A0A077Z9J5_TRITR Loading...

Methyltransferase HEMK2

Methyltransferase that can methylate proteins and, to a lower extent, arsenic. Catalytic subunit of a heterodimer with TRMT112, which monomethylates 'Lys-12' of histone H4 (H4K12me1), a modification present at the promoters of numerous genes encoding cell cycle regulators. Catalytic subunit of a heterodimer with TRMT112, which catalyzes N5-methylation of Glu residue of proteins with a Gly-Gln-Xaa-Xaa-Xaa-Arg motif. Methylates ETF1 on 'Gln-185'; ETF1 needs to be complexed to ERF3 in its GTP-bound form to be efficiently methylated. May also play a role in the modulation of arsenic-induced toxicity by mediating the conversion of monomethylarsonous acid (3+) into the less toxic dimethylarsonic acid. It however only plays a limited role in arsenic metabolism compared with AS3MT.

AlphaFold DB , UniProt , Accession A0A077Z9J5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 493 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	61.2	Low	194 Å²	194	62.7 Å²	62.7	96%	0.956	37%	0.372	S	S	*	.				0	121.3	0	-78.1	-177.1	-174.7	0	0	105.5
2	I	46.5	Very low	63.2	Low	79 Å²	79	59.2 Å²	59.2	41%	0.405	35%	0.35	S	S	.	.			trans	-73.2	134.4	174.5	-52.2	-175.2	0	0	0	106.6	G6 E8	I2-G6 VanDerWaalsContact CG2-C 3.41Å; I2-G6 WeakPolarHBondContact CG2-O 3.45Å; I2-E8 WeakPolarHBondContact CD1-OE1 3.37Å; I2-E8 HydrophobicContact CG1-CG 4.12Å; I2-E8 WeakPolarHBondContact CG1-OE1 3.37Å; I2-E8 HydrophobicContact CG2-CG 4.35Å
3	S	54.4	Low	65.1	Low	36 Å²	36	60.3 Å²	60.3	25%	0.252	36%	0.358	S	S	.	.			trans	-65.3	167.9	174.4	69.6	0	0	0	0	110.5	S5 G6 F7 E37	S3-S5 PolarHBondContact O-N 2.89Å; S3-S5 VanDerWaalsContact O-N 3.14Å; S3-S5 PolarHBondContact OG-OG 3.02Å; S3-G6 PolarHBondContact O-N 3.16Å; S3-F7 PolarHBondContact OG-N 2.85Å; S3-F7 PolarHBondContact OG-O 3.48Å; S3-F7 VanDerWaalsContact OG-O 3.07Å; S3-E37 WeakPolarHBondContact CB-OE1 3.25Å; S3-E37 PolarHBondContact OG-OE1 2.87Å
4	A	53.2	Low	66.7	Low	119 Å²	119	58.9 Å²	58.9	98%	0.983	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.5	178.6	0	0	0	0	0	112.6	G6	A4-G6 VanDerWaalsContact C-N 3.29Å
5	S	56.7	Low	68.1	Low	27 Å²	27	55.4 Å²	55.4	19%	0.189	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.7	176.5	63.6	0	0	0	0	113.2	S3 F7 E37	S3-S5 PolarHBondContact O-N 2.89Å; S3-S5 VanDerWaalsContact O-N 3.14Å; S3-S5 PolarHBondContact OG-OG 3.02Å; S5-F7 PolarHBondContact OG-N 3.24Å; S5-E37 WeakPolarHBondContact OG-CG 3.47Å
6	G	68.2	Low	68.6	Low	17 Å²	17	62 Å²	62	18%	0.175	36%	0.356	C	S	.	.	S	Bend	trans	90.4	-1	-173.2	0	0	0	0	0	114.3	I2 S3 A4	I2-G6 VanDerWaalsContact CG2-C 3.41Å; I2-G6 WeakPolarHBondContact CG2-O 3.45Å; S3-G6 PolarHBondContact O-N 3.16Å; A4-G6 VanDerWaalsContact C-N 3.29Å
7	F	75.8	Confident	68.5	Low	2 Å²	2	66.3 Å²	66.3	1%	0.009	38%	0.378	C	S	.	.			trans	-87.8	135.1	-177.3	-162.3	-118	0	0	0	111	S3 S5 I9 L33 L36 E37 W40 L65 S68	S3-F7 PolarHBondContact OG-N 2.85Å; S3-F7 PolarHBondContact OG-O 3.48Å; S3-F7 VanDerWaalsContact OG-O 3.07Å; S5-F7 PolarHBondContact OG-N 3.24Å; F7-I9 HydrophobicContact CD1-CD1 3.63Å; F7-I9 HydrophobicContact CD1-CG1 3.32Å; F7-I9 HydrophobicContact CE1-CD1 3.86Å; F7-I9 HydrophobicContact CE1-CG1 3.41Å; F7-I9 VanDerWaalsContact CE1-CG1 3.41Å; F7-L33 HydrophobicContact CE1-CB 4.49Å; F7-L33 HydrophobicContact CE1-CD2 3.95Å; F7-L33 VanDerWaalsContact CE1-O 3.3Å; F7-L33 WeakPolarHBondContact CE1-O 3.49Å; F7-L33 HydrophobicContact CZ-CD2 4.01Å; F7-L36 HydrophobicContact CE1-CB 4.03Å; F7-L36 HydrophobicContact CE2-CB 4.28Å; F7-L36 HydrophobicContact CZ-CB 3.67Å; F7-L36 HydrophobicContact CZ-CD1 4.23Å; F7-E37 HydrophobicContact CB-CB 4.27Å; F7-E37 HydrophobicContact CB-CG 3.97Å; F7-E37 HydrophobicContact CD1-CB 3.55Å; F7-E37 HydrophobicContact CD1-CG 4.08Å; F7-E37 HydrophobicContact CE1-CB 4.24Å; F7-E37 HydrophobicContact CG-CB 4.2Å; F7-E37 HydrophobicContact CG-CG 4.43Å; F7-W40 HydrophobicContact CB-CB 4.01Å; F7-W40 HydrophobicContact CB-CD2 4.36Å; F7-W40 HydrophobicContact CB-CG 3.74Å; F7-W40 HydrophobicContact CD2-CB 4.23Å; F7-W40 AromaticContact CD2-CD1 3.97Å; F7-W40 AromaticContact CD2-CD2 3.26Å; F7-W40 HydrophobicContact CD2-CD2 3.26Å; F7-W40 AromaticContact CD2-CE2 3.59Å; F7-W40 AromaticContact CD2-CE3 3.49Å; F7-W40 HydrophobicContact CD2-CE3 3.49Å; F7-W40 VanDerWaalsContact CD2-CE3 3.49Å; F7-W40 AromaticContact CD2-CG 3.58Å; F7-W40 HydrophobicContact CD2-CG 3.58Å; F7-W40 HydrophobicContact CD2-CH2 4.29Å; F7-W40 HydrophobicContact CD2-CZ2 4.12Å; F7-W40 AromaticContact CD2-CZ3 4Å; F7-W40 HydrophobicContact CD2-CZ3 4Å; F7-W40 AromaticContact CD2-NE1 3.95Å; F7-W40 AromaticContact CE2-CD2 3.86Å; F7-W40 HydrophobicContact CE2-CD2 3.86Å; F7-W40 AromaticContact CE2-CE3 3.56Å; F7-W40 HydrophobicContact CE2-CE3 3.56Å; F7-W40 HydrophobicContact CE2-CH2 4.15Å; F7-W40 HydrophobicContact CE2-CZ2 4.42Å; F7-W40 AromaticContact CE2-CZ3 3.71Å; F7-W40 HydrophobicContact CE2-CZ3 3.71Å; F7-W40 HydrophobicContact CG-CB 4.3Å; F7-W40 HydrophobicContact CG-CD2 4.15Å; F7-W40 AromaticContact CG-CG 3.98Å; F7-W40 HydrophobicContact CG-CG 3.98Å; F7-L65 HydrophobicContact CE2-CD2 4.14Å; F7-L65 HydrophobicContact CZ-CD2 4.4Å; F7-S68 VanDerWaalsContact CD2-CB 3.44Å; F7-S68 WeakPolarHBondContact CD2-OG 3.5Å; F7-S68 WeakPolarHBondContact CE2-OG 3.27Å
8	E	74.6	Confident	68.2	Low	32 Å²	32	66.1 Å²	66.1	15%	0.15	37%	0.372	C	S	.	.			trans	-106.7	89.4	-177.1	-69.4	-164.6	-164.1	0	0	111.5	I2 S64 R67 S68	I2-E8 WeakPolarHBondContact CD1-OE1 3.37Å; I2-E8 HydrophobicContact CG1-CG 4.12Å; I2-E8 WeakPolarHBondContact CG1-OE1 3.37Å; I2-E8 HydrophobicContact CG2-CG 4.35Å; E8-S64 WeakPolarHBondContact O-CA 3.4Å; E8-S64 WeakPolarHBondContact O-CB 3.39Å; E8-R67 HydrophobicContact CB-CB 3.93Å; E8-R67 IonicContact OE2-CZ 3.2Å; E8-R67 IonicContact OE2-NE 3.46Å; E8-R67 PolarHBondContact OE2-NE 2.72Å; E8-R67 IonicContact OE2-NH2 3.58Å; E8-R67 PolarHBondContact OE2-NH2 2.96Å; E8-S68 PolarHBondContact N-OG 3.24Å
9	I	68.3	Low	67.9	Low	13 Å²	13	66.1 Å²	66.1	7%	0.067	38%	0.377	C	S	.	.			trans	-87.7	-27.3	173.5	-61.7	169.3	0	0	0	111.8	F7 L33 E37 M433	F7-I9 HydrophobicContact CD1-CD1 3.63Å; F7-I9 HydrophobicContact CD1-CG1 3.32Å; F7-I9 HydrophobicContact CE1-CD1 3.86Å; F7-I9 HydrophobicContact CE1-CG1 3.41Å; F7-I9 VanDerWaalsContact CE1-CG1 3.41Å; I9-L33 HydrophobicContact CD1-CB 4.14Å; I9-L33 HydrophobicContact CG1-CB 4.12Å; I9-L33 HydrophobicContact CG2-CB 4.24Å; I9-L33 HydrophobicContact CG2-CD1 4.07Å; I9-E37 HydrophobicContact CD1-CB 3.79Å; I9-E37 HydrophobicContact CD1-CG 4.24Å; I9-E37 WeakPolarHBondContact CD1-OE2 3.18Å; I9-M433 HydrophobicContact CG2-CE 3.78Å
10	L	64.7	Low	68.1	Low	54 Å²	54	70 Å²	70	28%	0.283	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	143.6	-165.9	-63.6	175.2	0	0	0	113.2
11	N	74.5	Confident	68.7	Low	117 Å²	117	70 Å²	70	63%	0.626	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	29.4	175.9	-41	-72.1	0	0	0	115
12	I	84.3	Confident	71.1	Confident	20 Å²	20	61 Å²	61	10%	0.103	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-77.2	121.7	164.8	-51.6	-58	0	0	0	108.3	I60 C63 S64 R67 N95	I12-I60 HydrophobicContact CB-CD1 3.51Å; I12-I60 HydrophobicContact CB-CG1 4.46Å; I12-I60 HydrophobicContact CG1-CD1 4.3Å; I12-I60 HydrophobicContact CG2-CD1 3.6Å; I12-I60 HydrophobicContact CG2-CG1 4.43Å; I12-C63 HydrophobicContact CD1-CB 4.03Å; I12-C63 HydrophobicContact CG1-CB 4.48Å; I12-C63 HydrophobicContact CG2-CB 3.65Å; I12-S64 WeakPolarHBondContact CG1-OG 3.33Å; I12-R67 VanDerWaalsContact CD1-CD 3.41Å; I12-R67 HydrophobicContact CD1-CG 4.43Å; I12-N95 WeakPolarHBondContact CA-OD1 3.46Å; I12-N95 WeakPolarHBondContact CG2-ND2 3.22Å
13	T	87.8	Confident	72.8	Confident	74 Å²	74	60.8 Å²	60.8	45%	0.454	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-97.7	121.9	177.7	-59	0	0	0	0	109.5	V94 N95	T13-V94 HydrophobicContact CG2-CG1 3.99Å; T13-N95 PolarHBondContact N-ND2 2.97Å; T13-N95 PolarHBondContact N-OD1 2.9Å; T13-N95 PolarHBondContact O-ND2 3.42Å
14	V	88.2	Confident	74.3	Confident	40 Å²	40	62.7 Å²	62.7	24%	0.242	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-74.9	136.7	172.3	-177.6	0	0	0	0	108.9	Q16 P25 V87	V14-Q16 PolarHBondContact O-N 3.02Å; V14-P25 HydrophobicContact CG2-CG 3.61Å; V14-V87 HydrophobicContact CG1-CG1 4.27Å
15	A	86.8	Confident	75.9	Confident	7 Å²	7	58.2 Å²	58.2	6%	0.058	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-60.9	130.9	175.6	0	0	0	0	0	111.3	K90 S91	A15-K90 HydrophobicContact CB-CB 3.52Å; A15-S91 PolarHBondContact N-OG 2.81Å; A15-S91 VanDerWaalsContact N-OG 3.09Å
16	Q	76.2	Confident	77.2	Confident	161 Å²	161	57.9 Å²	57.9	75%	0.752	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-79.3	-25.7	-171.2	-68.7	-176.4	-9.8	0	0	114	V14 F18 S19	V14-Q16 PolarHBondContact O-N 3.02Å; Q16-F18 PolarHBondContact O-N 3.04Å; Q16-S19 PolarHBondContact O-N 3.12Å
17	D	66.9	Low	77.8	Confident	135 Å²	135	58.7 Å²	58.7	72%	0.722	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-61	-11.6	-169.9	-63	-26.1	0	0	0	114.6
18	F	62.9	Low	78.3	Confident	63 Å²	63	59 Å²	59	28%	0.276	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-139.6	16	-174.6	-56.4	-80.6	0	0	0	113.3	Q16 D20 S21 V22 V83 L86 V87	Q16-F18 PolarHBondContact O-N 3.04Å; F18-D20 PolarHBondContact O-N 3.02Å; F18-S21 PolarHBondContact O-N 3.46Å; F18-V22 PolarHBondContact O-N 3.39Å; F18-V83 HydrophobicContact CB-CG1 4.36Å; F18-V83 HydrophobicContact CD1-CG1 4.05Å; F18-V83 HydrophobicContact CG-CG1 4.4Å; F18-L86 HydrophobicContact CE1-CD2 4.26Å; F18-L86 HydrophobicContact CE2-CD2 4.08Å; F18-L86 HydrophobicContact CE2-CG 4.33Å; F18-L86 HydrophobicContact CZ-CD2 3.66Å; F18-L86 HydrophobicContact CZ-CG 4.4Å; F18-V87 HydrophobicContact CB-CG2 3.28Å; F18-V87 HydrophobicContact CD2-CG2 3.72Å; F18-V87 HydrophobicContact CG-CG2 3.68Å
19	S	62.6	Low	79	Confident	65 Å²	65	58 Å²	58	46%	0.455	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.8	-170.2	58.7	0	0	0	0	113.9	Q16	Q16-S19 PolarHBondContact O-N 3.12Å
20	D	73	Confident	79.8	Confident	145 Å²	145	59.2 Å²	59.2	78%	0.775	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.2	-175.7	-57.9	-10.6	0	0	0	112.6	F18	F18-D20 PolarHBondContact O-N 3.02Å
21	S	80.9	Confident	80.8	Confident	69 Å²	69	58.3 Å²	58.3	48%	0.483	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-8.6	-177.5	-59	0	0	0	0	113.9	F18 L142	F18-S21 PolarHBondContact O-N 3.46Å; S21-L142 VanDerWaalsContact O-CD2 3.32Å; S21-L142 WeakPolarHBondContact O-CD2 3.34Å
22	V	85.7	Confident	81.6	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.036	29%	0.29	C	S	.	.	S	Bend	trans	-124.2	140	-178.7	178	0	0	0	0	108.8	F18 P24 G57 V83 V87	F18-V22 PolarHBondContact O-N 3.39Å; V22-P24 WeakPolarHBondContact O-CD 3.38Å; V22-G57 VanDerWaalsContact CG1-C 3.48Å; V22-V83 HydrophobicContact CG2-CG1 4.03Å; V22-V87 HydrophobicContact CG2-CB 4.19Å; V22-V87 HydrophobicContact CG2-CG2 3.66Å
23	Y	82.6	Confident	81.8	Confident	74 Å²	74	52 Å²	52	29%	0.29	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-58.6	121.4	177	-174.5	-111.3	0	0	0	110.2	S26	Y23-S26 WeakPolarHBondContact CE1-OG 3.25Å; Y23-S26 VanDerWaalsContact CZ-OG 3.31Å; Y23-S26 PolarHBondContact OH-OG 2.97Å; Y23-S26 VanDerWaalsContact OH-OG 3.08Å
24	P	85.7	Confident	81.5	Confident	77 Å²	77	49.4 Å²	49.4	50%	0.5	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-68.5	149.8	-175.9	28	-34.7	0	0	0	110.3	V22 S26	V22-P24 WeakPolarHBondContact O-CD 3.38Å; P24-S26 PolarHBondContact O-N 3.02Å; P24-S26 VanDerWaalsContact O-N 3.09Å
25	P	87.6	Confident	81.4	Confident	25 Å²	25	48.6 Å²	48.6	16%	0.162	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-51.1	120.5	172.5	-22.9	29	0	0	0	111.7	V14 Y30 S58 I60	V14-P25 HydrophobicContact CG2-CG 3.61Å; P25-Y30 HydrophobicContact CB-CE2 4.24Å; P25-S58 WeakPolarHBondContact CG-OG 3.35Å; P25-I60 HydrophobicContact CB-CB 4.34Å; P25-I60 HydrophobicContact CB-CG1 4.34Å; P25-I60 HydrophobicContact CB-CG2 4.16Å; P25-I60 HydrophobicContact CG-CB 4.06Å; P25-I60 HydrophobicContact CG-CD1 4.21Å; P25-I60 HydrophobicContact CG-CG1 4.34Å; P25-I60 HydrophobicContact CG-CG2 4.25Å
26	S	84.1	Confident	81.7	Confident	20 Å²	20	48.3 Å²	48.3	14%	0.14	26%	0.263	C	S	.	.			trans	-123	-173.2	-178.5	47.5	0	0	0	0	111.2	Y23 P24 D28 S29 Y30	Y23-S26 WeakPolarHBondContact CE1-OG 3.25Å; Y23-S26 VanDerWaalsContact CZ-OG 3.31Å; Y23-S26 PolarHBondContact OH-OG 2.97Å; Y23-S26 VanDerWaalsContact OH-OG 3.08Å; P24-S26 PolarHBondContact O-N 3.02Å; P24-S26 VanDerWaalsContact O-N 3.09Å; S26-D28 VanDerWaalsContact C-N 3.33Å; S26-D28 VanDerWaalsContact C-OD1 3.29Å; S26-D28 WeakPolarHBondContact CB-OD1 3.34Å; S26-D28 PolarHBondContact O-N 3.05Å; S26-D28 PolarHBondContact OG-OD1 2.86Å; S26-S29 WeakPolarHBondContact O-CB 3.42Å; S26-S29 PolarHBondContact O-N 3.07Å; S26-S29 VanDerWaalsContact O-N 3.12Å; S26-Y30 WeakPolarHBondContact O-CD2 3.13Å; S26-Y30 PolarHBondContact O-N 2.8Å
27	E	79.7	Confident	82.2	Confident	33 Å²	33	42.7 Å²	42.7	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-44.1	-170.3	-167.6	-71	141.7	0	0	112.9	S29 Y30 L31 Y419 I422 T432 R436	E27-S29 VanDerWaalsContact C-N 3.34Å; E27-S29 PolarHBondContact O-N 3.06Å; E27-Y30 CarbonylContact O-C 3.58Å; E27-Y30 WeakPolarHBondContact O-CA 3.23Å; E27-Y30 WeakPolarHBondContact O-CB 3.45Å; E27-Y30 PolarHBondContact O-N 2.88Å; E27-L31 WeakPolarHBondContact O-CB 3.41Å; E27-L31 PolarHBondContact O-N 3.16Å; E27-Y419 HydrophobicContact CG-CD1 3.99Å; E27-Y419 HydrophobicContact CG-CE1 4.19Å; E27-Y419 WeakPolarHBondContact OE1-CE1 3.26Å; E27-Y419 WeakPolarHBondContact OE2-CE1 3.33Å; E27-I422 HydrophobicContact CG-CD1 3.95Å; E27-T432 HydrophobicContact CB-CG2 3.77Å; E27-T432 HydrophobicContact CG-CG2 4.25Å; E27-R436 IonicContact OE1-CZ 3.94Å; E27-R436 IonicContact OE1-NH1 2.61Å; E27-R436 PolarHBondContact OE1-NH1 2.83Å
28	D	87.4	Confident	82.8	Confident	9 Å²	9	40 Å²	40	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-56.2	-40.9	174.1	59.4	-22.8	0	0	0	113.4	S26 Y30 L31 L32 N126 Y129 V177	S26-D28 VanDerWaalsContact C-N 3.33Å; S26-D28 VanDerWaalsContact C-OD1 3.29Å; S26-D28 WeakPolarHBondContact CB-OD1 3.34Å; S26-D28 PolarHBondContact O-N 3.05Å; S26-D28 PolarHBondContact OG-OD1 2.86Å; D28-Y30 VanDerWaalsContact C-N 3.29Å; D28-Y30 PolarHBondContact O-N 3.44Å; D28-L31 WeakPolarHBondContact O-CB 3.35Å; D28-L31 PolarHBondContact O-N 3.01Å; D28-L32 PolarHBondContact O-N 3.19Å; D28-N126 PolarHBondContact OD2-ND2 3.21Å; D28-N126 PolarHBondContact OD2-OD1 3.09Å; D28-Y129 HydrophobicContact CB-CE1 4.16Å; D28-V177 HydrophobicContact CB-CG1 4.19Å
29	S	89.8	Confident	84	Confident	12 Å²	12	39.7 Å²	39.7	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-40.2	174.2	-56.4	0	0	0	0	111.1	S26 E27 L33	S26-S29 WeakPolarHBondContact O-CB 3.42Å; S26-S29 PolarHBondContact O-N 3.07Å; S26-S29 VanDerWaalsContact O-N 3.12Å; E27-S29 VanDerWaalsContact C-N 3.34Å; E27-S29 PolarHBondContact O-N 3.06Å; S29-L33 WeakPolarHBondContact O-CG 3.29Å; S29-L33 PolarHBondContact O-N 3.28Å
30	Y	85.1	Confident	85.3	Confident	37 Å²	37	36.6 Å²	36.6	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-77.6	-28.4	177.9	-63.8	-56.7	0	0	0	112.8	P25 S26 E27 D28 L32 L33 D34 I60 T432 M433	P25-Y30 HydrophobicContact CB-CE2 4.24Å; S26-Y30 WeakPolarHBondContact O-CD2 3.13Å; S26-Y30 PolarHBondContact O-N 2.8Å; E27-Y30 CarbonylContact O-C 3.58Å; E27-Y30 WeakPolarHBondContact O-CA 3.23Å; E27-Y30 WeakPolarHBondContact O-CB 3.45Å; E27-Y30 PolarHBondContact O-N 2.88Å; D28-Y30 VanDerWaalsContact C-N 3.29Å; D28-Y30 PolarHBondContact O-N 3.44Å; Y30-L32 VanDerWaalsContact C-N 3.35Å; Y30-L33 HydrophobicContact CD1-CD1 4.06Å; Y30-L33 PolarHBondContact O-N 2.75Å; Y30-D34 PolarHBondContact O-N 2.82Å; Y30-I60 HydrophobicContact CE1-CG1 4.46Å; Y30-T432 HydrophobicContact CD2-CG2 4.2Å; Y30-M433 VanDerWaalsContact CB-CE 3.42Å; Y30-M433 HydrophobicContact CD1-CB 4.42Å; Y30-M433 HydrophobicContact CD1-CE 3.08Å; Y30-M433 HydrophobicContact CD2-CB 4.5Å; Y30-M433 HydrophobicContact CD2-CE 4.39Å; Y30-M433 HydrophobicContact CE1-CB 4.34Å; Y30-M433 HydrophobicContact CE1-CE 3.9Å; Y30-M433 HydrophobicContact CE2-CB 4.49Å; Y30-M433 HydrophobicContact CG-CB 4.48Å; Y30-M433 HydrophobicContact CG-CE 3.38Å
31	L	84.3	Confident	85.9	Confident	35 Å²	35	34.2 Å²	34.2	18%	0.183	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-45.7	170.4	-179.6	61.3	0	0	0	111.2	E27 D28 D34 A35 V177 R436	E27-L31 WeakPolarHBondContact O-CB 3.41Å; E27-L31 PolarHBondContact O-N 3.16Å; D28-L31 WeakPolarHBondContact O-CB 3.35Å; D28-L31 PolarHBondContact O-N 3.01Å; L31-D34 PolarHBondContact O-N 2.68Å; L31-A35 WeakPolarHBondContact O-CB 3.38Å; L31-A35 PolarHBondContact O-N 2.79Å; L31-V177 HydrophobicContact CD2-CG1 4.43Å; L31-R436 VanDerWaalsContact CB-NH1 3.26Å
32	L	91.4	Very high	86.2	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-44.9	174.3	-178.2	54.1	0	0	0	111.5	D28 Y30 D34 A35 L36 V61 V124 N126 Y175 V177	D28-L32 PolarHBondContact O-N 3.19Å; Y30-L32 VanDerWaalsContact C-N 3.35Å; L32-D34 PolarHBondContact O-N 2.8Å; L32-A35 PolarHBondContact O-N 3.39Å; L32-L36 HydrophobicContact CD1-CD1 4.44Å; L32-L36 HydrophobicContact CG-CD1 4.28Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 2.97Å; L32-V61 HydrophobicContact CD2-CG1 4.19Å; L32-V61 HydrophobicContact CD2-CG2 4.21Å; L32-V61 HydrophobicContact CG-CG1 4.48Å; L32-V124 HydrophobicContact CD2-CB 4.31Å; L32-N126 HydrophobicContact CD2-CB 4.07Å; L32-Y175 HydrophobicContact CD1-CG 4.49Å; L32-V177 HydrophobicContact CB-CG2 3.8Å; L32-V177 HydrophobicContact CD1-CG2 4.39Å; L32-V177 HydrophobicContact CD2-CG2 4.4Å; L32-V177 HydrophobicContact CG-CG2 4.42Å
33	L	89.9	Confident	86.5	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-42.3	178.8	-75	171.1	0	0	0	113.1	F7 I9 S29 Y30 L36 E37 I60 V61 S64	F7-L33 HydrophobicContact CE1-CB 4.49Å; F7-L33 HydrophobicContact CE1-CD2 3.95Å; F7-L33 VanDerWaalsContact CE1-O 3.3Å; F7-L33 WeakPolarHBondContact CE1-O 3.49Å; F7-L33 HydrophobicContact CZ-CD2 4.01Å; I9-L33 HydrophobicContact CD1-CB 4.14Å; I9-L33 HydrophobicContact CG1-CB 4.12Å; I9-L33 HydrophobicContact CG2-CB 4.24Å; I9-L33 HydrophobicContact CG2-CD1 4.07Å; S29-L33 WeakPolarHBondContact O-CG 3.29Å; S29-L33 PolarHBondContact O-N 3.28Å; Y30-L33 HydrophobicContact CD1-CD1 4.06Å; Y30-L33 PolarHBondContact O-N 2.75Å; L33-L36 WeakPolarHBondContact O-CB 3.29Å; L33-L36 PolarHBondContact O-N 3.35Å; L33-E37 PolarHBondContact O-N 2.93Å; L33-I60 HydrophobicContact CD1-CG1 4.23Å; L33-V61 HydrophobicContact CD2-CB 4.38Å; L33-V61 HydrophobicContact CD2-CG1 4.11Å; L33-V61 HydrophobicContact CD2-CG2 4.4Å; L33-V61 HydrophobicContact CG-CG2 4.23Å; L33-S64 VanDerWaalsContact CD2-CB 3.45Å
34	D	81.7	Confident	86.7	Confident	21 Å²	21	35.3 Å²	35.3	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-37.9	176.3	-78	11.7	0	0	0	112	Y30 L31 L32 L36 E37 S38 R436	Y30-D34 PolarHBondContact O-N 2.82Å; L31-D34 PolarHBondContact O-N 2.68Å; L32-D34 PolarHBondContact O-N 2.8Å; D34-L36 VanDerWaalsContact C-N 3.3Å; D34-L36 PolarHBondContact O-N 3.44Å; D34-E37 PolarHBondContact O-N 3.07Å; D34-S38 WeakPolarHBondContact O-CB 3.22Å; D34-S38 PolarHBondContact O-N 3.16Å; D34-S38 PolarHBondContact O-OG 3.27Å; D34-R436 VanDerWaalsContact CB-NH2 3.26Å; D34-R436 VanDerWaalsContact CG-NH2 3.28Å; D34-R436 IonicContact OD2-CZ 3.15Å; D34-R436 IonicContact OD2-NE 2.67Å; D34-R436 PolarHBondContact OD2-NE 2.89Å; D34-R436 IonicContact OD2-NH2 3.04Å; D34-R436 PolarHBondContact OD2-NH2 2.88Å
35	A	86.1	Confident	86.9	Confident	23 Å²	23	35.5 Å²	35.5	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-41.9	175.2	0	0	0	0	0	110.9	L31 L32 S38 Y175	L31-A35 WeakPolarHBondContact O-CB 3.38Å; L31-A35 PolarHBondContact O-N 2.79Å; L32-A35 PolarHBondContact O-N 3.39Å; A35-S38 PolarHBondContact O-OG 2.91Å; A35-Y175 HydrophobicContact CB-CD1 4.12Å; A35-Y175 HydrophobicContact CB-CE1 4.14Å
36	L	91.3	Very high	86.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-44.3	173.2	-68.5	166.8	0	0	0	111.9	F7 L32 L33 D34 S38 D39 W40 I43 V61 L65 L122 V124 Y175	F7-L36 HydrophobicContact CE1-CB 4.03Å; F7-L36 HydrophobicContact CE2-CB 4.28Å; F7-L36 HydrophobicContact CZ-CB 3.67Å; F7-L36 HydrophobicContact CZ-CD1 4.23Å; L32-L36 HydrophobicContact CD1-CD1 4.44Å; L32-L36 HydrophobicContact CG-CD1 4.28Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 2.97Å; L33-L36 WeakPolarHBondContact O-CB 3.29Å; L33-L36 PolarHBondContact O-N 3.35Å; D34-L36 VanDerWaalsContact C-N 3.3Å; D34-L36 PolarHBondContact O-N 3.44Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.44Å; L36-D39 PolarHBondContact O-N 3.28Å; L36-W40 WeakPolarHBondContact O-CA 3.34Å; L36-W40 WeakPolarHBondContact O-CB 3.29Å; L36-W40 PolarHBondContact O-N 3.39Å; L36-I43 HydrophobicContact CD2-CD1 4.29Å; L36-V61 HydrophobicContact CD1-CG1 4.11Å; L36-L65 HydrophobicContact CD1-CD2 4.12Å; L36-L65 HydrophobicContact CD1-CG 4.49Å; L36-L122 HydrophobicContact CD2-CD1 4.16Å; L36-L122 HydrophobicContact CD2-CD2 4.14Å; L36-V124 HydrophobicContact CD1-CG1 4.24Å; L36-V124 HydrophobicContact CD2-CG1 3.99Å; L36-Y175 HydrophobicContact CD2-CD1 4.14Å; L36-Y175 HydrophobicContact CD2-CD2 3.85Å; L36-Y175 HydrophobicContact CD2-CE1 4.27Å; L36-Y175 HydrophobicContact CD2-CE2 4.01Å; L36-Y175 HydrophobicContact CD2-CG 3.94Å
37	E	87	Confident	87.2	Confident	44 Å²	44	41 Å²	41	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-43.5	177.6	-175.7	168.1	-139.4	0	0	112.1	S3 S5 F7 I9 L33 D34 D39 W40	S3-E37 WeakPolarHBondContact CB-OE1 3.25Å; S3-E37 PolarHBondContact OG-OE1 2.87Å; S5-E37 WeakPolarHBondContact OG-CG 3.47Å; F7-E37 HydrophobicContact CB-CB 4.27Å; F7-E37 HydrophobicContact CB-CG 3.97Å; F7-E37 HydrophobicContact CD1-CB 3.55Å; F7-E37 HydrophobicContact CD1-CG 4.08Å; F7-E37 HydrophobicContact CE1-CB 4.24Å; F7-E37 HydrophobicContact CG-CB 4.2Å; F7-E37 HydrophobicContact CG-CG 4.43Å; I9-E37 HydrophobicContact CD1-CB 3.79Å; I9-E37 HydrophobicContact CD1-CG 4.24Å; I9-E37 WeakPolarHBondContact CD1-OE2 3.18Å; L33-E37 PolarHBondContact O-N 2.93Å; D34-E37 PolarHBondContact O-N 3.07Å; E37-D39 PolarHBondContact O-N 3.46Å; E37-W40 WeakPolarHBondContact O-CB 3.19Å; E37-W40 PolarHBondContact O-N 2.87Å; E37-W40 VanDerWaalsContact O-N 3.15Å
38	S	80.4	Confident	87.8	Confident	78 Å²	78	39.8 Å²	39.8	55%	0.545	25%	0.25	S	S	.	.	H	α-helix	trans	-61.5	-33.3	-176.5	70.1	0	0	0	0	113	D34 A35 L36	D34-S38 WeakPolarHBondContact O-CB 3.22Å; D34-S38 PolarHBondContact O-N 3.16Å; D34-S38 PolarHBondContact O-OG 3.27Å; A35-S38 PolarHBondContact O-OG 2.91Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.44Å
39	D	87.8	Confident	88.2	Confident	56 Å²	56	42.8 Å²	42.8	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-101.8	1.7	178.7	-79.3	22.6	0	0	0	112.9	L36 E37 V41 A42 I43 Y175 K199	L36-D39 PolarHBondContact O-N 3.28Å; E37-D39 PolarHBondContact O-N 3.46Å; D39-V41 PolarHBondContact O-N 2.83Å; D39-A42 PolarHBondContact O-N 2.85Å; D39-I43 HydrophobicContact CB-CD1 3.83Å; D39-I43 HydrophobicContact CB-CG1 4.1Å; D39-I43 WeakPolarHBondContact O-CG1 3.37Å; D39-I43 PolarHBondContact O-N 3.08Å; D39-Y175 VanDerWaalsContact CB-OH 3.3Å; D39-Y175 WeakPolarHBondContact CB-OH 3.39Å; D39-Y175 PolarHBondContact OD2-OH 3.1Å; D39-K199 IonicContact OD1-NZ 2.89Å; D39-K199 PolarHBondContact OD1-NZ 3.24Å; D39-K199 IonicContact OD2-NZ 2.64Å; D39-K199 PolarHBondContact OD2-NZ 2.77Å
40	W	89.8	Confident	88.5	Confident	1 Å²	1	44 Å²	44	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-29.9	-168.3	-168.6	-114.6	0	0	0	113.1	F7 L36 E37 I43 K44 L65 L69 L122	F7-W40 HydrophobicContact CB-CB 4.01Å; F7-W40 HydrophobicContact CB-CD2 4.36Å; F7-W40 HydrophobicContact CB-CG 3.74Å; F7-W40 HydrophobicContact CD2-CB 4.23Å; F7-W40 AromaticContact CD2-CD1 3.97Å; F7-W40 AromaticContact CD2-CD2 3.26Å; F7-W40 HydrophobicContact CD2-CD2 3.26Å; F7-W40 AromaticContact CD2-CE2 3.59Å; F7-W40 AromaticContact CD2-CE3 3.49Å; F7-W40 HydrophobicContact CD2-CE3 3.49Å; F7-W40 VanDerWaalsContact CD2-CE3 3.49Å; F7-W40 AromaticContact CD2-CG 3.58Å; F7-W40 HydrophobicContact CD2-CG 3.58Å; F7-W40 HydrophobicContact CD2-CH2 4.29Å; F7-W40 HydrophobicContact CD2-CZ2 4.12Å; F7-W40 AromaticContact CD2-CZ3 4Å; F7-W40 HydrophobicContact CD2-CZ3 4Å; F7-W40 AromaticContact CD2-NE1 3.95Å; F7-W40 AromaticContact CE2-CD2 3.86Å; F7-W40 HydrophobicContact CE2-CD2 3.86Å; F7-W40 AromaticContact CE2-CE3 3.56Å; F7-W40 HydrophobicContact CE2-CE3 3.56Å; F7-W40 HydrophobicContact CE2-CH2 4.15Å; F7-W40 HydrophobicContact CE2-CZ2 4.42Å; F7-W40 AromaticContact CE2-CZ3 3.71Å; F7-W40 HydrophobicContact CE2-CZ3 3.71Å; F7-W40 HydrophobicContact CG-CB 4.3Å; F7-W40 HydrophobicContact CG-CD2 4.15Å; F7-W40 AromaticContact CG-CG 3.98Å; F7-W40 HydrophobicContact CG-CG 3.98Å; L36-W40 WeakPolarHBondContact O-CA 3.34Å; L36-W40 WeakPolarHBondContact O-CB 3.29Å; L36-W40 PolarHBondContact O-N 3.39Å; E37-W40 WeakPolarHBondContact O-CB 3.19Å; E37-W40 PolarHBondContact O-N 2.87Å; E37-W40 VanDerWaalsContact O-N 3.15Å; W40-I43 HydrophobicContact CE3-CB 4.05Å; W40-I43 HydrophobicContact CE3-CD1 4.12Å; W40-I43 HydrophobicContact CE3-CG2 3.83Å; W40-I43 HydrophobicContact CH2-CG2 4.37Å; W40-I43 HydrophobicContact CZ3-CB 4.39Å; W40-I43 HydrophobicContact CZ3-CG2 3.65Å; W40-K44 WeakPolarHBondContact O-CB 3.43Å; W40-K44 PolarHBondContact O-N 2.99Å; W40-L65 HydrophobicContact CH2-CD2 4.3Å; W40-L65 HydrophobicContact CZ3-CD2 3.96Å; W40-L69 HydrophobicContact CH2-CD2 3.74Å; W40-L69 HydrophobicContact CH2-CG 3.98Å; W40-L69 HydrophobicContact CZ2-CD2 4.22Å; W40-L69 HydrophobicContact CZ2-CG 4.43Å; W40-L122 HydrophobicContact CZ3-CD2 4.49Å
41	V	85.7	Confident	89.1	Confident	94 Å²	94	42.2 Å²	42.2	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-61.3	-47.6	174.5	178	0	0	0	0	110.9	D39 A45	D39-V41 PolarHBondContact O-N 2.83Å; V41-A45 WeakPolarHBondContact O-CB 3.49Å; V41-A45 PolarHBondContact O-N 2.94Å
42	A	87.3	Confident	89.7	Confident	67 Å²	67	40.6 Å²	40.6	55%	0.554	26%	0.259	S	S	*	.	H	α-helix	trans	-71.6	-43	178.6	0	0	0	0	0	111.8	D39 K44 A45 S46	D39-A42 PolarHBondContact O-N 2.85Å; A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 3.22Å; A42-A45 WeakPolarHBondContact O-CB 3.09Å; A42-A45 PolarHBondContact O-N 3.42Å; A42-S46 PolarHBondContact O-N 2.87Å
43	I	91.3	Very high	90.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-47.1	174.7	-65	168.9	0	0	0	109.8	L36 D39 W40 A45 S46 P48 L122 L173 Y175	L36-I43 HydrophobicContact CD2-CD1 4.29Å; D39-I43 HydrophobicContact CB-CD1 3.83Å; D39-I43 HydrophobicContact CB-CG1 4.1Å; D39-I43 WeakPolarHBondContact O-CG1 3.37Å; D39-I43 PolarHBondContact O-N 3.08Å; W40-I43 HydrophobicContact CE3-CB 4.05Å; W40-I43 HydrophobicContact CE3-CD1 4.12Å; W40-I43 HydrophobicContact CE3-CG2 3.83Å; W40-I43 HydrophobicContact CH2-CG2 4.37Å; W40-I43 HydrophobicContact CZ3-CB 4.39Å; W40-I43 HydrophobicContact CZ3-CG2 3.65Å; I43-A45 VanDerWaalsContact C-N 3.32Å; I43-A45 PolarHBondContact O-N 3.08Å; I43-S46 PolarHBondContact O-N 2.95Å; I43-S46 PolarHBondContact O-OG 3.07Å; I43-P48 HydrophobicContact CG2-CG 3.97Å; I43-P48 WeakPolarHBondContact O-CD 3.47Å; I43-L122 HydrophobicContact CG2-CD2 4.43Å; I43-L173 HydrophobicContact CG1-CD1 3.82Å; I43-Y175 HydrophobicContact CD1-CE2 4.23Å
44	K	88.4	Confident	90.5	Very high	103 Å²	103	40.7 Å²	40.7	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-34.3	-179.9	-172.9	178.3	179.4	-175.6	0	112.2	W40 A42 S46 S47	W40-K44 WeakPolarHBondContact O-CB 3.43Å; W40-K44 PolarHBondContact O-N 2.99Å; A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 3.22Å; K44-S46 VanDerWaalsContact C-N 3.26Å; K44-S46 PolarHBondContact O-N 2.84Å; K44-S47 PolarHBondContact O-N 2.77Å
45	A	88	Confident	91.2	Very high	81 Å²	81	41.1 Å²	41.1	67%	0.669	27%	0.269	S	S	*	.	H	α-helix	trans	-63.5	-31.6	176.4	0	0	0	0	0	112.5	V41 A42 I43 S47	V41-A45 WeakPolarHBondContact O-CB 3.49Å; V41-A45 PolarHBondContact O-N 2.94Å; A42-A45 WeakPolarHBondContact O-CB 3.09Å; A42-A45 PolarHBondContact O-N 3.42Å; I43-A45 VanDerWaalsContact C-N 3.32Å; I43-A45 PolarHBondContact O-N 3.08Å; A45-S47 PolarHBondContact O-N 3.32Å
46	S	88.8	Confident	91.7	Very high	73 Å²	73	40.1 Å²	40.1	51%	0.51	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-3	174	70.3	0	0	0	0	114.2	A42 I43 K44	A42-S46 PolarHBondContact O-N 2.87Å; I43-S46 PolarHBondContact O-N 2.95Å; I43-S46 PolarHBondContact O-OG 3.07Å; K44-S46 VanDerWaalsContact C-N 3.26Å; K44-S46 PolarHBondContact O-N 2.84Å
47	S	89.7	Confident	91.8	Very high	88 Å²	88	40.9 Å²	40.9	62%	0.615	27%	0.268	S	S	*	.			trans	52.7	56.5	177.3	-57.6	0	0	0	0	114.1	K44 A45 T49	K44-S47 PolarHBondContact O-N 2.77Å; A45-S47 PolarHBondContact O-N 3.32Å; S47-T49 PolarHBondContact O-N 3.44Å
48	P	93.3	Very high	92.1	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.039	26%	0.26	C	S	.	.			trans	-62.1	131.3	-177.6	26.4	-36.7	0	0	0	111	I43 L69 D121	I43-P48 HydrophobicContact CG2-CG 3.97Å; I43-P48 WeakPolarHBondContact O-CD 3.47Å; P48-L69 HydrophobicContact CG-CD2 3.75Å; P48-D121 HydrophobicContact CB-CB 3.74Å
49	T	94.4	Very high	92.8	Very high	72 Å²	72	35.4 Å²	35.4	44%	0.442	23%	0.234	S	C	.	.			trans	-106.5	-35.3	-176.8	61.5	0	0	0	0	112.2	S47 G73 V74 D121	S47-T49 PolarHBondContact O-N 3.44Å; T49-G73 CarbonylContact O-C 3.53Å; T49-G73 WeakPolarHBondContact O-CA 3.33Å; T49-V74 PolarHBondContact O-N 3.35Å; T49-D121 PolarHBondContact N-OD2 2.79Å; T49-D121 PolarHBondContact OG1-OD2 3.21Å
50	I	96.5	Very high	93	Very high	37 Å²	37	33 Å²	33	19%	0.19	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	109.4	-179.3	-60.7	171.9	0	0	0	108.8	V52 V74 I76 L116 C119 V120 D121 L122	I50-V52 HydrophobicContact CG2-CG2 4.42Å; I50-V74 HydrophobicContact CG1-CG2 4.21Å; I50-I76 HydrophobicContact CG2-CD1 4.42Å; I50-L116 HydrophobicContact CG2-CD2 4.48Å; I50-C119 WeakPolarHBondContact CB-O 3.35Å; I50-C119 HydrophobicContact CD1-CB 3.97Å; I50-V120 HydrophobicContact CG2-CG2 4.33Å; I50-D121 PolarHBondContact N-OD2 3.43Å; I50-D121 VanDerWaalsContact N-OD2 3.1Å; I50-D121 PolarHBondContact O-N 2.95Å; I50-L122 PolarHBondContact O-N 2.79Å
51	C	97.5	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139	172.6	-56.8	0	0	0	0	109.9	L69 V74 V75 I76 L122	C51-L69 HydrophobicContact CB-CD1 4.25Å; C51-L69 VanDerWaalsContact SG-CD1 3.52Å; C51-V74 PolarHBondContact N-O 3.04Å; C51-V75 HydrophobicContact CB-CG2 4.32Å; C51-V75 WeakPolarHBondContact O-CA 3.43Å; C51-I76 PolarHBondContact O-N 2.65Å; C51-L122 CarbonylContact C-O 3.38Å; C51-L122 VanDerWaalsContact CA-O 3.25Å; C51-L122 WeakPolarHBondContact CA-O 3.46Å; C51-L122 HydrophobicContact CB-CB 4.25Å
52	V	98.3	Very high	93.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.6	176.9	-179.3	0	0	0	0	110	I50 V54 I76 I109 L112 L116 V120 L122 L123 V124	I50-V52 HydrophobicContact CG2-CG2 4.42Å; V52-V54 HydrophobicContact CG1-CG2 4.33Å; V52-I76 CarbonylContact C-O 3.54Å; V52-I76 WeakPolarHBondContact CA-O 3.47Å; V52-I76 HydrophobicContact CG2-CB 4.35Å; V52-I109 HydrophobicContact CG1-CG2 4.48Å; V52-L112 HydrophobicContact CG1-CD1 4.3Å; V52-L116 HydrophobicContact CG2-CD1 3.93Å; V52-V120 HydrophobicContact CB-CG1 3.95Å; V52-V120 HydrophobicContact CB-CG2 4.48Å; V52-V120 HydrophobicContact CG2-CB 4.3Å; V52-V120 HydrophobicContact CG2-CG1 3.71Å; V52-V120 HydrophobicContact CG2-CG2 3.56Å; V52-L122 PolarHBondContact N-O 3.09Å; V52-L123 HydrophobicContact CB-CD1 3.78Å; V52-L123 HydrophobicContact CG1-CD1 3.77Å; V52-L123 CarbonylContact O-C 3.6Å; V52-L123 WeakPolarHBondContact O-CA 3.47Å; V52-V124 PolarHBondContact O-N 2.88Å
53	E	98.3	Very high	94.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.2	164.7	175.2	175.6	-164.2	0	0	109.7	C56 V61 S62 I76 C77 T78 V124	E53-C56 HydrophobicContact CG-CB 4.04Å; E53-V61 WeakPolarHBondContact OE1-CB 3.49Å; E53-S62 WeakPolarHBondContact OE2-CA 3.38Å; E53-S62 VanDerWaalsContact OE2-CB 3.22Å; E53-S62 WeakPolarHBondContact OE2-CB 3.39Å; E53-S62 PolarHBondContact OE2-N 3.21Å; E53-S62 PolarHBondContact OE2-OG 3.32Å; E53-I76 PolarHBondContact N-O 3.45Å; E53-C77 HydrophobicContact CB-CB 4.11Å; E53-C77 CarbonylContact O-C 3.43Å; E53-C77 VanDerWaalsContact O-CA 3.29Å; E53-C77 WeakPolarHBondContact O-CA 3.41Å; E53-T78 PolarHBondContact O-N 3.49Å; E53-V124 CarbonylContact C-O 3.48Å; E53-V124 WeakPolarHBondContact CA-O 3.35Å; E53-V124 HydrophobicContact CB-CG2 3.57Å; E53-V124 HydrophobicContact CG-CG2 3.85Å
54	V	98.3	Very high	94.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.5	170.3	-176	0	0	0	0	109	V52 T78 L108 I109 L123 V124 F125 L160	V52-V54 HydrophobicContact CG1-CG2 4.33Å; V54-T78 WeakPolarHBondContact CA-OG1 3.33Å; V54-L108 HydrophobicContact CG1-CB 4.33Å; V54-L108 HydrophobicContact CG1-CD2 3.7Å; V54-I109 HydrophobicContact CG2-CG2 3.57Å; V54-L123 HydrophobicContact CG2-CD1 3.91Å; V54-V124 PolarHBondContact N-O 3Å; V54-F125 HydrophobicContact CB-CB 4.3Å; V54-F125 HydrophobicContact CB-CD2 3.82Å; V54-F125 HydrophobicContact CB-CE2 4.21Å; V54-F125 HydrophobicContact CB-CG 4.07Å; V54-F125 HydrophobicContact CG1-CD2 3.95Å; V54-F125 HydrophobicContact CG1-CE2 3.8Å; V54-F125 HydrophobicContact CG1-CG 4.36Å; V54-F125 HydrophobicContact CG1-CZ 4.1Å; V54-F125 WeakPolarHBondContact O-CD2 3.37Å; V54-L160 HydrophobicContact CB-CD2 4.05Å; V54-L160 HydrophobicContact CG1-CD2 4.24Å; V54-L160 HydrophobicContact CG2-CD1 4.34Å; V54-L160 HydrophobicContact CG2-CD2 3.82Å
55	G	96.7	Very high	94.5	Very high	29 Å²	29	20.3 Å²	20.3	30%	0.299	15%	0.146	S	C	.	.	S	Bend	trans	69.3	54.8	-176.9	0	0	0	0	0	112.6	G57 T78	G55-G57 VanDerWaalsContact C-N 3.33Å; G55-G57 PolarHBondContact O-N 2.8Å; G55-T78 WeakPolarHBondContact CA-O 3.32Å; G55-T78 PolarHBondContact N-O 3.11Å
56	C	96.1	Very high	94.8	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.02	12%	0.116	C	C	.	.			trans	-71.8	-20.8	-168	66.6	0	0	0	0	115.4	E53 S58 G59 C77 T78 D79 T88	E53-C56 HydrophobicContact CG-CB 4.04Å; C56-S58 PolarHBondContact O-N 3.11Å; C56-G59 PolarHBondContact O-N 3.48Å; C56-C77 HydrophobicContact CB-CB 3.65Å; C56-T78 PolarHBondContact N-O 3.1Å; C56-D79 PolarHBondContact N-OD2 3.27Å; C56-T88 HydrophobicContact CB-CG2 4.28Å; C56-T88 PolarHBondContact SG-OG1 3.05Å
57	G	94.4	Very high	94.9	Very high	15 Å²	15	17 Å²	17	16%	0.155	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-111.9	172	0	0	0	0	0	113.4	V22 G55 G59 D79 S84 T88	V22-G57 VanDerWaalsContact CG1-C 3.48Å; G55-G57 VanDerWaalsContact C-N 3.33Å; G55-G57 PolarHBondContact O-N 2.8Å; G57-G59 VanDerWaalsContact C-N 3.29Å; G57-G59 PolarHBondContact O-N 2.64Å; G57-D79 PolarHBondContact N-OD2 3.12Å; G57-S84 CarbonylContact O-C 3.54Å; G57-T88 PolarHBondContact O-OG1 3.06Å
58	S	93.1	Very high	94.8	Very high	7 Å²	7	13.1 Å²	13.1	5%	0.049	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.9	179.8	64	0	0	0	0	115.1	P25 C56 I60 S91	P25-S58 WeakPolarHBondContact CG-OG 3.35Å; C56-S58 PolarHBondContact O-N 3.11Å; S58-I60 PolarHBondContact OG-N 3.01Å; S58-S91 WeakPolarHBondContact O-CB 3.38Å; S58-S91 PolarHBondContact O-OG 3.38Å
59	G	94.5	Very high	94.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	81.7	10.8	-176.3	0	0	0	0	0	115	C56 G57 V61 C63 T88	C56-G59 PolarHBondContact O-N 3.48Å; G57-G59 VanDerWaalsContact C-N 3.29Å; G57-G59 PolarHBondContact O-N 2.64Å; G59-V61 PolarHBondContact O-N 3.46Å; G59-C63 WeakPolarHBondContact O-CB 3.5Å; G59-C63 PolarHBondContact O-N 3.35Å; G59-C63 PolarHBondContact O-SG 3.46Å; G59-T88 WeakPolarHBondContact CA-OG1 3.42Å; G59-T88 PolarHBondContact N-OG1 3.05Å
60	I	93.6	Very high	93.7	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-60.3	-44.3	-176.6	-167.5	84	0	0	0	112.3	I12 P25 Y30 L33 S58 S64	I12-I60 HydrophobicContact CB-CD1 3.51Å; I12-I60 HydrophobicContact CB-CG1 4.46Å; I12-I60 HydrophobicContact CG1-CD1 4.3Å; I12-I60 HydrophobicContact CG2-CD1 3.6Å; I12-I60 HydrophobicContact CG2-CG1 4.43Å; P25-I60 HydrophobicContact CB-CB 4.34Å; P25-I60 HydrophobicContact CB-CG1 4.34Å; P25-I60 HydrophobicContact CB-CG2 4.16Å; P25-I60 HydrophobicContact CG-CB 4.06Å; P25-I60 HydrophobicContact CG-CD1 4.21Å; P25-I60 HydrophobicContact CG-CG1 4.34Å; P25-I60 HydrophobicContact CG-CG2 4.25Å; Y30-I60 HydrophobicContact CE1-CG1 4.46Å; L33-I60 HydrophobicContact CD1-CG1 4.23Å; S58-I60 PolarHBondContact OG-N 3.01Å; I60-S64 WeakPolarHBondContact O-CB 3Å; I60-S64 PolarHBondContact O-N 2.69Å; I60-S64 PolarHBondContact O-OG 3.05Å
