A0A2K6BX42_MACNE Loading...

FAD synthase

Catalyzes the adenylation of flavin mononucleotide (FMN) to form flavin adenine dinucleotide (FAD) coenzyme.

AlphaFold DB , UniProt , Accession A0A2K6BX42, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene FLAD1, Length 490 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	35	Very low	34.5	Very low	248 Å²	248	141.5 Å²	141.5	100%	1.222	83%	0.829	S	S	*	*				0	106.7	0	-72.1	-179.5	-168.1	0	0	106.8
2	T	26.4	Very low	36.4	Very low	143 Å²	143	145.9 Å²	145.9	88%	0.877	82%	0.821	S	S	*	*			trans	-69.8	130.4	-169.1	23.4	0	0	0	0	111.2	R4	T2-R4 PolarHBondContact O-N 3.01Å
3	S	29.1	Very low	39.7	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	79%	0.788	S	S	*	*			trans	-48.6	119	173.2	171.2	0	0	0	0	111	A5	S3-A5 PolarHBondContact O-N 3.04Å; S3-A5 VanDerWaalsContact O-N 3.12Å
4	R	29.5	Very low	43.6	Very low	242 Å²	242	129.6 Å²	129.6	91%	0.913	74%	0.735	S	S	*	*			trans	-73.2	97.3	162.7	-83.1	-178.4	172.5	-179.8	-3.4	107.1	T2 S6	T2-R4 PolarHBondContact O-N 3.01Å; R4-S6 PolarHBondContact O-N 3.06Å
5	A	33.6	Very low	47.1	Very low	82 Å²	82	122.3 Å²	122.3	68%	0.678	69%	0.694	S	S	*	*			trans	-50.8	120.5	151.3	0	0	0	0	0	106.7	S3 E7	S3-A5 PolarHBondContact O-N 3.04Å; S3-A5 VanDerWaalsContact O-N 3.12Å; A5-E7 VanDerWaalsContact C-N 3.32Å; A5-E7 PolarHBondContact O-N 3.25Å
6	S	35.3	Very low	50.3	Low	108 Å²	108	114.7 Å²	114.7	76%	0.755	65%	0.651	S	S	*	*			trans	-65	98.7	172.5	56.4	0	0	0	0	107.3	R4 L8	R4-S6 PolarHBondContact O-N 3.06Å; S6-L8 PolarHBondContact O-N 3.46Å
7	E	33	Very low	53.2	Low	190 Å²	190	107.9 Å²	107.9	89%	0.888	61%	0.613	S	S	*	*			trans	-53.8	109.5	168.8	-74.9	175.5	163.8	0	0	107.8	A5 S9	A5-E7 VanDerWaalsContact C-N 3.32Å; A5-E7 PolarHBondContact O-N 3.25Å; E7-S9 PolarHBondContact O-N 3.13Å
8	L	41.6	Very low	55.7	Low	124 Å²	124	101.9 Å²	101.9	65%	0.649	58%	0.579	S	S	*	*			trans	-58.5	125.8	172.6	-79.4	155.6	0	0	0	107.4	S6	S6-L8 PolarHBondContact O-N 3.46Å
9	S	35.3	Very low	58	Low	84 Å²	84	96.6 Å²	96.6	59%	0.587	55%	0.548	S	S	*	.			trans	-58.6	130.3	177.1	-28	0	0	0	0	108.7	E7 G11 R12	E7-S9 PolarHBondContact O-N 3.13Å; S9-G11 PolarHBondContact O-N 3.06Å; S9-R12 PolarHBondContact O-N 2.98Å
10	P	34.5	Very low	60	Low	138 Å²	138	91.9 Å²	91.9	90%	0.896	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	113.6	177.1	20.7	-26	0	0	0	108.6
11	G	46.6	Very low	61.8	Low	83 Å²	83	87.6 Å²	87.6	86%	0.856	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.6	1.4	176.5	0	0	0	0	0	117.3	S9	S9-G11 PolarHBondContact O-N 3.06Å
12	R	56.4	Low	64.8	Low	195 Å²	195	75.9 Å²	75.9	74%	0.736	44%	0.44	S	S	*	.			trans	-92.4	112.4	174	-158.9	172.3	-178.4	163.7	-1.6	110.6	S9 V14	S9-R12 PolarHBondContact O-N 2.98Å; R12-V14 PolarHBondContact O-N 3.44Å
13	S	79.8	Confident	68.1	Low	55 Å²	55	71.6 Å²	71.6	39%	0.385	41%	0.412	S	S	.	.			trans	-52.4	120.9	172	56.2	0	0	0	0	110.2	T15	S13-T15 PolarHBondContact O-N 3.22Å
14	V	93.8	Very high	71.2	Confident	9 Å²	9	69.9 Å²	69.9	6%	0.055	39%	0.391	C	S	.	.			trans	-74	121	174.3	178.9	0	0	0	0	108.1	R12 V47 Q48 T74 N177	R12-V14 PolarHBondContact O-N 3.44Å; V14-V47 HydrophobicContact CB-CG2 4.39Å; V14-V47 HydrophobicContact CG1-CB 4.44Å; V14-V47 HydrophobicContact CG1-CG1 4.11Å; V14-V47 HydrophobicContact CG1-CG2 3.8Å; V14-Q48 PolarHBondContact O-N 3.29Å; V14-T74 HydrophobicContact CG1-CG2 4.02Å; V14-N177 HydrophobicContact CB-CB 4.11Å; V14-N177 HydrophobicContact CG2-CB 3.9Å
15	T	96.9	Very high	74.4	Confident	20 Å²	20	59.8 Å²	59.8	12%	0.123	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.2	-175.4	56.9	0	0	0	0	111.6	S13 Q48 C50 F73 T74 H75	S13-T15 PolarHBondContact O-N 3.22Å; T15-Q48 CarbonylContact C-O 3.58Å; T15-Q48 VanDerWaalsContact CA-O 3.25Å; T15-Q48 WeakPolarHBondContact CA-O 3.38Å; T15-C50 VanDerWaalsContact CG2-SG 3.51Å; T15-F73 WeakPolarHBondContact OG1-CA 3.37Å; T15-T74 PolarHBondContact N-OG1 2.88Å; T15-T74 WeakPolarHBondContact O-CA 3.44Å; T15-T74 VanDerWaalsContact O-CB 3.25Å; T15-T74 WeakPolarHBondContact O-CB 3.49Å; T15-T74 PolarHBondContact O-N 2.91Å; T15-T74 PolarHBondContact OG1-N 2.82Å; T15-T74 VanDerWaalsContact OG1-N 3.14Å; T15-T74 PolarHBondContact OG1-OG1 3.29Å; T15-H75 PolarHBondContact O-N 3.1Å
16	A	98.4	Very high	77.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.7	174.2	0	0	0	0	0	112.2	L42 V47 Q48 V49 C50 H75 L77	A16-L42 HydrophobicContact CB-CD1 3.81Å; A16-V47 HydrophobicContact CB-CG1 3.65Å; A16-Q48 PolarHBondContact N-O 3.46Å; A16-V49 HydrophobicContact CB-CG2 4.25Å; A16-V49 WeakPolarHBondContact O-CA 3.2Å; A16-C50 PolarHBondContact O-N 3.17Å; A16-H75 CarbonylContact C-O 3.41Å; A16-H75 VanDerWaalsContact CA-O 3.25Å; A16-H75 WeakPolarHBondContact CA-O 3.44Å; A16-H75 HydrophobicContact CB-CB 4.49Å; A16-L77 HydrophobicContact CB-CD1 4.29Å
17	G	98.6	Very high	80.3	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.5	162.4	0	0	0	0	0	110.2	R51 H75 V76 L77	G17-R51 WeakPolarHBondContact CA-O 3.41Å; G17-H75 PolarHBondContact N-O 3.46Å; G17-V76 CarbonylContact O-C 3.6Å; G17-V76 VanDerWaalsContact O-CA 3.3Å; G17-V76 WeakPolarHBondContact O-CA 3.3Å; G17-L77 PolarHBondContact O-N 3.5Å
18	I	98.8	Very high	83.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.8	178.5	-59.4	168.5	0	0	0	109.1	I20 L38 L42 V49 R51 V52 S53 F69 L77	I18-I20 HydrophobicContact CG2-CD1 3.68Å; I18-I20 HydrophobicContact CG2-CG1 4.25Å; I18-L38 HydrophobicContact CD1-CB 3.59Å; I18-L38 HydrophobicContact CD1-CD1 4.2Å; I18-L38 HydrophobicContact CG1-CD1 4.47Å; I18-L38 HydrophobicContact CG2-CD1 3.74Å; I18-L42 HydrophobicContact CD1-CD1 4.42Å; I18-V49 HydrophobicContact CD1-CG1 3.83Å; I18-V49 HydrophobicContact CD1-CG2 4.09Å; I18-V49 HydrophobicContact CG1-CG1 4.25Å; I18-R51 PolarHBondContact N-O 3.16Å; I18-V52 HydrophobicContact CB-CG1 4.22Å; I18-V52 HydrophobicContact CB-CG2 4.21Å; I18-V52 HydrophobicContact CD1-CG2 4.31Å; I18-V52 HydrophobicContact CG2-CG1 4.24Å; I18-V52 CarbonylContact O-C 3.48Å; I18-V52 VanDerWaalsContact O-CA 3.3Å; I18-V52 WeakPolarHBondContact O-CA 3.49Å; I18-S53 PolarHBondContact O-N 2.82Å; I18-F69 WeakPolarHBondContact O-CE1 3.19Å; I18-L77 CarbonylContact C-O 3.59Å; I18-L77 WeakPolarHBondContact CA-O 3.32Å
19	I	98.8	Very high	85.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109.8	174.4	-56.8	172.6	0	0	0	107.7	V21 S53 V55 E65 V66 F69 V76 L77 T78 A79	I19-V21 HydrophobicContact CG2-CG2 4.03Å; I19-S53 CarbonylContact C-O 3.06Å; I19-S53 WeakPolarHBondContact CA-O 3.45Å; I19-V55 HydrophobicContact CG2-CG1 4.5Å; I19-V55 HydrophobicContact CG2-CG2 3.68Å; I19-E65 HydrophobicContact CD1-CB 4.2Å; I19-E65 HydrophobicContact CD1-CG 3.96Å; I19-E65 HydrophobicContact CG1-CG 4.17Å; I19-V66 HydrophobicContact CD1-CB 4.48Å; I19-V66 HydrophobicContact CD1-CG2 3.81Å; I19-F69 HydrophobicContact CD1-CB 4.16Å; I19-F69 HydrophobicContact CD1-CD1 4.01Å; I19-F69 HydrophobicContact CD1-CG 3.99Å; I19-F69 HydrophobicContact CG1-CD1 3.7Å; I19-F69 HydrophobicContact CG1-CE1 3.9Å; I19-F69 HydrophobicContact CG1-CG 4.17Å; I19-V76 HydrophobicContact CD1-CG1 3.88Å; I19-V76 HydrophobicContact CG1-CG1 4.33Å; I19-L77 PolarHBondContact N-O 3.5Å; I19-T78 HydrophobicContact CB-CG2 4.22Å; I19-T78 HydrophobicContact CD1-CG2 4.5Å; I19-T78 CarbonylContact O-C 3.52Å; I19-T78 WeakPolarHBondContact O-CA 3.46Å; I19-A79 PolarHBondContact O-N 2.93Å
20	I	98.6	Very high	88.6	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.4	171.4	-52.8	-56.6	0	0	0	107.5	I18 I25 N34 T35 L38 V52 S53 V54 V55 A79	I18-I20 HydrophobicContact CG2-CD1 3.68Å; I18-I20 HydrophobicContact CG2-CG1 4.25Å; I20-I25 HydrophobicContact CG2-CG1 3.96Å; I20-N34 HydrophobicContact CD1-CB 4.28Å; I20-T35 WeakPolarHBondContact CG1-OG1 3.38Å; I20-L38 HydrophobicContact CD1-CD1 4.5Å; I20-V52 HydrophobicContact CG1-CG1 4.34Å; I20-S53 PolarHBondContact N-O 2.93Å; I20-V54 HydrophobicContact CB-CG1 4.28Å; I20-V54 HydrophobicContact CB-CG2 4.18Å; I20-V54 HydrophobicContact CG2-CG1 4.37Å; I20-V54 CarbonylContact O-C 3.55Å; I20-V54 WeakPolarHBondContact O-CA 3.32Å; I20-V55 PolarHBondContact O-N 3.39Å; I20-A79 HydrophobicContact CD1-CB 3.89Å
21	V	98.3	Very high	91.4	Very high	3 Å²	3	57 Å²	57	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.1	-179.7	-175.1	0	0	0	0	107.3	I19 V55 D57 I62 A79 T90	I19-V21 HydrophobicContact CG2-CG2 4.03Å; V21-V55 HydrophobicContact CB-CG2 4.48Å; V21-V55 HydrophobicContact CG2-CG2 3.94Å; V21-D57 WeakPolarHBondContact CG1-OD1 3.1Å; V21-I62 HydrophobicContact CG1-CD1 3.5Å; V21-I62 VanDerWaalsContact CG1-CD1 3.5Å; V21-I62 HydrophobicContact CG1-CG1 4Å; V21-I62 HydrophobicContact CG2-CD1 4.42Å; V21-I62 HydrophobicContact CG2-CG1 4.26Å; V21-I62 HydrophobicContact CG2-CG2 4.4Å; V21-A79 PolarHBondContact N-O 2.79Å; V21-T90 HydrophobicContact CG2-CG2 4.48Å
22	G	96.6	Very high	93.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.01	28%	0.283	C	S	.	.			trans	166.9	114.7	-179.3	0	0	0	0	0	113.1	E24 I25 L26 V55 D57	G22-E24 VanDerWaalsContact C-OE2 3.32Å; G22-E24 WeakPolarHBondContact CA-OE2 3.27Å; G22-E24 PolarHBondContact O-N 3.42Å; G22-I25 WeakPolarHBondContact O-CB 3.37Å; G22-I25 PolarHBondContact O-N 2.95Å; G22-I25 VanDerWaalsContact O-N 3.16Å; G22-L26 PolarHBondContact O-N 2.99Å; G22-V55 PolarHBondContact N-O 3.4Å; G22-V55 VanDerWaalsContact N-O 3.17Å; G22-D57 WeakPolarHBondContact CA-OD2 3.25Å
23	D	96.3	Very high	95.7	Very high	54 Å²	54	48.9 Å²	48.9	29%	0.289	27%	0.267	S	S	.	.	H	α-helix	trans	-55.7	-35.5	173.4	-108.7	14.5	0	0	0	113.1	I25 L26 K27 P56 D57	D23-I25 VanDerWaalsContact C-N 3.29Å; D23-I25 PolarHBondContact O-N 3.45Å; D23-L26 PolarHBondContact O-N 2.86Å; D23-K27 WeakPolarHBondContact O-CB 3.4Å; D23-K27 WeakPolarHBondContact O-CD 3.42Å; D23-K27 WeakPolarHBondContact O-CG 3.33Å; D23-K27 PolarHBondContact O-N 3.34Å; D23-K27 IonicContact OD2-NZ 3.83Å; D23-K27 PolarHBondContact OD2-NZ 3.38Å; D23-P56 WeakPolarHBondContact OD1-CB 3.39Å; D23-D57 WeakPolarHBondContact CB-OD2 3.49Å; D23-D57 PolarHBondContact N-OD2 3.37Å
24	E	95.1	Very high	96.5	Very high	77 Å²	77	46.7 Å²	46.7	36%	0.36	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-29	179.1	76.6	-70.1	172.5	0	0	113	G22 G28 H29 T30	G22-E24 VanDerWaalsContact C-OE2 3.32Å; G22-E24 WeakPolarHBondContact CA-OE2 3.27Å; G22-E24 PolarHBondContact O-N 3.42Å; E24-G28 PolarHBondContact O-N 3.44Å; E24-H29 HydrophobicContact CB-CB 4.44Å; E24-H29 PolarHBondContact O-N 2.96Å; E24-T30 WeakPolarHBondContact CG-OG1 3.4Å; E24-T30 PolarHBondContact O-N 3.22Å
25	I	96.3	Very high	96.7	Very high	30 Å²	30	47.6 Å²	47.6	15%	0.154	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-47.4	172.4	-53	-55.3	0	0	0	109.2	I20 G22 D23 K27 G28 T30 D32 V54	I20-I25 HydrophobicContact CG2-CG1 3.96Å; G22-I25 WeakPolarHBondContact O-CB 3.37Å; G22-I25 PolarHBondContact O-N 2.95Å; G22-I25 VanDerWaalsContact O-N 3.16Å; D23-I25 VanDerWaalsContact C-N 3.29Å; D23-I25 PolarHBondContact O-N 3.45Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 3.44Å; I25-G28 PolarHBondContact O-N 3.03Å; I25-T30 HydrophobicContact CD1-CG2 3.87Å; I25-D32 HydrophobicContact CD1-CB 4.36Å; I25-D32 HydrophobicContact CG2-CB 4Å; I25-V54 HydrophobicContact CB-CG1 3.92Å; I25-V54 HydrophobicContact CG2-CG1 3.62Å
26	L	96.8	Very high	96.7	Very high	93 Å²	93	53.6 Å²	53.6	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-33.1	179.1	-68.1	177.8	0	0	0	112.8	G22 D23 G28 V54 P56	G22-L26 PolarHBondContact O-N 2.99Å; D23-L26 PolarHBondContact O-N 2.86Å; L26-G28 PolarHBondContact O-N 3.15Å; L26-V54 HydrophobicContact CD2-CB 3.97Å; L26-V54 HydrophobicContact CD2-CG1 3.61Å; L26-V54 HydrophobicContact CG-CG1 3.92Å; L26-P56 HydrophobicContact CD1-CB 3.98Å; L26-P56 HydrophobicContact CD1-CG 4.44Å
27	K	96.6	Very high	96.7	Very high	122 Å²	122	55 Å²	55	53%	0.53	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.4	174.6	-68.7	162.1	-165.6	162.6	0	113	D23 I25 H29	D23-K27 WeakPolarHBondContact O-CB 3.4Å; D23-K27 WeakPolarHBondContact O-CD 3.42Å; D23-K27 WeakPolarHBondContact O-CG 3.33Å; D23-K27 PolarHBondContact O-N 3.34Å; D23-K27 IonicContact OD2-NZ 3.83Å; D23-K27 PolarHBondContact OD2-NZ 3.38Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 3.44Å; K27-H29 PolarHBondContact O-N 2.84Å
28	G	94.8	Very high	96.6	Very high	61 Å²	61	55 Å²	55	63%	0.629	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	17.1	-177.2	0	0	0	0	0	114.1	E24 I25 L26 T30	E24-G28 PolarHBondContact O-N 3.44Å; I25-G28 PolarHBondContact O-N 3.03Å; L26-G28 PolarHBondContact O-N 3.15Å; G28-T30 VanDerWaalsContact C-N 3.34Å
29	H	94.5	Very high	96.6	Very high	155 Å²	155	57 Å²	57	72%	0.718	30%	0.3	S	S	*	.	S	Bend	trans	-75.1	-29.5	176.6	-69.5	177.7	0	0	0	111.8	E24 K27	E24-H29 HydrophobicContact CB-CB 4.44Å; E24-H29 PolarHBondContact O-N 2.96Å; K27-H29 PolarHBondContact O-N 2.84Å
30	T	93.5	Very high	96.5	Very high	71 Å²	71	65.5 Å²	65.5	44%	0.436	33%	0.333	S	S	.	.	S	Bend	trans	-124.7	128.9	179.7	-59.7	0	0	0	0	108.7	E24 I25 G28 D32	E24-T30 WeakPolarHBondContact CG-OG1 3.4Å; E24-T30 PolarHBondContact O-N 3.22Å; I25-T30 HydrophobicContact CD1-CG2 3.87Å; G28-T30 VanDerWaalsContact C-N 3.34Å; T30-D32 PolarHBondContact O-N 3.34Å
31	Q	94.1	Very high	96.4	Very high	167 Å²	167	65.8 Å²	65.8	78%	0.78	33%	0.334	S	S	*	.			trans	-74.7	124.5	172.2	-176.5	177.4	1.1	0	0	109.7	T33	Q31-T33 PolarHBondContact O-N 2.79Å
32	D	96	Very high	96.3	Very high	42 Å²	42	65.7 Å²	65.7	23%	0.225	33%	0.334	C	S	.	.			trans	-68.9	105.5	174.8	175.3	16.2	0	0	0	111.1	I25 T30 N34 T35	I25-D32 HydrophobicContact CD1-CB 4.36Å; I25-D32 HydrophobicContact CG2-CB 4Å; T30-D32 PolarHBondContact O-N 3.34Å; D32-N34 WeakPolarHBondContact OD1-CB 3.47Å; D32-N34 PolarHBondContact OD1-N 3.4Å; D32-T35 PolarHBondContact OD1-N 3.28Å; D32-T35 WeakPolarHBondContact OD2-CB 3.49Å; D32-T35 PolarHBondContact OD2-OG1 2.86Å
33	T	96.6	Very high	96.3	Very high	64 Å²	64	69.6 Å²	69.6	39%	0.393	35%	0.348	S	S	.	.			trans	-99.4	-13.7	172.3	54.8	0	0	0	0	112.5	Q31 F37	Q31-T33 PolarHBondContact O-N 2.79Å; T33-F37 PolarHBondContact O-N 3.33Å
34	N	97.4	Very high	96.2	Very high	10 Å²	10	71.3 Å²	71.3	5%	0.053	36%	0.364	C	S	.	.	H	α-helix	trans	-68.9	-44.6	-179.2	-74.4	-25.7	0	0	0	110.9	I20 D32 F36 F37 L38 G159 P161 L164	I20-N34 HydrophobicContact CD1-CB 4.28Å; D32-N34 WeakPolarHBondContact OD1-CB 3.47Å; D32-N34 PolarHBondContact OD1-N 3.4Å; N34-F36 VanDerWaalsContact C-N 3.32Å; N34-F36 PolarHBondContact O-N 3.44Å; N34-F37 PolarHBondContact O-N 2.82Å; N34-L38 WeakPolarHBondContact O-CB 3.34Å; N34-L38 VanDerWaalsContact O-CG 3.24Å; N34-L38 WeakPolarHBondContact O-CG 3.49Å; N34-L38 PolarHBondContact O-N 2.91Å; N34-G159 PolarHBondContact ND2-O 3.36Å; N34-P161 VanDerWaalsContact OD1-CA 3.26Å; N34-P161 WeakPolarHBondContact OD1-CA 3.46Å; N34-P161 WeakPolarHBondContact OD1-CB 3.46Å; N34-L164 HydrophobicContact CB-CD1 4.12Å
35	T	97.9	Very high	96.2	Very high	27 Å²	27	68.4 Å²	68.4	17%	0.166	35%	0.351	C	S	.	.	H	α-helix	trans	-57.5	-45.4	177.6	-70.5	0	0	0	0	111.8	I20 D32 F37 L38 C39 V52	I20-T35 WeakPolarHBondContact CG1-OG1 3.38Å; D32-T35 PolarHBondContact OD1-N 3.28Å; D32-T35 WeakPolarHBondContact OD2-CB 3.49Å; D32-T35 PolarHBondContact OD2-OG1 2.86Å; T35-F37 PolarHBondContact O-N 2.99Å; T35-L38 PolarHBondContact O-N 3.44Å; T35-C39 WeakPolarHBondContact O-CB 3.44Å; T35-C39 PolarHBondContact O-N 2.95Å; T35-C39 PolarHBondContact O-SG 2.97Å; T35-V52 HydrophobicContact CG2-CB 4.39Å; T35-V52 HydrophobicContact CG2-CG1 3.92Å; T35-V52 HydrophobicContact CG2-CG2 3.8Å
36	F	96.8	Very high	96.1	Very high	146 Å²	146	67.1 Å²	67.1	64%	0.64	35%	0.345	S	S	*	.	H	α-helix	trans	-59.1	-49.5	178.4	177.1	-97.7	0	0	0	111.4	N34 R40	N34-F36 VanDerWaalsContact C-N 3.32Å; N34-F36 PolarHBondContact O-N 3.44Å; F36-R40 WeakPolarHBondContact O-CB 2.94Å; F36-R40 PolarHBondContact O-N 2.75Å; F36-R40 VanDerWaalsContact O-N 3.13Å
37	F	97.7	Very high	96.1	Very high	30 Å²	30	62.7 Å²	62.7	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-47.9	178.4	173.1	-98.3	0	0	0	112.2	T33 N34 T35 C39 R40 T41 L164 Q165 L168 E169	T33-F37 PolarHBondContact O-N 3.33Å; N34-F37 PolarHBondContact O-N 2.82Å; T35-F37 PolarHBondContact O-N 2.99Å; F37-C39 PolarHBondContact O-N 3.38Å; F37-R40 PolarHBondContact O-N 2.68Å; F37-T41 WeakPolarHBondContact CE2-OG1 3.15Å; F37-T41 WeakPolarHBondContact CZ-OG1 3.32Å; F37-T41 WeakPolarHBondContact O-CB 3.18Å; F37-T41 PolarHBondContact O-N 2.69Å; F37-T41 PolarHBondContact O-OG1 3.04Å; F37-T41 VanDerWaalsContact O-OG1 3.05Å; F37-L164 HydrophobicContact CD1-CD2 3.52Å; F37-L164 HydrophobicContact CE1-CD2 3.8Å; F37-Q165 HydrophobicContact CD1-CG 3.71Å; F37-Q165 HydrophobicContact CD2-CG 3.73Å; F37-Q165 HydrophobicContact CE1-CB 4.05Å; F37-Q165 HydrophobicContact CE1-CG 3.71Å; F37-Q165 HydrophobicContact CE2-CB 4.18Å; F37-Q165 HydrophobicContact CE2-CG 3.73Å; F37-Q165 HydrophobicContact CG-CG 3.71Å; F37-Q165 HydrophobicContact CZ-CB 3.86Å; F37-Q165 HydrophobicContact CZ-CG 3.72Å; F37-L168 HydrophobicContact CD1-CD2 4.28Å; F37-L168 HydrophobicContact CE1-CB 4.08Å; F37-L168 HydrophobicContact CE1-CD2 3.56Å; F37-L168 HydrophobicContact CE1-CG 4.36Å; F37-L168 HydrophobicContact CZ-CD2 4.25Å; F37-E169 HydrophobicContact CZ-CG 4.29Å
