHBondContact O-N 3.23Å; V153-W156 PolarHBondContact O-N 3.01Å; W156-K158 VanDerWaalsContact C-N 3.29Å; W156-K158 PolarHBondContact O-N 3.01Å; W156-V159 HydrophobicContact CE3-CB 4.27Å; W156-V159 HydrophobicContact CE3-CG1 4.34Å; W156-V159 HydrophobicContact CE3-CG2 4.44Å; W156-V159 HydrophobicContact CZ3-CG1 4.44Å; W156-V159 PolarHBondContact O-N 2.91Å; W156-V159 VanDerWaalsContact O-N 3.11Å; W156-W160 HydrophobicContact CB-CD2 4.35Å; W156-W160 HydrophobicContact CB-CE3 4.34Å; W156-W160 HydrophobicContact CB-CH2 4.01Å; W156-W160 HydrophobicContact CB-CZ2 3.99Å; W156-W160 HydrophobicContact CB-CZ3 4.18Å; W156-W160 HydrophobicContact CD2-CZ2 4.5Å; W156-W160 HydrophobicContact CE3-CZ2 4.44Å; W156-W160 HydrophobicContact CG-CZ2 4.36Å; W156-W160 VanDerWaalsContact O-CG 3.31Å; W156-W160 PolarHBondContact O-N 3.49Å
157	S	90	Very high	88.7	Confident	15 Å²	15	85.4 Å²	85.4	11%	0.105	41%	0.406	C	S	.	.	H	α-helix	trans	-59.7	-38	172.9	60	0	0	0	0	112.4	V153 S154 R161	V153-S157 VanDerWaalsContact O-CB 3.28Å; V153-S157 WeakPolarHBondContact O-CB 3.39Å; V153-S157 PolarHBondContact O-N 2.8Å; V153-S157 PolarHBondContact O-OG 2.78Å; S154-S157 PolarHBondContact O-OG 2.93Å; S154-S157 VanDerWaalsContact O-OG 3.04Å; S157-R161 WeakPolarHBondContact O-CB 3.48Å; S157-R161 VanDerWaalsContact O-CG 3.26Å; S157-R161 WeakPolarHBondContact O-CG 3.41Å; S157-R161 PolarHBondContact O-N 3.42Å; S157-R161 PolarHBondContact O-NE 2.94Å
158	K	92.8	Very high	90	Very high	104 Å²	104	80.7 Å²	80.7	45%	0.452	38%	0.382	S	S	.	.	H	α-helix	trans	-66.2	-43.2	172.8	-74.3	170.5	-176.2	167.1	0	112.1	S154 K155 W156 R162	S154-K158 WeakPolarHBondContact O-CD 3.2Å; S154-K158 VanDerWaalsContact O-CG 3.27Å; S154-K158 WeakPolarHBondContact O-CG 3.39Å; S154-K158 PolarHBondContact O-N 2.74Å; K155-K158 WeakPolarHBondContact O-CB 3.44Å; K155-K158 PolarHBondContact O-N 2.72Å; W156-K158 VanDerWaalsContact C-N 3.29Å; W156-K158 PolarHBondContact O-N 3.01Å; K158-R162 WeakPolarHBondContact O-CG 3.1Å; K158-R162 PolarHBondContact O-N 3.09Å
159	V	95.4	Very high	91	Very high	34 Å²	34	74.2 Å²	74.2	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-53.3	177.3	171.4	0	0	0	0	110.1	K155 W156 R161 R162 R163	K155-V159 WeakPolarHBondContact O-CG2 3.36Å; K155-V159 PolarHBondContact O-N 2.65Å; W156-V159 HydrophobicContact CE3-CB 4.27Å; W156-V159 HydrophobicContact CE3-CG1 4.34Å; W156-V159 HydrophobicContact CE3-CG2 4.44Å; W156-V159 HydrophobicContact CZ3-CG1 4.44Å; W156-V159 PolarHBondContact O-N 2.91Å; W156-V159 VanDerWaalsContact O-N 3.11Å; V159-R161 PolarHBondContact O-N 3.38Å; V159-R162 WeakPolarHBondContact O-CB 3.46Å; V159-R162 PolarHBondContact O-N 3.08Å; V159-R162 VanDerWaalsContact O-N 3.09Å; V159-R163 WeakPolarHBondContact O-CG 3.47Å; V159-R163 PolarHBondContact O-N 3.27Å
160	W	96.9	Very high	92.2	Very high	15 Å²	15	70.3 Å²	70.3	6%	0.057	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-33.8	-176.2	-58.7	-30.4	0	0	0	113.1	V93 L96 L134 W156 R162 R163 I164 F169	V93-W160 HydrophobicContact CG1-CH2 4.25Å; L96-W160 HydrophobicContact CB-CD2 3.97Å; L96-W160 HydrophobicContact CB-CE3 4.15Å; L96-W160 HydrophobicContact CB-CH2 3.81Å; L96-W160 HydrophobicContact CB-CZ2 3.63Å; L96-W160 HydrophobicContact CB-CZ3 4.07Å; L96-W160 HydrophobicContact CD1-CD2 4.21Å; L96-W160 HydrophobicContact CD1-CE3 3.68Å; L96-W160 HydrophobicContact CD1-CH2 4.26Å; L96-W160 HydrophobicContact CD1-CZ3 3.7Å; L96-W160 HydrophobicContact CD2-CD2 4.44Å; L96-W160 HydrophobicContact CD2-CG 4.5Å; L96-W160 HydrophobicContact CG-CD2 4.45Å; L96-W160 HydrophobicContact CG-CE3 4.39Å; L134-W160 HydrophobicContact CD2-CB 3.55Å; L134-W160 HydrophobicContact CD2-CE3 4.16Å; L134-W160 HydrophobicContact CD2-CG 4.49Å; W156-W160 HydrophobicContact CB-CD2 4.35Å; W156-W160 HydrophobicContact CB-CE3 4.34Å; W156-W160 HydrophobicContact CB-CH2 4.01Å; W156-W160 HydrophobicContact CB-CZ2 3.99Å; W156-W160 HydrophobicContact CB-CZ3 4.18Å; W156-W160 HydrophobicContact CD2-CZ2 4.5Å; W156-W160 HydrophobicContact CE3-CZ2 4.44Å; W156-W160 HydrophobicContact CG-CZ2 4.36Å; W156-W160 VanDerWaalsContact O-CG 3.31Å; W156-W160 PolarHBondContact O-N 3.49Å; W160-R162 VanDerWaalsContact C-N 3.31Å; W160-R162 PolarHBondContact O-N 2.97Å; W160-R163 WeakPolarHBondContact O-CB 3.3Å; W160-R163 PolarHBondContact O-N 3.44Å; W160-I164 WeakPolarHBondContact O-CG1 3.46Å; W160-I164 PolarHBondContact O-N 3.21Å; W160-F169 HydrophobicContact CB-CD2 4.42Å; W160-F169 HydrophobicContact CB-CE2 4.26Å; W160-F169 AromaticContact CD1-CE2 3.52Å; W160-F169 HydrophobicContact CG-CE2 4.02Å
161	R	96.3	Very high	93.3	Very high	88 Å²	88	71.6 Å²	71.6	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-39.3	170.2	-78.3	-172.7	-66.1	174.8	-5.3	112.5	L134 N135 S157 V159 I164 Q165	L134-R161 HydrophobicContact CB-CG 4.11Å; L134-R161 VanDerWaalsContact O-CD 3.3Å; L134-R161 WeakPolarHBondContact O-CD 3.17Å; L134-R161 PolarHBondContact O-NE 2.81Å; N135-R161 WeakPolarHBondContact OD1-CD 3.48Å; S157-R161 WeakPolarHBondContact O-CB 3.48Å; S157-R161 VanDerWaalsContact O-CG 3.26Å; S157-R161 WeakPolarHBondContact O-CG 3.41Å; S157-R161 PolarHBondContact O-N 3.42Å; S157-R161 PolarHBondContact O-NE 2.94Å; V159-R161 PolarHBondContact O-N 3.38Å; R161-I164 PolarHBondContact O-N 2.88Å; R161-Q165 VanDerWaalsContact O-CG 3.29Å; R161-Q165 WeakPolarHBondContact O-CG 3.36Å; R161-Q165 PolarHBondContact O-N 3.5Å
162	R	97.2	Very high	94.1	Very high	163 Å²	163	68.8 Å²	68.8	62%	0.615	33%	0.325	S	S	*	.	H	α-helix	trans	-64	-41	173.7	-70.2	173	-177.1	169.8	-0.3	111.5	K158 V159 W160 I164 Q165 D166	K158-R162 WeakPolarHBondContact O-CG 3.1Å; K158-R162 PolarHBondContact O-N 3.09Å; V159-R162 WeakPolarHBondContact O-CB 3.46Å; V159-R162 PolarHBondContact O-N 3.08Å; V159-R162 VanDerWaalsContact O-N 3.09Å; W160-R162 VanDerWaalsContact C-N 3.31Å; W160-R162 PolarHBondContact O-N 2.97Å; R162-I164 VanDerWaalsContact C-N 3.27Å; R162-I164 PolarHBondContact O-N 2.98Å; R162-Q165 WeakPolarHBondContact O-CB 3.48Å; R162-Q165 PolarHBondContact O-N 3.36Å; R162-Q165 VanDerWaalsContact O-N 3.11Å; R162-D166 VanDerWaalsContact O-CG 3.24Å; R162-D166 PolarHBondContact O-N 3.14Å
163	R	97.9	Very high	94.9	Very high	55 Å²	55	70 Å²	70	21%	0.208	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-37.8	174.2	-60.4	-65.8	-173	-169.6	2.6	112.6	E100 V159 W160 D166 S167 S168 F169	E100-R163 IonicContact OE1-CZ 3.73Å; E100-R163 IonicContact OE1-NE 2.91Å; E100-R163 PolarHBondContact OE1-NE 3.44Å; E100-R163 IonicContact OE1-NH2 3.69Å; E100-R163 PolarHBondContact OE1-NH2 2.95Å; E100-R163 IonicContact OE2-CZ 2.82Å; E100-R163 IonicContact OE2-NE 3.68Å; E100-R163 PolarHBondContact OE2-NE 3.21Å; E100-R163 IonicContact OE2-NH2 3.76Å; V159-R163 WeakPolarHBondContact O-CG 3.47Å; V159-R163 PolarHBondContact O-N 3.27Å; W160-R163 WeakPolarHBondContact O-CB 3.3Å; W160-R163 PolarHBondContact O-N 3.44Å; R163-D166 WeakPolarHBondContact CA-OD1 3.33Å; R163-S167 PolarHBondContact O-N 3.16Å; R163-S168 WeakPolarHBondContact CA-OG 3.17Å; R163-S168 WeakPolarHBondContact CD-OG 3.44Å; R163-S168 PolarHBondContact O-N 2.78Å; R163-S168 PolarHBondContact O-OG 3.39Å; R163-F169 HydrophobicContact CB-CB 3.72Å; R163-F169 HydrophobicContact CB-CD1 3.96Å; R163-F169 HydrophobicContact CB-CD2 3.53Å; R163-F169 HydrophobicContact CB-CE1 4.46Å; R163-F169 HydrophobicContact CB-CE2 4.1Å; R163-F169 HydrophobicContact CB-CG 3.43Å; R163-F169 VanDerWaalsContact CB-CG 3.43Å; R163-F169 HydrophobicContact CG-CD1 4.36Å; R163-F169 HydrophobicContact CG-CD2 4.06Å; R163-F169 HydrophobicContact CG-CE1 4.39Å; R163-F169 HydrophobicContact CG-CE2 4.11Å; R163-F169 HydrophobicContact CG-CG 4.18Å; R163-F169 HydrophobicContact CG-CZ 4.25Å; R163-F169 PolarHBondContact O-N 2.68Å
164	I	97.8	Very high	95.7	Very high	58 Å²	58	67.9 Å²	67.9	30%	0.297	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-44.4	174.2	-64.9	-69.3	0	0	0	110.6	F130 L134 W160 R161 R162 D166 S167 F169	F130-I164 HydrophobicContact CE1-CD1 3.8Å; F130-I164 HydrophobicContact CE1-CG1 4.46Å; F130-I164 HydrophobicContact CZ-CD1 4.21Å; L134-I164 HydrophobicContact CD1-CD1 4.44Å; L134-I164 HydrophobicContact CD1-CG1 3.82Å; W160-I164 WeakPolarHBondContact O-CG1 3.46Å; W160-I164 PolarHBondContact O-N 3.21Å; R161-I164 PolarHBondContact O-N 2.88Å; R162-I164 VanDerWaalsContact C-N 3.27Å; R162-I164 PolarHBondContact O-N 2.98Å; I164-D166 PolarHBondContact O-N 3.13Å; I164-S167 PolarHBondContact O-N 3.12Å; I164-F169 HydrophobicContact CD1-CB 3.6Å; I164-F169 HydrophobicContact CG1-CB 4.17Å
165	Q	97.5	Very high	96.4	Very high	157 Å²	157	74.2 Å²	74.2	73%	0.734	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-39.8	179.6	-72.4	169.6	-14.6	0	0	113	R161 R162 S167	R161-Q165 VanDerWaalsContact O-CG 3.29Å; R161-Q165 WeakPolarHBondContact O-CG 3.36Å; R161-Q165 PolarHBondContact O-N 3.5Å; R162-Q165 WeakPolarHBondContact O-CB 3.48Å; R162-Q165 PolarHBondContact O-N 3.36Å; R162-Q165 VanDerWaalsContact O-N 3.11Å; Q165-S167 VanDerWaalsContact C-N 3.29Å
166	D	97.5	Very high	96.8	Very high	94 Å²	94	68.2 Å²	68.2	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	3.7	177.9	70.6	22.9	0	0	0	113.7	R162 R163 I164 S168	R162-D166 VanDerWaalsContact O-CG 3.24Å; R162-D166 PolarHBondContact O-N 3.14Å; R163-D166 WeakPolarHBondContact CA-OD1 3.33Å; I164-D166 PolarHBondContact O-N 3.13Å; D166-S168 PolarHBondContact O-N 3.08Å; D166-S168 WeakPolarHBondContact OD1-CB 3.44Å; D166-S168 PolarHBondContact OD1-N 3.1Å; D166-S168 PolarHBondContact OD1-OG 2.86Å
167	S	97.7	Very high	97.1	Very high	64 Å²	64	63.6 Å²	63.6	45%	0.448	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	15.5	-179.3	-57	0	0	0	0	115.6	R163 I164 Q165 R170	R163-S167 PolarHBondContact O-N 3.16Å; I164-S167 PolarHBondContact O-N 3.12Å; Q165-S167 VanDerWaalsContact C-N 3.29Å; S167-R170 WeakPolarHBondContact O-CG 3.33Å; S167-R170 PolarHBondContact O-NE 3.42Å
168	S	97.9	Very high	97.5	Very high	14 Å²	14	63.6 Å²	63.6	10%	0.098	29%	0.293	C	S	.	.	S	Bend	trans	-75.2	-27.3	169	64.4	0	0	0	0	112	Y110 V111 R163 D166	Y110-S168 CarbonylContact C-O 3.57Å; Y110-S168 WeakPolarHBondContact CA-O 3.47Å; Y110-S168 WeakPolarHBondContact CB-O 3.38Å; V111-S168 PolarHBondContact N-O 3.36Å; R163-S168 WeakPolarHBondContact CA-OG 3.17Å; R163-S168 WeakPolarHBondContact CD-OG 3.44Å; R163-S168 PolarHBondContact O-N 2.78Å; R163-S168 PolarHBondContact O-OG 3.39Å; D166-S168 PolarHBondContact O-N 3.08Å; D166-S168 WeakPolarHBondContact OD1-CB 3.44Å; D166-S168 PolarHBondContact OD1-N 3.1Å; D166-S168 PolarHBondContact OD1-OG 2.86Å
169	F	98.4	Very high	97.7	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.1	157	-74.1	-1.1	0	0	0	109.4	L96 A99 E100 L103 V111 F113 W160 R163 I164	L96-F169 HydrophobicContact CD2-CD2 4.09Å; L96-F169 HydrophobicContact CD2-CE2 3.86Å; A99-F169 HydrophobicContact CB-CD1 4.34Å; A99-F169 HydrophobicContact CB-CE1 3.45Å; A99-F169 VanDerWaalsContact CB-CE1 3.45Å; A99-F169 HydrophobicContact CB-CE2 4.33Å; A99-F169 HydrophobicContact CB-CZ 3.46Å; A99-F169 VanDerWaalsContact CB-CZ 3.46Å; E100-F169 HydrophobicContact CB-CZ 4.2Å; L103-F169 HydrophobicContact CD1-CD1 3.62Å; L103-F169 HydrophobicContact CD1-CE1 3.33Å; L103-F169 HydrophobicContact CD1-CZ 4.34Å; L103-F169 HydrophobicContact CG-CE1 4.18Å; V111-F169 HydrophobicContact CB-CD1 4.15Å; V111-F169 HydrophobicContact CB-CE1 4.3Å; V111-F169 HydrophobicContact CG2-CE1 4.38Å; V111-F169 CarbonylContact O-C 3.17Å; V111-F169 WeakPolarHBondContact O-CA 3.4Å; F113-F169 HydrophobicContact CE2-CB 3.96Å; F113-F169 HydrophobicContact CE2-CD1 4.01Å; F113-F169 AromaticContact CE2-CD2 3.79Å; F113-F169 HydrophobicContact CE2-CD2 3.79Å; F113-F169 HydrophobicContact CE2-CE1 4.47Å; F113-F169 HydrophobicContact CE2-CE2 4.25Å; F113-F169 AromaticContact CE2-CG 3.67Å; F113-F169 HydrophobicContact CE2-CG 3.67Å; F113-F169 HydrophobicContact CZ-CD1 4.48Å; F113-F169 HydrophobicContact CZ-CD2 4.23Å; F113-F169 HydrophobicContact CZ-CE2 4.24Å; F113-F169 HydrophobicContact CZ-CG 4.37Å; F113-F169 HydrophobicContact CZ-CZ 4.4Å; W160-F169 HydrophobicContact CB-CD2 4.42Å; W160-F169 HydrophobicContact CB-CE2 4.26Å; W160-F169 AromaticContact CD1-CE2 3.52Å; W160-F169 HydrophobicContact CG-CE2 4.02Å; R163-F169 HydrophobicContact CB-CB 3.72Å; R163-F169 HydrophobicContact CB-CD1 3.96Å; R163-F169 HydrophobicContact CB-CD2 3.53Å; R163-F169 HydrophobicContact CB-CE1 4.46Å; R163-F169 HydrophobicContact CB-CE2 4.1Å; R163-F169 HydrophobicContact CB-CG 3.43Å; R163-F169 VanDerWaalsContact CB-CG 3.43Å; R163-F169 HydrophobicContact CG-CD1 4.36Å; R163-F169 HydrophobicContact CG-CD2 4.06Å; R163-F169 HydrophobicContact CG-CE1 4.39Å; R163-F169 HydrophobicContact CG-CE2 4.11Å; R163-F169 HydrophobicContact CG-CG 4.18Å; R163-F169 HydrophobicContact CG-CZ 4.25Å; R163-F169 PolarHBondContact O-N 2.68Å; I164-F169 HydrophobicContact CD1-CB 3.6Å; I164-F169 HydrophobicContact CG1-CB 4.17Å
170	R	98.2	Very high	97.8	Very high	81 Å²	81	64.6 Å²	64.6	31%	0.306	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.3	178.4	-56.5	176.4	-171.1	172.7	-0.1	108.8	V111 S112 F113 S167	V111-R170 PolarHBondContact O-N 3.01Å; S112-R170 CarbonylContact C-O 3.51Å; S112-R170 VanDerWaalsContact CA-O 3.3Å; S112-R170 WeakPolarHBondContact CA-O 3.42Å; F113-R170 PolarHBondContact N-O 3.23Å; S167-R170 WeakPolarHBondContact O-CG 3.33Å; S167-R170 PolarHBondContact O-NE 3.42Å
171	F	98.2	Very high	97.9	Very high	59 Å²	59	64.9 Å²	64.9	26%	0.259	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.9	172.4	-172.3	-92.2	0	0	0	109.7	L85 F113 V125 G127 F130 T173	L85-F171 HydrophobicContact CD1-CE2 4.1Å; F113-F171 HydrophobicContact CB-CD2 3.93Å; F113-F171 CarbonylContact O-C 3.49Å; F113-F171 WeakPolarHBondContact O-CA 3.41Å; V125-F171 HydrophobicContact CG1-CE2 4.22Å; G127-F171 VanDerWaalsContact CA-CZ 3.48Å; F130-F171 HydrophobicContact CB-CD2 3.85Å; F130-F171 HydrophobicContact CB-CE2 3.58Å; F130-F171 HydrophobicContact CB-CZ 4.08Å; F130-F171 HydrophobicContact CD1-CB 4.16Å; F130-F171 AromaticContact CD1-CD2 3.64Å; F130-F171 HydrophobicContact CD1-CD2 3.64Å; F130-F171 HydrophobicContact CD1-CE2 4.28Å; F130-F171 AromaticContact CD1-CG 4Å; F130-F171 HydrophobicContact CD1-CG 4Å; F130-F171 AromaticContact CD2-CD2 3.47Å; F130-F171 HydrophobicContact CD2-CD2 3.47Å; F130-F171 VanDerWaalsContact CD2-CD2 3.47Å; F130-F171 AromaticContact CD2-CE2 3.64Å; F130-F171 HydrophobicContact CD2-CE2 3.64Å; F130-F171 HydrophobicContact CE1-CB 4.05Å; F130-F171 AromaticContact CE1-CD2 3.99Å; F130-F171 HydrophobicContact CE1-CD2 3.99Å; F130-F171 HydrophobicContact CE1-CG 4.31Å; F130-F171 AromaticContact CE2-CD2 3.86Å; F130-F171 HydrophobicContact CE2-CD2 3.86Å; F130-F171 HydrophobicContact CE2-CE2 4.39Å; F130-F171 AromaticContact CG-CD2 3.36Å; F130-F171 HydrophobicContact CG-CD2 3.36Å; F130-F171 AromaticContact CG-CE2 3.58Å; F130-F171 HydrophobicContact CG-CE2 3.58Å; F130-F171 HydrophobicContact CG-CG 4.13Å; F130-F171 HydrophobicContact CG-CZ 4.48Å; F130-F171 HydrophobicContact CZ-CD2 4.1Å; F171-T173 HydrophobicContact CD1-CG2 4.45Å; F171-T173 HydrophobicContact CE1-CG2 3.58Å; F171-T173 HydrophobicContact CZ-CG2 4.18Å