61	V	95.3	Very high	92.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-72.5	-48.4	-178.9	-176	0	0	0	0	109.8	L32 L33 L36 E53 G59 C63 S64 L65 V124	L32-V61 HydrophobicContact CD2-CG1 4.19Å; L32-V61 HydrophobicContact CD2-CG2 4.21Å; L32-V61 HydrophobicContact CG-CG1 4.48Å; L33-V61 HydrophobicContact CD2-CB 4.38Å; L33-V61 HydrophobicContact CD2-CG1 4.11Å; L33-V61 HydrophobicContact CD2-CG2 4.4Å; L33-V61 HydrophobicContact CG-CG2 4.23Å; L36-V61 HydrophobicContact CD1-CG1 4.11Å; E53-V61 WeakPolarHBondContact OE1-CB 3.49Å; G59-V61 PolarHBondContact O-N 3.46Å; V61-C63 VanDerWaalsContact C-N 3.34Å; V61-C63 PolarHBondContact O-N 2.76Å; V61-S64 PolarHBondContact O-N 3.4Å; V61-S64 VanDerWaalsContact O-N 3.12Å; V61-L65 HydrophobicContact CG1-CD1 4.18Å; V61-L65 HydrophobicContact CG1-CG 4.43Å; V61-L65 PolarHBondContact O-N 3.31Å; V61-V124 HydrophobicContact CG1-CG2 4.12Å
62	S	96.1	Very high	91.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-49.1	-50.3	172.3	-78.2	0	0	0	0	113.3	E53 L65 A66 C77	E53-S62 WeakPolarHBondContact OE2-CA 3.38Å; E53-S62 VanDerWaalsContact OE2-CB 3.22Å; E53-S62 WeakPolarHBondContact OE2-CB 3.39Å; E53-S62 PolarHBondContact OE2-N 3.21Å; E53-S62 PolarHBondContact OE2-OG 3.32Å; S62-L65 PolarHBondContact O-N 3.45Å; S62-A66 WeakPolarHBondContact O-CB 3.37Å; S62-A66 PolarHBondContact O-N 3.07Å; S62-C77 WeakPolarHBondContact OG-CB 3.39Å; S62-C77 PolarHBondContact OG-SG 2.91Å
63	C	95	Very high	91.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-38.1	-179.4	-66.9	0	0	0	0	111.6	I12 G59 V61 A66 R67 N95	I12-C63 HydrophobicContact CD1-CB 4.03Å; I12-C63 HydrophobicContact CG1-CB 4.48Å; I12-C63 HydrophobicContact CG2-CB 3.65Å; G59-C63 WeakPolarHBondContact O-CB 3.5Å; G59-C63 PolarHBondContact O-N 3.35Å; G59-C63 PolarHBondContact O-SG 3.46Å; V61-C63 VanDerWaalsContact C-N 3.34Å; V61-C63 PolarHBondContact O-N 2.76Å; C63-A66 PolarHBondContact O-N 3.37Å; C63-R67 VanDerWaalsContact O-CG 3.32Å; C63-R67 WeakPolarHBondContact O-CG 3.17Å; C63-R67 PolarHBondContact O-N 3.1Å; C63-N95 HydrophobicContact CB-CB 4.45Å
64	S	93.6	Very high	91	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-44.3	176.2	-56.9	0	0	0	0	111.6	E8 I12 L33 I60 V61 R67 S68	E8-S64 WeakPolarHBondContact O-CA 3.4Å; E8-S64 WeakPolarHBondContact O-CB 3.39Å; I12-S64 WeakPolarHBondContact CG1-OG 3.33Å; L33-S64 VanDerWaalsContact CD2-CB 3.45Å; I60-S64 WeakPolarHBondContact O-CB 3Å; I60-S64 PolarHBondContact O-N 2.69Å; I60-S64 PolarHBondContact O-OG 3.05Å; V61-S64 PolarHBondContact O-N 3.4Å; V61-S64 VanDerWaalsContact O-N 3.12Å; S64-R67 PolarHBondContact O-N 2.92Å; S64-S68 WeakPolarHBondContact O-CB 3.39Å; S64-S68 PolarHBondContact O-N 2.78Å; S64-S68 PolarHBondContact O-OG 3.41Å
65	L	94.1	Very high	91	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.1	-50.5	173	-77.1	174.7	0	0	0	110.9	F7 L36 W40 V61 S62 R67 S68 L69 V75 L122 V124	F7-L65 HydrophobicContact CE2-CD2 4.14Å; F7-L65 HydrophobicContact CZ-CD2 4.4Å; L36-L65 HydrophobicContact CD1-CD2 4.12Å; L36-L65 HydrophobicContact CD1-CG 4.49Å; W40-L65 HydrophobicContact CH2-CD2 4.3Å; W40-L65 HydrophobicContact CZ3-CD2 3.96Å; V61-L65 HydrophobicContact CG1-CD1 4.18Å; V61-L65 HydrophobicContact CG1-CG 4.43Å; V61-L65 PolarHBondContact O-N 3.31Å; S62-L65 PolarHBondContact O-N 3.45Å; L65-R67 PolarHBondContact O-N 3.16Å; L65-S68 PolarHBondContact O-N 3.17Å; L65-S68 VanDerWaalsContact O-N 3.07Å; L65-L69 WeakPolarHBondContact O-CB 3.42Å; L65-L69 VanDerWaalsContact O-CG 3.27Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3.25Å; L65-V75 HydrophobicContact CB-CG2 4.02Å; L65-L122 HydrophobicContact CD2-CD2 3.71Å; L65-V124 HydrophobicContact CD1-CG1 4.4Å; L65-V124 HydrophobicContact CD1-CG2 4.04Å
66	A	93.6	Very high	91	Very high	4 Å²	4	31 Å²	31	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-44.1	-179.3	0	0	0	0	0	112.7	S62 C63 S68 R70 V75 C97 V100 V101	S62-A66 WeakPolarHBondContact O-CB 3.37Å; S62-A66 PolarHBondContact O-N 3.07Å; C63-A66 PolarHBondContact O-N 3.37Å; A66-S68 VanDerWaalsContact C-N 3.28Å; A66-S68 PolarHBondContact O-N 2.94Å; A66-R70 PolarHBondContact O-N 3.04Å; A66-V75 HydrophobicContact CB-CG2 4.08Å; A66-C97 HydrophobicContact CB-CB 3.91Å; A66-V100 HydrophobicContact CB-CB 4.22Å; A66-V100 HydrophobicContact CB-CG1 3.79Å; A66-V101 HydrophobicContact CB-CG2 3.47Å; A66-V101 VanDerWaalsContact CB-CG2 3.47Å
67	R	90.4	Very high	91.1	Very high	82 Å²	82	30.9 Å²	30.9	31%	0.309	16%	0.16	S	C	.	.	H	α-helix	trans	-63.5	-35.7	175.8	-71.2	-176.7	68.9	140.3	3	112.5	E8 I12 C63 S64 L65 C97	E8-R67 HydrophobicContact CB-CB 3.93Å; E8-R67 IonicContact OE2-CZ 3.2Å; E8-R67 IonicContact OE2-NE 3.46Å; E8-R67 PolarHBondContact OE2-NE 2.72Å; E8-R67 IonicContact OE2-NH2 3.58Å; E8-R67 PolarHBondContact OE2-NH2 2.96Å; I12-R67 VanDerWaalsContact CD1-CD 3.41Å; I12-R67 HydrophobicContact CD1-CG 4.43Å; C63-R67 VanDerWaalsContact O-CG 3.32Å; C63-R67 WeakPolarHBondContact O-CG 3.17Å; C63-R67 PolarHBondContact O-N 3.1Å; S64-R67 PolarHBondContact O-N 2.92Å; L65-R67 PolarHBondContact O-N 3.16Å; R67-C97 VanDerWaalsContact CG-SG 3.54Å
68	S	88.8	Confident	91.2	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-76.9	-38.8	-178.4	-54.5	0	0	0	0	112.8	F7 E8 S64 L65 A66 R70	F7-S68 VanDerWaalsContact CD2-CB 3.44Å; F7-S68 WeakPolarHBondContact CD2-OG 3.5Å; F7-S68 WeakPolarHBondContact CE2-OG 3.27Å; E8-S68 PolarHBondContact N-OG 3.24Å; S64-S68 WeakPolarHBondContact O-CB 3.39Å; S64-S68 PolarHBondContact O-N 2.78Å; S64-S68 PolarHBondContact O-OG 3.41Å; L65-S68 PolarHBondContact O-N 3.17Å; L65-S68 VanDerWaalsContact O-N 3.07Å; A66-S68 VanDerWaalsContact C-N 3.28Å; A66-S68 PolarHBondContact O-N 2.94Å; S68-R70 VanDerWaalsContact C-N 3.27Å
69	L	85.9	Confident	91.4	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-70.6	-23.5	173.8	-68.2	168	0	0	0	112.5	W40 P48 C51 L65 H71 C72 V75	W40-L69 HydrophobicContact CH2-CD2 3.74Å; W40-L69 HydrophobicContact CH2-CG 3.98Å; W40-L69 HydrophobicContact CZ2-CD2 4.22Å; W40-L69 HydrophobicContact CZ2-CG 4.43Å; P48-L69 HydrophobicContact CG-CD2 3.75Å; C51-L69 HydrophobicContact CB-CD1 4.25Å; C51-L69 VanDerWaalsContact SG-CD1 3.52Å; L65-L69 WeakPolarHBondContact O-CB 3.42Å; L65-L69 VanDerWaalsContact O-CG 3.27Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3.25Å; L69-H71 PolarHBondContact O-N 3.29Å; L69-C72 PolarHBondContact O-N 2.96Å; L69-V75 HydrophobicContact CD1-CG2 3.69Å
70	R	77.8	Confident	91.5	Very high	136 Å²	136	36.2 Å²	36.2	51%	0.513	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-122.8	-174.1	-55.5	-179.7	176.4	-177.4	-1.6	110.3	A66 S68	A66-R70 PolarHBondContact O-N 3.04Å; S68-R70 VanDerWaalsContact C-N 3.27Å
71	H	71.3	Confident	91.5	Very high	179 Å²	179	38.4 Å²	38.4	83%	0.829	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	14.7	-178.2	-60.5	-56.7	0	0	0	113.3	L69	L69-H71 PolarHBondContact O-N 3.29Å
72	C	79.4	Confident	91.4	Very high	102 Å²	102	42.3 Å²	42.3	69%	0.689	22%	0.22	S	C	*	.	S	Bend	trans	-91.7	0.8	-174.7	-61.2	0	0	0	0	114.4	L69	L69-C72 PolarHBondContact O-N 2.96Å
73	G	88	Confident	91.2	Very high	15 Å²	15	44.6 Å²	44.6	16%	0.155	23%	0.234	C	C	.	.			trans	-168.5	-172.2	-177.5	0	0	0	0	0	113.1	T49	T49-G73 CarbonylContact O-C 3.53Å; T49-G73 WeakPolarHBondContact O-CA 3.33Å
74	V	95.1	Very high	91.2	Very high	57 Å²	57	44.9 Å²	44.9	35%	0.345	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.4	176.8	-63.4	0	0	0	0	110.7	T49 I50 C51	T49-V74 PolarHBondContact O-N 3.35Å; I50-V74 HydrophobicContact CG1-CG2 4.21Å; C51-V74 PolarHBondContact N-O 3.04Å
75	V	97.3	Very high	91.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.5	171	-178.3	0	0	0	0	107.6	C51 L65 A66 L69 V100 V101 N102	C51-V75 HydrophobicContact CB-CG2 4.32Å; C51-V75 WeakPolarHBondContact O-CA 3.43Å; L65-V75 HydrophobicContact CB-CG2 4.02Å; A66-V75 HydrophobicContact CB-CG2 4.08Å; L69-V75 HydrophobicContact CD1-CG2 3.69Å; V75-V100 HydrophobicContact CG2-CG1 4.34Å; V75-V100 PolarHBondContact N-O 3.5Å; V75-V101 HydrophobicContact CB-CG2 4.42Å; V75-V101 CarbonylContact O-C 3.44Å; V75-V101 WeakPolarHBondContact O-CA 3.31Å; V75-N102 PolarHBondContact O-N 3.07Å
76	I	97.7	Very high	91.3	Very high	26 Å²	26	49 Å²	49	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.7	169.7	-56.5	169.9	0	0	0	106.5	I50 C51 V52 E53 N102 V104 L112 L116	I50-I76 HydrophobicContact CG2-CD1 4.42Å; C51-I76 PolarHBondContact O-N 2.65Å; V52-I76 CarbonylContact C-O 3.54Å; V52-I76 WeakPolarHBondContact CA-O 3.47Å; V52-I76 HydrophobicContact CG2-CB 4.35Å; E53-I76 PolarHBondContact N-O 3.45Å; I76-N102 WeakPolarHBondContact CA-O 3.42Å; I76-V104 HydrophobicContact CG2-CG2 4.12Å; I76-L112 HydrophobicContact CG2-CD1 3.58Å; I76-L112 HydrophobicContact CG2-CD2 4.13Å; I76-L116 HydrophobicContact CD1-CD1 3.67Å; I76-L116 HydrophobicContact CD1-CD2 4.12Å
77	C	97.4	Very high	91.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.4	-177.8	44	0	0	0	0	110.7	E53 C56 S62 T88 V101 N102 P103 V104	E53-C77 HydrophobicContact CB-CB 4.11Å; E53-C77 CarbonylContact O-C 3.43Å; E53-C77 VanDerWaalsContact O-CA 3.29Å; E53-C77 WeakPolarHBondContact O-CA 3.41Å; C56-C77 HydrophobicContact CB-CB 3.65Å; S62-C77 WeakPolarHBondContact OG-CB 3.39Å; S62-C77 PolarHBondContact OG-SG 2.91Å; C77-T88 HydrophobicContact CB-CG2 4.49Å; C77-T88 VanDerWaalsContact SG-CG2 3.52Å; C77-V101 VanDerWaalsContact SG-CG1 3.58Å; C77-N102 PolarHBondContact N-O 3.37Å; C77-P103 CarbonylContact O-C 3.55Å; C77-P103 VanDerWaalsContact O-CA 3.25Å; C77-P103 WeakPolarHBondContact O-CA 3.46Å; C77-P103 VanDerWaalsContact SG-CA 3.54Å; C77-V104 PolarHBondContact O-N 3.33Å
78	T	98.1	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.8	-175.2	66.5	0	0	0	0	111.7	E53 V54 G55 C56 V104 C106 L108 L112	E53-T78 PolarHBondContact O-N 3.49Å; V54-T78 WeakPolarHBondContact CA-OG1 3.33Å; G55-T78 WeakPolarHBondContact CA-O 3.32Å; G55-T78 PolarHBondContact N-O 3.11Å; C56-T78 PolarHBondContact N-O 3.1Å; T78-V104 VanDerWaalsContact CA-O 3.26Å; T78-V104 WeakPolarHBondContact CA-O 3.46Å; T78-V104 HydrophobicContact CG2-CB 4.39Å; T78-C106 VanDerWaalsContact CG2-SG 3.55Å; T78-L108 WeakPolarHBondContact CB-O 3.3Å; T78-L108 PolarHBondContact OG1-O 3.01Å; T78-L112 HydrophobicContact CG2-CD1 3.47Å; T78-L112 VanDerWaalsContact CG2-CD1 3.47Å; T78-L112 HydrophobicContact CG2-CG 4.27Å
79	D	97.3	Very high	91.9	Very high	20 Å²	20	48.3 Å²	48.3	11%	0.107	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	147.8	167.7	-150.2	-60.7	0	0	0	109.8	C56 G57 D81 S84 V104 C105 C106	C56-D79 PolarHBondContact N-OD2 3.27Å; G57-D79 PolarHBondContact N-OD2 3.12Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact OD1-N 3.42Å; D79-S84 WeakPolarHBondContact OD2-CB 3.1Å; D79-V104 PolarHBondContact N-O 3.15Å; D79-C105 CarbonylContact O-C 3.25Å; D79-C105 VanDerWaalsContact O-CA 3.23Å; D79-C105 WeakPolarHBondContact O-CA 3.1Å; D79-C106 CarbonylContact C-O 3.43Å; D79-C106 VanDerWaalsContact C-O 3.22Å; D79-C106 PolarHBondContact O-N 2.49Å; D79-C106 VanDerWaalsContact O-O 3.12Å
80	I	95.2	Very high	92.3	Very high	115 Å²	115	51 Å²	51	59%	0.59	27%	0.267	S	S	*	.	S	Bend	trans	-76.8	-26.1	175.3	-163.9	170.2	0	0	0	111	C106 D107	I80-C106 WeakPolarHBondContact CA-O 3.33Å; I80-C106 PolarHBondContact N-O 3.48Å; I80-D107 HydrophobicContact CD1-CB 4.19Å
81	D	93.1	Very high	93.1	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.273	24%	0.243	S	C	.	.	S	Bend	trans	-87.1	118.3	177.6	169.6	36.9	0	0	0	110.9	D79 V83 S84 A85	D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact OD1-N 3.42Å; D81-V83 PolarHBondContact O-N 3.16Å; D81-V83 PolarHBondContact OD1-N 3.31Å; D81-V83 WeakPolarHBondContact OD2-CB 3.4Å; D81-S84 PolarHBondContact O-N 3.41Å; D81-S84 WeakPolarHBondContact OD2-CB 3.42Å; D81-S84 PolarHBondContact OD2-N 3.23Å; D81-S84 PolarHBondContact OD2-OG 2.99Å; D81-A85 PolarHBondContact O-N 2.85Å; D81-A85 VanDerWaalsContact O-N 3.16Å
82	P	93.9	Very high	94.2	Very high	83 Å²	83	36.1 Å²	36.1	54%	0.539	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-26.3	178.6	26.1	-35.3	0	0	0	113	L86	P82-L86 PolarHBondContact O-N 3.07Å; P82-L86 VanDerWaalsContact O-N 3.12Å
83	V	92.8	Very high	94.9	Very high	48 Å²	48	35 Å²	35	29%	0.291	19%	0.188	S	C	.	.	H	α-helix	trans	-67.9	-47.9	176.4	-178.2	0	0	0	0	109.8	F18 V22 D81 A85 L86 V87	F18-V83 HydrophobicContact CB-CG1 4.36Å; F18-V83 HydrophobicContact CD1-CG1 4.05Å; F18-V83 HydrophobicContact CG-CG1 4.4Å; V22-V83 HydrophobicContact CG2-CG1 4.03Å; D81-V83 PolarHBondContact O-N 3.16Å; D81-V83 PolarHBondContact OD1-N 3.31Å; D81-V83 WeakPolarHBondContact OD2-CB 3.4Å; V83-A85 PolarHBondContact O-N 2.89Å; V83-L86 WeakPolarHBondContact O-CB 3.36Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-L86 VanDerWaalsContact O-N 3.1Å; V83-V87 HydrophobicContact CG1-CG2 4.41Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.41Å
84	S	94.2	Very high	95.1	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-43.1	174.8	-65.7	0	0	0	0	113.1	G57 D79 D81 L86 V87 T88	G57-S84 CarbonylContact O-C 3.54Å; D79-S84 WeakPolarHBondContact OD2-CB 3.1Å; D81-S84 PolarHBondContact O-N 3.41Å; D81-S84 WeakPolarHBondContact OD2-CB 3.42Å; D81-S84 PolarHBondContact OD2-N 3.23Å; D81-S84 PolarHBondContact OD2-OG 2.99Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.07Å; S84-V87 PolarHBondContact O-N 3.24Å; S84-T88 WeakPolarHBondContact O-CB 3.46Å; S84-T88 PolarHBondContact O-N 3.19Å; S84-T88 PolarHBondContact O-OG1 2.8Å
85	A	95.1	Very high	94.9	Very high	10 Å²	10	36 Å²	36	8%	0.083	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-41.2	174.3	0	0	0	0	0	112.3	D81 V83 T88 Y89 P103 C105	D81-A85 PolarHBondContact O-N 2.85Å; D81-A85 VanDerWaalsContact O-N 3.16Å; V83-A85 PolarHBondContact O-N 2.89Å; A85-T88 PolarHBondContact O-N 3.41Å; A85-Y89 PolarHBondContact O-N 2.96Å; A85-P103 HydrophobicContact CB-CB 4.32Å; A85-P103 WeakPolarHBondContact O-CB 3.35Å; A85-C105 HydrophobicContact CB-CB 4.4Å
86	L	94.3	Very high	94.7	Very high	77 Å²	77	45.1 Å²	45.1	40%	0.403	23%	0.23	S	C	.	.	H	α-helix	trans	-67.6	-41	176.4	179.8	62.1	0	0	0	112.3	F18 P82 V83 S84 T88 Y89 K90	F18-L86 HydrophobicContact CE1-CD2 4.26Å; F18-L86 HydrophobicContact CE2-CD2 4.08Å; F18-L86 HydrophobicContact CE2-CG 4.33Å; F18-L86 HydrophobicContact CZ-CD2 3.66Å; F18-L86 HydrophobicContact CZ-CG 4.4Å; P82-L86 PolarHBondContact O-N 3.07Å; P82-L86 VanDerWaalsContact O-N 3.12Å; V83-L86 WeakPolarHBondContact O-CB 3.36Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-L86 VanDerWaalsContact O-N 3.1Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.07Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.82Å; L86-Y89 WeakPolarHBondContact O-CB 3.46Å; L86-Y89 PolarHBondContact O-N 3.23Å; L86-K90 WeakPolarHBondContact O-CG 3.34Å; L86-K90 PolarHBondContact O-N 2.78Å
87	V	94.7	Very high	94.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-44.1	174.9	172.6	0	0	0	0	110.6	V14 F18 V22 V83 S84 Y89 K90 S91	V14-V87 HydrophobicContact CG1-CG1 4.27Å; F18-V87 HydrophobicContact CB-CG2 3.28Å; F18-V87 HydrophobicContact CD2-CG2 3.72Å; F18-V87 HydrophobicContact CG-CG2 3.68Å; V22-V87 HydrophobicContact CG2-CB 4.19Å; V22-V87 HydrophobicContact CG2-CG2 3.66Å; V83-V87 HydrophobicContact CG1-CG2 4.41Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.41Å; S84-V87 PolarHBondContact O-N 3.24Å; V87-Y89 VanDerWaalsContact C-N 3.31Å; V87-Y89 PolarHBondContact O-N 3.37Å; V87-K90 PolarHBondContact O-N 3.01Å; V87-S91 WeakPolarHBondContact O-CB 3.22Å; V87-S91 PolarHBondContact O-N 3.39Å; V87-S91 PolarHBondContact O-OG 3.25Å; V87-S91 VanDerWaalsContact O-OG 3.11Å
88	T	95.7	Very high	93.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-42.9	176.1	-63.3	0	0	0	0	111.4	C56 G57 G59 C77 S84 A85 L86 S92 V101 P103	C56-T88 HydrophobicContact CB-CG2 4.28Å; C56-T88 PolarHBondContact SG-OG1 3.05Å; G57-T88 PolarHBondContact O-OG1 3.06Å; G59-T88 WeakPolarHBondContact CA-OG1 3.42Å; G59-T88 PolarHBondContact N-OG1 3.05Å; C77-T88 HydrophobicContact CB-CG2 4.49Å; C77-T88 VanDerWaalsContact SG-CG2 3.52Å; S84-T88 WeakPolarHBondContact O-CB 3.46Å; S84-T88 PolarHBondContact O-N 3.19Å; S84-T88 PolarHBondContact O-OG1 2.8Å; A85-T88 PolarHBondContact O-N 3.41Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.82Å; T88-S92 WeakPolarHBondContact O-CB 3.44Å; T88-S92 PolarHBondContact O-N 2.82Å; T88-V101 HydrophobicContact CG2-CG1 4.15Å; T88-P103 HydrophobicContact CG2-CB 4.44Å; T88-P103 HydrophobicContact CG2-CG 3.92Å
89	Y	96	Very high	93.5	Very high	75 Å²	75	53 Å²	53	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-57.9	-50.4	173.2	177.4	-94.9	0	0	0	111.2	A85 L86 V87 S92 E93 H98	A85-Y89 PolarHBondContact O-N 2.96Å; L86-Y89 WeakPolarHBondContact O-CB 3.46Å; L86-Y89 PolarHBondContact O-N 3.23Å; V87-Y89 VanDerWaalsContact C-N 3.31Å; V87-Y89 PolarHBondContact O-N 3.37Å; Y89-S92 WeakPolarHBondContact O-CA 3.43Å; Y89-S92 WeakPolarHBondContact O-CB 3.48Å; Y89-S92 PolarHBondContact O-N 2.88Å; Y89-S92 VanDerWaalsContact O-N 3.1Å; Y89-S92 PolarHBondContact O-OG 3.27Å; Y89-E93 HydrophobicContact CD1-CG 4.41Å; Y89-E93 HydrophobicContact CE1-CG 3.88Å; Y89-E93 WeakPolarHBondContact CE1-OE1 3.06Å; Y89-E93 WeakPolarHBondContact CE1-OE2 3.34Å; Y89-E93 PolarHBondContact O-N 2.91Å; Y89-E93 PolarHBondContact OH-OE1 2.73Å; Y89-H98 AromaticContact CE2-CE1 3.99Å; Y89-H98 AromaticContact CE2-ND1 3.94Å
90	K	94.7	Very high	93.3	Very high	70 Å²	70	52.8 Å²	52.8	30%	0.304	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-42.7	-178.6	-70.3	-73.5	162.5	-157	0	112.9	A15 L86 V87 S92 E93 V94	A15-K90 HydrophobicContact CB-CB 3.52Å; L86-K90 WeakPolarHBondContact O-CG 3.34Å; L86-K90 PolarHBondContact O-N 2.78Å; V87-K90 PolarHBondContact O-N 3.01Å; K90-S92 PolarHBondContact O-N 2.85Å; K90-E93 IonicContact NZ-OE2 2.89Å; K90-E93 PolarHBondContact NZ-OE2 3.02Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-E93 VanDerWaalsContact O-N 3.16Å; K90-V94 WeakPolarHBondContact O-CG2 3.32Å; K90-V94 PolarHBondContact O-N 2.7Å
91	S	93.5	Very high	93.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-41	171.5	-67.4	0	0	0	0	110.1	A15 S58 V87 E93 V94 N95	A15-S91 PolarHBondContact N-OG 2.81Å; A15-S91 VanDerWaalsContact N-OG 3.09Å; S58-S91 WeakPolarHBondContact O-CB 3.38Å; S58-S91 PolarHBondContact O-OG 3.38Å; V87-S91 WeakPolarHBondContact O-CB 3.22Å; V87-S91 PolarHBondContact O-N 3.39Å; V87-S91 PolarHBondContact O-OG 3.25Å; V87-S91 VanDerWaalsContact O-OG 3.11Å; S91-E93 PolarHBondContact O-N 3.07Å; S91-V94 PolarHBondContact O-N 3.5Å; S91-N95 WeakPolarHBondContact O-CB 3.42Å; S91-N95 PolarHBondContact O-N 3.06Å; S91-N95 PolarHBondContact O-ND2 3.07Å
92	S	94.4	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-37.2	177.1	86.8	0	0	0	0	113.2	T88 Y89 K90 K96 C97 H98	T88-S92 WeakPolarHBondContact O-CB 3.44Å; T88-S92 PolarHBondContact O-N 2.82Å; Y89-S92 WeakPolarHBondContact O-CA 3.43Å; Y89-S92 WeakPolarHBondContact O-CB 3.48Å; Y89-S92 PolarHBondContact O-N 2.88Å; Y89-S92 VanDerWaalsContact O-N 3.1Å; Y89-S92 PolarHBondContact O-OG 3.27Å; K90-S92 PolarHBondContact O-N 2.85Å; S92-K96 PolarHBondContact O-N 3.46Å; S92-K96 VanDerWaalsContact O-N 3.11Å; S92-C97 PolarHBondContact O-N 3.12Å; S92-H98 PolarHBondContact O-N 3.36Å
93	E	94.3	Very high	93.7	Very high	79 Å²	79	45.7 Å²	45.7	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-64.5	-50.3	175.3	-66.6	-171.7	128	0	0	110.8	Y89 K90 S91 N95 K96	Y89-E93 HydrophobicContact CD1-CG 4.41Å; Y89-E93 HydrophobicContact CE1-CG 3.88Å; Y89-E93 WeakPolarHBondContact CE1-OE1 3.06Å; Y89-E93 WeakPolarHBondContact CE1-OE2 3.34Å; Y89-E93 PolarHBondContact O-N 2.91Å; Y89-E93 PolarHBondContact OH-OE1 2.73Å; K90-E93 IonicContact NZ-OE2 2.89Å; K90-E93 PolarHBondContact NZ-OE2 3.02Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-E93 VanDerWaalsContact O-N 3.16Å; S91-E93 PolarHBondContact O-N 3.07Å; E93-N95 VanDerWaalsContact C-N 3.26Å; E93-N95 PolarHBondContact O-N 3.2Å; E93-K96 PolarHBondContact O-N 2.84Å
94	V	92.5	Very high	94	Very high	83 Å²	83	45.5 Å²	45.5	50%	0.503	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-38.7	179.9	175.1	0	0	0	0	111.4	T13 K90 S91 K96	T13-V94 HydrophobicContact CG2-CG1 3.99Å; K90-V94 WeakPolarHBondContact O-CG2 3.32Å; K90-V94 PolarHBondContact O-N 2.7Å; S91-V94 PolarHBondContact O-N 3.5Å; V94-K96 VanDerWaalsContact C-N 3.31Å; V94-K96 PolarHBondContact O-N 3.06Å
95	N	91.6	Very high	94.1	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.059	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	6.6	179.3	-66.1	-67.8	0	0	0	114.1	I12 T13 C63 S91 E93 C97	I12-N95 WeakPolarHBondContact CA-OD1 3.46Å; I12-N95 WeakPolarHBondContact CG2-ND2 3.22Å; T13-N95 PolarHBondContact N-ND2 2.97Å; T13-N95 PolarHBondContact N-OD1 2.9Å; T13-N95 PolarHBondContact O-ND2 3.42Å; C63-N95 HydrophobicContact CB-CB 4.45Å; S91-N95 WeakPolarHBondContact O-CB 3.42Å; S91-N95 PolarHBondContact O-N 3.06Å; S91-N95 PolarHBondContact O-ND2 3.07Å; E93-N95 VanDerWaalsContact C-N 3.26Å; E93-N95 PolarHBondContact O-N 3.2Å; N95-C97 PolarHBondContact O-N 2.8Å; N95-C97 PolarHBondContact O-SG 2.86Å; N95-C97 VanDerWaalsContact O-SG 3.33Å
96	K	91.4	Very high	94.2	Very high	191 Å²	191	48.8 Å²	48.8	83%	0.83	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	36.2	-179.6	-53	-178.9	-179.5	-177.9	0	113.4	S92 E93 V94	S92-K96 PolarHBondContact O-N 3.46Å; S92-K96 VanDerWaalsContact O-N 3.11Å; E93-K96 PolarHBondContact O-N 2.84Å; V94-K96 VanDerWaalsContact C-N 3.31Å; V94-K96 PolarHBondContact O-N 3.06Å
97	C	92.5	Very high	94.3	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.041	25%	0.249	C	C	.	.			trans	-97.4	-11	178.7	-61.1	0	0	0	0	112.3	A66 R67 S92 N95 V100 V101	A66-C97 HydrophobicContact CB-CB 3.91Å; R67-C97 VanDerWaalsContact CG-SG 3.54Å; S92-C97 PolarHBondContact O-N 3.12Å; N95-C97 PolarHBondContact O-N 2.8Å; N95-C97 PolarHBondContact O-SG 2.86Å; N95-C97 VanDerWaalsContact O-SG 3.33Å; C97-V100 WeakPolarHBondContact O-CA 3.42Å; C97-V100 WeakPolarHBondContact O-CB 3.44Å; C97-V100 PolarHBondContact O-N 3.49Å; C97-V101 HydrophobicContact CB-CG2 3.75Å; C97-V101 PolarHBondContact O-N 3.33Å
98	H	86.4	Confident	94.4	Very high	91 Å²	91	48.3 Å²	48.3	42%	0.421	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	137	171.3	-168.8	70.8	0	0	0	110.3	Y89 S92	Y89-H98 AromaticContact CE2-CE1 3.99Å; Y89-H98 AromaticContact CE2-ND1 3.94Å; S92-H98 PolarHBondContact O-N 3.36Å
99	P	90	Very high	94.4	Very high	93 Å²	93	48.5 Å²	48.5	60%	0.604	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.5	16.1	9.1	38.6	-37	0	0	0	115.9	N102	P99-N102 PolarHBondContact O-ND2 3.2Å; P99-N102 VanDerWaalsContact O-ND2 3.09Å
100	V	93.8	Very high	94.3	Very high	16 Å²	16	49 Å²	49	10%	0.097	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-38.7	-178.4	179.2	0	0	0	0	111.5	A66 V75 C97 N102	A66-V100 HydrophobicContact CB-CB 4.22Å; A66-V100 HydrophobicContact CB-CG1 3.79Å; V75-V100 HydrophobicContact CG2-CG1 4.34Å; V75-V100 PolarHBondContact N-O 3.5Å; C97-V100 WeakPolarHBondContact O-CA 3.42Å; C97-V100 WeakPolarHBondContact O-CB 3.44Å; C97-V100 PolarHBondContact O-N 3.49Å; V100-N102 PolarHBondContact O-ND2 3.34Å
101	V	96.6	Very high	94.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127	177.9	179.6	0	0	0	0	110.9	A66 V75 C77 T88 C97 P103	A66-V101 HydrophobicContact CB-CG2 3.47Å; A66-V101 VanDerWaalsContact CB-CG2 3.47Å; V75-V101 HydrophobicContact CB-CG2 4.42Å; V75-V101 CarbonylContact O-C 3.44Å; V75-V101 WeakPolarHBondContact O-CA 3.31Å; C77-V101 VanDerWaalsContact SG-CG1 3.58Å; T88-V101 HydrophobicContact CG2-CG1 4.15Å; C97-V101 HydrophobicContact CB-CG2 3.75Å; C97-V101 PolarHBondContact O-N 3.33Å; V101-P103 HydrophobicContact CG1-CG 4.27Å
102	N	96.9	Very high	94.1	Very high	65 Å²	65	49 Å²	49	35%	0.348	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	89.6	-174	-67.2	-88.4	0	0	0	110.6	V75 I76 C77 P99 V100	V75-N102 PolarHBondContact O-N 3.07Å; I76-N102 WeakPolarHBondContact CA-O 3.42Å; C77-N102 PolarHBondContact N-O 3.37Å; P99-N102 PolarHBondContact O-ND2 3.2Å; P99-N102 VanDerWaalsContact O-ND2 3.09Å; V100-N102 PolarHBondContact O-ND2 3.34Å
103	P	97.3	Very high	93.6	Very high	34 Å²	34	50.8 Å²	50.8	22%	0.221	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	141.1	-179.8	-18.2	34	0	0	0	112.8	C77 A85 T88 V101	C77-P103 CarbonylContact O-C 3.55Å; C77-P103 VanDerWaalsContact O-CA 3.25Å; C77-P103 WeakPolarHBondContact O-CA 3.46Å; C77-P103 VanDerWaalsContact SG-CA 3.54Å; A85-P103 HydrophobicContact CB-CB 4.32Å; A85-P103 WeakPolarHBondContact O-CB 3.35Å; T88-P103 HydrophobicContact CG2-CB 4.44Å; T88-P103 HydrophobicContact CG2-CG 3.92Å; V101-P103 HydrophobicContact CG1-CG 4.27Å
104	V	97.7	Very high	93.3	Very high	45 Å²	45	54.6 Å²	54.6	27%	0.273	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	121.5	179.9	-178.8	0	0	0	0	109.3	I76 C77 T78 D79 C106 A111 L112	I76-V104 HydrophobicContact CG2-CG2 4.12Å; C77-V104 PolarHBondContact O-N 3.33Å; T78-V104 VanDerWaalsContact CA-O 3.26Å; T78-V104 WeakPolarHBondContact CA-O 3.46Å; T78-V104 HydrophobicContact CG2-CB 4.39Å; D79-V104 PolarHBondContact N-O 3.15Å; V104-C106 PolarHBondContact O-N 2.89Å; V104-A111 HydrophobicContact CG1-CB 4.26Å; V104-L112 HydrophobicContact CG2-CD2 4.5Å
105	C	97.5	Very high	93.3	Very high	69 Å²	69	60.9 Å²	60.9	47%	0.466	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	108.2	174.5	-172	0	0	0	0	109.8	D79 A85	D79-C105 CarbonylContact O-C 3.25Å; D79-C105 VanDerWaalsContact O-CA 3.23Å; D79-C105 WeakPolarHBondContact O-CA 3.1Å; A85-C105 HydrophobicContact CB-CB 4.4Å
106	C	97	Very high	93.3	Very high	15 Å²	15	61.2 Å²	61.2	10%	0.101	33%	0.328	C	S	.	.	S	Bend	trans	-162	162.3	175.4	64.8	0	0	0	0	112.8	T78 D79 I80 V104 L108 A111	T78-C106 VanDerWaalsContact CG2-SG 3.55Å; D79-C106 CarbonylContact C-O 3.43Å; D79-C106 VanDerWaalsContact C-O 3.22Å; D79-C106 PolarHBondContact O-N 2.49Å; D79-C106 VanDerWaalsContact O-O 3.12Å; I80-C106 WeakPolarHBondContact CA-O 3.33Å; I80-C106 PolarHBondContact N-O 3.48Å; V104-C106 PolarHBondContact O-N 2.89Å; C106-L108 PolarHBondContact O-N 3.46Å; C106-A111 HydrophobicContact CB-CB 3.56Å
107	D	96.4	Very high	93.4	Very high	51 Å²	51	57 Å²	57	27%	0.273	31%	0.311	S	S	.	.	S	Bend	trans	-73.3	116.4	170.8	-178.3	17.8	0	0	0	110.3	I80 I109 T110 R159	I80-D107 HydrophobicContact CD1-CB 4.19Å; D107-I109 PolarHBondContact O-N 3.21Å; D107-I109 VanDerWaalsContact O-N 3.09Å; D107-T110 WeakPolarHBondContact O-CB 3.31Å; D107-T110 WeakPolarHBondContact O-CG2 3.49Å; D107-T110 PolarHBondContact O-N 2.84Å; D107-T110 PolarHBondContact O-OG1 2.86Å; D107-R159 IonicContact OD1-CZ 2.59Å; D107-R159 IonicContact OD1-NH1 3.91Å; D107-R159 PolarHBondContact OD1-NH1 2.83Å; D107-R159 IonicContact OD1-NH2 2.74Å; D107-R159 IonicContact OD2-CZ 2.8Å; D107-R159 IonicContact OD2-NH1 3.68Å; D107-R159 IonicContact OD2-NH2 3.98Å; D107-R159 PolarHBondContact OD2-NH2 3.42Å
108	L	96.3	Very high	93.6	Very high	18 Å²	18	61.4 Å²	61.4	9%	0.094	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	-111.1	-177.4	-60.7	174.5	0	0	0	112.1	V54 T78 C106 F125 T156 R159 L160	V54-L108 HydrophobicContact CG1-CB 4.33Å; V54-L108 HydrophobicContact CG1-CD2 3.7Å; T78-L108 WeakPolarHBondContact CB-O 3.3Å; T78-L108 PolarHBondContact OG1-O 3.01Å; C106-L108 PolarHBondContact O-N 3.46Å; L108-F125 HydrophobicContact CD2-CE1 4.01Å; L108-F125 HydrophobicContact CD2-CZ 3.74Å; L108-T156 HydrophobicContact CD2-CG2 4.01Å; L108-R159 HydrophobicContact CD1-CB 3.7Å; L108-L160 HydrophobicContact CD1-CB 4.36Å; L108-L160 HydrophobicContact CD2-CB 4.4Å
109	I	95.4	Very high	94.1	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	11.4	-179.5	58.2	170.2	0	0	0	112.6	V52 V54 D107 A111 L112 S113 L160 V167	V52-I109 HydrophobicContact CG1-CG2 4.48Å; V54-I109 HydrophobicContact CG2-CG2 3.57Å; D107-I109 PolarHBondContact O-N 3.21Å; D107-I109 VanDerWaalsContact O-N 3.09Å; I109-A111 VanDerWaalsContact C-N 3.26Å; I109-A111 PolarHBondContact O-N 3.36Å; I109-A111 VanDerWaalsContact O-N 3.16Å; I109-L112 PolarHBondContact O-N 3.41Å; I109-S113 PolarHBondContact O-N 3.09Å; I109-S113 PolarHBondContact O-OG 2.92Å; I109-S113 VanDerWaalsContact O-OG 3.07Å; I109-L160 HydrophobicContact CB-CD1 4.49Å; I109-L160 HydrophobicContact CD1-CD1 3.83Å; I109-L160 HydrophobicContact CG1-CD1 3.87Å; I109-L160 HydrophobicContact CG2-CD1 3.86Å; I109-V167 HydrophobicContact CD1-CG1 3.86Å; I109-V167 HydrophobicContact CD1-CG2 3.79Å
110	T	94.6	Very high	94.5	Very high	86 Å²	86	55.1 Å²	55.1	53%	0.528	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.3	-169.7	51.6	0	0	0	0	113.8	D107 L112	D107-T110 WeakPolarHBondContact O-CB 3.31Å; D107-T110 WeakPolarHBondContact O-CG2 3.49Å; D107-T110 PolarHBondContact O-N 2.84Å; D107-T110 PolarHBondContact O-OG1 2.86Å; T110-L112 VanDerWaalsContact C-N 3.28Å; T110-L112 PolarHBondContact O-N 2.77Å
111	A	93	Very high	94.6	Very high	56 Å²	56	56 Å²	56	46%	0.463	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.7	177.4	0	0	0	0	0	114.1	V104 C106 I109	V104-A111 HydrophobicContact CG1-CB 4.26Å; C106-A111 HydrophobicContact CB-CB 3.56Å; I109-A111 VanDerWaalsContact C-N 3.26Å; I109-A111 PolarHBondContact O-N 3.36Å; I109-A111 VanDerWaalsContact O-N 3.16Å
112	L	90.1	Very high	94.7	Very high	15 Å²	15	56 Å²	56	8%	0.079	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-23.4	-171.8	-57.1	-178.8	0	0	0	113.3	V52 I76 T78 V104 I109 T110 D114 R115 L116	V52-L112 HydrophobicContact CG1-CD1 4.3Å; I76-L112 HydrophobicContact CG2-CD1 3.58Å; I76-L112 HydrophobicContact CG2-CD2 4.13Å; T78-L112 HydrophobicContact CG2-CD1 3.47Å; T78-L112 VanDerWaalsContact CG2-CD1 3.47Å; T78-L112 HydrophobicContact CG2-CG 4.27Å; V104-L112 HydrophobicContact CG2-CD2 4.5Å; I109-L112 PolarHBondContact O-N 3.41Å; T110-L112 VanDerWaalsContact C-N 3.28Å; T110-L112 PolarHBondContact O-N 2.77Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-D114 PolarHBondContact O-N 3.43Å; L112-D114 VanDerWaalsContact O-N 3.16Å; L112-R115 PolarHBondContact O-N 2.71Å; L112-L116 HydrophobicContact CB-CD1 3.83Å; L112-L116 HydrophobicContact CB-CG 4.2Å; L112-L116 HydrophobicContact CD1-CD1 3.97Å; L112-L116 HydrophobicContact CD2-CD1 4.4Å; L112-L116 HydrophobicContact CG-CD1 4.29Å; L112-L116 PolarHBondContact O-N 2.9Å
113	S	84.4	Confident	94.8	Very high	37 Å²	37	52.9 Å²	52.9	26%	0.259	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-45.5	-169.7	-61	0	0	0	0	114.5	I109 H117	I109-S113 PolarHBondContact O-N 3.09Å; I109-S113 PolarHBondContact O-OG 2.92Å; I109-S113 VanDerWaalsContact O-OG 3.07Å; S113-H117 PolarHBondContact O-N 3.42Å
114	D	88	Confident	94.8	Very high	159 Å²	159	51.2 Å²	51.2	85%	0.85	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-35.6	-178	-64.3	-25	0	0	0	112.3	L112	L112-D114 VanDerWaalsContact C-N 3.32Å; L112-D114 PolarHBondContact O-N 3.43Å; L112-D114 VanDerWaalsContact O-N 3.16Å
115	R	91.5	Very high	94.8	Very high	215 Å²	215	49.3 Å²	49.3	81%	0.811	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-27.3	-174	-67.5	-177.5	65.2	-164.3	-1.5	113.3	L112	L112-R115 PolarHBondContact O-N 2.71Å
116	L	93.2	Very high	94.7	Very high	18 Å²	18	47.1 Å²	47.1	9%	0.094	25%	0.247	C	C	.	.	S	Bend	trans	-108.9	20.6	-178.2	-58	-174.3	0	0	0	112.3	I50 V52 I76 L112 H118 C119 V120 V167	I50-L116 HydrophobicContact CG2-CD2 4.48Å; V52-L116 HydrophobicContact CG2-CD1 3.93Å; I76-L116 HydrophobicContact CD1-CD1 3.67Å; I76-L116 HydrophobicContact CD1-CD2 4.12Å; L112-L116 HydrophobicContact CB-CD1 3.83Å; L112-L116 HydrophobicContact CB-CG 4.2Å; L112-L116 HydrophobicContact CD1-CD1 3.97Å; L112-L116 HydrophobicContact CD2-CD1 4.4Å; L112-L116 HydrophobicContact CG-CD1 4.29Å; L112-L116 PolarHBondContact O-N 2.9Å; L116-H118 PolarHBondContact O-N 3.48Å; L116-H118 VanDerWaalsContact O-N 3.12Å; L116-C119 PolarHBondContact O-N 2.91Å; L116-V120 HydrophobicContact CB-CG2 4.02Å; L116-V120 HydrophobicContact CD1-CG2 4.11Å; L116-V167 VanDerWaalsContact O-O 3.11Å
117	H	93.9	Very high	94.7	Very high	102 Å²	102	46.6 Å²	46.6	47%	0.472	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	118.1	179.9	-174	-109.9	0	0	0	110.8	S113 C119 N166	S113-H117 PolarHBondContact O-N 3.42Å; H117-C119 PolarHBondContact O-N 3.23Å; H117-C119 PolarHBondContact O-SG 3.07Å; H117-N166 WeakPolarHBondContact CA-O 3.36Å; H117-N166 PolarHBondContact CD2-O 2.88Å
118	H	96	Very high	94.5	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.458	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	30.3	-173.6	-59.2	-52.4	0	0	0	116.2	L116 H165 N166 V167 L168 S169	L116-H118 PolarHBondContact O-N 3.48Å; L116-H118 VanDerWaalsContact O-N 3.12Å; H118-H165 PolarHBondContact CE1-O 2.97Å; H118-H165 VanDerWaalsContact CE1-O 3.27Å; H118-H165 PolarHBondContact ND1-O 3.02Å; H118-N166 PolarHBondContact N-O 3.24Å; H118-V167 CarbonylContact C-O 3.48Å; H118-V167 WeakPolarHBondContact CA-O 3.47Å; H118-V167 PolarHBondContact N-O 2.88Å; H118-L168 WeakPolarHBondContact CA-O 3.25Å; H118-L168 PolarHBondContact ND1-O 3.43Å; H118-L168 VanDerWaalsContact ND1-O 3.16Å; H118-S169 WeakPolarHBondContact O-CA 3.31Å; H118-S169 WeakPolarHBondContact O-CB 3.46Å
119	C	97.2	Very high	94.2	Very high	51 Å²	51	46.6 Å²	46.6	35%	0.345	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-13.7	-178	-63.7	0	0	0	0	114.3	I50 L116 H117 D121 V167	I50-C119 WeakPolarHBondContact CB-O 3.35Å; I50-C119 HydrophobicContact CD1-CB 3.97Å; L116-C119 PolarHBondContact O-N 2.91Å; H117-C119 PolarHBondContact O-N 3.23Å; H117-C119 PolarHBondContact O-SG 3.07Å; C119-D121 PolarHBondContact O-N 3.13Å; C119-V167 PolarHBondContact N-O 3.33Å
120	V	97.6	Very high	93.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.4	-173.4	-179.6	0	0	0	0	110.7	I50 V52 L116 L123 V167 L168 S169	I50-V120 HydrophobicContact CG2-CG2 4.33Å; V52-V120 HydrophobicContact CB-CG1 3.95Å; V52-V120 HydrophobicContact CB-CG2 4.48Å; V52-V120 HydrophobicContact CG2-CB 4.3Å; V52-V120 HydrophobicContact CG2-CG1 3.71Å; V52-V120 HydrophobicContact CG2-CG2 3.56Å; L116-V120 HydrophobicContact CB-CG2 4.02Å; L116-V120 HydrophobicContact CD1-CG2 4.11Å; V120-L123 HydrophobicContact CG1-CB 4.14Å; V120-V167 WeakPolarHBondContact CB-O 3.36Å; V120-V167 HydrophobicContact CG2-CB 3.91Å; V120-V167 HydrophobicContact CG2-CG2 4.3Å; V120-V167 PolarHBondContact N-O 3.2Å; V120-L168 WeakPolarHBondContact O-CA 3.43Å; V120-S169 PolarHBondContact O-N 3.04Å; V120-S169 PolarHBondContact O-OG 3.05Å
121	D	97.2	Very high	93.3	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-29	-179.7	-58.2	-46	0	0	0	112.4	P48 T49 I50 C119 S169 G172 L173	P48-D121 HydrophobicContact CB-CB 3.74Å; T49-D121 PolarHBondContact N-OD2 2.79Å; T49-D121 PolarHBondContact OG1-OD2 3.21Å; I50-D121 PolarHBondContact N-OD2 3.43Å; I50-D121 VanDerWaalsContact N-OD2 3.1Å; I50-D121 PolarHBondContact O-N 2.95Å; C119-D121 PolarHBondContact O-N 3.13Å; D121-S169 PolarHBondContact OD1-OG 3.15Å; D121-G172 WeakPolarHBondContact O-CA 3.37Å; D121-L173 PolarHBondContact O-N 3.32Å
122	L	97.6	Very high	92.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	112.1	177.8	-178.7	64.7	0	0	0	110.1	L36 W40 I43 I50 C51 V52 L65 V124 L173 Y175	L36-L122 HydrophobicContact CD2-CD1 4.16Å; L36-L122 HydrophobicContact CD2-CD2 4.14Å; W40-L122 HydrophobicContact CZ3-CD2 4.49Å; I43-L122 HydrophobicContact CG2-CD2 4.43Å; I50-L122 PolarHBondContact O-N 2.79Å; C51-L122 CarbonylContact C-O 3.38Å; C51-L122 VanDerWaalsContact CA-O 3.25Å; C51-L122 WeakPolarHBondContact CA-O 3.46Å; C51-L122 HydrophobicContact CB-CB 4.25Å; V52-L122 PolarHBondContact N-O 3.09Å; L65-L122 HydrophobicContact CD2-CD2 3.71Å; L122-V124 HydrophobicContact CD1-CG1 4.17Å; L122-V124 HydrophobicContact CD2-CG1 4.34Å; L122-V124 HydrophobicContact CG-CG1 3.93Å; L122-L173 HydrophobicContact CD1-CB 3.97Å; L122-Y175 HydrophobicContact CD1-CD2 3.71Å; L122-Y175 HydrophobicContact CD1-CE2 3.84Å
123	L	98.1	Very high	91.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.8	171.4	-175.5	63.8	0	0	0	108.8	V52 V54 V120 L160 A164 V167 L168 L173 F174 Y175	V52-L123 HydrophobicContact CB-CD1 3.78Å; V52-L123 HydrophobicContact CG1-CD1 3.77Å; V52-L123 CarbonylContact O-C 3.6Å; V52-L123 WeakPolarHBondContact O-CA 3.47Å; V54-L123 HydrophobicContact CG2-CD1 3.91Å; V120-L123 HydrophobicContact CG1-CB 4.14Å; L123-L160 HydrophobicContact CD2-CD2 4.48Å; L123-A164 HydrophobicContact CD2-CB 3.84Å; L123-V167 HydrophobicContact CD2-CG2 4.44Å; L123-L168 HydrophobicContact CB-CD2 3.76Å; L123-L173 PolarHBondContact N-O 2.61Å; L123-F174 HydrophobicContact CB-CB 4.41Å; L123-F174 HydrophobicContact CB-CD2 3.85Å; L123-F174 HydrophobicContact CB-CG 4.43Å; L123-F174 HydrophobicContact CD2-CD2 3.66Å; L123-F174 HydrophobicContact CD2-CE2 3.89Å; L123-F174 HydrophobicContact CD2-CG 4.07Å; L123-F174 HydrophobicContact CD2-CZ 4.46Å; L123-F174 HydrophobicContact CG-CD2 3.59Å; L123-F174 HydrophobicContact CG-CE2 3.9Å; L123-F174 HydrophobicContact CG-CG 4.39Å; L123-F174 CarbonylContact O-C 3.47Å; L123-F174 VanDerWaalsContact O-CA 3.31Å; L123-F174 WeakPolarHBondContact O-CA 3.43Å; L123-Y175 PolarHBondContact O-N 2.92Å