38	L	98.2	Very high	96	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-46	179.9	-74	166.4	0	0	0	111.7	I18 I20 N34 T35 R40 T41 L42 L77 L164 L168	I18-L38 HydrophobicContact CD1-CB 3.59Å; I18-L38 HydrophobicContact CD1-CD1 4.2Å; I18-L38 HydrophobicContact CG1-CD1 4.47Å; I18-L38 HydrophobicContact CG2-CD1 3.74Å; I20-L38 HydrophobicContact CD1-CD1 4.5Å; N34-L38 WeakPolarHBondContact O-CB 3.34Å; N34-L38 VanDerWaalsContact O-CG 3.24Å; N34-L38 WeakPolarHBondContact O-CG 3.49Å; N34-L38 PolarHBondContact O-N 2.91Å; T35-L38 PolarHBondContact O-N 3.44Å; L38-R40 PolarHBondContact O-N 2.82Å; L38-T41 PolarHBondContact O-N 2.96Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.25Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 3.25Å; L38-L77 HydrophobicContact CD2-CD2 3.74Å; L38-L164 HydrophobicContact CD1-CD1 4.25Å; L38-L164 HydrophobicContact CD2-CD2 4.02Å; L38-L164 HydrophobicContact CG-CD2 4.09Å; L38-L168 HydrophobicContact CD2-CD2 3.82Å
39	C	97.6	Very high	96.1	Very high	41 Å²	41	59.9 Å²	59.9	28%	0.277	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-45.4	178.9	-68.5	0	0	0	0	111.8	T35 F37 R43	T35-C39 WeakPolarHBondContact O-CB 3.44Å; T35-C39 PolarHBondContact O-N 2.95Å; T35-C39 PolarHBondContact O-SG 2.97Å; F37-C39 PolarHBondContact O-N 3.38Å; C39-R43 WeakPolarHBondContact O-CB 3.04Å; C39-R43 PolarHBondContact O-N 3.08Å; C39-R43 VanDerWaalsContact O-N 3.08Å
40	R	96.3	Very high	96.2	Very high	180 Å²	180	55.4 Å²	55.4	68%	0.679	28%	0.283	S	S	*	.	H	α-helix	trans	-64.4	-44.4	178.7	-176.7	178.4	169.8	-179.8	-2.6	111.8	F36 F37 L38 S44	F36-R40 WeakPolarHBondContact O-CB 2.94Å; F36-R40 PolarHBondContact O-N 2.75Å; F36-R40 VanDerWaalsContact O-N 3.13Å; F37-R40 PolarHBondContact O-N 2.68Å; L38-R40 PolarHBondContact O-N 2.82Å; R40-S44 PolarHBondContact O-N 2.91Å; R40-S44 VanDerWaalsContact O-N 3.11Å
41	T	96.9	Very high	96.5	Very high	8 Å²	8	56.9 Å²	56.9	5%	0.049	28%	0.28	C	S	.	.	H	α-helix	trans	-72.6	-44.2	-177.3	-59.1	0	0	0	0	112	F37 L38 R43 S44 L45 L168	F37-T41 WeakPolarHBondContact CE2-OG1 3.15Å; F37-T41 WeakPolarHBondContact CZ-OG1 3.32Å; F37-T41 WeakPolarHBondContact O-CB 3.18Å; F37-T41 PolarHBondContact O-N 2.69Å; F37-T41 PolarHBondContact O-OG1 3.04Å; F37-T41 VanDerWaalsContact O-OG1 3.05Å; L38-T41 PolarHBondContact O-N 2.96Å; T41-R43 VanDerWaalsContact C-N 3.29Å; T41-R43 PolarHBondContact O-N 3.46Å; T41-S44 PolarHBondContact O-N 3.28Å; T41-S44 PolarHBondContact O-OG 3.36Å; T41-L45 HydrophobicContact CG2-CD1 4.3Å; T41-L45 VanDerWaalsContact O-CG 3.28Å; T41-L45 WeakPolarHBondContact O-CG 3.16Å; T41-L45 PolarHBondContact O-N 2.9Å; T41-L168 HydrophobicContact CG2-CD2 3.55Å; T41-L168 HydrophobicContact CG2-CG 3.98Å
42	L	97.1	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-38.7	176.2	-72.7	171.7	0	0	0	111.6	A16 I18 L38 S44 L45 G46 V47 V49 L77 F175	A16-L42 HydrophobicContact CB-CD1 3.81Å; I18-L42 HydrophobicContact CD1-CD1 4.42Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.25Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 3.25Å; L42-S44 PolarHBondContact O-N 3.3Å; L42-L45 CarbonylContact O-C 3.48Å; L42-L45 WeakPolarHBondContact O-CA 3.36Å; L42-L45 WeakPolarHBondContact O-CB 3.49Å; L42-L45 PolarHBondContact O-N 2.63Å; L42-L45 VanDerWaalsContact O-N 3.08Å; L42-G46 PolarHBondContact O-N 2.86Å; L42-V47 CarbonylContact C-O 3.52Å; L42-V47 HydrophobicContact CB-CB 4.09Å; L42-V47 HydrophobicContact CB-CG1 4.34Å; L42-V47 HydrophobicContact CD2-CB 4.32Å; L42-V47 HydrophobicContact CD2-CG1 4.31Å; L42-V47 WeakPolarHBondContact O-CA 3.47Å; L42-V47 WeakPolarHBondContact O-CB 3.35Å; L42-V47 PolarHBondContact O-N 3.32Å; L42-V49 HydrophobicContact CB-CG2 3.98Å; L42-V49 HydrophobicContact CD1-CG2 3.65Å; L42-V49 HydrophobicContact CG-CG2 4.49Å; L42-L77 HydrophobicContact CD1-CD1 4.14Å; L42-L77 HydrophobicContact CD1-CD2 4.18Å; L42-L77 HydrophobicContact CD2-CD2 4.41Å; L42-F175 HydrophobicContact CD2-CB 4.04Å; L42-F175 HydrophobicContact CD2-CD1 4.4Å; L42-F175 HydrophobicContact CD2-CG 4.16Å
43	R	95.1	Very high	96.8	Very high	84 Å²	84	50.3 Å²	50.3	32%	0.317	25%	0.253	S	S	.	.	H	α-helix	trans	-59.6	-45.8	173.3	-175.9	178.7	175.7	82.4	-3.8	111.7	C39 T41 L45 G46 F182 S184 D231	C39-R43 WeakPolarHBondContact O-CB 3.04Å; C39-R43 PolarHBondContact O-N 3.08Å; C39-R43 VanDerWaalsContact O-N 3.08Å; T41-R43 VanDerWaalsContact C-N 3.29Å; T41-R43 PolarHBondContact O-N 3.46Å; R43-L45 PolarHBondContact O-N 3.29Å; R43-L45 VanDerWaalsContact O-N 3.15Å; R43-G46 PolarHBondContact O-N 3.42Å; R43-F182 HydrophobicContact CG-CB 4.06Å; R43-F182 HydrophobicContact CG-CD2 3.68Å; R43-F182 HydrophobicContact CG-CE2 4.4Å; R43-F182 HydrophobicContact CG-CG 4.05Å; R43-F182 VanDerWaalsContact CZ-CB 3.47Å; R43-F182 VanDerWaalsContact O-CD2 3.29Å; R43-F182 WeakPolarHBondContact O-CD2 3.46Å; R43-S184 PolarHBondContact NH2-OG 2.64Å; R43-D231 IonicContact CZ-OD1 2.68Å; R43-D231 IonicContact NH2-OD1 3.5Å; R43-D231 PolarHBondContact NH2-OD1 3.06Å
44	S	94.8	Very high	96.9	Very high	89 Å²	89	49.8 Å²	49.8	62%	0.622	25%	0.25	S	C	*	.	H	α-helix	trans	-65.8	-16.8	177.5	72.5	0	0	0	0	113.7	R40 T41 L42	R40-S44 PolarHBondContact O-N 2.91Å; R40-S44 VanDerWaalsContact O-N 3.11Å; T41-S44 PolarHBondContact O-N 3.28Å; T41-S44 PolarHBondContact O-OG 3.36Å; L42-S44 PolarHBondContact O-N 3.3Å
45	L	95.5	Very high	96.9	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.089	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.9	174.1	-62.5	174.6	0	0	0	113.6	T41 L42 R43 K172 F175 N177	T41-L45 HydrophobicContact CG2-CD1 4.3Å; T41-L45 VanDerWaalsContact O-CG 3.28Å; T41-L45 WeakPolarHBondContact O-CG 3.16Å; T41-L45 PolarHBondContact O-N 2.9Å; L42-L45 CarbonylContact O-C 3.48Å; L42-L45 WeakPolarHBondContact O-CA 3.36Å; L42-L45 WeakPolarHBondContact O-CB 3.49Å; L42-L45 PolarHBondContact O-N 2.63Å; L42-L45 VanDerWaalsContact O-N 3.08Å; R43-L45 PolarHBondContact O-N 3.29Å; R43-L45 VanDerWaalsContact O-N 3.15Å; L45-K172 HydrophobicContact CD1-CB 4.17Å; L45-K172 HydrophobicContact CD1-CG 4.06Å; L45-K172 HydrophobicContact CD2-CB 3.92Å; L45-K172 HydrophobicContact CD2-CD 4.16Å; L45-K172 HydrophobicContact CD2-CG 4.11Å; L45-F175 HydrophobicContact CD1-CB 4.02Å; L45-N177 PolarHBondContact O-N 3.1Å
46	G	94.8	Very high	96.9	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	20.4	-178.5	0	0	0	0	0	113.9	L42 R43 N177 V180	L42-G46 PolarHBondContact O-N 2.86Å; R43-G46 PolarHBondContact O-N 3.42Å; G46-N177 WeakPolarHBondContact O-CB 3.36Å; G46-N177 PolarHBondContact O-ND2 3.48Å; G46-V180 VanDerWaalsContact CA-O 3.27Å; G46-V180 WeakPolarHBondContact CA-O 3.43Å
47	V	95.9	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.			trans	-107.3	126.1	178.8	-179.6	0	0	0	0	110.8	V14 A16 L42 F175 N177	V14-V47 HydrophobicContact CB-CG2 4.39Å; V14-V47 HydrophobicContact CG1-CB 4.44Å; V14-V47 HydrophobicContact CG1-CG1 4.11Å; V14-V47 HydrophobicContact CG1-CG2 3.8Å; A16-V47 HydrophobicContact CB-CG1 3.65Å; L42-V47 CarbonylContact C-O 3.52Å; L42-V47 HydrophobicContact CB-CB 4.09Å; L42-V47 HydrophobicContact CB-CG1 4.34Å; L42-V47 HydrophobicContact CD2-CB 4.32Å; L42-V47 HydrophobicContact CD2-CG1 4.31Å; L42-V47 WeakPolarHBondContact O-CA 3.47Å; L42-V47 WeakPolarHBondContact O-CB 3.35Å; L42-V47 PolarHBondContact O-N 3.32Å; V47-F175 WeakPolarHBondContact CG2-O 3.41Å; V47-N177 HydrophobicContact CG2-CB 4.47Å
48	Q	94.9	Very high	97	Very high	86 Å²	86	47.8 Å²	47.8	40%	0.402	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.6	176.7	-172.8	-176.9	4.2	0	0	110.6	V14 T15 A16 C50 F182	V14-Q48 PolarHBondContact O-N 3.29Å; T15-Q48 CarbonylContact C-O 3.58Å; T15-Q48 VanDerWaalsContact CA-O 3.25Å; T15-Q48 WeakPolarHBondContact CA-O 3.38Å; A16-Q48 PolarHBondContact N-O 3.46Å; Q48-C50 PolarHBondContact O-N 2.83Å; Q48-F182 HydrophobicContact CB-CZ 4.1Å
49	V	97.1	Very high	97	Very high	38 Å²	38	49.9 Å²	49.9	23%	0.23	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.3	168	-180	0	0	0	0	109.1	A16 I18 L42 V52	A16-V49 HydrophobicContact CB-CG2 4.25Å; A16-V49 WeakPolarHBondContact O-CA 3.2Å; I18-V49 HydrophobicContact CD1-CG1 3.83Å; I18-V49 HydrophobicContact CD1-CG2 4.09Å; I18-V49 HydrophobicContact CG1-CG1 4.25Å; L42-V49 HydrophobicContact CB-CG2 3.98Å; L42-V49 HydrophobicContact CD1-CG2 3.65Å; L42-V49 HydrophobicContact CG-CG2 4.49Å; V49-V52 HydrophobicContact CG1-CG2 4.21Å
50	C	96.8	Very high	97.1	Very high	61 Å²	61	50.2 Å²	50.2	41%	0.412	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-25.4	-175.2	-65	0	0	0	0	113.4	T15 A16 Q48 F73	T15-C50 VanDerWaalsContact CG2-SG 3.51Å; A16-C50 PolarHBondContact O-N 3.17Å; Q48-C50 PolarHBondContact O-N 2.83Å; C50-F73 HydrophobicContact CB-CD1 3.93Å; C50-F73 HydrophobicContact CB-CE1 3.4Å; C50-F73 VanDerWaalsContact CB-CE1 3.4Å; C50-F73 HydrophobicContact CB-CZ 4.16Å
51	R	98.2	Very high	97.2	Very high	102 Å²	102	44 Å²	44	39%	0.385	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	141.9	179.4	-171.3	174.9	162.4	159.5	-18.7	111.1	G17 I18 E65 F69 F73	G17-R51 WeakPolarHBondContact CA-O 3.41Å; I18-R51 PolarHBondContact N-O 3.16Å; R51-E65 IonicContact CZ-OE1 2.75Å; R51-E65 IonicContact NE-OE1 3.71Å; R51-E65 IonicContact NH2-OE1 2.69Å; R51-E65 PolarHBondContact NH2-OE1 3.06Å; R51-F69 HydrophobicContact CB-CE1 4.3Å; R51-F69 HydrophobicContact CB-CZ 4.06Å; R51-F69 HydrophobicContact CG-CE1 4.33Å; R51-F69 HydrophobicContact CG-CE2 4.43Å; R51-F69 HydrophobicContact CG-CZ 3.66Å; R51-F73 HydrophobicContact CB-CE2 4.13Å; R51-F73 HydrophobicContact CB-CZ 3.73Å
52	V	98.6	Very high	97.3	Very high	52 Å²	52	43.7 Å²	43.7	32%	0.315	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.3	166.6	-173.3	0	0	0	0	107.8	I18 I20 T35 V49	I18-V52 HydrophobicContact CB-CG1 4.22Å; I18-V52 HydrophobicContact CB-CG2 4.21Å; I18-V52 HydrophobicContact CD1-CG2 4.31Å; I18-V52 HydrophobicContact CG2-CG1 4.24Å; I18-V52 CarbonylContact O-C 3.48Å; I18-V52 VanDerWaalsContact O-CA 3.3Å; I18-V52 WeakPolarHBondContact O-CA 3.49Å; I20-V52 HydrophobicContact CG1-CG1 4.34Å; T35-V52 HydrophobicContact CG2-CB 4.39Å; T35-V52 HydrophobicContact CG2-CG1 3.92Å; T35-V52 HydrophobicContact CG2-CG2 3.8Å; V49-V52 HydrophobicContact CG1-CG2 4.21Å
53	S	98.4	Very high	97.3	Very high	18 Å²	18	44 Å²	44	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.7	172.9	-160.3	0	0	0	0	109.1	I18 I19 I20 E65	I18-S53 PolarHBondContact O-N 2.82Å; I19-S53 CarbonylContact C-O 3.06Å; I19-S53 WeakPolarHBondContact CA-O 3.45Å; I20-S53 PolarHBondContact N-O 2.93Å; S53-E65 WeakPolarHBondContact CB-OE1 3.38Å; S53-E65 PolarHBondContact OG-OE1 3.14Å
54	V	98.5	Very high	97.5	Very high	53 Å²	53	42.9 Å²	42.9	32%	0.321	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124	172.6	-171.4	0	0	0	0	106.9	I20 I25 L26	I20-V54 HydrophobicContact CB-CG1 4.28Å; I20-V54 HydrophobicContact CB-CG2 4.18Å; I20-V54 HydrophobicContact CG2-CG1 4.37Å; I20-V54 CarbonylContact O-C 3.55Å; I20-V54 WeakPolarHBondContact O-CA 3.32Å; I25-V54 HydrophobicContact CB-CG1 3.92Å; I25-V54 HydrophobicContact CG2-CG1 3.62Å; L26-V54 HydrophobicContact CD2-CB 3.97Å; L26-V54 HydrophobicContact CD2-CG1 3.61Å; L26-V54 HydrophobicContact CG-CG1 3.92Å
55	V	98.4	Very high	97.7	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.6	-172.5	-62.3	0	0	0	0	111.1	I19 I20 V21 G22 T61 I62 E65	I19-V55 HydrophobicContact CG2-CG1 4.5Å; I19-V55 HydrophobicContact CG2-CG2 3.68Å; I20-V55 PolarHBondContact O-N 3.39Å; V21-V55 HydrophobicContact CB-CG2 4.48Å; V21-V55 HydrophobicContact CG2-CG2 3.94Å; G22-V55 PolarHBondContact N-O 3.4Å; G22-V55 VanDerWaalsContact N-O 3.17Å; V55-T61 HydrophobicContact CB-CG2 4.24Å; V55-T61 HydrophobicContact CG1-CG2 4.38Å; V55-I62 HydrophobicContact CG2-CG1 3.81Å; V55-E65 HydrophobicContact CG1-CB 4.33Å; V55-E65 HydrophobicContact CG1-CG 4.24Å
56	P	98.2	Very high	97.9	Very high	27 Å²	27	39.4 Å²	39.4	18%	0.175	23%	0.228	C	C	.	.			trans	-69.2	165.1	174.9	31.4	-36.9	0	0	0	111.2	D23 L26 E58 T61	D23-P56 WeakPolarHBondContact OD1-CB 3.39Å; L26-P56 HydrophobicContact CD1-CB 3.98Å; L26-P56 HydrophobicContact CD1-CG 4.44Å; P56-E58 HydrophobicContact CB-CG 4.22Å; P56-E58 HydrophobicContact CG-CB 4.34Å; P56-E58 HydrophobicContact CG-CG 4.13Å; P56-E58 PolarHBondContact O-N 2.55Å; P56-T61 HydrophobicContact CG-CG2 4.1Å
57	D	97.8	Very high	98	Very high	29 Å²	29	41.6 Å²	41.6	16%	0.155	24%	0.241	C	C	.	.	S	Bend	trans	-72.3	54.3	176.4	-65.2	-73.1	0	0	0	112.5	V21 G22 D23 D87 V89	V21-D57 WeakPolarHBondContact CG1-OD1 3.1Å; G22-D57 WeakPolarHBondContact CA-OD2 3.25Å; D23-D57 WeakPolarHBondContact CB-OD2 3.49Å; D23-D57 PolarHBondContact N-OD2 3.37Å; D57-D87 HydrophobicContact CB-CB 4.35Å; D57-V89 WeakPolarHBondContact O-CG2 3.32Å
58	E	98.3	Very high	98.2	Very high	108 Å²	108	43.8 Å²	43.8	51%	0.505	26%	0.256	S	S	.	.			trans	-122.5	119.1	-176.7	-68	-178.8	174.4	0	0	111.3	P56 A60 T61 I62	P56-E58 HydrophobicContact CB-CG 4.22Å; P56-E58 HydrophobicContact CG-CB 4.34Å; P56-E58 HydrophobicContact CG-CG 4.13Å; P56-E58 PolarHBondContact O-N 2.55Å; E58-A60 VanDerWaalsContact C-N 3.27Å; E58-A60 PolarHBondContact O-N 2.87Å; E58-A60 VanDerWaalsContact O-N 3.13Å; E58-T61 PolarHBondContact O-N 2.87Å; E58-T61 PolarHBondContact OE2-OG1 2.64Å; E58-I62 WeakPolarHBondContact O-CG1 3.4Å; E58-I62 PolarHBondContact O-N 3.44Å
59	V	98.4	Very high	98.3	Very high	44 Å²	44	39.7 Å²	39.7	27%	0.267	24%	0.237	S	C	.	.	H	α-helix	trans	-49.2	-45.5	-177.4	173.4	0	0	0	0	113	A63 V89 E92 A93 R96	V59-A63 WeakPolarHBondContact O-CB 3.49Å; V59-A63 PolarHBondContact O-N 2.56Å; V59-V89 HydrophobicContact CG2-CB 3.68Å; V59-V89 HydrophobicContact CG2-CG1 4.22Å; V59-V89 HydrophobicContact CG2-CG2 3.92Å; V59-E92 HydrophobicContact CG2-CB 4.17Å; V59-A93 HydrophobicContact CG1-CB 4.46Å; V59-R96 HydrophobicContact CG1-CB 4.41Å
60	A	98.4	Very high	98.4	Very high	48 Å²	48	38.6 Å²	38.6	40%	0.397	23%	0.231	S	C	.	.	H	α-helix	trans	-67.7	-41.1	-177	0	0	0	0	0	112.2	E58 A64	E58-A60 VanDerWaalsContact C-N 3.27Å; E58-A60 PolarHBondContact O-N 2.87Å; E58-A60 VanDerWaalsContact O-N 3.13Å; A60-A64 WeakPolarHBondContact O-CB 3.21Å; A60-A64 PolarHBondContact O-N 3.07Å
61	T	98.6	Very high	98.4	Very high	51 Å²	51	41.8 Å²	41.8	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-70.6	-48.3	-177.5	-56.4	0	0	0	0	110.6	V55 P56 E58 A63 A64 E65	V55-T61 HydrophobicContact CB-CG2 4.24Å; V55-T61 HydrophobicContact CG1-CG2 4.38Å; P56-T61 HydrophobicContact CG-CG2 4.1Å; E58-T61 PolarHBondContact O-N 2.87Å; E58-T61 PolarHBondContact OE2-OG1 2.64Å; T61-A63 VanDerWaalsContact C-N 3.34Å; T61-A63 PolarHBondContact O-N 3.15Å; T61-A64 PolarHBondContact O-N 2.83Å; T61-E65 PolarHBondContact O-N 2.92Å; T61-E65 VanDerWaalsContact O-N 3.1Å
62	I	98.8	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-45.1	175.3	-60.4	159.4	0	0	0	110.1	V21 V55 E58 A64 E65 V66 V89 T90 A93	V21-I62 HydrophobicContact CG1-CD1 3.5Å; V21-I62 VanDerWaalsContact CG1-CD1 3.5Å; V21-I62 HydrophobicContact CG1-CG1 4Å; V21-I62 HydrophobicContact CG2-CD1 4.42Å; V21-I62 HydrophobicContact CG2-CG1 4.26Å; V21-I62 HydrophobicContact CG2-CG2 4.4Å; V55-I62 HydrophobicContact CG2-CG1 3.81Å; E58-I62 WeakPolarHBondContact O-CG1 3.4Å; E58-I62 PolarHBondContact O-N 3.44Å; I62-A64 PolarHBondContact O-N 2.82Å; I62-E65 PolarHBondContact O-N 3.02Å; I62-V66 HydrophobicContact CG2-CG2 4.08Å; I62-V66 WeakPolarHBondContact O-CB 3.27Å; I62-V66 VanDerWaalsContact O-CG2 3.25Å; I62-V66 WeakPolarHBondContact O-CG2 3.33Å; I62-V66 PolarHBondContact O-N 2.94Å; I62-V89 HydrophobicContact CD1-CG2 3.87Å; I62-T90 HydrophobicContact CG2-CG2 4.39Å; I62-A93 HydrophobicContact CB-CB 3.47Å; I62-A93 VanDerWaalsContact CB-CB 3.47Å; I62-A93 HydrophobicContact CD1-CB 4.26Å; I62-A93 HydrophobicContact CG1-CB 4.49Å; I62-A93 HydrophobicContact CG2-CB 3.36Å
63	A	98.8	Very high	98.4	Very high	6 Å²	6	42.2 Å²	42.2	5%	0.05	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-44.5	-179.1	0	0	0	0	0	112.2	V59 T61 V66 T67 A93 R96 A97	V59-A63 WeakPolarHBondContact O-CB 3.49Å; V59-A63 PolarHBondContact O-N 2.56Å; T61-A63 VanDerWaalsContact C-N 3.34Å; T61-A63 PolarHBondContact O-N 3.15Å; A63-V66 PolarHBondContact O-N 3.25Å; A63-T67 PolarHBondContact O-N 3.03Å; A63-T67 PolarHBondContact O-OG1 3.44Å; A63-A93 HydrophobicContact CB-CB 4.44Å; A63-A93 VanDerWaalsContact CB-O 3.27Å; A63-A93 WeakPolarHBondContact CB-O 3.21Å; A63-R96 HydrophobicContact CB-CB 4.13Å; A63-R96 HydrophobicContact CB-CG 4.15Å; A63-A97 HydrophobicContact CB-CB 4.11Å; A63-A97 WeakPolarHBondContact O-CB 3.43Å
64	A	98.8	Very high	98.3	Very high	62 Å²	62	43.6 Å²	43.6	51%	0.512	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-43.9	177.9	0	0	0	0	0	112.1	A60 T61 I62 T67 S68	A60-A64 WeakPolarHBondContact O-CB 3.21Å; A60-A64 PolarHBondContact O-N 3.07Å; T61-A64 PolarHBondContact O-N 2.83Å; I62-A64 PolarHBondContact O-N 2.82Å; A64-T67 PolarHBondContact O-N 2.73Å; A64-S68 PolarHBondContact O-N 3.24Å