172	K	98.1	Very high	97.9	Very high	68 Å²	68	61.9 Å²	61.9	30%	0.296	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.6	-179.1	-64.7	-174.4	176.8	-174.5	0	109.9	F113 H114 G115	F113-K172 PolarHBondContact O-N 2.8Å; H114-K172 WeakPolarHBondContact CA-O 3.33Å; G115-K172 PolarHBondContact N-O 3.07Å
173	T	97.9	Very high	98	Very high	75 Å²	75	54.3 Å²	54.3	46%	0.46	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.7	171.2	55.3	0	0	0	0	109.1	F171	F171-T173 HydrophobicContact CD1-CG2 4.45Å; F171-T173 HydrophobicContact CE1-CG2 3.58Å; F171-T173 HydrophobicContact CZ-CG2 4.18Å
174	S	97.9	Very high	97.9	Very high	15 Å²	15	54.2 Å²	54.2	11%	0.105	28%	0.284	C	S	.	.			trans	-141.7	142.6	164.7	167.6	0	0	0	0	108.1	S117 F176 W177 D190	S117-S174 PolarHBondContact OG-O 2.78Å; S174-F176 PolarHBondContact O-N 3.37Å; S174-F176 WeakPolarHBondContact OG-CB 3.03Å; S174-F176 PolarHBondContact OG-N 3.18Å; S174-W177 PolarHBondContact O-N 3.27Å; S174-D190 PolarHBondContact OG-OD2 2.94Å
175	Y	98	Very high	97.9	Very high	168 Å²	168	55 Å²	55	66%	0.659	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-60.8	-22.7	172.8	-78.6	-74.4	0	0	0	112.6	S117 I118 W177 T178 T179	S117-Y175 PolarHBondContact OG-N 2.78Å; I118-Y175 HydrophobicContact CG2-CE1 4.35Å; Y175-W177 PolarHBondContact O-N 2.92Å; Y175-T178 CarbonylContact O-C 3.56Å; Y175-T178 PolarHBondContact O-N 2.98Å; Y175-T178 PolarHBondContact O-OG1 3.19Å; Y175-T179 WeakPolarHBondContact O-CG2 3.21Å; Y175-T179 PolarHBondContact O-N 3.07Å
176	F	98.6	Very high	97.9	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.022	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-52.2	-41.6	173.6	177.4	-89.9	0	0	0	112.1	S174 T178 T179 C181 Y183 I186 V189 D190 L193	S174-F176 PolarHBondContact O-N 3.37Å; S174-F176 WeakPolarHBondContact OG-CB 3.03Å; S174-F176 PolarHBondContact OG-N 3.18Å; F176-T178 PolarHBondContact O-N 3.09Å; F176-T178 VanDerWaalsContact O-N 3.08Å; F176-T179 PolarHBondContact O-N 3.32Å; F176-T179 VanDerWaalsContact O-N 3.09Å; F176-T179 PolarHBondContact O-OG1 3.23Å; F176-C181 HydrophobicContact CE2-CB 3.9Å; F176-C181 HydrophobicContact CZ-CB 4.31Å; F176-Y183 AromaticContact CE1-CD1 3.59Å; F176-Y183 HydrophobicContact CE1-CD1 3.59Å; F176-Y183 AromaticContact CE1-CE1 3.86Å; F176-Y183 HydrophobicContact CE1-CE1 3.86Å; F176-Y183 AromaticContact CZ-CD1 3.96Å; F176-Y183 HydrophobicContact CZ-CD1 3.96Å; F176-I186 HydrophobicContact CD1-CG1 4.04Å; F176-I186 HydrophobicContact CE1-CB 4.39Å; F176-I186 HydrophobicContact CE1-CD1 4.11Å; F176-I186 HydrophobicContact CE1-CG1 3.31Å; F176-I186 HydrophobicContact CE2-CB 4.29Å; F176-I186 HydrophobicContact CE2-CG1 3.91Å; F176-I186 HydrophobicContact CZ-CB 4.09Å; F176-I186 HydrophobicContact CZ-CD1 4.38Å; F176-I186 HydrophobicContact CZ-CG1 3.23Å; F176-V189 HydrophobicContact CD2-CB 3.9Å; F176-V189 HydrophobicContact CD2-CG1 3.83Å; F176-V189 HydrophobicContact CE2-CB 4.12Å; F176-V189 HydrophobicContact CE2-CG1 4.41Å; F176-D190 HydrophobicContact CB-CB 4.09Å; F176-D190 HydrophobicContact CD2-CB 4.5Å; F176-L193 HydrophobicContact CB-CD2 3.86Å; F176-L193 HydrophobicContact CD1-CD2 3.83Å; F176-L193 HydrophobicContact CG-CD2 4Å
177	W	98.5	Very high	97.9	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26.2	-178.3	-56.1	131.9	0	0	0	113.1	I84 H114 K116 S174 Y175 Y183 L193 L197 F206 K214	I84-W177 HydrophobicContact CD1-CH2 3.74Å; I84-W177 HydrophobicContact CD1-CZ2 3.66Å; I84-W177 HydrophobicContact CG1-CH2 4.11Å; I84-W177 HydrophobicContact CG1-CZ2 4.45Å; I84-W177 HydrophobicContact CG2-CD2 4.31Å; I84-W177 HydrophobicContact CG2-CE3 4.05Å; I84-W177 HydrophobicContact CG2-CH2 4.14Å; I84-W177 HydrophobicContact CG2-CZ2 4.36Å; I84-W177 HydrophobicContact CG2-CZ3 3.99Å; H114-W177 HydrophobicContact CB-CZ2 4.19Å; H114-W177 AromaticContact ND1-CZ2 3.84Å; H114-W177 AromaticContact ND1-NE1 3.83Å; K116-W177 HydrophobicContact CD-CB 3.83Å; S174-W177 PolarHBondContact O-N 3.27Å; Y175-W177 PolarHBondContact O-N 2.92Å; W177-Y183 AromaticContact CE3-CE1 3.95Å; W177-Y183 HydrophobicContact CE3-CE1 3.95Å; W177-Y183 HydrophobicContact CZ3-CD1 4.34Å; W177-Y183 AromaticContact CZ3-CE1 3.81Å; W177-Y183 HydrophobicContact CZ3-CE1 3.81Å; W177-L193 HydrophobicContact CD2-CD2 4.43Å; W177-L193 HydrophobicContact CH2-CD2 3.98Å; W177-L193 HydrophobicContact CZ2-CD1 3.76Å; W177-L193 HydrophobicContact CZ2-CD2 3.64Å; W177-L193 HydrophobicContact CZ2-CG 4.19Å; W177-L193 HydrophobicContact CZ3-CD2 4.5Å; W177-L197 HydrophobicContact CH2-CD1 3.94Å; W177-L197 HydrophobicContact CZ2-CD1 4.32Å; W177-F206 HydrophobicContact CH2-CE1 4.4Å; W177-F206 HydrophobicContact CZ3-CE1 4.12Å; W177-K214 PolarHBondContact O-NZ 3.3Å; W177-K214 VanDerWaalsContact O-NZ 3.07Å
178	T	98.3	Very high	97.9	Very high	15 Å²	15	50 Å²	50	9%	0.092	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-106.7	15.2	-178.3	51.9	0	0	0	0	113.4	K116 I118 W120 Y175 F176	K116-T178 HydrophobicContact CB-CG2 3.73Å; K116-T178 HydrophobicContact CD-CG2 4.15Å; K116-T178 HydrophobicContact CG-CG2 4.3Å; I118-T178 HydrophobicContact CG1-CG2 3.87Å; W120-T178 HydrophobicContact CB-CG2 4.18Å; W120-T178 HydrophobicContact CD2-CG2 3.86Å; W120-T178 HydrophobicContact CE3-CG2 4.12Å; W120-T178 HydrophobicContact CG-CG2 3.89Å; W120-T178 VanDerWaalsContact CH2-O 3.24Å; W120-T178 WeakPolarHBondContact CH2-O 3.24Å; Y175-T178 CarbonylContact O-C 3.56Å; Y175-T178 PolarHBondContact O-N 2.98Å; Y175-T178 PolarHBondContact O-OG1 3.19Å; F176-T178 PolarHBondContact O-N 3.09Å; F176-T178 VanDerWaalsContact O-N 3.08Å
179	T	98.1	Very high	97.9	Very high	40 Å²	40	52.8 Å²	52.8	25%	0.245	29%	0.285	C	S	.	.	S	Bend	trans	-87.3	174	167	70	0	0	0	0	111	Y175 F176 C181 K214	Y175-T179 WeakPolarHBondContact O-CG2 3.21Å; Y175-T179 PolarHBondContact O-N 3.07Å; F176-T179 PolarHBondContact O-N 3.32Å; F176-T179 VanDerWaalsContact O-N 3.09Å; F176-T179 PolarHBondContact O-OG1 3.23Å; T179-C181 VanDerWaalsContact C-N 3.27Å; T179-C181 WeakPolarHBondContact OG1-CB 3.45Å; T179-C181 PolarHBondContact OG1-N 3.42Å; T179-K214 PolarHBondContact O-NZ 3.41Å
180	S	97.1	Very high	97.9	Very high	119 Å²	119	54.6 Å²	54.6	83%	0.832	30%	0.295	S	S	*	.	S	Bend	trans	-79.9	-4.5	169.8	56.7	0	0	0	0	113.9
181	C	98	Very high	97.9	Very high	21 Å²	21	53.1 Å²	53.1	14%	0.142	30%	0.3	C	S	.	.			trans	-68.3	151.1	-173.7	-60.7	0	0	0	0	112.6	F176 T179 E185	F176-C181 HydrophobicContact CE2-CB 3.9Å; F176-C181 HydrophobicContact CZ-CB 4.31Å; T179-C181 VanDerWaalsContact C-N 3.27Å; T179-C181 WeakPolarHBondContact OG1-CB 3.45Å; T179-C181 PolarHBondContact OG1-N 3.42Å; C181-E185 VanDerWaalsContact CA-OE2 3.25Å; C181-E185 WeakPolarHBondContact CA-OE2 3.48Å; C181-E185 HydrophobicContact CB-CB 4.15Å; C181-E185 WeakPolarHBondContact CB-OE2 3.47Å
182	T	97.8	Very high	97.8	Very high	26 Å²	26	53.8 Å²	53.8	16%	0.16	31%	0.312	C	S	.	.			trans	-86.6	163	171.8	59.1	0	0	0	0	110.1	D184 E185	T182-D184 VanDerWaalsContact C-N 3.26Å; T182-D184 WeakPolarHBondContact CB-OD1 3.15Å; T182-D184 PolarHBondContact O-N 2.82Å; T182-D184 PolarHBondContact OG1-OD1 3.33Å; T182-E185 PolarHBondContact N-OE2 2.82Å; T182-E185 WeakPolarHBondContact O-CB 3.34Å; T182-E185 PolarHBondContact O-N 2.93Å; T182-E185 PolarHBondContact OG1-OE2 3.06Å
183	Y	98.1	Very high	97.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.016	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-76.1	-11.1	-170	-65.1	-22.8	0	0	0	115.3	F176 W177 E185 I186 F206 N211 K214 L215	F176-Y183 AromaticContact CE1-CD1 3.59Å; F176-Y183 HydrophobicContact CE1-CD1 3.59Å; F176-Y183 AromaticContact CE1-CE1 3.86Å; F176-Y183 HydrophobicContact CE1-CE1 3.86Å; F176-Y183 AromaticContact CZ-CD1 3.96Å; F176-Y183 HydrophobicContact CZ-CD1 3.96Å; W177-Y183 AromaticContact CE3-CE1 3.95Å; W177-Y183 HydrophobicContact CE3-CE1 3.95Å; W177-Y183 HydrophobicContact CZ3-CD1 4.34Å; W177-Y183 AromaticContact CZ3-CE1 3.81Å; W177-Y183 HydrophobicContact CZ3-CE1 3.81Å; Y183-E185 PolarHBondContact O-N 2.77Å; Y183-I186 HydrophobicContact CD1-CD1 4.38Å; Y183-I186 HydrophobicContact CG-CD1 4.34Å; Y183-I186 WeakPolarHBondContact O-CD1 3.5Å; Y183-I186 VanDerWaalsContact O-CG1 3.26Å; Y183-I186 WeakPolarHBondContact O-CG1 3.48Å; Y183-F206 AromaticContact CD2-CD1 3.92Å; Y183-F206 HydrophobicContact CD2-CD1 3.92Å; Y183-F206 AromaticContact CD2-CE1 3.43Å; Y183-F206 HydrophobicContact CD2-CE1 3.43Å; Y183-F206 VanDerWaalsContact CD2-CE1 3.43Å; Y183-F206 AromaticContact CD2-CZ 3.89Å; Y183-F206 HydrophobicContact CD2-CZ 3.89Å; Y183-F206 HydrophobicContact CE1-CE1 4.39Å; Y183-F206 AromaticContact CE2-CD1 3.24Å; Y183-F206 HydrophobicContact CE2-CD1 3.24Å; Y183-F206 AromaticContact CE2-CE1 3.09Å; Y183-F206 HydrophobicContact CE2-CE1 3.09Å; Y183-F206 HydrophobicContact CE2-CG 4.22Å; Y183-F206 HydrophobicContact CE2-CZ 4.02Å; Y183-F206 HydrophobicContact CG-CE1 4.23Å; Y183-F206 AromaticContact CZ-CD1 3.86Å; Y183-F206 AromaticContact CZ-CE1 3.6Å; Y183-N211 HydrophobicContact CE2-CB 4.18Å; Y183-N211 VanDerWaalsContact CE2-O 3.3Å; Y183-N211 WeakPolarHBondContact CE2-O 3.35Å; Y183-N211 PolarHBondContact OH-OD1 2.87Å; Y183-K214 HydrophobicContact CD1-CB 3.92Å; Y183-K214 HydrophobicContact CD1-CD 4.25Å; Y183-K214 HydrophobicContact CD2-CB 4Å; Y183-K214 HydrophobicContact CE1-CB 3.73Å; Y183-K214 HydrophobicContact CE1-CD 3.55Å; Y183-K214 HydrophobicContact CE1-CG 4.3Å; Y183-K214 HydrophobicContact CE2-CB 3.74Å; Y183-K214 HydrophobicContact CG-CB 4.09Å; Y183-K214 PolarHBondContact N-O 3.28Å; Y183-K214 VanDerWaalsContact N-O 3.07Å; Y183-L215 HydrophobicContact CD2-CB 4.32Å; Y183-L215 HydrophobicContact CD2-CD2 3.66Å; Y183-L215 HydrophobicContact CD2-CG 3.59Å; Y183-L215 HydrophobicContact CE2-CD2 4.37Å; Y183-L215 HydrophobicContact CE2-CG 3.94Å
184	D	96.5	Very high	97.9	Very high	52 Å²	52	49.3 Å²	49.3	28%	0.278	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-70.9	-11.1	166	57.1	-63.8	0	0	0	113.2	T182 R235 V236	T182-D184 VanDerWaalsContact C-N 3.26Å; T182-D184 WeakPolarHBondContact CB-OD1 3.15Å; T182-D184 PolarHBondContact O-N 2.82Å; T182-D184 PolarHBondContact OG1-OD1 3.33Å; D184-R235 HydrophobicContact CB-CB 3.8Å; D184-R235 WeakPolarHBondContact CB-O 3.45Å; D184-R235 IonicContact OD1-NE 3.91Å; D184-R235 IonicContact OD1-NH2 3.74Å; D184-R235 IonicContact OD2-CZ 2.97Å; D184-R235 VanDerWaalsContact OD2-CZ 3.3Å; D184-R235 IonicContact OD2-NE 2.74Å; D184-R235 PolarHBondContact OD2-NE 3.25Å; D184-R235 IonicContact OD2-NH2 2.74Å; D184-R235 PolarHBondContact OD2-NH2 3.29Å; D184-V236 HydrophobicContact CB-CG2 4.44Å
185	E	97.8	Very high	97.8	Very high	75 Å²	75	53 Å²	53	35%	0.35	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-98.6	0.6	179.1	-55.4	179.4	90.3	0	0	113.4	C181 T182 Y183 E187 A188 V189	C181-E185 VanDerWaalsContact CA-OE2 3.25Å; C181-E185 WeakPolarHBondContact CA-OE2 3.48Å; C181-E185 HydrophobicContact CB-CB 4.15Å; C181-E185 WeakPolarHBondContact CB-OE2 3.47Å; T182-E185 PolarHBondContact N-OE2 2.82Å; T182-E185 WeakPolarHBondContact O-CB 3.34Å; T182-E185 PolarHBondContact O-N 2.93Å; T182-E185 PolarHBondContact OG1-OE2 3.06Å; Y183-E185 PolarHBondContact O-N 2.77Å; E185-E187 VanDerWaalsContact C-N 3.31Å; E185-E187 PolarHBondContact O-N 3.39Å; E185-A188 PolarHBondContact O-N 2.99Å; E185-V189 HydrophobicContact CB-CG2 4.24Å; E185-V189 WeakPolarHBondContact O-CG2 3.45Å; E185-V189 PolarHBondContact O-N 2.83Å
186	I	98	Very high	97.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-53.9	-47.5	-177.3	-63.4	165.5	0	0	0	110.9	F176 Y183 A188 V189 D190 L193 Y194 L197 I238	F176-I186 HydrophobicContact CD1-CG1 4.04Å; F176-I186 HydrophobicContact CE1-CB 4.39Å; F176-I186 HydrophobicContact CE1-CD1 4.11Å; F176-I186 HydrophobicContact CE1-CG1 3.31Å; F176-I186 HydrophobicContact CE2-CB 4.29Å; F176-I186 HydrophobicContact CE2-CG1 3.91Å; F176-I186 HydrophobicContact CZ-CB 4.09Å; F176-I186 HydrophobicContact CZ-CD1 4.38Å; F176-I186 HydrophobicContact CZ-CG1 3.23Å; Y183-I186 HydrophobicContact CD1-CD1 4.38Å; Y183-I186 HydrophobicContact CG-CD1 4.34Å; Y183-I186 WeakPolarHBondContact O-CD1 3.5Å; Y183-I186 VanDerWaalsContact O-CG1 3.26Å; Y183-I186 WeakPolarHBondContact O-CG1 3.48Å; I186-A188 VanDerWaalsContact C-N 3.33Å; I186-A188 PolarHBondContact O-N 3.42Å; I186-V189 PolarHBondContact O-N 2.95Å; I186-D190 CarbonylContact O-C 3.54Å; I186-D190 WeakPolarHBondContact O-CA 3.39Å; I186-D190 PolarHBondContact O-N 2.7Å; I186-L193 HydrophobicContact CG2-CB 4.36Å; I186-L193 HydrophobicContact CG2-CD2 4.03Å; I186-L193 HydrophobicContact CG2-CG 4.03Å; I186-Y194 HydrophobicContact CB-CD2 4.14Å; I186-Y194 HydrophobicContact CG2-CD2 4.08Å; I186-Y194 HydrophobicContact CG2-CG 4.5Å; I186-L197 HydrophobicContact CD1-CD1 4.4Å; I186-I238 HydrophobicContact CD1-CD1 4.19Å
187	E	97.1	Very high	97.7	Very high	116 Å²	116	47.5 Å²	47.5	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-40.1	-177.4	-172.9	168.4	-157.1	0	0	112.7	E185 A191 Y194	E185-E187 VanDerWaalsContact C-N 3.31Å; E185-E187 PolarHBondContact O-N 3.39Å; E187-A191 PolarHBondContact O-N 3.46Å; E187-Y194 HydrophobicContact CB-CD1 3.8Å; E187-Y194 HydrophobicContact CB-CD2 3.75Å; E187-Y194 HydrophobicContact CB-CE1 4.06Å; E187-Y194 HydrophobicContact CB-CE2 4.03Å; E187-Y194 HydrophobicContact CB-CG 3.62Å; E187-Y194 VanDerWaalsContact CD-CE1 3.41Å; E187-Y194 HydrophobicContact CG-CD1 3.67Å; E187-Y194 HydrophobicContact CG-CE1 3.92Å; E187-Y194 HydrophobicContact CG-CG 3.98Å
188	A	97.5	Very high	97.7	Very high	94 Å²	94	48.6 Å²	48.6	78%	0.777	29%	0.292	S	S	*	.	H	α-helix	trans	-72.4	-35.2	-178.9	0	0	0	0	0	112.4	E185 I186	E185-A188 PolarHBondContact O-N 2.99Å; I186-A188 VanDerWaalsContact C-N 3.33Å; I186-A188 PolarHBondContact O-N 3.42Å
189	V	97.9	Very high	97.5	Very high	73 Å²	73	56 Å²	56	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-94.9	-38.4	-173.3	179	0	0	0	0	112.5	F176 E185 I186	F176-V189 HydrophobicContact CD2-CB 3.9Å; F176-V189 HydrophobicContact CD2-CG1 3.83Å; F176-V189 HydrophobicContact CE2-CB 4.12Å; F176-V189 HydrophobicContact CE2-CG1 4.41Å; E185-V189 HydrophobicContact CB-CG2 4.24Å; E185-V189 WeakPolarHBondContact O-CG2 3.45Å; E185-V189 PolarHBondContact O-N 2.83Å; I186-V189 PolarHBondContact O-N 2.95Å