124	V	98.2	Very high	90.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139	177.5	-53.2	0	0	0	0	110.2	L32 L36 V52 E53 V54 V61 L65 L122 Y175	L32-V124 HydrophobicContact CD2-CB 4.31Å; L36-V124 HydrophobicContact CD1-CG1 4.24Å; L36-V124 HydrophobicContact CD2-CG1 3.99Å; V52-V124 PolarHBondContact O-N 2.88Å; E53-V124 CarbonylContact C-O 3.48Å; E53-V124 WeakPolarHBondContact CA-O 3.35Å; E53-V124 HydrophobicContact CB-CG2 3.57Å; E53-V124 HydrophobicContact CG-CG2 3.85Å; V54-V124 PolarHBondContact N-O 3Å; V61-V124 HydrophobicContact CG1-CG2 4.12Å; L65-V124 HydrophobicContact CD1-CG1 4.4Å; L65-V124 HydrophobicContact CD1-CG2 4.04Å; L122-V124 HydrophobicContact CD1-CG1 4.17Å; L122-V124 HydrophobicContact CD2-CG1 4.34Å; L122-V124 HydrophobicContact CG-CG1 3.93Å; V124-Y175 CarbonylContact C-O 3.54Å; V124-Y175 WeakPolarHBondContact CA-O 3.41Å
125	F	98	Very high	89.3	Confident	5 Å²	5	60.7 Å²	60.7	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	123.5	178.6	-172.2	-161.3	0	0	0	111.2	V54 L108 P127 T156 L160 F174 Y175 L176 V177	V54-F125 HydrophobicContact CB-CB 4.3Å; V54-F125 HydrophobicContact CB-CD2 3.82Å; V54-F125 HydrophobicContact CB-CE2 4.21Å; V54-F125 HydrophobicContact CB-CG 4.07Å; V54-F125 HydrophobicContact CG1-CD2 3.95Å; V54-F125 HydrophobicContact CG1-CE2 3.8Å; V54-F125 HydrophobicContact CG1-CG 4.36Å; V54-F125 HydrophobicContact CG1-CZ 4.1Å; V54-F125 WeakPolarHBondContact O-CD2 3.37Å; L108-F125 HydrophobicContact CD2-CE1 4.01Å; L108-F125 HydrophobicContact CD2-CZ 3.74Å; F125-P127 HydrophobicContact CD1-CB 3.98Å; F125-P127 HydrophobicContact CD1-CG 4.35Å; F125-P127 HydrophobicContact CD2-CB 4.22Å; F125-P127 HydrophobicContact CE1-CB 3.58Å; F125-P127 HydrophobicContact CE1-CG 4.4Å; F125-P127 VanDerWaalsContact CE2-CA 3.45Å; F125-P127 HydrophobicContact CE2-CB 3.83Å; F125-P127 HydrophobicContact CG-CB 4.34Å; F125-P127 HydrophobicContact CZ-CB 3.51Å; F125-P127 VanDerWaalsContact O-CD 3.29Å; F125-P127 WeakPolarHBondContact O-CD 3.45Å; F125-T156 HydrophobicContact CE1-CG2 4.35Å; F125-T156 HydrophobicContact CZ-CG2 3.89Å; F125-L160 HydrophobicContact CB-CD2 3.83Å; F125-L160 HydrophobicContact CD1-CB 4.16Å; F125-L160 HydrophobicContact CD1-CD2 3.28Å; F125-L160 HydrophobicContact CD1-CG 4.33Å; F125-L160 HydrophobicContact CE1-CB 4.08Å; F125-L160 HydrophobicContact CE1-CD2 3.87Å; F125-L160 HydrophobicContact CG-CD2 3.74Å; F125-F174 HydrophobicContact CB-CE2 3.96Å; F125-F174 HydrophobicContact CB-CZ 4.44Å; F125-Y175 PolarHBondContact N-O 2.87Å; F125-L176 HydrophobicContact CB-CD1 3.87Å; F125-L176 HydrophobicContact CD1-CD1 3.56Å; F125-L176 HydrophobicContact CG-CD1 3.97Å; F125-L176 WeakPolarHBondContact O-CA 3.32Å; F125-V177 PolarHBondContact O-N 3.41Å
126	N	95.9	Very high	88.1	Confident	23 Å²	23	53.4 Å²	53.4	12%	0.123	27%	0.267	C	S	.	.			trans	-105.6	85.5	163.3	-175.6	30	0	0	0	108.9	D28 L32 V177	D28-N126 PolarHBondContact OD2-ND2 3.21Å; D28-N126 PolarHBondContact OD2-OD1 3.09Å; L32-N126 HydrophobicContact CD2-CB 4.07Å; N126-V177 HydrophobicContact CB-CB 4.47Å; N126-V177 HydrophobicContact CB-CG2 4.09Å; N126-V177 WeakPolarHBondContact OD1-CB 3.42Å; N126-V177 WeakPolarHBondContact OD1-CG1 3.45Å; N126-V177 WeakPolarHBondContact OD1-CG2 3.22Å
127	P	95.3	Very high	86.9	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.026	29%	0.285	C	S	.	.			trans	-70.4	159.7	-174.6	30.6	-37.7	0	0	0	112.1	F125 Y129 A157 L176 V177	F125-P127 HydrophobicContact CD1-CB 3.98Å; F125-P127 HydrophobicContact CD1-CG 4.35Å; F125-P127 HydrophobicContact CD2-CB 4.22Å; F125-P127 HydrophobicContact CE1-CB 3.58Å; F125-P127 HydrophobicContact CE1-CG 4.4Å; F125-P127 VanDerWaalsContact CE2-CA 3.45Å; F125-P127 HydrophobicContact CE2-CB 3.83Å; F125-P127 HydrophobicContact CG-CB 4.34Å; F125-P127 HydrophobicContact CZ-CB 3.51Å; F125-P127 VanDerWaalsContact O-CD 3.29Å; F125-P127 WeakPolarHBondContact O-CD 3.45Å; P127-Y129 WeakPolarHBondContact O-CD1 3.29Å; P127-Y129 PolarHBondContact O-N 3.01Å; P127-A157 HydrophobicContact CB-CB 4.23Å; P127-A157 HydrophobicContact CG-CB 4.09Å; P127-L176 HydrophobicContact CG-CD1 3.83Å; P127-V177 VanDerWaalsContact CD-O 3.28Å; P127-V177 WeakPolarHBondContact CD-O 3.24Å; P127-V177 VanDerWaalsContact CG-O 3.24Å; P127-V177 WeakPolarHBondContact CG-O 3.28Å
128	P	93	Very high	85.6	Confident	23 Å²	23	56.2 Å²	56.2	15%	0.149	29%	0.292	C	S	.	.			trans	-59.2	131	153.1	27.9	-33.5	0	0	0	109.1	T145 W146 G148 T156	P128-T145 WeakPolarHBondContact CB-O 3.44Å; P128-W146 VanDerWaalsContact CB-C 3.47Å; P128-G148 WeakPolarHBondContact O-CA 3.31Å; P128-T156 HydrophobicContact CG-CG2 4.34Å
129	Y	90.5	Very high	84.4	Confident	46 Å²	46	56.8 Å²	56.8	18%	0.18	30%	0.303	C	S	.	.			trans	-129.4	-4.2	-171.9	52.2	-107.2	0	0	0	114.5	D28 P127 W146 G153 V179 N182	D28-Y129 HydrophobicContact CB-CE1 4.16Å; P127-Y129 WeakPolarHBondContact O-CD1 3.29Å; P127-Y129 PolarHBondContact O-N 3.01Å; Y129-W146 PolarHBondContact N-O 2.87Å; Y129-W146 VanDerWaalsContact N-O 3.14Å; Y129-G153 CarbonylContact C-O 3.52Å; Y129-G153 WeakPolarHBondContact CA-O 3.33Å; Y129-V179 HydrophobicContact CD2-CB 4.47Å; Y129-V179 HydrophobicContact CD2-CG1 3.76Å; Y129-V179 HydrophobicContact CD2-CG2 3.82Å; Y129-V179 HydrophobicContact CE2-CG1 3.8Å; Y129-V179 HydrophobicContact CG-CG1 4.3Å; Y129-V179 HydrophobicContact CG-CG2 4.37Å; Y129-N182 WeakPolarHBondContact CB-OD1 3.39Å; Y129-N182 PolarHBondContact O-ND2 3.25Å
130	L	87.2	Confident	83.3	Confident	48 Å²	48	58.3 Å²	58.3	25%	0.251	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-76.8	134.3	-179.9	-62.2	-179.4	0	0	0	110.9	F136 W146 C147 G148	L130-F136 HydrophobicContact CD1-CE1 4.38Å; L130-F136 HydrophobicContact CD1-CZ 4.2Å; L130-W146 WeakPolarHBondContact CA-O 3.31Å; L130-W146 VanDerWaalsContact CB-O 3.23Å; L130-W146 WeakPolarHBondContact CB-O 3.42Å; L130-W146 HydrophobicContact CD1-CB 3.92Å; L130-W146 HydrophobicContact CD1-CD2 4.23Å; L130-W146 HydrophobicContact CD1-CE3 4.21Å; L130-W146 HydrophobicContact CD1-CG 4.1Å; L130-W146 HydrophobicContact CG-CB 4.4Å; L130-W146 PolarHBondContact N-O 3.11Å; L130-C147 WeakPolarHBondContact O-CA 3.48Å; L130-G148 PolarHBondContact O-N 3.49Å
131	P	82.9	Confident	82	Confident	21 Å²	21	64 Å²	64	14%	0.136	34%	0.342	C	S	.	.			trans	-61.3	144.4	169	-21.7	31.5	0	0	0	111.9	K133 F136 P151	P131-K133 PolarHBondContact O-N 3.43Å; P131-F136 WeakPolarHBondContact O-CE2 3.48Å; P131-P151 WeakPolarHBondContact CB-O 3.42Å
132	H	73.8	Confident	81.2	Confident	117 Å²	117	63.9 Å²	63.9	54%	0.542	34%	0.341	S	S	.	.			trans	-73.8	93.7	171.1	-172.3	-71.5	0	0	0	110.2
133	K	70	Confident	80	Confident	133 Å²	133	64.4 Å²	64.4	58%	0.578	35%	0.345	S	S	*	.			trans	-82.6	147.9	169.6	-55.9	-179.6	179.3	177.6	0	110.5	P131 D135 F136	P131-K133 PolarHBondContact O-N 3.43Å; K133-D135 PolarHBondContact O-N 3.47Å; K133-D135 VanDerWaalsContact O-N 3.13Å; K133-F136 HydrophobicContact CB-CD2 3.58Å; K133-F136 HydrophobicContact CB-CE2 3.81Å; K133-F136 HydrophobicContact CD-CE2 4.05Å; K133-F136 HydrophobicContact CG-CD2 4.15Å; K133-F136 HydrophobicContact CG-CE2 3.87Å; K133-F136 WeakPolarHBondContact O-CB 3.18Å; K133-F136 PolarHBondContact O-N 2.69Å
134	L	63.4	Low	79.1	Confident	171 Å²	171	75 Å²	75	90%	0.895	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.8	-179.3	-75.3	159.9	0	0	0	113.3	F136	L134-F136 VanDerWaalsContact C-N 3.33Å
135	D	65.3	Low	78.1	Confident	163 Å²	163	77.4 Å²	77.4	87%	0.872	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.2	-177.6	-54.5	-32.3	0	0	0	113.6	K133 D137	K133-D135 PolarHBondContact O-N 3.47Å; K133-D135 VanDerWaalsContact O-N 3.13Å; D135-D137 PolarHBondContact O-N 2.84Å
136	F	66.5	Low	77.3	Confident	63 Å²	63	81.5 Å²	81.5	28%	0.276	42%	0.415	S	S	.	.	S	Bend	trans	-73.2	130.2	176.1	-87	-77.9	0	0	0	110.9	L130 P131 K133 L134 S138	L130-F136 HydrophobicContact CD1-CE1 4.38Å; L130-F136 HydrophobicContact CD1-CZ 4.2Å; P131-F136 WeakPolarHBondContact O-CE2 3.48Å; K133-F136 HydrophobicContact CB-CD2 3.58Å; K133-F136 HydrophobicContact CB-CE2 3.81Å; K133-F136 HydrophobicContact CD-CE2 4.05Å; K133-F136 HydrophobicContact CG-CD2 4.15Å; K133-F136 HydrophobicContact CG-CE2 3.87Å; K133-F136 WeakPolarHBondContact O-CB 3.18Å; K133-F136 PolarHBondContact O-N 2.69Å; L134-F136 VanDerWaalsContact C-N 3.33Å; F136-S138 VanDerWaalsContact C-N 3.3Å; F136-S138 PolarHBondContact O-N 2.78Å
137	D	67.6	Low	76.7	Confident	90 Å²	90	81.7 Å²	81.7	48%	0.481	42%	0.418	S	S	.	.			trans	-70.4	88.4	170.4	-175.1	7.7	0	0	0	110.4	D135 T139 H140	D135-D137 PolarHBondContact O-N 2.84Å; D137-T139 VanDerWaalsContact CG-OG1 3.28Å; D137-T139 PolarHBondContact O-N 2.74Å; D137-T139 VanDerWaalsContact O-N 3.13Å; D137-T139 WeakPolarHBondContact OD1-CA 3.07Å; D137-T139 WeakPolarHBondContact OD1-CB 3.48Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.5Å; D137-T139 PolarHBondContact OD1-N 3.01Å; D137-T139 PolarHBondContact OD1-OG1 3.08Å; D137-T139 PolarHBondContact OD2-OG1 3.31Å; D137-H140 PolarHBondContact O-N 2.87Å
138	S	66.5	Low	76.2	Confident	88 Å²	88	81.5 Å²	81.5	62%	0.615	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.3	173.3	59.5	0	0	0	0	113.5	F136	F136-S138 VanDerWaalsContact C-N 3.3Å; F136-S138 PolarHBondContact O-N 2.78Å
139	T	71.2	Confident	75.8	Confident	111 Å²	111	81.5 Å²	81.5	68%	0.681	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.4	176	79.4	0	0	0	0	113	D137	D137-T139 VanDerWaalsContact CG-OG1 3.28Å; D137-T139 PolarHBondContact O-N 2.74Å; D137-T139 VanDerWaalsContact O-N 3.13Å; D137-T139 WeakPolarHBondContact OD1-CA 3.07Å; D137-T139 WeakPolarHBondContact OD1-CB 3.48Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.5Å; D137-T139 PolarHBondContact OD1-N 3.01Å; D137-T139 PolarHBondContact OD1-OG1 3.08Å; D137-T139 PolarHBondContact OD2-OG1 3.31Å
140	H	72.6	Confident	75.6	Confident	83 Å²	83	80.7 Å²	80.7	38%	0.384	43%	0.427	S	S	.	.	S	Bend	trans	-61.9	129.2	175.9	-168.5	-82.3	0	0	0	110	D137 L142 A143	D137-H140 PolarHBondContact O-N 2.87Å; H140-L142 PolarHBondContact ND1-N 2.77Å; H140-L142 VanDerWaalsContact ND1-N 3.16Å; H140-L142 PolarHBondContact O-N 3.25Å; H140-A143 HydrophobicContact CB-CB 4.17Å; H140-A143 WeakPolarHBondContact O-CA 3.1Å; H140-A143 WeakPolarHBondContact O-CB 3.42Å; H140-A143 PolarHBondContact O-N 3.38Å
141	P	71.6	Confident	75.5	Confident	119 Å²	119	84.6 Å²	84.6	77%	0.773	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.3	-176	-27.4	35	0	0	0	113.7	A143	P141-A143 PolarHBondContact O-N 2.91Å
142	L	79.5	Confident	75.9	Confident	33 Å²	33	84.7 Å²	84.7	17%	0.173	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	7.4	175.7	-52.4	179.4	0	0	0	113	S21 H140 R144 T145	S21-L142 VanDerWaalsContact O-CD2 3.32Å; S21-L142 WeakPolarHBondContact O-CD2 3.34Å; H140-L142 PolarHBondContact ND1-N 2.77Å; H140-L142 VanDerWaalsContact ND1-N 3.16Å; H140-L142 PolarHBondContact O-N 3.25Å; L142-R144 PolarHBondContact O-N 2.77Å; L142-T145 HydrophobicContact CB-CG2 4.2Å; L142-T145 HydrophobicContact CD2-CG2 4.22Å; L142-T145 PolarHBondContact O-N 3.22Å; L142-T145 PolarHBondContact O-OG1 3.32Å
143	A	73.7	Confident	76.7	Confident	11 Å²	11	79.1 Å²	79.1	9%	0.091	43%	0.429	C	S	.	.	H	α-helix	trans	-58.7	-22.1	-175.3	0	0	0	0	0	113.4	H140 P141 W146 C147	H140-A143 HydrophobicContact CB-CB 4.17Å; H140-A143 WeakPolarHBondContact O-CA 3.1Å; H140-A143 WeakPolarHBondContact O-CB 3.42Å; H140-A143 PolarHBondContact O-N 3.38Å; P141-A143 PolarHBondContact O-N 2.91Å; A143-W146 PolarHBondContact O-NE1 3.27Å; A143-C147 VanDerWaalsContact O-CB 3.31Å; A143-C147 WeakPolarHBondContact O-CB 3.47Å; A143-C147 PolarHBondContact O-SG 3.42Å; A143-C147 VanDerWaalsContact O-SG 3.37Å
144	R	77.4	Confident	77.9	Confident	223 Å²	223	72.9 Å²	72.9	84%	0.842	40%	0.402	S	S	*	.	H	α-helix	trans	-86	-14.6	178.3	-63	-177.9	-178.8	176.6	0.2	113.5	L142 W146	L142-R144 PolarHBondContact O-N 2.77Å; R144-W146 VanDerWaalsContact C-N 3.33Å
145	T	78.8	Confident	79.4	Confident	50 Å²	50	69.9 Å²	69.9	31%	0.307	38%	0.383	S	S	.	.	H	α-helix	trans	-77.8	-20.6	-179.6	69	0	0	0	0	112.6	P128 L142	P128-T145 WeakPolarHBondContact CB-O 3.44Å; L142-T145 HydrophobicContact CB-CG2 4.2Å; L142-T145 HydrophobicContact CD2-CG2 4.22Å; L142-T145 PolarHBondContact O-N 3.22Å; L142-T145 PolarHBondContact O-OG1 3.32Å
146	W	80.3	Confident	80.8	Confident	91 Å²	91	63.6 Å²	63.6	35%	0.345	35%	0.351	S	S	.	.	H	α-helix	trans	-115.7	-20.3	179.7	55.5	8	0	0	0	114.6	P128 Y129 L130 A143 R144	P128-W146 VanDerWaalsContact CB-C 3.47Å; Y129-W146 PolarHBondContact N-O 2.87Å; Y129-W146 VanDerWaalsContact N-O 3.14Å; L130-W146 WeakPolarHBondContact CA-O 3.31Å; L130-W146 VanDerWaalsContact CB-O 3.23Å; L130-W146 WeakPolarHBondContact CB-O 3.42Å; L130-W146 HydrophobicContact CD1-CB 3.92Å; L130-W146 HydrophobicContact CD1-CD2 4.23Å; L130-W146 HydrophobicContact CD1-CE3 4.21Å; L130-W146 HydrophobicContact CD1-CG 4.1Å; L130-W146 HydrophobicContact CG-CB 4.4Å; L130-W146 PolarHBondContact N-O 3.11Å; A143-W146 PolarHBondContact O-NE1 3.27Å; R144-W146 VanDerWaalsContact C-N 3.33Å
147	C	83.3	Confident	82.2	Confident	27 Å²	27	60.8 Å²	60.8	18%	0.182	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-93.3	108.7	-176.6	-71.7	0	0	0	0	111	L130 A143 G149	L130-C147 WeakPolarHBondContact O-CA 3.48Å; A143-C147 VanDerWaalsContact O-CB 3.31Å; A143-C147 WeakPolarHBondContact O-CB 3.47Å; A143-C147 PolarHBondContact O-SG 3.42Å; A143-C147 VanDerWaalsContact O-SG 3.37Å; C147-G149 PolarHBondContact O-N 3.07Å
148	G	84.6	Confident	83.6	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.01	33%	0.327	C	S	.	.			trans	-86.6	-4.6	-169.4	0	0	0	0	0	116.3	P128 L130 G153 E155 T156	P128-G148 WeakPolarHBondContact O-CA 3.31Å; L130-G148 PolarHBondContact O-N 3.49Å; G148-G153 CarbonylContact C-O 3.5Å; G148-G153 WeakPolarHBondContact CA-O 3.21Å; G148-E155 WeakPolarHBondContact O-CB 3.39Å; G148-E155 PolarHBondContact O-N 3.13Å; G148-T156 WeakPolarHBondContact O-CB 3.32Å; G148-T156 PolarHBondContact O-N 2.55Å; G148-T156 PolarHBondContact O-OG1 3.06Å
149	G	84.4	Confident	85.1	Confident	22 Å²	22	60.6 Å²	60.6	23%	0.227	32%	0.318	C	S	.	.	S	Bend	trans	86.6	157.9	-177.4	0	0	0	0	0	113.2	C147 G153 S154 E155	C147-G149 PolarHBondContact O-N 3.07Å; G149-G153 CarbonylContact O-C 3.5Å; G149-G153 WeakPolarHBondContact O-CA 3.02Å; G149-G153 PolarHBondContact O-N 2.85Å; G149-S154 PolarHBondContact O-N 2.9Å; G149-E155 VanDerWaalsContact C-CB 3.45Å; G149-E155 WeakPolarHBondContact O-CB 3.35Å; G149-E155 PolarHBondContact O-N 2.87Å
150	G	86.1	Confident	86.3	Confident	29 Å²	29	55.3 Å²	55.3	30%	0.299	29%	0.286	S	S	.	.	S	Bend	trans	71.3	176.3	-176	0	0	0	0	0	115.6	D152 G153 E155	G150-D152 VanDerWaalsContact C-N 3.29Å; G150-D152 PolarHBondContact O-N 2.96Å; G150-G153 PolarHBondContact O-N 3.21Å; G150-E155 PolarHBondContact N-OE2 3.31Å; G150-E155 VanDerWaalsContact N-OE2 3.11Å
151	P	86.9	Confident	87.5	Confident	131 Å²	131	51.7 Å²	51.7	85%	0.851	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.2	-176.8	29.5	-35.7	0	0	0	113.8	P131	P131-P151 WeakPolarHBondContact CB-O 3.42Å
152	D	90.5	Very high	88.6	Confident	23 Å²	23	49.1 Å²	49.1	12%	0.123	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	6.3	179.9	71.3	-4.2	0	0	0	112.5	G150 S154 R158 E181 N182 N183	G150-D152 VanDerWaalsContact C-N 3.29Å; G150-D152 PolarHBondContact O-N 2.96Å; D152-S154 PolarHBondContact O-N 2.8Å; D152-S154 WeakPolarHBondContact OD1-CB 3.44Å; D152-S154 PolarHBondContact OD1-N 3.41Å; D152-S154 VanDerWaalsContact OD1-N 3.08Å; D152-S154 PolarHBondContact OD1-OG 3.18Å; D152-S154 PolarHBondContact OD2-OG 3.21Å; D152-S154 VanDerWaalsContact OD2-OG 3.06Å; D152-R158 IonicContact OD2-CZ 2.7Å; D152-R158 IonicContact OD2-NE 2.69Å; D152-R158 IonicContact OD2-NH2 2.78Å; D152-R158 PolarHBondContact OD2-NH2 2.7Å; D152-E181 WeakPolarHBondContact CB-O 3.45Å; D152-N182 WeakPolarHBondContact O-CA 3.37Å; D152-N182 PolarHBondContact O-ND2 2.63Å; D152-N183 PolarHBondContact OD2-ND2 3.37Å
153	G	91.4	Very high	89.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	71.4	8.8	178.1	0	0	0	0	0	114.9	Y129 G148 G149 G150	Y129-G153 CarbonylContact C-O 3.52Å; Y129-G153 WeakPolarHBondContact CA-O 3.33Å; G148-G153 CarbonylContact C-O 3.5Å; G148-G153 WeakPolarHBondContact CA-O 3.21Å; G149-G153 CarbonylContact O-C 3.5Å; G149-G153 WeakPolarHBondContact O-CA 3.02Å; G149-G153 PolarHBondContact O-N 2.85Å; G150-G153 PolarHBondContact O-N 3.21Å
154	S	94.3	Very high	90.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	25%	0.253	C	S	.	.			trans	-104.5	2.6	-170.5	71.9	0	0	0	0	115	G149 D152 T156 A157 R158	G149-S154 PolarHBondContact O-N 2.9Å; D152-S154 PolarHBondContact O-N 2.8Å; D152-S154 WeakPolarHBondContact OD1-CB 3.44Å; D152-S154 PolarHBondContact OD1-N 3.41Å; D152-S154 VanDerWaalsContact OD1-N 3.08Å; D152-S154 PolarHBondContact OD1-OG 3.18Å; D152-S154 PolarHBondContact OD2-OG 3.21Å; D152-S154 VanDerWaalsContact OD2-OG 3.06Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 3.16Å; S154-A157 WeakPolarHBondContact O-CB 3.4Å; S154-A157 PolarHBondContact O-N 3.18Å; S154-A157 VanDerWaalsContact O-N 3.08Å; S154-R158 VanDerWaalsContact O-CG 3.31Å; S154-R158 WeakPolarHBondContact O-CG 3.21Å; S154-R158 PolarHBondContact O-N 3.39Å; S154-R158 PolarHBondContact OG-NE 3.22Å; S154-R158 PolarHBondContact OG-NH2 2.91Å
155	E	94.7	Very high	91.2	Very high	108 Å²	108	39.6 Å²	39.6	51%	0.505	22%	0.22	S	C	.	.	H	α-helix	trans	-54.6	-45.8	-172.9	-174.8	-176.3	157.8	0	0	112.9	G148 G149 G150 R158 R159	G148-E155 WeakPolarHBondContact O-CB 3.39Å; G148-E155 PolarHBondContact O-N 3.13Å; G149-E155 VanDerWaalsContact C-CB 3.45Å; G149-E155 WeakPolarHBondContact O-CB 3.35Å; G149-E155 PolarHBondContact O-N 2.87Å; G150-E155 PolarHBondContact N-OE2 3.31Å; G150-E155 VanDerWaalsContact N-OE2 3.11Å; E155-R158 PolarHBondContact O-N 3.43Å; E155-R159 WeakPolarHBondContact O-CG 3.31Å; E155-R159 PolarHBondContact O-N 3.05Å
156	T	94.8	Very high	91.9	Very high	32 Å²	32	40.3 Å²	40.3	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-43.6	177.9	-57.1	0	0	0	0	111.8	L108 F125 P128 G148 S154 R158 R159 L160	L108-T156 HydrophobicContact CD2-CG2 4.01Å; F125-T156 HydrophobicContact CE1-CG2 4.35Å; F125-T156 HydrophobicContact CZ-CG2 3.89Å; P128-T156 HydrophobicContact CG-CG2 4.34Å; G148-T156 WeakPolarHBondContact O-CB 3.32Å; G148-T156 PolarHBondContact O-N 2.55Å; G148-T156 PolarHBondContact O-OG1 3.06Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 3.16Å; T156-R158 PolarHBondContact O-N 3.4Å; T156-R159 PolarHBondContact O-N 2.68Å; T156-L160 PolarHBondContact O-N 3.05Å
157	A	96.4	Very high	92.7	Very high	4 Å²	4	36 Å²	36	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-44.3	175.7	0	0	0	0	0	111.4	P127 S154 R159 L160 I161 L176	P127-A157 HydrophobicContact CB-CB 4.23Å; P127-A157 HydrophobicContact CG-CB 4.09Å; S154-A157 WeakPolarHBondContact O-CB 3.4Å; S154-A157 PolarHBondContact O-N 3.18Å; S154-A157 VanDerWaalsContact O-N 3.08Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 3.18Å; A157-L160 PolarHBondContact O-N 3.32Å; A157-I161 WeakPolarHBondContact O-CD1 3.41Å; A157-I161 VanDerWaalsContact O-CG1 3.25Å; A157-I161 WeakPolarHBondContact O-CG1 2.96Å; A157-I161 PolarHBondContact O-N 2.9Å; A157-L176 HydrophobicContact CB-CD1 4.32Å; A157-L176 HydrophobicContact CB-CD2 4.34Å
158	R	96.9	Very high	93.3	Very high	61 Å²	61	35.2 Å²	35.2	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-39.2	177.8	-68.6	178.3	-174.4	-83.1	-3.9	112.6	D152 S154 E155 T156 I161 S162 L187 L190	D152-R158 IonicContact OD2-CZ 2.7Å; D152-R158 IonicContact OD2-NE 2.69Å; D152-R158 IonicContact OD2-NH2 2.78Å; D152-R158 PolarHBondContact OD2-NH2 2.7Å; S154-R158 VanDerWaalsContact O-CG 3.31Å; S154-R158 WeakPolarHBondContact O-CG 3.21Å; S154-R158 PolarHBondContact O-N 3.39Å; S154-R158 PolarHBondContact OG-NE 3.22Å; S154-R158 PolarHBondContact OG-NH2 2.91Å; E155-R158 PolarHBondContact O-N 3.43Å; T156-R158 PolarHBondContact O-N 3.4Å; R158-I161 PolarHBondContact O-N 3.18Å; R158-S162 WeakPolarHBondContact O-CB 3.37Å; R158-S162 PolarHBondContact O-N 2.68Å; R158-S162 PolarHBondContact O-OG 2.82Å; R158-L187 HydrophobicContact CG-CD2 3.65Å; R158-L190 HydrophobicContact CB-CD2 3.83Å; R158-L190 HydrophobicContact CG-CD2 3.74Å
159	R	96.8	Very high	93.9	Very high	113 Å²	113	36.2 Å²	36.2	43%	0.426	21%	0.206	S	C	.	.	H	α-helix	trans	-59.1	-47	175.8	-71.7	173	68.7	-147.3	-3	111.2	D107 L108 E155 T156 A157 C163	D107-R159 IonicContact OD1-CZ 2.59Å; D107-R159 IonicContact OD1-NH1 3.91Å; D107-R159 PolarHBondContact OD1-NH1 2.83Å; D107-R159 IonicContact OD1-NH2 2.74Å; D107-R159 IonicContact OD2-CZ 2.8Å; D107-R159 IonicContact OD2-NH1 3.68Å; D107-R159 IonicContact OD2-NH2 3.98Å; D107-R159 PolarHBondContact OD2-NH2 3.42Å; L108-R159 HydrophobicContact CD1-CB 3.7Å; E155-R159 WeakPolarHBondContact O-CG 3.31Å; E155-R159 PolarHBondContact O-N 3.05Å; T156-R159 PolarHBondContact O-N 2.68Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 3.18Å; R159-C163 PolarHBondContact O-SG 3.4Å; R159-C163 VanDerWaalsContact O-SG 3.35Å
160	L	97.2	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-46.4	177.7	-173.7	63.9	0	0	0	112.1	V54 L108 I109 L123 F125 T156 A157 S162 C163 A164 F174	V54-L160 HydrophobicContact CB-CD2 4.05Å; V54-L160 HydrophobicContact CG1-CD2 4.24Å; V54-L160 HydrophobicContact CG2-CD1 4.34Å; V54-L160 HydrophobicContact CG2-CD2 3.82Å; L108-L160 HydrophobicContact CD1-CB 4.36Å; L108-L160 HydrophobicContact CD2-CB 4.4Å; I109-L160 HydrophobicContact CB-CD1 4.49Å; I109-L160 HydrophobicContact CD1-CD1 3.83Å; I109-L160 HydrophobicContact CG1-CD1 3.87Å; I109-L160 HydrophobicContact CG2-CD1 3.86Å; L123-L160 HydrophobicContact CD2-CD2 4.48Å; F125-L160 HydrophobicContact CB-CD2 3.83Å; F125-L160 HydrophobicContact CD1-CB 4.16Å; F125-L160 HydrophobicContact CD1-CD2 3.28Å; F125-L160 HydrophobicContact CD1-CG 4.33Å; F125-L160 HydrophobicContact CE1-CB 4.08Å; F125-L160 HydrophobicContact CE1-CD2 3.87Å; F125-L160 HydrophobicContact CG-CD2 3.74Å; T156-L160 PolarHBondContact O-N 3.05Å; A157-L160 PolarHBondContact O-N 3.32Å; L160-S162 PolarHBondContact O-N 3.18Å; L160-C163 PolarHBondContact O-N 2.91Å; L160-C163 VanDerWaalsContact O-N 3.07Å; L160-C163 PolarHBondContact O-SG 3.21Å; L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.26Å; L160-F174 HydrophobicContact CD2-CE2 4Å; L160-F174 HydrophobicContact CD2-CZ 3.83Å; L160-F174 HydrophobicContact CG-CZ 4.2Å
161	I	97	Very high	94.4	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-54.2	-41.6	179	-67.3	159.7	0	0	0	110.7	A157 R158 C163 F174 L176 L187 L190 N191	A157-I161 WeakPolarHBondContact O-CD1 3.41Å; A157-I161 VanDerWaalsContact O-CG1 3.25Å; A157-I161 WeakPolarHBondContact O-CG1 2.96Å; A157-I161 PolarHBondContact O-N 2.9Å; R158-I161 PolarHBondContact O-N 3.18Å; I161-C163 VanDerWaalsContact C-N 3.26Å; I161-C163 PolarHBondContact O-N 3.26Å; I161-F174 HydrophobicContact CG1-CE1 3.95Å; I161-L176 HydrophobicContact CD1-CD2 3.66Å; I161-L176 HydrophobicContact CG1-CD2 3.97Å; I161-L187 HydrophobicContact CD1-CB 4.02Å; I161-L187 HydrophobicContact CD1-CD2 3.94Å; I161-L187 HydrophobicContact CD1-CG 4.4Å; I161-L190 HydrophobicContact CB-CD2 4.03Å; I161-L190 HydrophobicContact CD1-CD2 4.21Å; I161-L190 HydrophobicContact CG2-CB 3.96Å; I161-L190 HydrophobicContact CG2-CD2 3.84Å; I161-L190 HydrophobicContact CG2-CG 4.1Å; I161-N191 HydrophobicContact CG2-CB 3.82Å; I161-N191 PolarHBondContact O-ND2 3.24Å
162	S	95.8	Very high	94.8	Very high	65 Å²	65	42.1 Å²	42.1	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-31	-177.8	-60	0	0	0	0	113.2	R158 L160 H165 N191	R158-S162 WeakPolarHBondContact O-CB 3.37Å; R158-S162 PolarHBondContact O-N 2.68Å; R158-S162 PolarHBondContact O-OG 2.82Å; L160-S162 PolarHBondContact O-N 3.18Å; S162-H165 PolarHBondContact O-CE1 3.48Å; S162-H165 VanDerWaalsContact O-CE1 3.22Å; S162-H165 PolarHBondContact O-ND1 3.39Å; S162-N191 PolarHBondContact O-ND2 3.49Å
163	C	94.6	Very high	95.1	Very high	36 Å²	36	44.3 Å²	44.3	24%	0.243	24%	0.236	C	C	.	.	H	α-helix	trans	-112.7	-3.9	-177.1	64.6	0	0	0	0	115	R159 L160 I161 H165 N166	R159-C163 PolarHBondContact O-SG 3.4Å; R159-C163 VanDerWaalsContact O-SG 3.35Å; L160-C163 PolarHBondContact O-N 2.91Å; L160-C163 VanDerWaalsContact O-N 3.07Å; L160-C163 PolarHBondContact O-SG 3.21Å; I161-C163 VanDerWaalsContact C-N 3.26Å; I161-C163 PolarHBondContact O-N 3.26Å; C163-H165 VanDerWaalsContact C-N 3.31Å; C163-H165 PolarHBondContact O-N 3.37Å; C163-N166 VanDerWaalsContact O-CB 3.29Å; C163-N166 WeakPolarHBondContact O-CB 2.9Å; C163-N166 PolarHBondContact O-N 3.06Å
164	A	95.7	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.3	-39.7	-174.9	0	0	0	0	0	113.8	L123 L160 N166 V167 L168 F174 L194	L123-A164 HydrophobicContact CD2-CB 3.84Å; L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.26Å; A164-N166 PolarHBondContact O-N 3.31Å; A164-V167 VanDerWaalsContact O-CG2 3.29Å; A164-V167 WeakPolarHBondContact O-CG2 3.44Å; A164-V167 PolarHBondContact O-N 3.14Å; A164-V167 VanDerWaalsContact O-N 3.08Å; A164-L168 HydrophobicContact CB-CD1 4.17Å; A164-L168 WeakPolarHBondContact O-CG 3.44Å; A164-L168 PolarHBondContact O-N 3.22Å; A164-L168 VanDerWaalsContact O-N 3.08Å; A164-F174 HydrophobicContact CB-CD1 4.15Å; A164-F174 HydrophobicContact CB-CE1 4.22Å; A164-L194 HydrophobicContact CB-CD1 4.17Å
165	H	94	Very high	95.5	Very high	32 Å²	32	47.8 Å²	47.8	15%	0.148	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60	-17.1	177.1	68.9	-82.4	0	0	0	114.8	H118 S162 C163 N191 K193 L194	H118-H165 PolarHBondContact CE1-O 2.97Å; H118-H165 VanDerWaalsContact CE1-O 3.27Å; H118-H165 PolarHBondContact ND1-O 3.02Å; S162-H165 PolarHBondContact O-CE1 3.48Å; S162-H165 VanDerWaalsContact O-CE1 3.22Å; S162-H165 PolarHBondContact O-ND1 3.39Å; C163-H165 VanDerWaalsContact C-N 3.31Å; C163-H165 PolarHBondContact O-N 3.37Å; H165-N191 PolarHBondContact ND1-ND2 2.84Å; H165-K193 HydrophobicContact CB-CB 4.02Å; H165-K193 HydrophobicContact CB-CD 4.24Å; H165-K193 WeakPolarHBondContact CD2-CD 3.23Å; H165-K193 PolarHBondContact CD2-NZ 3.32Å; H165-K193 VanDerWaalsContact CD2-NZ 3.28Å; H165-K193 WeakPolarHBondContact NE2-CD 3.49Å; H165-K193 PolarHBondContact NE2-NZ 3.19Å; H165-L194 HydrophobicContact CB-CD2 4.11Å
166	N	94.6	Very high	95.6	Very high	64 Å²	64	45 Å²	45	34%	0.342	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-75.8	-29.2	177.3	-63.3	-26.4	0	0	0	111.8	H117 H118 C163 A164	H117-N166 WeakPolarHBondContact CA-O 3.36Å; H117-N166 PolarHBondContact CD2-O 2.88Å; H118-N166 PolarHBondContact N-O 3.24Å; C163-N166 VanDerWaalsContact O-CB 3.29Å; C163-N166 WeakPolarHBondContact O-CB 2.9Å; C163-N166 PolarHBondContact O-N 3.06Å; A164-N166 PolarHBondContact O-N 3.31Å
167	V	96.4	Very high	95.6	Very high	2 Å²	2	44 Å²	44	1%	0.012	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-28.6	-179.7	-65	0	0	0	0	112.6	I109 L116 H118 C119 V120 L123 A164 S169	I109-V167 HydrophobicContact CD1-CG1 3.86Å; I109-V167 HydrophobicContact CD1-CG2 3.79Å; L116-V167 VanDerWaalsContact O-O 3.11Å; H118-V167 CarbonylContact C-O 3.48Å; H118-V167 WeakPolarHBondContact CA-O 3.47Å; H118-V167 PolarHBondContact N-O 2.88Å; C119-V167 PolarHBondContact N-O 3.33Å; V120-V167 WeakPolarHBondContact CB-O 3.36Å; V120-V167 HydrophobicContact CG2-CB 3.91Å; V120-V167 HydrophobicContact CG2-CG2 4.3Å; V120-V167 PolarHBondContact N-O 3.2Å; L123-V167 HydrophobicContact CD2-CG2 4.44Å; A164-V167 VanDerWaalsContact O-CG2 3.29Å; A164-V167 WeakPolarHBondContact O-CG2 3.44Å; A164-V167 PolarHBondContact O-N 3.14Å; A164-V167 VanDerWaalsContact O-N 3.08Å; V167-S169 PolarHBondContact O-N 2.89Å
168	L	97.1	Very high	95.4	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.2	178.9	-72	166.2	0	0	0	111.5	H118 V120 L123 A164 L173 F174 L194	H118-L168 WeakPolarHBondContact CA-O 3.25Å; H118-L168 PolarHBondContact ND1-O 3.43Å; H118-L168 VanDerWaalsContact ND1-O 3.16Å; V120-L168 WeakPolarHBondContact O-CA 3.43Å; L123-L168 HydrophobicContact CB-CD2 3.76Å; A164-L168 HydrophobicContact CB-CD1 4.17Å; A164-L168 WeakPolarHBondContact O-CG 3.44Å; A164-L168 PolarHBondContact O-N 3.22Å; A164-L168 VanDerWaalsContact O-N 3.08Å; L168-L173 WeakPolarHBondContact CD2-O 3.47Å; L168-F174 HydrophobicContact CD1-CB 4.06Å; L168-L194 HydrophobicContact CD1-CD2 3.67Å
169	S	96.2	Very high	95	Very high	21 Å²	21	44.5 Å²	44.5	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	169.7	169.5	73.9	0	0	0	0	110.7	H118 V120 D121 V167 S171 G172	H118-S169 WeakPolarHBondContact O-CA 3.31Å; H118-S169 WeakPolarHBondContact O-CB 3.46Å; V120-S169 PolarHBondContact O-N 3.04Å; V120-S169 PolarHBondContact O-OG 3.05Å; D121-S169 PolarHBondContact OD1-OG 3.15Å; V167-S169 PolarHBondContact O-N 2.89Å; S169-S171 PolarHBondContact O-N 2.94Å; S169-G172 PolarHBondContact O-N 3.14Å; S169-G172 PolarHBondContact OG-N 2.97Å
170	Q	91.7	Very high	94.3	Very high	191 Å²	191	47 Å²	47	89%	0.893	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	-26.7	-177.2	-171.8	62.6	33.2	0	0	113.4
171	S	89.7	Confident	93.9	Very high	96 Å²	96	52.9 Å²	52.9	67%	0.671	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	17.9	177.1	-55.7	0	0	0	0	112.1	S169	S169-S171 PolarHBondContact O-N 2.94Å
172	G	95.2	Very high	93.6	Very high	20 Å²	20	52.8 Å²	52.8	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.4	-176.5	0	0	0	0	0	112.2	D121 S169	D121-G172 WeakPolarHBondContact O-CA 3.37Å; S169-G172 PolarHBondContact O-N 3.14Å; S169-G172 PolarHBondContact OG-N 2.97Å
173	L	96.3	Very high	93.3	Very high	68 Å²	68	53.7 Å²	53.7	36%	0.356	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.1	176.9	-62.4	174.3	0	0	0	110.8	I43 D121 L122 L123 L168 Y175	I43-L173 HydrophobicContact CG1-CD1 3.82Å; D121-L173 PolarHBondContact O-N 3.32Å; L122-L173 HydrophobicContact CD1-CB 3.97Å; L123-L173 PolarHBondContact N-O 2.61Å; L168-L173 WeakPolarHBondContact CD2-O 3.47Å; L173-Y175 HydrophobicContact CB-CD2 4.47Å; L173-Y175 HydrophobicContact CB-CE2 4.05Å; L173-Y175 HydrophobicContact CD1-CE2 4.36Å
174	F	96.9	Very high	93.1	Very high	49 Å²	49	53.6 Å²	53.6	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.1	174.2	179.4	-149.1	0	0	0	111.4	L123 F125 L160 I161 A164 L168 L176 L194	L123-F174 HydrophobicContact CB-CB 4.41Å; L123-F174 HydrophobicContact CB-CD2 3.85Å; L123-F174 HydrophobicContact CB-CG 4.43Å; L123-F174 HydrophobicContact CD2-CD2 3.66Å; L123-F174 HydrophobicContact CD2-CE2 3.89Å; L123-F174 HydrophobicContact CD2-CG 4.07Å; L123-F174 HydrophobicContact CD2-CZ 4.46Å; L123-F174 HydrophobicContact CG-CD2 3.59Å; L123-F174 HydrophobicContact CG-CE2 3.9Å; L123-F174 HydrophobicContact CG-CG 4.39Å; L123-F174 CarbonylContact O-C 3.47Å; L123-F174 VanDerWaalsContact O-CA 3.31Å; L123-F174 WeakPolarHBondContact O-CA 3.43Å; F125-F174 HydrophobicContact CB-CE2 3.96Å; F125-F174 HydrophobicContact CB-CZ 4.44Å; L160-F174 HydrophobicContact CD2-CE2 4Å; L160-F174 HydrophobicContact CD2-CZ 3.83Å; L160-F174 HydrophobicContact CG-CZ 4.2Å; I161-F174 HydrophobicContact CG1-CE1 3.95Å; A164-F174 HydrophobicContact CB-CD1 4.15Å; A164-F174 HydrophobicContact CB-CE1 4.22Å; L168-F174 HydrophobicContact CD1-CB 4.06Å; F174-L176 HydrophobicContact CE1-CB 4.45Å; F174-L176 HydrophobicContact CE2-CB 4.29Å; F174-L176 HydrophobicContact CZ-CB 4.05Å; F174-L176 HydrophobicContact CZ-CD1 4.03Å; F174-L176 HydrophobicContact CZ-CG 4.47Å; F174-L194 HydrophobicContact CD1-CD1 4.19Å
175	Y	97.5	Very high	92.7	Very high	25 Å²	25	58.6 Å²	58.6	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.3	174.1	-73.6	-105.5	0	0	0	110.2	L32 A35 L36 D39 I43 L122 L123 V124 F125 L173	L32-Y175 HydrophobicContact CD1-CG 4.49Å; A35-Y175 HydrophobicContact CB-CD1 4.12Å; A35-Y175 HydrophobicContact CB-CE1 4.14Å; L36-Y175 HydrophobicContact CD2-CD1 4.14Å; L36-Y175 HydrophobicContact CD2-CD2 3.85Å; L36-Y175 HydrophobicContact CD2-CE1 4.27Å; L36-Y175 HydrophobicContact CD2-CE2 4.01Å; L36-Y175 HydrophobicContact CD2-CG 3.94Å; D39-Y175 VanDerWaalsContact CB-OH 3.3Å; D39-Y175 WeakPolarHBondContact CB-OH 3.39Å; D39-Y175 PolarHBondContact OD2-OH 3.1Å; I43-Y175 HydrophobicContact CD1-CE2 4.23Å; L122-Y175 HydrophobicContact CD1-CD2 3.71Å; L122-Y175 HydrophobicContact CD1-CE2 3.84Å; L123-Y175 PolarHBondContact O-N 2.92Å; V124-Y175 CarbonylContact C-O 3.54Å; V124-Y175 WeakPolarHBondContact CA-O 3.41Å; F125-Y175 PolarHBondContact N-O 2.87Å; L173-Y175 HydrophobicContact CB-CD2 4.47Å; L173-Y175 HydrophobicContact CB-CE2 4.05Å; L173-Y175 HydrophobicContact CD1-CE2 4.36Å
176	L	96.5	Very high	92.6	Very high	51 Å²	51	60.6 Å²	60.6	27%	0.267	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130	-179.7	-179.4	72.3	0	0	0	109.7	F125 P127 A157 I161 F174	F125-L176 HydrophobicContact CB-CD1 3.87Å; F125-L176 HydrophobicContact CD1-CD1 3.56Å; F125-L176 HydrophobicContact CG-CD1 3.97Å; F125-L176 WeakPolarHBondContact O-CA 3.32Å; P127-L176 HydrophobicContact CG-CD1 3.83Å; A157-L176 HydrophobicContact CB-CD1 4.32Å; A157-L176 HydrophobicContact CB-CD2 4.34Å; I161-L176 HydrophobicContact CD1-CD2 3.66Å; I161-L176 HydrophobicContact CG1-CD2 3.97Å; F174-L176 HydrophobicContact CE1-CB 4.45Å; F174-L176 HydrophobicContact CE2-CB 4.29Å; F174-L176 HydrophobicContact CZ-CB 4.05Å; F174-L176 HydrophobicContact CZ-CD1 4.03Å; F174-L176 HydrophobicContact CZ-CG 4.47Å
177	V	94.4	Very high	92.5	Very high	11 Å²	11	58 Å²	58	7%	0.067	31%	0.314	C	S	.	.			trans	-82.8	134.1	167.5	-177.4	0	0	0	0	109.6	D28 L31 L32 F125 N126 P127	D28-V177 HydrophobicContact CB-CG1 4.19Å; L31-V177 HydrophobicContact CD2-CG1 4.43Å; L32-V177 HydrophobicContact CB-CG2 3.8Å; L32-V177 HydrophobicContact CD1-CG2 4.39Å; L32-V177 HydrophobicContact CD2-CG2 4.4Å; L32-V177 HydrophobicContact CG-CG2 4.42Å; F125-V177 PolarHBondContact O-N 3.41Å; N126-V177 HydrophobicContact CB-CB 4.47Å; N126-V177 HydrophobicContact CB-CG2 4.09Å; N126-V177 WeakPolarHBondContact OD1-CB 3.42Å; N126-V177 WeakPolarHBondContact OD1-CG1 3.45Å; N126-V177 WeakPolarHBondContact OD1-CG2 3.22Å; P127-V177 VanDerWaalsContact CD-O 3.28Å; P127-V177 WeakPolarHBondContact CD-O 3.24Å; P127-V177 VanDerWaalsContact CG-O 3.24Å; P127-V177 WeakPolarHBondContact CG-O 3.28Å
178	A	92.2	Very high	92.2	Very high	33 Å²	33	60 Å²	60	27%	0.273	33%	0.326	S	S	.	.			trans	-149.3	154.9	174.5	0	0	0	0	0	110.1	N182 V184 L187	A178-N182 HydrophobicContact CB-CB 4.46Å; A178-V184 HydrophobicContact CB-CG2 4.15Å; A178-L187 HydrophobicContact CB-CD1 4.07Å
179	V	88	Confident	92	Very high	41 Å²	41	67.3 Å²	67.3	25%	0.248	36%	0.357	C	S	.	.			trans	-108.1	163.2	173.2	-61.9	0	0	0	0	111	Y129 E181 N182 V184	Y129-V179 HydrophobicContact CD2-CB 4.47Å; Y129-V179 HydrophobicContact CD2-CG1 3.76Å; Y129-V179 HydrophobicContact CD2-CG2 3.82Å; Y129-V179 HydrophobicContact CE2-CG1 3.8Å; Y129-V179 HydrophobicContact CG-CG1 4.3Å; Y129-V179 HydrophobicContact CG-CG2 4.37Å; V179-E181 HydrophobicContact CG2-CB 4.21Å; V179-E181 WeakPolarHBondContact CG2-OE2 3.38Å; V179-E181 PolarHBondContact O-N 2.67Å; V179-N182 WeakPolarHBondContact CG2-OD1 2.96Å; V179-N182 PolarHBondContact N-OD1 3.07Å; V179-N182 VanDerWaalsContact O-CB 3.29Å; V179-N182 WeakPolarHBondContact O-CB 3.29Å; V179-N182 PolarHBondContact O-N 3.3Å; V179-V184 VanDerWaalsContact O-CG2 3.28Å; V179-V184 WeakPolarHBondContact O-CG2 3.44Å
180	E	83.9	Confident	91.9	Very high	167 Å²	167	69 Å²	69	78%	0.78	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-54.5	-39.6	-177.6	-174.6	172.9	-178	0	0	111.9	N182 N183	E180-N182 PolarHBondContact O-N 3.3Å; E180-N182 VanDerWaalsContact O-N 3.09Å; E180-N183 PolarHBondContact O-N 2.88Å
181	E	87	Confident	92	Very high	123 Å²	123	60.4 Å²	60.4	58%	0.575	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-58.5	-22.7	177.3	-67.2	83.6	171.2	0	0	113.6	D152 V179 N183	D152-E181 WeakPolarHBondContact CB-O 3.45Å; V179-E181 HydrophobicContact CG2-CB 4.21Å; V179-E181 WeakPolarHBondContact CG2-OE2 3.38Å; V179-E181 PolarHBondContact O-N 2.67Å; E181-N183 PolarHBondContact O-N 3.37Å
182	N	90.9	Very high	92.2	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-77.5	1.9	178.2	-56.9	148	0	0	0	114	Y129 D152 A178 V179 E180 L187	Y129-N182 WeakPolarHBondContact CB-OD1 3.39Å; Y129-N182 PolarHBondContact O-ND2 3.25Å; D152-N182 WeakPolarHBondContact O-CA 3.37Å; D152-N182 PolarHBondContact O-ND2 2.63Å; A178-N182 HydrophobicContact CB-CB 4.46Å; V179-N182 WeakPolarHBondContact CG2-OD1 2.96Å; V179-N182 PolarHBondContact N-OD1 3.07Å; V179-N182 VanDerWaalsContact O-CB 3.29Å; V179-N182 WeakPolarHBondContact O-CB 3.29Å; V179-N182 PolarHBondContact O-N 3.3Å; E180-N182 PolarHBondContact O-N 3.3Å; E180-N182 VanDerWaalsContact O-N 3.09Å; N182-L187 HydrophobicContact CB-CD1 3.94Å
183	N	90.7	Very high	92.1	Very high	84 Å²	84	67.8 Å²	67.8	45%	0.449	35%	0.352	S	S	.	.			trans	56.8	61.8	-173.1	-55.5	-68.5	0	0	0	111.6	D152 E180 E181 D185 V186 L187	D152-N183 PolarHBondContact OD2-ND2 3.37Å; E180-N183 PolarHBondContact O-N 2.88Å; E181-N183 PolarHBondContact O-N 3.37Å; N183-D185 PolarHBondContact O-N 3.29Å; N183-D185 VanDerWaalsContact O-N 3.13Å; N183-V186 HydrophobicContact CB-CB 4.13Å; N183-V186 HydrophobicContact CB-CG2 3.97Å; N183-V186 WeakPolarHBondContact O-CA 3.45Å; N183-V186 VanDerWaalsContact O-CB 3.32Å; N183-V186 WeakPolarHBondContact O-CB 3.33Å; N183-V186 PolarHBondContact O-N 2.83Å; N183-L187 PolarHBondContact O-N 3.48Å