65	E	98.7	Very high	98.3	Very high	32 Å²	32	42.2 Å²	42.2	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-42	179.2	-160.2	71.4	173.4	0	0	111.1	I19 R51 S53 V55 T61 I62 T67 S68 F69	I19-E65 HydrophobicContact CD1-CB 4.2Å; I19-E65 HydrophobicContact CD1-CG 3.96Å; I19-E65 HydrophobicContact CG1-CG 4.17Å; R51-E65 IonicContact CZ-OE1 2.75Å; R51-E65 IonicContact NE-OE1 3.71Å; R51-E65 IonicContact NH2-OE1 2.69Å; R51-E65 PolarHBondContact NH2-OE1 3.06Å; S53-E65 WeakPolarHBondContact CB-OE1 3.38Å; S53-E65 PolarHBondContact OG-OE1 3.14Å; V55-E65 HydrophobicContact CG1-CB 4.33Å; V55-E65 HydrophobicContact CG1-CG 4.24Å; T61-E65 PolarHBondContact O-N 2.92Å; T61-E65 VanDerWaalsContact O-N 3.1Å; I62-E65 PolarHBondContact O-N 3.02Å; E65-T67 PolarHBondContact O-N 3.33Å; E65-S68 PolarHBondContact O-N 2.65Å; E65-F69 HydrophobicContact CG-CD2 3.95Å; E65-F69 HydrophobicContact CG-CE2 3.82Å; E65-F69 HydrophobicContact CG-CZ 4.42Å; E65-F69 WeakPolarHBondContact O-CB 3.31Å; E65-F69 VanDerWaalsContact O-CD2 3.32Å; E65-F69 WeakPolarHBondContact O-CD2 3.03Å; E65-F69 PolarHBondContact O-N 3.14Å; E65-F69 WeakPolarHBondContact OE1-CE2 3.47Å
66	V	98.8	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-48.6	174.3	167.8	0	0	0	0	111.2	I19 I62 A63 S68 F69 S70 T78 V94 A97 F98 V154	I19-V66 HydrophobicContact CD1-CB 4.48Å; I19-V66 HydrophobicContact CD1-CG2 3.81Å; I62-V66 HydrophobicContact CG2-CG2 4.08Å; I62-V66 WeakPolarHBondContact O-CB 3.27Å; I62-V66 VanDerWaalsContact O-CG2 3.25Å; I62-V66 WeakPolarHBondContact O-CG2 3.33Å; I62-V66 PolarHBondContact O-N 2.94Å; A63-V66 PolarHBondContact O-N 3.25Å; V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 2.93Å; V66-F69 PolarHBondContact O-N 3.05Å; V66-S70 WeakPolarHBondContact O-CB 3.15Å; V66-S70 PolarHBondContact O-N 2.85Å; V66-T78 HydrophobicContact CG2-CG2 4.26Å; V66-V94 HydrophobicContact CG1-CG2 4.29Å; V66-V94 HydrophobicContact CG2-CG2 4.13Å; V66-A97 HydrophobicContact CB-CB 4.08Å; V66-A97 HydrophobicContact CG1-CB 3.77Å; V66-F98 HydrophobicContact CG1-CE2 4.06Å; V66-F98 HydrophobicContact CG1-CZ 3.94Å; V66-V154 HydrophobicContact CG1-CG1 4.29Å; V66-V154 HydrophobicContact CG1-CG2 3.85Å
67	T	98.6	Very high	98.4	Very high	50 Å²	50	40.6 Å²	40.6	31%	0.307	23%	0.228	S	C	.	.	H	α-helix	trans	-59.5	-45	176.5	-59.6	0	0	0	0	110.7	A63 A64 E65 F69 N71 A97	A63-T67 PolarHBondContact O-N 3.03Å; A63-T67 PolarHBondContact O-OG1 3.44Å; A64-T67 PolarHBondContact O-N 2.73Å; E65-T67 PolarHBondContact O-N 3.33Å; T67-F69 PolarHBondContact O-N 3.35Å; T67-N71 PolarHBondContact O-N 3.24Å; T67-N71 PolarHBondContact O-ND2 3.39Å; T67-A97 WeakPolarHBondContact OG1-CB 3.38Å; T67-A97 PolarHBondContact OG1-O 2.88Å
68	S	98.4	Very high	98.4	Very high	46 Å²	46	39.2 Å²	39.2	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-41.8	178.5	-178.9	0	0	0	0	112.4	A64 E65 V66 R72	A64-S68 PolarHBondContact O-N 3.24Å; E65-S68 PolarHBondContact O-N 2.65Å; V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 2.93Å; S68-R72 WeakPolarHBondContact O-CD 3.42Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.45Å
69	F	98.6	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.1	-43.1	-176.4	-87.8	-133.5	0	0	0	111.3	I18 I19 R51 E65 V66 T67 N71 R72 F73 V76	I18-F69 WeakPolarHBondContact O-CE1 3.19Å; I19-F69 HydrophobicContact CD1-CB 4.16Å; I19-F69 HydrophobicContact CD1-CD1 4.01Å; I19-F69 HydrophobicContact CD1-CG 3.99Å; I19-F69 HydrophobicContact CG1-CD1 3.7Å; I19-F69 HydrophobicContact CG1-CE1 3.9Å; I19-F69 HydrophobicContact CG1-CG 4.17Å; R51-F69 HydrophobicContact CB-CE1 4.3Å; R51-F69 HydrophobicContact CB-CZ 4.06Å; R51-F69 HydrophobicContact CG-CE1 4.33Å; R51-F69 HydrophobicContact CG-CE2 4.43Å; R51-F69 HydrophobicContact CG-CZ 3.66Å; E65-F69 HydrophobicContact CG-CD2 3.95Å; E65-F69 HydrophobicContact CG-CE2 3.82Å; E65-F69 HydrophobicContact CG-CZ 4.42Å; E65-F69 WeakPolarHBondContact O-CB 3.31Å; E65-F69 VanDerWaalsContact O-CD2 3.32Å; E65-F69 WeakPolarHBondContact O-CD2 3.03Å; E65-F69 PolarHBondContact O-N 3.14Å; E65-F69 WeakPolarHBondContact OE1-CE2 3.47Å; V66-F69 PolarHBondContact O-N 3.05Å; T67-F69 PolarHBondContact O-N 3.35Å; F69-N71 PolarHBondContact O-N 2.86Å; F69-R72 PolarHBondContact O-N 3.03Å; F69-F73 HydrophobicContact CB-CD2 4.02Å; F69-F73 HydrophobicContact CB-CE2 4.32Å; F69-F73 AromaticContact CD1-CD2 3.85Å; F69-F73 HydrophobicContact CD1-CD2 3.85Å; F69-F73 AromaticContact CD1-CE2 3.71Å; F69-F73 HydrophobicContact CD1-CE2 3.71Å; F69-F73 HydrophobicContact CD2-CE2 4.16Å; F69-F73 HydrophobicContact CE1-CD2 4.47Å; F69-F73 AromaticContact CE1-CE2 3.96Å; F69-F73 HydrophobicContact CE1-CE2 3.96Å; F69-F73 HydrophobicContact CE2-CE2 4.37Å; F69-F73 AromaticContact CG-CD2 3.96Å; F69-F73 HydrophobicContact CG-CD2 3.96Å; F69-F73 AromaticContact CG-CE2 3.81Å; F69-F73 HydrophobicContact CG-CE2 3.81Å; F69-F73 HydrophobicContact CZ-CE2 4.28Å; F69-F73 WeakPolarHBondContact O-CD2 3.07Å; F69-F73 PolarHBondContact O-N 2.93Å; F69-V76 HydrophobicContact CB-CB 4.5Å; F69-V76 HydrophobicContact CB-CG1 3.9Å; F69-V76 HydrophobicContact CB-CG2 3.73Å; F69-V76 HydrophobicContact CD1-CG1 4.34Å
70	S	98.3	Very high	98.3	Very high	14 Å²	14	32.2 Å²	32.2	10%	0.098	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-35.5	-179.2	174.9	0	0	0	0	111.9	V66 F98 N153	V66-S70 WeakPolarHBondContact O-CB 3.15Å; V66-S70 PolarHBondContact O-N 2.85Å; S70-F98 WeakPolarHBondContact OG-CZ 3.29Å; S70-N153 WeakPolarHBondContact CB-OD1 3.45Å; S70-N153 PolarHBondContact O-ND2 2.92Å; S70-N153 VanDerWaalsContact O-ND2 3.08Å; S70-N153 PolarHBondContact OG-OD1 2.93Å
71	N	97.6	Very high	98.1	Very high	129 Å²	129	30.2 Å²	30.2	69%	0.69	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-20.1	176.5	-71.1	-29.5	0	0	0	114.2	T67 F69	T67-N71 PolarHBondContact O-N 3.24Å; T67-N71 PolarHBondContact O-ND2 3.39Å; F69-N71 PolarHBondContact O-N 2.86Å
72	R	97.4	Very high	97.9	Very high	144 Å²	144	28.9 Å²	28.9	54%	0.543	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-31.8	-170.9	-71.6	175.5	66.4	169.1	3.8	113.9	S68 F69	S68-R72 WeakPolarHBondContact O-CD 3.42Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.45Å; F69-R72 PolarHBondContact O-N 3.03Å
73	F	98.1	Very high	97.6	Very high	19 Å²	19	29.9 Å²	29.9	8%	0.083	17%	0.171	C	C	.	.			trans	-118.9	154	-170.2	-53.4	-58	0	0	0	111.9	T15 C50 R51 F69 N153	T15-F73 WeakPolarHBondContact OG1-CA 3.37Å; C50-F73 HydrophobicContact CB-CD1 3.93Å; C50-F73 HydrophobicContact CB-CE1 3.4Å; C50-F73 VanDerWaalsContact CB-CE1 3.4Å; C50-F73 HydrophobicContact CB-CZ 4.16Å; R51-F73 HydrophobicContact CB-CE2 4.13Å; R51-F73 HydrophobicContact CB-CZ 3.73Å; F69-F73 HydrophobicContact CB-CD2 4.02Å; F69-F73 HydrophobicContact CB-CE2 4.32Å; F69-F73 AromaticContact CD1-CD2 3.85Å; F69-F73 HydrophobicContact CD1-CD2 3.85Å; F69-F73 AromaticContact CD1-CE2 3.71Å; F69-F73 HydrophobicContact CD1-CE2 3.71Å; F69-F73 HydrophobicContact CD2-CE2 4.16Å; F69-F73 HydrophobicContact CE1-CD2 4.47Å; F69-F73 AromaticContact CE1-CE2 3.96Å; F69-F73 HydrophobicContact CE1-CE2 3.96Å; F69-F73 HydrophobicContact CE2-CE2 4.37Å; F69-F73 AromaticContact CG-CD2 3.96Å; F69-F73 HydrophobicContact CG-CD2 3.96Å; F69-F73 AromaticContact CG-CE2 3.81Å; F69-F73 HydrophobicContact CG-CE2 3.81Å; F69-F73 HydrophobicContact CZ-CE2 4.28Å; F69-F73 WeakPolarHBondContact O-CD2 3.07Å; F69-F73 PolarHBondContact O-N 2.93Å; F73-N153 PolarHBondContact O-ND2 2.8Å
74	T	97.6	Very high	97.2	Very high	47 Å²	47	32.2 Å²	32.2	29%	0.288	19%	0.186	S	C	.	.	S	Bend	trans	-65.8	-45	177.5	-49.7	0	0	0	0	110.9	V14 T15 N153	V14-T74 HydrophobicContact CG1-CG2 4.02Å; T15-T74 PolarHBondContact N-OG1 2.88Å; T15-T74 WeakPolarHBondContact O-CA 3.44Å; T15-T74 VanDerWaalsContact O-CB 3.25Å; T15-T74 WeakPolarHBondContact O-CB 3.49Å; T15-T74 PolarHBondContact O-N 2.91Å; T15-T74 PolarHBondContact OG1-N 2.82Å; T15-T74 VanDerWaalsContact OG1-N 3.14Å; T15-T74 PolarHBondContact OG1-OG1 3.29Å; T74-N153 VanDerWaalsContact O-CB 3.27Å; T74-N153 WeakPolarHBondContact O-CB 3.46Å; T74-N153 PolarHBondContact O-ND2 2.67Å
75	H	98.3	Very high	96.8	Very high	23 Å²	23	32.6 Å²	32.6	11%	0.106	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.1	175.3	-57.6	-71.9	0	0	0	111	T15 A16 G17 L77 Y155 F175	T15-H75 PolarHBondContact O-N 3.1Å; A16-H75 CarbonylContact C-O 3.41Å; A16-H75 VanDerWaalsContact CA-O 3.25Å; A16-H75 WeakPolarHBondContact CA-O 3.44Å; A16-H75 HydrophobicContact CB-CB 4.49Å; G17-H75 PolarHBondContact N-O 3.46Å; H75-L77 HydrophobicContact CB-CD1 3.97Å; H75-Y155 HydrophobicContact CB-CE2 4.39Å; H75-Y155 AromaticContact ND1-CE2 3.53Å; H75-Y155 AromaticContact ND1-CZ 3.99Å; H75-F175 HydrophobicContact CB-CD1 4.35Å; H75-F175 HydrophobicContact CB-CE1 4.47Å; H75-F175 AromaticContact CG-CD1 3.94Å; H75-F175 AromaticContact ND1-CD1 3.99Å
76	V	98.8	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.9	169	-177	0	0	0	0	108.1	G17 I19 F69 N153 V154 Y155	G17-V76 CarbonylContact O-C 3.6Å; G17-V76 VanDerWaalsContact O-CA 3.3Å; G17-V76 WeakPolarHBondContact O-CA 3.3Å; I19-V76 HydrophobicContact CD1-CG1 3.88Å; I19-V76 HydrophobicContact CG1-CG1 4.33Å; F69-V76 HydrophobicContact CB-CB 4.5Å; F69-V76 HydrophobicContact CB-CG1 3.9Å; F69-V76 HydrophobicContact CB-CG2 3.73Å; F69-V76 HydrophobicContact CD1-CG1 4.34Å; V76-N153 PolarHBondContact N-O 2.82Å; V76-V154 HydrophobicContact CB-CB 4.36Å; V76-V154 HydrophobicContact CB-CG1 4.29Å; V76-V154 HydrophobicContact CB-CG2 4.03Å; V76-V154 HydrophobicContact CG1-CG1 4.19Å; V76-V154 HydrophobicContact CG1-CG2 4.45Å; V76-V154 HydrophobicContact CG2-CG2 4.43Å; V76-V154 CarbonylContact O-C 3.48Å; V76-V154 VanDerWaalsContact O-CA 3.32Å; V76-V154 WeakPolarHBondContact O-CA 3.42Å; V76-Y155 PolarHBondContact O-N 2.94Å
77	L	98.7	Very high	95.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.5	177.5	-68.4	80.4	0	0	0	107.7	A16 G17 I18 I19 L38 L42 H75 F157 F175	A16-L77 HydrophobicContact CB-CD1 4.29Å; G17-L77 PolarHBondContact O-N 3.5Å; I18-L77 CarbonylContact C-O 3.59Å; I18-L77 WeakPolarHBondContact CA-O 3.32Å; I19-L77 PolarHBondContact N-O 3.5Å; L38-L77 HydrophobicContact CD2-CD2 3.74Å; L42-L77 HydrophobicContact CD1-CD1 4.14Å; L42-L77 HydrophobicContact CD1-CD2 4.18Å; L42-L77 HydrophobicContact CD2-CD2 4.41Å; H75-L77 HydrophobicContact CB-CD1 3.97Å; L77-F157 HydrophobicContact CB-CD2 4.28Å; L77-F157 HydrophobicContact CB-CE2 4.25Å; L77-F157 HydrophobicContact CD2-CD2 4.24Å; L77-F157 HydrophobicContact CD2-CE2 3.55Å; L77-F157 HydrophobicContact CD2-CZ 4.04Å; L77-F157 HydrophobicContact CG-CD2 4.39Å; L77-F157 HydrophobicContact CG-CE2 3.85Å; L77-F175 HydrophobicContact CD1-CE1 4.21Å; L77-F175 HydrophobicContact CD2-CE1 4.35Å; L77-F175 HydrophobicContact CD2-CZ 4.28Å; L77-F175 HydrophobicContact CG-CE1 4.34Å
78	T	98.6	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.4	168.6	64.1	0	0	0	0	108.8	I19 V66 T90 V154 Y155 L156 F157	I19-T78 HydrophobicContact CB-CG2 4.22Å; I19-T78 HydrophobicContact CD1-CG2 4.5Å; I19-T78 CarbonylContact O-C 3.52Å; I19-T78 WeakPolarHBondContact O-CA 3.46Å; V66-T78 HydrophobicContact CG2-CG2 4.26Å; T78-T90 HydrophobicContact CG2-CG2 4.38Å; T78-V154 HydrophobicContact CG2-CG1 3.96Å; T78-Y155 PolarHBondContact N-O 3.42Å; T78-Y155 PolarHBondContact OG1-O 3.08Å; T78-L156 WeakPolarHBondContact OG1-CA 3.34Å; T78-F157 WeakPolarHBondContact O-CA 3.39Å; T78-F157 VanDerWaalsContact O-CB 3.23Å; T78-F157 WeakPolarHBondContact O-CB 3.49Å; T78-F157 PolarHBondContact O-N 3.39Å
79	A	98	Very high	95.7	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	115.3	173.2	0	0	0	0	0	109.6	I19 I20 V21 F157 L164	I19-A79 PolarHBondContact O-N 2.93Å; I20-A79 HydrophobicContact CD1-CB 3.89Å; V21-A79 PolarHBondContact N-O 2.79Å; A79-F157 WeakPolarHBondContact CA-O 3.34Å; A79-L164 HydrophobicContact CB-CD1 3.52Å
80	G	96.3	Very high	95.7	Very high	5 Å²	5	40 Å²	40	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	110.7	166.9	-178.2	0	0	0	0	0	114.3	I82 T90 F157	G80-I82 VanDerWaalsContact C-N 3.33Å; G80-I82 PolarHBondContact O-N 2.91Å; G80-T90 PolarHBondContact O-OG1 3.26Å; G80-F157 PolarHBondContact N-O 2.88Å; G80-F157 VanDerWaalsContact N-O 3.12Å
81	G	94.9	Very high	95.6	Very high	6 Å²	6	39.6 Å²	39.6	6%	0.062	21%	0.208	C	C	.	.			trans	65.7	25.1	177.2	0	0	0	0	0	115.8	D88 V89 T90	G81-D88 WeakPolarHBondContact CA-OD1 3.23Å; G81-D88 CarbonylContact O-C 3.57Å; G81-D88 WeakPolarHBondContact O-CA 3.46Å; G81-V89 PolarHBondContact O-N 3.16Å; G81-V89 VanDerWaalsContact O-N 3.15Å; G81-T90 VanDerWaalsContact C-OG1 3.31Å; G81-T90 VanDerWaalsContact CA-OG1 3.27Å; G81-T90 WeakPolarHBondContact CA-OG1 3.27Å; G81-T90 WeakPolarHBondContact O-CB 3.46Å; G81-T90 PolarHBondContact O-N 3.03Å; G81-T90 PolarHBondContact O-OG1 2.88Å; G81-T90 VanDerWaalsContact O-OG1 3.06Å
82	I	95	Very high	95.7	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.118	19%	0.186	C	C	.	.			trans	-115.9	5.9	179.5	66.1	159	0	0	0	113.8	G80 D88 T90 F91 L123 L156 P158	G80-I82 VanDerWaalsContact C-N 3.33Å; G80-I82 PolarHBondContact O-N 2.91Å; I82-D88 PolarHBondContact N-OD1 2.8Å; I82-D88 VanDerWaalsContact N-OD1 3.16Å; I82-T90 HydrophobicContact CG2-CG2 4.32Å; I82-F91 HydrophobicContact CB-CE2 4.09Å; I82-F91 HydrophobicContact CB-CZ 4.2Å; I82-F91 HydrophobicContact CG2-CE1 4.45Å; I82-F91 HydrophobicContact CG2-CE2 4.42Å; I82-F91 HydrophobicContact CG2-CZ 4.24Å; I82-L123 WeakPolarHBondContact O-CD2 3.19Å; I82-L156 HydrophobicContact CG2-CB 4.24Å; I82-L156 HydrophobicContact CG2-CD2 4.38Å; I82-P158 HydrophobicContact CD1-CB 4.06Å; I82-P158 HydrophobicContact CG1-CB 4.47Å
83	G	91.3	Very high	95.7	Very high	20 Å²	20	28.9 Å²	28.9	21%	0.206	16%	0.16	C	C	.	.	S	Bend	trans	-76	-168.1	177.1	0	0	0	0	0	113.8	D88	G83-D88 WeakPolarHBondContact CA-OD1 3.08Å; G83-D88 WeakPolarHBondContact CA-OD2 3.41Å; G83-D88 PolarHBondContact N-OD1 2.88Å; G83-D88 PolarHBondContact N-OD2 2.88Å; G83-D88 WeakPolarHBondContact O-CB 3.27Å
84	P	89.9	Confident	95.8	Very high	56 Å²	56	28 Å²	28	36%	0.364	16%	0.157	S	C	.	.	S	Bend	trans	-86.2	-8.5	-176.9	34.2	-34.5	0	0	0	114.4	G119 W120	P84-G119 VanDerWaalsContact CB-O 3.23Å; P84-G119 WeakPolarHBondContact CB-O 3.3Å; P84-W120 HydrophobicContact CB-CE3 4.42Å; P84-W120 HydrophobicContact CG-CE3 4.31Å; P84-W120 HydrophobicContact CG-CZ3 4.14Å
85	T	90.9	Very high	95.8	Very high	69 Å²	69	25.9 Å²	25.9	42%	0.423	14%	0.144	S	C	.	.	S	Bend	trans	-81.8	171.7	-170.9	56.9	0	0	0	0	112.4	D87 D88 K122	T85-D87 VanDerWaalsContact C-N 3.31Å; T85-D87 WeakPolarHBondContact CB-OD1 3.45Å; T85-D87 PolarHBondContact O-N 3.36Å; T85-D87 PolarHBondContact OG1-OD1 3.12Å; T85-D88 PolarHBondContact N-OD2 3.12Å; T85-D88 WeakPolarHBondContact O-CB 3.33Å; T85-D88 PolarHBondContact O-N 2.92Å; T85-D88 PolarHBondContact OG1-OD2 2.99Å; T85-K122 PolarHBondContact O-NZ 3.33Å
86	H	87.9	Confident	95.8	Very high	171 Å²	171	32.3 Å²	32.3	79%	0.792	17%	0.167	S	C	*	.	S	Bend	trans	-69.4	-29.8	-171.7	62.5	-76.5	0	0	0	113.2
87	D	89.3	Confident	95.8	Very high	68 Å²	68	33 Å²	33	36%	0.364	17%	0.173	S	C	.	.	S	Bend	trans	-80.2	-15	174.7	50.5	-16	0	0	0	113.4	D57 T85 V89	D57-D87 HydrophobicContact CB-CB 4.35Å; T85-D87 VanDerWaalsContact C-N 3.31Å; T85-D87 WeakPolarHBondContact CB-OD1 3.45Å; T85-D87 PolarHBondContact O-N 3.36Å; T85-D87 PolarHBondContact OG1-OD1 3.12Å; D87-V89 PolarHBondContact O-N 2.84Å
88	D	96.2	Very high	95.7	Very high	25 Å²	25	34.1 Å²	34.1	13%	0.134	18%	0.178	C	C	.	.			trans	-73.1	82	174.3	-75.3	-62.6	0	0	0	112.4	G81 I82 G83 T85 K122	G81-D88 WeakPolarHBondContact CA-OD1 3.23Å; G81-D88 CarbonylContact O-C 3.57Å; G81-D88 WeakPolarHBondContact O-CA 3.46Å; I82-D88 PolarHBondContact N-OD1 2.8Å; I82-D88 VanDerWaalsContact N-OD1 3.16Å; G83-D88 WeakPolarHBondContact CA-OD1 3.08Å; G83-D88 WeakPolarHBondContact CA-OD2 3.41Å; G83-D88 PolarHBondContact N-OD1 2.88Å; G83-D88 PolarHBondContact N-OD2 2.88Å; G83-D88 WeakPolarHBondContact O-CB 3.27Å; T85-D88 PolarHBondContact N-OD2 3.12Å; T85-D88 WeakPolarHBondContact O-CB 3.33Å; T85-D88 PolarHBondContact O-N 2.92Å; T85-D88 PolarHBondContact OG1-OD2 2.99Å; D88-K122 WeakPolarHBondContact O-CE 3.2Å; D88-K122 PolarHBondContact O-NZ 2.92Å
89	V	97.6	Very high	95.7	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.115	21%	0.213	C	C	.	.			trans	-112.8	14.2	-168.9	-61.6	0	0	0	0	115.2	D57 V59 I62 G81 D87 E92 A93	D57-V89 WeakPolarHBondContact O-CG2 3.32Å; V59-V89 HydrophobicContact CG2-CB 3.68Å; V59-V89 HydrophobicContact CG2-CG1 4.22Å; V59-V89 HydrophobicContact CG2-CG2 3.92Å; I62-V89 HydrophobicContact CD1-CG2 3.87Å; G81-V89 PolarHBondContact O-N 3.16Å; G81-V89 VanDerWaalsContact O-N 3.15Å; D87-V89 PolarHBondContact O-N 2.84Å; V89-E92 VanDerWaalsContact C-OE2 3.3Å; V89-E92 VanDerWaalsContact CA-OE2 3.31Å; V89-E92 WeakPolarHBondContact CA-OE2 3.2Å; V89-E92 PolarHBondContact O-N 3.26Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 2.92Å
90	T	98.3	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-36	-173.5	-54.5	0	0	0	0	112.1	V21 I62 T78 G80 G81 I82 E92 A93 V94 L156	V21-T90 HydrophobicContact CG2-CG2 4.48Å; I62-T90 HydrophobicContact CG2-CG2 4.39Å; T78-T90 HydrophobicContact CG2-CG2 4.38Å; G80-T90 PolarHBondContact O-OG1 3.26Å; G81-T90 VanDerWaalsContact C-OG1 3.31Å; G81-T90 VanDerWaalsContact CA-OG1 3.27Å; G81-T90 WeakPolarHBondContact CA-OG1 3.27Å; G81-T90 WeakPolarHBondContact O-CB 3.46Å; G81-T90 PolarHBondContact O-N 3.03Å; G81-T90 PolarHBondContact O-OG1 2.88Å; G81-T90 VanDerWaalsContact O-OG1 3.06Å; I82-T90 HydrophobicContact CG2-CG2 4.32Å; T90-E92 VanDerWaalsContact C-N 3.35Å; T90-A93 PolarHBondContact O-N 2.93Å; T90-V94 HydrophobicContact CG2-CG2 4.43Å; T90-V94 WeakPolarHBondContact O-CB 3.32Å; T90-V94 WeakPolarHBondContact O-CG2 3.31Å; T90-V94 PolarHBondContact O-N 3.1Å; T90-L156 HydrophobicContact CG2-CD2 3.86Å