190	D	98.1	Very high	97.3	Very high	40 Å²	40	56.9 Å²	56.9	21%	0.214	32%	0.321	C	S	.	.			trans	-142.1	76.7	-179.4	-170.8	-13.8	0	0	0	110.6	S174 F176 I186 S192 L193 Y194	S174-D190 PolarHBondContact OG-OD2 2.94Å; F176-D190 HydrophobicContact CB-CB 4.09Å; F176-D190 HydrophobicContact CD2-CB 4.5Å; I186-D190 CarbonylContact O-C 3.54Å; I186-D190 WeakPolarHBondContact O-CA 3.39Å; I186-D190 PolarHBondContact O-N 2.7Å; D190-S192 PolarHBondContact O-N 2.76Å; D190-S192 VanDerWaalsContact O-N 3.16Å; D190-S192 PolarHBondContact OD1-N 3.01Å; D190-L193 HydrophobicContact CB-CB 3.93Å; D190-L193 PolarHBondContact O-N 2.85Å; D190-L193 VanDerWaalsContact O-N 3.14Å; D190-L193 WeakPolarHBondContact OD1-CB 3.48Å; D190-L193 PolarHBondContact OD1-N 2.81Å; D190-L193 VanDerWaalsContact OD2-CB 3.3Å; D190-L193 WeakPolarHBondContact OD2-CB 3.34Å; D190-Y194 PolarHBondContact O-N 3.39Å
191	A	97.6	Very high	97.3	Very high	50 Å²	50	51.5 Å²	51.5	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-57.3	-29.6	179.6	0	0	0	0	0	113.2	E187 Q195	E187-A191 PolarHBondContact O-N 3.46Å; A191-Q195 WeakPolarHBondContact O-CB 3.43Å; A191-Q195 VanDerWaalsContact O-CG 3.23Å; A191-Q195 WeakPolarHBondContact O-CG 3.38Å; A191-Q195 PolarHBondContact O-N 2.93Å
192	S	97.8	Very high	97.3	Very high	73 Å²	73	51.5 Å²	51.5	51%	0.51	28%	0.282	S	S	.	.	H	α-helix	trans	-69.9	-46.9	177.1	-174.7	0	0	0	0	110.9	D190 Y194 Q195 N196	D190-S192 PolarHBondContact O-N 2.76Å; D190-S192 VanDerWaalsContact O-N 3.16Å; D190-S192 PolarHBondContact OD1-N 3.01Å; S192-Y194 VanDerWaalsContact C-N 3.32Å; S192-Y194 PolarHBondContact O-N 3.36Å; S192-Q195 PolarHBondContact O-N 2.97Å; S192-N196 WeakPolarHBondContact O-CB 3.41Å; S192-N196 PolarHBondContact O-N 2.85Å; S192-N196 PolarHBondContact O-ND2 3.35Å; S192-N196 VanDerWaalsContact O-ND2 3.08Å
193	L	98.2	Very high	97.3	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-45.9	173	175.9	61.8	0	0	0	111.2	F176 W177 I186 D190 Q195 N196 L197	F176-L193 HydrophobicContact CB-CD2 3.86Å; F176-L193 HydrophobicContact CD1-CD2 3.83Å; F176-L193 HydrophobicContact CG-CD2 4Å; W177-L193 HydrophobicContact CD2-CD2 4.43Å; W177-L193 HydrophobicContact CH2-CD2 3.98Å; W177-L193 HydrophobicContact CZ2-CD1 3.76Å; W177-L193 HydrophobicContact CZ2-CD2 3.64Å; W177-L193 HydrophobicContact CZ2-CG 4.19Å; W177-L193 HydrophobicContact CZ3-CD2 4.5Å; I186-L193 HydrophobicContact CG2-CB 4.36Å; I186-L193 HydrophobicContact CG2-CD2 4.03Å; I186-L193 HydrophobicContact CG2-CG 4.03Å; D190-L193 HydrophobicContact CB-CB 3.93Å; D190-L193 PolarHBondContact O-N 2.85Å; D190-L193 VanDerWaalsContact O-N 3.14Å; D190-L193 WeakPolarHBondContact OD1-CB 3.48Å; D190-L193 PolarHBondContact OD1-N 2.81Å; D190-L193 VanDerWaalsContact OD2-CB 3.3Å; D190-L193 WeakPolarHBondContact OD2-CB 3.34Å; L193-Q195 PolarHBondContact O-N 3.15Å; L193-N196 PolarHBondContact O-N 2.88Å; L193-L197 HydrophobicContact CD1-CD1 3.94Å; L193-L197 HydrophobicContact CD1-CG 4.01Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 HydrophobicContact CG-CG 4.43Å; L193-L197 WeakPolarHBondContact O-CG 3.42Å; L193-L197 PolarHBondContact O-N 3.08Å
194	Y	98.1	Very high	97.3	Very high	37 Å²	37	50.1 Å²	50.1	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-57.7	-47.5	177.9	-171.4	-104.1	0	0	0	112.2	I186 E187 D190 S192 N196 L197 S198 Q237 I238 G239	I186-Y194 HydrophobicContact CB-CD2 4.14Å; I186-Y194 HydrophobicContact CG2-CD2 4.08Å; I186-Y194 HydrophobicContact CG2-CG 4.5Å; E187-Y194 HydrophobicContact CB-CD1 3.8Å; E187-Y194 HydrophobicContact CB-CD2 3.75Å; E187-Y194 HydrophobicContact CB-CE1 4.06Å; E187-Y194 HydrophobicContact CB-CE2 4.03Å; E187-Y194 HydrophobicContact CB-CG 3.62Å; E187-Y194 VanDerWaalsContact CD-CE1 3.41Å; E187-Y194 HydrophobicContact CG-CD1 3.67Å; E187-Y194 HydrophobicContact CG-CE1 3.92Å; E187-Y194 HydrophobicContact CG-CG 3.98Å; D190-Y194 PolarHBondContact O-N 3.39Å; S192-Y194 VanDerWaalsContact C-N 3.32Å; S192-Y194 PolarHBondContact O-N 3.36Å; Y194-N196 PolarHBondContact O-N 3.47Å; Y194-L197 PolarHBondContact O-N 3.05Å; Y194-S198 WeakPolarHBondContact O-CB 3.46Å; Y194-S198 PolarHBondContact O-N 3.34Å; Y194-S198 PolarHBondContact O-OG 2.83Å; Y194-Q237 PolarHBondContact OH-O 3Å; Y194-I238 HydrophobicContact CD2-CG2 4.44Å; Y194-I238 HydrophobicContact CE2-CB 4.39Å; Y194-I238 HydrophobicContact CE2-CG1 4.49Å; Y194-I238 HydrophobicContact CE2-CG2 4.2Å; Y194-G239 PolarHBondContact OH-N 3.34Å
195	Q	97.3	Very high	97.4	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-42.1	178.5	-74.3	175.1	18.5	0	0	112.1	A191 S192 L193 S198 R199	A191-Q195 WeakPolarHBondContact O-CB 3.43Å; A191-Q195 VanDerWaalsContact O-CG 3.23Å; A191-Q195 WeakPolarHBondContact O-CG 3.38Å; A191-Q195 PolarHBondContact O-N 2.93Å; S192-Q195 PolarHBondContact O-N 2.97Å; L193-Q195 PolarHBondContact O-N 3.15Å; Q195-S198 PolarHBondContact O-N 3.46Å; Q195-R199 WeakPolarHBondContact O-CB 3.3Å; Q195-R199 WeakPolarHBondContact O-CG 3.41Å; Q195-R199 PolarHBondContact O-N 3.19Å
196	N	96.9	Very high	97.4	Very high	56 Å²	56	44.1 Å²	44.1	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-49.2	176.3	-69.3	-32.5	0	0	0	110.9	S192 L193 Y194 S198 D200	S192-N196 WeakPolarHBondContact O-CB 3.41Å; S192-N196 PolarHBondContact O-N 2.85Å; S192-N196 PolarHBondContact O-ND2 3.35Å; S192-N196 VanDerWaalsContact O-ND2 3.08Å; L193-N196 PolarHBondContact O-N 2.88Å; Y194-N196 PolarHBondContact O-N 3.47Å; N196-S198 VanDerWaalsContact C-N 3.32Å; N196-S198 PolarHBondContact O-N 2.82Å; N196-D200 WeakPolarHBondContact O-CA 3.33Å; N196-D200 WeakPolarHBondContact O-CB 3.43Å; N196-D200 PolarHBondContact O-N 3.11Å
197	L	98	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-38.5	177.7	-68	174.3	0	0	0	111.9	A82 I84 W177 I186 L193 Y194 C201 I204 I238	A82-L197 HydrophobicContact CB-CD2 4.15Å; I84-L197 HydrophobicContact CD1-CD2 4.47Å; W177-L197 HydrophobicContact CH2-CD1 3.94Å; W177-L197 HydrophobicContact CZ2-CD1 4.32Å; I186-L197 HydrophobicContact CD1-CD1 4.4Å; L193-L197 HydrophobicContact CD1-CD1 3.94Å; L193-L197 HydrophobicContact CD1-CG 4.01Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 HydrophobicContact CG-CG 4.43Å; L193-L197 WeakPolarHBondContact O-CG 3.42Å; L193-L197 PolarHBondContact O-N 3.08Å; Y194-L197 PolarHBondContact O-N 3.05Å; L197-C201 VanDerWaalsContact O-CB 3.31Å; L197-C201 WeakPolarHBondContact O-CB 3.33Å; L197-I204 HydrophobicContact CB-CD1 3.95Å; L197-I204 HydrophobicContact CD2-CD1 4.2Å; L197-I238 HydrophobicContact CB-CG2 3.84Å
198	S	97	Very high	97.4	Very high	24 Å²	24	38.7 Å²	38.7	17%	0.168	22%	0.219	C	C	.	.	H	α-helix	trans	-71.1	-38.7	-177.7	-61.5	0	0	0	0	113.7	Y194 Q195 N196 G239	Y194-S198 WeakPolarHBondContact O-CB 3.46Å; Y194-S198 PolarHBondContact O-N 3.34Å; Y194-S198 PolarHBondContact O-OG 2.83Å; Q195-S198 PolarHBondContact O-N 3.46Å; N196-S198 VanDerWaalsContact C-N 3.32Å; N196-S198 PolarHBondContact O-N 2.82Å; S198-G239 VanDerWaalsContact CB-CA 3.48Å; S198-G239 WeakPolarHBondContact OG-CA 3.4Å; S198-G239 PolarHBondContact OG-N 2.78Å; S198-G239 VanDerWaalsContact OG-N 3.15Å
199	R	94.5	Very high	97.4	Very high	171 Å²	171	34.8 Å²	34.8	65%	0.645	19%	0.185	S	C	*	.	H	α-helix	trans	-99.9	-35.7	-171.8	-65.3	-179.1	179.1	172.6	1.8	113.2	R80 Q195	R80-R199 PolarHBondContact NH1-O 2.86Å; R80-R199 PolarHBondContact NH2-O 3.19Å; R80-R199 VanDerWaalsContact NH2-O 3.15Å; Q195-R199 WeakPolarHBondContact O-CB 3.3Å; Q195-R199 WeakPolarHBondContact O-CG 3.41Å; Q195-R199 PolarHBondContact O-N 3.19Å
200	D	95.2	Very high	97.3	Very high	58 Å²	58	32.1 Å²	32.1	31%	0.31	17%	0.168	S	C	.	.	H	α-helix	trans	-97	-6.3	-171.3	-61.4	-22.2	0	0	0	112.7	R80 Y110 N196	R80-D200 WeakPolarHBondContact CB-O 3.18Å; R80-D200 WeakPolarHBondContact CD-O 3.33Å; Y110-D200 WeakPolarHBondContact OH-CB 3.47Å; Y110-D200 PolarHBondContact OH-O 2.83Å; N196-D200 WeakPolarHBondContact O-CA 3.33Å; N196-D200 WeakPolarHBondContact O-CB 3.43Å; N196-D200 PolarHBondContact O-N 3.11Å
201	C	97	Very high	97.3	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.041	16%	0.159	C	C	.	.			trans	-117.8	144.8	179.8	-51.7	0	0	0	0	111.3	L197 I204 P266	L197-C201 VanDerWaalsContact O-CB 3.31Å; L197-C201 WeakPolarHBondContact O-CB 3.33Å; C201-I204 HydrophobicContact CB-CD1 4.42Å; C201-I204 HydrophobicContact CB-CG1 3.9Å; C201-P266 HydrophobicContact CB-CB 4.45Å
202	D	96.3	Very high	97.4	Very high	22 Å²	22	28 Å²	28	12%	0.118	14%	0.139	C	C	.	.	S	Bend	trans	-107.3	-25.9	167.8	-53.7	-61.7	0	0	0	110.7	F62 F66 H77 L79 R80 P266 M267	F62-D202 WeakPolarHBondContact CZ-O 3.44Å; F66-D202 HydrophobicContact CE1-CB 4.16Å; F66-D202 HydrophobicContact CZ-CB 3.87Å; H77-D202 IonicContact CE1-OD1 3.3Å; H77-D202 IonicContact CE1-OD2 2.84Å; H77-D202 VanDerWaalsContact NE2-CG 3.35Å; H77-D202 IonicContact NE2-OD1 3.82Å; H77-D202 PolarHBondContact NE2-OD1 3.01Å; H77-D202 VanDerWaalsContact NE2-OD1 3.1Å; H77-D202 IonicContact NE2-OD2 3.35Å; H77-D202 PolarHBondContact NE2-OD2 3.1Å; L79-D202 HydrophobicContact CD1-CB 3.66Å; R80-D202 WeakPolarHBondContact CB-OD2 3.26Å; R80-D202 IonicContact CZ-OD1 3.77Å; R80-D202 IonicContact CZ-OD2 3.64Å; R80-D202 PolarHBondContact N-OD2 2.79Å; R80-D202 IonicContact NE-OD1 2.64Å; R80-D202 IonicContact NE-OD2 3.81Å; R80-D202 PolarHBondContact NE-OD2 3.15Å; R80-D202 IonicContact NH2-OD1 2.74Å; R80-D202 PolarHBondContact NH2-OD1 2.86Å; R80-D202 IonicContact NH2-OD2 3.1Å; R80-D202 PolarHBondContact O-N 2.98Å; D202-P266 WeakPolarHBondContact O-CA 3.3Å; D202-M267 PolarHBondContact O-N 2.97Å
203	L	97.6	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.1	176.5	177	60.5	0	0	0	110.2	L59 F62 L79 R80 V81 A82 F102 I205 M267 V269	L59-L203 HydrophobicContact CD1-CD1 3.86Å; L59-L203 HydrophobicContact CD1-CD2 4.12Å; F62-L203 HydrophobicContact CE1-CB 4.12Å; F62-L203 HydrophobicContact CE1-CD1 4.44Å; L79-L203 HydrophobicContact CD1-CB 4.1Å; L79-L203 HydrophobicContact CD2-CB 4.43Å; L79-L203 HydrophobicContact CD2-CD2 4.1Å; L79-L203 HydrophobicContact CG-CB 4.46Å; R80-L203 PolarHBondContact O-N 3.4Å; V81-L203 CarbonylContact C-O 3.6Å; V81-L203 WeakPolarHBondContact CA-O 3.49Å; V81-L203 HydrophobicContact CG1-CD2 4.3Å; V81-L203 HydrophobicContact CG1-CG 4.38Å; V81-L203 HydrophobicContact CG2-CB 4.42Å; V81-L203 HydrophobicContact CG2-CD2 4.38Å; A82-L203 PolarHBondContact N-O 3.29Å; F102-L203 HydrophobicContact CZ-CD2 4.06Å; L203-I205 HydrophobicContact CD1-CG1 4.23Å; L203-I205 HydrophobicContact CD2-CD1 4.01Å; L203-I205 HydrophobicContact CD2-CG1 4.12Å; L203-I205 HydrophobicContact CG-CD1 4.36Å; L203-I205 HydrophobicContact CG-CG1 3.93Å; L203-M267 CarbonylContact C-O 3.56Å; L203-M267 WeakPolarHBondContact CA-O 3.49Å; L203-M267 HydrophobicContact CD1-CB 4.09Å; L203-M267 HydrophobicContact CD1-CG 4.1Å; L203-M267 HydrophobicContact CD1-SD 4.37Å; L203-V269 HydrophobicContact CD1-CG2 3.65Å
204	I	98.4	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.6	174.1	-53.1	169.9	0	0	0	107.9	A82 I84 L197 C201 F206 I238 P266 M267 V268 V269	A82-I204 HydrophobicContact CB-CG1 4.29Å; A82-I204 HydrophobicContact CB-CG2 4.26Å; A82-I204 CarbonylContact O-C 3.58Å; A82-I204 WeakPolarHBondContact O-CA 3.33Å; I84-I204 HydrophobicContact CD1-CG2 4.31Å; I84-I204 HydrophobicContact CG1-CG2 3.99Å; L197-I204 HydrophobicContact CB-CD1 3.95Å; L197-I204 HydrophobicContact CD2-CD1 4.2Å; C201-I204 HydrophobicContact CB-CD1 4.42Å; C201-I204 HydrophobicContact CB-CG1 3.9Å; I204-F206 HydrophobicContact CB-CE2 4.32Å; I204-F206 HydrophobicContact CG2-CD2 3.97Å; I204-F206 HydrophobicContact CG2-CE2 3.41Å; I204-F206 VanDerWaalsContact CG2-CE2 3.41Å; I204-F206 HydrophobicContact CG2-CZ 3.92Å; I204-I238 HydrophobicContact CD1-CB 4.45Å; I204-I238 HydrophobicContact CD1-CD1 3.93Å; I204-I238 HydrophobicContact CD1-CG2 4.04Å; I204-P266 HydrophobicContact CD1-CB 3.81Å; I204-P266 HydrophobicContact CD1-CG 3.63Å; I204-P266 HydrophobicContact CG1-CB 3.96Å; I204-P266 HydrophobicContact CG1-CG 4.34Å; I204-M267 PolarHBondContact N-O 3.29Å; I204-V268 HydrophobicContact CD1-CG2 4.47Å; I204-V268 WeakPolarHBondContact O-CA 3.31Å; I204-V269 PolarHBondContact O-N 3.42Å
205	I	98.4	Very high	97.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.7	179.4	-55.3	179.3	0	0	0	108.3	V81 A82 I83 I84 L98 F102 L203 K207 V269 L271	V81-I205 HydrophobicContact CG1-CD1 4.28Å; A82-I205 PolarHBondContact O-N 3.25Å; I83-I205 CarbonylContact C-O 3.04Å; I83-I205 WeakPolarHBondContact CA-O 3.21Å; I83-I205 HydrophobicContact CG1-CB 4.48Å; I84-I205 PolarHBondContact N-O 3.35Å; L98-I205 HydrophobicContact CD2-CD1 4.18Å; F102-I205 HydrophobicContact CE2-CD1 4.19Å; F102-I205 HydrophobicContact CZ-CD1 4.4Å; L203-I205 HydrophobicContact CD1-CG1 4.23Å; L203-I205 HydrophobicContact CD2-CD1 4.01Å; L203-I205 HydrophobicContact CD2-CG1 4.12Å; L203-I205 HydrophobicContact CG-CD1 4.36Å; L203-I205 HydrophobicContact CG-CG1 3.93Å; I205-K207 HydrophobicContact CG2-CD 4.11Å; I205-V269 CarbonylContact C-O 3.54Å; I205-V269 WeakPolarHBondContact CA-O 3.38Å; I205-L271 HydrophobicContact CG2-CD1 3.57Å; I205-L271 HydrophobicContact CG2-CG 3.75Å
206	F	98.5	Very high	97.5	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.2	171.9	-72	-89.7	0	0	0	109.3	I84 W177 Y183 I204 N211 L215 I238 V268 V269 A270 L271	I84-F206 HydrophobicContact CB-CD1 3.65Å; I84-F206 HydrophobicContact CB-CE1 3.97Å; I84-F206 HydrophobicContact CB-CG 4.3Å; I84-F206 HydrophobicContact CG1-CD1 3.65Å; I84-F206 HydrophobicContact CG1-CE1 3.53Å; I84-F206 HydrophobicContact CG1-CE2 4.45Å; I84-F206 HydrophobicContact CG1-CG 4.21Å; I84-F206 HydrophobicContact CG1-CZ 3.97Å; I84-F206 HydrophobicContact CG2-CD1 3.91Å; I84-F206 HydrophobicContact CG2-CE1 4.04Å; W177-F206 HydrophobicContact CH2-CE1 4.4Å; W177-F206 HydrophobicContact CZ3-CE1 4.12Å; Y183-F206 AromaticContact CD2-CD1 3.92Å; Y183-F206 HydrophobicContact CD2-CD1 3.92Å; Y183-F206 AromaticContact CD2-CE1 3.43Å; Y183-F206 HydrophobicContact CD2-CE1 3.43Å; Y183-F206 VanDerWaalsContact CD2-CE1 3.43Å; Y183-F206 AromaticContact CD2-CZ 3.89Å; Y183-F206 HydrophobicContact CD2-CZ 3.89Å; Y183-F206 HydrophobicContact CE1-CE1 4.39Å; Y183-F206 AromaticContact CE2-CD1 3.24Å; Y183-F206 HydrophobicContact CE2-CD1 3.24Å; Y183-F206 AromaticContact CE2-CE1 3.09Å; Y183-F206 HydrophobicContact CE2-CE1 3.09Å; Y183-F206 HydrophobicContact CE2-CG 4.22Å; Y183-F206 HydrophobicContact CE2-CZ 4.02Å; Y183-F206 HydrophobicContact CG-CE1 4.23Å; Y183-F206 AromaticContact CZ-CD1 3.86Å; Y183-F206 AromaticContact CZ-CE1 3.6Å; I204-F206 HydrophobicContact CB-CE2 4.32Å; I204-F206 HydrophobicContact CG2-CD2 3.97Å; I204-F206 HydrophobicContact CG2-CE2 3.41Å; I204-F206 VanDerWaalsContact CG2-CE2 3.41Å; I204-F206 HydrophobicContact CG2-CZ 3.92Å; F206-N211 HydrophobicContact CB-CB 4.02Å; F206-N211 HydrophobicContact CD1-CB 4.07Å; F206-L215 HydrophobicContact CB-CD1 3.76Å; F206-L215 HydrophobicContact CD2-CD1 4.05Å; F206-L215 HydrophobicContact CD2-CD2 3.99Å; F206-L215 HydrophobicContact CD2-CG 4.4Å; F206-L215 HydrophobicContact CE2-CD2 4Å; F206-L215 HydrophobicContact CG-CD1 3.89Å; F206-L215 HydrophobicContact CG-CD2 4.34Å; F206-L215 HydrophobicContact CG-CG 4.29Å; F206-L215 HydrophobicContact CZ-CD2 4.35Å; F206-I238 HydrophobicContact CE2-CD1 4.44Å; F206-I238 HydrophobicContact CZ-CD1 4.28Å; F206-V268 HydrophobicContact CD2-CG1 3.76Å; F206-V268 HydrophobicContact CE2-CG1 3.6Å; F206-V269 PolarHBondContact N-O 2.84Å; F206-A270 WeakPolarHBondContact O-CA 3.39Å; F206-L271 PolarHBondContact O-N 3.06Å