184	V	89.2	Confident	91.8	Very high	35 Å²	35	66.7 Å²	66.7	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-52.1	-39.7	-173.2	-175.2	0	0	0	0	112.8	A178 V179 V186 L187 V188 Q198	A178-V184 HydrophobicContact CB-CG2 4.15Å; V179-V184 VanDerWaalsContact O-CG2 3.28Å; V179-V184 WeakPolarHBondContact O-CG2 3.44Å; V184-V186 PolarHBondContact O-N 2.93Å; V184-L187 PolarHBondContact O-N 3.32Å; V184-L187 VanDerWaalsContact O-N 3.07Å; V184-V188 HydrophobicContact CG1-CG2 4.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.4Å; V184-V188 PolarHBondContact O-N 3Å; V184-Q198 HydrophobicContact CG1-CG 3.86Å
185	D	88.1	Confident	91.3	Very high	105 Å²	105	73.9 Å²	73.9	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-59	-33.2	176.5	-71.4	-24.7	0	0	0	113.4	N183 K189 Q198	N183-D185 PolarHBondContact O-N 3.29Å; N183-D185 VanDerWaalsContact O-N 3.13Å; D185-K189 WeakPolarHBondContact O-CG 3.36Å; D185-Q198 PolarHBondContact OD1-NE2 3.28Å
186	V	92.2	Very high	90.4	Very high	73 Å²	73	74.6 Å²	74.6	44%	0.442	40%	0.396	S	S	.	.	H	α-helix	trans	-74.7	-42.6	175.3	179.5	0	0	0	0	110	N183 V184 V188 K189 L190	N183-V186 HydrophobicContact CB-CB 4.13Å; N183-V186 HydrophobicContact CB-CG2 3.97Å; N183-V186 WeakPolarHBondContact O-CA 3.45Å; N183-V186 VanDerWaalsContact O-CB 3.32Å; N183-V186 WeakPolarHBondContact O-CB 3.33Å; N183-V186 PolarHBondContact O-N 2.83Å; V184-V186 PolarHBondContact O-N 2.93Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V186-V188 PolarHBondContact O-N 3.29Å; V186-K189 PolarHBondContact O-N 3.04Å; V186-L190 WeakPolarHBondContact O-CB 3.19Å; V186-L190 PolarHBondContact O-N 2.92Å
187	L	92.7	Very high	89.6	Confident	9 Å²	9	79 Å²	79	5%	0.047	42%	0.418	C	S	.	.	H	α-helix	trans	-61.3	-43.4	178.7	-63	-174.9	0	0	0	112	R158 I161 A178 N182 N183 V184 K189 L190	R158-L187 HydrophobicContact CG-CD2 3.65Å; I161-L187 HydrophobicContact CD1-CB 4.02Å; I161-L187 HydrophobicContact CD1-CD2 3.94Å; I161-L187 HydrophobicContact CD1-CG 4.4Å; A178-L187 HydrophobicContact CB-CD1 4.07Å; N182-L187 HydrophobicContact CB-CD1 3.94Å; N183-L187 PolarHBondContact O-N 3.48Å; V184-L187 PolarHBondContact O-N 3.32Å; V184-L187 VanDerWaalsContact O-N 3.07Å; L187-K189 PolarHBondContact O-N 3.48Å; L187-L190 VanDerWaalsContact O-CB 3.31Å; L187-L190 WeakPolarHBondContact O-CB 3.38Å; L187-L190 PolarHBondContact O-N 3.07Å
188	V	89.8	Confident	88.7	Confident	44 Å²	44	82 Å²	82	27%	0.267	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-32.8	177.9	163.2	0	0	0	0	112.4	V184 V186 Q198	V184-V188 HydrophobicContact CG1-CG2 4.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.4Å; V184-V188 PolarHBondContact O-N 3Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V186-V188 PolarHBondContact O-N 3.29Å; V188-Q198 HydrophobicContact CG2-CG 3.96Å
189	K	92.3	Very high	87.8	Confident	164 Å²	164	84.4 Å²	84.4	71%	0.713	44%	0.436	S	S	*	.	H	α-helix	trans	-96.6	-3.2	-179	-65.3	172.5	-174.3	167.2	0	113.7	D185 V186 L187 N191	D185-K189 WeakPolarHBondContact O-CG 3.36Å; V186-K189 PolarHBondContact O-N 3.04Å; L187-K189 PolarHBondContact O-N 3.48Å; K189-N191 VanDerWaalsContact C-N 3.34Å; K189-N191 PolarHBondContact O-N 3.18Å
190	L	94.3	Very high	86.8	Confident	58 Å²	58	86 Å²	86	30%	0.304	44%	0.441	S	S	.	.	S	Bend	trans	-65.7	-37.4	-170.2	-179.4	62.9	0	0	0	112.5	R158 I161 V186 L187	R158-L190 HydrophobicContact CB-CD2 3.83Å; R158-L190 HydrophobicContact CG-CD2 3.74Å; I161-L190 HydrophobicContact CB-CD2 4.03Å; I161-L190 HydrophobicContact CD1-CD2 4.21Å; I161-L190 HydrophobicContact CG2-CB 3.96Å; I161-L190 HydrophobicContact CG2-CD2 3.84Å; I161-L190 HydrophobicContact CG2-CG 4.1Å; V186-L190 WeakPolarHBondContact O-CB 3.19Å; V186-L190 PolarHBondContact O-N 2.92Å; L187-L190 VanDerWaalsContact O-CB 3.31Å; L187-L190 WeakPolarHBondContact O-CB 3.38Å; L187-L190 PolarHBondContact O-N 3.07Å
191	N	95	Very high	86	Confident	10 Å²	10	79.3 Å²	79.3	5%	0.053	41%	0.413	C	S	.	.			trans	-111.9	104.4	177.7	-164.8	-26.9	0	0	0	110.6	I161 S162 H165 K189 K193 L194	I161-N191 HydrophobicContact CG2-CB 3.82Å; I161-N191 PolarHBondContact O-ND2 3.24Å; S162-N191 PolarHBondContact O-ND2 3.49Å; H165-N191 PolarHBondContact ND1-ND2 2.84Å; K189-N191 VanDerWaalsContact C-N 3.34Å; K189-N191 PolarHBondContact O-N 3.18Å; N191-K193 PolarHBondContact O-N 3.47Å; N191-K193 WeakPolarHBondContact OD1-CB 2.96Å; N191-K193 PolarHBondContact OD1-N 2.92Å; N191-L194 HydrophobicContact CB-CB 4.39Å; N191-L194 HydrophobicContact CB-CD1 3.9Å; N191-L194 HydrophobicContact CB-CG 3.99Å; N191-L194 PolarHBondContact O-N 2.73Å
192	P	92.9	Very high	85	Confident	126 Å²	126	76.4 Å²	76.4	82%	0.818	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.5	-178.3	28.4	-35.9	0	0	0	113.9	L194	P192-L194 VanDerWaalsContact C-N 3.34Å
193	K	92.9	Very high	84.6	Confident	145 Å²	145	76.9 Å²	76.9	63%	0.63	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.6	173.6	-61.7	176.7	178	-178.3	0	113.1	H165 N191	H165-K193 HydrophobicContact CB-CB 4.02Å; H165-K193 HydrophobicContact CB-CD 4.24Å; H165-K193 WeakPolarHBondContact CD2-CD 3.23Å; H165-K193 PolarHBondContact CD2-NZ 3.32Å; H165-K193 VanDerWaalsContact CD2-NZ 3.28Å; H165-K193 WeakPolarHBondContact NE2-CD 3.49Å; H165-K193 PolarHBondContact NE2-NZ 3.19Å; N191-K193 PolarHBondContact O-N 3.47Å; N191-K193 WeakPolarHBondContact OD1-CB 2.96Å; N191-K193 PolarHBondContact OD1-N 2.92Å
194	L	90.8	Very high	84.6	Confident	45 Å²	45	73 Å²	73	24%	0.236	38%	0.384	C	S	.	.	S	Bend	trans	-113.7	138.3	175.4	-55.5	178.5	0	0	0	108.8	A164 H165 L168 F174 N191 P192	A164-L194 HydrophobicContact CB-CD1 4.17Å; H165-L194 HydrophobicContact CB-CD2 4.11Å; L168-L194 HydrophobicContact CD1-CD2 3.67Å; F174-L194 HydrophobicContact CD1-CD1 4.19Å; N191-L194 HydrophobicContact CB-CB 4.39Å; N191-L194 HydrophobicContact CB-CD1 3.9Å; N191-L194 HydrophobicContact CB-CG 3.99Å; N191-L194 PolarHBondContact O-N 2.73Å; P192-L194 VanDerWaalsContact C-N 3.34Å
195	E	84.9	Confident	85	Confident	200 Å²	200	71.5 Å²	71.5	94%	0.935	37%	0.374	S	S	*	.			trans	-94.3	105.5	169.1	-172.7	176.2	-178	0	0	108.2
196	G	79.4	Confident	85.4	Confident	40 Å²	40	66.5 Å²	66.5	41%	0.412	35%	0.348	S	S	.	.			trans	-92.6	139.4	-176.8	0	0	0	0	0	112.9
197	L	80	Confident	85.7	Confident	142 Å²	142	63 Å²	63	74%	0.743	33%	0.327	S	S	*	.			trans	-129	136.7	174	177.5	68	0	0	0	109.2
198	Q	76.1	Confident	85.9	Confident	74 Å²	74	62.6 Å²	62.6	35%	0.346	32%	0.324	S	S	.	.			trans	-87.9	138	173.4	-62.8	-179.3	27.7	0	0	110.3	V184 D185 V188	V184-Q198 HydrophobicContact CG1-CG 3.86Å; D185-Q198 PolarHBondContact OD1-NE2 3.28Å; V188-Q198 HydrophobicContact CG2-CG 3.96Å
199	K	72.1	Confident	86.1	Confident	85 Å²	85	61 Å²	61	37%	0.37	32%	0.315	S	S	.	.			trans	-122.4	140.9	174.2	-74.5	-168.1	-178.9	-177.6	0	111.1	D39	D39-K199 IonicContact OD1-NZ 2.89Å; D39-K199 PolarHBondContact OD1-NZ 3.24Å; D39-K199 IonicContact OD2-NZ 2.64Å; D39-K199 PolarHBondContact OD2-NZ 2.77Å
200	M	67.6	Low	86	Confident	73 Å²	73	57.3 Å²	57.3	36%	0.36	30%	0.296	S	S	.	.			trans	-128.9	138.1	173.2	-98.2	173	57.5	0	0	111.5	K231 N286 K288	M200-K231 HydrophobicContact CE-CB 3.7Å; M200-K231 HydrophobicContact CE-CG 4.29Å; M200-N286 PolarHBondContact SD-ND2 2.97Å; M200-K288 WeakPolarHBondContact O-CE 3.42Å; M200-K288 PolarHBondContact O-NZ 3.07Å
201	S	67.2	Low	85.5	Confident	27 Å²	27	59.5 Å²	59.5	19%	0.189	30%	0.3	C	S	.	.			trans	-61.7	144.7	173.7	52.7	0	0	0	0	111.9	K288	S201-K288 PolarHBondContact O-NZ 3.44Å
202	I	66.5	Low	84.5	Confident	63 Å²	63	64.1 Å²	64.1	32%	0.323	33%	0.333	S	S	.	.			trans	-70.7	132.3	172.3	-64.5	171.1	0	0	0	109	D233 S440 K444	I202-D233 WeakPolarHBondContact CA-OD2 3.43Å; I202-D233 WeakPolarHBondContact CG2-OD1 3.2Å; I202-S440 WeakPolarHBondContact O-CB 3.33Å; I202-K444 HydrophobicContact CD1-CD 4.25Å
203	L	81.7	Confident	83.7	Confident	12 Å²	12	66.4 Å²	66.4	6%	0.063	34%	0.339	C	S	.	.			trans	-133.8	127.1	-174.4	-63.3	168.5	0	0	0	109.8	Y232 D233 T234 P418 I439	L203-Y232 HydrophobicContact CB-CD1 3.93Å; L203-Y232 HydrophobicContact CB-CE1 4.2Å; L203-Y232 WeakPolarHBondContact O-CD1 3.5Å; L203-D233 PolarHBondContact O-N 3.03Å; L203-T234 PolarHBondContact O-N 2.9Å; L203-P418 HydrophobicContact CD1-CB 3.51Å; L203-P418 HydrophobicContact CD1-CG 3.42Å; L203-P418 VanDerWaalsContact CD1-CG 3.42Å; L203-P418 HydrophobicContact CD2-CB 3.49Å; L203-P418 VanDerWaalsContact CD2-CB 3.49Å; L203-P418 HydrophobicContact CD2-CG 4.35Å; L203-P418 HydrophobicContact CG-CB 4.02Å; L203-P418 HydrophobicContact CG-CG 4.45Å; L203-I439 HydrophobicContact CD2-CD1 4.08Å
204	A	91.4	Very high	82.8	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.033	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.9	-176.9	0	0	0	0	0	112.8	L206 Y232 T234 I439 P443	A204-L206 HydrophobicContact CB-CD2 4.16Å; A204-L206 HydrophobicContact CB-CG 4.47Å; A204-Y232 VanDerWaalsContact C-CD1 3.48Å; A204-T234 WeakPolarHBondContact CA-O 3.45Å; A204-T234 HydrophobicContact CB-CG2 3.88Å; A204-I439 PolarHBondContact N-O 3.25Å; A204-P443 HydrophobicContact CB-CB 3.77Å; A204-P443 HydrophobicContact CB-CG 4.37Å
205	D	96.3	Very high	82.4	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.011	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.4	159.5	-169.8	-45.2	0	0	0	109.3	N207 Y232 T234 L235 A236 S407	D205-N207 VanDerWaalsContact C-N 3.34Å; D205-N207 PolarHBondContact O-N 3.06Å; D205-N207 PolarHBondContact OD1-N 2.85Å; D205-Y232 HydrophobicContact CB-CD1 4.18Å; D205-Y232 HydrophobicContact CB-CE1 4.01Å; D205-T234 PolarHBondContact N-O 3.49Å; D205-L235 HydrophobicContact CB-CD2 4.18Å; D205-L235 CarbonylContact O-C 3.58Å; D205-L235 VanDerWaalsContact O-CA 3.28Å; D205-L235 WeakPolarHBondContact O-CA 3.39Å; D205-A236 PolarHBondContact O-N 2.82Å; D205-S407 VanDerWaalsContact CG-OG 3.31Å; D205-S407 PolarHBondContact OD1-N 3.07Å; D205-S407 PolarHBondContact OD1-OG 3.33Å; D205-S407 WeakPolarHBondContact OD2-CB 3.46Å; D205-S407 PolarHBondContact OD2-N 2.58Å; D205-S407 PolarHBondContact OD2-OG 3.39Å
206	L	97.5	Very high	82.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	16.8	-174.4	-56.4	-173.8	0	0	0	113.7	A204 T234 A236 R295 L320 T406 P443 L446 L447	A204-L206 HydrophobicContact CB-CD2 4.16Å; A204-L206 HydrophobicContact CB-CG 4.47Å; L206-T234 HydrophobicContact CD2-CG2 4.17Å; L206-A236 HydrophobicContact CB-CB 4.11Å; L206-A236 HydrophobicContact CD2-CB 4.12Å; L206-R295 WeakPolarHBondContact O-CD 3.41Å; L206-R295 PolarHBondContact O-NH1 3.31Å; L206-L320 HydrophobicContact CD1-CD1 4.46Å; L206-T406 HydrophobicContact CB-CG2 4.28Å; L206-P443 HydrophobicContact CD1-CB 3.84Å; L206-P443 HydrophobicContact CG-CB 4.29Å; L206-L446 HydrophobicContact CD1-CD2 3.85Å; L206-L447 HydrophobicContact CD2-CD1 4.22Å; L206-L447 HydrophobicContact CD2-CD2 4.34Å
207	N	97.5	Very high	82.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	64	-176.3	-160.6	-6.3	0	0	0	113.7	D205 N238 E371 T406 S407 R408 A409	D205-N207 VanDerWaalsContact C-N 3.34Å; D205-N207 PolarHBondContact O-N 3.06Å; D205-N207 PolarHBondContact OD1-N 2.85Å; N207-N238 WeakPolarHBondContact OD1-CB 3.38Å; N207-N238 PolarHBondContact OD1-ND2 2.69Å; N207-E371 VanDerWaalsContact ND2-CD 3.32Å; N207-E371 PolarHBondContact ND2-OE1 2.9Å; N207-E371 PolarHBondContact ND2-OE2 2.7Å; N207-T406 VanDerWaalsContact CB-CB 3.44Å; N207-T406 HydrophobicContact CB-CG2 3.99Å; N207-T406 WeakPolarHBondContact CB-OG1 3.47Å; N207-T406 PolarHBondContact ND2-OG1 3.11Å; N207-S407 PolarHBondContact O-OG 2.97Å; N207-R408 CarbonylContact O-C 3.58Å; N207-R408 WeakPolarHBondContact O-CA 3.3Å; N207-R408 PolarHBondContact O-N 3.45Å; N207-A409 PolarHBondContact O-N 2.83Å
208	I	97.1	Very high	83.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.8	165.9	-67	174.4	0	0	0	108.7	L219 V222 A226 L235 A236 I237 N238 A409	I208-L219 HydrophobicContact CG2-CD1 3.68Å; I208-V222 HydrophobicContact CD1-CG1 4.22Å; I208-V222 HydrophobicContact CG1-CG1 4.31Å; I208-V222 HydrophobicContact CG2-CB 4.36Å; I208-V222 HydrophobicContact CG2-CG1 3.71Å; I208-A226 HydrophobicContact CD1-CB 4.37Å; I208-L235 HydrophobicContact CD1-CB 4.33Å; I208-L235 HydrophobicContact CD1-CD1 3.95Å; I208-L235 HydrophobicContact CD1-CD2 3.88Å; I208-L235 HydrophobicContact CD1-CG 4.28Å; I208-A236 PolarHBondContact N-O 2.85Å; I208-I237 HydrophobicContact CB-CD1 4.18Å; I208-I237 HydrophobicContact CG2-CD1 4.18Å; I208-I237 CarbonylContact O-C 3.45Å; I208-N238 PolarHBondContact O-N 3.19Å; I208-A409 CarbonylContact C-O 3.54Å; I208-A409 WeakPolarHBondContact CA-O 3.33Å
209	V	95.3	Very high	83.9	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.8	-175.7	178.2	0	0	0	0	111.6	N238 E240 R408 A409	V209-N238 HydrophobicContact CG2-CB 4.48Å; V209-E240 HydrophobicContact CG1-CG 4.31Å; V209-R408 HydrophobicContact CG2-CB 4.35Å; V209-R408 HydrophobicContact CG2-CG 3.45Å; V209-R408 VanDerWaalsContact CG2-CG 3.45Å; V209-A409 PolarHBondContact N-O 2.89Å
210	R	90.3	Very high	84.8	Confident	85 Å²	85	50.4 Å²	50.4	32%	0.321	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.5	163.9	176	-169.3	173.8	-172.1	2.6	109.7	N238	R210-N238 PolarHBondContact N-O 3.43Å
211	R	82.5	Confident	86.1	Confident	104 Å²	104	49.2 Å²	49.2	39%	0.392	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-83	142.5	170.6	-59.5	-177.4	-174.2	-169.2	1	111	N213 Q214 S410	R211-N213 PolarHBondContact O-N 3.06Å; R211-Q214 HydrophobicContact CB-CB 4.09Å; R211-Q214 VanDerWaalsContact O-CB 3.29Å; R211-Q214 WeakPolarHBondContact O-CB 3.41Å; R211-Q214 PolarHBondContact O-N 3.02Å; R211-S410 PolarHBondContact NE-OG 2.95Å; R211-S410 PolarHBondContact NH2-OG 2.96Å
212	S	75.4	Confident	87.4	Confident	107 Å²	107	47.9 Å²	47.9	75%	0.748	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	135	168.2	-53.7	0	0	0	0	109.7	Q214	S212-Q214 PolarHBondContact O-N 3.23Å
213	N	75	Confident	88.8	Confident	175 Å²	175	44.9 Å²	44.9	94%	0.936	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	14.6	-179.1	-48.6	-29	0	0	0	115.9	R211	R211-N213 PolarHBondContact O-N 3.06Å
214	Q	74.9	Confident	89.5	Confident	42 Å²	42	47.3 Å²	47.3	20%	0.196	26%	0.263	C	S	.	.			trans	-72.5	142.1	173.9	-174.2	173.1	-2.1	0	0	111.2	R211 S212 P216 T218 S410	R211-Q214 HydrophobicContact CB-CB 4.09Å; R211-Q214 VanDerWaalsContact O-CB 3.29Å; R211-Q214 WeakPolarHBondContact O-CB 3.41Å; R211-Q214 PolarHBondContact O-N 3.02Å; S212-Q214 PolarHBondContact O-N 3.23Å; Q214-P216 WeakPolarHBondContact O-CD 3.25Å; Q214-T218 HydrophobicContact CG-CG2 4.41Å; Q214-S410 PolarHBondContact NE2-O 2.9Å
215	N	81.2	Confident	89.6	Confident	102 Å²	102	51.2 Å²	51.2	55%	0.545	28%	0.279	S	S	.	.			trans	-59.4	125	168.2	-176.8	-20.2	0	0	0	109.2	A217 T218	N215-A217 PolarHBondContact O-N 3.12Å; N215-A217 WeakPolarHBondContact OD1-CB 3.37Å; N215-A217 PolarHBondContact OD1-N 3.36Å; N215-T218 WeakPolarHBondContact O-CB 3.25Å; N215-T218 PolarHBondContact O-N 3.42Å
216	P	82.4	Confident	89.6	Confident	96 Å²	96	51.1 Å²	51.1	62%	0.623	28%	0.278	S	S	*	.	H	α-helix	trans	-50.2	-32.3	176.9	-28.9	35.6	0	0	0	114	Q214 T218 L219 L220	Q214-P216 WeakPolarHBondContact O-CD 3.25Å; P216-T218 PolarHBondContact O-N 3.42Å; P216-L219 PolarHBondContact O-N 3.41Å; P216-L219 VanDerWaalsContact O-N 3.15Å; P216-L220 PolarHBondContact O-N 2.75Å
217	A	86.7	Confident	89.4	Confident	58 Å²	58	51.2 Å²	51.2	48%	0.479	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-31.4	176.9	0	0	0	0	0	113.3	N215 S221	N215-A217 PolarHBondContact O-N 3.12Å; N215-A217 WeakPolarHBondContact OD1-CB 3.37Å; N215-A217 PolarHBondContact OD1-N 3.36Å; A217-S221 PolarHBondContact O-N 3.14Å
218	T	90.2	Very high	89.1	Confident	51 Å²	51	54.3 Å²	54.3	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-73.3	-36.1	177.6	-48.4	0	0	0	0	111.6	Q214 N215 P216 S221 V222	Q214-T218 HydrophobicContact CG-CG2 4.41Å; N215-T218 WeakPolarHBondContact O-CB 3.25Å; N215-T218 PolarHBondContact O-N 3.42Å; P216-T218 PolarHBondContact O-N 3.42Å; T218-S221 PolarHBondContact O-N 3.08Å; T218-S221 PolarHBondContact O-OG 3.27Å; T218-V222 WeakPolarHBondContact O-CG2 3.44Å; T218-V222 PolarHBondContact O-N 3.46Å
219	L	92.1	Very high	88.7	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-66.9	-42.9	173.9	179.3	61.4	0	0	0	110.4	I208 P216 S221 V222 V223 I237 L271 I273	I208-L219 HydrophobicContact CG2-CD1 3.68Å; P216-L219 PolarHBondContact O-N 3.41Å; P216-L219 VanDerWaalsContact O-N 3.15Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 2.51Å; L219-V222 WeakPolarHBondContact O-CB 3.49Å; L219-V222 PolarHBondContact O-N 2.81Å; L219-V222 VanDerWaalsContact O-N 3.14Å; L219-V223 WeakPolarHBondContact O-CG2 3.42Å; L219-V223 PolarHBondContact O-N 2.8Å; L219-I237 HydrophobicContact CD1-CD1 4.41Å; L219-I237 HydrophobicContact CD1-CG2 4.4Å; L219-I237 HydrophobicContact CD2-CG2 4.07Å; L219-L271 HydrophobicContact CD2-CD2 3.51Å; L219-I273 HydrophobicContact CD2-CD1 3.6Å; L219-I273 HydrophobicContact CD2-CG1 4.21Å; L219-I273 HydrophobicContact CG-CD1 3.98Å
220	L	92.6	Very high	88.4	Confident	39 Å²	39	57.1 Å²	57.1	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-38.9	175.5	-176.8	61.3	0	0	0	111.8	P216 V222 V223 K224 I273 V278	P216-L220 PolarHBondContact O-N 2.75Å; L220-V222 VanDerWaalsContact C-N 3.32Å; L220-V222 PolarHBondContact O-N 3.42Å; L220-V223 PolarHBondContact O-N 2.98Å; L220-K224 HydrophobicContact CD1-CG 4.37Å; L220-K224 HydrophobicContact CG-CD 4.35Å; L220-K224 HydrophobicContact CG-CG 4.39Å; L220-K224 WeakPolarHBondContact O-CB 3.28Å; L220-K224 WeakPolarHBondContact O-CG 3.49Å; L220-K224 PolarHBondContact O-N 3.13Å; L220-I273 HydrophobicContact CD1-CG2 4.43Å; L220-V278 HydrophobicContact CD1-CG2 3.91Å
221	S	93.6	Very high	88.2	Confident	48 Å²	48	56.6 Å²	56.6	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-31.8	177.2	74.3	0	0	0	0	113.3	A217 T218 L219 F225	A217-S221 PolarHBondContact O-N 3.14Å; T218-S221 PolarHBondContact O-N 3.08Å; T218-S221 PolarHBondContact O-OG 3.27Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 2.51Å; S221-F225 VanDerWaalsContact O-CB 3.31Å; S221-F225 WeakPolarHBondContact O-CB 3.4Å; S221-F225 PolarHBondContact O-N 3.05Å
222	V	95.6	Very high	88.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-46.7	172.2	-178	0	0	0	0	110.5	I208 T218 L219 L220 F225 A226 P412 L415	I208-V222 HydrophobicContact CD1-CG1 4.22Å; I208-V222 HydrophobicContact CG1-CG1 4.31Å; I208-V222 HydrophobicContact CG2-CB 4.36Å; I208-V222 HydrophobicContact CG2-CG1 3.71Å; T218-V222 WeakPolarHBondContact O-CG2 3.44Å; T218-V222 PolarHBondContact O-N 3.46Å; L219-V222 WeakPolarHBondContact O-CB 3.49Å; L219-V222 PolarHBondContact O-N 2.81Å; L219-V222 VanDerWaalsContact O-N 3.14Å; L220-V222 VanDerWaalsContact C-N 3.32Å; L220-V222 PolarHBondContact O-N 3.42Å; V222-F225 PolarHBondContact O-N 3.09Å; V222-A226 WeakPolarHBondContact O-CB 3.46Å; V222-A226 PolarHBondContact O-N 3.08Å; V222-P412 HydrophobicContact CG2-CG 4.21Å; V222-L415 HydrophobicContact CG1-CD1 3.58Å; V222-L415 HydrophobicContact CG1-CG 4.23Å; V222-L415 WeakPolarHBondContact O-CD1 3.48Å
223	V	95.4	Very high	89.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-48.5	177.4	172.6	0	0	0	0	110.8	L219 L220 F225 A226 V227 L235 I237 I273 V278 I292	L219-V223 WeakPolarHBondContact O-CG2 3.42Å; L219-V223 PolarHBondContact O-N 2.8Å; L220-V223 PolarHBondContact O-N 2.98Å; V223-F225 VanDerWaalsContact C-N 3.33Å; V223-F225 PolarHBondContact O-N 3.48Å; V223-A226 PolarHBondContact O-N 3.2Å; V223-V227 HydrophobicContact CG1-CG2 4.38Å; V223-V227 WeakPolarHBondContact O-CG2 3.49Å; V223-V227 PolarHBondContact O-N 3.31Å; V223-L235 HydrophobicContact CG1-CD1 4.06Å; V223-I237 HydrophobicContact CG2-CD1 3.84Å; V223-I273 HydrophobicContact CG2-CD1 4.32Å; V223-V278 HydrophobicContact CG1-CG2 4.25Å; V223-I292 HydrophobicContact CG1-CD1 3.88Å
224	K	95.5	Very high	90.2	Very high	63 Å²	63	39.2 Å²	39.2	27%	0.274	23%	0.226	S	C	.	.	H	α-helix	trans	-55.7	-47.8	175.2	-76.9	-175.6	169.3	-130.5	0	111.6	L220 A226 V227 E228 N277 V278	L220-K224 HydrophobicContact CD1-CG 4.37Å; L220-K224 HydrophobicContact CG-CD 4.35Å; L220-K224 HydrophobicContact CG-CG 4.39Å; L220-K224 WeakPolarHBondContact O-CB 3.28Å; L220-K224 WeakPolarHBondContact O-CG 3.49Å; L220-K224 PolarHBondContact O-N 3.13Å; K224-A226 VanDerWaalsContact C-N 3.34Å; K224-A226 PolarHBondContact O-N 3.49Å; K224-V227 PolarHBondContact O-N 3.02Å; K224-E228 WeakPolarHBondContact O-CA 3.47Å; K224-E228 WeakPolarHBondContact O-CB 3.46Å; K224-E228 WeakPolarHBondContact O-CG 3.49Å; K224-E228 PolarHBondContact O-N 3.44Å; K224-N277 WeakPolarHBondContact CE-O 3.22Å; K224-N277 PolarHBondContact NZ-O 3.04Å; K224-V278 HydrophobicContact CG-CG2 3.96Å
225	F	95.5	Very high	91.2	Very high	85 Å²	85	37.2 Å²	37.2	37%	0.373	22%	0.217	S	C	.	.	I	π-helix	trans	-63.7	-39.4	179.6	-170.8	-122.5	0	0	0	112.8	S221 V222 V223 G229 M230 P412 L415	S221-F225 VanDerWaalsContact O-CB 3.31Å; S221-F225 WeakPolarHBondContact O-CB 3.4Å; S221-F225 PolarHBondContact O-N 3.05Å; V222-F225 PolarHBondContact O-N 3.09Å; V223-F225 VanDerWaalsContact C-N 3.33Å; V223-F225 PolarHBondContact O-N 3.48Å; F225-G229 CarbonylContact O-C 3.54Å; F225-G229 VanDerWaalsContact O-CA 3.27Å; F225-G229 WeakPolarHBondContact O-CA 3.36Å; F225-G229 PolarHBondContact O-N 3.06Å; F225-M230 HydrophobicContact CD1-CE 3.68Å; F225-M230 HydrophobicContact CD1-SD 4.39Å; F225-M230 HydrophobicContact CE1-CE 3.08Å; F225-M230 HydrophobicContact CE1-SD 4.32Å; F225-M230 HydrophobicContact CZ-CE 3.66Å; F225-M230 PolarHBondContact O-N 3.43Å; F225-P412 HydrophobicContact CB-CB 3.95Å; F225-P412 HydrophobicContact CB-CG 4.43Å; F225-P412 HydrophobicContact CD1-CB 3.56Å; F225-P412 WeakPolarHBondContact CD1-O 3.01Å; F225-P412 HydrophobicContact CE1-CB 4.13Å; F225-P412 WeakPolarHBondContact CE1-O 3.45Å; F225-P412 HydrophobicContact CG-CB 3.83Å; F225-L415 HydrophobicContact CD1-CB 4.26Å; F225-L415 HydrophobicContact CD1-CD1 4.07Å; F225-L415 HydrophobicContact CE1-CB 4.45Å
226	A	95	Very high	91.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-63.8	-44	176	0	0	0	0	0	112.3	I208 V222 V223 K224 M230 K231 Y232 L235 L415	I208-A226 HydrophobicContact CD1-CB 4.37Å; V222-A226 WeakPolarHBondContact O-CB 3.46Å; V222-A226 PolarHBondContact O-N 3.08Å; V223-A226 PolarHBondContact O-N 3.2Å; K224-A226 VanDerWaalsContact C-N 3.34Å; K224-A226 PolarHBondContact O-N 3.49Å; A226-M230 CarbonylContact O-C 3.57Å; A226-M230 WeakPolarHBondContact O-CB 3.18Å; A226-M230 PolarHBondContact O-N 3.47Å; A226-K231 PolarHBondContact O-N 3.21Å; A226-K231 VanDerWaalsContact O-N 3.1Å; A226-Y232 HydrophobicContact CB-CD2 4.24Å; A226-Y232 WeakPolarHBondContact O-CD2 3.36Å; A226-Y232 PolarHBondContact O-N 2.73Å; A226-L235 HydrophobicContact CB-CD1 3.99Å; A226-L235 HydrophobicContact CB-CD2 3.94Å; A226-L415 HydrophobicContact CB-CD1 3.81Å
227	V	93.4	Very high	92.6	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	16%	0.163	C	C	.	.	I	π-helix	trans	-79.8	-56.3	-177.1	179.1	0	0	0	0	111.5	V223 K224 K231 L235 V278 T280 L283 L290	V223-V227 HydrophobicContact CG1-CG2 4.38Å; V223-V227 WeakPolarHBondContact O-CG2 3.49Å; V223-V227 PolarHBondContact O-N 3.31Å; K224-V227 PolarHBondContact O-N 3.02Å; V227-K231 WeakPolarHBondContact O-CA 3.48Å; V227-K231 PolarHBondContact O-N 3.47Å; V227-K231 VanDerWaalsContact O-N 3.13Å; V227-L235 HydrophobicContact CG2-CD1 3.79Å; V227-V278 HydrophobicContact CB-CG1 3.83Å; V227-V278 HydrophobicContact CG1-CG1 3.79Å; V227-V278 HydrophobicContact CG2-CG1 4.16Å; V227-T280 HydrophobicContact CG1-CG2 4.38Å; V227-L283 HydrophobicContact CG1-CD1 3.94Å; V227-L290 HydrophobicContact CG1-CD1 4.47Å; V227-L290 HydrophobicContact CG1-CD2 4.36Å; V227-L290 HydrophobicContact CG2-CD1 3.54Å; V227-L290 HydrophobicContact CG2-CD2 3.91Å; V227-L290 HydrophobicContact CG2-CG 4.38Å
228	E	92	Very high	93.1	Very high	65 Å²	65	25.5 Å²	25.5	30%	0.304	14%	0.141	S	C	.	.	I	π-helix	trans	-75.3	-43.2	-172.4	-56.9	171.9	-172.7	0	0	111.1	K224 K231 V278 D279	K224-E228 WeakPolarHBondContact O-CA 3.47Å; K224-E228 WeakPolarHBondContact O-CB 3.46Å; K224-E228 WeakPolarHBondContact O-CG 3.49Å; K224-E228 PolarHBondContact O-N 3.44Å; E228-K231 WeakPolarHBondContact O-CE 3.46Å; E228-K231 PolarHBondContact O-NZ 2.94Å; E228-V278 HydrophobicContact CG-CG1 4.41Å; E228-D279 HydrophobicContact CG-CB 4.13Å; E228-D279 PolarHBondContact OE1-N 3.44Å
229	G	88.6	Confident	93.4	Very high	49 Å²	49	23.6 Å²	23.6	51%	0.505	13%	0.129	S	C	.	.	I	π-helix	trans	-86.8	-40.5	-175.6	0	0	0	0	0	114	F225	F225-G229 CarbonylContact O-C 3.54Å; F225-G229 VanDerWaalsContact O-CA 3.27Å; F225-G229 WeakPolarHBondContact O-CA 3.36Å; F225-G229 PolarHBondContact O-N 3.06Å
230	M	89.4	Confident	93.5	Very high	21 Å²	21	25.9 Å²	25.9	10%	0.103	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-3.5	-173.9	-64.2	174.3	178.2	0	0	114.4	F225 A226 Y232 L415 R416	F225-M230 HydrophobicContact CD1-CE 3.68Å; F225-M230 HydrophobicContact CD1-SD 4.39Å; F225-M230 HydrophobicContact CE1-CE 3.08Å; F225-M230 HydrophobicContact CE1-SD 4.32Å; F225-M230 HydrophobicContact CZ-CE 3.66Å; F225-M230 PolarHBondContact O-N 3.43Å; A226-M230 CarbonylContact O-C 3.57Å; A226-M230 WeakPolarHBondContact O-CB 3.18Å; A226-M230 PolarHBondContact O-N 3.47Å; M230-Y232 HydrophobicContact CB-CD2 3.58Å; M230-Y232 HydrophobicContact CB-CE2 3.68Å; M230-Y232 HydrophobicContact CG-CE2 4.44Å; M230-Y232 PolarHBondContact O-N 3.05Å; M230-Y232 HydrophobicContact SD-CD2 4.46Å; M230-Y232 HydrophobicContact SD-CE2 3.98Å; M230-L415 HydrophobicContact CE-CB 3.56Å; M230-L415 VanDerWaalsContact CE-O 3.27Å; M230-L415 WeakPolarHBondContact CE-O 3.16Å; M230-L415 HydrophobicContact SD-CB 3.53Å; M230-L415 VanDerWaalsContact SD-CB 3.53Å; M230-L415 HydrophobicContact SD-CD1 4.49Å; M230-R416 VanDerWaalsContact SD-O 3.36Å
231	K	86	Confident	93.5	Very high	75 Å²	75	25.6 Å²	25.6	33%	0.326	14%	0.137	S	C	.	.			trans	60.7	28.5	175.9	-43.1	-56.2	-175.9	-173.4	0	114.3	M200 A226 V227 E228 D233 A282	M200-K231 HydrophobicContact CE-CB 3.7Å; M200-K231 HydrophobicContact CE-CG 4.29Å; A226-K231 PolarHBondContact O-N 3.21Å; A226-K231 VanDerWaalsContact O-N 3.1Å; V227-K231 WeakPolarHBondContact O-CA 3.48Å; V227-K231 PolarHBondContact O-N 3.47Å; V227-K231 VanDerWaalsContact O-N 3.13Å; E228-K231 WeakPolarHBondContact O-CE 3.46Å; E228-K231 PolarHBondContact O-NZ 2.94Å; K231-D233 PolarHBondContact O-N 3.2Å; K231-A282 HydrophobicContact CD-CB 4.46Å
232	Y	91.3	Very high	93.4	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	15%	0.145	C	C	.	.			trans	-66.4	129.1	168	-75	-84.3	0	0	0	109.6	L203 A204 D205 A226 M230 L235 R416	L203-Y232 HydrophobicContact CB-CD1 3.93Å; L203-Y232 HydrophobicContact CB-CE1 4.2Å; L203-Y232 WeakPolarHBondContact O-CD1 3.5Å; A204-Y232 VanDerWaalsContact C-CD1 3.48Å; D205-Y232 HydrophobicContact CB-CD1 4.18Å; D205-Y232 HydrophobicContact CB-CE1 4.01Å; A226-Y232 HydrophobicContact CB-CD2 4.24Å; A226-Y232 WeakPolarHBondContact O-CD2 3.36Å; A226-Y232 PolarHBondContact O-N 2.73Å; M230-Y232 HydrophobicContact CB-CD2 3.58Å; M230-Y232 HydrophobicContact CB-CE2 3.68Å; M230-Y232 HydrophobicContact CG-CE2 4.44Å; M230-Y232 PolarHBondContact O-N 3.05Å; M230-Y232 HydrophobicContact SD-CD2 4.46Å; M230-Y232 HydrophobicContact SD-CE2 3.98Å; Y232-L235 HydrophobicContact CG-CD2 4.21Å; Y232-R416 WeakPolarHBondContact CE2-O 3.27Å; Y232-R416 PolarHBondContact OH-O 3.27Å
233	D	89.1	Confident	92.9	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.027	15%	0.147	C	C	.	.	S	Bend	trans	-96.3	-14.8	176.2	59.5	34.7	0	0	0	112.4	I202 L203 K231 L283 K288 L290 R291	I202-D233 WeakPolarHBondContact CA-OD2 3.43Å; I202-D233 WeakPolarHBondContact CG2-OD1 3.2Å; L203-D233 PolarHBondContact O-N 3.03Å; K231-D233 PolarHBondContact O-N 3.2Å; D233-L283 HydrophobicContact CB-CD1 4.18Å; D233-L283 HydrophobicContact CB-CD2 3.92Å; D233-K288 HydrophobicContact CB-CD 4.32Å; D233-K288 WeakPolarHBondContact OD2-CD 3.22Å; D233-K288 IonicContact OD2-NZ 3.81Å; D233-K288 PolarHBondContact OD2-NZ 3.05Å; D233-L290 CarbonylContact O-C 3.55Å; D233-L290 WeakPolarHBondContact O-CA 3.47Å; D233-R291 PolarHBondContact O-N 3.31Å
234	T	93.7	Very high	91.8	Very high	14 Å²	14	32.8 Å²	32.8	9%	0.086	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.7	-172.5	-61.2	0	0	0	0	110.5	L203 A204 D205 L206 R291 Y293 L447	L203-T234 PolarHBondContact O-N 2.9Å; A204-T234 WeakPolarHBondContact CA-O 3.45Å; A204-T234 HydrophobicContact CB-CG2 3.88Å; D205-T234 PolarHBondContact N-O 3.49Å; L206-T234 HydrophobicContact CD2-CG2 4.17Å; T234-R291 WeakPolarHBondContact CA-O 3.45Å; T234-Y293 HydrophobicContact CG2-CD2 4.23Å; T234-Y293 HydrophobicContact CG2-CE2 3.82Å; T234-L447 HydrophobicContact CG2-CD1 3.52Å
235	L	95.8	Very high	90.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151	-178.7	-59.5	177.8	0	0	0	111.2	D205 I208 V223 A226 V227 Y232 R291 I292 Y293	D205-L235 HydrophobicContact CB-CD2 4.18Å; D205-L235 CarbonylContact O-C 3.58Å; D205-L235 VanDerWaalsContact O-CA 3.28Å; D205-L235 WeakPolarHBondContact O-CA 3.39Å; I208-L235 HydrophobicContact CD1-CB 4.33Å; I208-L235 HydrophobicContact CD1-CD1 3.95Å; I208-L235 HydrophobicContact CD1-CD2 3.88Å; I208-L235 HydrophobicContact CD1-CG 4.28Å; V223-L235 HydrophobicContact CG1-CD1 4.06Å; A226-L235 HydrophobicContact CB-CD1 3.99Å; A226-L235 HydrophobicContact CB-CD2 3.94Å; V227-L235 HydrophobicContact CG2-CD1 3.79Å; Y232-L235 HydrophobicContact CG-CD2 4.21Å; L235-R291 PolarHBondContact N-O 3.25Å; L235-I292 HydrophobicContact CB-CG1 4.44Å; L235-I292 CarbonylContact O-C 3.55Å; L235-I292 WeakPolarHBondContact O-CA 3.43Å; L235-Y293 PolarHBondContact O-N 2.86Å
236	A	96.8	Very high	88.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.8	163.6	0	0	0	0	0	112.4	D205 L206 I208 N238 Y293 R295 L320	D205-A236 PolarHBondContact O-N 2.82Å; L206-A236 HydrophobicContact CB-CB 4.11Å; L206-A236 HydrophobicContact CD2-CB 4.12Å; I208-A236 PolarHBondContact N-O 2.85Å; A236-N238 PolarHBondContact O-N 3.13Å; A236-Y293 CarbonylContact C-O 3.53Å; A236-Y293 VanDerWaalsContact CA-O 3.27Å; A236-Y293 WeakPolarHBondContact CA-O 3.43Å; A236-R295 HydrophobicContact CB-CB 4.14Å; A236-L320 HydrophobicContact CB-CD1 4.11Å
237	I	96.7	Very high	85.8	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.046	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.2	-179	-50.7	-62.8	0	0	0	108.2	I208 L219 V223 I273 I292 Y293 R295	I208-I237 HydrophobicContact CB-CD1 4.18Å; I208-I237 HydrophobicContact CG2-CD1 4.18Å; I208-I237 CarbonylContact O-C 3.45Å; L219-I237 HydrophobicContact CD1-CD1 4.41Å; L219-I237 HydrophobicContact CD1-CG2 4.4Å; L219-I237 HydrophobicContact CD2-CG2 4.07Å; V223-I237 HydrophobicContact CG2-CD1 3.84Å; I237-I273 HydrophobicContact CB-CD1 4.35Å; I237-I273 HydrophobicContact CD1-CD1 3.56Å; I237-I273 HydrophobicContact CG1-CD1 3.5Å; I237-I273 VanDerWaalsContact CG1-CD1 3.5Å; I237-I273 HydrophobicContact CG2-CD1 4.1Å; I237-I292 HydrophobicContact CD1-CG2 4.09Å; I237-I292 HydrophobicContact CG1-CG2 3.49Å; I237-I292 VanDerWaalsContact CG1-CG2 3.49Å; I237-Y293 PolarHBondContact N-O 2.83Å; I237-R295 PolarHBondContact O-N 3.2Å
238	N	97.1	Very high	83.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.8	-176	-174.7	24.6	0	0	0	111.6	N207 I208 V209 R210 A236 R295 T297	N207-N238 WeakPolarHBondContact OD1-CB 3.38Å; N207-N238 PolarHBondContact OD1-ND2 2.69Å; I208-N238 PolarHBondContact O-N 3.19Å; V209-N238 HydrophobicContact CG2-CB 4.48Å; R210-N238 PolarHBondContact N-O 3.43Å; A236-N238 PolarHBondContact O-N 3.13Å; N238-R295 CarbonylContact C-O 3.52Å; N238-R295 WeakPolarHBondContact CA-O 3.34Å; N238-R295 HydrophobicContact CB-CB 4.36Å; N238-R295 HydrophobicContact CB-CG 4.25Å; N238-T297 PolarHBondContact ND2-OG1 3.44Å; N238-T297 VanDerWaalsContact OD1-CB 3.23Å; N238-T297 WeakPolarHBondContact OD1-CB 3.41Å; N238-T297 PolarHBondContact OD1-N 3.3Å; N238-T297 PolarHBondContact OD1-OG1 2.62Å
239	T	95.4	Very high	80.4	Confident	11 Å²	11	46.3 Å²	46.3	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.1	163	-61.1	0	0	0	0	108.4	P268 R295 L296 T297	T239-P268 HydrophobicContact CG2-CB 4.21Å; T239-P268 HydrophobicContact CG2-CG 4.22Å; T239-R295 PolarHBondContact N-O 2.9Å; T239-L296 HydrophobicContact CG2-CD1 4.47Å; T239-T297 PolarHBondContact O-N 2.99Å
240	E	94.3	Very high	77.6	Confident	55 Å²	55	47.3 Å²	47.3	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.4	177.1	-63.2	-172.3	152	0	0	110.4	V209 T297 R408	V209-E240 HydrophobicContact CG1-CG 4.31Å; E240-T297 CarbonylContact C-O 3.45Å; E240-T297 WeakPolarHBondContact CA-O 3.35Å; E240-R408 IonicContact OE1-CZ 2.8Å; E240-R408 VanDerWaalsContact OE1-CZ 3.25Å; E240-R408 IonicContact OE1-NE 2.94Å; E240-R408 PolarHBondContact OE1-NE 2.72Å; E240-R408 IonicContact OE1-NH2 2.9Å; E240-R408 PolarHBondContact OE1-NH2 2.93Å; E240-R408 IonicContact OE2-NH2 3.16Å; E240-R408 PolarHBondContact OE2-NH2 3.21Å; E240-R408 VanDerWaalsContact OE2-NH2 3.16Å
241	F	93.2	Very high	74.8	Confident	32 Å²	32	51.5 Å²	51.5	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.4	179.3	-169.6	-102.7	0	0	0	110.1	V243 F265 V267 L296 T297 I298 I299 V309	F241-V243 HydrophobicContact CD1-CG2 3.55Å; F241-V243 HydrophobicContact CE1-CG2 3.63Å; F241-F265 HydrophobicContact CZ-CB 4.19Å; F241-F265 HydrophobicContact CZ-CD2 4.33Å; F241-V267 HydrophobicContact CE1-CG2 4.42Å; F241-V267 HydrophobicContact CZ-CG2 4.43Å; F241-L296 HydrophobicContact CB-CD1 4.1Å; F241-T297 PolarHBondContact N-O 3.38Å; F241-I298 CarbonylContact O-C 3.57Å; F241-I298 WeakPolarHBondContact O-CA 3.4Å; F241-I299 PolarHBondContact O-N 3.02Å; F241-V309 HydrophobicContact CD1-CG1 3.93Å; F241-V309 HydrophobicContact CD1-CG2 4.5Å; F241-V309 HydrophobicContact CE1-CG1 3.94Å; F241-V309 HydrophobicContact CE1-CG2 3.84Å
242	L	91.3	Very high	72.1	Confident	97 Å²	97	56.4 Å²	56.4	51%	0.508	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.1	-179.2	-175.7	62.2	0	0	0	110.8	E244 I299	L242-E244 HydrophobicContact CD1-CG 3.91Å; L242-E244 HydrophobicContact CD2-CG 4.36Å; L242-E244 HydrophobicContact CG-CG 3.98Å; L242-I299 HydrophobicContact CD1-CB 3.78Å; L242-I299 HydrophobicContact CD1-CG2 3.67Å
243	V	85.2	Confident	69	Low	7 Å²	7	63.9 Å²	63.9	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	93.5	179.6	-176	0	0	0	0	108.6	F241 I298 I299 A300 S301 L305 V309	F241-V243 HydrophobicContact CD1-CG2 3.55Å; F241-V243 HydrophobicContact CE1-CG2 3.63Å; V243-I298 HydrophobicContact CB-CG2 4.32Å; V243-I298 HydrophobicContact CG2-CG2 3.48Å; V243-I298 VanDerWaalsContact CG2-CG2 3.48Å; V243-I299 PolarHBondContact N-O 3.15Å; V243-A300 HydrophobicContact CB-CB 4.19Å; V243-S301 PolarHBondContact O-N 3.27Å; V243-L305 HydrophobicContact CG1-CB 3.39Å; V243-L305 HydrophobicContact CG1-CD1 4.18Å; V243-L305 HydrophobicContact CG1-CG 4.43Å; V243-V309 HydrophobicContact CG1-CG2 4.44Å; V243-V309 HydrophobicContact CG2-CG2 3.83Å
244	E	73.4	Confident	66	Low	95 Å²	95	67.5 Å²	67.5	44%	0.444	40%	0.404	S	S	.	.			trans	-121	148.6	175.2	-71.2	176.4	174.2	0	0	110.1	L242 A246	L242-E244 HydrophobicContact CD1-CG 3.91Å; L242-E244 HydrophobicContact CD2-CG 4.36Å; L242-E244 HydrophobicContact CG-CG 3.98Å; E244-A246 PolarHBondContact O-N 3.28Å
245	T	61.1	Low	62.9	Low	56 Å²	56	72.2 Å²	72.2	34%	0.344	44%	0.438	S	S	.	.			trans	-63.8	130.9	168.2	45.4	0	0	0	0	109.1	S247 D302 L305	T245-S247 PolarHBondContact O-N 3.06Å; T245-D302 HydrophobicContact CG2-CB 4.05Å; T245-D302 WeakPolarHBondContact CG2-OD2 3.42Å; T245-L305 HydrophobicContact CG2-CD1 4.32Å
246	A	51.6	Low	59.6	Low	68 Å²	68	78 Å²	78	56%	0.562	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	20.8	-179.3	0	0	0	0	0	115.3	E244	E244-A246 PolarHBondContact O-N 3.28Å
247	S	45.6	Very low	56.5	Low	81 Å²	81	87.4 Å²	87.4	57%	0.566	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-15.1	-178.7	57.6	0	0	0	0	114.6	T245	T245-S247 PolarHBondContact O-N 3.06Å
248	E	40.2	Very low	53.3	Low	157 Å²	157	97.6 Å²	97.6	73%	0.734	56%	0.563	S	S	*	*	S	Bend	trans	-90.5	-19	-174.9	-67.4	-167.7	177.2	0	0	114.8
249	T	31.9	Very low	50.2	Low	139 Å²	139	106.2 Å²	106.2	85%	0.853	60%	0.6	S	S	*	*	S	Bend	trans	-96.9	-2.7	176.1	46.3	0	0	0	0	114.5
250	A	29.6	Very low	47.3	Very low	69 Å²	69	116 Å²	116	57%	0.57	64%	0.642	S	S	*	*			trans	-112.2	16.9	-172.9	0	0	0	0	0	114.8	E252	A250-E252 PolarHBondContact O-N 3.09Å; A250-E252 VanDerWaalsContact O-N 3.09Å
251	S	30.5	Very low	44.8	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	7.2	-176.2	69.4	0	0	0	0	115.7