91	F	98.1	Very high	95.6	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-63.3	-42.8	174	-73.1	-47.2	0	0	0	111.4	I82 V94 A95 L102 V126 V149 L156	I82-F91 HydrophobicContact CB-CE2 4.09Å; I82-F91 HydrophobicContact CB-CZ 4.2Å; I82-F91 HydrophobicContact CG2-CE1 4.45Å; I82-F91 HydrophobicContact CG2-CE2 4.42Å; I82-F91 HydrophobicContact CG2-CZ 4.24Å; F91-V94 PolarHBondContact O-N 3.17Å; F91-A95 WeakPolarHBondContact O-CB 2.95Å; F91-A95 PolarHBondContact O-N 3.3Å; F91-L102 HydrophobicContact CB-CD2 4.21Å; F91-V126 HydrophobicContact CD1-CG1 4.06Å; F91-V126 HydrophobicContact CD2-CG1 4.32Å; F91-V126 HydrophobicContact CE1-CG1 3.96Å; F91-V126 HydrophobicContact CE2-CG1 4.2Å; F91-V126 HydrophobicContact CG-CG1 4.28Å; F91-V126 HydrophobicContact CZ-CG1 4.03Å; F91-V149 HydrophobicContact CE1-CB 3.77Å; F91-V149 HydrophobicContact CE1-CG1 3.81Å; F91-V149 HydrophobicContact CE1-CG2 4Å; F91-V149 HydrophobicContact CZ-CB 4.22Å; F91-V149 HydrophobicContact CZ-CG2 3.97Å; F91-L156 HydrophobicContact CD1-CD2 3.53Å; F91-L156 HydrophobicContact CE1-CB 4.13Å; F91-L156 HydrophobicContact CE1-CD1 4.45Å; F91-L156 HydrophobicContact CE1-CD2 3.69Å; F91-L156 HydrophobicContact CE1-CG 4.32Å
92	E	98.3	Very high	95.7	Very high	49 Å²	49	46.8 Å²	46.8	23%	0.229	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-44.1	176.8	-66.1	85.5	159.9	0	0	111.8	V59 V89 T90 A95 R96 L102 K122	V59-E92 HydrophobicContact CG2-CB 4.17Å; V89-E92 VanDerWaalsContact C-OE2 3.3Å; V89-E92 VanDerWaalsContact CA-OE2 3.31Å; V89-E92 WeakPolarHBondContact CA-OE2 3.2Å; V89-E92 PolarHBondContact O-N 3.26Å; T90-E92 VanDerWaalsContact C-N 3.35Å; E92-A95 PolarHBondContact O-N 3.45Å; E92-R96 WeakPolarHBondContact O-CB 2.86Å; E92-R96 PolarHBondContact O-N 3.13Å; E92-L102 HydrophobicContact CB-CD1 4.34Å; E92-L102 HydrophobicContact CG-CD1 4.12Å; E92-L102 HydrophobicContact CG-CD2 3.93Å; E92-K122 WeakPolarHBondContact OE1-CE 3.46Å; E92-K122 IonicContact OE1-NZ 2.66Å
93	A	98.5	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-44.1	176.6	0	0	0	0	0	112.7	V59 I62 A63 V89 T90 R96 A97	V59-A93 HydrophobicContact CG1-CB 4.46Å; I62-A93 HydrophobicContact CB-CB 3.47Å; I62-A93 VanDerWaalsContact CB-CB 3.47Å; I62-A93 HydrophobicContact CD1-CB 4.26Å; I62-A93 HydrophobicContact CG1-CB 4.49Å; I62-A93 HydrophobicContact CG2-CB 3.36Å; A63-A93 HydrophobicContact CB-CB 4.44Å; A63-A93 VanDerWaalsContact CB-O 3.27Å; A63-A93 WeakPolarHBondContact CB-O 3.21Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 2.92Å; T90-A93 PolarHBondContact O-N 2.93Å; A93-R96 PolarHBondContact O-N 3.48Å; A93-A97 WeakPolarHBondContact O-CB 3.23Å; A93-A97 PolarHBondContact O-N 3.39Å
94	V	98.6	Very high	95.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.9	-37.8	177.9	172	0	0	0	0	111.2	V66 T90 F91 A97 F98 P127 V151 V154 L156	V66-V94 HydrophobicContact CG1-CG2 4.29Å; V66-V94 HydrophobicContact CG2-CG2 4.13Å; T90-V94 HydrophobicContact CG2-CG2 4.43Å; T90-V94 WeakPolarHBondContact O-CB 3.32Å; T90-V94 WeakPolarHBondContact O-CG2 3.31Å; T90-V94 PolarHBondContact O-N 3.1Å; F91-V94 PolarHBondContact O-N 3.17Å; V94-A97 PolarHBondContact O-N 3.31Å; V94-F98 HydrophobicContact CG1-CD2 3.92Å; V94-F98 HydrophobicContact CG1-CE2 3.93Å; V94-F98 WeakPolarHBondContact O-CD2 3.39Å; V94-F98 PolarHBondContact O-N 2.82Å; V94-P127 HydrophobicContact CB-CG 4.46Å; V94-P127 HydrophobicContact CG1-CG 4.24Å; V94-V151 HydrophobicContact CG1-CB 3.78Å; V94-V151 HydrophobicContact CG1-CG1 4.34Å; V94-V151 HydrophobicContact CG1-CG2 3.8Å; V94-V154 HydrophobicContact CG2-CG1 4.31Å; V94-L156 HydrophobicContact CB-CD2 4.33Å; V94-L156 HydrophobicContact CG2-CD2 3.82Å; V94-L156 HydrophobicContact CG2-CG 4.47Å
95	A	98.3	Very high	96.1	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-49.9	172	0	0	0	0	0	110.7	F91 E92 A97 F98 G99 D100 L102 P127	F91-A95 WeakPolarHBondContact O-CB 2.95Å; F91-A95 PolarHBondContact O-N 3.3Å; E92-A95 PolarHBondContact O-N 3.45Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.39Å; A95-F98 PolarHBondContact O-N 3.47Å; A95-G99 PolarHBondContact O-N 3.23Å; A95-D100 HydrophobicContact CB-CB 4.22Å; A95-D100 PolarHBondContact O-N 2.94Å; A95-L102 HydrophobicContact CB-CD1 3.55Å; A95-L102 HydrophobicContact CB-CG 4.08Å; A95-P127 HydrophobicContact CB-CB 4.18Å; A95-P127 HydrophobicContact CB-CG 3.96Å
96	R	98.4	Very high	96.2	Very high	158 Å²	158	53.3 Å²	53.3	60%	0.596	28%	0.283	S	S	*	.	H	α-helix	trans	-60.1	-40.5	177.5	-176.5	178.5	-178.8	169.4	-1.5	112.6	V59 A63 E92 A93 F98 G99	V59-R96 HydrophobicContact CG1-CB 4.41Å; A63-R96 HydrophobicContact CB-CB 4.13Å; A63-R96 HydrophobicContact CB-CG 4.15Å; E92-R96 WeakPolarHBondContact O-CB 2.86Å; E92-R96 PolarHBondContact O-N 3.13Å; A93-R96 PolarHBondContact O-N 3.48Å; R96-F98 PolarHBondContact O-N 3.46Å; R96-G99 PolarHBondContact O-N 3.22Å
97	A	98.3	Very high	96.4	Very high	16 Å²	16	49.9 Å²	49.9	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-29.9	-179.7	0	0	0	0	0	113.1	A63 V66 T67 A93 V94 A95	A63-A97 HydrophobicContact CB-CB 4.11Å; A63-A97 WeakPolarHBondContact O-CB 3.43Å; V66-A97 HydrophobicContact CB-CB 4.08Å; V66-A97 HydrophobicContact CG1-CB 3.77Å; T67-A97 WeakPolarHBondContact OG1-CB 3.38Å; T67-A97 PolarHBondContact OG1-O 2.88Å; A93-A97 WeakPolarHBondContact O-CB 3.23Å; A93-A97 PolarHBondContact O-N 3.39Å; V94-A97 PolarHBondContact O-N 3.31Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.39Å
98	F	98.3	Very high	96.5	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.096	25%	0.25	C	S	.	.	H	α-helix	trans	-113.3	-0.4	-175.5	-62.5	-47.6	0	0	0	114.9	V66 S70 V94 A95 R96 D100 V151 R152 V154	V66-F98 HydrophobicContact CG1-CE2 4.06Å; V66-F98 HydrophobicContact CG1-CZ 3.94Å; S70-F98 WeakPolarHBondContact OG-CZ 3.29Å; V94-F98 HydrophobicContact CG1-CD2 3.92Å; V94-F98 HydrophobicContact CG1-CE2 3.93Å; V94-F98 WeakPolarHBondContact O-CD2 3.39Å; V94-F98 PolarHBondContact O-N 2.82Å; A95-F98 PolarHBondContact O-N 3.47Å; R96-F98 PolarHBondContact O-N 3.46Å; F98-D100 VanDerWaalsContact C-N 3.31Å; F98-V151 HydrophobicContact CD2-CB 4.2Å; F98-V151 HydrophobicContact CD2-CG1 3.52Å; F98-V151 HydrophobicContact CE2-CB 4.24Å; F98-V151 HydrophobicContact CE2-CG1 3.96Å; F98-V151 HydrophobicContact CG-CG1 4.43Å; F98-R152 VanDerWaalsContact CD1-CZ 3.45Å; F98-R152 PolarHBondContact O-NH2 3.41Å; F98-V154 HydrophobicContact CE2-CB 4.4Å; F98-V154 HydrophobicContact CE2-CG2 3.71Å; F98-V154 HydrophobicContact CZ-CG2 3.56Å
99	G	97.2	Very high	96.3	Very high	72 Å²	72	49 Å²	49	74%	0.742	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	28	-176.4	0	0	0	0	0	113	A95 R96	A95-G99 PolarHBondContact O-N 3.23Å; R96-G99 PolarHBondContact O-N 3.22Å
100	D	96.6	Very high	95.8	Very high	34 Å²	34	51 Å²	51	18%	0.182	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-88.1	154.1	179.2	-98.9	34.7	0	0	0	111.4	A95 F98 P127 S128 S129	A95-D100 HydrophobicContact CB-CB 4.22Å; A95-D100 PolarHBondContact O-N 2.94Å; F98-D100 VanDerWaalsContact C-N 3.31Å; D100-P127 HydrophobicContact CB-CB 3.94Å; D100-S128 PolarHBondContact OD2-N 2.98Å; D100-S129 PolarHBondContact OD1-OG 2.94Å; D100-S129 WeakPolarHBondContact OD2-CB 3.5Å; D100-S129 PolarHBondContact OD2-N 3.2Å; D100-S129 PolarHBondContact OD2-OG 2.55Å
101	E	96.3	Very high	95.3	Very high	117 Å²	117	51.5 Å²	51.5	55%	0.547	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-92.7	138.8	171.2	-165.1	-177.4	168.3	0	0	109.8	K103 S128	E101-K103 HydrophobicContact CG-CG 4.48Å; E101-K103 VanDerWaalsContact OE1-CE 3.32Å; E101-K103 WeakPolarHBondContact OE1-CE 3.38Å; E101-K103 IonicContact OE1-NZ 3.06Å; E101-K103 WeakPolarHBondContact OE2-CE 3.45Å; E101-K103 IonicContact OE2-NZ 3.13Å; E101-K103 PolarHBondContact OE2-NZ 3.32Å; E101-S128 WeakPolarHBondContact O-CB 3.09Å; E101-S128 PolarHBondContact O-N 3.16Å
102	L	96.1	Very high	94.8	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.288	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.5	169.3	-78.7	100.6	0	0	0	110.3	F91 E92 A95 L125 V126	F91-L102 HydrophobicContact CB-CD2 4.21Å; E92-L102 HydrophobicContact CB-CD1 4.34Å; E92-L102 HydrophobicContact CG-CD1 4.12Å; E92-L102 HydrophobicContact CG-CD2 3.93Å; A95-L102 HydrophobicContact CB-CD1 3.55Å; A95-L102 HydrophobicContact CB-CG 4.08Å; L102-L125 HydrophobicContact CD2-CB 4.19Å; L102-V126 WeakPolarHBondContact CA-O 3.25Å
103	K	95.4	Very high	94.2	Very high	96 Å²	96	57.1 Å²	57.1	42%	0.417	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.5	176	-70.3	-175.9	175.6	157.9	0	111	E101 H105 V126	E101-K103 HydrophobicContact CG-CG 4.48Å; E101-K103 VanDerWaalsContact OE1-CE 3.32Å; E101-K103 WeakPolarHBondContact OE1-CE 3.38Å; E101-K103 IonicContact OE1-NZ 3.06Å; E101-K103 WeakPolarHBondContact OE2-CE 3.45Å; E101-K103 IonicContact OE2-NZ 3.13Å; E101-K103 PolarHBondContact OE2-NZ 3.32Å; K103-H105 PolarHBondContact O-N 3.07Å; K103-V126 PolarHBondContact N-O 3.17Å; K103-V126 PolarHBondContact O-N 3.43Å
104	P	94.6	Very high	93.4	Very high	68 Å²	68	60.8 Å²	60.8	44%	0.442	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	129	166.6	-17.5	28.7	0	0	0	109.8	E109 S124 L125	P104-E109 HydrophobicContact CB-CG 4.2Å; P104-E109 WeakPolarHBondContact CB-OE1 3.25Å; P104-S124 CarbonylContact C-O 3.54Å; P104-S124 VanDerWaalsContact CA-O 3.29Å; P104-S124 WeakPolarHBondContact CA-O 3.25Å; P104-L125 HydrophobicContact CB-CD2 4.36Å; P104-L125 HydrophobicContact CG-CD2 3.68Å
105	H	95.5	Very high	92.3	Very high	49 Å²	49	64.2 Å²	64.2	23%	0.227	36%	0.356	C	S	.	.			trans	-95.9	123.8	172.2	-167.9	-73.6	0	0	0	110	K103 E107 L108 E109 S124 V126 L132	K103-H105 PolarHBondContact O-N 3.07Å; H105-E107 VanDerWaalsContact C-N 3.3Å; H105-E107 IonicContact CE1-OE1 3.84Å; H105-E107 PolarHBondContact ND1-N 2.86Å; H105-E107 PolarHBondContact O-N 3.49Å; H105-E107 VanDerWaalsContact O-N 3.17Å; H105-L108 HydrophobicContact CB-CB 4.18Å; H105-L108 HydrophobicContact CB-CD1 4Å; H105-L108 HydrophobicContact CB-CG 4.09Å; H105-L108 PolarHBondContact O-N 2.96Å; H105-E109 PolarHBondContact O-N 2.92Å; H105-S124 PolarHBondContact N-O 3.08Å; H105-V126 HydrophobicContact CB-CG2 3.74Å; H105-L132 WeakPolarHBondContact CE1-CD1 3.38Å
106	P	92.6	Very high	91.1	Very high	93 Å²	93	66 Å²	66	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-55.3	-40.1	-173.3	-28.2	34.4	0	0	0	114.5	E109 A110	P106-E109 PolarHBondContact O-N 3.31Å; P106-A110 PolarHBondContact O-N 2.86Å
107	E	91.9	Very high	89.6	Confident	99 Å²	99	61.9 Å²	61.9	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-36.1	176.1	-67.3	-177.7	-127.8	0	0	113	H105 A110 A111 L132 Y134	H105-E107 VanDerWaalsContact C-N 3.3Å; H105-E107 IonicContact CE1-OE1 3.84Å; H105-E107 PolarHBondContact ND1-N 2.86Å; H105-E107 PolarHBondContact O-N 3.49Å; H105-E107 VanDerWaalsContact O-N 3.17Å; E107-A110 PolarHBondContact O-N 2.84Å; E107-A111 WeakPolarHBondContact O-CB 3.43Å; E107-A111 PolarHBondContact O-N 2.75Å; E107-L132 HydrophobicContact CB-CD1 3.77Å; E107-L132 HydrophobicContact CG-CD1 4.5Å; E107-Y134 PolarHBondContact OE2-OH 3.44Å
108	L	91.9	Very high	88.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-73.3	-36.5	177.2	-66.6	179.1	0	0	0	110.8	H105 A110 A111 T112 V126 L132 F146 P147 V149	H105-L108 HydrophobicContact CB-CB 4.18Å; H105-L108 HydrophobicContact CB-CD1 4Å; H105-L108 HydrophobicContact CB-CG 4.09Å; H105-L108 PolarHBondContact O-N 2.96Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.9Å; L108-A111 PolarHBondContact O-N 3.11Å; L108-T112 VanDerWaalsContact O-CG2 3.29Å; L108-T112 WeakPolarHBondContact O-CG2 3.4Å; L108-T112 PolarHBondContact O-N 3.09Å; L108-T112 PolarHBondContact O-OG1 3.21Å; L108-T112 VanDerWaalsContact O-OG1 3.06Å; L108-V126 HydrophobicContact CD1-CB 4.29Å; L108-V126 HydrophobicContact CD1-CG1 3.42Å; L108-V126 VanDerWaalsContact CD1-CG1 3.42Å; L108-V126 HydrophobicContact CD1-CG2 3.87Å; L108-L132 HydrophobicContact CD1-CD2 4.03Å; L108-L132 HydrophobicContact CD2-CD1 4.26Å; L108-L132 HydrophobicContact CD2-CD2 4.1Å; L108-L132 HydrophobicContact CG-CD1 4.12Å; L108-L132 HydrophobicContact CG-CD2 4.09Å; L108-F146 HydrophobicContact CD2-CE1 4.05Å; L108-F146 HydrophobicContact CD2-CE2 4.01Å; L108-F146 HydrophobicContact CD2-CZ 3.68Å; L108-P147 HydrophobicContact CD2-CG 3.43Å; L108-P147 VanDerWaalsContact CD2-CG 3.43Å; L108-V149 HydrophobicContact CD1-CG2 4.22Å
109	E	91.1	Very high	87.6	Confident	74 Å²	74	70.9 Å²	70.9	35%	0.346	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-38.1	171.1	-68.5	-172.8	136.5	0	0	112.1	P104 H105 P106 T112 K113	P104-E109 HydrophobicContact CB-CG 4.2Å; P104-E109 WeakPolarHBondContact CB-OE1 3.25Å; H105-E109 PolarHBondContact O-N 2.92Å; P106-E109 PolarHBondContact O-N 3.31Å; E109-T112 WeakPolarHBondContact CA-OG1 3.38Å; E109-T112 PolarHBondContact O-OG1 3.02Å; E109-T112 VanDerWaalsContact O-OG1 3.11Å; E109-K113 WeakPolarHBondContact O-CB 3.09Å; E109-K113 WeakPolarHBondContact O-CD 3.32Å; E109-K113 WeakPolarHBondContact O-CG 3.48Å; E109-K113 PolarHBondContact O-N 3.41Å
110	A	88.5	Confident	87	Confident	61 Å²	61	72 Å²	72	50%	0.504	41%	0.413	S	S	.	.	H	α-helix	trans	-68.6	-42.4	174	0	0	0	0	0	111.5	P106 E107 L108 K113 A114	P106-A110 PolarHBondContact O-N 2.86Å; E107-A110 PolarHBondContact O-N 2.84Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.9Å; A110-K113 PolarHBondContact O-N 3.37Å; A110-A114 WeakPolarHBondContact O-CB 3.23Å; A110-A114 PolarHBondContact O-N 3.2Å
111	A	87	Confident	86.5	Confident	10 Å²	10	75.9 Å²	75.9	8%	0.083	43%	0.43	C	S	.	.	H	α-helix	trans	-64.2	-45.3	178.5	0	0	0	0	0	112.1	E107 L108 A114 L115 F146	E107-A111 WeakPolarHBondContact O-CB 3.43Å; E107-A111 PolarHBondContact O-N 2.75Å; L108-A111 PolarHBondContact O-N 3.11Å; A111-A114 WeakPolarHBondContact O-CB 3.17Å; A111-A114 PolarHBondContact O-N 3.06Å; A111-A114 VanDerWaalsContact O-N 3.14Å; A111-L115 WeakPolarHBondContact O-CG 3.39Å; A111-L115 PolarHBondContact O-N 2.81Å; A111-L115 VanDerWaalsContact O-N 3.09Å; A111-F146 HydrophobicContact CB-CD2 4.16Å
112	T	87.1	Confident	86.2	Confident	12 Å²	12	72.3 Å²	72.3	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-64.2	-41.4	177.8	55	0	0	0	0	111.6	L108 E109 A114 L115 W120 L123 F146	L108-T112 VanDerWaalsContact O-CG2 3.29Å; L108-T112 WeakPolarHBondContact O-CG2 3.4Å; L108-T112 PolarHBondContact O-N 3.09Å; L108-T112 PolarHBondContact O-OG1 3.21Å; L108-T112 VanDerWaalsContact O-OG1 3.06Å; E109-T112 WeakPolarHBondContact CA-OG1 3.38Å; E109-T112 PolarHBondContact O-OG1 3.02Å; E109-T112 VanDerWaalsContact O-OG1 3.11Å; T112-A114 VanDerWaalsContact C-N 3.28Å; T112-A114 PolarHBondContact O-N 3.14Å; T112-L115 WeakPolarHBondContact O-CB 3.29Å; T112-L115 PolarHBondContact O-N 3.42Å; T112-L115 VanDerWaalsContact O-N 3.16Å; T112-W120 HydrophobicContact CG2-CB 4.14Å; T112-W120 WeakPolarHBondContact CG2-O 3.46Å; T112-L123 HydrophobicContact CG2-CB 3.82Å; T112-L123 HydrophobicContact CG2-CD1 4.5Å; T112-F146 HydrophobicContact CG2-CE2 3.91Å
113	K	85.4	Confident	85.9	Confident	162 Å²	162	70.4 Å²	70.4	70%	0.704	40%	0.403	S	S	*	.	H	α-helix	trans	-60.2	-37.4	172.3	-74.7	171.1	-174.2	170.4	0	112.4	E109 A110 L115 G116	E109-K113 WeakPolarHBondContact O-CB 3.09Å; E109-K113 WeakPolarHBondContact O-CD 3.32Å; E109-K113 WeakPolarHBondContact O-CG 3.48Å; E109-K113 PolarHBondContact O-N 3.41Å; A110-K113 PolarHBondContact O-N 3.37Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 PolarHBondContact O-N 3.05Å; K113-G116 PolarHBondContact O-N 3.48Å
114	A	82.1	Confident	85.7	Confident	77 Å²	77	66.2 Å²	66.2	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-72.9	-20.6	178.3	0	0	0	0	0	113.7	A110 A111 T112 G116	A110-A114 WeakPolarHBondContact O-CB 3.23Å; A110-A114 PolarHBondContact O-N 3.2Å; A111-A114 WeakPolarHBondContact O-CB 3.17Å; A111-A114 PolarHBondContact O-N 3.06Å; A111-A114 VanDerWaalsContact O-N 3.14Å; T112-A114 VanDerWaalsContact C-N 3.28Å; T112-A114 PolarHBondContact O-N 3.14Å; A114-G116 VanDerWaalsContact C-N 3.3Å
115	L	76.9	Confident	85.8	Confident	72 Å²	72	66 Å²	66	38%	0.377	38%	0.38	S	S	.	.	H	α-helix	trans	-71.6	-26.2	172.3	-67.8	173.5	0	0	0	112.2	A111 T112 K113 R145 F146	A111-L115 WeakPolarHBondContact O-CG 3.39Å; A111-L115 PolarHBondContact O-N 2.81Å; A111-L115 VanDerWaalsContact O-N 3.09Å; T112-L115 WeakPolarHBondContact O-CB 3.29Å; T112-L115 PolarHBondContact O-N 3.42Å; T112-L115 VanDerWaalsContact O-N 3.16Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 PolarHBondContact O-N 3.05Å; L115-R145 HydrophobicContact CD2-CB 4.45Å; L115-F146 HydrophobicContact CD1-CD2 4.15Å
116	G	71.7	Confident	85.8	Confident	40 Å²	40	63.8 Å²	63.8	41%	0.412	37%	0.37	S	S	.	.			trans	77.3	151.1	-179.5	0	0	0	0	0	113.6	K113 A114 W120	K113-G116 PolarHBondContact O-N 3.48Å; A114-G116 VanDerWaalsContact C-N 3.3Å; G116-W120 PolarHBondContact O-NE1 3.29Å
117	G	67.5	Low	86.1	Confident	70 Å²	70	59.4 Å²	59.4	72%	0.722	34%	0.342	S	S	*	.	S	Bend	trans	94.5	170.1	-176.5	0	0	0	0	0	114.2
118	E	74.2	Confident	86.3	Confident	189 Å²	189	58 Å²	58	88%	0.883	34%	0.343	S	S	*	.	S	Bend	trans	-96.1	154.8	173.9	-62.7	-177.1	168.5	0	0	110.1
119	G	79.9	Confident	86.5	Confident	39 Å²	39	60.4 Å²	60.4	40%	0.402	36%	0.36	S	S	.	.	S	Bend	trans	99.5	7.2	172.3	0	0	0	0	0	115.9	P84 E121	P84-G119 VanDerWaalsContact CB-O 3.23Å; P84-G119 WeakPolarHBondContact CB-O 3.3Å; G119-E121 WeakPolarHBondContact CA-OE2 3.44Å; G119-E121 PolarHBondContact N-OE1 3.2Å; G119-E121 PolarHBondContact N-OE2 3.37Å; G119-E121 VanDerWaalsContact N-OE2 3.13Å