207	K	98.2	Very high	97.5	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	142.1	175.8	-61.8	-60.1	-50.4	-54.2	0	110.1	S16 I83 I84 D86 E91 D95 I205 N211 L271	S16-K207 VanDerWaalsContact O-CE 3.27Å; S16-K207 WeakPolarHBondContact O-CE 3.2Å; S16-K207 PolarHBondContact O-NZ 3.36Å; S16-K207 VanDerWaalsContact OG-CE 3.31Å; S16-K207 WeakPolarHBondContact OG-CE 3.36Å; S16-K207 PolarHBondContact OG-NZ 3.21Å; I83-K207 HydrophobicContact CG2-CD 4.41Å; I83-K207 HydrophobicContact CG2-CG 3.86Å; I84-K207 WeakPolarHBondContact O-CB 3.32Å; I84-K207 PolarHBondContact O-N 2.84Å; D86-K207 HydrophobicContact CB-CB 3.89Å; E91-K207 IonicContact OE1-NZ 3.01Å; E91-K207 PolarHBondContact OE1-NZ 3.43Å; D95-K207 VanDerWaalsContact CG-NZ 3.26Å; D95-K207 WeakPolarHBondContact OD1-CE 3.34Å; D95-K207 IonicContact OD1-NZ 3.9Å; D95-K207 PolarHBondContact OD1-NZ 2.89Å; D95-K207 IonicContact OD2-NZ 3.48Å; D95-K207 PolarHBondContact OD2-NZ 3.34Å; I205-K207 HydrophobicContact CG2-CD 4.11Å; K207-N211 WeakPolarHBondContact O-CB 3.36Å; K207-N211 VanDerWaalsContact O-CG 3.23Å; K207-N211 PolarHBondContact O-ND2 3.01Å; K207-L271 CarbonylContact C-O 3.48Å; K207-L271 HydrophobicContact CD-CB 4.14Å; K207-L271 HydrophobicContact CD-CD1 4.03Å
208	G	96.4	Very high	97.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	11%	0.11	C	C	.	.	S	Bend	trans	97.1	167.4	162.1	0	0	0	0	0	117.9	N20 D86 Y212 L271	N20-G208 WeakPolarHBondContact ND2-CA 3.46Å; D86-G208 WeakPolarHBondContact OD2-CA 3.26Å; G208-Y212 PolarHBondContact O-N 3.48Å; G208-L271 PolarHBondContact N-O 2.97Å
209	D	97.2	Very high	97.5	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.064	12%	0.122	C	C	.	.	H	α-helix	trans	-73.9	-44.1	-179.1	-167.7	78.2	0	0	0	111.8	N211 Y212 R213 R272 K275 S276	D209-N211 PolarHBondContact O-N 2.94Å; D209-Y212 WeakPolarHBondContact O-CB 3.26Å; D209-Y212 PolarHBondContact O-N 3.07Å; D209-Y212 VanDerWaalsContact O-N 3.14Å; D209-R213 WeakPolarHBondContact O-CG 3.14Å; D209-R213 PolarHBondContact O-N 3.42Å; D209-R213 VanDerWaalsContact OD2-CD 3.26Å; D209-R213 WeakPolarHBondContact OD2-CD 3.21Å; D209-R272 IonicContact OD1-CZ 3.92Å; D209-R272 IonicContact OD1-NE 3.65Å; D209-R272 PolarHBondContact OD1-NE 3.2Å; D209-R272 IonicContact OD1-NH2 2.8Å; D209-R272 PolarHBondContact OD1-NH2 3.03Å; D209-K275 HydrophobicContact CB-CB 3.93Å; D209-K275 HydrophobicContact CB-CD 4.14Å; D209-K275 HydrophobicContact CB-CG 4.34Å; D209-K275 PolarHBondContact OD1-N 3.48Å; D209-S276 PolarHBondContact OD1-N 3.36Å; D209-S276 PolarHBondContact OD1-OG 2.95Å; D209-S276 WeakPolarHBondContact OD2-CB 3.46Å; D209-S276 PolarHBondContact OD2-OG 2.77Å
210	L	97.5	Very high	97.6	Very high	17 Å²	17	28.5 Å²	28.5	9%	0.089	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-43.6	178.8	179.7	61.9	0	0	0	112.1	F121 Y212 R213 K214	F121-L210 HydrophobicContact CD1-CD2 4.26Å; F121-L210 HydrophobicContact CD2-CD2 3.68Å; F121-L210 HydrophobicContact CE1-CD1 4.33Å; F121-L210 HydrophobicContact CE1-CD2 4.39Å; F121-L210 HydrophobicContact CE2-CD1 4.33Å; F121-L210 HydrophobicContact CE2-CD2 3.82Å; F121-L210 HydrophobicContact CG-CD2 3.9Å; F121-L210 HydrophobicContact CZ-CD1 4.01Å; F121-L210 HydrophobicContact CZ-CD2 4.18Å; L210-Y212 VanDerWaalsContact C-N 3.3Å; L210-Y212 PolarHBondContact O-N 3.39Å; L210-R213 PolarHBondContact O-N 2.87Å; L210-K214 PolarHBondContact O-N 2.93Å
211	N	98.4	Very high	97.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-36.5	177	-67.5	-20.7	0	0	0	110.9	I84 L85 Y183 F206 K207 D209 K214 L215	I84-N211 PolarHBondContact O-ND2 3.28Å; L85-N211 PolarHBondContact O-ND2 2.73Å; Y183-N211 HydrophobicContact CE2-CB 4.18Å; Y183-N211 VanDerWaalsContact CE2-O 3.3Å; Y183-N211 WeakPolarHBondContact CE2-O 3.35Å; Y183-N211 PolarHBondContact OH-OD1 2.87Å; F206-N211 HydrophobicContact CB-CB 4.02Å; F206-N211 HydrophobicContact CD1-CB 4.07Å; K207-N211 WeakPolarHBondContact O-CB 3.36Å; K207-N211 VanDerWaalsContact O-CG 3.23Å; K207-N211 PolarHBondContact O-ND2 3.01Å; D209-N211 PolarHBondContact O-N 2.94Å; N211-K214 PolarHBondContact O-N 3.17Å; N211-L215 WeakPolarHBondContact O-CG 3.25Å; N211-L215 PolarHBondContact O-N 3.5Å
212	Y	98.3	Very high	97.7	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-47.6	173.3	-170.5	-85.5	0	0	0	112.2	G208 D209 L210 K214 L215 V216 A270 R272 V278 V280 Q307	G208-Y212 PolarHBondContact O-N 3.48Å; D209-Y212 WeakPolarHBondContact O-CB 3.26Å; D209-Y212 PolarHBondContact O-N 3.07Å; D209-Y212 VanDerWaalsContact O-N 3.14Å; L210-Y212 VanDerWaalsContact C-N 3.3Å; L210-Y212 PolarHBondContact O-N 3.39Å; Y212-K214 VanDerWaalsContact C-N 3.29Å; Y212-K214 PolarHBondContact O-N 2.97Å; Y212-L215 WeakPolarHBondContact O-CB 3.41Å; Y212-L215 PolarHBondContact O-N 3.46Å; Y212-V216 HydrophobicContact CD1-CG1 4.45Å; Y212-V216 HydrophobicContact CD1-CG2 4.19Å; Y212-V216 HydrophobicContact CE1-CG1 3.97Å; Y212-V216 HydrophobicContact CE1-CG2 4.09Å; Y212-V216 WeakPolarHBondContact O-CG2 3.23Å; Y212-V216 PolarHBondContact O-N 2.7Å; Y212-V216 VanDerWaalsContact O-N 3.08Å; Y212-A270 HydrophobicContact CD2-CB 3.73Å; Y212-A270 HydrophobicContact CE2-CB 4.23Å; Y212-R272 HydrophobicContact CD2-CB 3.84Å; Y212-R272 HydrophobicContact CD2-CG 4.04Å; Y212-R272 HydrophobicContact CG-CB 4.14Å; Y212-R272 VanDerWaalsContact CG-CD 3.43Å; Y212-R272 HydrophobicContact CG-CG 3.83Å; Y212-V278 HydrophobicContact CD1-CG1 4.31Å; Y212-V280 PolarHBondContact OH-N 3.15Å; Y212-Q307 VanDerWaalsContact CE2-OE1 3.26Å; Y212-Q307 PolarHBondContact OH-OE1 3.32Å
213	R	98.4	Very high	97.7	Very high	66 Å²	66	32.8 Å²	32.8	25%	0.249	15%	0.149	C	C	.	.	H	α-helix	trans	-54.6	-46	175.7	-70	169.8	62.3	-159.7	-3.3	111.3	D209 L210 L215 V216 G217 D218 S276 V278	D209-R213 WeakPolarHBondContact O-CG 3.14Å; D209-R213 PolarHBondContact O-N 3.42Å; D209-R213 VanDerWaalsContact OD2-CD 3.26Å; D209-R213 WeakPolarHBondContact OD2-CD 3.21Å; L210-R213 PolarHBondContact O-N 2.87Å; R213-L215 PolarHBondContact O-N 3.35Å; R213-V216 CarbonylContact O-C 3.48Å; R213-V216 PolarHBondContact O-N 2.99Å; R213-G217 CarbonylContact O-C 3.56Å; R213-G217 WeakPolarHBondContact O-CA 3.44Å; R213-G217 PolarHBondContact O-N 3.33Å; R213-D218 HydrophobicContact CB-CB 4.31Å; R213-D218 WeakPolarHBondContact CB-OD1 3.32Å; R213-D218 VanDerWaalsContact CG-OD1 3.3Å; R213-D218 WeakPolarHBondContact CG-OD1 3.34Å; R213-D218 IonicContact CZ-OD1 2.74Å; R213-D218 IonicContact CZ-OD2 3.03Å; R213-D218 IonicContact NE-OD1 3.77Å; R213-D218 PolarHBondContact NE-OD1 3Å; R213-D218 IonicContact NE-OD2 3.45Å; R213-D218 PolarHBondContact NE-OD2 3.18Å; R213-D218 IonicContact NH2-OD1 2.9Å; R213-D218 IonicContact NH2-OD2 2.67Å; R213-D218 PolarHBondContact NH2-OD2 3.39Å; R213-D218 PolarHBondContact O-N 3.01Å; R213-S276 WeakPolarHBondContact CD-OG 3.4Å; R213-S276 WeakPolarHBondContact CG-OG 3.38Å; R213-V278 HydrophobicContact CG-CG1 3.72Å
214	K	98.4	Very high	97.7	Very high	16 Å²	16	35 Å²	35	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-31.4	175.8	-73.5	-170.5	171.1	-166	0	114.1	W177 T179 Y183 L210 N211 Y212	W177-K214 PolarHBondContact O-NZ 3.3Å; W177-K214 VanDerWaalsContact O-NZ 3.07Å; T179-K214 PolarHBondContact O-NZ 3.41Å; Y183-K214 HydrophobicContact CD1-CB 3.92Å; Y183-K214 HydrophobicContact CD1-CD 4.25Å; Y183-K214 HydrophobicContact CD2-CB 4Å; Y183-K214 HydrophobicContact CE1-CB 3.73Å; Y183-K214 HydrophobicContact CE1-CD 3.55Å; Y183-K214 HydrophobicContact CE1-CG 4.3Å; Y183-K214 HydrophobicContact CE2-CB 3.74Å; Y183-K214 HydrophobicContact CG-CB 4.09Å; Y183-K214 PolarHBondContact N-O 3.28Å; Y183-K214 VanDerWaalsContact N-O 3.07Å; L210-K214 PolarHBondContact O-N 2.93Å; N211-K214 PolarHBondContact O-N 3.17Å; Y212-K214 VanDerWaalsContact C-N 3.29Å; Y212-K214 PolarHBondContact O-N 2.97Å
215	L	98.3	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-41.4	173.9	-80.6	165.3	0	0	0	111.9	Y183 F206 N211 Y212 R213 V236 V268 A270 V309	Y183-L215 HydrophobicContact CD2-CB 4.32Å; Y183-L215 HydrophobicContact CD2-CD2 3.66Å; Y183-L215 HydrophobicContact CD2-CG 3.59Å; Y183-L215 HydrophobicContact CE2-CD2 4.37Å; Y183-L215 HydrophobicContact CE2-CG 3.94Å; F206-L215 HydrophobicContact CB-CD1 3.76Å; F206-L215 HydrophobicContact CD2-CD1 4.05Å; F206-L215 HydrophobicContact CD2-CD2 3.99Å; F206-L215 HydrophobicContact CD2-CG 4.4Å; F206-L215 HydrophobicContact CE2-CD2 4Å; F206-L215 HydrophobicContact CG-CD1 3.89Å; F206-L215 HydrophobicContact CG-CD2 4.34Å; F206-L215 HydrophobicContact CG-CG 4.29Å; F206-L215 HydrophobicContact CZ-CD2 4.35Å; N211-L215 WeakPolarHBondContact O-CG 3.25Å; N211-L215 PolarHBondContact O-N 3.5Å; Y212-L215 WeakPolarHBondContact O-CB 3.41Å; Y212-L215 PolarHBondContact O-N 3.46Å; R213-L215 PolarHBondContact O-N 3.35Å; L215-V236 HydrophobicContact CD2-CB 4.45Å; L215-V236 HydrophobicContact CD2-CG1 3.96Å; L215-V236 HydrophobicContact CD2-CG2 4.36Å; L215-V236 WeakPolarHBondContact O-CG2 3.5Å; L215-V268 HydrophobicContact CD2-CG1 4.02Å; L215-A270 HydrophobicContact CD1-CB 3.72Å; L215-V309 HydrophobicContact CD1-CG2 4.19Å; L215-V309 HydrophobicContact CD2-CG1 4.44Å
216	V	98	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-98.3	3.7	-177.3	-55.8	0	0	0	0	113.1	Y212 R213 D218 W221 A232 F233 V278 V280	Y212-V216 HydrophobicContact CD1-CG1 4.45Å; Y212-V216 HydrophobicContact CD1-CG2 4.19Å; Y212-V216 HydrophobicContact CE1-CG1 3.97Å; Y212-V216 HydrophobicContact CE1-CG2 4.09Å; Y212-V216 WeakPolarHBondContact O-CG2 3.23Å; Y212-V216 PolarHBondContact O-N 2.7Å; Y212-V216 VanDerWaalsContact O-N 3.08Å; R213-V216 CarbonylContact O-C 3.48Å; R213-V216 PolarHBondContact O-N 2.99Å; V216-D218 VanDerWaalsContact C-N 3.29Å; V216-D218 PolarHBondContact O-N 2.87Å; V216-W221 PolarHBondContact O-NE1 3.49Å; V216-A232 HydrophobicContact CB-CB 4.3Å; V216-A232 HydrophobicContact CG1-CB 4.38Å; V216-F233 HydrophobicContact CG1-CE1 4.14Å; V216-V278 HydrophobicContact CG2-CG1 4.33Å; V216-V278 HydrophobicContact CG2-CG2 3.49Å; V216-V278 VanDerWaalsContact CG2-CG2 3.49Å; V216-V280 HydrophobicContact CG1-CG2 4.21Å
217	G	97.6	Very high	97.4	Very high	11 Å²	11	45.7 Å²	45.7	11%	0.113	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	19.7	178.5	0	0	0	0	0	115.5	R213 R219	R213-G217 CarbonylContact O-C 3.56Å; R213-G217 WeakPolarHBondContact O-CA 3.44Å; R213-G217 PolarHBondContact O-N 3.33Å; G217-R219 VanDerWaalsContact C-N 3.34Å; G217-R219 WeakPolarHBondContact O-CG 3.01Å; G217-R219 PolarHBondContact O-N 2.97Å
218	D	97.4	Very high	97.4	Very high	76 Å²	76	47.2 Å²	47.2	41%	0.406	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	45.4	174.4	-150.2	39.5	0	0	0	113.7	R213 V216	R213-D218 HydrophobicContact CB-CB 4.31Å; R213-D218 WeakPolarHBondContact CB-OD1 3.32Å; R213-D218 VanDerWaalsContact CG-OD1 3.3Å; R213-D218 WeakPolarHBondContact CG-OD1 3.34Å; R213-D218 IonicContact CZ-OD1 2.74Å; R213-D218 IonicContact CZ-OD2 3.03Å; R213-D218 IonicContact NE-OD1 3.77Å; R213-D218 PolarHBondContact NE-OD1 3Å; R213-D218 IonicContact NE-OD2 3.45Å; R213-D218 PolarHBondContact NE-OD2 3.18Å; R213-D218 IonicContact NH2-OD1 2.9Å; R213-D218 IonicContact NH2-OD2 2.67Å; R213-D218 PolarHBondContact NH2-OD2 3.39Å; R213-D218 PolarHBondContact O-N 3.01Å; V216-D218 VanDerWaalsContact C-N 3.29Å; V216-D218 PolarHBondContact O-N 2.87Å
219	R	97.1	Very high	97.4	Very high	114 Å²	114	48.1 Å²	48.1	43%	0.43	23%	0.23	S	C	.	.			trans	-107.5	162.3	-175.3	-46.3	-172.2	174.8	-171.7	-11.1	112.2	G217 W221 R235 V278	G217-R219 VanDerWaalsContact C-N 3.34Å; G217-R219 WeakPolarHBondContact O-CG 3.01Å; G217-R219 PolarHBondContact O-N 2.97Å; R219-W221 HydrophobicContact CB-CD2 4.31Å; R219-W221 HydrophobicContact CB-CG 4.44Å; R219-W221 HydrophobicContact CB-CZ2 4.29Å; R219-W221 HydrophobicContact CG-CZ2 4.27Å; R219-W221 PolarHBondContact O-N 2.74Å; R219-R235 VanDerWaalsContact NH2-NH1 3.15Å; R219-V278 WeakPolarHBondContact O-CG2 3.42Å
220	Q	96.7	Very high	97.3	Very high	194 Å²	194	48.1 Å²	48.1	91%	0.907	23%	0.229	S	C	*	.			trans	-74.6	57.8	175.7	-64.8	-177.5	-19.7	0	0	112.7
221	W	97.2	Very high	97.2	Very high	33 Å²	33	51.4 Å²	51.4	13%	0.125	25%	0.247	C	C	.	.			trans	-68.5	145.8	171.8	-56.1	115.1	0	0	0	110.7	V216 R219 P223 D228 N231 A232 V280	V216-W221 PolarHBondContact O-NE1 3.49Å; R219-W221 HydrophobicContact CB-CD2 4.31Å; R219-W221 HydrophobicContact CB-CG 4.44Å; R219-W221 HydrophobicContact CB-CZ2 4.29Å; R219-W221 HydrophobicContact CG-CZ2 4.27Å; R219-W221 PolarHBondContact O-N 2.74Å; W221-P223 WeakPolarHBondContact O-CD 3.02Å; W221-D228 HydrophobicContact CB-CB 4.22Å; W221-D228 HydrophobicContact CD2-CB 4.43Å; W221-D228 HydrophobicContact CE3-CB 3.72Å; W221-D228 HydrophobicContact CZ3-CB 4.48Å; W221-N231 HydrophobicContact CH2-CB 4.07Å; W221-N231 HydrophobicContact CZ3-CB 4.02Å; W221-A232 HydrophobicContact CD2-CB 4.2Å; W221-A232 HydrophobicContact CH2-CB 4.46Å; W221-A232 HydrophobicContact CZ2-CB 3.83Å; W221-V280 HydrophobicContact CB-CG1 3.43Å; W221-V280 VanDerWaalsContact CB-CG1 3.43Å; W221-V280 HydrophobicContact CD2-CG1 4.45Å; W221-V280 HydrophobicContact CG-CG1 3.68Å
222	K	97.2	Very high	97.1	Very high	135 Å²	135	51.4 Å²	51.4	59%	0.587	25%	0.247	S	C	*	.			trans	-80.2	120.2	168.6	-67.3	-179.7	-179.7	-179.4	0	109.3	D224 N225 D228	K222-D224 VanDerWaalsContact C-N 3.28Å; K222-D224 PolarHBondContact O-N 3.42Å; K222-N225 HydrophobicContact CB-CB 3.6Å; K222-N225 HydrophobicContact CD-CB 4.46Å; K222-N225 PolarHBondContact O-N 2.91Å; K222-N225 VanDerWaalsContact O-N 3.11Å; K222-D228 WeakPolarHBondContact CB-OD2 3.33Å; K222-D228 PolarHBondContact N-OD2 3Å