252	E	29.4	Very low	42.4	Very low	178 Å²	178	131.4 Å²	131.4	83%	0.832	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-3.2	-177.6	-69.9	-159.9	160.7	0	0	116.8	A250	A250-E252 PolarHBondContact O-N 3.09Å; A250-E252 VanDerWaalsContact O-N 3.09Å
253	L	27.5	Very low	40.7	Very low	159 Å²	159	129.8 Å²	129.8	83%	0.832	70%	0.697	S	S	*	*			trans	-132.3	102.3	171.4	-94.2	96.4	0	0	0	112.6	S255	L253-S255 PolarHBondContact O-N 3.33Å
254	G	25.8	Very low	39.9	Very low	81 Å²	81	135.2 Å²	135.2	84%	0.835	74%	0.735	S	S	*	*			trans	-55.2	121.7	167.1	0	0	0	0	0	111.5
255	S	27.8	Very low	40.3	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	73%	0.726	S	S	*	*			trans	-170.3	126.7	141.1	48.3	0	0	0	0	110.7	L253	L253-S255 PolarHBondContact O-N 3.33Å
256	S	27.1	Very low	41.5	Very low	122 Å²	122	138.3 Å²	138.3	85%	0.853	75%	0.745	S	S	*	*			trans	-60.1	125.9	177.2	-55.2	0	0	0	0	112.7
257	K	31.3	Very low	43.4	Very low	196 Å²	196	135 Å²	135	85%	0.852	72%	0.718	S	S	*	*			trans	-175.9	109.5	138.9	-103.2	163.8	-173.8	175.1	0	109.5	K259	K257-K259 PolarHBondContact O-N 3.09Å
258	K	30.8	Very low	45.5	Very low	223 Å²	223	133.5 Å²	133.5	97%	0.97	71%	0.706	S	S	*	*			trans	-64.1	66.8	170.6	-76.9	178.8	173.1	175.3	0	111.1
259	K	30.8	Very low	48	Very low	181 Å²	181	132.3 Å²	132.3	79%	0.787	70%	0.698	S	S	*	*			trans	-76.4	124	158.9	-94.7	-179.3	174	177.5	0	106.2	K257 R261	K257-K259 PolarHBondContact O-N 3.09Å; K259-R261 PolarHBondContact O-N 2.89Å
260	K	35.9	Very low	50.9	Low	216 Å²	216	127 Å²	127	94%	0.939	67%	0.666	S	S	*	*			trans	-52.3	86.2	163.9	-83.9	178.7	171.4	176.6	0	107.6	K262	K260-K262 PolarHBondContact O-N 3.34Å
261	R	40.5	Very low	53.5	Low	209 Å²	209	126.9 Å²	126.9	79%	0.789	66%	0.655	S	S	*	*			trans	-65.3	104.9	171.3	-83.7	175.7	66.2	144.2	-3.2	104.2	K259 T263	K259-R261 PolarHBondContact O-N 2.89Å; R261-T263 PolarHBondContact O-N 3.48Å
262	K	43.7	Very low	56.1	Low	203 Å²	203	129.1 Å²	129.1	88%	0.883	66%	0.659	S	S	*	*			trans	-55.6	101.1	157.5	-90.4	-176.8	171.8	-178.7	0	104.7	K260 S264	K260-K262 PolarHBondContact O-N 3.34Å; K262-S264 VanDerWaalsContact C-N 3.26Å; K262-S264 PolarHBondContact O-N 2.85Å
263	T	55.4	Low	58.6	Low	63 Å²	63	122.4 Å²	122.4	39%	0.387	63%	0.628	S	S	.	*			trans	-66.9	93.9	170.8	44.1	0	0	0	0	105.8	R261 F265	R261-T263 PolarHBondContact O-N 3.48Å; T263-F265 WeakPolarHBondContact O-CD1 3.12Å; T263-F265 PolarHBondContact O-N 2.83Å
264	S	67.8	Low	61.4	Low	121 Å²	121	119.2 Å²	119.2	85%	0.846	61%	0.612	S	S	*	*			trans	-71.1	110.9	169	54.1	0	0	0	0	106.8	K262	K262-S264 VanDerWaalsContact C-N 3.26Å; K262-S264 PolarHBondContact O-N 2.85Å
265	F	81.2	Confident	64.2	Low	60 Å²	60	118.7 Å²	118.7	26%	0.263	59%	0.59	S	S	.	*			trans	-113.8	150.3	168.4	58.8	-97.1	0	0	0	107.9	F241 T263 V267 Q308 V309 H312	F241-F265 HydrophobicContact CZ-CB 4.19Å; F241-F265 HydrophobicContact CZ-CD2 4.33Å; T263-F265 WeakPolarHBondContact O-CD1 3.12Å; T263-F265 PolarHBondContact O-N 2.83Å; F265-V267 HydrophobicContact CD2-CG2 4.19Å; F265-V267 HydrophobicContact CE2-CG2 4.27Å; F265-Q308 HydrophobicContact CE1-CB 3.87Å; F265-Q308 HydrophobicContact CZ-CB 3.62Å; F265-V309 HydrophobicContact CD2-CG2 3.87Å; F265-V309 HydrophobicContact CE1-CG2 4.21Å; F265-V309 HydrophobicContact CE2-CB 4.16Å; F265-V309 HydrophobicContact CE2-CG2 3.52Å; F265-V309 HydrophobicContact CG-CG2 4.38Å; F265-V309 HydrophobicContact CZ-CB 4.43Å; F265-V309 HydrophobicContact CZ-CG2 3.7Å; F265-H312 HydrophobicContact CE2-CB 4.48Å
266	E	86.5	Confident	67	Low	155 Å²	155	118 Å²	118	72%	0.724	59%	0.585	S	S	*	*			trans	-121.2	117.2	175	-175.8	170	-168.2	0	0	108.1
267	V	91.1	Very high	69.8	Low	0 Å²	0	117.1 Å²	117.1	0%	0	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-77.3	125.6	175.5	-178.3	0	0	0	0	107.7	F241 F265 L296 V309 H312 N314	F241-V267 HydrophobicContact CE1-CG2 4.42Å; F241-V267 HydrophobicContact CZ-CG2 4.43Å; F265-V267 HydrophobicContact CD2-CG2 4.19Å; F265-V267 HydrophobicContact CE2-CG2 4.27Å; V267-L296 HydrophobicContact CG1-CD1 4.28Å; V267-L296 HydrophobicContact CG1-CD2 3.89Å; V267-V309 HydrophobicContact CG2-CG1 3.77Å; V267-H312 HydrophobicContact CB-CB 4.35Å; V267-H312 HydrophobicContact CG2-CB 3.7Å; V267-N314 HydrophobicContact CB-CB 4.3Å; V267-N314 HydrophobicContact CG1-CB 4.46Å; V267-N314 WeakPolarHBondContact O-CB 3.37Å; V267-N314 PolarHBondContact O-ND2 3.26Å
268	P	91.5	Very high	72.7	Confident	49 Å²	49	108.2 Å²	108.2	32%	0.318	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-59.8	146.4	179.4	-23.5	33.5	0	0	0	112	T239 Y318	T239-P268 HydrophobicContact CG2-CB 4.21Å; T239-P268 HydrophobicContact CG2-CG 4.22Å; P268-Y318 VanDerWaalsContact O-CE2 3.31Å; P268-Y318 WeakPolarHBondContact O-CE2 3.44Å; P268-Y318 PolarHBondContact O-OH 3.18Å
269	K	92.2	Very high	75.6	Confident	132 Å²	132	102 Å²	102	57%	0.574	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-72.2	151.7	169	-66.8	-175.9	179.8	-179.7	0	110.7	N314 L317 Y318	K269-N314 HydrophobicContact CG-CB 4.33Å; K269-N314 WeakPolarHBondContact CG-ND2 3.35Å; K269-L317 HydrophobicContact CD-CD1 4.43Å; K269-L317 HydrophobicContact CG-CD1 4.1Å; K269-Y318 PolarHBondContact O-OH 3.15Å
270	P	91.9	Very high	78.4	Confident	28 Å²	28	94.9 Å²	94.9	18%	0.182	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-49.4	146.7	166.8	-26.3	34.5	0	0	0	111.8	L317 Y318	P270-L317 HydrophobicContact CG-CB 3.74Å; P270-Y318 HydrophobicContact CB-CD1 4.38Å; P270-Y318 HydrophobicContact CB-CE1 4.18Å; P270-Y318 HydrophobicContact CG-CD1 3.86Å; P270-Y318 HydrophobicContact CG-CD2 3.96Å; P270-Y318 HydrophobicContact CG-CE1 3.86Å; P270-Y318 HydrophobicContact CG-CE2 3.95Å; P270-Y318 HydrophobicContact CG-CG 3.92Å
271	L	85.6	Confident	80.8	Confident	65 Å²	65	87.5 Å²	87.5	34%	0.34	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-92.3	127.8	176.3	179.7	68.9	0	0	0	109.6	L219 I273	L219-L271 HydrophobicContact CD2-CD2 3.51Å; L271-I273 HydrophobicContact CD2-CG1 4.11Å; L271-I273 HydrophobicContact CG-CG1 4.25Å; L271-I273 PolarHBondContact O-N 3.25Å
272	D	83.2	Confident	82.6	Confident	156 Å²	156	79.1 Å²	79.1	83%	0.834	43%	0.433	S	S	*	.			trans	-78.1	113.7	167	-60.8	-39.1	0	0	0	108.8
273	I	83.8	Confident	84.4	Confident	37 Å²	37	69.6 Å²	69.6	19%	0.19	39%	0.392	C	S	.	.			trans	-95.4	122.8	176.5	-58.1	-176	0	0	0	108.2	L219 L220 V223 I237 L271 I275	L219-I273 HydrophobicContact CD2-CD1 3.6Å; L219-I273 HydrophobicContact CD2-CG1 4.21Å; L219-I273 HydrophobicContact CG-CD1 3.98Å; L220-I273 HydrophobicContact CD1-CG2 4.43Å; V223-I273 HydrophobicContact CG2-CD1 4.32Å; I237-I273 HydrophobicContact CB-CD1 4.35Å; I237-I273 HydrophobicContact CD1-CD1 3.56Å; I237-I273 HydrophobicContact CG1-CD1 3.5Å; I237-I273 VanDerWaalsContact CG1-CD1 3.5Å; I237-I273 HydrophobicContact CG2-CD1 4.1Å; L271-I273 HydrophobicContact CD2-CG1 4.11Å; L271-I273 HydrophobicContact CG-CG1 4.25Å; L271-I273 PolarHBondContact O-N 3.25Å; I273-I275 HydrophobicContact CG2-CG2 4.15Å; I273-I275 PolarHBondContact O-N 2.92Å; I273-I275 VanDerWaalsContact O-N 3.13Å
274	D	85.3	Confident	85.6	Confident	93 Å²	93	72.6 Å²	72.6	50%	0.497	40%	0.401	S	S	.	.			trans	-71.9	104.8	168.7	179.8	19.9	0	0	0	110.1	S276	D274-S276 WeakPolarHBondContact OD1-CB 3.47Å; D274-S276 PolarHBondContact OD1-N 2.94Å; D274-S276 PolarHBondContact OD1-OG 3.35Å
275	I	84.6	Confident	85.9	Confident	70 Å²	70	70.9 Å²	70.9	36%	0.359	39%	0.394	S	S	.	.			trans	-91.5	3.8	177.9	60	171.3	0	0	0	113	I273 N277 V278 L290 I292	I273-I275 HydrophobicContact CG2-CG2 4.15Å; I273-I275 PolarHBondContact O-N 2.92Å; I273-I275 VanDerWaalsContact O-N 3.13Å; I275-N277 PolarHBondContact O-N 3.33Å; I275-V278 HydrophobicContact CB-CG2 4.22Å; I275-V278 HydrophobicContact CG2-CG2 4.48Å; I275-V278 WeakPolarHBondContact O-CB 3.45Å; I275-V278 PolarHBondContact O-N 3.07Å; I275-L290 HydrophobicContact CD1-CD2 4.43Å; I275-I292 HydrophobicContact CG2-CD1 3.5Å
276	S	87.1	Confident	85.1	Confident	100 Å²	100	69.7 Å²	69.7	70%	0.699	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.1	-176.1	-52.6	0	0	0	0	113	D274	D274-S276 WeakPolarHBondContact OD1-CB 3.47Å; D274-S276 PolarHBondContact OD1-N 2.94Å; D274-S276 PolarHBondContact OD1-OG 3.35Å
277	N	86.3	Confident	84.4	Confident	102 Å²	102	66 Å²	66	55%	0.545	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.6	179.3	-67.3	-52.9	0	0	0	114	K224 I275	K224-N277 WeakPolarHBondContact CE-O 3.22Å; K224-N277 PolarHBondContact NZ-O 3.04Å; I275-N277 PolarHBondContact O-N 3.33Å
278	V	91.3	Very high	83.7	Confident	9 Å²	9	67.5 Å²	67.5	6%	0.055	40%	0.4	C	S	.	.	S	Bend	trans	-90.2	122.8	178.1	-178.6	0	0	0	0	108.4	L220 V223 K224 V227 E228 I275 T280 L290	L220-V278 HydrophobicContact CD1-CG2 3.91Å; V223-V278 HydrophobicContact CG1-CG2 4.25Å; K224-V278 HydrophobicContact CG-CG2 3.96Å; V227-V278 HydrophobicContact CB-CG1 3.83Å; V227-V278 HydrophobicContact CG1-CG1 3.79Å; V227-V278 HydrophobicContact CG2-CG1 4.16Å; E228-V278 HydrophobicContact CG-CG1 4.41Å; I275-V278 HydrophobicContact CB-CG2 4.22Å; I275-V278 HydrophobicContact CG2-CG2 4.48Å; I275-V278 WeakPolarHBondContact O-CB 3.45Å; I275-V278 PolarHBondContact O-N 3.07Å; V278-T280 PolarHBondContact O-N 2.72Å; V278-L290 HydrophobicContact CG1-CD2 4.28Å
279	D	91.9	Very high	83.4	Confident	93 Å²	93	68.8 Å²	68.8	50%	0.497	41%	0.411	S	S	.	.			trans	-72.3	119.8	176.5	-177.1	13.8	0	0	0	110.5	E228 S281	E228-D279 HydrophobicContact CG-CB 4.13Å; E228-D279 PolarHBondContact OE1-N 3.44Å; D279-S281 VanDerWaalsContact CG-OG 3.26Å; D279-S281 WeakPolarHBondContact OD1-CB 3.35Å; D279-S281 PolarHBondContact OD1-N 3.03Å; D279-S281 PolarHBondContact OD1-OG 2.89Å; D279-S281 PolarHBondContact OD2-OG 3.27Å
280	T	88.3	Confident	83.3	Confident	32 Å²	32	63.8 Å²	63.8	20%	0.196	39%	0.39	C	S	.	.			trans	-113.7	8.6	178.8	57.5	0	0	0	0	112.7	V227 V278 A282 L283 Q284 L290	V227-T280 HydrophobicContact CG1-CG2 4.38Å; V278-T280 PolarHBondContact O-N 2.72Å; T280-A282 VanDerWaalsContact C-N 3.31Å; T280-A282 PolarHBondContact O-N 2.89Å; T280-L283 WeakPolarHBondContact O-CA 3.32Å; T280-L283 WeakPolarHBondContact O-CB 3.42Å; T280-L283 PolarHBondContact O-N 2.67Å; T280-Q284 WeakPolarHBondContact O-CG 3.42Å; T280-Q284 PolarHBondContact O-N 3.21Å; T280-Q284 PolarHBondContact OG1-NE2 3.31Å; T280-Q284 VanDerWaalsContact OG1-NE2 3.13Å; T280-L290 HydrophobicContact CG2-CB 3.93Å; T280-L290 HydrophobicContact CG2-CD2 4.01Å
281	S	87.1	Confident	83.2	Confident	60 Å²	60	68.6 Å²	68.6	42%	0.42	40%	0.404	S	S	.	.	H	α-helix	trans	-52.4	-46	-178.2	58.8	0	0	0	0	112.8	D279 L283 Q284 A285	D279-S281 VanDerWaalsContact CG-OG 3.26Å; D279-S281 WeakPolarHBondContact OD1-CB 3.35Å; D279-S281 PolarHBondContact OD1-N 3.03Å; D279-S281 PolarHBondContact OD1-OG 2.89Å; D279-S281 PolarHBondContact OD2-OG 3.27Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.37Å; S281-Q284 PolarHBondContact O-N 3.27Å; S281-A285 WeakPolarHBondContact O-CB 3.35Å; S281-A285 PolarHBondContact O-N 3.23Å
282	A	79.2	Confident	83.6	Confident	34 Å²	34	68 Å²	68	28%	0.281	40%	0.401	S	S	.	.	H	α-helix	trans	-64.1	-31.2	177.6	0	0	0	0	0	113.2	K231 T280 N286	K231-A282 HydrophobicContact CD-CB 4.46Å; T280-A282 VanDerWaalsContact C-N 3.31Å; T280-A282 PolarHBondContact O-N 2.89Å; A282-N286 PolarHBondContact O-ND2 3.22Å
283	L	80.5	Confident	84.2	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-74.1	-45.1	174.4	-63.6	-177.6	0	0	0	110.6	V227 D233 T280 S281 A285 N286 G287 K288 L290	V227-L283 HydrophobicContact CG1-CD1 3.94Å; D233-L283 HydrophobicContact CB-CD1 4.18Å; D233-L283 HydrophobicContact CB-CD2 3.92Å; T280-L283 WeakPolarHBondContact O-CA 3.32Å; T280-L283 WeakPolarHBondContact O-CB 3.42Å; T280-L283 PolarHBondContact O-N 2.67Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.37Å; L283-A285 PolarHBondContact O-N 3.04Å; L283-N286 CarbonylContact O-C 3.53Å; L283-N286 WeakPolarHBondContact O-CA 3.3Å; L283-N286 PolarHBondContact O-N 3.42Å; L283-G287 PolarHBondContact O-N 3.18Å; L283-K288 CarbonylContact C-O 3.57Å; L283-K288 VanDerWaalsContact C-O 3.25Å; L283-K288 HydrophobicContact CB-CB 4.23Å; L283-K288 WeakPolarHBondContact O-CA 3.41Å; L283-K288 WeakPolarHBondContact O-CB 3.32Å; L283-K288 PolarHBondContact O-N 3.36Å; L283-L290 HydrophobicContact CD1-CB 4Å
284	Q	82.1	Confident	84.7	Confident	126 Å²	126	60.9 Å²	60.9	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-63.3	-41	-179.6	-67.8	174.9	1.3	0	0	112.1	T280 S281 N286 G287 K288	T280-Q284 WeakPolarHBondContact O-CG 3.42Å; T280-Q284 PolarHBondContact O-N 3.21Å; T280-Q284 PolarHBondContact OG1-NE2 3.31Å; T280-Q284 VanDerWaalsContact OG1-NE2 3.13Å; S281-Q284 PolarHBondContact O-N 3.27Å; Q284-N286 PolarHBondContact O-N 3.39Å; Q284-N286 VanDerWaalsContact O-N 3.15Å; Q284-G287 PolarHBondContact O-N 2.83Å; Q284-K288 PolarHBondContact N-O 2.94Å
285	A	72.2	Confident	85.3	Confident	84 Å²	84	56.5 Å²	56.5	69%	0.694	34%	0.339	S	S	*	.	H	α-helix	trans	-57.5	-27.2	174.1	0	0	0	0	0	112.5	S281 L283	S281-A285 WeakPolarHBondContact O-CB 3.35Å; S281-A285 PolarHBondContact O-N 3.23Å; L283-A285 PolarHBondContact O-N 3.04Å
286	N	66.4	Low	85.9	Confident	36 Å²	36	53.1 Å²	53.1	19%	0.193	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	14	177.2	-70.4	-50.3	0	0	0	113.4	M200 A282 L283 Q284 K288	M200-N286 PolarHBondContact SD-ND2 2.97Å; A282-N286 PolarHBondContact O-ND2 3.22Å; L283-N286 CarbonylContact O-C 3.53Å; L283-N286 WeakPolarHBondContact O-CA 3.3Å; L283-N286 PolarHBondContact O-N 3.42Å; Q284-N286 PolarHBondContact O-N 3.39Å; Q284-N286 VanDerWaalsContact O-N 3.15Å; N286-K288 PolarHBondContact O-N 3.17Å
287	G	70.2	Confident	86.4	Confident	76 Å²	76	48.4 Å²	48.4	78%	0.784	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	19.7	-179.5	0	0	0	0	0	114.2	L283 Q284	L283-G287 PolarHBondContact O-N 3.18Å; Q284-G287 PolarHBondContact O-N 2.83Å
288	K	77	Confident	86.9	Confident	32 Å²	32	43.6 Å²	43.6	14%	0.139	26%	0.263	C	S	.	.			trans	-110	152.5	-177.7	-64	179	172.4	-166	0	112	M200 S201 D233 L283 Q284 N286	M200-K288 WeakPolarHBondContact O-CE 3.42Å; M200-K288 PolarHBondContact O-NZ 3.07Å; S201-K288 PolarHBondContact O-NZ 3.44Å; D233-K288 HydrophobicContact CB-CD 4.32Å; D233-K288 WeakPolarHBondContact OD2-CD 3.22Å; D233-K288 IonicContact OD2-NZ 3.81Å; D233-K288 PolarHBondContact OD2-NZ 3.05Å; L283-K288 CarbonylContact C-O 3.57Å; L283-K288 VanDerWaalsContact C-O 3.25Å; L283-K288 HydrophobicContact CB-CB 4.23Å; L283-K288 WeakPolarHBondContact O-CA 3.41Å; L283-K288 WeakPolarHBondContact O-CB 3.32Å; L283-K288 PolarHBondContact O-N 3.36Å; Q284-K288 PolarHBondContact N-O 2.94Å; N286-K288 PolarHBondContact O-N 3.17Å
289	S	85.2	Confident	87.1	Confident	77 Å²	77	44.6 Å²	44.6	54%	0.538	27%	0.268	S	S	.	.			trans	-120.1	140.5	171.4	56.9	0	0	0	0	110.6	R291	S289-R291 PolarHBondContact O-N 3.42Å
290	L	89.8	Confident	87.3	Confident	26 Å²	26	40.2 Å²	40.2	14%	0.136	25%	0.245	C	C	.	.			trans	-65.1	128.7	174.4	176.2	61.2	0	0	0	109.8	V227 D233 I275 V278 T280 L283 I292	V227-L290 HydrophobicContact CG1-CD1 4.47Å; V227-L290 HydrophobicContact CG1-CD2 4.36Å; V227-L290 HydrophobicContact CG2-CD1 3.54Å; V227-L290 HydrophobicContact CG2-CD2 3.91Å; V227-L290 HydrophobicContact CG2-CG 4.38Å; D233-L290 CarbonylContact O-C 3.55Å; D233-L290 WeakPolarHBondContact O-CA 3.47Å; I275-L290 HydrophobicContact CD1-CD2 4.43Å; V278-L290 HydrophobicContact CG1-CD2 4.28Å; T280-L290 HydrophobicContact CG2-CB 3.93Å; T280-L290 HydrophobicContact CG2-CD2 4.01Å; L283-L290 HydrophobicContact CD1-CB 4Å; L290-I292 HydrophobicContact CD1-CG1 4.24Å; L290-I292 HydrophobicContact CD2-CD1 4.27Å; L290-I292 HydrophobicContact CD2-CG1 4.39Å; L290-I292 HydrophobicContact CG-CG1 4.13Å
291	R	90.5	Very high	87.5	Confident	129 Å²	129	40.7 Å²	40.7	49%	0.487	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127	171.1	-63.4	-171.2	-176.2	-167.3	1.7	110.5	D233 T234 L235 S289 Y293	D233-R291 PolarHBondContact O-N 3.31Å; T234-R291 WeakPolarHBondContact CA-O 3.45Å; L235-R291 PolarHBondContact N-O 3.25Å; S289-R291 PolarHBondContact O-N 3.42Å; R291-Y293 HydrophobicContact CB-CE2 3.87Å
292	I	93.5	Very high	87.8	Confident	53 Å²	53	39.4 Å²	39.4	27%	0.272	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.5	175.2	-55.9	-167.2	0	0	0	108.9	V223 L235 I237 I275 L290	V223-I292 HydrophobicContact CG1-CD1 3.88Å; L235-I292 HydrophobicContact CB-CG1 4.44Å; L235-I292 CarbonylContact O-C 3.55Å; L235-I292 WeakPolarHBondContact O-CA 3.43Å; I237-I292 HydrophobicContact CD1-CG2 4.09Å; I237-I292 HydrophobicContact CG1-CG2 3.49Å; I237-I292 VanDerWaalsContact CG1-CG2 3.49Å; I275-I292 HydrophobicContact CG2-CD1 3.5Å; L290-I292 HydrophobicContact CD1-CG1 4.24Å; L290-I292 HydrophobicContact CD2-CD1 4.27Å; L290-I292 HydrophobicContact CD2-CG1 4.39Å; L290-I292 HydrophobicContact CG-CG1 4.13Å
293	Y	95.2	Very high	88.5	Confident	26 Å²	26	41.1 Å²	41.1	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	149.8	177.2	-62.6	-92.3	0	0	0	110.5	T234 L235 A236 I237 R291 D319 L447 E451	T234-Y293 HydrophobicContact CG2-CD2 4.23Å; T234-Y293 HydrophobicContact CG2-CE2 3.82Å; L235-Y293 PolarHBondContact O-N 2.86Å; A236-Y293 CarbonylContact C-O 3.53Å; A236-Y293 VanDerWaalsContact CA-O 3.27Å; A236-Y293 WeakPolarHBondContact CA-O 3.43Å; I237-Y293 PolarHBondContact N-O 2.83Å; R291-Y293 HydrophobicContact CB-CE2 3.87Å; Y293-D319 HydrophobicContact CD1-CB 3.93Å; Y293-L447 HydrophobicContact CD1-CD2 3.94Å; Y293-L447 HydrophobicContact CD2-CD1 4.36Å; Y293-L447 HydrophobicContact CD2-CD2 3.82Å; Y293-L447 HydrophobicContact CE1-CD2 3.9Å; Y293-L447 HydrophobicContact CE2-CD1 3.76Å; Y293-L447 HydrophobicContact CE2-CD2 3.79Å; Y293-L447 HydrophobicContact CE2-CG 4.37Å; Y293-L447 HydrophobicContact CG-CD2 3.89Å; Y293-E451 PolarHBondContact OH-OE1 2.76Å
294	S	95.6	Very high	89.1	Confident	18 Å²	18	46.7 Å²	46.7	13%	0.126	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.3	168.4	61	0	0	0	0	110.5	Y318 D319 L320	S294-Y318 WeakPolarHBondContact OG-CA 3.39Å; S294-D319 PolarHBondContact N-OD2 3.11Å; S294-D319 WeakPolarHBondContact O-CA 3.28Å; S294-D319 WeakPolarHBondContact O-CB 3.5Å; S294-D319 PolarHBondContact O-N 3.02Å; S294-D319 PolarHBondContact OG-N 3.28Å; S294-D319 PolarHBondContact OG-OD2 3.33Å; S294-L320 PolarHBondContact O-N 3.25Å
295	R	97	Very high	89.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.4	177.5	173.5	-179.6	163.9	171.5	-2.9	110.8	L206 A236 I237 N238 T239 T297 L320 E371	L206-R295 WeakPolarHBondContact O-CD 3.41Å; L206-R295 PolarHBondContact O-NH1 3.31Å; A236-R295 HydrophobicContact CB-CB 4.14Å; I237-R295 PolarHBondContact O-N 3.2Å; N238-R295 CarbonylContact C-O 3.52Å; N238-R295 WeakPolarHBondContact CA-O 3.34Å; N238-R295 HydrophobicContact CB-CB 4.36Å; N238-R295 HydrophobicContact CB-CG 4.25Å; T239-R295 PolarHBondContact N-O 2.9Å; R295-T297 PolarHBondContact NE-OG1 3.48Å; R295-T297 PolarHBondContact NH2-OG1 3.34Å; R295-L320 WeakPolarHBondContact CA-O 3.42Å; R295-L320 HydrophobicContact CB-CB 4.13Å; R295-L320 HydrophobicContact CG-CB 4.19Å; R295-E371 IonicContact CZ-OE1 3.75Å; R295-E371 IonicContact CZ-OE2 3.04Å; R295-E371 IonicContact NH1-OE1 2.69Å; R295-E371 PolarHBondContact NH1-OE1 3.31Å; R295-E371 IonicContact NH2-OE1 2.72Å; R295-E371 PolarHBondContact NH2-OE1 3.13Å; R295-E371 IonicContact NH2-OE2 3.39Å; R295-E371 PolarHBondContact NH2-OE2 2.96Å
296	L	97.5	Very high	90.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.9	167.5	-179.4	68	0	0	0	109	T239 F241 V267 I298 T315 Y318 L320 L321 A322	T239-L296 HydrophobicContact CG2-CD1 4.47Å; F241-L296 HydrophobicContact CB-CD1 4.1Å; V267-L296 HydrophobicContact CG1-CD1 4.28Å; V267-L296 HydrophobicContact CG1-CD2 3.89Å; L296-I298 HydrophobicContact CD2-CD1 4.11Å; L296-I298 HydrophobicContact CD2-CG1 4Å; L296-I298 HydrophobicContact CG-CG1 4.03Å; L296-T315 HydrophobicContact CD2-CG2 3.94Å; L296-Y318 HydrophobicContact CB-CD1 3.76Å; L296-Y318 HydrophobicContact CB-CD2 3.75Å; L296-Y318 HydrophobicContact CB-CE1 3.99Å; L296-Y318 HydrophobicContact CB-CE2 3.99Å; L296-Y318 HydrophobicContact CB-CG 3.63Å; L296-Y318 HydrophobicContact CD1-CE2 4.13Å; L296-Y318 HydrophobicContact CD2-CD2 4.12Å; L296-Y318 HydrophobicContact CD2-CE2 4.14Å; L296-Y318 HydrophobicContact CG-CD2 4.4Å; L296-Y318 HydrophobicContact CG-CE2 4.32Å; L296-L320 PolarHBondContact N-O 2.98Å; L296-L321 HydrophobicContact CB-CD1 4.27Å; L296-L321 HydrophobicContact CD2-CD1 4.07Å; L296-L321 HydrophobicContact CG-CD1 4.34Å; L296-A322 PolarHBondContact O-N 3.39Å
297	T	97.8	Very high	92	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.9	170.2	-57.5	0	0	0	0	110	N238 T239 E240 F241 R295 A322	N238-T297 PolarHBondContact ND2-OG1 3.44Å; N238-T297 VanDerWaalsContact OD1-CB 3.23Å; N238-T297 WeakPolarHBondContact OD1-CB 3.41Å; N238-T297 PolarHBondContact OD1-N 3.3Å; N238-T297 PolarHBondContact OD1-OG1 2.62Å; T239-T297 PolarHBondContact O-N 2.99Å; E240-T297 CarbonylContact C-O 3.45Å; E240-T297 WeakPolarHBondContact CA-O 3.35Å; F241-T297 PolarHBondContact N-O 3.38Å; R295-T297 PolarHBondContact NE-OG1 3.48Å; R295-T297 PolarHBondContact NH2-OG1 3.34Å; T297-A322 CarbonylContact C-O 3.14Å; T297-A322 VanDerWaalsContact CA-O 3.27Å; T297-A322 WeakPolarHBondContact CA-O 3.23Å; T297-A322 HydrophobicContact CG2-CB 4.18Å
298	I	97.1	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.8	176.1	-53.5	169.5	0	0	0	108.8	F241 V243 L296 A300 L306 V309 L321 A322 I323 C324	F241-I298 CarbonylContact O-C 3.57Å; F241-I298 WeakPolarHBondContact O-CA 3.4Å; V243-I298 HydrophobicContact CB-CG2 4.32Å; V243-I298 HydrophobicContact CG2-CG2 3.48Å; V243-I298 VanDerWaalsContact CG2-CG2 3.48Å; L296-I298 HydrophobicContact CD2-CD1 4.11Å; L296-I298 HydrophobicContact CD2-CG1 4Å; L296-I298 HydrophobicContact CG-CG1 4.03Å; I298-A300 HydrophobicContact CG2-CB 4.21Å; I298-L306 HydrophobicContact CB-CD1 4.34Å; I298-L306 HydrophobicContact CD1-CD1 4.04Å; I298-L306 HydrophobicContact CG2-CD1 3.89Å; I298-V309 HydrophobicContact CD1-CB 4.48Å; I298-V309 HydrophobicContact CD1-CG1 3.56Å; I298-V309 HydrophobicContact CG1-CG1 4.22Å; I298-V309 HydrophobicContact CG2-CG1 4.48Å; I298-L321 HydrophobicContact CD1-CD1 3.92Å; I298-L321 HydrophobicContact CG1-CD1 4.35Å; I298-A322 PolarHBondContact N-O 2.93Å; I298-I323 HydrophobicContact CB-CD1 3.7Å; I298-I323 HydrophobicContact CD1-CD1 3.81Å; I298-I323 HydrophobicContact CG1-CD1 4.08Å; I298-I323 CarbonylContact O-C 3.58Å; I298-I323 WeakPolarHBondContact O-CA 3.35Å; I298-C324 PolarHBondContact O-N 2.82Å
299	I	95.9	Very high	93.9	Very high	31 Å²	31	38.8 Å²	38.8	16%	0.159	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115	173.2	-55.5	166.6	0	0	0	106.7	F241 L242 V243 C324 L326	F241-I299 PolarHBondContact O-N 3.02Å; L242-I299 HydrophobicContact CD1-CB 3.78Å; L242-I299 HydrophobicContact CD1-CG2 3.67Å; V243-I299 PolarHBondContact N-O 3.15Å; I299-C324 HydrophobicContact CB-CB 4.31Å; I299-C324 HydrophobicContact CG1-CB 3.95Å; I299-C324 HydrophobicContact CG2-CB 4.3Å; I299-L326 HydrophobicContact CG2-CD1 3.78Å; I299-L326 HydrophobicContact CG2-CD2 4.42Å; I299-L326 HydrophobicContact CG2-CG 4.14Å
300	A	95.1	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.7	-169.1	0	0	0	0	0	113.1	V243 I298 L306 C324 L326 V330	V243-A300 HydrophobicContact CB-CB 4.19Å; I298-A300 HydrophobicContact CG2-CB 4.21Å; A300-L306 HydrophobicContact CB-CB 4.16Å; A300-L306 HydrophobicContact CB-CD1 4.32Å; A300-L306 HydrophobicContact CB-CD2 4.33Å; A300-C324 PolarHBondContact N-O 3.07Å; A300-C324 VanDerWaalsContact N-O 3.08Å; A300-L326 WeakPolarHBondContact O-CB 3.44Å; A300-L326 PolarHBondContact O-N 2.97Å; A300-V330 HydrophobicContact CB-CG1 4.16Å; A300-V330 HydrophobicContact CB-CG2 4.25Å
301	S	92.8	Very high	94.5	Very high	43 Å²	43	43 Å²	43	30%	0.301	20%	0.202	S	C	.	.	S	Bend	trans	-98.1	-35.8	165.7	55.4	0	0	0	0	111.9	V243 S327	V243-S301 PolarHBondContact O-N 3.27Å; S301-S327 PolarHBondContact O-OG 3.2Å
302	D	93.9	Very high	94.7	Very high	32 Å²	32	38.5 Å²	38.5	17%	0.171	19%	0.187	C	C	.	.			trans	-93	117.5	-178.1	-171	-56.7	0	0	0	112.3	T245 E304 L305 L306	T245-D302 HydrophobicContact CG2-CB 4.05Å; T245-D302 WeakPolarHBondContact CG2-OD2 3.42Å; D302-E304 WeakPolarHBondContact OD1-CA 3.48Å; D302-E304 WeakPolarHBondContact OD1-CB 3.42Å; D302-E304 PolarHBondContact OD1-N 3.05Å; D302-L305 HydrophobicContact CB-CB 4.13Å; D302-L305 HydrophobicContact CB-CD1 4.04Å; D302-L305 HydrophobicContact CB-CG 4.23Å; D302-L305 PolarHBondContact OD1-N 3.01Å; D302-L306 WeakPolarHBondContact O-CB 3.49Å; D302-L306 PolarHBondContact O-N 3.3Å
303	H	93.1	Very high	94.7	Very high	70 Å²	70	40 Å²	40	32%	0.324	20%	0.2	S	C	.	.	H	α-helix	trans	-73.7	-26	-177.3	75.5	-70.2	0	0	0	114.1	Q307 Q329 V330 I333	H303-Q307 WeakPolarHBondContact O-CG 3.49Å; H303-Q307 PolarHBondContact O-N 3.47Å; H303-Q329 HydrophobicContact CB-CB 3.99Å; H303-V330 HydrophobicContact CB-CG2 4.04Å; H303-I333 HydrophobicContact CB-CD1 3.7Å
304	E	93.5	Very high	94.7	Very high	121 Å²	121	39.7 Å²	39.7	57%	0.565	20%	0.2	S	C	*	.	H	α-helix	trans	-78.4	-45.1	179	-67.2	164.9	-170.1	0	0	110.3	D302 Q307 Q308	D302-E304 WeakPolarHBondContact OD1-CA 3.48Å; D302-E304 WeakPolarHBondContact OD1-CB 3.42Å; D302-E304 PolarHBondContact OD1-N 3.05Å; E304-Q307 PolarHBondContact O-N 2.87Å; E304-Q308 WeakPolarHBondContact O-CG 3.33Å; E304-Q308 PolarHBondContact O-N 2.95Å
305	L	92.4	Very high	94.7	Very high	24 Å²	24	39.3 Å²	39.3	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-41.8	173.8	-68.9	178	0	0	0	111.1	V243 T245 D302 Q307 Q308 V309	V243-L305 HydrophobicContact CG1-CB 3.39Å; V243-L305 HydrophobicContact CG1-CD1 4.18Å; V243-L305 HydrophobicContact CG1-CG 4.43Å; T245-L305 HydrophobicContact CG2-CD1 4.32Å; D302-L305 HydrophobicContact CB-CB 4.13Å; D302-L305 HydrophobicContact CB-CD1 4.04Å; D302-L305 HydrophobicContact CB-CG 4.23Å; D302-L305 PolarHBondContact OD1-N 3.01Å; L305-Q307 VanDerWaalsContact C-N 3.28Å; L305-Q307 PolarHBondContact O-N 2.94Å; L305-Q308 WeakPolarHBondContact O-CA 3.36Å; L305-Q308 WeakPolarHBondContact O-CB 3.38Å; L305-Q308 PolarHBondContact O-N 3.35Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.27Å
306	L	95.1	Very high	94.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-54.6	-45.6	174	172.7	60.6	0	0	0	111.6	I298 A300 D302 Q308 V309 M310 I323 V330 I333	I298-L306 HydrophobicContact CB-CD1 4.34Å; I298-L306 HydrophobicContact CD1-CD1 4.04Å; I298-L306 HydrophobicContact CG2-CD1 3.89Å; A300-L306 HydrophobicContact CB-CB 4.16Å; A300-L306 HydrophobicContact CB-CD1 4.32Å; A300-L306 HydrophobicContact CB-CD2 4.33Å; D302-L306 WeakPolarHBondContact O-CB 3.49Å; D302-L306 PolarHBondContact O-N 3.3Å; L306-Q308 VanDerWaalsContact C-N 3.27Å; L306-Q308 PolarHBondContact O-N 3.4Å; L306-V309 PolarHBondContact O-N 2.9Å; L306-M310 HydrophobicContact CD1-CG 3.88Å; L306-M310 HydrophobicContact CD1-SD 4.02Å; L306-M310 HydrophobicContact CD2-SD 4.49Å; L306-M310 HydrophobicContact CG-CG 4.29Å; L306-M310 HydrophobicContact CG-SD 3.94Å; L306-M310 WeakPolarHBondContact O-CB 3.47Å; L306-M310 VanDerWaalsContact O-CG 3.26Å; L306-M310 WeakPolarHBondContact O-CG 3.27Å; L306-M310 PolarHBondContact O-N 2.97Å; L306-I323 HydrophobicContact CD1-CD1 3.79Å; L306-I323 HydrophobicContact CD2-CG2 4.35Å; L306-V330 HydrophobicContact CD2-CB 4.35Å; L306-V330 HydrophobicContact CD2-CG1 3.59Å; L306-V330 HydrophobicContact CD2-CG2 4.23Å; L306-I333 HydrophobicContact CD2-CB 4.49Å; L306-I333 HydrophobicContact CD2-CD1 4.42Å; L306-I333 HydrophobicContact CD2-CG2 4.2Å
307	Q	94	Very high	94.2	Very high	70 Å²	70	48.6 Å²	48.6	33%	0.327	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-32.7	177.6	-74	-165.8	39.3	0	0	113	H303 E304 L305 K311 I333	H303-Q307 WeakPolarHBondContact O-CG 3.49Å; H303-Q307 PolarHBondContact O-N 3.47Å; E304-Q307 PolarHBondContact O-N 2.87Å; L305-Q307 VanDerWaalsContact C-N 3.28Å; L305-Q307 PolarHBondContact O-N 2.94Å; Q307-K311 VanDerWaalsContact O-CG 3.3Å; Q307-K311 WeakPolarHBondContact O-CG 3.47Å; Q307-K311 PolarHBondContact O-N 3.25Å; Q307-I333 HydrophobicContact CG-CD1 3.98Å
308	Q	93.1	Very high	94.1	Very high	93 Å²	93	49 Å²	49	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-43.9	174.5	-63.4	173.8	41.6	0	0	110.8	F265 E304 L305 L306 M310 K311 H312	F265-Q308 HydrophobicContact CE1-CB 3.87Å; F265-Q308 HydrophobicContact CZ-CB 3.62Å; E304-Q308 WeakPolarHBondContact O-CG 3.33Å; E304-Q308 PolarHBondContact O-N 2.95Å; L305-Q308 WeakPolarHBondContact O-CA 3.36Å; L305-Q308 WeakPolarHBondContact O-CB 3.38Å; L305-Q308 PolarHBondContact O-N 3.35Å; L306-Q308 VanDerWaalsContact C-N 3.27Å; L306-Q308 PolarHBondContact O-N 3.4Å; Q308-M310 PolarHBondContact O-N 2.81Å; Q308-K311 PolarHBondContact O-N 3.45Å; Q308-H312 PolarHBondContact O-N 3.34Å
309	V	94.1	Very high	94	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-40.2	177.9	175.3	0	0	0	0	111.5	F241 V243 F265 V267 I298 L305 L306 K311 H312 T315	F241-V309 HydrophobicContact CD1-CG1 3.93Å; F241-V309 HydrophobicContact CD1-CG2 4.5Å; F241-V309 HydrophobicContact CE1-CG1 3.94Å; F241-V309 HydrophobicContact CE1-CG2 3.84Å; V243-V309 HydrophobicContact CG1-CG2 4.44Å; V243-V309 HydrophobicContact CG2-CG2 3.83Å; F265-V309 HydrophobicContact CD2-CG2 3.87Å; F265-V309 HydrophobicContact CE1-CG2 4.21Å; F265-V309 HydrophobicContact CE2-CB 4.16Å; F265-V309 HydrophobicContact CE2-CG2 3.52Å; F265-V309 HydrophobicContact CG-CG2 4.38Å; F265-V309 HydrophobicContact CZ-CB 4.43Å; F265-V309 HydrophobicContact CZ-CG2 3.7Å; V267-V309 HydrophobicContact CG2-CG1 3.77Å; I298-V309 HydrophobicContact CD1-CB 4.48Å; I298-V309 HydrophobicContact CD1-CG1 3.56Å; I298-V309 HydrophobicContact CG1-CG1 4.22Å; I298-V309 HydrophobicContact CG2-CG1 4.48Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.27Å; L306-V309 PolarHBondContact O-N 2.9Å; V309-K311 PolarHBondContact O-N 3.24Å; V309-H312 WeakPolarHBondContact O-CB 3.42Å; V309-H312 PolarHBondContact O-N 3.44Å; V309-H312 VanDerWaalsContact O-N 3.09Å; V309-T315 PolarHBondContact O-OG1 3.22Å
310	M	94.4	Very high	94	Very high	27 Å²	27	50.1 Å²	50.1	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-26.7	176.1	-71.8	177.7	70.1	0	0	113.4	L306 Q308 H312 L321 I333 K337 V339 I340	L306-M310 HydrophobicContact CD1-CG 3.88Å; L306-M310 HydrophobicContact CD1-SD 4.02Å; L306-M310 HydrophobicContact CD2-SD 4.49Å; L306-M310 HydrophobicContact CG-CG 4.29Å; L306-M310 HydrophobicContact CG-SD 3.94Å; L306-M310 WeakPolarHBondContact O-CB 3.47Å; L306-M310 VanDerWaalsContact O-CG 3.26Å; L306-M310 WeakPolarHBondContact O-CG 3.27Å; L306-M310 PolarHBondContact O-N 2.97Å; Q308-M310 PolarHBondContact O-N 2.81Å; M310-H312 VanDerWaalsContact C-N 3.33Å; M310-L321 HydrophobicContact CE-CD2 4.32Å; M310-I333 HydrophobicContact SD-CG2 4.07Å; M310-K337 HydrophobicContact CE-CB 3.89Å; M310-K337 HydrophobicContact CE-CG 3.91Å; M310-V339 HydrophobicContact CE-CG2 3.55Å; M310-I340 HydrophobicContact CE-CD1 3.71Å; M310-I340 HydrophobicContact CE-CG1 3.9Å; M310-I340 HydrophobicContact SD-CD1 4.12Å
311	K	92.8	Very high	94.1	Very high	164 Å²	164	50.7 Å²	50.7	71%	0.713	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.7	176.5	-70.3	172.8	-175.3	176.7	0	113	Q307 Q308 V309	Q307-K311 VanDerWaalsContact O-CG 3.3Å; Q307-K311 WeakPolarHBondContact O-CG 3.47Å; Q307-K311 PolarHBondContact O-N 3.25Å; Q308-K311 PolarHBondContact O-N 3.45Å; V309-K311 PolarHBondContact O-N 3.24Å
312	H	94.9	Very high	94.4	Very high	35 Å²	35	48.7 Å²	48.7	16%	0.162	25%	0.247	C	C	.	.	S	Bend	trans	-66.1	137.3	-179.5	-170.1	-84.1	0	0	0	110.3	F265 V267 Q308 V309 M310 N314 T315	F265-H312 HydrophobicContact CE2-CB 4.48Å; V267-H312 HydrophobicContact CB-CB 4.35Å; V267-H312 HydrophobicContact CG2-CB 3.7Å; Q308-H312 PolarHBondContact O-N 3.34Å; V309-H312 WeakPolarHBondContact O-CB 3.42Å; V309-H312 PolarHBondContact O-N 3.44Å; V309-H312 VanDerWaalsContact O-N 3.09Å; M310-H312 VanDerWaalsContact C-N 3.33Å; H312-N314 VanDerWaalsContact C-N 3.29Å; H312-N314 PolarHBondContact CE1-ND2 3.44Å; H312-N314 WeakPolarHBondContact ND1-CB 3.47Å; H312-N314 PolarHBondContact ND1-N 3.4Å; H312-N314 VanDerWaalsContact ND1-N 3.12Å; H312-N314 PolarHBondContact O-N 2.94Å; H312-T315 WeakPolarHBondContact O-CB 3.4Å; H312-T315 PolarHBondContact O-N 3.21Å
313	P	93.8	Very high	94.6	Very high	85 Å²	85	47.1 Å²	47.1	55%	0.552	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-56.4	-41.9	-176.8	19.8	-32.8	0	0	0	112.6	T315 T316	P313-T315 PolarHBondContact O-N 3.39Å; P313-T316 PolarHBondContact O-N 2.77Å; P313-T316 VanDerWaalsContact O-N 3.15Å; P313-T316 PolarHBondContact O-OG1 3.06Å
314	N	95.5	Very high	94.8	Very high	18 Å²	18	44.2 Å²	44.2	10%	0.096	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-64	-23.5	179.4	-62.8	-11.7	0	0	0	113.7	V267 K269 H312 T316 L317 Y318	V267-N314 HydrophobicContact CB-CB 4.3Å; V267-N314 HydrophobicContact CG1-CB 4.46Å; V267-N314 WeakPolarHBondContact O-CB 3.37Å; V267-N314 PolarHBondContact O-ND2 3.26Å; K269-N314 HydrophobicContact CG-CB 4.33Å; K269-N314 WeakPolarHBondContact CG-ND2 3.35Å; H312-N314 VanDerWaalsContact C-N 3.29Å; H312-N314 PolarHBondContact CE1-ND2 3.44Å; H312-N314 WeakPolarHBondContact ND1-CB 3.47Å; H312-N314 PolarHBondContact ND1-N 3.4Å; H312-N314 VanDerWaalsContact ND1-N 3.12Å; H312-N314 PolarHBondContact O-N 2.94Å; N314-T316 VanDerWaalsContact C-N 3.27Å; N314-T316 PolarHBondContact O-N 3.09Å; N314-L317 HydrophobicContact CB-CD1 4.29Å; N314-L317 WeakPolarHBondContact O-CB 3.42Å; N314-L317 PolarHBondContact O-N 3.44Å; N314-Y318 VanDerWaalsContact O-CD2 3.31Å; N314-Y318 WeakPolarHBondContact O-CD2 3.19Å
315	T	94.5	Very high	94.9	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.067	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.9	-33.1	177.6	-60.6	0	0	0	0	111.3	L296 V309 H312 P313 L317 Y318 L321	L296-T315 HydrophobicContact CD2-CG2 3.94Å; V309-T315 PolarHBondContact O-OG1 3.22Å; H312-T315 WeakPolarHBondContact O-CB 3.4Å; H312-T315 PolarHBondContact O-N 3.21Å; P313-T315 PolarHBondContact O-N 3.39Å; T315-L317 PolarHBondContact O-N 3.27Å; T315-Y318 PolarHBondContact O-N 2.89Å; T315-L321 HydrophobicContact CG2-CD1 4.1Å; T315-L321 HydrophobicContact CG2-CD2 4.43Å
316	T	90.6	Very high	95	Very high	108 Å²	108	39.4 Å²	39.4	66%	0.663	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-73	-13.2	177.6	65	0	0	0	0	114	P313 N314 Y318	P313-T316 PolarHBondContact O-N 2.77Å; P313-T316 VanDerWaalsContact O-N 3.15Å; P313-T316 PolarHBondContact O-OG1 3.06Å; N314-T316 VanDerWaalsContact C-N 3.27Å; N314-T316 PolarHBondContact O-N 3.09Å; T316-Y318 VanDerWaalsContact C-N 3.31Å
317	L	93.7	Very high	94.9	Very high	86 Å²	86	40.3 Å²	40.3	45%	0.45	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-77	-19	177.8	-57.7	177.8	0	0	0	112.7	K269 P270 N314 T315	K269-L317 HydrophobicContact CD-CD1 4.43Å; K269-L317 HydrophobicContact CG-CD1 4.1Å; P270-L317 HydrophobicContact CG-CB 3.74Å; N314-L317 HydrophobicContact CB-CD1 4.29Å; N314-L317 WeakPolarHBondContact O-CB 3.42Å; N314-L317 PolarHBondContact O-N 3.44Å; T315-L317 PolarHBondContact O-N 3.27Å
318	Y	95.4	Very high	94.9	Very high	10 Å²	10	41.5 Å²	41.5	4%	0.039	22%	0.216	C	C	.	.			trans	-78.4	153.3	-179.5	-70.7	-91.9	0	0	0	112	P268 K269 P270 S294 L296 N314 T315 T316 K454	P268-Y318 VanDerWaalsContact O-CE2 3.31Å; P268-Y318 WeakPolarHBondContact O-CE2 3.44Å; P268-Y318 PolarHBondContact O-OH 3.18Å; K269-Y318 PolarHBondContact O-OH 3.15Å; P270-Y318 HydrophobicContact CB-CD1 4.38Å; P270-Y318 HydrophobicContact CB-CE1 4.18Å; P270-Y318 HydrophobicContact CG-CD1 3.86Å; P270-Y318 HydrophobicContact CG-CD2 3.96Å; P270-Y318 HydrophobicContact CG-CE1 3.86Å; P270-Y318 HydrophobicContact CG-CE2 3.95Å; P270-Y318 HydrophobicContact CG-CG 3.92Å; S294-Y318 WeakPolarHBondContact OG-CA 3.39Å; L296-Y318 HydrophobicContact CB-CD1 3.76Å; L296-Y318 HydrophobicContact CB-CD2 3.75Å; L296-Y318 HydrophobicContact CB-CE1 3.99Å; L296-Y318 HydrophobicContact CB-CE2 3.99Å; L296-Y318 HydrophobicContact CB-CG 3.63Å; L296-Y318 HydrophobicContact CD1-CE2 4.13Å; L296-Y318 HydrophobicContact CD2-CD2 4.12Å; L296-Y318 HydrophobicContact CD2-CE2 4.14Å; L296-Y318 HydrophobicContact CG-CD2 4.4Å; L296-Y318 HydrophobicContact CG-CE2 4.32Å; N314-Y318 VanDerWaalsContact O-CD2 3.31Å; N314-Y318 WeakPolarHBondContact O-CD2 3.19Å; T315-Y318 PolarHBondContact O-N 2.89Å; T316-Y318 VanDerWaalsContact C-N 3.31Å; Y318-K454 PolarHBondContact O-NZ 3.2Å; Y318-K454 VanDerWaalsContact O-NZ 3.13Å
319	D	94.7	Very high	95	Very high	53 Å²	53	42.4 Å²	42.4	28%	0.283	22%	0.22	S	C	.	.	S	Bend	trans	-81.8	-37.4	175.1	-58.1	-55.5	0	0	0	112.9	Y293 S294 K454	Y293-D319 HydrophobicContact CD1-CB 3.93Å; S294-D319 PolarHBondContact N-OD2 3.11Å; S294-D319 WeakPolarHBondContact O-CA 3.28Å; S294-D319 WeakPolarHBondContact O-CB 3.5Å; S294-D319 PolarHBondContact O-N 3.02Å; S294-D319 PolarHBondContact OG-N 3.28Å; S294-D319 PolarHBondContact OG-OD2 3.33Å; D319-K454 IonicContact OD1-NZ 2.9Å; D319-K454 PolarHBondContact OD1-NZ 3.1Å