120	W	84.4	Confident	86.8	Confident	94 Å²	94	57.6 Å²	57.6	36%	0.356	35%	0.349	S	S	.	.			trans	-97.8	2.4	178.1	-60.6	108.4	0	0	0	113.7	P84 T112 G116 K122 L123	P84-W120 HydrophobicContact CB-CE3 4.42Å; P84-W120 HydrophobicContact CG-CE3 4.31Å; P84-W120 HydrophobicContact CG-CZ3 4.14Å; T112-W120 HydrophobicContact CG2-CB 4.14Å; T112-W120 WeakPolarHBondContact CG2-O 3.46Å; G116-W120 PolarHBondContact O-NE1 3.29Å; W120-K122 PolarHBondContact O-N 3.49Å; W120-L123 HydrophobicContact CD2-CD1 4.38Å; W120-L123 HydrophobicContact CE3-CD1 3.39Å; W120-L123 HydrophobicContact CE3-CG 4.22Å; W120-L123 HydrophobicContact CZ3-CD1 3.91Å; W120-L123 WeakPolarHBondContact O-CB 3.39Å; W120-L123 PolarHBondContact O-N 3.01Å; W120-L123 VanDerWaalsContact O-N 3.1Å
121	E	86.2	Confident	87.3	Confident	117 Å²	117	62.7 Å²	62.7	55%	0.547	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-60.5	-35.9	-172.5	-61.9	76.8	-167.9	0	0	111.6	G119 L123 S124	G119-E121 WeakPolarHBondContact CA-OE2 3.44Å; G119-E121 PolarHBondContact N-OE1 3.2Å; G119-E121 PolarHBondContact N-OE2 3.37Å; G119-E121 VanDerWaalsContact N-OE2 3.13Å; E121-L123 PolarHBondContact O-N 3.43Å; E121-S124 WeakPolarHBondContact O-CB 3.47Å; E121-S124 PolarHBondContact O-N 2.93Å; E121-S124 PolarHBondContact O-OG 3.31Å
122	K	89.8	Confident	87.8	Confident	41 Å²	41	63.7 Å²	63.7	18%	0.178	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-57.9	-35.5	177.9	-172.1	175	176.7	178.7	0	112.7	T85 D88 E92 W120 S124 L125	T85-K122 PolarHBondContact O-NZ 3.33Å; D88-K122 WeakPolarHBondContact O-CE 3.2Å; D88-K122 PolarHBondContact O-NZ 2.92Å; E92-K122 WeakPolarHBondContact OE1-CE 3.46Å; E92-K122 IonicContact OE1-NZ 2.66Å; W120-K122 PolarHBondContact O-N 3.49Å; K122-S124 PolarHBondContact O-N 3.32Å; K122-S124 VanDerWaalsContact O-N 3.14Å; K122-L125 WeakPolarHBondContact O-CB 3.42Å; K122-L125 PolarHBondContact O-N 3.38Å
123	L	89.8	Confident	88.2	Confident	15 Å²	15	65 Å²	65	8%	0.079	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-65	-17.9	178.7	-63.9	-174.6	0	0	0	113.6	I82 T112 W120 E121 F146	I82-L123 WeakPolarHBondContact O-CD2 3.19Å; T112-L123 HydrophobicContact CG2-CB 3.82Å; T112-L123 HydrophobicContact CG2-CD1 4.5Å; W120-L123 HydrophobicContact CD2-CD1 4.38Å; W120-L123 HydrophobicContact CE3-CD1 3.39Å; W120-L123 HydrophobicContact CE3-CG 4.22Å; W120-L123 HydrophobicContact CZ3-CD1 3.91Å; W120-L123 WeakPolarHBondContact O-CB 3.39Å; W120-L123 PolarHBondContact O-N 3.01Å; W120-L123 VanDerWaalsContact O-N 3.1Å; E121-L123 PolarHBondContact O-N 3.43Å; L123-F146 HydrophobicContact CB-CE2 4.05Å; L123-F146 HydrophobicContact CB-CZ 3.87Å; L123-F146 HydrophobicContact CD1-CE2 4.13Å; L123-F146 HydrophobicContact CD1-CZ 4.29Å
124	S	92.6	Very high	88.5	Confident	8 Å²	8	62.1 Å²	62.1	6%	0.056	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-84.2	-19	175.6	73.8	0	0	0	0	113.2	P104 H105 E121 K122 V126	P104-S124 CarbonylContact C-O 3.54Å; P104-S124 VanDerWaalsContact CA-O 3.29Å; P104-S124 WeakPolarHBondContact CA-O 3.25Å; H105-S124 PolarHBondContact N-O 3.08Å; E121-S124 WeakPolarHBondContact O-CB 3.47Å; E121-S124 PolarHBondContact O-N 2.93Å; E121-S124 PolarHBondContact O-OG 3.31Å; K122-S124 PolarHBondContact O-N 3.32Å; K122-S124 VanDerWaalsContact O-N 3.14Å; S124-V126 PolarHBondContact O-N 3.38Å
125	L	95.4	Very high	88.8	Confident	64 Å²	64	58.7 Å²	58.7	34%	0.335	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	103.9	178.2	-64.2	174.5	0	0	0	109.3	L102 P104 K122	L102-L125 HydrophobicContact CD2-CB 4.19Å; P104-L125 HydrophobicContact CB-CD2 4.36Å; P104-L125 HydrophobicContact CG-CD2 3.68Å; K122-L125 WeakPolarHBondContact O-CB 3.42Å; K122-L125 PolarHBondContact O-N 3.38Å
126	V	96.9	Very high	89.4	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	160.9	-179.5	-65.9	0	0	0	0	110.6	F91 L102 K103 H105 L108 S124 S128 A130 V149	F91-V126 HydrophobicContact CD1-CG1 4.06Å; F91-V126 HydrophobicContact CD2-CG1 4.32Å; F91-V126 HydrophobicContact CE1-CG1 3.96Å; F91-V126 HydrophobicContact CE2-CG1 4.2Å; F91-V126 HydrophobicContact CG-CG1 4.28Å; F91-V126 HydrophobicContact CZ-CG1 4.03Å; L102-V126 WeakPolarHBondContact CA-O 3.25Å; K103-V126 PolarHBondContact N-O 3.17Å; K103-V126 PolarHBondContact O-N 3.43Å; H105-V126 HydrophobicContact CB-CG2 3.74Å; L108-V126 HydrophobicContact CD1-CB 4.29Å; L108-V126 HydrophobicContact CD1-CG1 3.42Å; L108-V126 VanDerWaalsContact CD1-CG1 3.42Å; L108-V126 HydrophobicContact CD1-CG2 3.87Å; S124-V126 PolarHBondContact O-N 3.38Å; V126-S128 PolarHBondContact O-N 3.05Å; V126-A130 HydrophobicContact CB-CB 4.2Å; V126-A130 HydrophobicContact CG2-CB 3.97Å; V126-V149 HydrophobicContact CB-CG1 4.36Å; V126-V149 HydrophobicContact CG1-CG1 4.15Å; V126-V149 HydrophobicContact CG1-CG2 4.25Å
127	P	97.7	Very high	90.2	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	137.5	173.6	-25.8	35.5	0	0	0	111.4	V94 A95 D100 S129 A130 V151	V94-P127 HydrophobicContact CB-CG 4.46Å; V94-P127 HydrophobicContact CG1-CG 4.24Å; A95-P127 HydrophobicContact CB-CB 4.18Å; A95-P127 HydrophobicContact CB-CG 3.96Å; D100-P127 HydrophobicContact CB-CB 3.94Å; P127-S129 PolarHBondContact O-N 3.3Å; P127-A130 WeakPolarHBondContact O-CB 3.44Å; P127-A130 PolarHBondContact O-N 3.27Å; P127-V151 HydrophobicContact CB-CG2 3.71Å; P127-V151 HydrophobicContact CG-CG2 3.78Å
128	S	96.4	Very high	91	Very high	70 Å²	70	58.1 Å²	58.1	49%	0.49	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.8	-172.2	62.3	0	0	0	0	115.2	D100 E101 V126 A130	D100-S128 PolarHBondContact OD2-N 2.98Å; E101-S128 WeakPolarHBondContact O-CB 3.09Å; E101-S128 PolarHBondContact O-N 3.16Å; V126-S128 PolarHBondContact O-N 3.05Å; S128-A130 VanDerWaalsContact C-N 3.34Å
129	S	96.8	Very high	91.5	Very high	51 Å²	51	58 Å²	58	36%	0.357	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	11.1	175.8	70.1	0	0	0	0	114	D100 P127 V151	D100-S129 PolarHBondContact OD1-OG 2.94Å; D100-S129 WeakPolarHBondContact OD2-CB 3.5Å; D100-S129 PolarHBondContact OD2-N 3.2Å; D100-S129 PolarHBondContact OD2-OG 2.55Å; P127-S129 PolarHBondContact O-N 3.3Å; S129-V151 WeakPolarHBondContact OG-CG1 3.2Å
130	A	97.6	Very high	91.9	Very high	15 Å²	15	59.8 Å²	59.8	12%	0.124	30%	0.295	C	S	.	.			trans	-59.5	144.9	-179.8	0	0	0	0	0	112.8	V126 P127 S128 V149 S150 V151	V126-A130 HydrophobicContact CB-CB 4.2Å; V126-A130 HydrophobicContact CG2-CB 3.97Å; P127-A130 WeakPolarHBondContact O-CB 3.44Å; P127-A130 PolarHBondContact O-N 3.27Å; S128-A130 VanDerWaalsContact C-N 3.34Å; A130-V149 HydrophobicContact CB-CG1 3.84Å; A130-S150 CarbonylContact C-O 3.54Å; A130-S150 VanDerWaalsContact CA-O 3.27Å; A130-S150 WeakPolarHBondContact CA-O 3.48Å; A130-V151 HydrophobicContact CB-CG2 4.22Å
131	R	97.8	Very high	92	Very high	168 Å²	168	57.9 Å²	57.9	63%	0.634	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.6	170.1	-60	177.5	-178.4	172.9	-0.5	109.1	S150	R131-S150 PolarHBondContact N-O 3.32Å; R131-S150 PolarHBondContact O-N 2.78Å; R131-S150 PolarHBondContact O-OG 3.02Å
132	L	96.9	Very high	92.1	Very high	31 Å²	31	58.4 Å²	58.4	16%	0.162	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.8	179.6	-53.8	-175.2	0	0	0	110.1	H105 E107 L108 Y134 P147 V149	H105-L132 WeakPolarHBondContact CE1-CD1 3.38Å; E107-L132 HydrophobicContact CB-CD1 3.77Å; E107-L132 HydrophobicContact CG-CD1 4.5Å; L108-L132 HydrophobicContact CD1-CD2 4.03Å; L108-L132 HydrophobicContact CD2-CD1 4.26Å; L108-L132 HydrophobicContact CD2-CD2 4.1Å; L108-L132 HydrophobicContact CG-CD1 4.12Å; L108-L132 HydrophobicContact CG-CD2 4.09Å; L132-Y134 HydrophobicContact CB-CE2 4.21Å; L132-P147 HydrophobicContact CB-CB 3.91Å; L132-P147 HydrophobicContact CB-CG 3.97Å; L132-P147 HydrophobicContact CD1-CG 4.12Å; L132-P147 HydrophobicContact CD2-CG 3.98Å; L132-P147 HydrophobicContact CG-CG 4.24Å; L132-V149 HydrophobicContact CD2-CG2 3.9Å
133	H	95.6	Very high	91.9	Very high	38 Å²	38	60.8 Å²	60.8	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118	177.6	-54.9	-86.1	0	0	0	110.2	P147 L148 S150 L171 L174	H133-P147 WeakPolarHBondContact O-CA 3.4Å; H133-P147 WeakPolarHBondContact O-CB 3.24Å; H133-L148 HydrophobicContact CB-CB 4.3Å; H133-L148 PolarHBondContact CD2-O 3.26Å; H133-L148 PolarHBondContact N-O 3.43Å; H133-L148 PolarHBondContact O-N 2.92Å; H133-S150 PolarHBondContact CD2-OG 3.01Å; H133-S150 PolarHBondContact NE2-OG 2.78Å; H133-L171 HydrophobicContact CB-CD1 4.11Å; H133-L171 HydrophobicContact CB-CD2 4.19Å; H133-L174 HydrophobicContact CB-CD1 3.94Å
134	Y	91.9	Very high	91.8	Very high	102 Å²	102	61.4 Å²	61.4	40%	0.4	33%	0.328	S	S	.	.			trans	-98.8	115.5	174.7	-67.4	-89.3	0	0	0	109.6	E107 L132 P147	E107-Y134 PolarHBondContact OE2-OH 3.44Å; L132-Y134 HydrophobicContact CB-CE2 4.21Å; Y134-P147 HydrophobicContact CD1-CB 3.97Å; Y134-P147 HydrophobicContact CD2-CB 4.13Å; Y134-P147 HydrophobicContact CE1-CB 3.74Å; Y134-P147 HydrophobicContact CE1-CG 4.02Å; Y134-P147 HydrophobicContact CE2-CB 3.93Å; Y134-P147 HydrophobicContact CE2-CG 4.33Å; Y134-P147 HydrophobicContact CG-CB 4.16Å
135	G	88.3	Confident	91.4	Very high	5 Å²	5	70.3 Å²	70.3	5%	0.052	36%	0.361	C	S	.	.			trans	-98.4	175.2	171.6	0	0	0	0	0	111.7	P143 F144 G170	G135-P143 WeakPolarHBondContact O-CA 3.46Å; G135-F144 VanDerWaalsContact C-CD2 3.47Å; G135-F144 VanDerWaalsContact O-CD2 3.31Å; G135-F144 WeakPolarHBondContact O-CD2 3.46Å; G135-F144 PolarHBondContact O-N 2.87Å; G135-G170 WeakPolarHBondContact CA-O 3.36Å
136	T	90.2	Very high	91	Very high	73 Å²	73	69.5 Å²	69.5	45%	0.448	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-102.7	131.3	172.4	-57.3	0	0	0	0	109	P138 G141 G170	T136-P138 WeakPolarHBondContact O-CD 3.36Å; T136-G141 VanDerWaalsContact CG2-C 3.46Å; T136-G141 WeakPolarHBondContact CG2-O 3.38Å; T136-G170 WeakPolarHBondContact O-CA 3.5Å
137	D	88	Confident	90.8	Very high	18 Å²	18	69.7 Å²	69.7	10%	0.096	36%	0.356	C	S	.	.			trans	-67	116.9	174.3	-178.9	-11.7	0	0	0	109.2	R139 T140 G141 H142 F144	D137-R139 PolarHBondContact O-N 2.95Å; D137-R139 VanDerWaalsContact O-N 3.13Å; D137-R139 WeakPolarHBondContact OD1-CB 3.47Å; D137-R139 PolarHBondContact OD1-N 2.94Å; D137-T140 WeakPolarHBondContact CB-OG1 3.5Å; D137-T140 PolarHBondContact O-N 2.87Å; D137-T140 PolarHBondContact OD2-OG1 3.42Å; D137-G141 WeakPolarHBondContact O-CA 3.41Å; D137-G141 PolarHBondContact O-N 3.1Å; D137-H142 PolarHBondContact N-O 2.97Å; D137-F144 HydrophobicContact CB-CD1 4.07Å; D137-F144 HydrophobicContact CB-CE1 3.58Å; D137-F144 HydrophobicContact CB-CZ 4.16Å
138	P	84.2	Confident	90.8	Very high	79 Å²	79	69.9 Å²	69.9	51%	0.513	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.6	-178	27.6	-36.8	0	0	0	113	T136 E169	T136-P138 WeakPolarHBondContact O-CD 3.36Å; P138-E169 HydrophobicContact CG-CB 3.95Å
139	R	85.1	Confident	90.8	Very high	186 Å²	186	66.7 Å²	66.7	70%	0.702	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-33	-179.8	-65.7	-178.9	65.9	169.6	-2.2	113.1	D137	D137-R139 PolarHBondContact O-N 2.95Å; D137-R139 VanDerWaalsContact O-N 3.13Å; D137-R139 WeakPolarHBondContact OD1-CB 3.47Å; D137-R139 PolarHBondContact OD1-N 2.94Å
140	T	87.8	Confident	90.9	Very high	77 Å²	77	64.3 Å²	64.3	47%	0.472	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-18	-173.7	66.9	0	0	0	0	113.1	D137 H142	D137-T140 WeakPolarHBondContact CB-OG1 3.5Å; D137-T140 PolarHBondContact O-N 2.87Å; D137-T140 PolarHBondContact OD2-OG1 3.42Å; T140-H142 PolarHBondContact O-CD2 3.45Å; T140-H142 PolarHBondContact O-N 3.32Å; T140-H142 PolarHBondContact OG1-N 2.95Å
141	G	87.8	Confident	90.9	Very high	54 Å²	54	63.6 Å²	63.6	56%	0.557	31%	0.312	S	S	*	.	S	Bend	trans	71.6	2.7	-173	0	0	0	0	0	113.7	T136 D137	T136-G141 VanDerWaalsContact CG2-C 3.46Å; T136-G141 WeakPolarHBondContact CG2-O 3.38Å; D137-G141 WeakPolarHBondContact O-CA 3.41Å; D137-G141 PolarHBondContact O-N 3.1Å
142	H	87.8	Confident	90.9	Very high	128 Å²	128	62.3 Å²	62.3	59%	0.593	31%	0.307	S	S	*	.	S	Bend	trans	-94.9	150.2	179.2	-63.8	-56.2	0	0	0	111.5	D137 T140	D137-H142 PolarHBondContact N-O 2.97Å; T140-H142 PolarHBondContact O-CD2 3.45Å; T140-H142 PolarHBondContact O-N 3.32Å; T140-H142 PolarHBondContact OG1-N 2.95Å
143	P	86.2	Confident	91	Very high	91 Å²	91	62.3 Å²	62.3	59%	0.591	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-57.5	145.3	172	-23.3	33.9	0	0	0	112	G135 R145	G135-P143 WeakPolarHBondContact O-CA 3.46Å; P143-R145 PolarHBondContact O-N 2.98Å
144	F	87	Confident	91.1	Very high	28 Å²	28	60.5 Å²	60.5	12%	0.123	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-59.5	138	171.7	-68	-58.1	0	0	0	110.8	G135 D137 F146 R166	G135-F144 VanDerWaalsContact C-CD2 3.47Å; G135-F144 VanDerWaalsContact O-CD2 3.31Å; G135-F144 WeakPolarHBondContact O-CD2 3.46Å; G135-F144 PolarHBondContact O-N 2.87Å; D137-F144 HydrophobicContact CB-CD1 4.07Å; D137-F144 HydrophobicContact CB-CE1 3.58Å; D137-F144 HydrophobicContact CB-CZ 4.16Å; F144-F146 VanDerWaalsContact C-N 3.26Å; F144-F146 WeakPolarHBondContact CB-O 3.45Å; F144-F146 PolarHBondContact O-N 3.34Å; F144-R166 HydrophobicContact CE1-CB 4.23Å; F144-R166 HydrophobicContact CZ-CB 4.38Å; F144-R166 VanDerWaalsContact CZ-O 3.26Å; F144-R166 WeakPolarHBondContact CZ-O 3.37Å
145	R	84.6	Confident	91.5	Very high	195 Å²	195	56.8 Å²	56.8	74%	0.736	29%	0.285	S	S	*	.	S	Bend	trans	-71.9	-23.6	175.9	-63.9	-174.7	-178	-168.7	1.2	112.8	L115 P143	L115-R145 HydrophobicContact CD2-CB 4.45Å; P143-R145 PolarHBondContact O-N 2.98Å
146	F	86.8	Confident	92	Very high	47 Å²	47	56.7 Å²	56.7	21%	0.206	28%	0.283	C	S	.	.	S	Bend	trans	-128	129.7	179.2	-160.1	-85.1	0	0	0	108.7	L108 A111 T112 L115 L123 F144	L108-F146 HydrophobicContact CD2-CE1 4.05Å; L108-F146 HydrophobicContact CD2-CE2 4.01Å; L108-F146 HydrophobicContact CD2-CZ 3.68Å; A111-F146 HydrophobicContact CB-CD2 4.16Å; T112-F146 HydrophobicContact CG2-CE2 3.91Å; L115-F146 HydrophobicContact CD1-CD2 4.15Å; L123-F146 HydrophobicContact CB-CE2 4.05Å; L123-F146 HydrophobicContact CB-CZ 3.87Å; L123-F146 HydrophobicContact CD1-CE2 4.13Å; L123-F146 HydrophobicContact CD1-CZ 4.29Å; F144-F146 VanDerWaalsContact C-N 3.26Å; F144-F146 WeakPolarHBondContact CB-O 3.45Å; F144-F146 PolarHBondContact O-N 3.34Å
147	P	93	Very high	92.3	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.039	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-79.5	160.1	-175.6	32.9	-35.5	0	0	0	112	L108 L132 H133 Y134	L108-P147 HydrophobicContact CD2-CG 3.43Å; L108-P147 VanDerWaalsContact CD2-CG 3.43Å; L132-P147 HydrophobicContact CB-CB 3.91Å; L132-P147 HydrophobicContact CB-CG 3.97Å; L132-P147 HydrophobicContact CD1-CG 4.12Å; L132-P147 HydrophobicContact CD2-CG 3.98Å; L132-P147 HydrophobicContact CG-CG 4.24Å; H133-P147 WeakPolarHBondContact O-CA 3.4Å; H133-P147 WeakPolarHBondContact O-CB 3.24Å; Y134-P147 HydrophobicContact CD1-CB 3.97Å; Y134-P147 HydrophobicContact CD2-CB 4.13Å; Y134-P147 HydrophobicContact CE1-CB 3.74Å; Y134-P147 HydrophobicContact CE1-CG 4.02Å; Y134-P147 HydrophobicContact CE2-CB 3.93Å; Y134-P147 HydrophobicContact CE2-CG 4.33Å; Y134-P147 HydrophobicContact CG-CB 4.16Å
148	L	96.4	Very high	92.7	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.1	162.3	179.9	72.1	0	0	0	108.8	H133 Y155 L156 F157 V167 L171 L174	H133-L148 HydrophobicContact CB-CB 4.3Å; H133-L148 PolarHBondContact CD2-O 3.26Å; H133-L148 PolarHBondContact N-O 3.43Å; H133-L148 PolarHBondContact O-N 2.92Å; L148-Y155 HydrophobicContact CD2-CD1 3.99Å; L148-L156 WeakPolarHBondContact CD1-O 3.33Å; L148-F157 HydrophobicContact CD1-CD1 3.96Å; L148-F157 HydrophobicContact CD1-CD2 4.02Å; L148-F157 HydrophobicContact CD1-CE1 4.05Å; L148-F157 HydrophobicContact CD1-CE2 4.09Å; L148-F157 HydrophobicContact CD1-CG 3.94Å; L148-F157 HydrophobicContact CD1-CZ 4.11Å; L148-F157 HydrophobicContact CD2-CE1 4.15Å; L148-F157 HydrophobicContact CD2-CE2 4.05Å; L148-F157 HydrophobicContact CD2-CZ 3.7Å; L148-V167 HydrophobicContact CB-CG1 3.97Å; L148-V167 HydrophobicContact CD1-CG1 3.98Å; L148-V167 HydrophobicContact CD2-CG1 4.39Å; L148-V167 HydrophobicContact CG-CG1 4.34Å; L148-L171 HydrophobicContact CB-CD1 3.51Å; L148-L171 HydrophobicContact CD2-CD1 3.72Å; L148-L171 HydrophobicContact CG-CD1 4.27Å; L148-L174 HydrophobicContact CD2-CD1 4.41Å
149	V	97.8	Very high	93.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.6	176.8	-176.1	0	0	0	0	109.3	F91 L108 V126 A130 L132 L156	F91-V149 HydrophobicContact CE1-CB 3.77Å; F91-V149 HydrophobicContact CE1-CG1 3.81Å; F91-V149 HydrophobicContact CE1-CG2 4Å; F91-V149 HydrophobicContact CZ-CB 4.22Å; F91-V149 HydrophobicContact CZ-CG2 3.97Å; L108-V149 HydrophobicContact CD1-CG2 4.22Å; V126-V149 HydrophobicContact CB-CG1 4.36Å; V126-V149 HydrophobicContact CG1-CG1 4.15Å; V126-V149 HydrophobicContact CG1-CG2 4.25Å; A130-V149 HydrophobicContact CB-CG1 3.84Å; L132-V149 HydrophobicContact CD2-CG2 3.9Å; V149-L156 HydrophobicContact CB-CD1 4.4Å; V149-L156 HydrophobicContact CG1-CD1 4.25Å; V149-L156 VanDerWaalsContact O-CD1 3.31Å; V149-L156 WeakPolarHBondContact O-CD1 3.2Å; V149-L156 PolarHBondContact O-N 2.93Å