223	P	97.2	Very high	97	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.052	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.5	-172.3	-30.3	38.7	0	0	0	115.5	W221 G279 V280 G281 V282 F287 W298	W221-P223 WeakPolarHBondContact O-CD 3.02Å; P223-G279 WeakPolarHBondContact CA-O 3.5Å; P223-V280 CarbonylContact O-C 3.49Å; P223-G281 PolarHBondContact O-N 2.79Å; P223-V282 HydrophobicContact CB-CB 4.24Å; P223-V282 HydrophobicContact CB-CG2 3.84Å; P223-V282 PolarHBondContact O-N 3.19Å; P223-F287 HydrophobicContact CB-CD2 3.91Å; P223-F287 HydrophobicContact CB-CE2 3.85Å; P223-F287 HydrophobicContact CG-CD2 4.35Å; P223-F287 HydrophobicContact CG-CE2 3.77Å; P223-F287 HydrophobicContact CG-CZ 4.4Å; P223-W298 HydrophobicContact CG-CE3 4.01Å; P223-W298 HydrophobicContact CG-CH2 4.1Å; P223-W298 HydrophobicContact CG-CZ3 3.4Å; P223-W298 VanDerWaalsContact CG-CZ3 3.4Å
224	D	97.3	Very high	96.7	Very high	48 Å²	48	51.7 Å²	51.7	26%	0.257	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.6	-177.8	66.8	-26	0	0	0	114	K222 V282 H284 F287	K222-D224 VanDerWaalsContact C-N 3.28Å; K222-D224 PolarHBondContact O-N 3.42Å; D224-V282 WeakPolarHBondContact CA-O 3.23Å; D224-H284 HydrophobicContact CB-CB 4.49Å; D224-H284 IonicContact OD2-CE1 2.76Å; D224-H284 PolarHBondContact OD2-CE1 2.9Å; D224-H284 IonicContact OD2-CG 3.21Å; D224-H284 IonicContact OD2-ND1 2.68Å; D224-H284 PolarHBondContact OD2-ND1 2.86Å; D224-F287 HydrophobicContact CB-CB 3.92Å; D224-F287 HydrophobicContact CB-CD1 3.91Å; D224-F287 HydrophobicContact CB-CG 3.98Å
225	N	97.2	Very high	96.5	Very high	51 Å²	51	54.7 Å²	54.7	27%	0.273	26%	0.262	S	S	.	.			trans	-90.2	123.3	179.2	-175	-82.8	0	0	0	111.4	K222 D227 D228 K229	K222-N225 HydrophobicContact CB-CB 3.6Å; K222-N225 HydrophobicContact CD-CB 4.46Å; K222-N225 PolarHBondContact O-N 2.91Å; K222-N225 VanDerWaalsContact O-N 3.11Å; N225-D227 WeakPolarHBondContact OD1-CA 3.42Å; N225-D227 WeakPolarHBondContact OD1-CB 3.17Å; N225-D227 PolarHBondContact OD1-N 3.46Å; N225-D228 HydrophobicContact CB-CB 4.05Å; N225-D228 PolarHBondContact O-N 3.07Å; N225-D228 PolarHBondContact OD1-N 3.26Å; N225-K229 PolarHBondContact O-N 3.45Å; N225-K229 VanDerWaalsContact O-N 3.14Å
226	L	95.7	Very high	96.3	Very high	74 Å²	74	54.8 Å²	54.8	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-39.2	-178.2	-180	59.6	0	0	0	113	D228 K229 I230 L255	L226-D228 VanDerWaalsContact C-N 3.34Å; L226-K229 HydrophobicContact CD1-CD 4.44Å; L226-K229 WeakPolarHBondContact O-CB 3.45Å; L226-K229 PolarHBondContact O-N 2.92Å; L226-I230 HydrophobicContact CD1-CD1 4.05Å; L226-I230 HydrophobicContact CD1-CG1 4.29Å; L226-I230 HydrophobicContact CG-CD1 3.91Å; L226-I230 WeakPolarHBondContact O-CG1 3.45Å; L226-I230 PolarHBondContact O-N 3.07Å; L226-L255 HydrophobicContact CD2-CB 3.95Å
227	D	96	Very high	96	Very high	101 Å²	101	56.8 Å²	56.8	54%	0.54	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-39.9	179.4	-66	-33.9	0	0	0	110.7	N225 I230 N231	N225-D227 WeakPolarHBondContact OD1-CA 3.42Å; N225-D227 WeakPolarHBondContact OD1-CB 3.17Å; N225-D227 PolarHBondContact OD1-N 3.46Å; D227-I230 PolarHBondContact O-N 3.16Å; D227-N231 VanDerWaalsContact O-CB 3.24Å; D227-N231 WeakPolarHBondContact O-CB 3.38Å; D227-N231 PolarHBondContact O-N 3.45Å; D227-N231 PolarHBondContact O-ND2 3.46Å
228	D	97.3	Very high	95.9	Very high	33 Å²	33	56.3 Å²	56.3	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-41.9	174.4	-75.5	-10.8	0	0	0	111.7	W221 K222 N225 L226 N231 A232	W221-D228 HydrophobicContact CB-CB 4.22Å; W221-D228 HydrophobicContact CD2-CB 4.43Å; W221-D228 HydrophobicContact CE3-CB 3.72Å; W221-D228 HydrophobicContact CZ3-CB 4.48Å; K222-D228 WeakPolarHBondContact CB-OD2 3.33Å; K222-D228 PolarHBondContact N-OD2 3Å; N225-D228 HydrophobicContact CB-CB 4.05Å; N225-D228 PolarHBondContact O-N 3.07Å; N225-D228 PolarHBondContact OD1-N 3.26Å; L226-D228 VanDerWaalsContact C-N 3.34Å; D228-N231 PolarHBondContact O-N 2.97Å; D228-A232 VanDerWaalsContact O-CB 3.23Å; D228-A232 WeakPolarHBondContact O-CB 3.47Å; D228-A232 PolarHBondContact O-N 3.3Å
229	K	96.9	Very high	95.7	Very high	20 Å²	20	54.1 Å²	54.1	9%	0.087	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-51.6	172.1	-174.8	-164.6	-172.7	179.9	0	111.4	N225 L226 A232 F233 G256 V280	N225-K229 PolarHBondContact O-N 3.45Å; N225-K229 VanDerWaalsContact O-N 3.14Å; L226-K229 HydrophobicContact CD1-CD 4.44Å; L226-K229 WeakPolarHBondContact O-CB 3.45Å; L226-K229 PolarHBondContact O-N 2.92Å; K229-A232 PolarHBondContact O-N 3.23Å; K229-F233 HydrophobicContact CD-CE2 4.45Å; K229-F233 HydrophobicContact CG-CD2 4.11Å; K229-F233 HydrophobicContact CG-CE2 3.94Å; K229-F233 HydrophobicContact CG-CZ 4.32Å; K229-F233 WeakPolarHBondContact O-CB 3.36Å; K229-F233 WeakPolarHBondContact O-CG 3.27Å; K229-F233 PolarHBondContact O-N 3.17Å; K229-G256 PolarHBondContact NZ-O 3.46Å; K229-V280 HydrophobicContact CB-CB 4.09Å; K229-V280 HydrophobicContact CB-CG2 4.5Å; K229-V280 HydrophobicContact CG-CB 4.36Å; K229-V280 HydrophobicContact CG-CG2 4.3Å
230	I	95.1	Very high	95.5	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.062	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-47.6	-178.1	-71.5	170.5	0	0	0	110.1	L226 D227 F233 H234 L255 I312	L226-I230 HydrophobicContact CD1-CD1 4.05Å; L226-I230 HydrophobicContact CD1-CG1 4.29Å; L226-I230 HydrophobicContact CG-CD1 3.91Å; L226-I230 WeakPolarHBondContact O-CG1 3.45Å; L226-I230 PolarHBondContact O-N 3.07Å; D227-I230 PolarHBondContact O-N 3.16Å; I230-F233 PolarHBondContact O-N 3.3Å; I230-H234 VanDerWaalsContact CG2-CD2 3.45Å; I230-H234 WeakPolarHBondContact CG2-CD2 3.17Å; I230-H234 WeakPolarHBondContact O-CB 3.36Å; I230-H234 PolarHBondContact O-CD2 2.91Å; I230-H234 PolarHBondContact O-N 2.96Å; I230-L255 HydrophobicContact CD1-CB 4.08Å; I230-L255 HydrophobicContact CD1-CD2 4.44Å; I230-I312 HydrophobicContact CG1-CD1 4.37Å
231	N	95.5	Very high	94.9	Very high	86 Å²	86	43 Å²	43	46%	0.46	22%	0.221	S	C	.	.	H	α-helix	trans	-64.2	-41.6	179.9	-73.5	-36.1	0	0	0	112.5	W221 D227 D228 R235	W221-N231 HydrophobicContact CH2-CB 4.07Å; W221-N231 HydrophobicContact CZ3-CB 4.02Å; D227-N231 VanDerWaalsContact O-CB 3.24Å; D227-N231 WeakPolarHBondContact O-CB 3.38Å; D227-N231 PolarHBondContact O-N 3.45Å; D227-N231 PolarHBondContact O-ND2 3.46Å; D228-N231 PolarHBondContact O-N 2.97Å; N231-R235 WeakPolarHBondContact O-CG 3.32Å
232	A	96.8	Very high	94.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-48.9	176.1	0	0	0	0	0	111.1	V216 W221 D228 K229 R235 V280	V216-A232 HydrophobicContact CB-CB 4.3Å; V216-A232 HydrophobicContact CG1-CB 4.38Å; W221-A232 HydrophobicContact CD2-CB 4.2Å; W221-A232 HydrophobicContact CH2-CB 4.46Å; W221-A232 HydrophobicContact CZ2-CB 3.83Å; D228-A232 VanDerWaalsContact O-CB 3.23Å; D228-A232 WeakPolarHBondContact O-CB 3.47Å; D228-A232 PolarHBondContact O-N 3.3Å; K229-A232 PolarHBondContact O-N 3.23Å; A232-R235 WeakPolarHBondContact O-CB 3.42Å; A232-R235 PolarHBondContact O-N 2.8Å; A232-V280 HydrophobicContact CB-CG1 4.18Å; A232-V280 HydrophobicContact CB-CG2 4.35Å
233	F	95.9	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.7	-29.5	-174.8	-72.4	5	0	0	0	113.2	V216 K229 I230 R235 V236 Q237 V280 Q307 I308 V309 I312	V216-F233 HydrophobicContact CG1-CE1 4.14Å; K229-F233 HydrophobicContact CD-CE2 4.45Å; K229-F233 HydrophobicContact CG-CD2 4.11Å; K229-F233 HydrophobicContact CG-CE2 3.94Å; K229-F233 HydrophobicContact CG-CZ 4.32Å; K229-F233 WeakPolarHBondContact O-CB 3.36Å; K229-F233 WeakPolarHBondContact O-CG 3.27Å; K229-F233 PolarHBondContact O-N 3.17Å; I230-F233 PolarHBondContact O-N 3.3Å; F233-R235 PolarHBondContact O-N 2.9Å; F233-R235 VanDerWaalsContact O-N 3.17Å; F233-V236 PolarHBondContact O-N 3.41Å; F233-Q237 PolarHBondContact O-NE2 3.16Å; F233-V280 HydrophobicContact CD1-CG2 4.11Å; F233-V280 HydrophobicContact CE1-CG2 3.36Å; F233-V280 HydrophobicContact CZ-CG2 3.72Å; F233-Q307 HydrophobicContact CE2-CG 4.11Å; F233-Q307 VanDerWaalsContact CZ-CD 3.44Å; F233-Q307 HydrophobicContact CZ-CG 3.8Å; F233-I308 WeakPolarHBondContact CE2-O 3.2Å; F233-V309 HydrophobicContact CB-CG1 4.18Å; F233-V309 WeakPolarHBondContact CB-O 3.33Å; F233-V309 HydrophobicContact CD1-CB 4.47Å; F233-V309 HydrophobicContact CD1-CG1 3.74Å; F233-V309 HydrophobicContact CD2-CG1 4.39Å; F233-V309 WeakPolarHBondContact CD2-O 3.47Å; F233-V309 HydrophobicContact CE1-CG1 4.18Å; F233-V309 HydrophobicContact CE1-CG2 4.21Å; F233-V309 HydrophobicContact CG-CB 4.48Å; F233-V309 HydrophobicContact CG-CG1 3.86Å; F233-V309 HydrophobicContact CZ-CG2 4.27Å; F233-I312 HydrophobicContact CB-CD1 3.78Å; F233-I312 HydrophobicContact CB-CG1 4.36Å; F233-I312 HydrophobicContact CD2-CD1 3.93Å; F233-I312 HydrophobicContact CD2-CG1 4.49Å; F233-I312 HydrophobicContact CD2-CG2 4.13Å; F233-I312 HydrophobicContact CG-CD1 4.36Å
234	H	92.3	Very high	92.8	Very high	73 Å²	73	46 Å²	46	34%	0.338	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-21.6	174.1	-98.1	-64.8	0	0	0	114.3	I230 V236 Q237 S314	I230-H234 VanDerWaalsContact CG2-CD2 3.45Å; I230-H234 WeakPolarHBondContact CG2-CD2 3.17Å; I230-H234 WeakPolarHBondContact O-CB 3.36Å; I230-H234 PolarHBondContact O-CD2 2.91Å; I230-H234 PolarHBondContact O-N 2.96Å; H234-V236 VanDerWaalsContact C-N 3.34Å; H234-Q237 WeakPolarHBondContact O-CG 3.38Å; H234-S314 PolarHBondContact CE1-OG 3.05Å; H234-S314 VanDerWaalsContact CE1-OG 3.25Å; H234-S314 WeakPolarHBondContact NE2-CB 3.35Å; H234-S314 PolarHBondContact NE2-OG 3.15Å
235	R	93.1	Very high	92.3	Very high	80 Å²	80	47.1 Å²	47.1	30%	0.302	27%	0.269	S	S	.	.	H	α-helix	trans	-67.7	-36.9	177.6	-57.3	175.8	66.8	80.6	6.2	111.2	D184 R219 N231 A232 F233	D184-R235 HydrophobicContact CB-CB 3.8Å; D184-R235 WeakPolarHBondContact CB-O 3.45Å; D184-R235 IonicContact OD1-NE 3.91Å; D184-R235 IonicContact OD1-NH2 3.74Å; D184-R235 IonicContact OD2-CZ 2.97Å; D184-R235 VanDerWaalsContact OD2-CZ 3.3Å; D184-R235 IonicContact OD2-NE 2.74Å; D184-R235 PolarHBondContact OD2-NE 3.25Å; D184-R235 IonicContact OD2-NH2 2.74Å; D184-R235 PolarHBondContact OD2-NH2 3.29Å; R219-R235 VanDerWaalsContact NH2-NH1 3.15Å; N231-R235 WeakPolarHBondContact O-CG 3.32Å; A232-R235 WeakPolarHBondContact O-CB 3.42Å; A232-R235 PolarHBondContact O-N 2.8Å; F233-R235 PolarHBondContact O-N 2.9Å; F233-R235 VanDerWaalsContact O-N 3.17Å
236	V	94.4	Very high	91.8	Very high	1 Å²	1	45 Å²	45	1%	0.006	26%	0.258	C	S	.	.			trans	-105.5	87.9	-173.7	-172.6	0	0	0	0	111	D184 L215 F233 H234 I238	D184-V236 HydrophobicContact CB-CG2 4.44Å; L215-V236 HydrophobicContact CD2-CB 4.45Å; L215-V236 HydrophobicContact CD2-CG1 3.96Å; L215-V236 HydrophobicContact CD2-CG2 4.36Å; L215-V236 WeakPolarHBondContact O-CG2 3.5Å; F233-V236 PolarHBondContact O-N 3.41Å; H234-V236 VanDerWaalsContact C-N 3.34Å; V236-I238 HydrophobicContact CG1-CD1 4.22Å; V236-I238 HydrophobicContact CG1-CG1 4.04Å
237	Q	93.3	Very high	91.3	Very high	42 Å²	42	41.8 Å²	41.8	20%	0.196	24%	0.241	C	C	.	.			trans	-119.1	58.7	-179	-62.4	-59.5	-41.8	0	0	111.6	Y194 F233 H234 G239 R240 S310	Y194-Q237 PolarHBondContact OH-O 3Å; F233-Q237 PolarHBondContact O-NE2 3.16Å; H234-Q237 WeakPolarHBondContact O-CG 3.38Å; Q237-G239 PolarHBondContact O-N 3.12Å; Q237-R240 HydrophobicContact CB-CB 4.28Å; Q237-R240 PolarHBondContact O-N 2.73Å; Q237-S310 PolarHBondContact OE1-OG 2.61Å
238	I	95.4	Very high	90.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	115.5	-175.2	-57.8	174.8	0	0	0	110.6	I186 Y194 L197 I204 F206 V236 R240 P266 V268	I186-I238 HydrophobicContact CD1-CD1 4.19Å; Y194-I238 HydrophobicContact CD2-CG2 4.44Å; Y194-I238 HydrophobicContact CE2-CB 4.39Å; Y194-I238 HydrophobicContact CE2-CG1 4.49Å; Y194-I238 HydrophobicContact CE2-CG2 4.2Å; L197-I238 HydrophobicContact CB-CG2 3.84Å; I204-I238 HydrophobicContact CD1-CB 4.45Å; I204-I238 HydrophobicContact CD1-CD1 3.93Å; I204-I238 HydrophobicContact CD1-CG2 4.04Å; F206-I238 HydrophobicContact CE2-CD1 4.44Å; F206-I238 HydrophobicContact CZ-CD1 4.28Å; V236-I238 HydrophobicContact CG1-CD1 4.22Å; V236-I238 HydrophobicContact CG1-CG1 4.04Å; I238-R240 PolarHBondContact O-N 2.64Å; I238-R240 VanDerWaalsContact O-N 3.12Å; I238-P266 HydrophobicContact CB-CG 4.35Å; I238-P266 HydrophobicContact CG2-CG 4.12Å; I238-P266 VanDerWaalsContact O-CD 3.3Å; I238-P266 WeakPolarHBondContact O-CD 3.32Å; I238-V268 HydrophobicContact CD1-CG2 4.2Å
239	G	93	Very high	90.1	Very high	29 Å²	29	49.2 Å²	49.2	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	1.4	177.1	0	0	0	0	0	115.3	Y194 S198 Q237 C264	Y194-G239 PolarHBondContact OH-N 3.34Å; S198-G239 VanDerWaalsContact CB-CA 3.48Å; S198-G239 WeakPolarHBondContact OG-CA 3.4Å; S198-G239 PolarHBondContact OG-N 2.78Å; S198-G239 VanDerWaalsContact OG-N 3.15Å; Q237-G239 PolarHBondContact O-N 3.12Å; G239-C264 VanDerWaalsContact O-O 3.13Å
240	R	92.4	Very high	89.6	Confident	18 Å²	18	50.7 Å²	50.7	7%	0.068	28%	0.276	C	S	.	.			trans	-98.3	123.1	-172.3	-170.5	173.9	-49.2	-60.6	-5.3	111.2	Q237 I238 C244 C262 C264 G265 P266 S310	Q237-R240 HydrophobicContact CB-CB 4.28Å; Q237-R240 PolarHBondContact O-N 2.73Å; I238-R240 PolarHBondContact O-N 2.64Å; I238-R240 VanDerWaalsContact O-N 3.12Å; R240-C244 HydrophobicContact CG-CB 4.16Å; R240-C262 PolarHBondContact NH1-SG 2.78Å; R240-C264 WeakPolarHBondContact CA-O 3.43Å; R240-C264 HydrophobicContact CG-CB 4.27Å; R240-G265 VanDerWaalsContact NH1-N 3.14Å; R240-G265 PolarHBondContact NH1-O 2.64Å; R240-G265 PolarHBondContact NH2-O 3.45Å; R240-P266 PolarHBondContact NH2-O 2.55Å; R240-S310 PolarHBondContact NE-OG 3.19Å
241	S	84.4	Confident	89.1	Confident	58 Å²	58	62.5 Å²	62.5	41%	0.406	32%	0.32	S	S	.	.			trans	-62.4	136.8	174.1	-177.8	0	0	0	0	111.2	S243 C244	S241-S243 PolarHBondContact O-N 3.14Å; S241-S243 VanDerWaalsContact O-N 3.1Å; S241-S243 PolarHBondContact OG-N 3.32Å; S241-S243 VanDerWaalsContact OG-N 3.16Å; S241-S243 PolarHBondContact OG-OG 2.96Å; S241-C244 VanDerWaalsContact O-CB 3.3Å; S241-C244 WeakPolarHBondContact O-CB 3.36Å; S241-C244 PolarHBondContact O-N 2.93Å
242	P	80	Confident	88.7	Confident	129 Å²	129	64.4 Å²	64.4	84%	0.838	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.7	168.3	-24.6	34.1	0	0	0	113.6	C244	P242-C244 PolarHBondContact O-N 2.98Å
243	S	82	Confident	88.2	Confident	91 Å²	91	67.2 Å²	67.2	64%	0.636	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	12	176.8	65.1	0	0	0	0	114.5	S241 T245	S241-S243 PolarHBondContact O-N 3.14Å; S241-S243 VanDerWaalsContact O-N 3.1Å; S241-S243 PolarHBondContact OG-N 3.32Å; S241-S243 VanDerWaalsContact OG-N 3.16Å; S241-S243 PolarHBondContact OG-OG 2.96Å; S243-T245 PolarHBondContact O-N 2.81Å