320	L	96.9	Very high	95.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.8	179.9	-63.5	175.6	0	0	0	111	L206 A236 S294 R295 L296 D341 L447 A450	L206-L320 HydrophobicContact CD1-CD1 4.46Å; A236-L320 HydrophobicContact CB-CD1 4.11Å; S294-L320 PolarHBondContact O-N 3.25Å; R295-L320 WeakPolarHBondContact CA-O 3.42Å; R295-L320 HydrophobicContact CB-CB 4.13Å; R295-L320 HydrophobicContact CG-CB 4.19Å; L296-L320 PolarHBondContact N-O 2.98Å; L320-D341 HydrophobicContact CD2-CB 4.37Å; L320-L447 HydrophobicContact CD1-CD2 3.9Å; L320-L447 HydrophobicContact CD2-CD2 4.2Å; L320-L447 HydrophobicContact CG-CD2 4.37Å; L320-A450 HydrophobicContact CD2-CB 3.59Å
321	L	97.4	Very high	95.2	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.068	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.3	171.5	-176.3	63.2	0	0	0	110.5	L296 I298 M310 T315 I323 V339 I340 D341 I342	L296-L321 HydrophobicContact CB-CD1 4.27Å; L296-L321 HydrophobicContact CD2-CD1 4.07Å; L296-L321 HydrophobicContact CG-CD1 4.34Å; I298-L321 HydrophobicContact CD1-CD1 3.92Å; I298-L321 HydrophobicContact CG1-CD1 4.35Å; M310-L321 HydrophobicContact CE-CD2 4.32Å; T315-L321 HydrophobicContact CG2-CD1 4.1Å; T315-L321 HydrophobicContact CG2-CD2 4.43Å; L321-I323 HydrophobicContact CD1-CD1 4.3Å; L321-I323 HydrophobicContact CG-CD1 4.33Å; L321-V339 HydrophobicContact CD2-CG2 4.16Å; L321-I340 HydrophobicContact CD2-CG1 3.8Å; L321-I340 HydrophobicContact CG-CG1 4.3Å; L321-D341 PolarHBondContact N-OD2 3.27Å; L321-D341 PolarHBondContact O-N 3.41Å; L321-I342 PolarHBondContact O-N 2.94Å
322	A	98.4	Very high	95.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.3	173.9	0	0	0	0	0	110.5	L296 T297 I298 I342	L296-A322 PolarHBondContact O-N 3.39Å; T297-A322 CarbonylContact C-O 3.14Å; T297-A322 VanDerWaalsContact CA-O 3.27Å; T297-A322 WeakPolarHBondContact CA-O 3.23Å; T297-A322 HydrophobicContact CG2-CB 4.18Å; I298-A322 PolarHBondContact N-O 2.93Å; A322-I342 CarbonylContact C-O 3.56Å; A322-I342 VanDerWaalsContact CA-O 3.28Å; A322-I342 WeakPolarHBondContact CA-O 3.42Å; A322-I342 HydrophobicContact CB-CB 3.75Å; A322-I342 HydrophobicContact CB-CD1 4.46Å; A322-I342 HydrophobicContact CB-CG2 4.14Å
323	I	98.1	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.9	172.6	-52.3	-62.1	0	0	0	109.2	I298 L306 L321 P325 V330 C334 I340 I342 I343 S344	I298-I323 HydrophobicContact CB-CD1 3.7Å; I298-I323 HydrophobicContact CD1-CD1 3.81Å; I298-I323 HydrophobicContact CG1-CD1 4.08Å; I298-I323 CarbonylContact O-C 3.58Å; I298-I323 WeakPolarHBondContact O-CA 3.35Å; L306-I323 HydrophobicContact CD1-CD1 3.79Å; L306-I323 HydrophobicContact CD2-CG2 4.35Å; L321-I323 HydrophobicContact CD1-CD1 4.3Å; L321-I323 HydrophobicContact CG-CD1 4.33Å; I323-P325 VanDerWaalsContact O-CD 3.32Å; I323-P325 WeakPolarHBondContact O-CD 3.42Å; I323-V330 HydrophobicContact CG2-CG1 3.89Å; I323-C334 VanDerWaalsContact CB-SG 3.55Å; I323-C334 VanDerWaalsContact CG2-SG 3.52Å; I323-I340 HydrophobicContact CD1-CD1 4.34Å; I323-I340 HydrophobicContact CD1-CG1 4.49Å; I323-I340 HydrophobicContact CG1-CD1 3.63Å; I323-I340 HydrophobicContact CG1-CG1 3.91Å; I323-I340 HydrophobicContact CG1-CG2 3.91Å; I323-I342 PolarHBondContact N-O 2.72Å; I323-I343 CarbonylContact O-C 3.55Å; I323-I343 WeakPolarHBondContact O-CA 3.32Å; I323-S344 PolarHBondContact O-N 3.41Å
324	C	97.2	Very high	95.6	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.054	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	101.8	164.7	-175.5	0	0	0	0	108.7	I298 I299 A300 S344	I298-C324 PolarHBondContact O-N 2.82Å; I299-C324 HydrophobicContact CB-CB 4.31Å; I299-C324 HydrophobicContact CG1-CB 3.95Å; I299-C324 HydrophobicContact CG2-CB 4.3Å; A300-C324 PolarHBondContact N-O 3.07Å; A300-C324 VanDerWaalsContact N-O 3.08Å; C324-S344 WeakPolarHBondContact CA-O 3.47Å
325	P	96.4	Very high	95.6	Very high	2 Å²	2	31 Å²	31	1%	0.013	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.1	-175	32.9	-34.6	0	0	0	111.2	I323 V330 F331 I343 S344 W353	I323-P325 VanDerWaalsContact O-CD 3.32Å; I323-P325 WeakPolarHBondContact O-CD 3.42Å; P325-V330 HydrophobicContact CB-CB 4.34Å; P325-V330 HydrophobicContact CB-CG1 3.78Å; P325-F331 HydrophobicContact CB-CB 4.03Å; P325-F331 HydrophobicContact CG-CB 4.44Å; P325-F331 HydrophobicContact CG-CD2 4.13Å; P325-I343 HydrophobicContact CG-CG2 3.96Å; P325-S344 WeakPolarHBondContact CD-O 3.32Å; P325-W353 HydrophobicContact CB-CH2 4.08Å; P325-W353 HydrophobicContact CG-CH2 4.15Å
326	L	94.6	Very high	95.6	Very high	42 Å²	42	36.8 Å²	36.8	22%	0.22	19%	0.19	C	C	.	.	S	Bend	trans	-98.9	0.6	174.5	-54.9	-178.1	0	0	0	113	I299 A300	I299-L326 HydrophobicContact CG2-CD1 3.78Å; I299-L326 HydrophobicContact CG2-CD2 4.42Å; I299-L326 HydrophobicContact CG2-CG 4.14Å; A300-L326 WeakPolarHBondContact O-CB 3.44Å; A300-L326 PolarHBondContact O-N 2.97Å
327	S	93.5	Very high	95.8	Very high	19 Å²	19	35.7 Å²	35.7	13%	0.133	18%	0.176	C	C	.	.	S	Bend	trans	-144.5	156	175.4	68.4	0	0	0	0	111.9	S301 Q329 V330 F331	S301-S327 PolarHBondContact O-OG 3.2Å; S327-Q329 VanDerWaalsContact C-N 3.25Å; S327-Q329 PolarHBondContact O-N 3.18Å; S327-V330 PolarHBondContact O-N 2.88Å; S327-V330 VanDerWaalsContact OG-CG2 3.32Å; S327-V330 WeakPolarHBondContact OG-CG2 3.45Å; S327-V330 PolarHBondContact OG-N 2.99Å; S327-F331 PolarHBondContact O-N 3.42Å
328	E	93.8	Very high	95.6	Very high	96 Å²	96	36.6 Å²	36.6	45%	0.449	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-33.2	177.3	-69.7	-166.3	-176	0	0	111.9	F331 N332 W353	E328-F331 PolarHBondContact O-N 3.08Å; E328-N332 PolarHBondContact O-N 3.44Å; E328-N332 PolarHBondContact O-ND2 2.83Å; E328-N332 VanDerWaalsContact O-ND2 3.11Å; E328-W353 HydrophobicContact CG-CB 4.32Å; E328-W353 HydrophobicContact CG-CD2 3.65Å; E328-W353 HydrophobicContact CG-CE3 3.64Å; E328-W353 HydrophobicContact CG-CG 3.96Å; E328-W353 HydrophobicContact CG-CZ3 4.28Å; E328-W353 WeakPolarHBondContact OE1-CB 3.39Å
329	Q	95	Very high	95.4	Very high	111 Å²	111	40.2 Å²	40.2	52%	0.519	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-45.4	176.6	-64.8	85.8	-15.8	0	0	111.3	H303 S327 F331 N332 I333	H303-Q329 HydrophobicContact CB-CB 3.99Å; S327-Q329 VanDerWaalsContact C-N 3.25Å; S327-Q329 PolarHBondContact O-N 3.18Å; Q329-F331 VanDerWaalsContact C-N 3.34Å; Q329-N332 PolarHBondContact O-N 2.87Å; Q329-I333 PolarHBondContact O-N 3.27Å
330	V	96.4	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-42.3	175.3	168	0	0	0	0	110.7	A300 H303 L306 I323 P325 S327 N332 I333 C334	A300-V330 HydrophobicContact CB-CG1 4.16Å; A300-V330 HydrophobicContact CB-CG2 4.25Å; H303-V330 HydrophobicContact CB-CG2 4.04Å; L306-V330 HydrophobicContact CD2-CB 4.35Å; L306-V330 HydrophobicContact CD2-CG1 3.59Å; L306-V330 HydrophobicContact CD2-CG2 4.23Å; I323-V330 HydrophobicContact CG2-CG1 3.89Å; P325-V330 HydrophobicContact CB-CB 4.34Å; P325-V330 HydrophobicContact CB-CG1 3.78Å; S327-V330 PolarHBondContact O-N 2.88Å; S327-V330 VanDerWaalsContact OG-CG2 3.32Å; S327-V330 WeakPolarHBondContact OG-CG2 3.45Å; S327-V330 PolarHBondContact OG-N 2.99Å; V330-N332 VanDerWaalsContact C-N 3.32Å; V330-N332 PolarHBondContact O-N 3.2Å; V330-I333 WeakPolarHBondContact O-CB 3.39Å; V330-I333 PolarHBondContact O-N 2.86Å; V330-I333 VanDerWaalsContact O-N 3.14Å; V330-C334 PolarHBondContact O-N 3.31Å; V330-C334 PolarHBondContact O-SG 3.07Å
331	F	96.4	Very high	95.3	Very high	6 Å²	6	38 Å²	38	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-38.7	176.9	178.9	-99.3	0	0	0	113.5	P325 S327 E328 Q329 I333 C334 I335 I343 W353 L354 T359 L360 A363	P325-F331 HydrophobicContact CB-CB 4.03Å; P325-F331 HydrophobicContact CG-CB 4.44Å; P325-F331 HydrophobicContact CG-CD2 4.13Å; S327-F331 PolarHBondContact O-N 3.42Å; E328-F331 PolarHBondContact O-N 3.08Å; Q329-F331 VanDerWaalsContact C-N 3.34Å; F331-I333 VanDerWaalsContact C-N 3.31Å; F331-I333 PolarHBondContact O-N 3.44Å; F331-C334 VanDerWaalsContact O-CB 3.29Å; F331-C334 WeakPolarHBondContact O-CB 3.2Å; F331-C334 PolarHBondContact O-N 3.21Å; F331-C334 VanDerWaalsContact O-N 3.11Å; F331-I335 HydrophobicContact CD1-CD1 3.73Å; F331-I335 HydrophobicContact CD1-CG1 4.5Å; F331-I335 HydrophobicContact CE1-CD1 3.15Å; F331-I335 HydrophobicContact CE1-CG1 4.03Å; F331-I335 HydrophobicContact CZ-CD1 3.66Å; F331-I335 HydrophobicContact CZ-CG1 4.15Å; F331-I335 PolarHBondContact O-N 3.49Å; F331-I343 HydrophobicContact CD2-CD1 4.09Å; F331-I343 HydrophobicContact CE2-CD1 3.58Å; F331-I343 HydrophobicContact CZ-CD1 4.44Å; F331-W353 HydrophobicContact CB-CH2 3.58Å; F331-W353 HydrophobicContact CB-CZ3 3.55Å; F331-W353 HydrophobicContact CD1-CZ3 4.14Å; F331-W353 HydrophobicContact CD2-CH2 4.32Å; F331-W353 HydrophobicContact CD2-CZ3 4.05Å; F331-W353 HydrophobicContact CG-CH2 4.07Å; F331-W353 AromaticContact CG-CZ3 3.65Å; F331-W353 HydrophobicContact CG-CZ3 3.65Å; F331-L354 HydrophobicContact CD2-CD1 3.5Å; F331-L354 VanDerWaalsContact CD2-CD1 3.5Å; F331-L354 HydrophobicContact CE2-CD1 3.39Å; F331-L354 HydrophobicContact CG-CD1 4.33Å; F331-L354 HydrophobicContact CZ-CD1 4.17Å; F331-T359 HydrophobicContact CD1-CG2 3.84Å; F331-T359 HydrophobicContact CE1-CG2 3.2Å; F331-T359 HydrophobicContact CE2-CG2 4.24Å; F331-T359 HydrophobicContact CZ-CG2 3.45Å; F331-T359 VanDerWaalsContact CZ-CG2 3.45Å; F331-T359 WeakPolarHBondContact CZ-O 3.47Å; F331-L360 HydrophobicContact CE2-CD2 4.37Å; F331-A363 HydrophobicContact CE2-CB 4.16Å; F331-A363 HydrophobicContact CZ-CB 3.91Å
332	N	96	Very high	95.4	Very high	62 Å²	62	37.3 Å²	37.3	33%	0.332	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-38.9	175.7	-72.8	-41.3	0	0	0	111.6	E328 Q329 V330 C334 I335 E336	E328-N332 PolarHBondContact O-N 3.44Å; E328-N332 PolarHBondContact O-ND2 2.83Å; E328-N332 VanDerWaalsContact O-ND2 3.11Å; Q329-N332 PolarHBondContact O-N 2.87Å; V330-N332 VanDerWaalsContact C-N 3.32Å; V330-N332 PolarHBondContact O-N 3.2Å; N332-C334 VanDerWaalsContact C-N 3.3Å; N332-C334 PolarHBondContact O-N 3.01Å; N332-I335 PolarHBondContact O-N 2.96Å; N332-E336 WeakPolarHBondContact O-CG 3.46Å; N332-E336 PolarHBondContact O-N 2.87Å
333	I	96.8	Very high	95.4	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-42.1	171.6	-64.9	175.5	0	0	0	110.8	H303 L306 Q307 M310 Q329 V330 F331 I335 E336 K337 I340	H303-I333 HydrophobicContact CB-CD1 3.7Å; L306-I333 HydrophobicContact CD2-CB 4.49Å; L306-I333 HydrophobicContact CD2-CD1 4.42Å; L306-I333 HydrophobicContact CD2-CG2 4.2Å; Q307-I333 HydrophobicContact CG-CD1 3.98Å; M310-I333 HydrophobicContact SD-CG2 4.07Å; Q329-I333 PolarHBondContact O-N 3.27Å; V330-I333 WeakPolarHBondContact O-CB 3.39Å; V330-I333 PolarHBondContact O-N 2.86Å; V330-I333 VanDerWaalsContact O-N 3.14Å; F331-I333 VanDerWaalsContact C-N 3.31Å; F331-I333 PolarHBondContact O-N 3.44Å; I333-I335 PolarHBondContact O-N 3.09Å; I333-E336 PolarHBondContact O-N 2.94Å; I333-K337 HydrophobicContact CG2-CG 3.73Å; I333-K337 WeakPolarHBondContact O-CB 3.26Å; I333-K337 WeakPolarHBondContact O-CG 3.22Å; I333-K337 PolarHBondContact O-N 3.22Å; I333-I340 HydrophobicContact CG2-CD1 4.5Å
334	C	96.6	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-39.1	177.4	-59.4	0	0	0	0	113	I323 V330 F331 N332 I340 I343 K368	I323-C334 VanDerWaalsContact CB-SG 3.55Å; I323-C334 VanDerWaalsContact CG2-SG 3.52Å; V330-C334 PolarHBondContact O-N 3.31Å; V330-C334 PolarHBondContact O-SG 3.07Å; F331-C334 VanDerWaalsContact O-CB 3.29Å; F331-C334 WeakPolarHBondContact O-CB 3.2Å; F331-C334 PolarHBondContact O-N 3.21Å; F331-C334 VanDerWaalsContact O-N 3.11Å; N332-C334 VanDerWaalsContact C-N 3.3Å; N332-C334 PolarHBondContact O-N 3.01Å; C334-I340 HydrophobicContact CB-CD1 4.35Å; C334-I340 HydrophobicContact CB-CG2 4.46Å; C334-I343 HydrophobicContact CB-CD1 4.07Å; C334-I343 HydrophobicContact CB-CG1 4.21Å; C334-K368 WeakPolarHBondContact O-CE 3.28Å
335	I	95.4	Very high	95.2	Very high	16 Å²	16	37.4 Å²	37.4	8%	0.082	19%	0.186	C	C	.	.	H	α-helix	trans	-71.9	-46.1	178.2	-64.9	166.3	0	0	0	110.8	F331 N332 I333 K362 A363 A366	F331-I335 HydrophobicContact CD1-CD1 3.73Å; F331-I335 HydrophobicContact CD1-CG1 4.5Å; F331-I335 HydrophobicContact CE1-CD1 3.15Å; F331-I335 HydrophobicContact CE1-CG1 4.03Å; F331-I335 HydrophobicContact CZ-CD1 3.66Å; F331-I335 HydrophobicContact CZ-CG1 4.15Å; F331-I335 PolarHBondContact O-N 3.49Å; N332-I335 PolarHBondContact O-N 2.96Å; I333-I335 PolarHBondContact O-N 3.09Å; I335-K362 HydrophobicContact CD1-CB 4.27Å; I335-K362 HydrophobicContact CD1-CD 3.75Å; I335-K362 HydrophobicContact CD1-CG 3.92Å; I335-K362 HydrophobicContact CG2-CG 4.31Å; I335-A363 HydrophobicContact CG1-CB 4.18Å; I335-A366 HydrophobicContact CG2-CB 3.9Å
336	E	95.3	Very high	95	Very high	131 Å²	131	39.3 Å²	39.3	61%	0.612	20%	0.196	S	C	*	.	H	α-helix	trans	-69	-41.4	-173.7	-72.4	173.4	-168.6	0	0	112.8	N332 I333 Q338	N332-E336 WeakPolarHBondContact O-CG 3.46Å; N332-E336 PolarHBondContact O-N 2.87Å; I333-E336 PolarHBondContact O-N 2.94Å; E336-Q338 PolarHBondContact O-N 3.38Å
337	K	93.3	Very high	94.8	Very high	85 Å²	85	37.5 Å²	37.5	37%	0.37	19%	0.187	S	C	.	.			trans	-84.3	116.4	-172.1	-60.4	-61.1	-177	-170.3	0	111.2	M310 I333 V339 I340 K368	M310-K337 HydrophobicContact CE-CB 3.89Å; M310-K337 HydrophobicContact CE-CG 3.91Å; I333-K337 HydrophobicContact CG2-CG 3.73Å; I333-K337 WeakPolarHBondContact O-CB 3.26Å; I333-K337 WeakPolarHBondContact O-CG 3.22Å; I333-K337 PolarHBondContact O-N 3.22Å; K337-V339 VanDerWaalsContact C-N 3.25Å; K337-V339 HydrophobicContact CB-CG2 4.21Å; K337-V339 PolarHBondContact O-N 2.94Å; K337-I340 HydrophobicContact CB-CD1 4.05Å; K337-I340 HydrophobicContact CB-CG1 4.41Å; K337-I340 PolarHBondContact O-N 3.41Å; K337-K368 PolarHBondContact O-NZ 3.32Å
338	Q	89	Confident	94.4	Very high	105 Å²	105	40.2 Å²	40.2	49%	0.491	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.7	-179	-67.2	-53.4	-37.9	0	0	114	E336 I340 K453	E336-Q338 PolarHBondContact O-N 3.38Å; Q338-I340 PolarHBondContact O-N 3.3Å; Q338-K453 VanDerWaalsContact O-CE 3.29Å; Q338-K453 WeakPolarHBondContact O-CE 3.34Å; Q338-K453 PolarHBondContact O-NZ 3.15Å
339	V	91.3	Very high	94	Very high	87 Å²	87	39.1 Å²	39.1	53%	0.527	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.6	177.7	-60.9	0	0	0	0	113.8	M310 L321 K337	M310-V339 HydrophobicContact CE-CG2 3.55Å; L321-V339 HydrophobicContact CD2-CG2 4.16Å; K337-V339 VanDerWaalsContact C-N 3.25Å; K337-V339 HydrophobicContact CB-CG2 4.21Å; K337-V339 PolarHBondContact O-N 2.94Å
340	I	95.6	Very high	93.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.			trans	-81.4	131	177.4	-63.7	167	0	0	0	108.9	M310 L321 I323 I333 C334 K337 Q338 K368	M310-I340 HydrophobicContact CE-CD1 3.71Å; M310-I340 HydrophobicContact CE-CG1 3.9Å; M310-I340 HydrophobicContact SD-CD1 4.12Å; L321-I340 HydrophobicContact CD2-CG1 3.8Å; L321-I340 HydrophobicContact CG-CG1 4.3Å; I323-I340 HydrophobicContact CD1-CD1 4.34Å; I323-I340 HydrophobicContact CD1-CG1 4.49Å; I323-I340 HydrophobicContact CG1-CD1 3.63Å; I323-I340 HydrophobicContact CG1-CG1 3.91Å; I323-I340 HydrophobicContact CG1-CG2 3.91Å; I333-I340 HydrophobicContact CG2-CD1 4.5Å; C334-I340 HydrophobicContact CB-CD1 4.35Å; C334-I340 HydrophobicContact CB-CG2 4.46Å; K337-I340 HydrophobicContact CB-CD1 4.05Å; K337-I340 HydrophobicContact CB-CG1 4.41Å; K337-I340 PolarHBondContact O-N 3.41Å; Q338-I340 PolarHBondContact O-N 3.3Å; I340-K368 WeakPolarHBondContact O-CD 3.49Å; I340-K368 PolarHBondContact O-NZ 2.95Å
341	D	95.5	Very high	93	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.032	20%	0.203	C	C	.	.			trans	-103.5	-46.1	-176.2	-56.6	-58.2	0	0	0	111.2	L320 L321 K368 M369 L446 K453	L320-D341 HydrophobicContact CD2-CB 4.37Å; L321-D341 PolarHBondContact N-OD2 3.27Å; L321-D341 PolarHBondContact O-N 3.41Å; D341-K368 WeakPolarHBondContact O-CA 3.49Å; D341-M369 PolarHBondContact O-N 3.4Å; D341-L446 HydrophobicContact CB-CD1 3.87Å; D341-K453 IonicContact OD1-NZ 2.85Å; D341-K453 PolarHBondContact OD1-NZ 3.4Å
342	I	98.5	Very high	92.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.1	-170.6	-56.5	167.3	0	0	0	110.2	L321 A322 I323 M369 E371 I404 L446	L321-I342 PolarHBondContact O-N 2.94Å; A322-I342 CarbonylContact C-O 3.56Å; A322-I342 VanDerWaalsContact CA-O 3.28Å; A322-I342 WeakPolarHBondContact CA-O 3.42Å; A322-I342 HydrophobicContact CB-CB 3.75Å; A322-I342 HydrophobicContact CB-CD1 4.46Å; A322-I342 HydrophobicContact CB-CG2 4.14Å; I323-I342 PolarHBondContact N-O 2.72Å; I342-M369 CarbonylContact C-O 3.58Å; I342-M369 WeakPolarHBondContact CA-O 3.5Å; I342-E371 HydrophobicContact CG2-CB 3.76Å; I342-I404 HydrophobicContact CD1-CD1 3.97Å; I342-I404 HydrophobicContact CG1-CD1 4.14Å; I342-I404 HydrophobicContact CG2-CD1 4.12Å; I342-L446 HydrophobicContact CD1-CD2 3.83Å; I342-L446 HydrophobicContact CG1-CD1 4.41Å; I342-L446 HydrophobicContact CG1-CD2 3.63Å
343	I	97.9	Very high	92.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	100.4	162.8	-59.3	-174.2	0	0	0	106.9	I323 P325 F331 C334 A363 K368 M369 V370 E371	I323-I343 CarbonylContact O-C 3.55Å; I323-I343 WeakPolarHBondContact O-CA 3.32Å; P325-I343 HydrophobicContact CG-CG2 3.96Å; F331-I343 HydrophobicContact CD2-CD1 4.09Å; F331-I343 HydrophobicContact CE2-CD1 3.58Å; F331-I343 HydrophobicContact CZ-CD1 4.44Å; C334-I343 HydrophobicContact CB-CD1 4.07Å; C334-I343 HydrophobicContact CB-CG1 4.21Å; I343-A363 HydrophobicContact CD1-CB 3.43Å; I343-A363 VanDerWaalsContact CD1-CB 3.43Å; I343-K368 HydrophobicContact CD1-CB 4.1Å; I343-K368 HydrophobicContact CD1-CG 4.45Å; I343-K368 HydrophobicContact CG1-CB 4.06Å; I343-M369 PolarHBondContact N-O 3.06Å; I343-V370 WeakPolarHBondContact O-CA 2.98Å; I343-E371 PolarHBondContact O-N 2.76Å
344	S	97.2	Very high	92.3	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.035	22%	0.22	C	C	.	.			trans	-73.1	144.2	174.4	-170.9	0	0	0	0	109.8	I323 C324 P325 E371	I323-S344 PolarHBondContact O-N 3.41Å; C324-S344 WeakPolarHBondContact CA-O 3.47Å; P325-S344 WeakPolarHBondContact CD-O 3.32Å; S344-E371 VanDerWaalsContact CB-OE2 3.3Å; S344-E371 WeakPolarHBondContact CB-OE2 3.23Å; S344-E371 PolarHBondContact OG-OE2 2.93Å
345	T	95.4	Very high	92.1	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.025	23%	0.226	C	C	.	.			trans	-117.1	136.1	177.8	66	0	0	0	0	109.8	M347 L354 V370 E371 L394	T345-M347 PolarHBondContact O-N 3.48Å; T345-L354 HydrophobicContact CG2-CD2 4.06Å; T345-V370 HydrophobicContact CG2-CG1 3.97Å; T345-E371 WeakPolarHBondContact CG2-O 3.27Å; T345-E371 PolarHBondContact OG1-O 2.99Å; T345-L394 HydrophobicContact CG2-CD1 4Å; T345-L394 HydrophobicContact CG2-CD2 3.98Å; T345-L394 WeakPolarHBondContact OG1-CD1 3.48Å
346	D	90.8	Very high	91.9	Very high	42 Å²	42	49.6 Å²	49.6	23%	0.225	25%	0.247	C	C	.	.			trans	-77.6	109.6	167.1	-170.9	-19.9	0	0	0	108.7	V348 T349 H390	D346-V348 PolarHBondContact O-N 3.15Å; D346-V348 WeakPolarHBondContact OD1-CA 3.43Å; D346-V348 WeakPolarHBondContact OD1-CB 3.36Å; D346-V348 PolarHBondContact OD1-N 3.13Å; D346-T349 WeakPolarHBondContact CB-OG1 3.48Å; D346-T349 PolarHBondContact OD1-N 2.94Å; D346-T349 PolarHBondContact OD2-OG1 3.13Å; D346-H390 PolarHBondContact O-CE1 2.97Å
347	M	91.2	Very high	91.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.02	24%	0.242	C	C	.	.	S	Bend	trans	-75.1	-12.6	-177.9	-68.3	-63	-63.4	0	0	113.2	T345 I372 S373 P376 S387 H390 L394 F428	T345-M347 PolarHBondContact O-N 3.48Å; M347-I372 HydrophobicContact CE-CG2 3.75Å; M347-I372 HydrophobicContact SD-CG2 3.98Å; M347-S373 WeakPolarHBondContact CG-O 3.22Å; M347-S373 WeakPolarHBondContact CG-OG 3.34Å; M347-P376 HydrophobicContact CB-CB 4.44Å; M347-P376 HydrophobicContact CB-CG 3.94Å; M347-S387 VanDerWaalsContact CE-O 3.25Å; M347-S387 WeakPolarHBondContact CE-O 3.43Å; M347-H390 HydrophobicContact CE-CB 4.44Å; M347-L394 HydrophobicContact SD-CD1 3.7Å; M347-F428 HydrophobicContact CE-CE1 4.42Å
348	V	85.8	Confident	91.8	Very high	77 Å²	77	55 Å²	55	47%	0.467	26%	0.264	S	S	.	.	S	Bend	trans	-97	-54.1	175.8	-175.9	0	0	0	0	109.9	D346 R350 P376	D346-V348 PolarHBondContact O-N 3.15Å; D346-V348 WeakPolarHBondContact OD1-CA 3.43Å; D346-V348 WeakPolarHBondContact OD1-CB 3.36Å; D346-V348 PolarHBondContact OD1-N 3.13Å; V348-R350 PolarHBondContact O-N 3.3Å; V348-P376 HydrophobicContact CG2-CB 4.25Å; V348-P376 HydrophobicContact CG2-CG 4.2Å
349	T	85	Confident	92	Very high	72 Å²	72	51.4 Å²	51.4	44%	0.442	25%	0.25	S	C	.	.	S	Bend	trans	-91.6	99.1	179.8	71.7	0	0	0	0	111.9	D346 Q351	D346-T349 WeakPolarHBondContact CB-OG1 3.48Å; D346-T349 PolarHBondContact OD1-N 2.94Å; D346-T349 PolarHBondContact OD2-OG1 3.13Å; T349-Q351 PolarHBondContact O-N 3.3Å
350	R	84.4	Confident	92.1	Very high	78 Å²	78	47.3 Å²	47.3	29%	0.294	22%	0.224	S	C	.	.			trans	-73.4	129.6	-173.7	-62.3	179.2	177.6	156.2	-4.8	112.7	V348 D386 H390	V348-R350 PolarHBondContact O-N 3.3Å; R350-D386 IonicContact CZ-OD1 3.4Å; R350-D386 IonicContact NH1-OD1 2.9Å; R350-D386 PolarHBondContact NH1-OD1 2.77Å; R350-D386 VanDerWaalsContact NH2-C 3.28Å; R350-D386 VanDerWaalsContact NH2-CB 3.3Å; R350-D386 PolarHBondContact NH2-O 2.76Å; R350-D386 IonicContact NH2-OD1 3.25Å; R350-D386 PolarHBondContact NH2-OD1 3.36Å; R350-H390 HydrophobicContact CG-CB 4.49Å
351	Q	86.4	Confident	92	Very high	50 Å²	50	50.1 Å²	50.1	23%	0.234	24%	0.237	C	C	.	.			trans	-99.5	92.1	169.1	-63.6	-58.1	-33.7	0	0	110.2	T349 W353 L354	T349-Q351 PolarHBondContact O-N 3.3Å; Q351-W353 HydrophobicContact CB-CZ2 4.09Å; Q351-W353 HydrophobicContact CG-CZ2 4.29Å; Q351-W353 PolarHBondContact O-N 2.71Å; Q351-W353 VanDerWaalsContact O-N 3.12Å; Q351-L354 HydrophobicContact CB-CB 4.03Å; Q351-L354 VanDerWaalsContact O-CB 3.27Å; Q351-L354 WeakPolarHBondContact O-CB 3.16Å; Q351-L354 PolarHBondContact O-N 3.48Å
352	N	89.6	Confident	91.9	Very high	111 Å²	111	55.1 Å²	55.1	59%	0.594	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-32	-174.6	-75.4	-37.2	0	0	0	113.8	L354 L355	N352-L354 VanDerWaalsContact C-N 3.26Å; N352-L354 PolarHBondContact O-N 3.37Å; N352-L355 PolarHBondContact O-N 2.95Å
353	W	92.7	Very high	91.7	Very high	35 Å²	35	55.1 Å²	55.1	13%	0.133	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-29.1	177.1	59.8	-96.6	0	0	0	112.6	P325 E328 F331 Q351 L355 T359	P325-W353 HydrophobicContact CB-CH2 4.08Å; P325-W353 HydrophobicContact CG-CH2 4.15Å; E328-W353 HydrophobicContact CG-CB 4.32Å; E328-W353 HydrophobicContact CG-CD2 3.65Å; E328-W353 HydrophobicContact CG-CE3 3.64Å; E328-W353 HydrophobicContact CG-CG 3.96Å; E328-W353 HydrophobicContact CG-CZ3 4.28Å; E328-W353 WeakPolarHBondContact OE1-CB 3.39Å; F331-W353 HydrophobicContact CB-CH2 3.58Å; F331-W353 HydrophobicContact CB-CZ3 3.55Å; F331-W353 HydrophobicContact CD1-CZ3 4.14Å; F331-W353 HydrophobicContact CD2-CH2 4.32Å; F331-W353 HydrophobicContact CD2-CZ3 4.05Å; F331-W353 HydrophobicContact CG-CH2 4.07Å; F331-W353 AromaticContact CG-CZ3 3.65Å; F331-W353 HydrophobicContact CG-CZ3 3.65Å; Q351-W353 HydrophobicContact CB-CZ2 4.09Å; Q351-W353 HydrophobicContact CG-CZ2 4.29Å; Q351-W353 PolarHBondContact O-N 2.71Å; Q351-W353 VanDerWaalsContact O-N 3.12Å; W353-L355 VanDerWaalsContact C-N 3.33Å; W353-T359 HydrophobicContact CE3-CG2 4.45Å; W353-T359 HydrophobicContact CZ3-CG2 4.47Å
354	L	91.4	Very high	91.5	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.7	177.9	-169.7	63.9	0	0	0	111.3	F331 T345 Q351 N352 K356 T359 L360	F331-L354 HydrophobicContact CD2-CD1 3.5Å; F331-L354 VanDerWaalsContact CD2-CD1 3.5Å; F331-L354 HydrophobicContact CE2-CD1 3.39Å; F331-L354 HydrophobicContact CG-CD1 4.33Å; F331-L354 HydrophobicContact CZ-CD1 4.17Å; T345-L354 HydrophobicContact CG2-CD2 4.06Å; Q351-L354 HydrophobicContact CB-CB 4.03Å; Q351-L354 VanDerWaalsContact O-CB 3.27Å; Q351-L354 WeakPolarHBondContact O-CB 3.16Å; Q351-L354 PolarHBondContact O-N 3.48Å; N352-L354 VanDerWaalsContact C-N 3.26Å; N352-L354 PolarHBondContact O-N 3.37Å; L354-K356 PolarHBondContact O-N 2.9Å; L354-K356 VanDerWaalsContact O-N 3.12Å; L354-T359 HydrophobicContact CD1-CG2 4.34Å; L354-L360 HydrophobicContact CD1-CD2 3.62Å; L354-L360 HydrophobicContact CD1-CG 4.34Å; L354-L360 HydrophobicContact CG-CD2 3.89Å; L354-L360 HydrophobicContact CG-CG 4.38Å; L354-L360 WeakPolarHBondContact O-CD1 3.43Å; L354-L360 VanDerWaalsContact O-CG 3.22Å; L354-L360 WeakPolarHBondContact O-CG 3.19Å
355	L	91.5	Very high	91.3	Very high	25 Å²	25	66.2 Å²	66.2	13%	0.131	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.6	-177.9	-57.4	-177.8	0	0	0	114.5	N352 W353 R357 R393 L394 A397	N352-L355 PolarHBondContact O-N 2.95Å; W353-L355 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 3.03Å; L355-R393 HydrophobicContact CD1-CB 4.33Å; L355-R393 VanDerWaalsContact CD1-NH1 3.32Å; L355-R393 HydrophobicContact CD2-CB 4.24Å; L355-L394 HydrophobicContact CD2-CD2 3.59Å; L355-L394 HydrophobicContact CD2-CG 3.87Å; L355-A397 WeakPolarHBondContact O-CB 3.41Å
356	K	92.5	Very high	91.1	Very high	118 Å²	118	67.2 Å²	67.2	51%	0.513	31%	0.311	S	S	.	.			trans	-68.4	122.6	176.7	-64.8	172.6	-175.8	167.4	0	109.4	L354 K358 T359 L360	L354-K356 PolarHBondContact O-N 2.9Å; L354-K356 VanDerWaalsContact O-N 3.12Å; K356-K358 PolarHBondContact O-N 3.44Å; K356-K358 VanDerWaalsContact O-N 3.09Å; K356-T359 WeakPolarHBondContact CB-OG1 3.2Å; K356-T359 WeakPolarHBondContact O-CA 3.41Å; K356-T359 VanDerWaalsContact O-CB 3.23Å; K356-T359 WeakPolarHBondContact O-CB 3.21Å; K356-T359 PolarHBondContact O-N 3.31Å; K356-L360 PolarHBondContact O-N 3.03Å
357	R	92.8	Very high	91	Very high	136 Å²	136	65.7 Å²	65.7	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-49.9	-39	177.7	-176.9	173.4	179.1	83.7	-15	113.9	L355 T359 K361 S396	L355-R357 PolarHBondContact O-N 3.03Å; R357-T359 VanDerWaalsContact C-N 3.28Å; R357-T359 PolarHBondContact O-N 2.89Å; R357-K361 HydrophobicContact CG-CD 4.17Å; R357-K361 HydrophobicContact CG-CG 4.27Å; R357-K361 VanDerWaalsContact CZ-NZ 3.34Å; R357-K361 VanDerWaalsContact O-CB 3.23Å; R357-K361 WeakPolarHBondContact O-CB 3.45Å; R357-K361 WeakPolarHBondContact O-CG 3.29Å; R357-K361 PolarHBondContact O-N 3.3Å; R357-K361 VanDerWaalsContact O-N 3.08Å; R357-S396 PolarHBondContact NH1-O 2.88Å
358	K	92.8	Very high	91.1	Very high	194 Å²	194	65.5 Å²	65.5	84%	0.843	31%	0.305	S	S	*	.	H	α-helix	trans	-62.3	-36.2	177.2	-69.2	-175.6	179.9	179.2	0	112.2	K356 K362	K356-K358 PolarHBondContact O-N 3.44Å; K356-K358 VanDerWaalsContact O-N 3.09Å; K358-K362 PolarHBondContact O-N 2.74Å
359	T	93.5	Very high	91.6	Very high	29 Å²	29	63 Å²	63	18%	0.178	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-59.8	-178.5	-55.8	0	0	0	0	110.6	F331 W353 L354 K356 R357 K361 K362 A363	F331-T359 HydrophobicContact CD1-CG2 3.84Å; F331-T359 HydrophobicContact CE1-CG2 3.2Å; F331-T359 HydrophobicContact CE2-CG2 4.24Å; F331-T359 HydrophobicContact CZ-CG2 3.45Å; F331-T359 VanDerWaalsContact CZ-CG2 3.45Å; F331-T359 WeakPolarHBondContact CZ-O 3.47Å; W353-T359 HydrophobicContact CE3-CG2 4.45Å; W353-T359 HydrophobicContact CZ3-CG2 4.47Å; L354-T359 HydrophobicContact CD1-CG2 4.34Å; K356-T359 WeakPolarHBondContact CB-OG1 3.2Å; K356-T359 WeakPolarHBondContact O-CA 3.41Å; K356-T359 VanDerWaalsContact O-CB 3.23Å; K356-T359 WeakPolarHBondContact O-CB 3.21Å; K356-T359 PolarHBondContact O-N 3.31Å; R357-T359 VanDerWaalsContact C-N 3.28Å; R357-T359 PolarHBondContact O-N 2.89Å; T359-K361 PolarHBondContact O-N 2.79Å; T359-K362 VanDerWaalsContact O-CB 3.31Å; T359-K362 WeakPolarHBondContact O-CB 3.22Å; T359-K362 PolarHBondContact O-N 2.59Å; T359-K362 VanDerWaalsContact O-N 3.11Å; T359-A363 PolarHBondContact O-N 3.49Å
360	L	94.6	Very high	92.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-36.7	-177.9	-71.8	172.1	0	0	0	113.1	F331 L354 K356 K362 A363 V364 V370 L394 A397 A398	F331-L360 HydrophobicContact CE2-CD2 4.37Å; L354-L360 HydrophobicContact CD1-CD2 3.62Å; L354-L360 HydrophobicContact CD1-CG 4.34Å; L354-L360 HydrophobicContact CG-CD2 3.89Å; L354-L360 HydrophobicContact CG-CG 4.38Å; L354-L360 WeakPolarHBondContact O-CD1 3.43Å; L354-L360 VanDerWaalsContact O-CG 3.22Å; L354-L360 WeakPolarHBondContact O-CG 3.19Å; K356-L360 PolarHBondContact O-N 3.03Å; L360-K362 PolarHBondContact O-N 2.91Å; L360-A363 WeakPolarHBondContact O-CB 3.16Å; L360-A363 PolarHBondContact O-N 2.91Å; L360-V364 WeakPolarHBondContact O-CG2 3.45Å; L360-V364 PolarHBondContact O-N 3.06Å; L360-V370 HydrophobicContact CD2-CG1 4.15Å; L360-V370 HydrophobicContact CD2-CG2 3.77Å; L360-L394 HydrophobicContact CD1-CD2 3.85Å; L360-A397 HydrophobicContact CB-CB 4.44Å; L360-A397 HydrophobicContact CD1-CB 3.72Å; L360-A398 HydrophobicContact CB-CB 4.2Å; L360-A398 HydrophobicContact CD1-CB 4.46Å
361	K	93.4	Very high	92.9	Very high	60 Å²	60	55.9 Å²	55.9	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-31.4	173.4	-78.4	-160.4	170.2	-166.6	0	113.2	R357 T359 A363 R365	R357-K361 HydrophobicContact CG-CD 4.17Å; R357-K361 HydrophobicContact CG-CG 4.27Å; R357-K361 VanDerWaalsContact CZ-NZ 3.34Å; R357-K361 VanDerWaalsContact O-CB 3.23Å; R357-K361 WeakPolarHBondContact O-CB 3.45Å; R357-K361 WeakPolarHBondContact O-CG 3.29Å; R357-K361 PolarHBondContact O-N 3.3Å; R357-K361 VanDerWaalsContact O-N 3.08Å; T359-K361 PolarHBondContact O-N 2.79Å; K361-A363 VanDerWaalsContact C-N 3.34Å; K361-R365 WeakPolarHBondContact O-CB 3.45Å; K361-R365 WeakPolarHBondContact O-CD 3.37Å; K361-R365 WeakPolarHBondContact O-CG 3.5Å; K361-R365 PolarHBondContact O-N 2.89Å
362	K	93.4	Very high	93.4	Very high	110 Å²	110	53.5 Å²	53.5	48%	0.478	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-42.4	174.8	-172	-178.4	173.2	-165.7	0	110.5	I335 K358 T359 L360 A366	I335-K362 HydrophobicContact CD1-CB 4.27Å; I335-K362 HydrophobicContact CD1-CD 3.75Å; I335-K362 HydrophobicContact CD1-CG 3.92Å; I335-K362 HydrophobicContact CG2-CG 4.31Å; K358-K362 PolarHBondContact O-N 2.74Å; T359-K362 VanDerWaalsContact O-CB 3.31Å; T359-K362 WeakPolarHBondContact O-CB 3.22Å; T359-K362 PolarHBondContact O-N 2.59Å; T359-K362 VanDerWaalsContact O-N 3.11Å; L360-K362 PolarHBondContact O-N 2.91Å; K362-A366 PolarHBondContact O-N 3.04Å; K362-A366 VanDerWaalsContact O-N 3.09Å
363	A	94.4	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-46.6	175.4	0	0	0	0	0	112.9	F331 I335 I343 T359 L360 K361 R365 A366 G367 K368	F331-A363 HydrophobicContact CE2-CB 4.16Å; F331-A363 HydrophobicContact CZ-CB 3.91Å; I335-A363 HydrophobicContact CG1-CB 4.18Å; I343-A363 HydrophobicContact CD1-CB 3.43Å; I343-A363 VanDerWaalsContact CD1-CB 3.43Å; T359-A363 PolarHBondContact O-N 3.49Å; L360-A363 WeakPolarHBondContact O-CB 3.16Å; L360-A363 PolarHBondContact O-N 2.91Å; K361-A363 VanDerWaalsContact C-N 3.34Å; A363-R365 VanDerWaalsContact C-N 3.31Å; A363-R365 PolarHBondContact O-N 2.75Å; A363-A366 CarbonylContact O-C 3.44Å; A363-A366 WeakPolarHBondContact O-CA 3.27Å; A363-A366 WeakPolarHBondContact O-CB 3.31Å; A363-A366 PolarHBondContact O-N 3.02Å; A363-G367 PolarHBondContact O-N 3.42Å; A363-K368 HydrophobicContact CB-CB 4.31Å; A363-K368 PolarHBondContact O-N 3.04Å
364	V	93.7	Very high	93.8	Very high	33 Å²	33	46.5 Å²	46.5	20%	0.2	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-40.7	178.4	176.1	0	0	0	0	111.2	L360 A366 G367 V370 A398	L360-V364 WeakPolarHBondContact O-CG2 3.45Å; L360-V364 PolarHBondContact O-N 3.06Å; V364-A366 VanDerWaalsContact C-N 3.32Å; V364-A366 PolarHBondContact O-N 3Å; V364-G367 VanDerWaalsContact O-CA 3.27Å; V364-G367 WeakPolarHBondContact O-CA 3.44Å; V364-G367 PolarHBondContact O-N 3.07Å; V364-V370 HydrophobicContact CG2-CG2 4.19Å; V364-A398 HydrophobicContact CG2-CB 4.16Å
365	R	91.4	Very high	94	Very high	205 Å²	205	48.2 Å²	48.2	77%	0.774	22%	0.215	S	C	*	.	H	α-helix	trans	-65.7	-32.2	174.2	-73.1	170.2	-176.6	168.7	-2.4	113.4	K361 A363 G367	K361-R365 WeakPolarHBondContact O-CB 3.45Å; K361-R365 WeakPolarHBondContact O-CD 3.37Å; K361-R365 WeakPolarHBondContact O-CG 3.5Å; K361-R365 PolarHBondContact O-N 2.89Å; A363-R365 VanDerWaalsContact C-N 3.31Å; A363-R365 PolarHBondContact O-N 2.75Å; R365-G367 PolarHBondContact O-N 3.13Å
366	A	90.8	Very high	94	Very high	25 Å²	25	47.5 Å²	47.5	21%	0.207	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-1.5	170	0	0	0	0	0	112.6	I335 K362 A363 V364 K368 R449	I335-A366 HydrophobicContact CG2-CB 3.9Å; K362-A366 PolarHBondContact O-N 3.04Å; K362-A366 VanDerWaalsContact O-N 3.09Å; A363-A366 CarbonylContact O-C 3.44Å; A363-A366 WeakPolarHBondContact O-CA 3.27Å; A363-A366 WeakPolarHBondContact O-CB 3.31Å; A363-A366 PolarHBondContact O-N 3.02Å; V364-A366 VanDerWaalsContact C-N 3.32Å; V364-A366 PolarHBondContact O-N 3Å; A366-K368 HydrophobicContact CB-CG 4.39Å; A366-R449 PolarHBondContact O-NH2 3.33Å
367	G	89.7	Confident	93.9	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	32	178.3	0	0	0	0	0	113.9	A363 V364 R365 R449	A363-G367 PolarHBondContact O-N 3.42Å; V364-G367 VanDerWaalsContact O-CA 3.27Å; V364-G367 WeakPolarHBondContact O-CA 3.44Å; V364-G367 PolarHBondContact O-N 3.07Å; R365-G367 PolarHBondContact O-N 3.13Å; G367-R449 PolarHBondContact O-NE 3.29Å
368	K	94.2	Very high	93.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-90.8	139	167.5	-44.3	-60.2	164.1	179.9	0	108.7	C334 K337 I340 D341 I343 A363 A366	C334-K368 WeakPolarHBondContact O-CE 3.28Å; K337-K368 PolarHBondContact O-NZ 3.32Å; I340-K368 WeakPolarHBondContact O-CD 3.49Å; I340-K368 PolarHBondContact O-NZ 2.95Å; D341-K368 WeakPolarHBondContact O-CA 3.49Å; I343-K368 HydrophobicContact CD1-CB 4.1Å; I343-K368 HydrophobicContact CD1-CG 4.45Å; I343-K368 HydrophobicContact CG1-CB 4.06Å; A363-K368 HydrophobicContact CB-CB 4.31Å; A363-K368 PolarHBondContact O-N 3.04Å; A366-K368 HydrophobicContact CB-CG 4.39Å
369	M	96.2	Very high	93.1	Very high	24 Å²	24	33 Å²	33	12%	0.118	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135	173.6	-63.8	-57.2	163.7	0	0	110	D341 I342 I343 I404 V442 L446	D341-M369 PolarHBondContact O-N 3.4Å; I342-M369 CarbonylContact C-O 3.58Å; I342-M369 WeakPolarHBondContact CA-O 3.5Å; I343-M369 PolarHBondContact N-O 3.06Å; M369-I404 HydrophobicContact CB-CD1 4.45Å; M369-I404 HydrophobicContact CB-CG1 4.47Å; M369-I404 HydrophobicContact CB-CG2 4.17Å; M369-I404 HydrophobicContact CG-CG2 4.38Å; M369-V442 HydrophobicContact CE-CG1 4.07Å; M369-V442 HydrophobicContact CG-CG1 4.31Å; M369-V442 HydrophobicContact SD-CG1 3.54Å; M369-V442 VanDerWaalsContact SD-CG1 3.54Å; M369-L446 HydrophobicContact CB-CD1 4.32Å; M369-L446 HydrophobicContact CB-CD2 4.29Å; M369-L446 HydrophobicContact CG-CB 4.17Å; M369-L446 HydrophobicContact CG-CD1 3.76Å; M369-L446 HydrophobicContact CG-CD2 4.16Å; M369-L446 HydrophobicContact CG-CG 4.26Å
370	V	97.2	Very high	92.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.2	176.1	-178.5	0	0	0	0	107.2	I343 T345 L360 V364 A398 G402 I403 I404	I343-V370 WeakPolarHBondContact O-CA 2.98Å; T345-V370 HydrophobicContact CG2-CG1 3.97Å; L360-V370 HydrophobicContact CD2-CG1 4.15Å; L360-V370 HydrophobicContact CD2-CG2 3.77Å; V364-V370 HydrophobicContact CG2-CG2 4.19Å; V370-A398 HydrophobicContact CB-CB 4.33Å; V370-A398 HydrophobicContact CG2-CB 4.14Å; V370-G402 WeakPolarHBondContact CB-O 3.38Å; V370-G402 PolarHBondContact N-O 3Å; V370-I403 HydrophobicContact CB-CD1 3.77Å; V370-I403 HydrophobicContact CG1-CD1 3.83Å; V370-I403 VanDerWaalsContact O-CA 3.28Å; V370-I403 WeakPolarHBondContact O-CA 3.35Å; V370-I404 PolarHBondContact O-N 2.82Å
371	E	97.8	Very high	92	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.2	-179.7	166.6	-176.1	-99.6	0	0	111	N207 R295 I342 I343 S344 T345 I404 T406	N207-E371 VanDerWaalsContact ND2-CD 3.32Å; N207-E371 PolarHBondContact ND2-OE1 2.9Å; N207-E371 PolarHBondContact ND2-OE2 2.7Å; R295-E371 IonicContact CZ-OE1 3.75Å; R295-E371 IonicContact CZ-OE2 3.04Å; R295-E371 IonicContact NH1-OE1 2.69Å; R295-E371 PolarHBondContact NH1-OE1 3.31Å; R295-E371 IonicContact NH2-OE1 2.72Å; R295-E371 PolarHBondContact NH2-OE1 3.13Å; R295-E371 IonicContact NH2-OE2 3.39Å; R295-E371 PolarHBondContact NH2-OE2 2.96Å; I342-E371 HydrophobicContact CG2-CB 3.76Å; I343-E371 PolarHBondContact O-N 2.76Å; S344-E371 VanDerWaalsContact CB-OE2 3.3Å; S344-E371 WeakPolarHBondContact CB-OE2 3.23Å; S344-E371 PolarHBondContact OG-OE2 2.93Å; T345-E371 WeakPolarHBondContact CG2-O 3.27Å; T345-E371 PolarHBondContact OG1-O 2.99Å; E371-I404 HydrophobicContact CB-CD1 4.17Å; E371-I404 HydrophobicContact CB-CG1 3.88Å; E371-I404 HydrophobicContact CG-CG1 4.44Å; E371-T406 HydrophobicContact CG-CG2 4.28Å; E371-T406 WeakPolarHBondContact CG-OG1 3.43Å; E371-T406 WeakPolarHBondContact OE1-CG2 3.5Å; E371-T406 PolarHBondContact OE1-OG1 3.15Å