150	S	98.4	Very high	93.6	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151	172.6	67.2	0	0	0	0	112.2	A130 R131 H133 V154	A130-S150 CarbonylContact C-O 3.54Å; A130-S150 VanDerWaalsContact CA-O 3.27Å; A130-S150 WeakPolarHBondContact CA-O 3.48Å; R131-S150 PolarHBondContact N-O 3.32Å; R131-S150 PolarHBondContact O-N 2.78Å; R131-S150 PolarHBondContact O-OG 3.02Å; H133-S150 PolarHBondContact CD2-OG 3.01Å; H133-S150 PolarHBondContact NE2-OG 2.78Å; S150-V154 CarbonylContact C-O 3.5Å; S150-V154 WeakPolarHBondContact CA-O 3.44Å; S150-V154 VanDerWaalsContact CB-O 3.23Å; S150-V154 WeakPolarHBondContact CB-O 3.33Å
151	V	98.4	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.5	171.8	-176.9	0	0	0	0	108.1	V94 F98 P127 S129 A130 N153 V154	V94-V151 HydrophobicContact CG1-CB 3.78Å; V94-V151 HydrophobicContact CG1-CG1 4.34Å; V94-V151 HydrophobicContact CG1-CG2 3.8Å; F98-V151 HydrophobicContact CD2-CB 4.2Å; F98-V151 HydrophobicContact CD2-CG1 3.52Å; F98-V151 HydrophobicContact CE2-CB 4.24Å; F98-V151 HydrophobicContact CE2-CG1 3.96Å; F98-V151 HydrophobicContact CG-CG1 4.43Å; P127-V151 HydrophobicContact CB-CG2 3.71Å; P127-V151 HydrophobicContact CG-CG2 3.78Å; S129-V151 WeakPolarHBondContact OG-CG1 3.2Å; A130-V151 HydrophobicContact CB-CG2 4.22Å; V151-N153 PolarHBondContact O-N 3.32Å; V151-N153 VanDerWaalsContact O-N 3.12Å; V151-V154 PolarHBondContact N-O 3.02Å; V151-V154 WeakPolarHBondContact O-CB 3.38Å; V151-V154 PolarHBondContact O-N 2.89Å
152	R	97.6	Very high	94.3	Very high	141 Å²	141	49.7 Å²	49.7	53%	0.532	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-114.8	-170.9	-57.2	178.4	-175.6	-177.9	4.5	110.7	F98	F98-R152 VanDerWaalsContact CD1-CZ 3.45Å; F98-R152 PolarHBondContact O-NH2 3.41Å
153	N	98.2	Very high	94.5	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	13.7	176.8	65.5	-31.6	0	0	0	113.8	S70 F73 T74 V76 V151 Y155	S70-N153 WeakPolarHBondContact CB-OD1 3.45Å; S70-N153 PolarHBondContact O-ND2 2.92Å; S70-N153 VanDerWaalsContact O-ND2 3.08Å; S70-N153 PolarHBondContact OG-OD1 2.93Å; F73-N153 PolarHBondContact O-ND2 2.8Å; T74-N153 VanDerWaalsContact O-CB 3.27Å; T74-N153 WeakPolarHBondContact O-CB 3.46Å; T74-N153 PolarHBondContact O-ND2 2.67Å; V76-N153 PolarHBondContact N-O 2.82Å; V151-N153 PolarHBondContact O-N 3.32Å; V151-N153 VanDerWaalsContact O-N 3.12Å; N153-Y155 WeakPolarHBondContact O-CD2 3.42Å; N153-Y155 WeakPolarHBondContact O-CE2 3.35Å
154	V	98.8	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.2	-180	-172.2	0	0	0	0	109.8	V66 V76 T78 V94 F98 S150 V151	V66-V154 HydrophobicContact CG1-CG1 4.29Å; V66-V154 HydrophobicContact CG1-CG2 3.85Å; V76-V154 HydrophobicContact CB-CB 4.36Å; V76-V154 HydrophobicContact CB-CG1 4.29Å; V76-V154 HydrophobicContact CB-CG2 4.03Å; V76-V154 HydrophobicContact CG1-CG1 4.19Å; V76-V154 HydrophobicContact CG1-CG2 4.45Å; V76-V154 HydrophobicContact CG2-CG2 4.43Å; V76-V154 CarbonylContact O-C 3.48Å; V76-V154 VanDerWaalsContact O-CA 3.32Å; V76-V154 WeakPolarHBondContact O-CA 3.42Å; T78-V154 HydrophobicContact CG2-CG1 3.96Å; V94-V154 HydrophobicContact CG2-CG1 4.31Å; F98-V154 HydrophobicContact CE2-CB 4.4Å; F98-V154 HydrophobicContact CE2-CG2 3.71Å; F98-V154 HydrophobicContact CZ-CG2 3.56Å; S150-V154 CarbonylContact C-O 3.5Å; S150-V154 WeakPolarHBondContact CA-O 3.44Å; S150-V154 VanDerWaalsContact CB-O 3.23Å; S150-V154 WeakPolarHBondContact CB-O 3.33Å; V151-V154 PolarHBondContact N-O 3.02Å; V151-V154 WeakPolarHBondContact O-CB 3.38Å; V151-V154 PolarHBondContact O-N 2.89Å
155	Y	98.7	Very high	95.4	Very high	25 Å²	25	45.3 Å²	45.3	10%	0.098	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.8	-178.8	-60.1	-99.6	0	0	0	109.3	H75 V76 T78 L148 N153 L174 F175	H75-Y155 HydrophobicContact CB-CE2 4.39Å; H75-Y155 AromaticContact ND1-CE2 3.53Å; H75-Y155 AromaticContact ND1-CZ 3.99Å; V76-Y155 PolarHBondContact O-N 2.94Å; T78-Y155 PolarHBondContact N-O 3.42Å; T78-Y155 PolarHBondContact OG1-O 3.08Å; L148-Y155 HydrophobicContact CD2-CD1 3.99Å; N153-Y155 WeakPolarHBondContact O-CD2 3.42Å; N153-Y155 WeakPolarHBondContact O-CE2 3.35Å; Y155-L174 HydrophobicContact CD1-CD1 4.49Å; Y155-L174 HydrophobicContact CE1-CD1 4.11Å; Y155-F175 HydrophobicContact CD1-CE1 4.07Å; Y155-F175 AromaticContact CD1-CZ 3.8Å; Y155-F175 HydrophobicContact CD1-CZ 3.8Å; Y155-F175 AromaticContact CD2-CE1 3.7Å; Y155-F175 HydrophobicContact CD2-CE1 3.7Å; Y155-F175 HydrophobicContact CD2-CZ 4.15Å; Y155-F175 HydrophobicContact CE1-CE1 4.1Å; Y155-F175 HydrophobicContact CE1-CZ 4.1Å; Y155-F175 AromaticContact CE2-CE1 3.77Å; Y155-F175 HydrophobicContact CE2-CE1 3.77Å; Y155-F175 HydrophobicContact CE2-CZ 4.46Å; Y155-F175 AromaticContact CG-CE1 3.86Å; Y155-F175 HydrophobicContact CG-CE1 3.86Å; Y155-F175 AromaticContact CG-CZ 3.82Å; Y155-F175 HydrophobicContact CG-CZ 3.82Å; Y155-F175 AromaticContact CZ-CE1 3.95Å
156	L	98.4	Very high	95.9	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	95.8	-169.8	-61	98.2	0	0	0	112	T78 I82 T90 F91 V94 L148 V149	T78-L156 WeakPolarHBondContact OG1-CA 3.34Å; I82-L156 HydrophobicContact CG2-CB 4.24Å; I82-L156 HydrophobicContact CG2-CD2 4.38Å; T90-L156 HydrophobicContact CG2-CD2 3.86Å; F91-L156 HydrophobicContact CD1-CD2 3.53Å; F91-L156 HydrophobicContact CE1-CB 4.13Å; F91-L156 HydrophobicContact CE1-CD1 4.45Å; F91-L156 HydrophobicContact CE1-CD2 3.69Å; F91-L156 HydrophobicContact CE1-CG 4.32Å; V94-L156 HydrophobicContact CB-CD2 4.33Å; V94-L156 HydrophobicContact CG2-CD2 3.82Å; V94-L156 HydrophobicContact CG2-CG 4.47Å; L148-L156 WeakPolarHBondContact CD1-O 3.33Å; V149-L156 HydrophobicContact CB-CD1 4.4Å; V149-L156 HydrophobicContact CG1-CD1 4.25Å; V149-L156 VanDerWaalsContact O-CD1 3.31Å; V149-L156 WeakPolarHBondContact O-CD1 3.2Å; V149-L156 PolarHBondContact O-N 2.93Å
157	F	98	Very high	96.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	150.4	-179.2	-69.9	-99.5	0	0	0	112.3	L77 T78 A79 G80 L148 L164 V167 L168 F175	L77-F157 HydrophobicContact CB-CD2 4.28Å; L77-F157 HydrophobicContact CB-CE2 4.25Å; L77-F157 HydrophobicContact CD2-CD2 4.24Å; L77-F157 HydrophobicContact CD2-CE2 3.55Å; L77-F157 HydrophobicContact CD2-CZ 4.04Å; L77-F157 HydrophobicContact CG-CD2 4.39Å; L77-F157 HydrophobicContact CG-CE2 3.85Å; T78-F157 WeakPolarHBondContact O-CA 3.39Å; T78-F157 VanDerWaalsContact O-CB 3.23Å; T78-F157 WeakPolarHBondContact O-CB 3.49Å; T78-F157 PolarHBondContact O-N 3.39Å; A79-F157 WeakPolarHBondContact CA-O 3.34Å; G80-F157 PolarHBondContact N-O 2.88Å; G80-F157 VanDerWaalsContact N-O 3.12Å; L148-F157 HydrophobicContact CD1-CD1 3.96Å; L148-F157 HydrophobicContact CD1-CD2 4.02Å; L148-F157 HydrophobicContact CD1-CE1 4.05Å; L148-F157 HydrophobicContact CD1-CE2 4.09Å; L148-F157 HydrophobicContact CD1-CG 3.94Å; L148-F157 HydrophobicContact CD1-CZ 4.11Å; L148-F157 HydrophobicContact CD2-CE1 4.15Å; L148-F157 HydrophobicContact CD2-CE2 4.05Å; L148-F157 HydrophobicContact CD2-CZ 3.7Å; F157-L164 HydrophobicContact CB-CD1 3.83Å; F157-L164 HydrophobicContact CB-CG 4.1Å; F157-L164 HydrophobicContact CD1-CG 4.05Å; F157-L164 HydrophobicContact CG-CD1 4.41Å; F157-L164 HydrophobicContact CG-CG 4.35Å; F157-V167 HydrophobicContact CD1-CB 4.33Å; F157-V167 HydrophobicContact CD1-CG1 4.04Å; F157-V167 HydrophobicContact CE1-CB 4.32Å; F157-V167 HydrophobicContact CE1-CG1 3.82Å; F157-L168 HydrophobicContact CE1-CB 3.86Å; F157-L168 HydrophobicContact CE1-CD1 4.2Å; F157-L168 HydrophobicContact CZ-CB 4.44Å; F157-L168 HydrophobicContact CZ-CD1 3.91Å; F157-F175 HydrophobicContact CE2-CZ 4.16Å; F157-F175 HydrophobicContact CZ-CE2 4.04Å; F157-F175 AromaticContact CZ-CZ 3.97Å; F157-F175 HydrophobicContact CZ-CZ 3.97Å
158	P	95.8	Very high	96.4	Very high	23 Å²	23	37.9 Å²	37.9	15%	0.149	19%	0.189	C	C	.	.			trans	-64.3	151.6	171	28.3	-35	0	0	0	111.5	I82 L163 L164	I82-P158 HydrophobicContact CD1-CB 4.06Å; I82-P158 HydrophobicContact CG1-CB 4.47Å; P158-L163 HydrophobicContact CB-CB 4.24Å; P158-L163 HydrophobicContact CG-CB 3.71Å; P158-L164 HydrophobicContact CG-CB 4.45Å
159	G	94.2	Very high	96.3	Very high	33 Å²	33	40.9 Å²	40.9	34%	0.34	20%	0.203	S	C	.	.	S	Bend	trans	-74.1	-25.5	176	0	0	0	0	0	113.8	N34 P161	N34-G159 PolarHBondContact ND2-O 3.36Å; G159-P161 WeakPolarHBondContact O-CD 3.48Å
160	I	94.8	Very high	96.2	Very high	103 Å²	103	41.8 Å²	41.8	53%	0.528	21%	0.213	S	C	.	.	S	Bend	trans	-67.4	118.7	-179.2	-59.9	174	0	0	0	109.6	E162 L163 L164	I160-E162 PolarHBondContact O-N 3.48Å; I160-L163 HydrophobicContact CB-CB 4.32Å; I160-L163 HydrophobicContact CB-CD1 4.1Å; I160-L163 HydrophobicContact CB-CG 4.19Å; I160-L163 HydrophobicContact CD1-CD1 3.95Å; I160-L163 HydrophobicContact CG2-CD1 4.4Å; I160-L163 HydrophobicContact CG2-CG 4.13Å; I160-L163 PolarHBondContact O-N 2.9Å; I160-L163 VanDerWaalsContact O-N 3.1Å; I160-L164 PolarHBondContact O-N 3.13Å
161	P	95.2	Very high	96	Very high	45 Å²	45	42.4 Å²	42.4	29%	0.292	22%	0.215	S	C	.	.	H	α-helix	trans	-57.1	-43.9	-171.7	-28.4	35.4	0	0	0	114.5	N34 G159 L163 L164 Q165	N34-P161 VanDerWaalsContact OD1-CA 3.26Å; N34-P161 WeakPolarHBondContact OD1-CA 3.46Å; N34-P161 WeakPolarHBondContact OD1-CB 3.46Å; G159-P161 WeakPolarHBondContact O-CD 3.48Å; P161-L163 VanDerWaalsContact C-N 3.29Å; P161-L163 PolarHBondContact O-N 3.08Å; P161-L164 PolarHBondContact O-N 3.38Å; P161-Q165 WeakPolarHBondContact O-CB 2.97Å; P161-Q165 WeakPolarHBondContact O-CG 3.48Å; P161-Q165 PolarHBondContact O-N 2.92Å
162	E	93.9	Very high	95.8	Very high	136 Å²	136	45.2 Å²	45.2	64%	0.636	23%	0.228	S	C	*	.	H	α-helix	trans	-62.4	-36.2	-179.7	-63.5	-176.4	-179.6	0	0	112.9	I160 R166	I160-E162 PolarHBondContact O-N 3.48Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.3Å; E162-R166 PolarHBondContact O-N 3.34Å
163	L	93.1	Very high	95.5	Very high	76 Å²	76	41.4 Å²	41.4	40%	0.398	23%	0.233	S	C	.	.	H	α-helix	trans	-73.4	-45.3	177.7	-65.3	-176.9	0	0	0	110.9	P158 I160 P161 Q165 R166 V167	P158-L163 HydrophobicContact CB-CB 4.24Å; P158-L163 HydrophobicContact CG-CB 3.71Å; I160-L163 HydrophobicContact CB-CB 4.32Å; I160-L163 HydrophobicContact CB-CD1 4.1Å; I160-L163 HydrophobicContact CB-CG 4.19Å; I160-L163 HydrophobicContact CD1-CD1 3.95Å; I160-L163 HydrophobicContact CG2-CD1 4.4Å; I160-L163 HydrophobicContact CG2-CG 4.13Å; I160-L163 PolarHBondContact O-N 2.9Å; I160-L163 VanDerWaalsContact O-N 3.1Å; P161-L163 VanDerWaalsContact C-N 3.29Å; P161-L163 PolarHBondContact O-N 3.08Å; L163-Q165 VanDerWaalsContact C-N 3.3Å; L163-Q165 PolarHBondContact O-N 3.49Å; L163-R166 PolarHBondContact O-N 3.46Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.27Å; L163-V167 PolarHBondContact O-N 3.41Å
164	L	96.1	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-46.5	176.9	180	151.1	0	0	0	110.9	N34 F37 L38 A79 F157 P158 I160 P161 R166 V167 L168	N34-L164 HydrophobicContact CB-CD1 4.12Å; F37-L164 HydrophobicContact CD1-CD2 3.52Å; F37-L164 HydrophobicContact CE1-CD2 3.8Å; L38-L164 HydrophobicContact CD1-CD1 4.25Å; L38-L164 HydrophobicContact CD2-CD2 4.02Å; L38-L164 HydrophobicContact CG-CD2 4.09Å; A79-L164 HydrophobicContact CB-CD1 3.52Å; F157-L164 HydrophobicContact CB-CD1 3.83Å; F157-L164 HydrophobicContact CB-CG 4.1Å; F157-L164 HydrophobicContact CD1-CG 4.05Å; F157-L164 HydrophobicContact CG-CD1 4.41Å; F157-L164 HydrophobicContact CG-CG 4.35Å; P158-L164 HydrophobicContact CG-CB 4.45Å; I160-L164 PolarHBondContact O-N 3.13Å; P161-L164 PolarHBondContact O-N 3.38Å; L164-R166 PolarHBondContact O-N 3.49Å; L164-V167 PolarHBondContact O-N 3.42Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 PolarHBondContact O-N 2.92Å
165	Q	95.8	Very high	95.2	Very high	78 Å²	78	42.8 Å²	42.8	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-58.8	-49.7	179	-72.1	176.2	26.7	0	0	111.5	F37 P161 L163 V167 L168 E169	F37-Q165 HydrophobicContact CD1-CG 3.71Å; F37-Q165 HydrophobicContact CD2-CG 3.73Å; F37-Q165 HydrophobicContact CE1-CB 4.05Å; F37-Q165 HydrophobicContact CE1-CG 3.71Å; F37-Q165 HydrophobicContact CE2-CB 4.18Å; F37-Q165 HydrophobicContact CE2-CG 3.73Å; F37-Q165 HydrophobicContact CG-CG 3.71Å; F37-Q165 HydrophobicContact CZ-CB 3.86Å; F37-Q165 HydrophobicContact CZ-CG 3.72Å; P161-Q165 WeakPolarHBondContact O-CB 2.97Å; P161-Q165 WeakPolarHBondContact O-CG 3.48Å; P161-Q165 PolarHBondContact O-N 2.92Å; L163-Q165 VanDerWaalsContact C-N 3.3Å; L163-Q165 PolarHBondContact O-N 3.49Å; Q165-V167 PolarHBondContact O-N 2.86Å; Q165-L168 PolarHBondContact O-N 2.99Å; Q165-E169 VanDerWaalsContact O-CB 3.31Å; Q165-E169 WeakPolarHBondContact O-CB 3.4Å; Q165-E169 WeakPolarHBondContact O-CG 3.24Å; Q165-E169 PolarHBondContact O-N 3.23Å
166	R	93.9	Very high	95	Very high	73 Å²	73	47.4 Å²	47.4	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-57.4	-50.1	176.7	-76.6	173.4	169.8	-177.2	-2.2	111.7	F144 E162 L163 L164 E169 G170	F144-R166 HydrophobicContact CE1-CB 4.23Å; F144-R166 HydrophobicContact CZ-CB 4.38Å; F144-R166 VanDerWaalsContact CZ-O 3.26Å; F144-R166 WeakPolarHBondContact CZ-O 3.37Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.3Å; E162-R166 PolarHBondContact O-N 3.34Å; L163-R166 PolarHBondContact O-N 3.46Å; L164-R166 PolarHBondContact O-N 3.49Å; R166-E169 PolarHBondContact O-N 2.84Å; R166-G170 PolarHBondContact O-N 3.4Å
167	V	95.3	Very high	94.8	Very high	20 Å²	20	48.2 Å²	48.2	12%	0.121	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-46.3	-176.1	174.1	0	0	0	0	111.1	L148 F157 L163 L164 Q165 G170 L171	L148-V167 HydrophobicContact CB-CG1 3.97Å; L148-V167 HydrophobicContact CD1-CG1 3.98Å; L148-V167 HydrophobicContact CD2-CG1 4.39Å; L148-V167 HydrophobicContact CG-CG1 4.34Å; F157-V167 HydrophobicContact CD1-CB 4.33Å; F157-V167 HydrophobicContact CD1-CG1 4.04Å; F157-V167 HydrophobicContact CE1-CB 4.32Å; F157-V167 HydrophobicContact CE1-CG1 3.82Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.27Å; L163-V167 PolarHBondContact O-N 3.41Å; L164-V167 PolarHBondContact O-N 3.42Å; Q165-V167 PolarHBondContact O-N 2.86Å; V167-G170 PolarHBondContact O-N 3.32Å; V167-L171 HydrophobicContact CG1-CD1 3.95Å; V167-L171 WeakPolarHBondContact O-CB 3.46Å; V167-L171 PolarHBondContact O-N 3.05Å; V167-L171 VanDerWaalsContact O-N 3.14Å
168	L	96.1	Very high	94.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-43.8	179.2	-177	62.5	0	0	0	111.7	F37 L38 T41 F157 L164 Q165 G170 L171 K172 F175	F37-L168 HydrophobicContact CD1-CD2 4.28Å; F37-L168 HydrophobicContact CE1-CB 4.08Å; F37-L168 HydrophobicContact CE1-CD2 3.56Å; F37-L168 HydrophobicContact CE1-CG 4.36Å; F37-L168 HydrophobicContact CZ-CD2 4.25Å; L38-L168 HydrophobicContact CD2-CD2 3.82Å; T41-L168 HydrophobicContact CG2-CD2 3.55Å; T41-L168 HydrophobicContact CG2-CG 3.98Å; F157-L168 HydrophobicContact CE1-CB 3.86Å; F157-L168 HydrophobicContact CE1-CD1 4.2Å; F157-L168 HydrophobicContact CZ-CB 4.44Å; F157-L168 HydrophobicContact CZ-CD1 3.91Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 PolarHBondContact O-N 2.92Å; Q165-L168 PolarHBondContact O-N 2.99Å; L168-G170 PolarHBondContact O-N 3.46Å; L168-L171 CarbonylContact O-C 3.51Å; L168-L171 PolarHBondContact O-N 3.12Å; L168-K172 WeakPolarHBondContact O-CG 3.26Å; L168-K172 PolarHBondContact O-N 3.26Å; L168-F175 HydrophobicContact CD1-CD2 3.65Å; L168-F175 HydrophobicContact CD1-CE2 3.55Å; L168-F175 HydrophobicContact CD1-CZ 4.48Å
169	E	94.8	Very high	94	Very high	69 Å²	69	56.9 Å²	56.9	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-45.9	176.4	-75.8	-69	144.2	0	0	111.9	F37 P138 Q165 R166 L171 K172	F37-E169 HydrophobicContact CZ-CG 4.29Å; P138-E169 HydrophobicContact CG-CB 3.95Å; Q165-E169 VanDerWaalsContact O-CB 3.31Å; Q165-E169 WeakPolarHBondContact O-CB 3.4Å; Q165-E169 WeakPolarHBondContact O-CG 3.24Å; Q165-E169 PolarHBondContact O-N 3.23Å; R166-E169 PolarHBondContact O-N 2.84Å; E169-L171 PolarHBondContact O-N 2.96Å; E169-K172 WeakPolarHBondContact O-CG 3.17Å; E169-K172 WeakPolarHBondContact OE1-CE 3.39Å; E169-K172 IonicContact OE1-NZ 3.48Å; E169-K172 PolarHBondContact OE1-NZ 2.91Å; E169-K172 WeakPolarHBondContact OE2-CE 3.35Å; E169-K172 IonicContact OE2-NZ 2.63Å; E169-K172 PolarHBondContact OE2-NZ 3.33Å
170	G	94.4	Very high	93.8	Very high	21 Å²	21	56.4 Å²	56.4	22%	0.216	32%	0.321	C	S	.	.	H	α-helix	trans	-71.9	-10.9	178.5	0	0	0	0	0	115	G135 T136 R166 V167 L168	G135-G170 WeakPolarHBondContact CA-O 3.36Å; T136-G170 WeakPolarHBondContact O-CA 3.5Å; R166-G170 PolarHBondContact O-N 3.4Å; V167-G170 PolarHBondContact O-N 3.32Å; L168-G170 PolarHBondContact O-N 3.46Å
171	L	95.2	Very high	93.6	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.073	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	19.2	-176.7	-71.5	173.8	0	0	0	113.5	H133 L148 V167 L168 E169 G173 L174	H133-L171 HydrophobicContact CB-CD1 4.11Å; H133-L171 HydrophobicContact CB-CD2 4.19Å; L148-L171 HydrophobicContact CB-CD1 3.51Å; L148-L171 HydrophobicContact CD2-CD1 3.72Å; L148-L171 HydrophobicContact CG-CD1 4.27Å; V167-L171 HydrophobicContact CG1-CD1 3.95Å; V167-L171 WeakPolarHBondContact O-CB 3.46Å; V167-L171 PolarHBondContact O-N 3.05Å; V167-L171 VanDerWaalsContact O-N 3.14Å; L168-L171 CarbonylContact O-C 3.51Å; L168-L171 PolarHBondContact O-N 3.12Å; E169-L171 PolarHBondContact O-N 2.96Å; L171-G173 PolarHBondContact O-N 2.94Å; L171-L174 HydrophobicContact CB-CD1 3.98Å; L171-L174 HydrophobicContact CB-CG 4.35Å; L171-L174 HydrophobicContact CD1-CD1 4.25Å; L171-L174 HydrophobicContact CD2-CD1 4.08Å; L171-L174 HydrophobicContact CD2-CG 4.45Å; L171-L174 HydrophobicContact CG-CD1 4.35Å; L171-L174 WeakPolarHBondContact O-CB 3.28Å; L171-L174 PolarHBondContact O-N 3.5Å