244	C	84.8	Confident	88	Confident	17 Å²	17	73.4 Å²	73.4	12%	0.115	38%	0.375	C	S	.	.			trans	-64.1	116.9	179.7	-177.2	0	0	0	0	111.6	R240 S241 P242 C264	R240-C244 HydrophobicContact CG-CB 4.16Å; S241-C244 VanDerWaalsContact O-CB 3.3Å; S241-C244 WeakPolarHBondContact O-CB 3.36Å; S241-C244 PolarHBondContact O-N 2.93Å; P242-C244 PolarHBondContact O-N 2.98Å; C244-C264 HydrophobicContact CB-CB 4.32Å
245	T	86.9	Confident	88	Confident	73 Å²	73	73.7 Å²	73.7	45%	0.448	38%	0.379	S	S	.	.			trans	-104.6	18.5	-179.7	56.9	0	0	0	0	114	S243 S247 K248 S317	S243-T245 PolarHBondContact O-N 2.81Å; T245-S247 PolarHBondContact O-N 2.8Å; T245-K248 HydrophobicContact CG2-CD 4.43Å; T245-K248 WeakPolarHBondContact O-CB 3.2Å; T245-K248 PolarHBondContact O-N 3.5Å; T245-K248 VanDerWaalsContact O-N 3.07Å; T245-S317 VanDerWaalsContact CA-OXT 3.31Å; T245-S317 WeakPolarHBondContact CA-OXT 3.31Å
246	C	86.6	Confident	88	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.041	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-61.8	-29.9	-174	-77.6	0	0	0	0	113.5	K248 K249 I259 C262	C246-K248 PolarHBondContact O-N 3.13Å; C246-K249 WeakPolarHBondContact O-CB 3.3Å; C246-K249 PolarHBondContact O-N 3.32Å; C246-I259 HydrophobicContact CB-CG2 4.31Å; C246-C262 HydrophobicContact CB-CB 3.92Å; C246-C262 PolarHBondContact SG-SG 3.19Å
247	S	84.5	Confident	87.9	Confident	6 Å²	6	73.2 Å²	73.2	4%	0.042	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-58.3	-34	174.7	58.6	0	0	0	0	112.8	T245 K249 L250 S317	T245-S247 PolarHBondContact O-N 2.8Å; S247-K249 PolarHBondContact O-N 2.81Å; S247-K249 VanDerWaalsContact O-N 3.1Å; S247-L250 WeakPolarHBondContact O-CB 3.14Å; S247-L250 PolarHBondContact O-N 2.77Å; S247-S317 VanDerWaalsContact CB-OG 3.23Å; S247-S317 WeakPolarHBondContact CB-OG 3.08Å; S247-S317 WeakPolarHBondContact OG-CB 3.36Å; S247-S317 PolarHBondContact OG-OG 2.89Å
248	K	84.8	Confident	88	Confident	140 Å²	140	72.4 Å²	72.4	61%	0.609	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-63.4	-16.4	179.6	-62	-169.3	166.1	79.9	0	113.6	T245 C246 S317	T245-K248 HydrophobicContact CG2-CD 4.43Å; T245-K248 WeakPolarHBondContact O-CB 3.2Å; T245-K248 PolarHBondContact O-N 3.5Å; T245-K248 VanDerWaalsContact O-N 3.07Å; C246-K248 PolarHBondContact O-N 3.13Å; K248-S317 PolarHBondContact NZ-O 3.23Å; K248-S317 PolarHBondContact NZ-OXT 3.21Å
249	K	84.8	Confident	87.9	Confident	151 Å²	151	72.5 Å²	72.5	66%	0.657	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-85.2	-14.5	177.7	-59.6	177.5	-175.8	173.1	0	112.7	C246 S247	C246-K249 WeakPolarHBondContact O-CB 3.3Å; C246-K249 PolarHBondContact O-N 3.32Å; S247-K249 PolarHBondContact O-N 2.81Å; S247-K249 VanDerWaalsContact O-N 3.1Å
250	L	85.3	Confident	87.8	Confident	51 Å²	51	72.3 Å²	72.3	27%	0.267	37%	0.374	S	S	.	.	S	Bend	trans	-75.9	141.5	179.9	-59	176.3	0	0	0	109.9	S247 P253 I259 V313	S247-L250 WeakPolarHBondContact O-CB 3.14Å; S247-L250 PolarHBondContact O-N 2.77Å; L250-P253 HydrophobicContact CB-CB 3.99Å; L250-P253 HydrophobicContact CB-CG 4.42Å; L250-P253 HydrophobicContact CD1-CB 4.08Å; L250-I259 HydrophobicContact CD1-CG1 4.19Å; L250-I259 HydrophobicContact CD1-CG2 4.42Å; L250-V313 HydrophobicContact CD1-CG2 3.8Å
251	R	85	Confident	87.5	Confident	259 Å²	259	75.8 Å²	75.8	98%	0.977	39%	0.394	S	S	*	.	S	Bend	trans	-69.6	-32.5	-177.4	-68.7	-175.4	-178.9	-173.3	-0.1	113.3
252	D	86.4	Confident	87.8	Confident	127 Å²	127	73.5 Å²	73.5	68%	0.679	38%	0.378	S	S	*	.	S	Bend	trans	-150.6	73.1	-178.5	-173.8	27.1	0	0	0	109.4	K254	D252-K254 PolarHBondContact O-N 3.43Å
253	P	87.3	Confident	88.1	Confident	59 Å²	59	72.8 Å²	72.8	38%	0.383	38%	0.376	S	S	.	.			trans	-73.6	115.3	-176.4	28	-30.7	0	0	0	110.7	L250 V313	L250-P253 HydrophobicContact CB-CB 3.99Å; L250-P253 HydrophobicContact CB-CG 4.42Å; L250-P253 HydrophobicContact CD1-CB 4.08Å; P253-V313 HydrophobicContact CB-CG1 3.84Å; P253-V313 HydrophobicContact CB-CG2 3.95Å
254	K	91.7	Very high	88.5	Confident	129 Å²	129	70.9 Å²	70.9	56%	0.561	36%	0.362	S	S	*	.			trans	-88.6	137.5	168.9	-55.9	179.8	178.7	-179.3	0	109.9	D252 G256 D257 V313	D252-K254 PolarHBondContact O-N 3.43Å; K254-G256 PolarHBondContact O-N 2.81Å; K254-D257 WeakPolarHBondContact CB-OD2 3.28Å; K254-D257 VanDerWaalsContact O-CB 3.31Å; K254-D257 WeakPolarHBondContact O-CB 3.47Å; K254-D257 PolarHBondContact O-N 3.43Å; K254-D257 VanDerWaalsContact O-N 3.09Å; K254-V313 WeakPolarHBondContact O-CB 3.09Å; K254-V313 WeakPolarHBondContact O-CG1 3.41Å
255	L	92.1	Very high	89	Confident	79 Å²	79	71 Å²	71	41%	0.414	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	134.5	177.2	-74.9	173.9	0	0	0	110.7	L226 I230 D257 V313	L226-L255 HydrophobicContact CD2-CB 3.95Å; I230-L255 HydrophobicContact CD1-CB 4.08Å; I230-L255 HydrophobicContact CD1-CD2 4.44Å; L255-D257 VanDerWaalsContact C-N 3.28Å; L255-D257 PolarHBondContact O-N 2.83Å; L255-V313 HydrophobicContact CD2-CG1 4.35Å
256	G	92.1	Very high	89.4	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.01	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-4.2	-177.9	0	0	0	0	0	115.5	K229 K254 V313	K229-G256 PolarHBondContact NZ-O 3.46Å; K254-G256 PolarHBondContact O-N 2.81Å; G256-V313 PolarHBondContact N-O 2.82Å
257	D	93.6	Very high	89.9	Confident	71 Å²	71	67.4 Å²	67.4	38%	0.38	34%	0.344	S	S	.	.			trans	-72.3	143.4	176.1	-81.1	1.6	0	0	0	111.4	K254 L255 I312 V313	K254-D257 WeakPolarHBondContact CB-OD2 3.28Å; K254-D257 VanDerWaalsContact O-CB 3.31Å; K254-D257 WeakPolarHBondContact O-CB 3.47Å; K254-D257 PolarHBondContact O-N 3.43Å; K254-D257 VanDerWaalsContact O-N 3.09Å; L255-D257 VanDerWaalsContact C-N 3.28Å; L255-D257 PolarHBondContact O-N 2.83Å; D257-I312 CarbonylContact O-C 3.58Å; D257-I312 VanDerWaalsContact O-CA 3.24Å; D257-I312 WeakPolarHBondContact O-CA 3.21Å; D257-V313 HydrophobicContact CB-CG2 4.36Å; D257-V313 PolarHBondContact O-N 3.3Å
258	P	94.1	Very high	90.5	Very high	24 Å²	24	67.1 Å²	67.1	16%	0.156	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-63.1	141.5	172.8	-22.3	33.3	0	0	0	113.6	D55 A58 I308	D55-P258 HydrophobicContact CB-CG 4.3Å; A58-P258 HydrophobicContact CB-CB 4.17Å; A58-P258 HydrophobicContact CB-CG 4.38Å; P258-I308 HydrophobicContact CB-CB 3.88Å; P258-I308 HydrophobicContact CB-CD1 3.59Å; P258-I308 HydrophobicContact CB-CG1 4.31Å; P258-I308 HydrophobicContact CB-CG2 3.93Å; P258-I308 HydrophobicContact CG-CB 3.96Å; P258-I308 HydrophobicContact CG-CD1 4.01Å; P258-I308 HydrophobicContact CG-CG1 4.47Å; P258-I308 HydrophobicContact CG-CG2 4.49Å
259	I	93	Very high	91.2	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	31%	0.313	C	S	.	.			trans	-102.4	109.4	174.3	-50	177.8	0	0	0	109.3	C246 L250 D261 C262 P311 V313	C246-I259 HydrophobicContact CB-CG2 4.31Å; L250-I259 HydrophobicContact CD1-CG1 4.19Å; L250-I259 HydrophobicContact CD1-CG2 4.42Å; I259-D261 WeakPolarHBondContact CG2-OD1 3.4Å; I259-C262 HydrophobicContact CB-CB 4.36Å; I259-C262 HydrophobicContact CG2-CB 3.83Å; I259-P311 HydrophobicContact CB-CB 4.11Å; I259-P311 HydrophobicContact CB-CG 4.1Å; I259-P311 HydrophobicContact CD1-CB 4.35Å; I259-P311 HydrophobicContact CG1-CB 4.47Å; I259-P311 PolarHBondContact N-O 3.41Å; I259-P311 WeakPolarHBondContact O-CG 3.49Å; I259-V313 HydrophobicContact CD1-CG2 4.15Å; I259-V313 HydrophobicContact CG1-CG2 3.88Å
260	T	91.6	Very high	91.8	Very high	25 Å²	25	53.3 Å²	53.3	15%	0.153	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.5	-172.4	57.6	0	0	0	0	115.1	A58 F62	A58-T260 HydrophobicContact CB-CG2 3.73Å; A58-T260 VanDerWaalsContact O-CG2 3.27Å; A58-T260 WeakPolarHBondContact O-CG2 3.22Å; F62-T260 WeakPolarHBondContact CD2-O 3.07Å
261	D	87.4	Confident	92.4	Very high	91 Å²	91	50.9 Å²	50.9	49%	0.487	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	20	-175.5	67.5	-25.7	0	0	0	113	I259	I259-D261 WeakPolarHBondContact CG2-OD1 3.4Å
262	C	89.3	Confident	92.9	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.061	22%	0.223	C	C	.	.			trans	-86.8	121.3	177.8	-175	0	0	0	0	111.6	R240 C246 I259 P311	R240-C262 PolarHBondContact NH1-SG 2.78Å; C246-C262 HydrophobicContact CB-CB 3.92Å; C246-C262 PolarHBondContact SG-SG 3.19Å; I259-C262 HydrophobicContact CB-CB 4.36Å; I259-C262 HydrophobicContact CG2-CB 3.83Å; C262-P311 HydrophobicContact CB-CB 4.18Å; C262-P311 HydrophobicContact CB-CG 3.44Å; C262-P311 VanDerWaalsContact CB-CG 3.44Å
263	S	87.7	Confident	93.3	Very high	114 Å²	114	32.5 Å²	32.5	80%	0.797	19%	0.191	S	C	*	.			trans	-102.6	7.9	177.7	66.5	0	0	0	0	114	G265	S263-G265 PolarHBondContact O-N 3.12Å; S263-G265 VanDerWaalsContact O-N 3.14Å
264	C	90.5	Very high	93.6	Very high	51 Å²	51	29.7 Å²	29.7	35%	0.345	17%	0.172	S	C	.	.	S	Bend	trans	-76.7	7.9	-174.7	-60.2	0	0	0	0	114.3	G239 R240 C244	G239-C264 VanDerWaalsContact O-O 3.13Å; R240-C264 WeakPolarHBondContact CA-O 3.43Å; R240-C264 HydrophobicContact CG-CB 4.27Å; C244-C264 HydrophobicContact CB-CB 4.32Å
265	G	93.6	Very high	93.8	Very high	19 Å²	19	25.1 Å²	25.1	20%	0.196	15%	0.152	C	C	.	.	S	Bend	trans	156.7	165.6	-172.1	0	0	0	0	0	110.4	R240 S263	R240-G265 VanDerWaalsContact NH1-N 3.14Å; R240-G265 PolarHBondContact NH1-O 2.64Å; R240-G265 PolarHBondContact NH2-O 3.45Å; S263-G265 PolarHBondContact O-N 3.12Å; S263-G265 VanDerWaalsContact O-N 3.14Å
266	P	96.3	Very high	94	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.013	14%	0.136	C	C	.	.			trans	-59.6	148.7	-179.6	23.7	-35.6	0	0	0	113.2	C201 D202 I204 I238 R240	C201-P266 HydrophobicContact CB-CB 4.45Å; D202-P266 WeakPolarHBondContact O-CA 3.3Å; I204-P266 HydrophobicContact CD1-CB 3.81Å; I204-P266 HydrophobicContact CD1-CG 3.63Å; I204-P266 HydrophobicContact CG1-CB 3.96Å; I204-P266 HydrophobicContact CG1-CG 4.34Å; I238-P266 HydrophobicContact CB-CG 4.35Å; I238-P266 HydrophobicContact CG2-CG 4.12Å; I238-P266 VanDerWaalsContact O-CD 3.3Å; I238-P266 WeakPolarHBondContact O-CD 3.32Å; R240-P266 PolarHBondContact NH2-O 2.55Å
267	M	96.9	Very high	94.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.7	162.5	179.9	173.4	-75.9	0	0	109.1	L59 F62 D202 L203 I204 V269 I308 S310	L59-M267 HydrophobicContact CD1-SD 3.95Å; F62-M267 HydrophobicContact CB-CE 3.59Å; F62-M267 HydrophobicContact CB-SD 3.98Å; F62-M267 HydrophobicContact CD1-CB 4.47Å; F62-M267 HydrophobicContact CD1-CE 4.1Å; F62-M267 HydrophobicContact CD1-SD 3.7Å; F62-M267 HydrophobicContact CD2-CE 3.55Å; F62-M267 HydrophobicContact CD2-SD 4.23Å; F62-M267 HydrophobicContact CE1-CB 4.09Å; F62-M267 HydrophobicContact CE1-SD 4.26Å; F62-M267 HydrophobicContact CE2-CB 4.2Å; F62-M267 HydrophobicContact CE2-CE 4.25Å; F62-M267 HydrophobicContact CG-CE 3.46Å; F62-M267 VanDerWaalsContact CG-CE 3.46Å; F62-M267 HydrophobicContact CG-SD 3.69Å; F62-M267 HydrophobicContact CZ-CB 3.94Å; D202-M267 PolarHBondContact O-N 2.97Å; L203-M267 CarbonylContact C-O 3.56Å; L203-M267 WeakPolarHBondContact CA-O 3.49Å; L203-M267 HydrophobicContact CD1-CB 4.09Å; L203-M267 HydrophobicContact CD1-CG 4.1Å; L203-M267 HydrophobicContact CD1-SD 4.37Å; I204-M267 PolarHBondContact N-O 3.29Å; M267-V269 HydrophobicContact CG-CG2 3.96Å; M267-V269 HydrophobicContact SD-CG2 4.2Å; M267-I308 HydrophobicContact CE-CD1 4.09Å; M267-I308 HydrophobicContact CG-CG2 4.15Å; M267-I308 HydrophobicContact SD-CD1 3.92Å; M267-I308 HydrophobicContact SD-CG1 4.16Å; M267-I308 HydrophobicContact SD-CG2 4.47Å; M267-S310 CarbonylContact C-O 3.51Å; M267-S310 WeakPolarHBondContact CA-O 3.23Å
268	V	97.9	Very high	94.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.5	176.3	179.8	0	0	0	0	108.8	I204 F206 L215 I238 V309 S310	I204-V268 HydrophobicContact CD1-CG2 4.47Å; I204-V268 WeakPolarHBondContact O-CA 3.31Å; F206-V268 HydrophobicContact CD2-CG1 3.76Å; F206-V268 HydrophobicContact CE2-CG1 3.6Å; L215-V268 HydrophobicContact CD2-CG1 4.02Å; I238-V268 HydrophobicContact CD1-CG2 4.2Å; V268-V309 HydrophobicContact CB-CB 4.3Å; V268-V309 HydrophobicContact CG1-CB 3.98Å; V268-V309 HydrophobicContact CG1-CG2 4.44Å; V268-V309 PolarHBondContact O-N 3.1Å; V268-S310 PolarHBondContact N-O 2.67Å; V268-S310 PolarHBondContact O-N 3.17Å
269	V	98.1	Very high	94.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.1	-178.1	-179.3	0	0	0	0	109.6	L59 L203 I204 I205 F206 M267 L271 Q307 I308	L59-V269 HydrophobicContact CD1-CG2 3.92Å; L59-V269 HydrophobicContact CD2-CG1 4.25Å; L59-V269 HydrophobicContact CD2-CG2 4.47Å; L203-V269 HydrophobicContact CD1-CG2 3.65Å; I204-V269 PolarHBondContact O-N 3.42Å; I205-V269 CarbonylContact C-O 3.54Å; I205-V269 WeakPolarHBondContact CA-O 3.38Å; F206-V269 PolarHBondContact N-O 2.84Å; M267-V269 HydrophobicContact CG-CG2 3.96Å; M267-V269 HydrophobicContact SD-CG2 4.2Å; V269-L271 HydrophobicContact CG1-CD2 4.07Å; V269-L271 HydrophobicContact CG1-CG 4.45Å; V269-Q307 CarbonylContact C-O 3.48Å; V269-Q307 WeakPolarHBondContact CA-O 3.46Å; V269-I308 HydrophobicContact CG2-CG1 4.15Å
270	A	98	Very high	94.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.6	166.5	0	0	0	0	0	110.6	F206 Y212 L215 Q307 V309	F206-A270 WeakPolarHBondContact O-CA 3.39Å; Y212-A270 HydrophobicContact CD2-CB 3.73Å; Y212-A270 HydrophobicContact CE2-CB 4.23Å; L215-A270 HydrophobicContact CD1-CB 3.72Å; A270-Q307 PolarHBondContact N-O 3.02Å; A270-Q307 PolarHBondContact O-N 3.06Å; A270-V309 HydrophobicContact CB-CG2 4.3Å
271	L	97.1	Very high	94.8	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	97.3	168.2	-59	-176.6	0	0	0	107.7	T13 L17 I205 F206 K207 G208 V269 F305 I306	T13-L271 HydrophobicContact CG2-CD1 4.01Å; T13-L271 HydrophobicContact CG2-CD2 3.85Å; L17-L271 HydrophobicContact CB-CB 4.38Å; L17-L271 VanDerWaalsContact CD1-C 3.49Å; L17-L271 HydrophobicContact CD1-CB 4.06Å; I205-L271 HydrophobicContact CG2-CD1 3.57Å; I205-L271 HydrophobicContact CG2-CG 3.75Å; F206-L271 PolarHBondContact O-N 3.06Å; K207-L271 CarbonylContact C-O 3.48Å; K207-L271 HydrophobicContact CD-CB 4.14Å; K207-L271 HydrophobicContact CD-CD1 4.03Å; G208-L271 PolarHBondContact N-O 2.97Å; V269-L271 HydrophobicContact CG1-CD2 4.07Å; V269-L271 HydrophobicContact CG1-CG 4.45Å; L271-F305 WeakPolarHBondContact CA-O 3.3Å; L271-I306 HydrophobicContact CD2-CB 4.26Å; L271-I306 HydrophobicContact CD2-CG1 3.97Å; L271-I306 HydrophobicContact CD2-CG2 3.96Å