372	I	97.3	Very high	91.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.5	163.2	-63.2	176.7	0	0	0	107	M347 G391 L394 F395 I403 I404 L405 T406 F428 M430	M347-I372 HydrophobicContact CE-CG2 3.75Å; M347-I372 HydrophobicContact SD-CG2 3.98Å; I372-G391 WeakPolarHBondContact CD1-O 3.44Å; I372-L394 HydrophobicContact CD1-CB 3.9Å; I372-L394 HydrophobicContact CG1-CB 4.13Å; I372-L394 HydrophobicContact CG1-CD1 4.04Å; I372-F395 HydrophobicContact CD1-CB 4.43Å; I372-I403 HydrophobicContact CD1-CD1 3.88Å; I372-I403 HydrophobicContact CD1-CG2 3.97Å; I372-I403 HydrophobicContact CG1-CD1 4.06Å; I372-I403 HydrophobicContact CG1-CG2 4.25Å; I372-I404 PolarHBondContact N-O 3.2Å; I372-L405 HydrophobicContact CB-CD2 3.98Å; I372-L405 HydrophobicContact CG2-CD2 4.11Å; I372-T406 PolarHBondContact O-N 3.17Å; I372-T406 VanDerWaalsContact O-N 3.13Å; I372-F428 HydrophobicContact CG2-CD2 4Å; I372-F428 HydrophobicContact CG2-CE1 4.39Å; I372-F428 HydrophobicContact CG2-CE2 3.65Å; I372-F428 HydrophobicContact CG2-CZ 3.87Å; I372-M430 HydrophobicContact CD1-CE 4.31Å
373	S	96.1	Very high	91.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.5	173.3	55.1	0	0	0	0	110.8	M347 T406	M347-S373 WeakPolarHBondContact CG-O 3.22Å; M347-S373 WeakPolarHBondContact CG-OG 3.34Å; S373-T406 CarbonylContact C-O 3.5Å; S373-T406 VanDerWaalsContact CA-O 3.22Å; S373-T406 WeakPolarHBondContact CA-O 3.46Å
374	Y	95.9	Very high	91	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.			trans	-86	-13.6	-174.3	60.7	-108.2	0	0	0	114.5	P376 A377 L378 T406 S407 E414 R416 V421 I424	Y374-P376 VanDerWaalsContact C-N 3.35Å; Y374-A377 WeakPolarHBondContact O-CA 3.49Å; Y374-A377 VanDerWaalsContact O-CB 3.3Å; Y374-A377 WeakPolarHBondContact O-CB 3.25Å; Y374-A377 PolarHBondContact O-N 2.86Å; Y374-L378 HydrophobicContact CD2-CD1 3.65Å; Y374-L378 HydrophobicContact CD2-CG 4.22Å; Y374-L378 HydrophobicContact CE2-CD1 3.72Å; Y374-T406 WeakPolarHBondContact CD1-O 3.35Å; Y374-T406 VanDerWaalsContact CE1-C 3.46Å; Y374-T406 WeakPolarHBondContact CE1-O 3.17Å; Y374-T406 PolarHBondContact N-O 3.41Å; Y374-S407 VanDerWaalsContact CZ-CA 3.42Å; Y374-S407 VanDerWaalsContact CZ-CB 3.48Å; Y374-S407 VanDerWaalsContact OH-CB 3.28Å; Y374-S407 WeakPolarHBondContact OH-CB 3.22Å; Y374-E414 WeakPolarHBondContact CE2-O 3.43Å; Y374-R416 HydrophobicContact CE2-CB 4.22Å; Y374-R416 HydrophobicContact CE2-CG 4.11Å; Y374-R416 PolarHBondContact OH-N 3.29Å; Y374-R416 VanDerWaalsContact OH-N 3.15Å; Y374-V421 HydrophobicContact CD1-CG1 3.97Å; Y374-V421 HydrophobicContact CD1-CG2 4.31Å; Y374-V421 HydrophobicContact CE1-CB 4.34Å; Y374-V421 HydrophobicContact CE1-CG1 3.8Å; Y374-V421 HydrophobicContact CE1-CG2 3.52Å; Y374-I424 HydrophobicContact CD2-CD1 4.23Å; Y374-I424 HydrophobicContact CG-CD1 4.42Å
375	K	94.5	Very high	90.8	Very high	42 Å²	42	50.4 Å²	50.4	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-47.7	-45.1	-177.9	159.2	176.3	174.7	166.8	0	114.8	A377 L378 T379 S407 R408 S410 E414	K375-A377 PolarHBondContact O-N 3.12Å; K375-L378 WeakPolarHBondContact O-CB 3.46Å; K375-L378 PolarHBondContact O-N 2.82Å; K375-T379 HydrophobicContact CG-CG2 4.24Å; K375-T379 PolarHBondContact O-N 2.68Å; K375-S407 WeakPolarHBondContact CB-O 3.31Å; K375-S407 PolarHBondContact N-O 3.37Å; K375-R408 VanDerWaalsContact CD-O 3.25Å; K375-R408 WeakPolarHBondContact CD-O 3.44Å; K375-S410 PolarHBondContact NZ-OG 3.26Å; K375-E414 HydrophobicContact CD-CG 4.45Å; K375-E414 VanDerWaalsContact CE-CD 3.5Å; K375-E414 WeakPolarHBondContact CE-OE1 3.09Å; K375-E414 IonicContact NZ-OE1 2.72Å; K375-E414 PolarHBondContact NZ-OE1 2.93Å; K375-E414 IonicContact NZ-OE2 2.62Å; K375-E414 PolarHBondContact NZ-OE2 2.74Å
376	P	91.2	Very high	90.7	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.065	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-21.8	179.3	-27.8	40.4	0	0	0	114.3	M347 V348 Y374 L378	M347-P376 HydrophobicContact CB-CB 4.44Å; M347-P376 HydrophobicContact CB-CG 3.94Å; V348-P376 HydrophobicContact CG2-CB 4.25Å; V348-P376 HydrophobicContact CG2-CG 4.2Å; Y374-P376 VanDerWaalsContact C-N 3.35Å; P376-L378 PolarHBondContact O-N 3.3Å
377	A	90.9	Very high	90.7	Very high	10 Å²	10	43.6 Å²	43.6	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-75	-14.7	173.1	0	0	0	0	0	112.9	Y374 K375 R384 S387 I388	Y374-A377 WeakPolarHBondContact O-CA 3.49Å; Y374-A377 VanDerWaalsContact O-CB 3.3Å; Y374-A377 WeakPolarHBondContact O-CB 3.25Å; Y374-A377 PolarHBondContact O-N 2.86Å; K375-A377 PolarHBondContact O-N 3.12Å; A377-R384 VanDerWaalsContact O-CD 3.3Å; A377-R384 WeakPolarHBondContact O-CD 3.37Å; A377-R384 WeakPolarHBondContact O-CG 3.2Å; A377-S387 WeakPolarHBondContact CA-OG 3.49Å; A377-S387 PolarHBondContact N-OG 3.28Å; A377-I388 HydrophobicContact CB-CG1 4.41Å
378	L	89.3	Confident	90.9	Very high	54 Å²	54	45.1 Å²	45.1	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-98.1	-25.4	-178.8	-58	178.8	0	0	0	113.5	Y374 K375 P376 R416 I424	Y374-L378 HydrophobicContact CD2-CD1 3.65Å; Y374-L378 HydrophobicContact CD2-CG 4.22Å; Y374-L378 HydrophobicContact CE2-CD1 3.72Å; K375-L378 WeakPolarHBondContact O-CB 3.46Å; K375-L378 PolarHBondContact O-N 2.82Å; P376-L378 PolarHBondContact O-N 3.3Å; L378-R416 HydrophobicContact CD1-CG 3.94Å; L378-I424 HydrophobicContact CD2-CD1 4.03Å
379	T	80.1	Confident	90.8	Very high	80 Å²	80	47.1 Å²	47.1	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-88.1	-52.7	-164.6	46.7	0	0	0	0	114.1	K375	K375-T379 HydrophobicContact CG-CG2 4.24Å; K375-T379 PolarHBondContact O-N 2.68Å
380	D	80.7	Confident	90.7	Very high	63 Å²	63	46.1 Å²	46.1	34%	0.337	25%	0.245	S	C	.	.			trans	-129.9	137.7	-170.8	174.8	-96.2	0	0	0	111.1	F382 Q383 R384	D380-F382 VanDerWaalsContact C-N 3.3Å; D380-F382 PolarHBondContact O-N 3.11Å; D380-F382 WeakPolarHBondContact OD1-CA 3.3Å; D380-F382 VanDerWaalsContact OD1-CB 3.24Å; D380-F382 WeakPolarHBondContact OD1-CB 3.5Å; D380-F382 PolarHBondContact OD1-N 3.46Å; D380-Q383 HydrophobicContact CB-CB 4.03Å; D380-Q383 HydrophobicContact CB-CG 4.02Å; D380-Q383 PolarHBondContact O-N 2.91Å; D380-Q383 PolarHBondContact OD1-N 2.9Å; D380-R384 WeakPolarHBondContact O-CB 3.39Å; D380-R384 PolarHBondContact O-N 2.71Å
381	S	84.1	Confident	90.6	Very high	71 Å²	71	46.1 Å²	46.1	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-34	-176.3	-69.3	0	0	0	0	113.2	R384	S381-R384 PolarHBondContact OG-NH2 2.97Å
382	F	84	Confident	90.5	Very high	170 Å²	170	48 Å²	48	75%	0.746	26%	0.258	S	S	*	.	H	α-helix	trans	-75	-47.6	176.8	-58.2	-82.6	0	0	0	110.4	D380 R384 V385	D380-F382 VanDerWaalsContact C-N 3.3Å; D380-F382 PolarHBondContact O-N 3.11Å; D380-F382 WeakPolarHBondContact OD1-CA 3.3Å; D380-F382 VanDerWaalsContact OD1-CB 3.24Å; D380-F382 WeakPolarHBondContact OD1-CB 3.5Å; D380-F382 PolarHBondContact OD1-N 3.46Å; F382-R384 PolarHBondContact O-N 3.48Å; F382-V385 PolarHBondContact O-N 3.06Å
383	Q	85	Confident	90.4	Very high	78 Å²	78	52.7 Å²	52.7	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-27.9	176.6	-64.7	-175.9	-3.7	0	0	112.8	D380 D386 S387	D380-Q383 HydrophobicContact CB-CB 4.03Å; D380-Q383 HydrophobicContact CB-CG 4.02Å; D380-Q383 PolarHBondContact O-N 2.91Å; D380-Q383 PolarHBondContact OD1-N 2.9Å; Q383-D386 PolarHBondContact O-N 3.34Å; Q383-S387 VanDerWaalsContact O-CB 3.23Å; Q383-S387 WeakPolarHBondContact O-CB 3.41Å; Q383-S387 PolarHBondContact O-N 3.44Å; Q383-S387 PolarHBondContact O-OG 2.74Å
384	R	91	Very high	90.4	Very high	113 Å²	113	52.7 Å²	52.7	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-49.4	179.2	172.1	170.9	38.4	177.2	-7.5	112.6	A377 D380 S381 F382 D386 S387 I388	A377-R384 VanDerWaalsContact O-CD 3.3Å; A377-R384 WeakPolarHBondContact O-CD 3.37Å; A377-R384 WeakPolarHBondContact O-CG 3.2Å; D380-R384 WeakPolarHBondContact O-CB 3.39Å; D380-R384 PolarHBondContact O-N 2.71Å; S381-R384 PolarHBondContact OG-NH2 2.97Å; F382-R384 PolarHBondContact O-N 3.48Å; R384-D386 VanDerWaalsContact C-N 3.25Å; R384-D386 PolarHBondContact O-N 3.05Å; R384-S387 WeakPolarHBondContact CA-OG 3.5Å; R384-S387 PolarHBondContact O-N 2.86Å; R384-S387 PolarHBondContact O-OG 2.93Å; R384-S387 VanDerWaalsContact O-OG 3.06Å; R384-I388 HydrophobicContact CG-CD1 3.72Å; R384-I388 WeakPolarHBondContact O-CB 3.3Å; R384-I388 WeakPolarHBondContact O-CD1 3.23Å; R384-I388 WeakPolarHBondContact O-CG1 3.42Å; R384-I388 PolarHBondContact O-N 3Å
385	V	89.4	Confident	90.4	Very high	103 Å²	103	53.6 Å²	53.6	62%	0.624	28%	0.28	S	S	*	.	H	α-helix	trans	-59.7	-43.6	178.1	178.1	0	0	0	0	110	F382 A389	F382-V385 PolarHBondContact O-N 3.06Å; V385-A389 WeakPolarHBondContact O-CB 3.18Å; V385-A389 PolarHBondContact O-N 3.24Å
386	D	89.2	Confident	90.3	Very high	84 Å²	84	55 Å²	55	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-70.1	-41.5	-178.8	-87.4	-37.4	0	0	0	113.6	R350 Q383 R384 A389 H390	R350-D386 IonicContact CZ-OD1 3.4Å; R350-D386 IonicContact NH1-OD1 2.9Å; R350-D386 PolarHBondContact NH1-OD1 2.77Å; R350-D386 VanDerWaalsContact NH2-C 3.28Å; R350-D386 VanDerWaalsContact NH2-CB 3.3Å; R350-D386 PolarHBondContact NH2-O 2.76Å; R350-D386 IonicContact NH2-OD1 3.25Å; R350-D386 PolarHBondContact NH2-OD1 3.36Å; Q383-D386 PolarHBondContact O-N 3.34Å; R384-D386 VanDerWaalsContact C-N 3.25Å; R384-D386 PolarHBondContact O-N 3.05Å; D386-A389 PolarHBondContact O-N 3.41Å; D386-H390 VanDerWaalsContact O-CB 3.23Å; D386-H390 WeakPolarHBondContact O-CB 3.44Å; D386-H390 PolarHBondContact O-N 3.26Å
387	S	91.7	Very high	90.4	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-67.9	-37.4	178	55.3	0	0	0	0	111.5	M347 A377 Q383 R384 H390 G391	M347-S387 VanDerWaalsContact CE-O 3.25Å; M347-S387 WeakPolarHBondContact CE-O 3.43Å; A377-S387 WeakPolarHBondContact CA-OG 3.49Å; A377-S387 PolarHBondContact N-OG 3.28Å; Q383-S387 VanDerWaalsContact O-CB 3.23Å; Q383-S387 WeakPolarHBondContact O-CB 3.41Å; Q383-S387 PolarHBondContact O-N 3.44Å; Q383-S387 PolarHBondContact O-OG 2.74Å; R384-S387 WeakPolarHBondContact CA-OG 3.5Å; R384-S387 PolarHBondContact O-N 2.86Å; R384-S387 PolarHBondContact O-OG 2.93Å; R384-S387 VanDerWaalsContact O-OG 3.06Å; S387-H390 PolarHBondContact O-N 3.29Å; S387-G391 PolarHBondContact O-N 2.83Å
388	I	93	Very high	90.6	Very high	43 Å²	43	54.6 Å²	54.6	22%	0.221	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-51.9	173.3	-69.9	169.8	0	0	0	110.8	A377 R384 H390 G391 S392 L427 F428	A377-I388 HydrophobicContact CB-CG1 4.41Å; R384-I388 HydrophobicContact CG-CD1 3.72Å; R384-I388 WeakPolarHBondContact O-CB 3.3Å; R384-I388 WeakPolarHBondContact O-CD1 3.23Å; R384-I388 WeakPolarHBondContact O-CG1 3.42Å; R384-I388 PolarHBondContact O-N 3Å; I388-H390 PolarHBondContact O-N 3.43Å; I388-G391 PolarHBondContact O-N 2.98Å; I388-S392 WeakPolarHBondContact O-CB 3.38Å; I388-S392 PolarHBondContact O-N 3.23Å; I388-L427 HydrophobicContact CD1-CB 4.43Å; I388-L427 HydrophobicContact CD1-CD1 4.21Å; I388-L427 HydrophobicContact CG1-CB 4.47Å; I388-L427 HydrophobicContact CG2-CB 4.39Å; I388-L427 VanDerWaalsContact CG2-O 3.32Å; I388-L427 WeakPolarHBondContact CG2-O 3.39Å; I388-F428 HydrophobicContact CG1-CE1 4.33Å
389	A	92.3	Very high	90.6	Very high	42 Å²	42	53 Å²	53	35%	0.347	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-30.8	178.3	0	0	0	0	0	112.8	V385 D386 R393	V385-A389 WeakPolarHBondContact O-CB 3.18Å; V385-A389 PolarHBondContact O-N 3.24Å; D386-A389 PolarHBondContact O-N 3.41Å; A389-R393 PolarHBondContact O-N 3.3Å; A389-R393 PolarHBondContact O-NE 2.74Å
390	H	94.1	Very high	90.7	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-73.6	-48.4	175.8	-172.2	-154.8	0	0	0	111.8	D346 M347 R350 D386 S387 I388 S392 R393 L394	D346-H390 PolarHBondContact O-CE1 2.97Å; M347-H390 HydrophobicContact CE-CB 4.44Å; R350-H390 HydrophobicContact CG-CB 4.49Å; D386-H390 VanDerWaalsContact O-CB 3.23Å; D386-H390 WeakPolarHBondContact O-CB 3.44Å; D386-H390 PolarHBondContact O-N 3.26Å; S387-H390 PolarHBondContact O-N 3.29Å; I388-H390 PolarHBondContact O-N 3.43Å; H390-S392 VanDerWaalsContact C-N 3.29Å; H390-S392 PolarHBondContact O-N 3.03Å; H390-R393 PolarHBondContact O-N 2.96Å; H390-R393 VanDerWaalsContact O-N 3.11Å; H390-L394 PolarHBondContact O-N 2.76Å
391	G	95.2	Very high	90.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-41	177.2	0	0	0	0	0	112.1	I372 S387 I388 R393 L394 F395	I372-G391 WeakPolarHBondContact CD1-O 3.44Å; S387-G391 PolarHBondContact O-N 2.83Å; I388-G391 PolarHBondContact O-N 2.98Å; G391-R393 VanDerWaalsContact C-N 3.35Å; G391-R393 PolarHBondContact O-N 2.93Å; G391-L394 WeakPolarHBondContact O-CB 3.5Å; G391-L394 PolarHBondContact O-N 3.26Å; G391-F395 WeakPolarHBondContact O-CB 3.42Å; G391-F395 PolarHBondContact O-N 2.89Å
392	S	95.4	Very high	91.1	Very high	39 Å²	39	50.8 Å²	50.8	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-40.2	174.8	-179.7	0	0	0	0	113.4	I388 H390 S396 F428	I388-S392 WeakPolarHBondContact O-CB 3.38Å; I388-S392 PolarHBondContact O-N 3.23Å; H390-S392 VanDerWaalsContact C-N 3.29Å; H390-S392 PolarHBondContact O-N 3.03Å; S392-S396 VanDerWaalsContact O-CB 3.32Å; S392-S396 WeakPolarHBondContact O-CB 3.37Å; S392-S396 PolarHBondContact O-N 2.77Å; S392-S396 PolarHBondContact O-OG 2.87Å; S392-F428 VanDerWaalsContact CA-O 3.22Å; S392-F428 WeakPolarHBondContact CA-O 3.23Å
393	R	94.9	Very high	91.7	Very high	100 Å²	100	42.8 Å²	42.8	38%	0.377	23%	0.227	S	C	.	.	H	α-helix	trans	-68.3	-40.1	174.5	-76.5	-170.8	-84.9	163	-12.8	112.4	L355 A389 H390 G391 S396 A397	L355-R393 HydrophobicContact CD1-CB 4.33Å; L355-R393 VanDerWaalsContact CD1-NH1 3.32Å; L355-R393 HydrophobicContact CD2-CB 4.24Å; A389-R393 PolarHBondContact O-N 3.3Å; A389-R393 PolarHBondContact O-NE 2.74Å; H390-R393 PolarHBondContact O-N 2.96Å; H390-R393 VanDerWaalsContact O-N 3.11Å; G391-R393 VanDerWaalsContact C-N 3.35Å; G391-R393 PolarHBondContact O-N 2.93Å; R393-S396 PolarHBondContact O-N 2.64Å; R393-A397 VanDerWaalsContact O-CB 3.26Å; R393-A397 WeakPolarHBondContact O-CB 3.27Å; R393-A397 PolarHBondContact O-N 3.47Å
394	L	95.8	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-48.4	175.1	-74.1	169.9	0	0	0	111.3	T345 M347 L355 L360 I372 H390 G391 A397 A398	T345-L394 HydrophobicContact CG2-CD1 4Å; T345-L394 HydrophobicContact CG2-CD2 3.98Å; T345-L394 WeakPolarHBondContact OG1-CD1 3.48Å; M347-L394 HydrophobicContact SD-CD1 3.7Å; L355-L394 HydrophobicContact CD2-CD2 3.59Å; L355-L394 HydrophobicContact CD2-CG 3.87Å; L360-L394 HydrophobicContact CD1-CD2 3.85Å; I372-L394 HydrophobicContact CD1-CB 3.9Å; I372-L394 HydrophobicContact CG1-CB 4.13Å; I372-L394 HydrophobicContact CG1-CD1 4.04Å; H390-L394 PolarHBondContact O-N 2.76Å; G391-L394 WeakPolarHBondContact O-CB 3.5Å; G391-L394 PolarHBondContact O-N 3.26Å; L394-A397 PolarHBondContact O-N 2.93Å; L394-A398 WeakPolarHBondContact O-CB 3.28Å; L394-A398 PolarHBondContact O-N 3.47Å
395	F	95.7	Very high	92.5	Very high	19 Å²	19	33.8 Å²	33.8	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-49.2	176.8	174.7	-111.8	0	0	0	111.7	I372 G391 A397 A398 G399 R400 I403 G429 M430 E434	I372-F395 HydrophobicContact CD1-CB 4.43Å; G391-F395 WeakPolarHBondContact O-CB 3.42Å; G391-F395 PolarHBondContact O-N 2.89Å; F395-A397 PolarHBondContact O-N 3Å; F395-A398 PolarHBondContact O-N 2.95Å; F395-G399 WeakPolarHBondContact O-CA 3.37Å; F395-G399 PolarHBondContact O-N 3.31Å; F395-R400 HydrophobicContact CE2-CB 4.19Å; F395-R400 HydrophobicContact CZ-CB 4.46Å; F395-I403 HydrophobicContact CD2-CG1 4.24Å; F395-G429 VanDerWaalsContact CE1-O 3.22Å; F395-G429 WeakPolarHBondContact CE1-O 3.35Å; F395-M430 HydrophobicContact CB-CE 4.34Å; F395-M430 HydrophobicContact CD1-CG 4.12Å; F395-M430 HydrophobicContact CD2-CE 3.7Å; F395-M430 HydrophobicContact CD2-CG 3.75Å; F395-M430 HydrophobicContact CD2-SD 4.37Å; F395-M430 HydrophobicContact CE1-CB 4.47Å; F395-M430 HydrophobicContact CE1-CG 4.08Å; F395-M430 HydrophobicContact CE2-CB 4.44Å; F395-M430 HydrophobicContact CE2-CE 4.3Å; F395-M430 HydrophobicContact CE2-CG 3.68Å; F395-M430 HydrophobicContact CE2-SD 4.43Å; F395-M430 HydrophobicContact CG-CE 4.18Å; F395-M430 HydrophobicContact CG-CG 3.96Å; F395-M430 HydrophobicContact CZ-CB 4.23Å; F395-M430 HydrophobicContact CZ-CG 3.87Å; F395-E434 HydrophobicContact CZ-CB 4.48Å
396	S	94	Very high	92.9	Very high	72 Å²	72	29 Å²	29	50%	0.503	16%	0.16	S	C	.	.	H	α-helix	trans	-58.5	-33.5	177.5	-62.8	0	0	0	0	113	R357 S392 R393	R357-S396 PolarHBondContact NH1-O 2.88Å; S392-S396 VanDerWaalsContact O-CB 3.32Å; S392-S396 WeakPolarHBondContact O-CB 3.37Å; S392-S396 PolarHBondContact O-N 2.77Å; S392-S396 PolarHBondContact O-OG 2.87Å; R393-S396 PolarHBondContact O-N 2.64Å
397	A	93.7	Very high	93.2	Very high	5 Å²	5	25 Å²	25	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-81.8	-45.9	-179.1	0	0	0	0	0	113.3	L355 L360 R393 L394 F395	L355-A397 WeakPolarHBondContact O-CB 3.41Å; L360-A397 HydrophobicContact CB-CB 4.44Å; L360-A397 HydrophobicContact CD1-CB 3.72Å; R393-A397 VanDerWaalsContact O-CB 3.26Å; R393-A397 WeakPolarHBondContact O-CB 3.27Å; R393-A397 PolarHBondContact O-N 3.47Å; L394-A397 PolarHBondContact O-N 2.93Å; F395-A397 PolarHBondContact O-N 3Å
398	A	93.5	Very high	93.5	Very high	5 Å²	5	27.6 Å²	27.6	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-75.8	-40.9	-179.6	0	0	0	0	0	112.5	L360 V364 V370 L394 F395 I403	L360-A398 HydrophobicContact CB-CB 4.2Å; L360-A398 HydrophobicContact CD1-CB 4.46Å; V364-A398 HydrophobicContact CG2-CB 4.16Å; V370-A398 HydrophobicContact CB-CB 4.33Å; V370-A398 HydrophobicContact CG2-CB 4.14Å; L394-A398 WeakPolarHBondContact O-CB 3.28Å; L394-A398 PolarHBondContact O-N 3.47Å; F395-A398 PolarHBondContact O-N 2.95Å; A398-I403 HydrophobicContact CB-CD1 3.73Å; A398-I403 HydrophobicContact CB-CG1 3.86Å
399	G	89	Confident	93.6	Very high	21 Å²	21	25.6 Å²	25.6	22%	0.216	14%	0.138	C	C	.	.			trans	84.3	165.5	-171.9	0	0	0	0	0	113.4	F395 D401 G402	F395-G399 WeakPolarHBondContact O-CA 3.37Å; F395-G399 PolarHBondContact O-N 3.31Å; G399-D401 PolarHBondContact O-N 3.2Å; G399-G402 PolarHBondContact O-N 3.4Å
400	R	83.5	Confident	93.6	Very high	90 Å²	90	23.6 Å²	23.6	34%	0.34	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-55.9	-37.7	-169.6	63.3	178.9	-174.4	66.8	14.6	117.2	F395 G402 E434	F395-R400 HydrophobicContact CE2-CB 4.19Å; F395-R400 HydrophobicContact CZ-CB 4.46Å; R400-G402 PolarHBondContact O-N 3.41Å; R400-E434 HydrophobicContact CB-CB 4.48Å; R400-E434 HydrophobicContact CB-CG 3.82Å; R400-E434 WeakPolarHBondContact CB-OE1 3.27Å; R400-E434 WeakPolarHBondContact CD-OE1 3.41Å
401	D	83.2	Confident	93.6	Very high	77 Å²	77	29.9 Å²	29.9	41%	0.412	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-83.9	-0.1	-178.4	-61.7	-51.4	0	0	0	113.1	G399	G399-D401 PolarHBondContact O-N 3.2Å
402	G	89.8	Confident	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-111.8	3.5	-172.5	0	0	0	0	0	114.9	V370 G399 R400	V370-G402 WeakPolarHBondContact CB-O 3.38Å; V370-G402 PolarHBondContact N-O 3Å; G399-G402 PolarHBondContact O-N 3.4Å; R400-G402 PolarHBondContact O-N 3.41Å
403	I	95.8	Very high	93.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.8	-172.8	-66.2	-77.3	0	0	0	111	V370 I372 F395 A398 M430	V370-I403 HydrophobicContact CB-CD1 3.77Å; V370-I403 HydrophobicContact CG1-CD1 3.83Å; V370-I403 VanDerWaalsContact O-CA 3.28Å; V370-I403 WeakPolarHBondContact O-CA 3.35Å; I372-I403 HydrophobicContact CD1-CD1 3.88Å; I372-I403 HydrophobicContact CD1-CG2 3.97Å; I372-I403 HydrophobicContact CG1-CD1 4.06Å; I372-I403 HydrophobicContact CG1-CG2 4.25Å; F395-I403 HydrophobicContact CD2-CG1 4.24Å; A398-I403 HydrophobicContact CB-CD1 3.73Å; A398-I403 HydrophobicContact CB-CG1 3.86Å; I403-M430 HydrophobicContact CB-CE 4.39Å; I403-M430 HydrophobicContact CG2-CE 3.53Å
404	I	96.4	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.3	162.3	60.4	175.1	0	0	0	109.7	I342 M369 V370 E371 I372 T406 A438 V442 P443 L446	I342-I404 HydrophobicContact CD1-CD1 3.97Å; I342-I404 HydrophobicContact CG1-CD1 4.14Å; I342-I404 HydrophobicContact CG2-CD1 4.12Å; M369-I404 HydrophobicContact CB-CD1 4.45Å; M369-I404 HydrophobicContact CB-CG1 4.47Å; M369-I404 HydrophobicContact CB-CG2 4.17Å; M369-I404 HydrophobicContact CG-CG2 4.38Å; V370-I404 PolarHBondContact O-N 2.82Å; E371-I404 HydrophobicContact CB-CD1 4.17Å; E371-I404 HydrophobicContact CB-CG1 3.88Å; E371-I404 HydrophobicContact CG-CG1 4.44Å; I372-I404 PolarHBondContact N-O 3.2Å; I404-T406 HydrophobicContact CD1-CG2 4.2Å; I404-T406 HydrophobicContact CG1-CG2 4.36Å; I404-A438 WeakPolarHBondContact CA-O 3.39Å; I404-V442 HydrophobicContact CG2-CB 4.24Å; I404-V442 HydrophobicContact CG2-CG1 3.63Å; I404-P443 HydrophobicContact CG2-CG 4.17Å; I404-L446 HydrophobicContact CD1-CD2 4.09Å
405	L	97.1	Very high	93.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.5	171	-66.1	176.9	0	0	0	108.8	I372 V421 F428 M430 A435 A438 I439	I372-L405 HydrophobicContact CB-CD2 3.98Å; I372-L405 HydrophobicContact CG2-CD2 4.11Å; L405-V421 HydrophobicContact CB-CG1 3.99Å; L405-V421 HydrophobicContact CD1-CG1 4.04Å; L405-F428 HydrophobicContact CD2-CD2 3.89Å; L405-F428 HydrophobicContact CD2-CE2 4.04Å; L405-M430 HydrophobicContact CD1-CE 4.38Å; L405-M430 HydrophobicContact CD1-SD 4.03Å; L405-M430 HydrophobicContact CD2-CE 3.83Å; L405-M430 HydrophobicContact CG-CE 4.2Å; L405-M430 HydrophobicContact CG-SD 4.43Å; L405-A435 HydrophobicContact CD1-CB 4.49Å; L405-A438 HydrophobicContact CB-CB 4.45Å; L405-A438 HydrophobicContact CD1-CB 4.2Å; L405-A438 HydrophobicContact CG-CB 3.9Å; L405-A438 PolarHBondContact N-O 3.44Å; L405-I439 HydrophobicContact CB-CG2 3.75Å; L405-I439 HydrophobicContact CD1-CG2 4.41Å
406	T	97.4	Very high	93.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.1	178.4	67.3	0	0	0	0	111.2	L206 N207 E371 I372 S373 Y374 I404	L206-T406 HydrophobicContact CB-CG2 4.28Å; N207-T406 VanDerWaalsContact CB-CB 3.44Å; N207-T406 HydrophobicContact CB-CG2 3.99Å; N207-T406 WeakPolarHBondContact CB-OG1 3.47Å; N207-T406 PolarHBondContact ND2-OG1 3.11Å; E371-T406 HydrophobicContact CG-CG2 4.28Å; E371-T406 WeakPolarHBondContact CG-OG1 3.43Å; E371-T406 WeakPolarHBondContact OE1-CG2 3.5Å; E371-T406 PolarHBondContact OE1-OG1 3.15Å; I372-T406 PolarHBondContact O-N 3.17Å; I372-T406 VanDerWaalsContact O-N 3.13Å; S373-T406 CarbonylContact C-O 3.5Å; S373-T406 VanDerWaalsContact CA-O 3.22Å; S373-T406 WeakPolarHBondContact CA-O 3.46Å; Y374-T406 WeakPolarHBondContact CD1-O 3.35Å; Y374-T406 VanDerWaalsContact CE1-C 3.46Å; Y374-T406 WeakPolarHBondContact CE1-O 3.17Å; Y374-T406 PolarHBondContact N-O 3.41Å; I404-T406 HydrophobicContact CD1-CG2 4.2Å; I404-T406 HydrophobicContact CG1-CG2 4.36Å
407	S	96.7	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.			trans	-73.7	-42.3	179.6	58.8	0	0	0	0	113.5	D205 N207 Y374 K375 A409 L415	D205-S407 VanDerWaalsContact CG-OG 3.31Å; D205-S407 PolarHBondContact OD1-N 3.07Å; D205-S407 PolarHBondContact OD1-OG 3.33Å; D205-S407 WeakPolarHBondContact OD2-CB 3.46Å; D205-S407 PolarHBondContact OD2-N 2.58Å; D205-S407 PolarHBondContact OD2-OG 3.39Å; N207-S407 PolarHBondContact O-OG 2.97Å; Y374-S407 VanDerWaalsContact CZ-CA 3.42Å; Y374-S407 VanDerWaalsContact CZ-CB 3.48Å; Y374-S407 VanDerWaalsContact OH-CB 3.28Å; Y374-S407 WeakPolarHBondContact OH-CB 3.22Å; K375-S407 WeakPolarHBondContact CB-O 3.31Å; K375-S407 PolarHBondContact N-O 3.37Å; S407-A409 PolarHBondContact O-N 2.96Å; S407-A409 VanDerWaalsContact OG-CB 3.24Å; S407-A409 WeakPolarHBondContact OG-CB 3.29Å; S407-A409 PolarHBondContact OG-N 2.6Å; S407-L415 WeakPolarHBondContact OG-CD2 3.43Å
408	R	96.1	Very high	92.6	Very high	58 Å²	58	32.3 Å²	32.3	22%	0.219	16%	0.157	C	C	.	.			trans	57.2	31.4	-158.6	-159.4	177.2	177	-156.7	-4.3	111.2	N207 V209 E240 K375	N207-R408 CarbonylContact O-C 3.58Å; N207-R408 WeakPolarHBondContact O-CA 3.3Å; N207-R408 PolarHBondContact O-N 3.45Å; V209-R408 HydrophobicContact CG2-CB 4.35Å; V209-R408 HydrophobicContact CG2-CG 3.45Å; V209-R408 VanDerWaalsContact CG2-CG 3.45Å; E240-R408 IonicContact OE1-CZ 2.8Å; E240-R408 VanDerWaalsContact OE1-CZ 3.25Å; E240-R408 IonicContact OE1-NE 2.94Å; E240-R408 PolarHBondContact OE1-NE 2.72Å; E240-R408 IonicContact OE1-NH2 2.9Å; E240-R408 PolarHBondContact OE1-NH2 2.93Å; E240-R408 IonicContact OE2-NH2 3.16Å; E240-R408 PolarHBondContact OE2-NH2 3.21Å; E240-R408 VanDerWaalsContact OE2-NH2 3.16Å; K375-R408 VanDerWaalsContact CD-O 3.25Å; K375-R408 WeakPolarHBondContact CD-O 3.44Å
409	A	95.3	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-74.7	137.5	-175.3	0	0	0	0	0	111.8	N207 I208 V209 S407 E414 L415	N207-A409 PolarHBondContact O-N 2.83Å; I208-A409 CarbonylContact C-O 3.54Å; I208-A409 WeakPolarHBondContact CA-O 3.33Å; V209-A409 PolarHBondContact N-O 2.89Å; S407-A409 PolarHBondContact O-N 2.96Å; S407-A409 VanDerWaalsContact OG-CB 3.24Å; S407-A409 WeakPolarHBondContact OG-CB 3.29Å; S407-A409 PolarHBondContact OG-N 2.6Å; A409-E414 HydrophobicContact CB-CB 3.76Å; A409-L415 HydrophobicContact CB-CD2 3.67Å; A409-L415 HydrophobicContact CB-CG 3.66Å
410	S	93.5	Very high	92.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	19%	0.188	C	C	.	.	S	Bend	trans	-120.2	-5.3	173	58.1	0	0	0	0	112.1	R211 Q214 K375 E414	R211-S410 PolarHBondContact NE-OG 2.95Å; R211-S410 PolarHBondContact NH2-OG 2.96Å; Q214-S410 PolarHBondContact NE2-O 2.9Å; K375-S410 PolarHBondContact NZ-OG 3.26Å; S410-E414 PolarHBondContact N-OE2 3.25Å; S410-E414 PolarHBondContact OG-OE2 3.48Å
411	R	92.9	Very high	92.6	Very high	135 Å²	135	36.4 Å²	36.4	51%	0.509	17%	0.172	S	C	.	.	S	Bend	trans	-143.6	149.3	179.6	-63.4	-179.8	176.7	179.1	-2.6	109.4	I413 E414	R411-I413 VanDerWaalsContact C-N 3.28Å; R411-I413 HydrophobicContact CB-CG2 4.35Å; R411-I413 PolarHBondContact O-N 3.24Å; R411-E414 HydrophobicContact CB-CG 4.25Å; R411-E414 PolarHBondContact N-OE2 3.04Å; R411-E414 WeakPolarHBondContact O-CB 3.36Å; R411-E414 PolarHBondContact O-N 3.43Å
412	P	93.2	Very high	92.9	Very high	38 Å²	38	32.9 Å²	32.9	25%	0.247	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-54.5	-41	-178.6	-29.7	37.2	0	0	0	113.8	V222 F225 E414 L415	V222-P412 HydrophobicContact CG2-CG 4.21Å; F225-P412 HydrophobicContact CB-CB 3.95Å; F225-P412 HydrophobicContact CB-CG 4.43Å; F225-P412 HydrophobicContact CD1-CB 3.56Å; F225-P412 WeakPolarHBondContact CD1-O 3.01Å; F225-P412 HydrophobicContact CE1-CB 4.13Å; F225-P412 WeakPolarHBondContact CE1-O 3.45Å; F225-P412 HydrophobicContact CG-CB 3.83Å; P412-E414 PolarHBondContact O-N 3Å; P412-L415 WeakPolarHBondContact O-CB 3.24Å; P412-L415 PolarHBondContact O-N 3.39Å
413	I	92.6	Very high	92.9	Very high	136 Å²	136	37.7 Å²	37.7	70%	0.697	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-64.9	-10.9	179.6	-163	157.7	0	0	0	114.5	R411 R416	R411-I413 VanDerWaalsContact C-N 3.28Å; R411-I413 HydrophobicContact CB-CG2 4.35Å; R411-I413 PolarHBondContact O-N 3.24Å; I413-R416 PolarHBondContact O-NH1 3.49Å
414	E	94.3	Very high	92.8	Very high	21 Å²	21	38.5 Å²	38.5	10%	0.098	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-90.2	-12.4	175.6	-59	175.9	159.8	0	0	112.1	Y374 K375 A409 S410 R411 P412	Y374-E414 WeakPolarHBondContact CE2-O 3.43Å; K375-E414 HydrophobicContact CD-CG 4.45Å; K375-E414 VanDerWaalsContact CE-CD 3.5Å; K375-E414 WeakPolarHBondContact CE-OE1 3.09Å; K375-E414 IonicContact NZ-OE1 2.72Å; K375-E414 PolarHBondContact NZ-OE1 2.93Å; K375-E414 IonicContact NZ-OE2 2.62Å; K375-E414 PolarHBondContact NZ-OE2 2.74Å; A409-E414 HydrophobicContact CB-CB 3.76Å; S410-E414 PolarHBondContact N-OE2 3.25Å; S410-E414 PolarHBondContact OG-OE2 3.48Å; R411-E414 HydrophobicContact CB-CG 4.25Å; R411-E414 PolarHBondContact N-OE2 3.04Å; R411-E414 WeakPolarHBondContact O-CB 3.36Å; R411-E414 PolarHBondContact O-N 3.43Å; P412-E414 PolarHBondContact O-N 3Å
415	L	95.1	Very high	92.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	18%	0.183	C	C	.	.			trans	-85.6	154.7	175.4	-71.6	168.6	0	0	0	111.2	V222 F225 A226 M230 S407 A409 P412	V222-L415 HydrophobicContact CG1-CD1 3.58Å; V222-L415 HydrophobicContact CG1-CG 4.23Å; V222-L415 WeakPolarHBondContact O-CD1 3.48Å; F225-L415 HydrophobicContact CD1-CB 4.26Å; F225-L415 HydrophobicContact CD1-CD1 4.07Å; F225-L415 HydrophobicContact CE1-CB 4.45Å; A226-L415 HydrophobicContact CB-CD1 3.81Å; M230-L415 HydrophobicContact CE-CB 3.56Å; M230-L415 VanDerWaalsContact CE-O 3.27Å; M230-L415 WeakPolarHBondContact CE-O 3.16Å; M230-L415 HydrophobicContact SD-CB 3.53Å; M230-L415 VanDerWaalsContact SD-CB 3.53Å; M230-L415 HydrophobicContact SD-CD1 4.49Å; S407-L415 WeakPolarHBondContact OG-CD2 3.43Å; A409-L415 HydrophobicContact CB-CD2 3.67Å; A409-L415 HydrophobicContact CB-CG 3.66Å; P412-L415 WeakPolarHBondContact O-CB 3.24Å; P412-L415 PolarHBondContact O-N 3.39Å
416	R	94.4	Very high	92.4	Very high	64 Å²	64	45.7 Å²	45.7	24%	0.242	21%	0.211	C	C	.	.			trans	-136.8	147.2	176.3	-73.2	-61.9	177	-75.6	0.7	109.3	M230 Y232 Y374 L378 I413 D420 V421 I424	M230-R416 VanDerWaalsContact SD-O 3.36Å; Y232-R416 WeakPolarHBondContact CE2-O 3.27Å; Y232-R416 PolarHBondContact OH-O 3.27Å; Y374-R416 HydrophobicContact CE2-CB 4.22Å; Y374-R416 HydrophobicContact CE2-CG 4.11Å; Y374-R416 PolarHBondContact OH-N 3.29Å; Y374-R416 VanDerWaalsContact OH-N 3.15Å; L378-R416 HydrophobicContact CD1-CG 3.94Å; I413-R416 PolarHBondContact O-NH1 3.49Å; R416-D420 HydrophobicContact CB-CB 3.77Å; R416-D420 HydrophobicContact CG-CB 4.27Å; R416-V421 HydrophobicContact CB-CG2 3.8Å; R416-I424 HydrophobicContact CG-CD1 4.14Å
417	G	89.5	Confident	92.2	Very high	15 Å²	15	50.1 Å²	50.1	16%	0.155	23%	0.234	C	C	.	.			trans	-60.6	157.5	173.4	0	0	0	0	0	110.5	Y419 D420 V421	G417-Y419 PolarHBondContact O-N 3.38Å; G417-D420 WeakPolarHBondContact O-CB 3.42Å; G417-D420 PolarHBondContact O-N 2.98Å; G417-D420 VanDerWaalsContact O-N 3.07Å; G417-V421 WeakPolarHBondContact O-CG2 3.42Å; G417-V421 PolarHBondContact O-N 3.04Å
418	P	84.7	Confident	92.1	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.071	23%	0.234	C	C	.	.	H	α-helix	trans	-52.1	-42	-177	26.6	-40.8	0	0	0	113.1	L203 V421 I422 I439	L203-P418 HydrophobicContact CD1-CB 3.51Å; L203-P418 HydrophobicContact CD1-CG 3.42Å; L203-P418 VanDerWaalsContact CD1-CG 3.42Å; L203-P418 HydrophobicContact CD2-CB 3.49Å; L203-P418 VanDerWaalsContact CD2-CB 3.49Å; L203-P418 HydrophobicContact CD2-CG 4.35Å; L203-P418 HydrophobicContact CG-CB 4.02Å; L203-P418 HydrophobicContact CG-CG 4.45Å; P418-V421 PolarHBondContact O-N 3.11Å; P418-I422 VanDerWaalsContact O-CG1 3.32Å; P418-I422 WeakPolarHBondContact O-CG1 3.46Å; P418-I422 PolarHBondContact O-N 3.3Å; P418-I439 HydrophobicContact CB-CD1 3.91Å; P418-I439 WeakPolarHBondContact O-CD1 3.32Å
419	Y	83.1	Confident	91.9	Very high	116 Å²	116	49.7 Å²	49.7	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-66.6	-41.4	179.7	-56.3	-58.5	0	0	0	112.5	E27 G417 V421 I422 N423	E27-Y419 HydrophobicContact CG-CD1 3.99Å; E27-Y419 HydrophobicContact CG-CE1 4.19Å; E27-Y419 WeakPolarHBondContact OE1-CE1 3.26Å; E27-Y419 WeakPolarHBondContact OE2-CE1 3.33Å; G417-Y419 PolarHBondContact O-N 3.38Å; Y419-V421 VanDerWaalsContact C-N 3.27Å; Y419-V421 PolarHBondContact O-N 2.93Å; Y419-I422 HydrophobicContact CD1-CD1 4.41Å; Y419-I422 PolarHBondContact O-N 3.41Å; Y419-N423 VanDerWaalsContact O-CG 3.32Å; Y419-N423 PolarHBondContact O-N 3.47Å; Y419-N423 PolarHBondContact O-ND2 3.38Å
420	D	89.9	Confident	91.8	Very high	84 Å²	84	49.9 Å²	49.9	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-38.8	172.5	-74.3	-14.3	0	0	0	110.9	R416 G417 N423 I424	R416-D420 HydrophobicContact CB-CB 3.77Å; R416-D420 HydrophobicContact CG-CB 4.27Å; G417-D420 WeakPolarHBondContact O-CB 3.42Å; G417-D420 PolarHBondContact O-N 2.98Å; G417-D420 VanDerWaalsContact O-N 3.07Å; D420-N423 PolarHBondContact O-N 3.18Å; D420-I424 WeakPolarHBondContact O-CD1 3.36Å; D420-I424 WeakPolarHBondContact O-CG1 3.21Å; D420-I424 PolarHBondContact O-N 3.12Å
421	V	93.6	Very high	91.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-38.1	176.8	-176.6	0	0	0	0	111.5	Y374 L405 R416 G417 P418 Y419 N423 I424 G425 I439	Y374-V421 HydrophobicContact CD1-CG1 3.97Å; Y374-V421 HydrophobicContact CD1-CG2 4.31Å; Y374-V421 HydrophobicContact CE1-CB 4.34Å; Y374-V421 HydrophobicContact CE1-CG1 3.8Å; Y374-V421 HydrophobicContact CE1-CG2 3.52Å; L405-V421 HydrophobicContact CB-CG1 3.99Å; L405-V421 HydrophobicContact CD1-CG1 4.04Å; R416-V421 HydrophobicContact CB-CG2 3.8Å; G417-V421 WeakPolarHBondContact O-CG2 3.42Å; G417-V421 PolarHBondContact O-N 3.04Å; P418-V421 PolarHBondContact O-N 3.11Å; Y419-V421 VanDerWaalsContact C-N 3.27Å; Y419-V421 PolarHBondContact O-N 2.93Å; V421-N423 VanDerWaalsContact C-N 3.34Å; V421-I424 PolarHBondContact O-N 3.49Å; V421-G425 PolarHBondContact O-N 3.37Å; V421-I439 HydrophobicContact CB-CG2 4.43Å; V421-I439 HydrophobicContact CG1-CG2 3.59Å
422	I	89.2	Confident	91	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-46.6	172.8	-69.9	166.3	0	0	0	110.2	E27 P418 Y419 I424 G425 Y426 T432 A435 R436 I439	E27-I422 HydrophobicContact CG-CD1 3.95Å; P418-I422 VanDerWaalsContact O-CG1 3.32Å; P418-I422 WeakPolarHBondContact O-CG1 3.46Å; P418-I422 PolarHBondContact O-N 3.3Å; Y419-I422 HydrophobicContact CD1-CD1 4.41Å; Y419-I422 PolarHBondContact O-N 3.41Å; I422-I424 VanDerWaalsContact C-N 3.33Å; I422-I424 PolarHBondContact O-N 3.21Å; I422-G425 WeakPolarHBondContact O-CA 3.41Å; I422-G425 PolarHBondContact O-N 3.39Å; I422-Y426 PolarHBondContact O-N 2.91Å; I422-T432 HydrophobicContact CG2-CG2 3.79Å; I422-A435 HydrophobicContact CB-CB 4.44Å; I422-A435 HydrophobicContact CG2-CB 4.14Å; I422-A435 WeakPolarHBondContact O-CB 3.23Å; I422-R436 HydrophobicContact CD1-CB 3.82Å; I422-R436 HydrophobicContact CD1-CG 4.05Å; I422-R436 HydrophobicContact CG1-CB 4.09Å; I422-I439 HydrophobicContact CD1-CD1 4.18Å; I422-I439 HydrophobicContact CG1-CD1 3.85Å
423	N	89.7	Confident	90.4	Very high	101 Å²	101	47.3 Å²	47.3	54%	0.54	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-37.1	176.7	-70.5	-26.8	0	0	0	112.3	Y419 D420 V421 G425 Y426 L427	Y419-N423 VanDerWaalsContact O-CG 3.32Å; Y419-N423 PolarHBondContact O-N 3.47Å; Y419-N423 PolarHBondContact O-ND2 3.38Å; D420-N423 PolarHBondContact O-N 3.18Å; V421-N423 VanDerWaalsContact C-N 3.34Å; N423-G425 VanDerWaalsContact C-N 3.34Å; N423-Y426 WeakPolarHBondContact O-CB 2.95Å; N423-Y426 PolarHBondContact O-N 3.25Å; N423-L427 PolarHBondContact O-N 2.72Å
424	I	94.3	Very high	90.2	Very high	19 Å²	19	42.9 Å²	42.9	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-38.6	171.8	-69.3	161.9	0	0	0	110.9	Y374 L378 R416 D420 V421 I422 Y426 L427 F428	Y374-I424 HydrophobicContact CD2-CD1 4.23Å; Y374-I424 HydrophobicContact CG-CD1 4.42Å; L378-I424 HydrophobicContact CD2-CD1 4.03Å; R416-I424 HydrophobicContact CG-CD1 4.14Å; D420-I424 WeakPolarHBondContact O-CD1 3.36Å; D420-I424 WeakPolarHBondContact O-CG1 3.21Å; D420-I424 PolarHBondContact O-N 3.12Å; V421-I424 PolarHBondContact O-N 3.49Å; I422-I424 VanDerWaalsContact C-N 3.33Å; I422-I424 PolarHBondContact O-N 3.21Å; I424-Y426 PolarHBondContact O-N 3.37Å; I424-L427 VanDerWaalsContact O-CB 3.32Å; I424-L427 WeakPolarHBondContact O-CB 3.27Å; I424-L427 PolarHBondContact O-N 3.4Å; I424-F428 HydrophobicContact CG2-CD2 4.28Å; I424-F428 HydrophobicContact CG2-CE2 3.6Å; I424-F428 HydrophobicContact CG2-CZ 4Å; I424-F428 PolarHBondContact O-N 2.89Å
425	G	94	Very high	89.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-38.4	173.5	0	0	0	0	0	112.5	V421 I422 N423 L427 F428 G429 M430	V421-G425 PolarHBondContact O-N 3.37Å; I422-G425 WeakPolarHBondContact O-CA 3.41Å; I422-G425 PolarHBondContact O-N 3.39Å; N423-G425 VanDerWaalsContact C-N 3.34Å; G425-L427 VanDerWaalsContact C-N 3.29Å; G425-L427 PolarHBondContact O-N 3.41Å; G425-F428 CarbonylContact O-C 3.22Å; G425-F428 WeakPolarHBondContact O-CA 3.47Å; G425-F428 WeakPolarHBondContact O-CB 3.41Å; G425-F428 PolarHBondContact O-N 2.81Å; G425-G429 PolarHBondContact O-N 2.87Å; G425-M430 VanDerWaalsContact O-CB 3.3Å; G425-M430 WeakPolarHBondContact O-CB 3.15Å; G425-M430 WeakPolarHBondContact O-CG 3.13Å; G425-M430 PolarHBondContact O-N 3.13Å
426	Y	90.7	Very high	89.5	Confident	154 Å²	154	42 Å²	42	60%	0.604	22%	0.218	S	C	*	.	H	α-helix	trans	-58.8	-39.1	173	-174	-99.6	0	0	0	112.6	I422 N423 I424 F428 G429 M430	I422-Y426 PolarHBondContact O-N 2.91Å; N423-Y426 WeakPolarHBondContact O-CB 2.95Å; N423-Y426 PolarHBondContact O-N 3.25Å; I424-Y426 PolarHBondContact O-N 3.37Å; Y426-F428 PolarHBondContact O-N 3.36Å; Y426-G429 WeakPolarHBondContact O-CA 3.24Å; Y426-G429 PolarHBondContact O-N 2.58Å; Y426-M430 WeakPolarHBondContact CA-O 3.35Å; Y426-M430 WeakPolarHBondContact CD2-O 3.39Å