172	K	93	Very high	93.5	Very high	59 Å²	59	57.3 Å²	57.3	26%	0.257	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-50.2	-35.8	179.8	-77.5	179.9	160.7	169.6	0	114.1	L45 L168 E169 L174 F175 Q176	L45-K172 HydrophobicContact CD1-CB 4.17Å; L45-K172 HydrophobicContact CD1-CG 4.06Å; L45-K172 HydrophobicContact CD2-CB 3.92Å; L45-K172 HydrophobicContact CD2-CD 4.16Å; L45-K172 HydrophobicContact CD2-CG 4.11Å; L168-K172 WeakPolarHBondContact O-CG 3.26Å; L168-K172 PolarHBondContact O-N 3.26Å; E169-K172 WeakPolarHBondContact O-CG 3.17Å; E169-K172 WeakPolarHBondContact OE1-CE 3.39Å; E169-K172 IonicContact OE1-NZ 3.48Å; E169-K172 PolarHBondContact OE1-NZ 2.91Å; E169-K172 WeakPolarHBondContact OE2-CE 3.35Å; E169-K172 IonicContact OE2-NZ 2.63Å; E169-K172 PolarHBondContact OE2-NZ 3.33Å; K172-L174 PolarHBondContact O-N 3.02Å; K172-L174 VanDerWaalsContact O-N 3.1Å; K172-F175 PolarHBondContact O-N 3.33Å; K172-Q176 PolarHBondContact O-N 3.27Å; K172-Q176 VanDerWaalsContact O-N 3.12Å
173	G	93	Very high	93.4	Very high	62 Å²	62	52.1 Å²	52.1	64%	0.639	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-58.5	-21.8	178.7	0	0	0	0	0	114.4	L171 F175	L171-G173 PolarHBondContact O-N 2.94Å; G173-F175 VanDerWaalsContact C-N 3.28Å; G173-F175 PolarHBondContact O-N 3.5Å
174	L	94.7	Very high	93.5	Very high	56 Å²	56	51.7 Å²	51.7	29%	0.293	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-69.8	-25.6	175	-64.6	-178.6	0	0	0	113.3	H133 L148 Y155 L171 K172	H133-L174 HydrophobicContact CB-CD1 3.94Å; L148-L174 HydrophobicContact CD2-CD1 4.41Å; Y155-L174 HydrophobicContact CD1-CD1 4.49Å; Y155-L174 HydrophobicContact CE1-CD1 4.11Å; L171-L174 HydrophobicContact CB-CD1 3.98Å; L171-L174 HydrophobicContact CB-CG 4.35Å; L171-L174 HydrophobicContact CD1-CD1 4.25Å; L171-L174 HydrophobicContact CD2-CD1 4.08Å; L171-L174 HydrophobicContact CD2-CG 4.45Å; L171-L174 HydrophobicContact CG-CD1 4.35Å; L171-L174 WeakPolarHBondContact O-CB 3.28Å; L171-L174 PolarHBondContact O-N 3.5Å; K172-L174 PolarHBondContact O-N 3.02Å; K172-L174 VanDerWaalsContact O-N 3.1Å
175	F	96	Very high	93.4	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-6.6	-172.4	-52.2	-74.7	0	0	0	112.6	L42 L45 V47 H75 L77 Y155 F157 L168 K172 G173 N177	L42-F175 HydrophobicContact CD2-CB 4.04Å; L42-F175 HydrophobicContact CD2-CD1 4.4Å; L42-F175 HydrophobicContact CD2-CG 4.16Å; L45-F175 HydrophobicContact CD1-CB 4.02Å; V47-F175 WeakPolarHBondContact CG2-O 3.41Å; H75-F175 HydrophobicContact CB-CD1 4.35Å; H75-F175 HydrophobicContact CB-CE1 4.47Å; H75-F175 AromaticContact CG-CD1 3.94Å; H75-F175 AromaticContact ND1-CD1 3.99Å; L77-F175 HydrophobicContact CD1-CE1 4.21Å; L77-F175 HydrophobicContact CD2-CE1 4.35Å; L77-F175 HydrophobicContact CD2-CZ 4.28Å; L77-F175 HydrophobicContact CG-CE1 4.34Å; Y155-F175 HydrophobicContact CD1-CE1 4.07Å; Y155-F175 AromaticContact CD1-CZ 3.8Å; Y155-F175 HydrophobicContact CD1-CZ 3.8Å; Y155-F175 AromaticContact CD2-CE1 3.7Å; Y155-F175 HydrophobicContact CD2-CE1 3.7Å; Y155-F175 HydrophobicContact CD2-CZ 4.15Å; Y155-F175 HydrophobicContact CE1-CE1 4.1Å; Y155-F175 HydrophobicContact CE1-CZ 4.1Å; Y155-F175 AromaticContact CE2-CE1 3.77Å; Y155-F175 HydrophobicContact CE2-CE1 3.77Å; Y155-F175 HydrophobicContact CE2-CZ 4.46Å; Y155-F175 AromaticContact CG-CE1 3.86Å; Y155-F175 HydrophobicContact CG-CE1 3.86Å; Y155-F175 AromaticContact CG-CZ 3.82Å; Y155-F175 HydrophobicContact CG-CZ 3.82Å; Y155-F175 AromaticContact CZ-CE1 3.95Å; F157-F175 HydrophobicContact CE2-CZ 4.16Å; F157-F175 HydrophobicContact CZ-CE2 4.04Å; F157-F175 AromaticContact CZ-CZ 3.97Å; F157-F175 HydrophobicContact CZ-CZ 3.97Å; L168-F175 HydrophobicContact CD1-CD2 3.65Å; L168-F175 HydrophobicContact CD1-CE2 3.55Å; L168-F175 HydrophobicContact CD1-CZ 4.48Å; K172-F175 PolarHBondContact O-N 3.33Å; G173-F175 VanDerWaalsContact C-N 3.28Å; G173-F175 PolarHBondContact O-N 3.5Å; F175-N177 PolarHBondContact O-N 2.9Å
176	Q	93.7	Very high	93.4	Very high	122 Å²	122	55.3 Å²	55.3	57%	0.57	31%	0.313	S	S	*	.			trans	-65.2	126.1	-173.6	-168	174.6	12.1	0	0	111.8	K172	K172-Q176 PolarHBondContact O-N 3.27Å; K172-Q176 VanDerWaalsContact O-N 3.12Å
177	N	93.3	Very high	93.4	Very high	20 Å²	20	52.8 Å²	52.8	11%	0.107	31%	0.305	C	S	.	.			trans	-118.3	87.9	172.6	177.3	22.6	0	0	0	109.3	V14 L45 G46 V47 F175 A179 V180	V14-N177 HydrophobicContact CB-CB 4.11Å; V14-N177 HydrophobicContact CG2-CB 3.9Å; L45-N177 PolarHBondContact O-N 3.1Å; G46-N177 WeakPolarHBondContact O-CB 3.36Å; G46-N177 PolarHBondContact O-ND2 3.48Å; V47-N177 HydrophobicContact CG2-CB 4.47Å; F175-N177 PolarHBondContact O-N 2.9Å; N177-A179 PolarHBondContact O-N 3.16Å; N177-A179 VanDerWaalsContact O-N 3.14Å; N177-A179 PolarHBondContact OD1-N 3.49Å; N177-V180 VanDerWaalsContact ND2-CG2 3.33Å; N177-V180 WeakPolarHBondContact ND2-CG2 3.41Å; N177-V180 PolarHBondContact O-N 3.42Å
178	P	89.2	Confident	93.5	Very high	117 Å²	117	52.7 Å²	52.7	76%	0.76	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.4	-176.6	30.4	-35.9	0	0	0	113.4	V180	P178-V180 VanDerWaalsContact C-N 3.29Å
179	A	89.4	Confident	93.5	Very high	88 Å²	88	52.7 Å²	52.7	73%	0.727	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.6	178.4	0	0	0	0	0	113.2	N177	N177-A179 PolarHBondContact O-N 3.16Å; N177-A179 VanDerWaalsContact O-N 3.14Å; N177-A179 PolarHBondContact OD1-N 3.49Å
180	V	89.5	Confident	93.5	Very high	24 Å²	24	51.7 Å²	51.7	15%	0.145	31%	0.306	C	S	.	.			trans	-126.6	129.6	-179.2	176.6	0	0	0	0	109	G46 N177 P178 F182 E233	G46-V180 VanDerWaalsContact CA-O 3.27Å; G46-V180 WeakPolarHBondContact CA-O 3.43Å; N177-V180 VanDerWaalsContact ND2-CG2 3.33Å; N177-V180 WeakPolarHBondContact ND2-CG2 3.41Å; N177-V180 PolarHBondContact O-N 3.42Å; P178-V180 VanDerWaalsContact C-N 3.29Å; V180-F182 HydrophobicContact CG1-CD1 4.46Å; V180-F182 HydrophobicContact CG1-CD2 4.38Å; V180-F182 HydrophobicContact CG1-CE1 4Å; V180-F182 HydrophobicContact CG1-CE2 3.95Å; V180-F182 HydrophobicContact CG1-CZ 3.73Å; V180-E233 HydrophobicContact CG1-CG 4.1Å
181	Q	90.8	Very high	93.4	Very high	128 Å²	128	51.3 Å²	51.3	60%	0.598	30%	0.301	S	S	*	.			trans	-123.3	130.1	169.8	-174.5	173	-8.1	0	0	108.1	H183 E233	Q181-H183 VanDerWaalsContact CD-CE1 3.48Å; Q181-H183 WeakPolarHBondContact CG-NE2 3.21Å; Q181-H183 PolarHBondContact NE2-CE1 3.05Å; Q181-H183 PolarHBondContact O-CD2 3.21Å; Q181-E233 CarbonylContact O-C 3.59Å; Q181-E233 VanDerWaalsContact O-CA 3.3Å; Q181-E233 WeakPolarHBondContact O-CA 3.31Å; Q181-E233 VanDerWaalsContact O-O 3.13Å
182	F	91.6	Very high	93.2	Very high	38 Å²	38	54.9 Å²	54.9	17%	0.167	32%	0.32	C	S	.	.			trans	-95	131	174.7	-62	-75.2	0	0	0	110	R43 Q48 V180 E233	R43-F182 HydrophobicContact CG-CB 4.06Å; R43-F182 HydrophobicContact CG-CD2 3.68Å; R43-F182 HydrophobicContact CG-CE2 4.4Å; R43-F182 HydrophobicContact CG-CG 4.05Å; R43-F182 VanDerWaalsContact CZ-CB 3.47Å; R43-F182 VanDerWaalsContact O-CD2 3.29Å; R43-F182 WeakPolarHBondContact O-CD2 3.46Å; Q48-F182 HydrophobicContact CB-CZ 4.1Å; V180-F182 HydrophobicContact CG1-CD1 4.46Å; V180-F182 HydrophobicContact CG1-CD2 4.38Å; V180-F182 HydrophobicContact CG1-CE1 4Å; V180-F182 HydrophobicContact CG1-CE2 3.95Å; V180-F182 HydrophobicContact CG1-CZ 3.73Å; F182-E233 HydrophobicContact CD1-CG 3.86Å; F182-E233 HydrophobicContact CE1-CG 3.75Å
183	H	93.4	Very high	93.2	Very high	27 Å²	27	55 Å²	55	13%	0.125	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.9	177.7	-58.2	-96.3	0	0	0	108.8	Q181 D231 S232 E235 L238	Q181-H183 VanDerWaalsContact CD-CE1 3.48Å; Q181-H183 WeakPolarHBondContact CG-NE2 3.21Å; Q181-H183 PolarHBondContact NE2-CE1 3.05Å; Q181-H183 PolarHBondContact O-CD2 3.21Å; H183-D231 WeakPolarHBondContact O-CA 3.42Å; H183-S232 PolarHBondContact N-O 2.93Å; H183-S232 PolarHBondContact O-N 3.38Å; H183-E235 HydrophobicContact CB-CG 4.35Å; H183-E235 WeakPolarHBondContact CE1-CG 3.39Å; H183-E235 IonicContact CE1-OE1 2.79Å; H183-E235 PolarHBondContact CE1-OE1 3.44Å; H183-E235 WeakPolarHBondContact ND1-CG 3.43Å; H183-E235 IonicContact ND1-OE1 3.58Å; H183-E235 PolarHBondContact ND1-OE1 2.84Å; H183-L238 HydrophobicContact CB-CD1 3.35Å
184	S	93.8	Very high	93.2	Very high	68 Å²	68	55.5 Å²	55.5	48%	0.476	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.6	179	-54.3	0	0	0	0	110.3	R43 L230 D231	R43-S184 PolarHBondContact NH2-OG 2.64Å; S184-L230 CarbonylContact C-O 3.51Å; S184-L230 WeakPolarHBondContact CA-O 3.26Å; S184-D231 WeakPolarHBondContact CB-OD1 3.12Å; S184-D231 PolarHBondContact OG-OD1 3.28Å
185	K	94.2	Very high	93.2	Very high	66 Å²	66	56 Å²	56	29%	0.287	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.1	169.4	-72	-172.4	-177.5	-178.9	0	109.5	L230 L238 E239 L242	K185-L230 HydrophobicContact CB-CB 4.32Å; K185-L230 HydrophobicContact CB-CD1 4.44Å; K185-L230 PolarHBondContact N-O 3.17Å; K185-L230 PolarHBondContact O-N 3.48Å; K185-L238 HydrophobicContact CD-CB 4.11Å; K185-L238 HydrophobicContact CG-CB 4.44Å; K185-L238 HydrophobicContact CG-CD1 4.31Å; K185-E239 VanDerWaalsContact NZ-CG 3.3Å; K185-E239 IonicContact NZ-OE1 2.77Å; K185-L242 HydrophobicContact CD-CD2 4.48Å
186	E	95.5	Very high	93.2	Very high	88 Å²	88	55.9 Å²	55.9	41%	0.411	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144	176.2	-61.5	-171.2	139.9	0	0	110.4	Y188 K227 L228 T229	E186-Y188 HydrophobicContact CB-CE2 4.09Å; E186-Y188 PolarHBondContact OE2-OH 3.27Å; E186-K227 IonicContact OE1-NZ 3.04Å; E186-K227 PolarHBondContact OE1-NZ 2.91Å; E186-L228 WeakPolarHBondContact CA-O 3.45Å; E186-T229 HydrophobicContact CG-CG2 4.41Å
187	L	95.3	Very high	93.3	Very high	20 Å²	20	52.1 Å²	52.1	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.9	174.2	-69.4	159.1	0	0	0	108.9	K227 L228 L230 L242 L245 L254	L187-K227 CarbonylContact O-C 3.55Å; L187-K227 WeakPolarHBondContact O-CA 3.14Å; L187-L228 HydrophobicContact CB-CB 4.15Å; L187-L228 PolarHBondContact N-O 3.23Å; L187-L228 PolarHBondContact O-N 2.93Å; L187-L230 HydrophobicContact CD1-CD1 4Å; L187-L230 HydrophobicContact CD1-CG 4.33Å; L187-L242 HydrophobicContact CD1-CD1 3.78Å; L187-L242 HydrophobicContact CD2-CD1 3.19Å; L187-L242 HydrophobicContact CG-CD1 3.89Å; L187-L245 HydrophobicContact CD1-CD1 3.84Å; L187-L254 HydrophobicContact CB-CD2 4.47Å; L187-L254 HydrophobicContact CD2-CD2 4.09Å
188	Y	96.6	Very high	93.5	Very high	18 Å²	18	54.9 Å²	54.9	7%	0.071	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.8	-177.7	-62	-85.5	0	0	0	108.9	E186 Y224 K227 V255 Y257	E186-Y188 HydrophobicContact CB-CE2 4.09Å; E186-Y188 PolarHBondContact OE2-OH 3.27Å; Y188-Y224 AromaticContact CD1-CD1 3.47Å; Y188-Y224 HydrophobicContact CD1-CD1 3.47Å; Y188-Y224 VanDerWaalsContact CD1-CD1 3.47Å; Y188-Y224 AromaticContact CD1-CD2 3.93Å; Y188-Y224 HydrophobicContact CD1-CD2 3.93Å; Y188-Y224 AromaticContact CD1-CE1 3.46Å; Y188-Y224 HydrophobicContact CD1-CE1 3.46Å; Y188-Y224 VanDerWaalsContact CD1-CE1 3.46Å; Y188-Y224 AromaticContact CD1-CE2 3.93Å; Y188-Y224 HydrophobicContact CD1-CE2 3.93Å; Y188-Y224 AromaticContact CD1-CG 3.72Å; Y188-Y224 HydrophobicContact CD1-CG 3.72Å; Y188-Y224 AromaticContact CD1-CZ 3.71Å; Y188-Y224 HydrophobicContact CE1-CD1 4.22Å; Y188-Y224 AromaticContact CE1-CE1 3.74Å; Y188-Y224 HydrophobicContact CE1-CE1 3.74Å; Y188-Y224 HydrophobicContact CE1-CE2 4.34Å; Y188-Y224 AromaticContact CE1-CZ 3.83Å; Y188-Y224 HydrophobicContact CG-CD1 4.16Å; Y188-Y224 HydrophobicContact CG-CE1 4.5Å; Y188-Y224 HydrophobicContact CG-CG 4.35Å; Y188-K227 HydrophobicContact CD1-CB 4.29Å; Y188-K227 HydrophobicContact CD1-CG 4.1Å; Y188-K227 HydrophobicContact CE1-CB 4.27Å; Y188-K227 HydrophobicContact CE1-CD 3.72Å; Y188-K227 HydrophobicContact CE1-CG 3.75Å; Y188-V255 PolarHBondContact O-N 3.18Å; Y188-Y257 AromaticContact CD1-CD1 3.68Å; Y188-Y257 HydrophobicContact CD1-CD1 3.68Å; Y188-Y257 HydrophobicContact CD1-CE1 4.43Å; Y188-Y257 HydrophobicContact CD1-CG 4.29Å; Y188-Y257 HydrophobicContact CD2-CD1 4.01Å; Y188-Y257 HydrophobicContact CD2-CG 4.39Å; Y188-Y257 AromaticContact CE1-CD1 3.55Å; Y188-Y257 HydrophobicContact CE1-CD1 3.55Å; Y188-Y257 HydrophobicContact CE1-CE1 4.02Å; Y188-Y257 AromaticContact CE2-CD1 3.94Å; Y188-Y257 HydrophobicContact CE2-CD1 3.94Å; Y188-Y257 AromaticContact CG-CD1 3.89Å; Y188-Y257 HydrophobicContact CG-CD1 3.89Å; Y188-Y257 HydrophobicContact CG-CG 4.18Å; Y188-Y257 AromaticContact CZ-CD1 3.7Å
189	V	96.4	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.8	-171	-167.8	0	0	0	0	110.1	A191 I196 Q225 V226 L228 L249 S253 L254	V189-A191 HydrophobicContact CG1-CB 3.85Å; V189-A191 PolarHBondContact O-N 2.84Å; V189-I196 HydrophobicContact CB-CD1 4.4Å; V189-I196 HydrophobicContact CG1-CD1 4.24Å; V189-Q225 PolarHBondContact O-N 2.89Å; V189-V226 PolarHBondContact N-O 3.19Å; V189-V226 PolarHBondContact O-N 3.1Å; V189-L228 HydrophobicContact CG2-CD1 3.78Å; V189-L228 HydrophobicContact CG2-CG 4.04Å; V189-L249 HydrophobicContact CG1-CD2 4.47Å; V189-L249 HydrophobicContact CG2-CD1 4.09Å; V189-S253 CarbonylContact C-O 3.48Å; V189-S253 WeakPolarHBondContact CA-O 3.21Å; V189-L254 HydrophobicContact CG2-CD2 4.22Å
190	A	94.3	Very high	94.2	Very high	48 Å²	48	47.1 Å²	47.1	40%	0.397	28%	0.276	S	S	.	.			trans	-87	51.3	172	0	0	0	0	0	111.3	S253 V255	A190-S253 PolarHBondContact N-O 2.93Å; A190-V255 HydrophobicContact CB-CG2 3.66Å
191	A	92.3	Very high	94.6	Very high	12 Å²	12	48.9 Å²	48.9	10%	0.099	29%	0.293	C	S	.	.	S	Bend	trans	-140.6	152.5	174.6	0	0	0	0	0	109.8	V189 I196 Q225 V226 P250	V189-A191 HydrophobicContact CG1-CB 3.85Å; V189-A191 PolarHBondContact O-N 2.84Å; A191-I196 HydrophobicContact CB-CG2 3.98Å; A191-Q225 VanDerWaalsContact C-OE1 3.32Å; A191-Q225 WeakPolarHBondContact O-CB 3.42Å; A191-V226 WeakPolarHBondContact O-CG2 3.47Å; A191-P250 HydrophobicContact CB-CG 4.45Å
192	D	90.9	Very high	94.9	Very high	90 Å²	90	48 Å²	48	48%	0.481	29%	0.289	S	S	.	.			trans	-62.9	139.3	178.6	179.2	-78.8	0	0	0	110.6	A194 S195 I196	D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 2.82Å; D192-A194 WeakPolarHBondContact OD1-CA 3.46Å; D192-A194 WeakPolarHBondContact OD1-CB 3.37Å; D192-A194 PolarHBondContact OD1-N 3.34Å; D192-S195 WeakPolarHBondContact O-CB 3.44Å; D192-S195 PolarHBondContact O-N 3.16Å; D192-S195 PolarHBondContact O-OG 2.96Å; D192-I196 PolarHBondContact O-N 3.02Å
193	E	93.2	Very high	95.1	Very high	60 Å²	60	46.2 Å²	46.2	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-57.4	-42	-177.3	-172.2	174.4	-151	0	0	112.6	S195 I196 A197 S215 P217 V226	E193-S195 PolarHBondContact O-N 2.7Å; E193-I196 WeakPolarHBondContact O-CG1 3.48Å; E193-I196 PolarHBondContact O-N 2.83Å; E193-A197 WeakPolarHBondContact O-CB 3.21Å; E193-A197 PolarHBondContact O-N 2.78Å; E193-S215 WeakPolarHBondContact OE1-CB 3.41Å; E193-S215 PolarHBondContact OE1-OG 3.16Å; E193-P217 WeakPolarHBondContact OE2-CG 3.03Å; E193-V226 HydrophobicContact CB-CG2 3.71Å; E193-V226 HydrophobicContact CG-CG2 4.35Å
194	A	93.8	Very high	95.2	Very high	74 Å²	74	48 Å²	48	61%	0.612	29%	0.29	S	S	*	.	H	α-helix	trans	-64.4	-31.3	179.6	0	0	0	0	0	111.8	D192 I196	D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 2.82Å; D192-A194 WeakPolarHBondContact OD1-CA 3.46Å; D192-A194 WeakPolarHBondContact OD1-CB 3.37Å; D192-A194 PolarHBondContact OD1-N 3.34Å; A194-I196 VanDerWaalsContact C-N 3.33Å
195	S	93.8	Very high	95.3	Very high	65 Å²	65	48.8 Å²	48.8	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-70.3	-28.7	177.7	77.8	0	0	0	0	113.5	D192 E193	D192-S195 WeakPolarHBondContact O-CB 3.44Å; D192-S195 PolarHBondContact O-N 3.16Å; D192-S195 PolarHBondContact O-OG 2.96Å; E193-S195 PolarHBondContact O-N 2.7Å
196	I	95.9	Very high	95.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-101.8	-15.4	-179	63.8	172.8	0	0	0	113.2	V189 A191 D192 E193 A194 P198 I199 L200 V226 L228 L249 P250	V189-I196 HydrophobicContact CB-CD1 4.4Å; V189-I196 HydrophobicContact CG1-CD1 4.24Å; A191-I196 HydrophobicContact CB-CG2 3.98Å; D192-I196 PolarHBondContact O-N 3.02Å; E193-I196 WeakPolarHBondContact O-CG1 3.48Å; E193-I196 PolarHBondContact O-N 2.83Å; A194-I196 VanDerWaalsContact C-N 3.33Å; I196-P198 VanDerWaalsContact C-CD 3.44Å; I196-P198 VanDerWaalsContact C-N 3.34Å; I196-I199 WeakPolarHBondContact O-CA 3.45Å; I196-I199 WeakPolarHBondContact O-CB 3.48Å; I196-I199 PolarHBondContact O-N 2.9Å; I196-L200 HydrophobicContact CD1-CD1 4.28Å; I196-L200 HydrophobicContact CG1-CD1 4.26Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 2.87Å; I196-L200 VanDerWaalsContact O-N 3.1Å; I196-V226 HydrophobicContact CD1-CB 4.2Å; I196-V226 HydrophobicContact CD1-CG1 4.23Å; I196-V226 HydrophobicContact CD1-CG2 4.29Å; I196-L228 HydrophobicContact CD1-CD2 4.25Å; I196-L249 HydrophobicContact CB-CD2 4.02Å; I196-L249 HydrophobicContact CG2-CD2 3.79Å; I196-P250 HydrophobicContact CG2-CG 4.24Å
197	A	96.8	Very high	95.3	Very high	44 Å²	44	48 Å²	48	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-50.8	-41.2	-178.2	0	0	0	0	0	114.7	E193 I199 L200 A201	E193-A197 WeakPolarHBondContact O-CB 3.21Å; E193-A197 PolarHBondContact O-N 2.78Å; A197-I199 VanDerWaalsContact C-N 3.34Å; A197-I199 PolarHBondContact O-N 2.85Å; A197-L200 PolarHBondContact O-N 2.79Å; A197-A201 PolarHBondContact O-N 2.85Å