272	R	96.2	Very high	95.3	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.8	-168.9	-177.5	-134.9	-176.1	-175.7	-5.3	111.1	L17 D209 Y212 S276 V278 G304 F305	L17-R272 VanDerWaalsContact CD1-N 3.26Å; D209-R272 IonicContact OD1-CZ 3.92Å; D209-R272 IonicContact OD1-NE 3.65Å; D209-R272 PolarHBondContact OD1-NE 3.2Å; D209-R272 IonicContact OD1-NH2 2.8Å; D209-R272 PolarHBondContact OD1-NH2 3.03Å; Y212-R272 HydrophobicContact CD2-CB 3.84Å; Y212-R272 HydrophobicContact CD2-CG 4.04Å; Y212-R272 HydrophobicContact CG-CB 4.14Å; Y212-R272 VanDerWaalsContact CG-CD 3.43Å; Y212-R272 HydrophobicContact CG-CG 3.83Å; R272-S276 PolarHBondContact NH2-O 3.2Å; R272-S276 PolarHBondContact NH2-OG 3Å; R272-V278 VanDerWaalsContact CZ-O 3.27Å; R272-V278 PolarHBondContact NH1-O 3.2Å; R272-V278 PolarHBondContact NH2-O 3.32Å; R272-V278 VanDerWaalsContact NH2-O 3.11Å; R272-G304 CarbonylContact O-C 3.59Å; R272-G304 WeakPolarHBondContact O-CA 3.34Å; R272-F305 HydrophobicContact CB-CB 4.28Å; R272-F305 PolarHBondContact N-O 2.72Å; R272-F305 PolarHBondContact O-N 3.37Å
273	V	94.8	Very high	95.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.2	157.5	171	0	0	0	0	107.2	L17 W18 N20 E21 K275 G301 Y303	L17-V273 HydrophobicContact CD1-CG2 4.3Å; W18-V273 HydrophobicContact CE3-CG2 4Å; W18-V273 HydrophobicContact CZ3-CG2 4.21Å; N20-V273 HydrophobicContact CB-CB 4.34Å; N20-V273 HydrophobicContact CB-CG2 3.93Å; E21-V273 HydrophobicContact CG-CG2 4.46Å; V273-K275 HydrophobicContact CG1-CG 4.44Å; V273-K275 PolarHBondContact O-N 2.98Å; V273-G301 WeakPolarHBondContact CG1-O 3.35Å; V273-Y303 CarbonylContact C-O 3.5Å; V273-Y303 WeakPolarHBondContact CA-O 3.24Å
274	A	94.7	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.			trans	-74.9	115.2	-171	0	0	0	0	0	112	W298 G301 Y303 F305	A274-W298 CarbonylContact C-O 3.58Å; A274-W298 HydrophobicContact CB-CB 4.3Å; A274-W298 WeakPolarHBondContact CB-O 3.31Å; A274-G301 WeakPolarHBondContact O-CA 3.48Å; A274-G301 PolarHBondContact O-N 2.8Å; A274-Y303 PolarHBondContact N-O 3.18Å; A274-F305 HydrophobicContact CB-CD2 4.4Å; A274-F305 HydrophobicContact CB-CE2 3.93Å
275	K	95.2	Very high	96.3	Very high	32 Å²	32	24.9 Å²	24.9	14%	0.139	14%	0.138	C	C	.	.			trans	-131.4	14.3	-177.9	-57.2	168.4	-178.2	159.3	0	112.3	N20 D23 L26 D209 V273 W298	N20-K275 PolarHBondContact ND2-NZ 3.32Å; N20-K275 PolarHBondContact O-NZ 3.29Å; N20-K275 PolarHBondContact OD1-NZ 3.45Å; D23-K275 IonicContact OD2-NZ 2.76Å; D23-K275 PolarHBondContact OD2-NZ 3.02Å; L26-K275 HydrophobicContact CD2-CD 4.49Å; L26-K275 HydrophobicContact CD2-CG 4.23Å; L26-K275 HydrophobicContact CG-CD 4.43Å; D209-K275 HydrophobicContact CB-CB 3.93Å; D209-K275 HydrophobicContact CB-CD 4.14Å; D209-K275 HydrophobicContact CB-CG 4.34Å; D209-K275 PolarHBondContact OD1-N 3.48Å; V273-K275 HydrophobicContact CG1-CG 4.44Å; V273-K275 PolarHBondContact O-N 2.98Å; K275-W298 CarbonylContact C-O 3.59Å; K275-W298 PolarHBondContact N-O 3.4Å; K275-W298 VanDerWaalsContact N-O 3.15Å
276	S	95.7	Very high	96.3	Very high	10 Å²	10	25.8 Å²	25.8	7%	0.07	14%	0.136	C	C	.	.	S	Bend	trans	-152.6	153.7	-178.7	52.2	0	0	0	0	111.7	D209 R213 R272 V278 W298	D209-S276 PolarHBondContact OD1-N 3.36Å; D209-S276 PolarHBondContact OD1-OG 2.95Å; D209-S276 WeakPolarHBondContact OD2-CB 3.46Å; D209-S276 PolarHBondContact OD2-OG 2.77Å; R213-S276 WeakPolarHBondContact CD-OG 3.4Å; R213-S276 WeakPolarHBondContact CG-OG 3.38Å; R272-S276 PolarHBondContact NH2-O 3.2Å; R272-S276 PolarHBondContact NH2-OG 3Å; S276-V278 PolarHBondContact O-N 3.27Å; S276-W298 CarbonylContact C-O 3.49Å; S276-W298 PolarHBondContact N-O 3.29Å
277	D	95.2	Very high	96.3	Very high	108 Å²	108	27.2 Å²	27.2	58%	0.578	14%	0.142	S	C	*	.	S	Bend	trans	-74.1	40.2	-177.5	61.6	-31.6	0	0	0	113.8	W298 T299	D277-W298 HydrophobicContact CB-CH2 4.45Å; D277-W298 HydrophobicContact CB-CZ2 3.94Å; D277-W298 WeakPolarHBondContact O-CH2 3.24Å; D277-W298 WeakPolarHBondContact O-CZ3 3.42Å; D277-T299 HydrophobicContact CB-CG2 4.33Å
278	V	96.6	Very high	96.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.159	C	C	.	.			trans	-131.9	143.7	174.3	69.8	0	0	0	0	110.6	Y212 R213 V216 R219 R272 S276	Y212-V278 HydrophobicContact CD1-CG1 4.31Å; R213-V278 HydrophobicContact CG-CG1 3.72Å; V216-V278 HydrophobicContact CG2-CG1 4.33Å; V216-V278 HydrophobicContact CG2-CG2 3.49Å; V216-V278 VanDerWaalsContact CG2-CG2 3.49Å; R219-V278 WeakPolarHBondContact O-CG2 3.42Å; R272-V278 VanDerWaalsContact CZ-O 3.27Å; R272-V278 PolarHBondContact NH1-O 3.2Å; R272-V278 PolarHBondContact NH2-O 3.32Å; R272-V278 VanDerWaalsContact NH2-O 3.11Å; S276-V278 PolarHBondContact O-N 3.27Å
279	G	96.2	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.			trans	-178.5	151.1	176.9	0	0	0	0	0	110.4	P223	P223-G279 WeakPolarHBondContact CA-O 3.5Å
280	V	97.6	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.			trans	-140.9	156.5	173.5	-68.3	0	0	0	0	110.9	Y212 V216 W221 P223 K229 A232 F233 Q307	Y212-V280 PolarHBondContact OH-N 3.15Å; V216-V280 HydrophobicContact CG1-CG2 4.21Å; W221-V280 HydrophobicContact CB-CG1 3.43Å; W221-V280 VanDerWaalsContact CB-CG1 3.43Å; W221-V280 HydrophobicContact CD2-CG1 4.45Å; W221-V280 HydrophobicContact CG-CG1 3.68Å; P223-V280 CarbonylContact O-C 3.49Å; K229-V280 HydrophobicContact CB-CB 4.09Å; K229-V280 HydrophobicContact CB-CG2 4.5Å; K229-V280 HydrophobicContact CG-CB 4.36Å; K229-V280 HydrophobicContact CG-CG2 4.3Å; A232-V280 HydrophobicContact CB-CG1 4.18Å; A232-V280 HydrophobicContact CB-CG2 4.35Å; F233-V280 HydrophobicContact CD1-CG2 4.11Å; F233-V280 HydrophobicContact CE1-CG2 3.36Å; F233-V280 HydrophobicContact CZ-CG2 3.72Å; V280-Q307 PolarHBondContact O-NE2 3.27Å
281	G	96.7	Very high	95.8	Very high	19 Å²	19	37.2 Å²	37.2	20%	0.196	19%	0.19	C	C	.	.			trans	73.1	25.7	173.4	0	0	0	0	0	114.9	V53 P223	V53-G281 WeakPolarHBondContact CG2-O 3.47Å; P223-G281 PolarHBondContact O-N 2.79Å
282	V	97	Very high	95.7	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	22%	0.224	C	C	.	.			trans	-75.8	136.6	168.4	-173.6	0	0	0	0	108.3	V52 V53 P223 D224 R286 F287 L290 W297 F305	V52-V282 HydrophobicContact CG1-CB 4.22Å; V52-V282 HydrophobicContact CG1-CG1 3.48Å; V52-V282 VanDerWaalsContact CG1-CG1 3.48Å; V52-V282 HydrophobicContact CG1-CG2 3.77Å; V53-V282 HydrophobicContact CG2-CG2 4.35Å; P223-V282 HydrophobicContact CB-CB 4.24Å; P223-V282 HydrophobicContact CB-CG2 3.84Å; P223-V282 PolarHBondContact O-N 3.19Å; D224-V282 WeakPolarHBondContact CA-O 3.23Å; V282-R286 HydrophobicContact CG1-CB 4.42Å; V282-R286 HydrophobicContact CG1-CG 4.39Å; V282-F287 HydrophobicContact CB-CB 4.47Å; V282-F287 HydrophobicContact CG1-CB 3.88Å; V282-L290 HydrophobicContact CG1-CD1 4.5Å; V282-W297 HydrophobicContact CG2-CH2 4.03Å; V282-F305 HydrophobicContact CG2-CE1 4.04Å; V282-F305 HydrophobicContact CG2-CZ 4.22Å
283	D	95.8	Very high	95.5	Very high	100 Å²	100	48.2 Å²	48.2	54%	0.535	25%	0.246	S	C	.	.			trans	-61.7	142.5	172.4	174.6	-97.1	0	0	0	110.8	D285 R286 F287	D283-D285 PolarHBondContact O-N 2.8Å; D283-D285 WeakPolarHBondContact OD1-CB 3.42Å; D283-D285 PolarHBondContact OD1-N 2.8Å; D283-R286 HydrophobicContact CB-CB 4.06Å; D283-R286 PolarHBondContact O-N 3.01Å; D283-R286 PolarHBondContact OD1-N 3.45Å; D283-F287 WeakPolarHBondContact O-CB 3.41Å; D283-F287 PolarHBondContact O-N 3.07Å
284	H	96.1	Very high	95.4	Very high	98 Å²	98	50.7 Å²	50.7	45%	0.454	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-42.9	-173.3	-177.3	69.3	0	0	0	112.7	D224 R286 F287 I288	D224-H284 HydrophobicContact CB-CB 4.49Å; D224-H284 IonicContact OD2-CE1 2.76Å; D224-H284 PolarHBondContact OD2-CE1 2.9Å; D224-H284 IonicContact OD2-CG 3.21Å; D224-H284 IonicContact OD2-ND1 2.68Å; D224-H284 PolarHBondContact OD2-ND1 2.86Å; H284-R286 VanDerWaalsContact C-N 3.34Å; H284-F287 PolarHBondContact O-N 3.49Å; H284-I288 VanDerWaalsContact NE2-CD1 3.34Å; H284-I288 WeakPolarHBondContact NE2-CD1 3.34Å; H284-I288 WeakPolarHBondContact O-CG1 3.45Å; H284-I288 PolarHBondContact O-N 3.47Å
285	D	96	Very high	95.3	Very high	121 Å²	121	58 Å²	58	65%	0.647	29%	0.293	S	S	*	.	H	α-helix	trans	-66.7	-41.9	179.2	-67.6	-19.9	0	0	0	109.9	D283 F287 I288 E289	D283-D285 PolarHBondContact O-N 2.8Å; D283-D285 WeakPolarHBondContact OD1-CB 3.42Å; D283-D285 PolarHBondContact OD1-N 2.8Å; D285-F287 VanDerWaalsContact C-N 3.34Å; D285-F287 PolarHBondContact O-N 2.89Å; D285-I288 PolarHBondContact O-N 2.78Å; D285-E289 PolarHBondContact O-N 3.33Å
286	R	94.8	Very high	95.2	Very high	38 Å²	38	61.7 Å²	61.7	14%	0.143	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-39.9	174.8	-175.2	54.5	174.2	162.1	3.6	112.2	K49 V52 V282 D283 H284 E289 L290	K49-R286 PolarHBondContact O-NH2 3.18Å; V52-R286 HydrophobicContact CG1-CG 4.47Å; V282-R286 HydrophobicContact CG1-CB 4.42Å; V282-R286 HydrophobicContact CG1-CG 4.39Å; D283-R286 HydrophobicContact CB-CB 4.06Å; D283-R286 PolarHBondContact O-N 3.01Å; D283-R286 PolarHBondContact OD1-N 3.45Å; H284-R286 VanDerWaalsContact C-N 3.34Å; R286-E289 WeakPolarHBondContact CD-OE2 3.44Å; R286-E289 IonicContact CZ-OE2 3.47Å; R286-E289 IonicContact NH1-OE1 3.45Å; R286-E289 PolarHBondContact NH1-OE1 2.9Å; R286-E289 IonicContact NH1-OE2 3.73Å; R286-E289 PolarHBondContact NH1-OE2 2.74Å; R286-E289 PolarHBondContact O-N 2.85Å; R286-L290 HydrophobicContact CG-CD1 4.07Å; R286-L290 WeakPolarHBondContact O-CD1 3.34Å; R286-L290 WeakPolarHBondContact O-CG 3.41Å; R286-L290 PolarHBondContact O-N 3.14Å
287	F	96.2	Very high	95.1	Very high	33 Å²	33	61.2 Å²	61.2	15%	0.145	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-44.4	177.2	178.1	-112.2	0	0	0	111.5	P223 D224 V282 D283 H284 D285 L290 Q291 W297	P223-F287 HydrophobicContact CB-CD2 3.91Å; P223-F287 HydrophobicContact CB-CE2 3.85Å; P223-F287 HydrophobicContact CG-CD2 4.35Å; P223-F287 HydrophobicContact CG-CE2 3.77Å; P223-F287 HydrophobicContact CG-CZ 4.4Å; D224-F287 HydrophobicContact CB-CB 3.92Å; D224-F287 HydrophobicContact CB-CD1 3.91Å; D224-F287 HydrophobicContact CB-CG 3.98Å; V282-F287 HydrophobicContact CB-CB 4.47Å; V282-F287 HydrophobicContact CG1-CB 3.88Å; D283-F287 WeakPolarHBondContact O-CB 3.41Å; D283-F287 PolarHBondContact O-N 3.07Å; H284-F287 PolarHBondContact O-N 3.49Å; D285-F287 VanDerWaalsContact C-N 3.34Å; D285-F287 PolarHBondContact O-N 2.89Å; F287-L290 PolarHBondContact O-N 3.36Å; F287-Q291 HydrophobicContact CD1-CG 4.37Å; F287-Q291 HydrophobicContact CD2-CG 4.27Å; F287-Q291 HydrophobicContact CE1-CG 4.01Å; F287-Q291 HydrophobicContact CE2-CG 3.91Å; F287-Q291 VanDerWaalsContact CE2-NE2 3.27Å; F287-Q291 HydrophobicContact CG-CG 4.5Å; F287-Q291 HydrophobicContact CZ-CG 3.77Å; F287-Q291 WeakPolarHBondContact O-CB 3.33Å; F287-Q291 VanDerWaalsContact O-CG 3.28Å; F287-Q291 WeakPolarHBondContact O-CG 3.42Å; F287-Q291 PolarHBondContact O-N 3.47Å; F287-W297 HydrophobicContact CD2-CZ2 4.13Å; F287-W297 HydrophobicContact CE2-CZ2 4.25Å
288	I	96	Very high	95	Very high	72 Å²	72	58.1 Å²	58.1	37%	0.369	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-45.1	175.5	-70	171.8	0	0	0	111	H284 D285 L290 Q291 N292	H284-I288 VanDerWaalsContact NE2-CD1 3.34Å; H284-I288 WeakPolarHBondContact NE2-CD1 3.34Å; H284-I288 WeakPolarHBondContact O-CG1 3.45Å; H284-I288 PolarHBondContact O-N 3.47Å; D285-I288 PolarHBondContact O-N 2.78Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 2.87Å; I288-Q291 PolarHBondContact O-N 3.4Å; I288-N292 VanDerWaalsContact O-CG 3.3Å; I288-N292 PolarHBondContact O-N 3.43Å; I288-N292 PolarHBondContact O-ND2 3.11Å
289	E	95.3	Very high	94.8	Very high	85 Å²	85	60.1 Å²	60.1	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-55.5	-49.9	176.6	-172.5	-169.1	169.7	0	0	111.1	D285 R286 Q291 N292 E293	D285-E289 PolarHBondContact O-N 3.33Å; R286-E289 WeakPolarHBondContact CD-OE2 3.44Å; R286-E289 IonicContact CZ-OE2 3.47Å; R286-E289 IonicContact NH1-OE1 3.45Å; R286-E289 PolarHBondContact NH1-OE1 2.9Å; R286-E289 IonicContact NH1-OE2 3.73Å; R286-E289 PolarHBondContact NH1-OE2 2.74Å; R286-E289 PolarHBondContact O-N 2.85Å; E289-Q291 PolarHBondContact O-N 3.17Å; E289-N292 PolarHBondContact O-N 3.04Å; E289-E293 PolarHBondContact O-N 3.43Å
290	L	94.7	Very high	94.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-44	179	-68.9	166.3	0	0	0	112.3	V52 V282 R286 F287 I288 N292 E293 T294 W297 Y303	V52-L290 HydrophobicContact CB-CD1 4.38Å; V52-L290 HydrophobicContact CG1-CD1 3.67Å; V52-L290 HydrophobicContact CG2-CD1 3.78Å; V52-L290 HydrophobicContact CG2-CD2 4.45Å; V282-L290 HydrophobicContact CG1-CD1 4.5Å; R286-L290 HydrophobicContact CG-CD1 4.07Å; R286-L290 WeakPolarHBondContact O-CD1 3.34Å; R286-L290 WeakPolarHBondContact O-CG 3.41Å; R286-L290 PolarHBondContact O-N 3.14Å; F287-L290 PolarHBondContact O-N 3.36Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 2.87Å; L290-N292 PolarHBondContact O-N 2.74Å; L290-E293 PolarHBondContact O-N 3.09Å; L290-T294 CarbonylContact O-C 3.44Å; L290-T294 PolarHBondContact O-N 3.4Å; L290-W297 HydrophobicContact CB-CB 4.31Å; L290-W297 HydrophobicContact CB-CD2 4.06Å; L290-W297 HydrophobicContact CB-CG 3.82Å; L290-W297 HydrophobicContact CD1-CD2 3.91Å; L290-W297 HydrophobicContact CD1-CE3 3.86Å; L290-W297 HydrophobicContact CD1-CG 4.49Å; L290-W297 HydrophobicContact CD1-CH2 4.36Å; L290-W297 HydrophobicContact CD1-CZ2 4.42Å; L290-W297 HydrophobicContact CD1-CZ3 4.09Å; L290-W297 HydrophobicContact CD2-CB 4.29Å; L290-W297 HydrophobicContact CD2-CG 4.42Å; L290-W297 HydrophobicContact CG-CD2 4.39Å; L290-W297 HydrophobicContact CG-CG 4.48Å; L290-Y303 HydrophobicContact CD2-CD1 3.65Å; L290-Y303 HydrophobicContact CD2-CE1 3.13Å; L290-Y303 HydrophobicContact CD2-CE2 4.37Å; L290-Y303 HydrophobicContact CD2-CG 4.44Å
291	Q	93.5	Very high	94.2	Very high	56 Å²	56	62.8 Å²	62.8	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-31.5	177.5	-73	-66.8	-25.2	0	0	112.7	F287 I288 E289	F287-Q291 HydrophobicContact CD1-CG 4.37Å; F287-Q291 HydrophobicContact CD2-CG 4.27Å; F287-Q291 HydrophobicContact CE1-CG 4.01Å; F287-Q291 HydrophobicContact CE2-CG 3.91Å; F287-Q291 VanDerWaalsContact CE2-NE2 3.27Å; F287-Q291 HydrophobicContact CG-CG 4.5Å; F287-Q291 HydrophobicContact CZ-CG 3.77Å; F287-Q291 WeakPolarHBondContact O-CB 3.33Å; F287-Q291 VanDerWaalsContact O-CG 3.28Å; F287-Q291 WeakPolarHBondContact O-CG 3.42Å; F287-Q291 PolarHBondContact O-N 3.47Å; I288-Q291 PolarHBondContact O-N 3.4Å; E289-Q291 PolarHBondContact O-N 3.17Å
292	N	94.9	Very high	93.9	Very high	134 Å²	134	67.9 Å²	67.9	72%	0.717	33%	0.334	S	S	*	.	H	α-helix	trans	-77.4	-33.7	175.4	-70.3	-30.8	0	0	0	112.6	I288 E289 L290	I288-N292 VanDerWaalsContact O-CG 3.3Å; I288-N292 PolarHBondContact O-N 3.43Å; I288-N292 PolarHBondContact O-ND2 3.11Å; E289-N292 PolarHBondContact O-N 3.04Å; L290-N292 PolarHBondContact O-N 2.74Å
293	E	92.3	Very high	93.7	Very high	98 Å²	98	68.7 Å²	68.7	46%	0.458	34%	0.336	S	S	.	.	H	α-helix	trans	-70	-51.5	173.9	-72.2	-172.6	162.6	0	0	111.6	E289 L290 Y303	E289-E293 PolarHBondContact O-N 3.43Å; L290-E293 PolarHBondContact O-N 3.09Å; E293-Y303 PolarHBondContact OE2-OH 3.25Å