427	L	92.9	Very high	89.2	Confident	94 Å²	94	40.2 Å²	40.2	49%	0.492	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-29	174.3	-56.3	178	0	0	0	112.5	I388 N423 I424 G425 G429	I388-L427 HydrophobicContact CD1-CB 4.43Å; I388-L427 HydrophobicContact CD1-CD1 4.21Å; I388-L427 HydrophobicContact CG1-CB 4.47Å; I388-L427 HydrophobicContact CG2-CB 4.39Å; I388-L427 VanDerWaalsContact CG2-O 3.32Å; I388-L427 WeakPolarHBondContact CG2-O 3.39Å; N423-L427 PolarHBondContact O-N 2.72Å; I424-L427 VanDerWaalsContact O-CB 3.32Å; I424-L427 WeakPolarHBondContact O-CB 3.27Å; I424-L427 PolarHBondContact O-N 3.4Å; G425-L427 VanDerWaalsContact C-N 3.29Å; G425-L427 PolarHBondContact O-N 3.41Å; L427-G429 PolarHBondContact O-N 2.98Å
428	F	94.8	Very high	89.3	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	9.4	171.6	-57.6	-47.4	0	0	0	113.4	M347 I372 I388 S392 L405 I424 G425 Y426	M347-F428 HydrophobicContact CE-CE1 4.42Å; I372-F428 HydrophobicContact CG2-CD2 4Å; I372-F428 HydrophobicContact CG2-CE1 4.39Å; I372-F428 HydrophobicContact CG2-CE2 3.65Å; I372-F428 HydrophobicContact CG2-CZ 3.87Å; I388-F428 HydrophobicContact CG1-CE1 4.33Å; S392-F428 VanDerWaalsContact CA-O 3.22Å; S392-F428 WeakPolarHBondContact CA-O 3.23Å; L405-F428 HydrophobicContact CD2-CD2 3.89Å; L405-F428 HydrophobicContact CD2-CE2 4.04Å; I424-F428 HydrophobicContact CG2-CD2 4.28Å; I424-F428 HydrophobicContact CG2-CE2 3.6Å; I424-F428 HydrophobicContact CG2-CZ 4Å; I424-F428 PolarHBondContact O-N 2.89Å; G425-F428 CarbonylContact O-C 3.22Å; G425-F428 WeakPolarHBondContact O-CA 3.47Å; G425-F428 WeakPolarHBondContact O-CB 3.41Å; G425-F428 PolarHBondContact O-N 2.81Å; Y426-F428 PolarHBondContact O-N 3.36Å
429	G	93.1	Very high	89.6	Confident	47 Å²	47	39.1 Å²	39.1	49%	0.485	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	17.5	177.6	0	0	0	0	0	114.2	F395 G425 Y426 L427	F395-G429 VanDerWaalsContact CE1-O 3.22Å; F395-G429 WeakPolarHBondContact CE1-O 3.35Å; G425-G429 PolarHBondContact O-N 2.87Å; Y426-G429 WeakPolarHBondContact O-CA 3.24Å; Y426-G429 PolarHBondContact O-N 2.58Å; L427-G429 PolarHBondContact O-N 2.98Å
430	M	93.1	Very high	89.8	Confident	4 Å²	4	34 Å²	34	2%	0.02	18%	0.183	C	C	.	.			trans	-82.6	151.6	171.6	-54.6	-178.6	-179.1	0	0	110.3	I372 F395 I403 L405 G425 Y426 E434 A435	I372-M430 HydrophobicContact CD1-CE 4.31Å; F395-M430 HydrophobicContact CB-CE 4.34Å; F395-M430 HydrophobicContact CD1-CG 4.12Å; F395-M430 HydrophobicContact CD2-CE 3.7Å; F395-M430 HydrophobicContact CD2-CG 3.75Å; F395-M430 HydrophobicContact CD2-SD 4.37Å; F395-M430 HydrophobicContact CE1-CB 4.47Å; F395-M430 HydrophobicContact CE1-CG 4.08Å; F395-M430 HydrophobicContact CE2-CB 4.44Å; F395-M430 HydrophobicContact CE2-CE 4.3Å; F395-M430 HydrophobicContact CE2-CG 3.68Å; F395-M430 HydrophobicContact CE2-SD 4.43Å; F395-M430 HydrophobicContact CG-CE 4.18Å; F395-M430 HydrophobicContact CG-CG 3.96Å; F395-M430 HydrophobicContact CZ-CB 4.23Å; F395-M430 HydrophobicContact CZ-CG 3.87Å; I403-M430 HydrophobicContact CB-CE 4.39Å; I403-M430 HydrophobicContact CG2-CE 3.53Å; L405-M430 HydrophobicContact CD1-CE 4.38Å; L405-M430 HydrophobicContact CD1-SD 4.03Å; L405-M430 HydrophobicContact CD2-CE 3.83Å; L405-M430 HydrophobicContact CG-CE 4.2Å; L405-M430 HydrophobicContact CG-SD 4.43Å; G425-M430 VanDerWaalsContact O-CB 3.3Å; G425-M430 WeakPolarHBondContact O-CB 3.15Å; G425-M430 WeakPolarHBondContact O-CG 3.13Å; G425-M430 PolarHBondContact O-N 3.13Å; Y426-M430 WeakPolarHBondContact CA-O 3.35Å; Y426-M430 WeakPolarHBondContact CD2-O 3.39Å; M430-E434 HydrophobicContact CB-CB 4.08Å; M430-A435 HydrophobicContact CB-CB 4.07Å; M430-A435 HydrophobicContact SD-CB 4.03Å
431	T	86.9	Confident	89.5	Confident	73 Å²	73	31.8 Å²	31.8	45%	0.448	17%	0.173	S	C	.	.			trans	-72.3	161.9	160.2	60.6	0	0	0	0	110.7	M433 E434 A435	T431-M433 PolarHBondContact O-N 2.99Å; T431-E434 WeakPolarHBondContact CB-OE2 3.28Å; T431-E434 WeakPolarHBondContact CG2-OE2 3.33Å; T431-E434 PolarHBondContact N-OE2 2.71Å; T431-E434 PolarHBondContact O-N 3.13Å; T431-E434 VanDerWaalsContact O-N 3.09Å; T431-E434 WeakPolarHBondContact OG1-CB 3.4Å; T431-E434 WeakPolarHBondContact OG1-CG 3.33Å; T431-E434 PolarHBondContact OG1-N 3.07Å; T431-E434 PolarHBondContact OG1-OE2 2.96Å; T431-A435 PolarHBondContact O-N 2.89Å
432	T	82.6	Confident	89.3	Confident	35 Å²	35	32 Å²	32	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-51.4	-44.8	176.3	-50.2	0	0	0	0	112.1	E27 Y30 I422 R436	E27-T432 HydrophobicContact CB-CG2 3.77Å; E27-T432 HydrophobicContact CG-CG2 4.25Å; Y30-T432 HydrophobicContact CD2-CG2 4.2Å; I422-T432 HydrophobicContact CG2-CG2 3.79Å; T432-R436 WeakPolarHBondContact O-CB 3.43Å; T432-R436 PolarHBondContact O-N 2.85Å
433	M	79	Confident	89.5	Confident	12 Å²	12	31.9 Å²	31.9	6%	0.059	17%	0.174	C	C	.	.	H	α-helix	trans	-65.4	-44.2	177.9	176.9	53.7	72.8	0	0	112.3	I9 Y30 T431 A435 R436 H437	I9-M433 HydrophobicContact CG2-CE 3.78Å; Y30-M433 VanDerWaalsContact CB-CE 3.42Å; Y30-M433 HydrophobicContact CD1-CB 4.42Å; Y30-M433 HydrophobicContact CD1-CE 3.08Å; Y30-M433 HydrophobicContact CD2-CB 4.5Å; Y30-M433 HydrophobicContact CD2-CE 4.39Å; Y30-M433 HydrophobicContact CE1-CB 4.34Å; Y30-M433 HydrophobicContact CE1-CE 3.9Å; Y30-M433 HydrophobicContact CE2-CB 4.49Å; Y30-M433 HydrophobicContact CG-CB 4.48Å; Y30-M433 HydrophobicContact CG-CE 3.38Å; T431-M433 PolarHBondContact O-N 2.99Å; M433-A435 PolarHBondContact O-N 3.43Å; M433-R436 PolarHBondContact O-N 2.73Å; M433-H437 WeakPolarHBondContact O-CB 3.49Å; M433-H437 PolarHBondContact O-N 2.84Å; M433-H437 PolarHBondContact SD-CD2 2.74Å; M433-H437 PolarHBondContact SD-NE2 3.02Å
434	E	88.5	Confident	89.4	Confident	43 Å²	43	32.1 Å²	32.1	20%	0.201	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-41.2	179.1	-70.9	168.1	140.9	0	0	111.9	F395 R400 M430 T431 H437 A438	F395-E434 HydrophobicContact CZ-CB 4.48Å; R400-E434 HydrophobicContact CB-CB 4.48Å; R400-E434 HydrophobicContact CB-CG 3.82Å; R400-E434 WeakPolarHBondContact CB-OE1 3.27Å; R400-E434 WeakPolarHBondContact CD-OE1 3.41Å; M430-E434 HydrophobicContact CB-CB 4.08Å; T431-E434 WeakPolarHBondContact CB-OE2 3.28Å; T431-E434 WeakPolarHBondContact CG2-OE2 3.33Å; T431-E434 PolarHBondContact N-OE2 2.71Å; T431-E434 PolarHBondContact O-N 3.13Å; T431-E434 VanDerWaalsContact O-N 3.09Å; T431-E434 WeakPolarHBondContact OG1-CB 3.4Å; T431-E434 WeakPolarHBondContact OG1-CG 3.33Å; T431-E434 PolarHBondContact OG1-N 3.07Å; T431-E434 PolarHBondContact OG1-OE2 2.96Å; E434-H437 PolarHBondContact O-N 3.2Å; E434-A438 PolarHBondContact O-N 3.29Å
435	A	89.7	Confident	89	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-41.4	176.3	0	0	0	0	0	111.8	L405 I422 M430 T431 M433 A438	L405-A435 HydrophobicContact CD1-CB 4.49Å; I422-A435 HydrophobicContact CB-CB 4.44Å; I422-A435 HydrophobicContact CG2-CB 4.14Å; I422-A435 WeakPolarHBondContact O-CB 3.23Å; M430-A435 HydrophobicContact CB-CB 4.07Å; M430-A435 HydrophobicContact SD-CB 4.03Å; T431-A435 PolarHBondContact O-N 2.89Å; M433-A435 PolarHBondContact O-N 3.43Å; A435-A438 WeakPolarHBondContact O-CB 3.38Å; A435-A438 PolarHBondContact O-N 3.14Å
436	R	86.4	Confident	88.9	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-47.3	173.7	-179.9	178.4	168.1	133.3	-1.6	111.8	E27 L31 D34 I422 T432 M433 A438 I439 S440	E27-R436 IonicContact OE1-CZ 3.94Å; E27-R436 IonicContact OE1-NH1 2.61Å; E27-R436 PolarHBondContact OE1-NH1 2.83Å; L31-R436 VanDerWaalsContact CB-NH1 3.26Å; D34-R436 VanDerWaalsContact CB-NH2 3.26Å; D34-R436 VanDerWaalsContact CG-NH2 3.28Å; D34-R436 IonicContact OD2-CZ 3.15Å; D34-R436 IonicContact OD2-NE 2.67Å; D34-R436 PolarHBondContact OD2-NE 2.89Å; D34-R436 IonicContact OD2-NH2 3.04Å; D34-R436 PolarHBondContact OD2-NH2 2.88Å; I422-R436 HydrophobicContact CD1-CB 3.82Å; I422-R436 HydrophobicContact CD1-CG 4.05Å; I422-R436 HydrophobicContact CG1-CB 4.09Å; T432-R436 WeakPolarHBondContact O-CB 3.43Å; T432-R436 PolarHBondContact O-N 2.85Å; M433-R436 PolarHBondContact O-N 2.73Å; R436-A438 PolarHBondContact O-N 3.37Å; R436-I439 WeakPolarHBondContact O-CG1 3.46Å; R436-I439 PolarHBondContact O-N 2.84Å; R436-I439 VanDerWaalsContact O-N 3.17Å; R436-S440 PolarHBondContact O-N 2.92Å; R436-S440 VanDerWaalsContact O-N 3.15Å; R436-S440 PolarHBondContact O-OG 3.42Å
437	H	87	Confident	89	Confident	25 Å²	25	30.4 Å²	30.4	12%	0.116	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-36.9	175.6	-81.6	-166.8	0	0	0	112.4	M433 E434 I439 S440 V441 V442	M433-H437 WeakPolarHBondContact O-CB 3.49Å; M433-H437 PolarHBondContact O-N 2.84Å; M433-H437 PolarHBondContact SD-CD2 2.74Å; M433-H437 PolarHBondContact SD-NE2 3.02Å; E434-H437 PolarHBondContact O-N 3.2Å; H437-I439 PolarHBondContact O-N 2.83Å; H437-S440 PolarHBondContact O-N 2.64Å; H437-V441 HydrophobicContact CB-CB 4.44Å; H437-V441 PolarHBondContact O-N 2.97Å; H437-V442 HydrophobicContact CB-CG2 4.43Å; H437-V442 WeakPolarHBondContact O-CB 3.38Å; H437-V442 WeakPolarHBondContact O-CG2 3.38Å; H437-V442 PolarHBondContact O-N 3.26Å
438	A	92.5	Very high	88.7	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-15.9	-179.9	0	0	0	0	0	114.2	I404 L405 E434 A435 R436 P443	I404-A438 WeakPolarHBondContact CA-O 3.39Å; L405-A438 HydrophobicContact CB-CB 4.45Å; L405-A438 HydrophobicContact CD1-CB 4.2Å; L405-A438 HydrophobicContact CG-CB 3.9Å; L405-A438 PolarHBondContact N-O 3.44Å; E434-A438 PolarHBondContact O-N 3.29Å; A435-A438 WeakPolarHBondContact O-CB 3.38Å; A435-A438 PolarHBondContact O-N 3.14Å; R436-A438 PolarHBondContact O-N 3.37Å; A438-P443 WeakPolarHBondContact O-CD 3.46Å; A438-P443 WeakPolarHBondContact O-CG 3.49Å
439	I	91	Very high	88.4	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-113.9	-7.3	177	64.4	168.5	0	0	0	114.7	L203 A204 L405 P418 V421 I422 R436 H437	L203-I439 HydrophobicContact CD2-CD1 4.08Å; A204-I439 PolarHBondContact N-O 3.25Å; L405-I439 HydrophobicContact CB-CG2 3.75Å; L405-I439 HydrophobicContact CD1-CG2 4.41Å; P418-I439 HydrophobicContact CB-CD1 3.91Å; P418-I439 WeakPolarHBondContact O-CD1 3.32Å; V421-I439 HydrophobicContact CB-CG2 4.43Å; V421-I439 HydrophobicContact CG1-CG2 3.59Å; I422-I439 HydrophobicContact CD1-CD1 4.18Å; I422-I439 HydrophobicContact CG1-CD1 3.85Å; R436-I439 WeakPolarHBondContact O-CG1 3.46Å; R436-I439 PolarHBondContact O-N 2.84Å; R436-I439 VanDerWaalsContact O-N 3.17Å; H437-I439 PolarHBondContact O-N 2.83Å
440	S	86.8	Confident	88.2	Confident	8 Å²	8	32.4 Å²	32.4	6%	0.056	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-73.6	-175.7	58.2	0	0	0	0	111.8	I202 R436 H437 K444	I202-S440 WeakPolarHBondContact O-CB 3.33Å; R436-S440 PolarHBondContact O-N 2.92Å; R436-S440 VanDerWaalsContact O-N 3.15Å; R436-S440 PolarHBondContact O-OG 3.42Å; H437-S440 PolarHBondContact O-N 2.64Å; S440-K444 WeakPolarHBondContact O-CB 3.46Å; S440-K444 PolarHBondContact O-N 3.04Å
441	V	84	Confident	87.7	Confident	39 Å²	39	35.3 Å²	35.3	24%	0.236	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-46.6	-173.6	179.9	0	0	0	0	112.2	H437 K444 K445	H437-V441 HydrophobicContact CB-CB 4.44Å; H437-V441 PolarHBondContact O-N 2.97Å; V441-K444 PolarHBondContact O-N 3.14Å; V441-K445 HydrophobicContact CG1-CD 4.29Å; V441-K445 WeakPolarHBondContact O-CG 3.35Å; V441-K445 PolarHBondContact O-N 3.27Å; V441-K445 VanDerWaalsContact O-N 3.07Å
442	V	89.8	Confident	87.5	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-69	-47	-176.3	-177.3	0	0	0	0	111.3	M369 I404 H437 K444 K445 L446	M369-V442 HydrophobicContact CE-CG1 4.07Å; M369-V442 HydrophobicContact CG-CG1 4.31Å; M369-V442 HydrophobicContact SD-CG1 3.54Å; M369-V442 VanDerWaalsContact SD-CG1 3.54Å; I404-V442 HydrophobicContact CG2-CB 4.24Å; I404-V442 HydrophobicContact CG2-CG1 3.63Å; H437-V442 HydrophobicContact CB-CG2 4.43Å; H437-V442 WeakPolarHBondContact O-CB 3.38Å; H437-V442 WeakPolarHBondContact O-CG2 3.38Å; H437-V442 PolarHBondContact O-N 3.26Å; V442-K444 VanDerWaalsContact C-N 3.33Å; V442-K444 PolarHBondContact O-N 2.9Å; V442-K445 PolarHBondContact O-N 2.78Å; V442-L446 PolarHBondContact O-N 2.74Å
443	P	92.2	Very high	87.3	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.013	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-43.5	171.3	-30.6	39.4	0	0	0	113.6	A204 L206 I404 A438 K445 L446 L447	A204-P443 HydrophobicContact CB-CB 3.77Å; A204-P443 HydrophobicContact CB-CG 4.37Å; L206-P443 HydrophobicContact CD1-CB 3.84Å; L206-P443 HydrophobicContact CG-CB 4.29Å; I404-P443 HydrophobicContact CG2-CG 4.17Å; A438-P443 WeakPolarHBondContact O-CD 3.46Å; A438-P443 WeakPolarHBondContact O-CG 3.49Å; P443-K445 PolarHBondContact O-N 2.69Å; P443-L446 WeakPolarHBondContact O-CB 3.25Å; P443-L446 PolarHBondContact O-N 2.99Å; P443-L447 WeakPolarHBondContact O-CG 3.2Å; P443-L447 PolarHBondContact O-N 2.81Å
444	K	87.3	Confident	86.9	Confident	106 Å²	106	41.7 Å²	41.7	46%	0.461	20%	0.201	S	C	.	.	H	α-helix	trans	-60.6	-45.4	177.2	-175	176.8	-179.6	178.8	0	112.1	I202 S440 V441 V442 L446 L447 L448	I202-K444 HydrophobicContact CD1-CD 4.25Å; S440-K444 WeakPolarHBondContact O-CB 3.46Å; S440-K444 PolarHBondContact O-N 3.04Å; V441-K444 PolarHBondContact O-N 3.14Å; V442-K444 VanDerWaalsContact C-N 3.33Å; V442-K444 PolarHBondContact O-N 2.9Å; K444-L446 VanDerWaalsContact C-N 3.31Å; K444-L446 PolarHBondContact O-N 3.22Å; K444-L447 PolarHBondContact O-N 2.8Å; K444-L448 HydrophobicContact CG-CD1 4.25Å; K444-L448 WeakPolarHBondContact O-CG 3.31Å; K444-L448 PolarHBondContact O-N 3.34Å
445	K	87.2	Confident	85.8	Confident	125 Å²	125	43.3 Å²	43.3	54%	0.543	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-39.5	176.1	-73.5	176.5	-179.2	174.9	0	112.2	V441 V442 P443 R449	V441-K445 HydrophobicContact CG1-CD 4.29Å; V441-K445 WeakPolarHBondContact O-CG 3.35Å; V441-K445 PolarHBondContact O-N 3.27Å; V441-K445 VanDerWaalsContact O-N 3.07Å; V442-K445 PolarHBondContact O-N 2.78Å; P443-K445 PolarHBondContact O-N 2.69Å; K445-R449 WeakPolarHBondContact O-CB 3.3Å; K445-R449 PolarHBondContact O-N 3.41Å
446	L	92.5	Very high	84.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-47.7	176.1	175.5	65	0	0	0	111.5	L206 D341 I342 M369 I404 V442 P443 K444 R449 A450	L206-L446 HydrophobicContact CD1-CD2 3.85Å; D341-L446 HydrophobicContact CB-CD1 3.87Å; I342-L446 HydrophobicContact CD1-CD2 3.83Å; I342-L446 HydrophobicContact CG1-CD1 4.41Å; I342-L446 HydrophobicContact CG1-CD2 3.63Å; M369-L446 HydrophobicContact CB-CD1 4.32Å; M369-L446 HydrophobicContact CB-CD2 4.29Å; M369-L446 HydrophobicContact CG-CB 4.17Å; M369-L446 HydrophobicContact CG-CD1 3.76Å; M369-L446 HydrophobicContact CG-CD2 4.16Å; M369-L446 HydrophobicContact CG-CG 4.26Å; I404-L446 HydrophobicContact CD1-CD2 4.09Å; V442-L446 PolarHBondContact O-N 2.74Å; P443-L446 WeakPolarHBondContact O-CB 3.25Å; P443-L446 PolarHBondContact O-N 2.99Å; K444-L446 VanDerWaalsContact C-N 3.31Å; K444-L446 PolarHBondContact O-N 3.22Å; L446-R449 WeakPolarHBondContact O-CB 3.48Å; L446-R449 PolarHBondContact O-N 3.32Å; L446-A450 PolarHBondContact O-N 3.37Å
447	L	91.8	Very high	83	Confident	11 Å²	11	57.1 Å²	57.1	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-48.7	179.6	-69.4	169.6	0	0	0	111.6	L206 T234 Y293 L320 P443 K444 R449 A450 E451	L206-L447 HydrophobicContact CD2-CD1 4.22Å; L206-L447 HydrophobicContact CD2-CD2 4.34Å; T234-L447 HydrophobicContact CG2-CD1 3.52Å; Y293-L447 HydrophobicContact CD1-CD2 3.94Å; Y293-L447 HydrophobicContact CD2-CD1 4.36Å; Y293-L447 HydrophobicContact CD2-CD2 3.82Å; Y293-L447 HydrophobicContact CE1-CD2 3.9Å; Y293-L447 HydrophobicContact CE2-CD1 3.76Å; Y293-L447 HydrophobicContact CE2-CD2 3.79Å; Y293-L447 HydrophobicContact CE2-CG 4.37Å; Y293-L447 HydrophobicContact CG-CD2 3.89Å; L320-L447 HydrophobicContact CD1-CD2 3.9Å; L320-L447 HydrophobicContact CD2-CD2 4.2Å; L320-L447 HydrophobicContact CG-CD2 4.37Å; P443-L447 WeakPolarHBondContact O-CG 3.2Å; P443-L447 PolarHBondContact O-N 2.81Å; K444-L447 PolarHBondContact O-N 2.8Å; L447-R449 PolarHBondContact O-N 3.06Å; L447-A450 WeakPolarHBondContact O-CB 3.36Å; L447-A450 PolarHBondContact O-N 2.89Å; L447-E451 WeakPolarHBondContact O-CG 3.31Å; L447-E451 PolarHBondContact O-N 3.08Å
448	L	87.1	Confident	81.4	Confident	96 Å²	96	58.6 Å²	58.6	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-57.8	-39.2	176.2	-70.6	172.6	0	0	0	111.8	K444 S452	K444-L448 HydrophobicContact CG-CD1 4.25Å; K444-L448 WeakPolarHBondContact O-CG 3.31Å; K444-L448 PolarHBondContact O-N 3.34Å; L448-S452 WeakPolarHBondContact O-CB 3.42Å; L448-S452 PolarHBondContact O-N 2.9Å; L448-S452 PolarHBondContact O-OG 2.82Å
449	R	87.5	Confident	79.8	Confident	80 Å²	80	62.9 Å²	62.9	30%	0.302	35%	0.353	S	S	.	.	H	α-helix	trans	-65.3	-44.6	174.3	177.8	-179.4	172.4	132.4	-7.8	111.4	A366 G367 K445 L446 L447 S452 K453	A366-R449 PolarHBondContact O-NH2 3.33Å; G367-R449 PolarHBondContact O-NE 3.29Å; K445-R449 WeakPolarHBondContact O-CB 3.3Å; K445-R449 PolarHBondContact O-N 3.41Å; L446-R449 WeakPolarHBondContact O-CB 3.48Å; L446-R449 PolarHBondContact O-N 3.32Å; L447-R449 PolarHBondContact O-N 3.06Å; R449-S452 PolarHBondContact O-N 2.94Å; R449-S452 PolarHBondContact O-OG 3.03Å; R449-K453 WeakPolarHBondContact O-CG 3.33Å; R449-K453 PolarHBondContact O-N 3.42Å
450	A	88.8	Confident	78.4	Confident	8 Å²	8	71 Å²	71	7%	0.066	40%	0.396	C	S	.	.	H	α-helix	trans	-61.8	-44.7	178.8	0	0	0	0	0	111.4	L320 L446 L447 K453	L320-A450 HydrophobicContact CD2-CB 3.59Å; L446-A450 PolarHBondContact O-N 3.37Å; L447-A450 WeakPolarHBondContact O-CB 3.36Å; L447-A450 PolarHBondContact O-N 2.89Å; A450-K453 WeakPolarHBondContact O-CB 3.26Å; A450-K453 PolarHBondContact O-N 2.71Å
451	E	84	Confident	77.3	Confident	65 Å²	65	75.7 Å²	75.7	30%	0.304	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-46	175	-69.9	175.9	165.9	0	0	111.7	Y293 L447 K453 K454 C455	Y293-E451 PolarHBondContact OH-OE1 2.76Å; L447-E451 WeakPolarHBondContact O-CG 3.31Å; L447-E451 PolarHBondContact O-N 3.08Å; E451-K453 PolarHBondContact O-N 3.33Å; E451-K453 VanDerWaalsContact O-N 3.13Å; E451-K454 WeakPolarHBondContact O-CB 3.19Å; E451-K454 PolarHBondContact O-N 3.19Å; E451-C455 PolarHBondContact O-N 2.82Å; E451-C455 VanDerWaalsContact O-N 3.15Å
452	S	82.2	Confident	76.7	Confident	70 Å²	70	79.3 Å²	79.3	49%	0.49	45%	0.45	S	S	.	.	H	α-helix	trans	-58.7	-29.9	179.9	73.6	0	0	0	0	113.6	L448 R449 K454 C455 A456	L448-S452 WeakPolarHBondContact O-CB 3.42Å; L448-S452 PolarHBondContact O-N 2.9Å; L448-S452 PolarHBondContact O-OG 2.82Å; R449-S452 PolarHBondContact O-N 2.94Å; R449-S452 PolarHBondContact O-OG 3.03Å; S452-K454 VanDerWaalsContact C-N 3.34Å; S452-C455 PolarHBondContact O-N 2.62Å; S452-A456 PolarHBondContact O-N 3.25Å
453	K	78.1	Confident	75.8	Confident	67 Å²	67	82.8 Å²	82.8	29%	0.291	47%	0.468	S	S	.	.	H	α-helix	trans	-69.9	-31.8	176.2	-65.8	171	-165.3	173	0	112.3	Q338 D341 R449 A450 E451	Q338-K453 VanDerWaalsContact O-CE 3.29Å; Q338-K453 WeakPolarHBondContact O-CE 3.34Å; Q338-K453 PolarHBondContact O-NZ 3.15Å; D341-K453 IonicContact OD1-NZ 2.85Å; D341-K453 PolarHBondContact OD1-NZ 3.4Å; R449-K453 WeakPolarHBondContact O-CG 3.33Å; R449-K453 PolarHBondContact O-N 3.42Å; A450-K453 WeakPolarHBondContact O-CB 3.26Å; A450-K453 PolarHBondContact O-N 2.71Å; E451-K453 PolarHBondContact O-N 3.33Å; E451-K453 VanDerWaalsContact O-N 3.13Å
454	K	71.6	Confident	74.9	Confident	116 Å²	116	85.6 Å²	85.6	50%	0.504	49%	0.486	S	S	.	.	H	α-helix	trans	-76.7	-33.8	177.5	-63.5	-173	177.2	-165.7	0	111.3	Y318 D319 E451 S452	Y318-K454 PolarHBondContact O-NZ 3.2Å; Y318-K454 VanDerWaalsContact O-NZ 3.13Å; D319-K454 IonicContact OD1-NZ 2.9Å; D319-K454 PolarHBondContact OD1-NZ 3.1Å; E451-K454 WeakPolarHBondContact O-CB 3.19Å; E451-K454 PolarHBondContact O-N 3.19Å; S452-K454 VanDerWaalsContact C-N 3.34Å
455	C	65.4	Low	74.3	Confident	78 Å²	78	83.3 Å²	83.3	53%	0.527	48%	0.481	S	S	.	.	S	Bend	trans	-88	4.4	-176.1	-60.5	0	0	0	0	115	E451 S452 Q457 G458	E451-C455 PolarHBondContact O-N 2.82Å; E451-C455 VanDerWaalsContact O-N 3.15Å; S452-C455 PolarHBondContact O-N 2.62Å; C455-Q457 PolarHBondContact O-N 3Å; C455-G458 CarbonylContact O-C 3.53Å; C455-G458 PolarHBondContact O-N 3.2Å
456	A	59	Low	73.6	Confident	84 Å²	84	83.9 Å²	83.9	69%	0.694	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	8.6	-168	0	0	0	0	0	117.3	S452 G458	S452-A456 PolarHBondContact O-N 3.25Å; A456-G458 VanDerWaalsContact C-N 3.3Å
457	Q	56.5	Low	72.9	Confident	211 Å²	211	89.6 Å²	89.6	99%	0.986	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.3	162.1	-67.3	-167.9	-14.7	0	0	112.3	C455	C455-Q457 PolarHBondContact O-N 3Å
458	G	55.2	Low	72.1	Confident	55 Å²	55	90.5 Å²	90.5	57%	0.567	52%	0.522	S	S	*	.			trans	174.6	142.4	173.4	0	0	0	0	0	111.2	C455 A456	C455-G458 CarbonylContact O-C 3.53Å; C455-G458 PolarHBondContact O-N 3.2Å; A456-G458 VanDerWaalsContact C-N 3.3Å
459	A	58.7	Low	71.8	Confident	93 Å²	93	89.3 Å²	89.3	77%	0.769	52%	0.52	S	S	*	.			trans	-102.7	120.3	167.5	0	0	0	0	0	108
460	L	61.1	Low	71.4	Confident	172 Å²	172	95.6 Å²	95.6	90%	0.901	54%	0.543	S	S	*	.			trans	-89.3	116.9	166.4	-172	83.5	0	0	0	107.4
461	V	62.6	Low	71	Confident	106 Å²	106	101.7 Å²	101.7	64%	0.642	57%	0.57	S	S	*	*			trans	-112.4	112.8	170.6	172.6	0	0	0	0	106.2	I463	V461-I463 HydrophobicContact CG1-CD1 3.44Å; V461-I463 VanDerWaalsContact CG1-CD1 3.44Å; V461-I463 HydrophobicContact CG1-CG1 3.6Å
462	S	72.3	Confident	70.9	Confident	115 Å²	115	101.5 Å²	101.5	80%	0.804	57%	0.571	S	S	*	*			trans	-96.2	111.9	174.1	-172.3	0	0	0	0	108.2
463	I	71.3	Confident	70.9	Confident	77 Å²	77	100.3 Å²	100.3	40%	0.395	56%	0.559	S	S	.	*			trans	-123.8	128.6	176.5	-63.5	163.2	0	0	0	106.4	V461 V465 Q467 L468	V461-I463 HydrophobicContact CG1-CD1 3.44Å; V461-I463 VanDerWaalsContact CG1-CD1 3.44Å; V461-I463 HydrophobicContact CG1-CG1 3.6Å; I463-V465 PolarHBondContact O-N 3.34Å; I463-Q467 HydrophobicContact CG2-CB 3.78Å; I463-L468 HydrophobicContact CB-CD2 4.39Å; I463-L468 HydrophobicContact CB-CG 4.5Å; I463-L468 HydrophobicContact CD1-CD2 4.2Å; I463-L468 HydrophobicContact CG2-CD2 4.19Å; I463-L468 HydrophobicContact CG2-CG 4.08Å
464	P	73.1	Confident	71.2	Confident	62 Å²	62	103.5 Å²	103.5	40%	0.403	58%	0.575	S	S	.	*			trans	-53.2	134.7	169.9	-26.8	36.8	0	0	0	110.8	D466 Q467	P464-D466 WeakPolarHBondContact CB-OD1 3.34Å; P464-D466 PolarHBondContact O-N 3.35Å; P464-D466 VanDerWaalsContact O-N 3.14Å; P464-Q467 HydrophobicContact CB-CG 4.14Å; P464-Q467 HydrophobicContact CG-CG 4.48Å; P464-Q467 WeakPolarHBondContact O-CB 3.34Å; P464-Q467 PolarHBondContact O-N 3.3Å
465	V	73.4	Confident	71.7	Confident	58 Å²	58	103.7 Å²	103.7	35%	0.352	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-60	-31.2	-171.1	177.3	0	0	0	0	112.3	I463 Q467 L468 I473 M486	I463-V465 PolarHBondContact O-N 3.34Å; V465-Q467 PolarHBondContact O-N 3.18Å; V465-L468 PolarHBondContact O-N 3.4Å; V465-I473 HydrophobicContact CG1-CD1 4.48Å; V465-M486 HydrophobicContact CG1-CE 3.88Å; V465-M486 HydrophobicContact CG1-SD 3.88Å; V465-M486 HydrophobicContact CG2-SD 4.08Å
466	D	74.5	Confident	72.5	Confident	137 Å²	137	102.9 Å²	102.9	73%	0.733	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-65.1	-19.6	174.9	61	-51	0	0	0	113.9	P464	P464-D466 WeakPolarHBondContact CB-OD1 3.34Å; P464-D466 PolarHBondContact O-N 3.35Å; P464-D466 VanDerWaalsContact O-N 3.14Å
467	Q	76.1	Confident	73.7	Confident	121 Å²	121	101.4 Å²	101.4	57%	0.565	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-93.6	-7.2	177.3	-61.3	-179.7	12.3	0	0	113.3	I463 P464 V465	I463-Q467 HydrophobicContact CG2-CB 3.78Å; P464-Q467 HydrophobicContact CB-CG 4.14Å; P464-Q467 HydrophobicContact CG-CG 4.48Å; P464-Q467 WeakPolarHBondContact O-CB 3.34Å; P464-Q467 PolarHBondContact O-N 3.3Å; V465-Q467 PolarHBondContact O-N 3.18Å
468	L	76.5	Confident	75.2	Confident	30 Å²	30	99.2 Å²	99.2	16%	0.157	54%	0.54	C	S	.	.	S	Bend	trans	-77.3	133.7	177.8	-75.6	166	0	0	0	110.8	I463 V465 I473 L476	I463-L468 HydrophobicContact CB-CD2 4.39Å; I463-L468 HydrophobicContact CB-CG 4.5Å; I463-L468 HydrophobicContact CD1-CD2 4.2Å; I463-L468 HydrophobicContact CG2-CD2 4.19Å; I463-L468 HydrophobicContact CG2-CG 4.08Å; V465-L468 PolarHBondContact O-N 3.4Å; L468-I473 HydrophobicContact CB-CD1 4.09Å; L468-I473 HydrophobicContact CB-CG1 3.64Å; L468-I473 HydrophobicContact CD1-CG1 4.49Å; L468-L476 HydrophobicContact CD1-CD1 3.79Å
469	P	79.5	Confident	76.5	Confident	71 Å²	71	99.4 Å²	99.4	46%	0.461	53%	0.531	S	S	.	.			trans	-55.8	142.2	169.4	-22	32.3	0	0	0	110.7	E471 D472 I473	P469-E471 PolarHBondContact O-N 3.45Å; P469-E471 VanDerWaalsContact O-N 3.13Å; P469-D472 PolarHBondContact O-N 3.29Å; P469-I473 PolarHBondContact O-N 3.29Å
470	R	79.6	Confident	77.7	Confident	211 Å²	211	99.4 Å²	99.4	80%	0.796	52%	0.523	S	S	*	.	H	α-helix	trans	-52.2	-39.4	179.1	-74.1	-174.4	179.2	-174.4	0.1	112.8	D472 I473 E474	R470-D472 VanDerWaalsContact C-N 3.26Å; R470-D472 PolarHBondContact O-N 3.09Å; R470-I473 PolarHBondContact O-N 2.8Å; R470-E474 WeakPolarHBondContact O-CG 3.45Å; R470-E474 PolarHBondContact O-N 2.7Å
471	E	79.8	Confident	78.5	Confident	137 Å²	137	97.7 Å²	97.7	64%	0.64	51%	0.51	S	S	*	.	H	α-helix	trans	-59.7	-34.6	177.3	-63.9	175.9	-166.2	0	0	112.9	P469 K475	P469-E471 PolarHBondContact O-N 3.45Å; P469-E471 VanDerWaalsContact O-N 3.13Å; E471-K475 WeakPolarHBondContact O-CG 3.49Å; E471-K475 PolarHBondContact O-N 2.86Å
472	D	81.6	Confident	79.4	Confident	60 Å²	60	94.5 Å²	94.5	32%	0.321	49%	0.488	S	S	.	.	H	α-helix	trans	-82.9	-33.1	178.9	-67.3	-26	0	0	0	111.2	P469 R470 E474 K475 L476	P469-D472 PolarHBondContact O-N 3.29Å; R470-D472 VanDerWaalsContact C-N 3.26Å; R470-D472 PolarHBondContact O-N 3.09Å; D472-E474 VanDerWaalsContact C-N 3.3Å; D472-E474 PolarHBondContact O-N 3.32Å; D472-K475 PolarHBondContact O-N 3.21Å; D472-K475 IonicContact OD1-NZ 3.54Å; D472-K475 PolarHBondContact OD1-NZ 3.34Å; D472-L476 VanDerWaalsContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CB 3.38Å; D472-L476 WeakPolarHBondContact O-CG 3.32Å; D472-L476 PolarHBondContact O-N 2.89Å
473	I	82.7	Confident	80	Confident	46 Å²	46	95.5 Å²	95.5	24%	0.236	48%	0.477	C	S	.	.	H	α-helix	trans	-61.2	-41.3	169.7	-61.2	176	0	0	0	110.5	V465 L468 P469 R470 L476 S477	V465-I473 HydrophobicContact CG1-CD1 4.48Å; L468-I473 HydrophobicContact CB-CD1 4.09Å; L468-I473 HydrophobicContact CB-CG1 3.64Å; L468-I473 HydrophobicContact CD1-CG1 4.49Å; P469-I473 PolarHBondContact O-N 3.29Å; R470-I473 PolarHBondContact O-N 2.8Å; I473-L476 PolarHBondContact O-N 3.06Å; I473-S477 VanDerWaalsContact O-CB 3.32Å; I473-S477 WeakPolarHBondContact O-CB 3.38Å; I473-S477 PolarHBondContact O-N 3.15Å; I473-S477 PolarHBondContact O-OG 2.97Å
474	E	84.2	Confident	80.4	Confident	134 Å²	134	94.1 Å²	94.1	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-61.8	-47.3	176.4	-76.4	174.1	-173.6	0	0	111.5	R470 D472 S477	R470-E474 WeakPolarHBondContact O-CG 3.45Å; R470-E474 PolarHBondContact O-N 2.7Å; D472-E474 VanDerWaalsContact C-N 3.3Å; D472-E474 PolarHBondContact O-N 3.32Å; E474-S477 WeakPolarHBondContact O-CB 3.47Å; E474-S477 PolarHBondContact O-N 3.26Å
475	K	81.8	Confident	80.6	Confident	119 Å²	119	98 Å²	98	52%	0.517	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-43.6	174.5	-68.7	170.3	-161.2	151.1	0	112.3	E471 D472 S477 E478	E471-K475 WeakPolarHBondContact O-CG 3.49Å; E471-K475 PolarHBondContact O-N 2.86Å; D472-K475 PolarHBondContact O-N 3.21Å; D472-K475 IonicContact OD1-NZ 3.54Å; D472-K475 PolarHBondContact OD1-NZ 3.34Å; K475-S477 PolarHBondContact O-N 2.91Å; K475-E478 WeakPolarHBondContact O-CB 3.45Å; K475-E478 PolarHBondContact O-N 3.05Å
476	L	82.1	Confident	80.9	Confident	61 Å²	61	97.5 Å²	97.5	32%	0.319	49%	0.485	S	S	.	.	H	α-helix	trans	-67	-28.8	178	-72.6	168.8	0	0	0	111.6	L468 D472 I473 E478 V479 F482	L468-L476 HydrophobicContact CD1-CD1 3.79Å; D472-L476 VanDerWaalsContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CB 3.38Å; D472-L476 WeakPolarHBondContact O-CG 3.32Å; D472-L476 PolarHBondContact O-N 2.89Å; I473-L476 PolarHBondContact O-N 3.06Å; L476-E478 PolarHBondContact O-N 3.06Å; L476-V479 VanDerWaalsContact O-CB 3.25Å; L476-V479 WeakPolarHBondContact O-CB 3.36Å; L476-V479 PolarHBondContact O-N 2.8Å; L476-F482 VanDerWaalsContact C-CD1 3.43Å; L476-F482 HydrophobicContact CB-CD1 3.69Å; L476-F482 HydrophobicContact CB-CD2 4.11Å; L476-F482 HydrophobicContact CB-CE1 3.71Å; L476-F482 HydrophobicContact CB-CE2 4.14Å; L476-F482 HydrophobicContact CB-CG 3.89Å; L476-F482 HydrophobicContact CB-CZ 3.95Å; L476-F482 HydrophobicContact CD1-CE2 4.1Å; L476-F482 HydrophobicContact CD1-CZ 4.26Å; L476-F482 WeakPolarHBondContact O-CB 3.45Å; L476-F482 VanDerWaalsContact O-CD1 3.25Å; L476-F482 WeakPolarHBondContact O-CD1 3.39Å
477	S	85.6	Confident	81.2	Confident	54 Å²	54	94.4 Å²	94.4	38%	0.378	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.7	175.3	-61.3	0	0	0	0	113.4	I473 E474 K475 V479	I473-S477 VanDerWaalsContact O-CB 3.32Å; I473-S477 WeakPolarHBondContact O-CB 3.38Å; I473-S477 PolarHBondContact O-N 3.15Å; I473-S477 PolarHBondContact O-OG 2.97Å; E474-S477 WeakPolarHBondContact O-CB 3.47Å; E474-S477 PolarHBondContact O-N 3.26Å; K475-S477 PolarHBondContact O-N 2.91Å; S477-V479 VanDerWaalsContact C-N 3.29Å
478	E	86.8	Confident	81.2	Confident	164 Å²	164	93.7 Å²	93.7	77%	0.766	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-19.2	169	-56.9	-173.5	163.8	0	0	112.3	K475 L476 P480	K475-E478 WeakPolarHBondContact O-CB 3.45Å; K475-E478 PolarHBondContact O-N 3.05Å; L476-E478 PolarHBondContact O-N 3.06Å; E478-P480 WeakPolarHBondContact O-CD 3.43Å
479	V	83.4	Confident	80.9	Confident	60 Å²	60	94.7 Å²	94.7	36%	0.364	49%	0.486	S	S	.	.	S	Bend	trans	-81	116.4	177.5	-175.4	0	0	0	0	109	L476 S477 E481 F482 K483	L476-V479 VanDerWaalsContact O-CB 3.25Å; L476-V479 WeakPolarHBondContact O-CB 3.36Å; L476-V479 PolarHBondContact O-N 2.8Å; S477-V479 VanDerWaalsContact C-N 3.29Å; V479-E481 VanDerWaalsContact C-N 3.27Å; V479-E481 VanDerWaalsContact CG1-OE2 3.27Å; V479-E481 WeakPolarHBondContact CG1-OE2 3.5Å; V479-E481 PolarHBondContact O-N 2.85Å; V479-F482 HydrophobicContact CB-CB 4.14Å; V479-F482 HydrophobicContact CG1-CB 4.5Å; V479-F482 PolarHBondContact O-N 2.88Å; V479-K483 PolarHBondContact O-N 3.49Å
480	P	83.3	Confident	80.2	Confident	93 Å²	93	98.9 Å²	98.9	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-55.1	-39.6	-174.1	-27	34.9	0	0	0	114.1	E478 K483 A484	E478-P480 WeakPolarHBondContact O-CD 3.43Å; P480-K483 PolarHBondContact O-N 3.12Å; P480-A484 PolarHBondContact O-N 3.32Å
481	E	78.1	Confident	79.3	Confident	135 Å²	135	92.5 Å²	92.5	63%	0.631	49%	0.485	S	S	*	.	H	α-helix	trans	-66.1	-45.6	-179.3	-62.5	83.3	173.9	0	0	111.6	V479 K483 A484 E485	V479-E481 VanDerWaalsContact C-N 3.27Å; V479-E481 VanDerWaalsContact CG1-OE2 3.27Å; V479-E481 WeakPolarHBondContact CG1-OE2 3.5Å; V479-E481 PolarHBondContact O-N 2.85Å; E481-K483 VanDerWaalsContact C-N 3.33Å; E481-K483 PolarHBondContact O-N 2.73Å; E481-A484 PolarHBondContact O-N 3.49Å; E481-E485 PolarHBondContact O-N 3.16Å
482	F	82.5	Confident	78.1	Confident	39 Å²	39	92.8 Å²	92.8	17%	0.171	49%	0.491	C	S	.	.	H	α-helix	trans	-63.6	-41.1	176.7	-179.2	-93	0	0	0	111.2	L476 V479 A484 E485 M486	L476-F482 VanDerWaalsContact C-CD1 3.43Å; L476-F482 HydrophobicContact CB-CD1 3.69Å; L476-F482 HydrophobicContact CB-CD2 4.11Å; L476-F482 HydrophobicContact CB-CE1 3.71Å; L476-F482 HydrophobicContact CB-CE2 4.14Å; L476-F482 HydrophobicContact CB-CG 3.89Å; L476-F482 HydrophobicContact CB-CZ 3.95Å; L476-F482 HydrophobicContact CD1-CE2 4.1Å; L476-F482 HydrophobicContact CD1-CZ 4.26Å; L476-F482 WeakPolarHBondContact O-CB 3.45Å; L476-F482 VanDerWaalsContact O-CD1 3.25Å; L476-F482 WeakPolarHBondContact O-CD1 3.39Å; V479-F482 HydrophobicContact CB-CB 4.14Å; V479-F482 HydrophobicContact CG1-CB 4.5Å; V479-F482 PolarHBondContact O-N 2.88Å; F482-A484 VanDerWaalsContact C-N 3.35Å; F482-A484 PolarHBondContact O-N 3.2Å; F482-E485 PolarHBondContact O-N 2.85Å; F482-M486 HydrophobicContact CD1-CG 3.91Å; F482-M486 HydrophobicContact CE1-CG 3.51Å; F482-M486 HydrophobicContact CE1-SD 4.42Å; F482-M486 HydrophobicContact CE2-CG 4.22Å; F482-M486 HydrophobicContact CG-CG 4.43Å; F482-M486 HydrophobicContact CZ-CG 3.69Å; F482-M486 HydrophobicContact CZ-SD 4.05Å; F482-M486 WeakPolarHBondContact O-CB 3.4Å; F482-M486 WeakPolarHBondContact O-CG 3.46Å; F482-M486 PolarHBondContact O-N 2.85Å
483	K	83	Confident	76.4	Confident	136 Å²	136	99.6 Å²	99.6	59%	0.591	53%	0.527	S	S	*	.	H	α-helix	trans	-62.9	-40.5	177	-172.3	176.8	-179.9	176.9	0	112.3	V479 P480 E481 S487	V479-K483 PolarHBondContact O-N 3.49Å; P480-K483 PolarHBondContact O-N 3.12Å; E481-K483 VanDerWaalsContact C-N 3.33Å; E481-K483 PolarHBondContact O-N 2.73Å; K483-S487 WeakPolarHBondContact O-CB 3.29Å; K483-S487 PolarHBondContact O-N 3.47Å; K483-S487 PolarHBondContact O-OG 3.25Å
484	A	81.4	Confident	76.1	Confident	48 Å²	48	102.3 Å²	102.3	40%	0.397	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-49.2	176.6	0	0	0	0	0	111.4	P480 E481 F482 M486 S487 L488	P480-A484 PolarHBondContact O-N 3.32Å; E481-A484 PolarHBondContact O-N 3.49Å; F482-A484 VanDerWaalsContact C-N 3.35Å; F482-A484 PolarHBondContact O-N 3.2Å; A484-M486 PolarHBondContact O-N 3.01Å; A484-S487 PolarHBondContact O-N 2.91Å; A484-S487 PolarHBondContact O-OG 3.24Å; A484-L488 PolarHBondContact O-N 3.44Å
485	E	77.3	Confident	75.6	Confident	143 Å²	143	100.6 Å²	100.6	67%	0.668	54%	0.537	S	S	*	.	H	α-helix	trans	-57.5	-48	175.6	-79.8	-97.6	155	0	0	112.1	E481 F482 S487 L488 A489	E481-E485 PolarHBondContact O-N 3.16Å; F482-E485 PolarHBondContact O-N 2.85Å; E485-S487 VanDerWaalsContact C-N 3.28Å; E485-S487 PolarHBondContact O-N 3.45Å; E485-L488 WeakPolarHBondContact O-CB 3.14Å; E485-L488 PolarHBondContact O-N 2.73Å; E485-A489 PolarHBondContact O-N 2.93Å
486	M	80	Confident	75.3	Confident	48 Å²	48	99.6 Å²	99.6	24%	0.236	54%	0.538	C	S	.	.	H	α-helix	trans	-63.6	-31.9	178	-75.1	-59.4	-61.8	0	0	113.1	V465 F482 A484 K490	V465-M486 HydrophobicContact CG1-CE 3.88Å; V465-M486 HydrophobicContact CG1-SD 3.88Å; V465-M486 HydrophobicContact CG2-SD 4.08Å; F482-M486 HydrophobicContact CD1-CG 3.91Å; F482-M486 HydrophobicContact CE1-CG 3.51Å; F482-M486 HydrophobicContact CE1-SD 4.42Å; F482-M486 HydrophobicContact CE2-CG 4.22Å; F482-M486 HydrophobicContact CG-CG 4.43Å; F482-M486 HydrophobicContact CZ-CG 3.69Å; F482-M486 HydrophobicContact CZ-SD 4.05Å; F482-M486 WeakPolarHBondContact O-CB 3.4Å; F482-M486 WeakPolarHBondContact O-CG 3.46Å; F482-M486 PolarHBondContact O-N 2.85Å; A484-M486 PolarHBondContact O-N 3.01Å; M486-K490 WeakPolarHBondContact O-CG 3.39Å; M486-K490 PolarHBondContact O-N 2.8Å
487	S	80.1	Confident	74.9	Confident	73 Å²	73	101.8 Å²	101.8	51%	0.51	55%	0.551	S	S	.	*	H	α-helix	trans	-72.3	-35.1	175.7	70.7	0	0	0	0	112.7	K483 A484 E485 S491	K483-S487 WeakPolarHBondContact O-CB 3.29Å; K483-S487 PolarHBondContact O-N 3.47Å; K483-S487 PolarHBondContact O-OG 3.25Å; A484-S487 PolarHBondContact O-N 2.91Å; A484-S487 PolarHBondContact O-OG 3.24Å; E485-S487 VanDerWaalsContact C-N 3.28Å; E485-S487 PolarHBondContact O-N 3.45Å; S487-S491 PolarHBondContact O-N 3.26Å
488	L	76	Confident	74.2	Confident	105 Å²	105	104.8 Å²	104.8	55%	0.55	56%	0.562	S	S	.	*	H	α-helix	trans	-67.9	-44.9	173	-85.8	150.1	0	0	0	111.2	A484 E485 K490 S491 N492	A484-L488 PolarHBondContact O-N 3.44Å; E485-L488 WeakPolarHBondContact O-CB 3.14Å; E485-L488 PolarHBondContact O-N 2.73Å; L488-K490 VanDerWaalsContact C-N 3.34Å; L488-K490 PolarHBondContact O-N 2.97Å; L488-S491 PolarHBondContact O-N 2.86Å; L488-S491 PolarHBondContact O-OG 2.76Å; L488-N492 PolarHBondContact O-N 3.26Å
489	A	69	Low	73.4	Confident	51 Å²	51	100.9 Å²	100.9	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-58	-45.7	177.3	0	0	0	0	0	111.6	E485 S491 N492	E485-A489 PolarHBondContact O-N 2.93Å; A489-S491 PolarHBondContact O-N 2.69Å; A489-N492 PolarHBondContact O-N 3.09Å
490	K	65.6	Low	72.7	Confident	159 Å²	159	103.8 Å²	103.8	69%	0.691	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-14.4	176.1	-75.3	-178.5	179.9	-178.2	0	115.2	M486 L488	M486-K490 WeakPolarHBondContact O-CG 3.39Å; M486-K490 PolarHBondContact O-N 2.8Å; L488-K490 VanDerWaalsContact C-N 3.34Å; L488-K490 PolarHBondContact O-N 2.97Å
491	S	60.2	Low	71.9	Confident	78 Å²	78	104.6 Å²	104.6	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-92.2	-13.7	178	70.4	0	0	0	0	113.6	S487 L488 A489	S487-S491 PolarHBondContact O-N 3.26Å; L488-S491 PolarHBondContact O-N 2.86Å; L488-S491 PolarHBondContact O-OG 2.76Å; A489-S491 PolarHBondContact O-N 2.69Å
492	N	54.5	Low	71.3	Confident	142 Å²	142	102.1 Å²	102.1	76%	0.759	55%	0.552	S	S	*	*	H	α-helix	trans	-99.9	-10.2	179.5	-79.5	-18.1	0	0	0	113.6	L488 A489	L488-N492 PolarHBondContact O-N 3.26Å; A489-N492 PolarHBondContact O-N 3.09Å
493	D	46.3	Very low	70.3	Confident	203 Å²	203	107.8 Å²	107.8	100%	1.086	59%	0.587	S	S	*	*			trans	-90.8	0	164.4	-70.6	-26.3	0	0	0	109.8

Retrieved 493 of 493 residues in 1127 ms (Link to these results)

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