294	T	92.3	Very high	93.6	Very high	52 Å²	52	64 Å²	64	32%	0.319	31%	0.311	S	S	.	.			trans	-165.2	132.7	176.5	176.1	0	0	0	0	111.5	L290 E296 W297	L290-T294 CarbonylContact O-C 3.44Å; L290-T294 PolarHBondContact O-N 3.4Å; T294-E296 PolarHBondContact O-N 2.84Å; T294-E296 PolarHBondContact OG1-N 2.84Å; T294-W297 HydrophobicContact CG2-CB 3.93Å; T294-W297 PolarHBondContact O-N 3.03Å
295	K	92.5	Very high	93.6	Very high	154 Å²	154	59.3 Å²	59.3	67%	0.67	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.7	174.8	-63.5	-173.8	178.7	-178.4	0	113.3
296	E	93	Very high	93.6	Very high	108 Å²	108	53.6 Å²	53.6	51%	0.505	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	14	-178.3	-61.3	-55.6	137.4	0	0	112.9	T294 W298 T299 T300	T294-E296 PolarHBondContact O-N 2.84Å; T294-E296 PolarHBondContact OG1-N 2.84Å; E296-W298 PolarHBondContact O-N 3.14Å; E296-W298 VanDerWaalsContact O-N 3.09Å; E296-T299 WeakPolarHBondContact CB-OG1 3.34Å; E296-T299 PolarHBondContact O-N 3.29Å; E296-T299 PolarHBondContact O-OG1 2.87Å; E296-T299 PolarHBondContact OE2-OG1 3.48Å; E296-T300 HydrophobicContact CB-CG2 4.16Å; E296-T300 WeakPolarHBondContact O-CG2 3.42Å; E296-T300 PolarHBondContact O-N 3.48Å
297	W	93.7	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.2	-174.4	66.3	-89.7	0	0	0	112.6	V52 V282 F287 L290 T294 T299 T300 Y303 F305	V52-W297 HydrophobicContact CB-CZ3 4.31Å; V52-W297 HydrophobicContact CG1-CH2 4.14Å; V52-W297 HydrophobicContact CG1-CZ3 3.9Å; V52-W297 HydrophobicContact CG2-CE3 4.19Å; V52-W297 HydrophobicContact CG2-CZ3 3.92Å; V282-W297 HydrophobicContact CG2-CH2 4.03Å; F287-W297 HydrophobicContact CD2-CZ2 4.13Å; F287-W297 HydrophobicContact CE2-CZ2 4.25Å; L290-W297 HydrophobicContact CB-CB 4.31Å; L290-W297 HydrophobicContact CB-CD2 4.06Å; L290-W297 HydrophobicContact CB-CG 3.82Å; L290-W297 HydrophobicContact CD1-CD2 3.91Å; L290-W297 HydrophobicContact CD1-CE3 3.86Å; L290-W297 HydrophobicContact CD1-CG 4.49Å; L290-W297 HydrophobicContact CD1-CH2 4.36Å; L290-W297 HydrophobicContact CD1-CZ2 4.42Å; L290-W297 HydrophobicContact CD1-CZ3 4.09Å; L290-W297 HydrophobicContact CD2-CB 4.29Å; L290-W297 HydrophobicContact CD2-CG 4.42Å; L290-W297 HydrophobicContact CG-CD2 4.39Å; L290-W297 HydrophobicContact CG-CG 4.48Å; T294-W297 HydrophobicContact CG2-CB 3.93Å; T294-W297 PolarHBondContact O-N 3.03Å; W297-T299 PolarHBondContact O-N 2.98Å; W297-T300 PolarHBondContact O-OG1 3.02Å; W297-T300 VanDerWaalsContact O-OG1 3.07Å; W297-Y303 HydrophobicContact CB-CD2 3.91Å; W297-Y303 HydrophobicContact CB-CE2 3.62Å; W297-Y303 HydrophobicContact CE3-CD2 4.48Å; W297-Y303 HydrophobicContact CE3-CG 4.32Å; W297-Y303 WeakPolarHBondContact O-CD2 3.45Å; W297-F305 AromaticContact CH2-CZ 3.93Å; W297-F305 HydrophobicContact CH2-CZ 3.93Å; W297-F305 HydrophobicContact CZ3-CE2 4.04Å; W297-F305 AromaticContact CZ3-CZ 3.85Å; W297-F305 HydrophobicContact CZ3-CZ 3.85Å
298	W	93.8	Very high	93.7	Very high	43 Å²	43	50.2 Å²	50.2	16%	0.163	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.9	-179.6	54.7	2.9	0	0	0	116.4	P223 A274 K275 S276 D277 E296	P223-W298 HydrophobicContact CG-CE3 4.01Å; P223-W298 HydrophobicContact CG-CH2 4.1Å; P223-W298 HydrophobicContact CG-CZ3 3.4Å; P223-W298 VanDerWaalsContact CG-CZ3 3.4Å; A274-W298 CarbonylContact C-O 3.58Å; A274-W298 HydrophobicContact CB-CB 4.3Å; A274-W298 WeakPolarHBondContact CB-O 3.31Å; K275-W298 CarbonylContact C-O 3.59Å; K275-W298 PolarHBondContact N-O 3.4Å; K275-W298 VanDerWaalsContact N-O 3.15Å; S276-W298 CarbonylContact C-O 3.49Å; S276-W298 PolarHBondContact N-O 3.29Å; D277-W298 HydrophobicContact CB-CH2 4.45Å; D277-W298 HydrophobicContact CB-CZ2 3.94Å; D277-W298 WeakPolarHBondContact O-CH2 3.24Å; D277-W298 WeakPolarHBondContact O-CZ3 3.42Å; E296-W298 PolarHBondContact O-N 3.14Å; E296-W298 VanDerWaalsContact O-N 3.09Å
299	T	93.5	Very high	93.8	Very high	46 Å²	46	46.8 Å²	46.8	28%	0.282	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-11.2	179.3	51.2	0	0	0	0	112.8	D277 E296 W297	D277-T299 HydrophobicContact CB-CG2 4.33Å; E296-T299 WeakPolarHBondContact CB-OG1 3.34Å; E296-T299 PolarHBondContact O-N 3.29Å; E296-T299 PolarHBondContact O-OG1 2.87Å; E296-T299 PolarHBondContact OE2-OG1 3.48Å; W297-T299 PolarHBondContact O-N 2.98Å
300	T	90.3	Very high	93.8	Very high	50 Å²	50	42.8 Å²	42.8	31%	0.307	21%	0.209	S	C	.	.	S	Bend	trans	-84.6	-9.9	-172.2	57.4	0	0	0	0	115.9	E296 W297 K302	E296-T300 HydrophobicContact CB-CG2 4.16Å; E296-T300 WeakPolarHBondContact O-CG2 3.42Å; E296-T300 PolarHBondContact O-N 3.48Å; W297-T300 PolarHBondContact O-OG1 3.02Å; W297-T300 VanDerWaalsContact O-OG1 3.07Å; T300-K302 PolarHBondContact O-N 3.21Å
301	G	90.1	Very high	93.7	Very high	5 Å²	5	43 Å²	43	5%	0.052	21%	0.21	C	C	.	.	S	Bend	trans	72.8	7	-172.9	0	0	0	0	0	115	V273 A274	V273-G301 WeakPolarHBondContact CG1-O 3.35Å; A274-G301 WeakPolarHBondContact O-CA 3.48Å; A274-G301 PolarHBondContact O-N 2.8Å
302	K	89.2	Confident	93.7	Very high	127 Å²	127	40.8 Å²	40.8	55%	0.552	20%	0.2	S	C	*	.			trans	-89.9	-11.6	-176.6	-69	-176.9	178.2	178.9	0	114.6	Q50 T300	Q50-K302 WeakPolarHBondContact CB-O 3.44Å; Q50-K302 VanDerWaalsContact CD-O 3.27Å; Q50-K302 WeakPolarHBondContact CG-O 2.91Å; Q50-K302 PolarHBondContact NE2-O 3.05Å; T300-K302 PolarHBondContact O-N 3.21Å
303	Y	93.4	Very high	93.6	Very high	23 Å²	23	34.8 Å²	34.8	9%	0.09	17%	0.168	C	C	.	.			trans	-124.9	146.3	-170.4	-66.1	-87.5	0	0	0	110.6	Q50 V52 V273 A274 L290 E293 W297	Q50-Y303 WeakPolarHBondContact O-CA 3.48Å; V52-Y303 HydrophobicContact CG2-CD1 3.69Å; V52-Y303 HydrophobicContact CG2-CG 4.02Å; V273-Y303 CarbonylContact C-O 3.5Å; V273-Y303 WeakPolarHBondContact CA-O 3.24Å; A274-Y303 PolarHBondContact N-O 3.18Å; L290-Y303 HydrophobicContact CD2-CD1 3.65Å; L290-Y303 HydrophobicContact CD2-CE1 3.13Å; L290-Y303 HydrophobicContact CD2-CE2 4.37Å; L290-Y303 HydrophobicContact CD2-CG 4.44Å; E293-Y303 PolarHBondContact OE2-OH 3.25Å; W297-Y303 HydrophobicContact CB-CD2 3.91Å; W297-Y303 HydrophobicContact CB-CE2 3.62Å; W297-Y303 HydrophobicContact CE3-CD2 4.48Å; W297-Y303 HydrophobicContact CE3-CG 4.32Å; W297-Y303 WeakPolarHBondContact O-CD2 3.45Å
304	G	93.7	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.7	-169.8	0	0	0	0	0	113.6	Q50 L51 V52 R272	Q50-G304 PolarHBondContact O-N 2.89Å; L51-G304 CarbonylContact C-O 3.52Å; L51-G304 WeakPolarHBondContact CA-O 3.29Å; V52-G304 PolarHBondContact N-O 3.06Å; R272-G304 CarbonylContact O-C 3.59Å; R272-G304 WeakPolarHBondContact O-CA 3.34Å
305	F	96	Very high	92.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.8	175.1	-67.8	-108.9	0	0	0	108.9	V52 V53 L271 R272 A274 V282 W297	V52-F305 HydrophobicContact CB-CE2 4.32Å; V52-F305 HydrophobicContact CB-CZ 4.16Å; V52-F305 HydrophobicContact CG1-CE1 4.36Å; V52-F305 HydrophobicContact CG1-CZ 4.07Å; V53-F305 HydrophobicContact CB-CD1 3.71Å; V53-F305 HydrophobicContact CB-CE1 4.24Å; V53-F305 HydrophobicContact CG2-CD1 3.6Å; V53-F305 HydrophobicContact CG2-CE1 3.6Å; L271-F305 WeakPolarHBondContact CA-O 3.3Å; R272-F305 HydrophobicContact CB-CB 4.28Å; R272-F305 PolarHBondContact N-O 2.72Å; R272-F305 PolarHBondContact O-N 3.37Å; A274-F305 HydrophobicContact CB-CD2 4.4Å; A274-F305 HydrophobicContact CB-CE2 3.93Å; V282-F305 HydrophobicContact CG2-CE1 4.04Å; V282-F305 HydrophobicContact CG2-CZ 4.22Å; W297-F305 AromaticContact CH2-CZ 3.93Å; W297-F305 HydrophobicContact CH2-CZ 3.93Å; W297-F305 HydrophobicContact CZ3-CE2 4.04Å; W297-F305 AromaticContact CZ3-CZ 3.85Å; W297-F305 HydrophobicContact CZ3-CZ 3.85Å
306	I	96.1	Very high	90.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	106.2	155.8	-58.4	178.5	0	0	0	104.9	K14 L17 L51 V53 D55 L271	K14-I306 HydrophobicContact CG-CD1 4.3Å; L17-I306 HydrophobicContact CD2-CD1 4.24Å; L17-I306 HydrophobicContact CD2-CG1 3.72Å; L51-I306 HydrophobicContact CD1-CD1 4.23Å; L51-I306 HydrophobicContact CD2-CD1 4.3Å; L51-I306 HydrophobicContact CD2-CG1 3.99Å; V53-I306 PolarHBondContact O-N 3.16Å; D55-I306 PolarHBondContact N-O 3.1Å; L271-I306 HydrophobicContact CD2-CB 4.26Å; L271-I306 HydrophobicContact CD2-CG1 3.97Å; L271-I306 HydrophobicContact CD2-CG2 3.96Å
307	Q	96.8	Very high	88.4	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.2	-169.1	-162.6	166	37.6	0	0	111.6	V53 D55 Y212 F233 V269 A270 V280 V309	V53-Q307 HydrophobicContact CG1-CB 4.26Å; V53-Q307 HydrophobicContact CG1-CG 3.95Å; D55-Q307 WeakPolarHBondContact OD2-CA 3.47Å; Y212-Q307 VanDerWaalsContact CE2-OE1 3.26Å; Y212-Q307 PolarHBondContact OH-OE1 3.32Å; F233-Q307 HydrophobicContact CE2-CG 4.11Å; F233-Q307 VanDerWaalsContact CZ-CD 3.44Å; F233-Q307 HydrophobicContact CZ-CG 3.8Å; V269-Q307 CarbonylContact C-O 3.48Å; V269-Q307 WeakPolarHBondContact CA-O 3.46Å; A270-Q307 PolarHBondContact N-O 3.02Å; A270-Q307 PolarHBondContact O-N 3.06Å; V280-Q307 PolarHBondContact O-NE2 3.27Å; Q307-V309 PolarHBondContact O-N 3.45Å
308	I	97.1	Very high	88.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.7	170.9	-64.6	168.5	0	0	0	107.5	D55 A58 L59 F233 P258 M267 V269	D55-I308 HydrophobicContact CB-CB 4.32Å; D55-I308 HydrophobicContact CB-CD1 3.96Å; D55-I308 HydrophobicContact CB-CG1 3.84Å; D55-I308 PolarHBondContact OD2-N 3.04Å; A58-I308 HydrophobicContact CB-CD1 3.6Å; L59-I308 HydrophobicContact CB-CD1 4.45Å; F233-I308 WeakPolarHBondContact CE2-O 3.2Å; P258-I308 HydrophobicContact CB-CB 3.88Å; P258-I308 HydrophobicContact CB-CD1 3.59Å; P258-I308 HydrophobicContact CB-CG1 4.31Å; P258-I308 HydrophobicContact CB-CG2 3.93Å; P258-I308 HydrophobicContact CG-CB 3.96Å; P258-I308 HydrophobicContact CG-CD1 4.01Å; P258-I308 HydrophobicContact CG-CG1 4.47Å; P258-I308 HydrophobicContact CG-CG2 4.49Å; M267-I308 HydrophobicContact CE-CD1 4.09Å; M267-I308 HydrophobicContact CG-CG2 4.15Å; M267-I308 HydrophobicContact SD-CD1 3.92Å; M267-I308 HydrophobicContact SD-CG1 4.16Å; M267-I308 HydrophobicContact SD-CG2 4.47Å; V269-I308 HydrophobicContact CG2-CG1 4.15Å
309	V	97	Very high	87.8	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-42.2	-179.1	179.3	0	0	0	0	110.7	L215 F233 V268 A270 Q307	L215-V309 HydrophobicContact CD1-CG2 4.19Å; L215-V309 HydrophobicContact CD2-CG1 4.44Å; F233-V309 HydrophobicContact CB-CG1 4.18Å; F233-V309 WeakPolarHBondContact CB-O 3.33Å; F233-V309 HydrophobicContact CD1-CB 4.47Å; F233-V309 HydrophobicContact CD1-CG1 3.74Å; F233-V309 HydrophobicContact CD2-CG1 4.39Å; F233-V309 WeakPolarHBondContact CD2-O 3.47Å; F233-V309 HydrophobicContact CE1-CG1 4.18Å; F233-V309 HydrophobicContact CE1-CG2 4.21Å; F233-V309 HydrophobicContact CG-CB 4.48Å; F233-V309 HydrophobicContact CG-CG1 3.86Å; F233-V309 HydrophobicContact CZ-CG2 4.27Å; V268-V309 HydrophobicContact CB-CB 4.3Å; V268-V309 HydrophobicContact CG1-CB 3.98Å; V268-V309 HydrophobicContact CG1-CG2 4.44Å; V268-V309 PolarHBondContact O-N 3.1Å; A270-V309 HydrophobicContact CB-CG2 4.3Å; Q307-V309 PolarHBondContact O-N 3.45Å
310	S	95.3	Very high	87.5	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.8	176.5	178.2	0	0	0	0	109.9	Q237 R240 M267 V268	Q237-S310 PolarHBondContact OE1-OG 2.61Å; R240-S310 PolarHBondContact NE-OG 3.19Å; M267-S310 CarbonylContact C-O 3.51Å; M267-S310 WeakPolarHBondContact CA-O 3.23Å; V268-S310 PolarHBondContact N-O 2.67Å; V268-S310 PolarHBondContact O-N 3.17Å
311	P	94.1	Very high	87.4	Confident	4 Å²	4	23.9 Å²	23.9	3%	0.026	15%	0.149	C	C	.	.	S	Bend	cis	-82.9	144.9	-3.6	20	-9.3	0	0	0	112.3	I259 C262	I259-P311 HydrophobicContact CB-CB 4.11Å; I259-P311 HydrophobicContact CB-CG 4.1Å; I259-P311 HydrophobicContact CD1-CB 4.35Å; I259-P311 HydrophobicContact CG1-CB 4.47Å; I259-P311 PolarHBondContact N-O 3.41Å; I259-P311 WeakPolarHBondContact O-CG 3.49Å; C262-P311 HydrophobicContact CB-CB 4.18Å; C262-P311 HydrophobicContact CB-CG 3.44Å; C262-P311 VanDerWaalsContact CB-CG 3.44Å
312	I	93.2	Very high	87.2	Confident	10 Å²	10	25.1 Å²	25.1	5%	0.051	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-123.2	156.3	170.1	56.5	153.9	0	0	0	110.5	I230 F233 D257 S314	I230-I312 HydrophobicContact CG1-CD1 4.37Å; F233-I312 HydrophobicContact CB-CD1 3.78Å; F233-I312 HydrophobicContact CB-CG1 4.36Å; F233-I312 HydrophobicContact CD2-CD1 3.93Å; F233-I312 HydrophobicContact CD2-CG1 4.49Å; F233-I312 HydrophobicContact CD2-CG2 4.13Å; F233-I312 HydrophobicContact CG-CD1 4.36Å; D257-I312 CarbonylContact O-C 3.58Å; D257-I312 VanDerWaalsContact O-CA 3.24Å; D257-I312 WeakPolarHBondContact O-CA 3.21Å; I312-S314 PolarHBondContact O-N 3.13Å
313	V	91.5	Very high	87	Confident	7 Å²	7	18.3 Å²	18.3	4%	0.042	13%	0.128	C	C	.	.			trans	-67.4	129	171.6	178.3	0	0	0	0	109.4	L250 P253 K254 L255 G256 D257 I259	L250-V313 HydrophobicContact CD1-CG2 3.8Å; P253-V313 HydrophobicContact CB-CG1 3.84Å; P253-V313 HydrophobicContact CB-CG2 3.95Å; K254-V313 WeakPolarHBondContact O-CB 3.09Å; K254-V313 WeakPolarHBondContact O-CG1 3.41Å; L255-V313 HydrophobicContact CD2-CG1 4.35Å; G256-V313 PolarHBondContact N-O 2.82Å; D257-V313 HydrophobicContact CB-CG2 4.36Å; D257-V313 PolarHBondContact O-N 3.3Å; I259-V313 HydrophobicContact CD1-CG2 4.15Å; I259-V313 HydrophobicContact CG1-CG2 3.88Å
314	S	85.5	Confident	86.6	Confident	11 Å²	11	18 Å²	18	8%	0.077	13%	0.131	C	C	.	.			trans	-137.9	158.1	176.4	57.4	0	0	0	0	111.3	H234 I312 A316 S317	H234-S314 PolarHBondContact CE1-OG 3.05Å; H234-S314 VanDerWaalsContact CE1-OG 3.25Å; H234-S314 WeakPolarHBondContact NE2-CB 3.35Å; H234-S314 PolarHBondContact NE2-OG 3.15Å; I312-S314 PolarHBondContact O-N 3.13Å; S314-A316 PolarHBondContact O-N 3.3Å; S314-A316 VanDerWaalsContact O-N 3.13Å; S314-S317 PolarHBondContact O-N 3.07Å; S314-S317 PolarHBondContact O-OG 2.67Å
315	S	71.9	Confident	86.1	Confident	111 Å²	111	19.4 Å²	19.4	78%	0.776	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18	179.7	52.4	0	0	0	0	113.8
316	A	56.3	Low	85.2	Confident	78 Å²	78	21 Å²	21	65%	0.645	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	5.7	179.4	0	0	0	0	0	114.6	S314	S314-A316 PolarHBondContact O-N 3.3Å; S314-A316 VanDerWaalsContact O-N 3.13Å
317	S	47.8	Very low	84.2	Confident	28 Å²	28	22.8 Å²	22.8	20%	0.196	17%	0.166	C	C	.	.			trans	-96.7	0	-175.6	60.5	0	0	0	0	115.6	T245 S247 K248 S314	T245-S317 VanDerWaalsContact CA-OXT 3.31Å; T245-S317 WeakPolarHBondContact CA-OXT 3.31Å; S247-S317 VanDerWaalsContact CB-OG 3.23Å; S247-S317 WeakPolarHBondContact CB-OG 3.08Å; S247-S317 WeakPolarHBondContact OG-CB 3.36Å; S247-S317 PolarHBondContact OG-OG 2.89Å; K248-S317 PolarHBondContact NZ-O 3.23Å; K248-S317 PolarHBondContact NZ-OXT 3.21Å; S314-S317 PolarHBondContact O-N 3.07Å; S314-S317 PolarHBondContact O-OG 2.67Å

Retrieved 317 of 317 residues in 163.2 ms (Link to these results)

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