198	P	97.3	Very high	95.2	Very high	77 Å²	77	48.6 Å²	48.6	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-40.3	175.2	-24.2	35.4	0	0	0	113.1	I196 L200 A201 E202	I196-P198 VanDerWaalsContact C-CD 3.44Å; I196-P198 VanDerWaalsContact C-N 3.34Å; P198-L200 VanDerWaalsContact C-N 3.34Å; P198-L200 PolarHBondContact O-N 2.87Å; P198-A201 PolarHBondContact O-N 3.49Å; P198-E202 WeakPolarHBondContact O-CG 3.16Å; P198-E202 PolarHBondContact O-N 2.91Å
199	I	97.1	Very high	94.8	Very high	29 Å²	29	60.2 Å²	60.2	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-41.5	178.3	-58	164.2	0	0	0	110	I196 A197 E202 A203 L245 R248 L249	I196-I199 WeakPolarHBondContact O-CA 3.45Å; I196-I199 WeakPolarHBondContact O-CB 3.48Å; I196-I199 PolarHBondContact O-N 2.9Å; A197-I199 VanDerWaalsContact C-N 3.34Å; A197-I199 PolarHBondContact O-N 2.85Å; I199-E202 PolarHBondContact O-N 3.47Å; I199-A203 WeakPolarHBondContact O-CB 3.5Å; I199-A203 PolarHBondContact O-N 2.66Å; I199-L245 HydrophobicContact CG2-CD2 4.22Å; I199-R248 WeakPolarHBondContact CD1-O 3.46Å; I199-R248 HydrophobicContact CG2-CB 3.77Å; I199-L249 HydrophobicContact CD1-CD2 4.5Å
200	L	96.7	Very high	94.6	Very high	13 Å²	13	66 Å²	66	7%	0.068	37%	0.373	C	S	.	.	H	α-helix	trans	-66.1	-40.1	177.7	-55.5	-176.1	0	0	0	111.5	I196 A197 P198 A203 Q204 L213 L228 L245	I196-L200 HydrophobicContact CD1-CD1 4.28Å; I196-L200 HydrophobicContact CG1-CD1 4.26Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 2.87Å; I196-L200 VanDerWaalsContact O-N 3.1Å; A197-L200 PolarHBondContact O-N 2.79Å; P198-L200 VanDerWaalsContact C-N 3.34Å; P198-L200 PolarHBondContact O-N 2.87Å; L200-A203 PolarHBondContact O-N 2.79Å; L200-Q204 WeakPolarHBondContact O-CB 3.3Å; L200-Q204 PolarHBondContact O-N 2.79Å; L200-L213 HydrophobicContact CB-CD2 3.85Å; L200-L213 HydrophobicContact CD2-CD2 4.06Å; L200-L213 HydrophobicContact CG-CD2 4.49Å; L200-L213 WeakPolarHBondContact O-CD2 3.47Å; L200-L228 HydrophobicContact CD1-CD2 3.65Å; L200-L228 HydrophobicContact CD2-CD1 3.73Å; L200-L228 HydrophobicContact CD2-CD2 4.01Å; L200-L245 HydrophobicContact CD2-CD2 3.91Å
201	A	96.5	Very high	94.5	Very high	62 Å²	62	63.9 Å²	63.9	51%	0.512	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-43	176.1	0	0	0	0	0	111.9	A197 P198 Q204 A205	A197-A201 PolarHBondContact O-N 2.85Å; P198-A201 PolarHBondContact O-N 3.49Å; A201-Q204 PolarHBondContact O-N 2.97Å; A201-A205 WeakPolarHBondContact O-CB 3.45Å; A201-A205 PolarHBondContact O-N 3.12Å
202	E	97.1	Very high	94.6	Very high	110 Å²	110	65 Å²	65	51%	0.514	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-42.8	174.2	-72.8	177.9	-163.7	0	0	112.1	P198 I199 A205 H206	P198-E202 WeakPolarHBondContact O-CG 3.16Å; P198-E202 PolarHBondContact O-N 2.91Å; I199-E202 PolarHBondContact O-N 3.47Å; E202-A205 PolarHBondContact O-N 3.04Å; E202-H206 WeakPolarHBondContact O-CB 3.2Å; E202-H206 PolarHBondContact O-N 3.14Å
203	A	96.1	Very high	94.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-49.1	175.8	0	0	0	0	0	111.3	I199 L200 A205 H206 F207 L213 Y244 L245	I199-A203 WeakPolarHBondContact O-CB 3.5Å; I199-A203 PolarHBondContact O-N 2.66Å; L200-A203 PolarHBondContact O-N 2.79Å; A203-A205 VanDerWaalsContact C-N 3.29Å; A203-A205 PolarHBondContact O-N 3.31Å; A203-H206 WeakPolarHBondContact O-CB 3.33Å; A203-H206 PolarHBondContact O-N 2.77Å; A203-H206 VanDerWaalsContact O-N 3.08Å; A203-F207 VanDerWaalsContact O-CD2 3.24Å; A203-F207 WeakPolarHBondContact O-CD2 3.29Å; A203-F207 PolarHBondContact O-N 3.02Å; A203-L213 HydrophobicContact CB-CD2 3.97Å; A203-Y244 HydrophobicContact CB-CD1 3.97Å; A203-Y244 HydrophobicContact CB-CE1 3.75Å; A203-L245 HydrophobicContact CB-CD2 3.95Å
204	Q	95.1	Very high	94.9	Very high	65 Å²	65	60 Å²	60	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-36.8	178.9	-175.6	60.4	75.2	0	0	112.1	L200 A201 G208 L211	L200-Q204 WeakPolarHBondContact O-CB 3.3Å; L200-Q204 PolarHBondContact O-N 2.79Å; A201-Q204 PolarHBondContact O-N 2.97Å; Q204-G208 PolarHBondContact NE2-O 2.63Å; Q204-G208 WeakPolarHBondContact O-CA 3.27Å; Q204-G208 PolarHBondContact O-N 2.57Å; Q204-L211 PolarHBondContact NE2-O 2.95Å
205	A	95.8	Very high	95	Very high	84 Å²	84	58.5 Å²	58.5	69%	0.694	33%	0.331	S	S	*	.	H	α-helix	trans	-67.2	-36.7	173.9	0	0	0	0	0	112.4	A201 E202 A203	A201-A205 WeakPolarHBondContact O-CB 3.45Å; A201-A205 PolarHBondContact O-N 3.12Å; E202-A205 PolarHBondContact O-N 3.04Å; A203-A205 VanDerWaalsContact C-N 3.29Å; A203-A205 PolarHBondContact O-N 3.31Å
206	H	95.3	Very high	95.1	Very high	126 Å²	126	61.3 Å²	61.3	58%	0.583	33%	0.332	S	S	*	.	H	α-helix	trans	-69.1	-46.8	179	-174.8	71.4	0	0	0	112.8	E202 A203 Y244	E202-H206 WeakPolarHBondContact O-CB 3.2Å; E202-H206 PolarHBondContact O-N 3.14Å; A203-H206 WeakPolarHBondContact O-CB 3.33Å; A203-H206 PolarHBondContact O-N 2.77Å; A203-H206 VanDerWaalsContact O-N 3.08Å; H206-Y244 HydrophobicContact CB-CE2 4.36Å
207	F	94.8	Very high	95.1	Very high	12 Å²	12	64.2 Å²	64.2	5%	0.053	35%	0.351	C	S	.	.	H	α-helix	trans	-86.1	-22.7	-177.4	-67.6	-77.9	0	0	0	113.5	A203 R209 R210 L211 E240 C241 Y244	A203-F207 VanDerWaalsContact O-CD2 3.24Å; A203-F207 WeakPolarHBondContact O-CD2 3.29Å; A203-F207 PolarHBondContact O-N 3.02Å; F207-R209 PolarHBondContact O-N 3.18Å; F207-R210 WeakPolarHBondContact O-CB 3.46Å; F207-R210 PolarHBondContact O-N 3.15Å; F207-L211 HydrophobicContact CB-CB 3.73Å; F207-L211 HydrophobicContact CB-CD2 4.31Å; F207-L211 HydrophobicContact CD2-CD2 4.46Å; F207-L211 HydrophobicContact CG-CB 4.34Å; F207-L211 HydrophobicContact CG-CD2 4.44Å; F207-E240 HydrophobicContact CE1-CB 3.67Å; F207-E240 HydrophobicContact CZ-CB 4.03Å; F207-C241 HydrophobicContact CD1-CB 4.47Å; F207-C241 HydrophobicContact CD2-CB 3.93Å; F207-C241 HydrophobicContact CE1-CB 4.11Å; F207-C241 HydrophobicContact CE2-CB 3.53Å; F207-C241 HydrophobicContact CG-CB 4.41Å; F207-C241 HydrophobicContact CZ-CB 3.65Å; F207-Y244 HydrophobicContact CE2-CD2 4.21Å; F207-Y244 HydrophobicContact CE2-CG 4.03Å; F207-Y244 HydrophobicContact CZ-CD2 4.46Å; F207-Y244 HydrophobicContact CZ-CG 4.44Å
208	G	92.7	Very high	94.8	Very high	31 Å²	31	64.7 Å²	64.7	32%	0.32	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	56.2	-134.2	176.9	0	0	0	0	0	112.4	Q204 R210 L211	Q204-G208 PolarHBondContact NE2-O 2.63Å; Q204-G208 WeakPolarHBondContact O-CA 3.27Å; Q204-G208 PolarHBondContact O-N 2.57Å; G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 3.2Å; G208-L211 VanDerWaalsContact O-O 3.04Å
209	R	89.4	Confident	94.2	Very high	263 Å²	263	72.1 Å²	72.1	99%	0.992	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-74.4	-9.6	-177.1	-65	-176	-179.1	-178.3	0.3	114.7	F207 L211	F207-R209 PolarHBondContact O-N 3.18Å; R209-L211 PolarHBondContact O-N 3.11Å
210	R	90.8	Very high	93.6	Very high	121 Å²	121	73.4 Å²	73.4	46%	0.457	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-73.1	-16.4	179.1	-67.1	174.3	63.6	-154.5	-2.4	112.4	F207 G208 S232 P237	F207-R210 WeakPolarHBondContact O-CB 3.46Å; F207-R210 PolarHBondContact O-N 3.15Å; G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 3.2Å; R210-S232 PolarHBondContact O-OG 3Å; R210-P237 HydrophobicContact CB-CG 4.33Å
211	L	93.5	Very high	93.3	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.016	39%	0.39	C	S	.	.			trans	-147.9	127.1	-175	-172.1	120	0	0	0	110.5	Q204 F207 G208 R209 L213 L230 D231 P237 L238 C241	Q204-L211 PolarHBondContact NE2-O 2.95Å; F207-L211 HydrophobicContact CB-CB 3.73Å; F207-L211 HydrophobicContact CB-CD2 4.31Å; F207-L211 HydrophobicContact CD2-CD2 4.46Å; F207-L211 HydrophobicContact CG-CB 4.34Å; F207-L211 HydrophobicContact CG-CD2 4.44Å; G208-L211 VanDerWaalsContact O-O 3.04Å; R209-L211 PolarHBondContact O-N 3.11Å; L211-L213 HydrophobicContact CD2-CB 4.18Å; L211-L230 HydrophobicContact CD1-CB 4.42Å; L211-L230 HydrophobicContact CD2-CD2 4.36Å; L211-D231 CarbonylContact C-O 3.52Å; L211-D231 WeakPolarHBondContact CA-O 3.45Å; L211-P237 HydrophobicContact CD1-CB 4.08Å; L211-P237 WeakPolarHBondContact CD1-O 3.32Å; L211-L238 HydrophobicContact CD1-CD2 3.77Å; L211-C241 HydrophobicContact CD1-CB 3.7Å; L211-C241 HydrophobicContact CD2-CB 3.99Å; L211-C241 VanDerWaalsContact CD2-SG 3.53Å
212	G	94	Very high	93.1	Very high	36 Å²	36	71.8 Å²	71.8	37%	0.371	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.9	162.8	0	0	0	0	0	109.8	L230 D231	G212-L230 CarbonylContact O-C 3.57Å; G212-L230 WeakPolarHBondContact O-CA 3.31Å; G212-D231 PolarHBondContact N-O 2.79Å; G212-D231 PolarHBondContact O-N 2.99Å
213	L	96.1	Very high	92.9	Very high	31 Å²	31	67 Å²	67	16%	0.162	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120	171	177.2	63	0	0	0	109.2	L200 A203 L211 T229 L230 L245	L200-L213 HydrophobicContact CB-CD2 3.85Å; L200-L213 HydrophobicContact CD2-CD2 4.06Å; L200-L213 HydrophobicContact CG-CD2 4.49Å; L200-L213 WeakPolarHBondContact O-CD2 3.47Å; A203-L213 HydrophobicContact CB-CD2 3.97Å; L211-L213 HydrophobicContact CD2-CB 4.18Å; L213-T229 WeakPolarHBondContact CA-O 3.47Å; L213-L230 HydrophobicContact CD1-CD2 3.34Å; L213-L245 HydrophobicContact CD1-CD1 4.24Å
214	G	95.2	Very high	92.9	Very high	13 Å²	13	68.2 Å²	68.2	13%	0.134	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.4	172.3	0	0	0	0	0	111.6	L228 T229	G214-L228 CarbonylContact O-C 3.5Å; G214-L228 WeakPolarHBondContact O-CA 3.34Å; G214-T229 PolarHBondContact N-O 3.31Å; G214-T229 PolarHBondContact O-N 3.37Å
215	S	96	Very high	92.8	Very high	43 Å²	43	69.7 Å²	69.7	30%	0.301	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.2	167.5	62	0	0	0	0	110.1	E193	E193-S215 WeakPolarHBondContact OE1-CB 3.41Å; E193-S215 PolarHBondContact OE1-OG 3.16Å
216	Y	95.3	Very high	92.9	Very high	124 Å²	124	65.7 Å²	65.7	49%	0.486	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	104.1	-176.4	-56.1	-85.2	0	0	0	108.7	K227 T229	Y216-K227 PolarHBondContact N-O 3.03Å; Y216-K227 PolarHBondContact O-N 2.99Å; Y216-T229 HydrophobicContact CD2-CG2 4.02Å; Y216-T229 HydrophobicContact CE2-CG2 3.7Å; Y216-T229 WeakPolarHBondContact CE2-OG1 3.19Å
217	P	95.2	Very high	93	Very high	61 Å²	61	62.4 Å²	62.4	40%	0.396	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	140.5	175.4	29.4	-34.7	0	0	0	110.3	E193 Q225	E193-P217 WeakPolarHBondContact OE2-CG 3.03Å; P217-Q225 CarbonylContact C-O 3.45Å; P217-Q225 WeakPolarHBondContact CA-O 3.28Å
218	D	91.4	Very high	93.1	Very high	55 Å²	55	61.8 Å²	61.8	29%	0.294	31%	0.308	S	S	.	.			trans	-129.5	99.4	178.3	-172.8	-15.8	0	0	0	109.1	G220 S221 Y224 Q225	D218-G220 PolarHBondContact O-N 3.45Å; D218-G220 PolarHBondContact OD1-N 3.28Å; D218-S221 PolarHBondContact OD1-N 3.02Å; D218-S221 VanDerWaalsContact OD1-N 3.12Å; D218-Y224 HydrophobicContact CB-CD2 4.29Å; D218-Y224 HydrophobicContact CB-CE2 3.49Å; D218-Y224 VanDerWaalsContact CB-CE2 3.49Å; D218-Y224 PolarHBondContact OD2-OH 3.05Å; D218-Q225 PolarHBondContact N-O 3.12Å
219	W	83.4	Confident	93.3	Very high	233 Å²	233	61 Å²	61	88%	0.883	30%	0.297	S	S	*	.	S	Bend	trans	-82.9	-8.3	-175.5	-58	10	0	0	0	112
220	G	84.9	Confident	93.6	Very high	56 Å²	56	48.5 Å²	48.5	58%	0.577	25%	0.25	S	S	*	.	S	Bend	trans	-94.9	-17.1	178.7	0	0	0	0	0	113.5	D218	D218-G220 PolarHBondContact O-N 3.45Å; D218-G220 PolarHBondContact OD1-N 3.28Å
221	S	90.4	Very high	93.8	Very high	21 Å²	21	44.9 Å²	44.9	15%	0.147	24%	0.24	C	C	.	.			trans	-69.9	135.6	-179.9	179.2	0	0	0	0	112.5	D218 Y223 Y224	D218-S221 PolarHBondContact OD1-N 3.02Å; D218-S221 VanDerWaalsContact OD1-N 3.12Å; S221-Y223 VanDerWaalsContact C-N 3.26Å; S221-Y223 PolarHBondContact OG-N 3.34Å; S221-Y223 VanDerWaalsContact OG-N 3.15Å; S221-Y224 VanDerWaalsContact CB-O 3.32Å; S221-Y224 WeakPolarHBondContact CB-O 3.39Å; S221-Y224 WeakPolarHBondContact OG-CD1 3.46Å; S221-Y224 WeakPolarHBondContact OG-CE1 3.1Å; S221-Y224 PolarHBondContact OG-N 3.34Å; S221-Y224 PolarHBondContact OG-O 3.4Å
222	N	92.3	Very high	93.8	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.102	24%	0.242	C	C	.	.	S	Bend	trans	-78.8	-11.1	171.4	-53.4	110	0	0	0	113	R433 Y439 D444	N222-R433 PolarHBondContact O-NH1 3.4Å; N222-Y439 HydrophobicContact CB-CD1 4.36Å; N222-Y439 HydrophobicContact CB-CE1 3.8Å; N222-Y439 HydrophobicContact CB-CE2 4.04Å; N222-Y439 WeakPolarHBondContact ND2-CD2 3.5Å; N222-Y439 WeakPolarHBondContact ND2-CE2 3.38Å; N222-Y439 PolarHBondContact ND2-O 3.39Å; N222-Y439 PolarHBondContact OD1-N 3.04Å; N222-Y439 PolarHBondContact OD1-O 3.36Å; N222-Y439 VanDerWaalsContact OD1-O 3.1Å; N222-D444 PolarHBondContact ND2-OD2 3.22Å
223	Y	94.1	Very high	93.6	Very high	11 Å²	11	48.2 Å²	48.2	4%	0.043	25%	0.247	C	C	.	.	S	Bend	trans	-117.7	-35.6	-159.2	-66.8	-79.2	0	0	0	113.5	S221 V255 Y257 L432 F436 V437 Y439	S221-Y223 VanDerWaalsContact C-N 3.26Å; S221-Y223 PolarHBondContact OG-N 3.34Å; S221-Y223 VanDerWaalsContact OG-N 3.15Å; Y223-V255 WeakPolarHBondContact O-CG2 3.34Å; Y223-Y257 HydrophobicContact CD2-CD2 4.2Å; Y223-Y257 AromaticContact CD2-CE2 3.58Å; Y223-Y257 HydrophobicContact CD2-CE2 3.58Å; Y223-Y257 HydrophobicContact CE2-CE2 4.44Å; Y223-Y257 AromaticContact CG-CD2 3.84Å; Y223-Y257 HydrophobicContact CG-CD2 3.84Å; Y223-Y257 AromaticContact CG-CE2 3.71Å; Y223-Y257 HydrophobicContact CG-CE2 3.71Å; Y223-L432 PolarHBondContact OH-O 3.43Å; Y223-F436 AromaticContact CD1-CD1 3.38Å; Y223-F436 HydrophobicContact CD1-CD1 3.38Å; Y223-F436 AromaticContact CD1-CE1 3.95Å; Y223-F436 HydrophobicContact CD1-CE1 3.95Å; Y223-F436 HydrophobicContact CD1-CG 4.45Å; Y223-F436 HydrophobicContact CE1-CB 4.46Å; Y223-F436 AromaticContact CE1-CD1 3.75Å; Y223-F436 HydrophobicContact CE1-CD1 3.75Å; Y223-F436 HydrophobicContact CE1-CE1 4.5Å; Y223-F436 AromaticContact CG-CD1 3.89Å; Y223-F436 HydrophobicContact CG-CD1 3.89Å; Y223-V437 PolarHBondContact OH-N 2.88Å; Y223-V437 PolarHBondContact OH-O 2.98Å; Y223-Y439 AromaticContact CZ-CE1 3.95Å; Y223-Y439 WeakPolarHBondContact OH-CE1 3.48Å
224	Y	94.4	Very high	93.4	Very high	24 Å²	24	52.1 Å²	52.1	9%	0.094	26%	0.264	C	S	.	.			trans	-141.5	163.9	-179.3	63.6	-92.2	0	0	0	109.3	Y188 D218 S221 K227 Y257	Y188-Y224 AromaticContact CD1-CD1 3.47Å; Y188-Y224 HydrophobicContact CD1-CD1 3.47Å; Y188-Y224 VanDerWaalsContact CD1-CD1 3.47Å; Y188-Y224 AromaticContact CD1-CD2 3.93Å; Y188-Y224 HydrophobicContact CD1-CD2 3.93Å; Y188-Y224 AromaticContact CD1-CE1 3.46Å; Y188-Y224 HydrophobicContact CD1-CE1 3.46Å; Y188-Y224 VanDerWaalsContact CD1-CE1 3.46Å; Y188-Y224 AromaticContact CD1-CE2 3.93Å; Y188-Y224 HydrophobicContact CD1-CE2 3.93Å; Y188-Y224 AromaticContact CD1-CG 3.72Å; Y188-Y224 HydrophobicContact CD1-CG 3.72Å; Y188-Y224 AromaticContact CD1-CZ 3.71Å; Y188-Y224 HydrophobicContact CE1-CD1 4.22Å; Y188-Y224 AromaticContact CE1-CE1 3.74Å; Y188-Y224 HydrophobicContact CE1-CE1 3.74Å; Y188-Y224 HydrophobicContact CE1-CE2 4.34Å; Y188-Y224 AromaticContact CE1-CZ 3.83Å; Y188-Y224 HydrophobicContact CG-CD1 4.16Å; Y188-Y224 HydrophobicContact CG-CE1 4.5Å; Y188-Y224 HydrophobicContact CG-CG 4.35Å; D218-Y224 HydrophobicContact CB-CD2 4.29Å; D218-Y224 HydrophobicContact CB-CE2 3.49Å; D218-Y224 VanDerWaalsContact CB-CE2 3.49Å; D218-Y224 PolarHBondContact OD2-OH 3.05Å; S221-Y224 VanDerWaalsContact CB-O 3.32Å; S221-Y224 WeakPolarHBondContact CB-O 3.39Å; S221-Y224 WeakPolarHBondContact OG-CD1 3.46Å; S221-Y224 WeakPolarHBondContact OG-CE1 3.1Å; S221-Y224 PolarHBondContact OG-N 3.34Å; S221-Y224 PolarHBondContact OG-O 3.4Å; Y224-K227 HydrophobicContact CE2-CB 4.04Å; Y224-Y257 AromaticContact CD1-CD1 3.93Å; Y224-Y257 HydrophobicContact CD1-CD1 3.93Å; Y224-Y257 HydrophobicContact CD1-CD2 4.16Å; Y224-Y257 HydrophobicContact CD1-CE1 4.16Å; Y224-Y257 HydrophobicContact CD1-CE2 4.4Å; Y224-Y257 AromaticContact CD1-CG 3.92Å; Y224-Y257 HydrophobicContact CD1-CG 3.92Å; Y224-Y257 AromaticContact CE1-CD1 3.71Å; Y224-Y257 HydrophobicContact CE1-CD1 3.71Å; Y224-Y257 HydrophobicContact CE1-CD2 4.41Å; Y224-Y257 AromaticContact CE1-CE1 3.53Å; Y224-Y257 HydrophobicContact CE1-CE1 3.53Å; Y224-Y257 HydrophobicContact CE1-CE2 4.29Å; Y224-Y257 HydrophobicContact CE1-CG 4.14Å; Y224-Y257 AromaticContact CE1-CZ 3.84Å
225	Q	94.5	Very high	93.2	Very high	96 Å²	96	57 Å²	57	45%	0.449	28%	0.283	S	S	.	.	S	Bend	trans	-107.4	-31	176.6	-67.6	-174.1	13	0	0	112.4	V189 A191 P217 D218	V189-Q225 PolarHBondContact O-N 2.89Å; A191-Q225 VanDerWaalsContact C-OE1 3.32Å; A191-Q225 WeakPolarHBondContact O-CB 3.42Å; P217-Q225 CarbonylContact C-O 3.45Å; P217-Q225 WeakPolarHBondContact CA-O 3.28Å; D218-Q225 PolarHBondContact N-O 3.12Å
226	V	96.6	Very high	93.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.7	179.8	-173.3	0	0	0	0	109.7	V189 A191 E193 I196 L228	V189-V226 PolarHBondContact N-O 3.19Å; V189-V226 PolarHBondContact O-N 3.1Å; A191-V226 WeakPolarHBondContact O-CG2 3.47Å; E193-V226 HydrophobicContact CB-CG2 3.71Å; E193-V226 HydrophobicContact CG-CG2 4.35Å; I196-V226 HydrophobicContact CD1-CB 4.2Å; I196-V226 HydrophobicContact CD1-CG1 4.23Å; I196-V226 HydrophobicContact CD1-CG2 4.29Å; V226-L228 HydrophobicContact CG1-CD2 3.71Å
227	K	97	Very high	93.1	Very high	56 Å²	56	50.6 Å²	50.6	24%	0.243	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.3	164.2	-174.6	177.6	77.4	156.5	0	108.6	E186 L187 Y188 Y216 Y224	E186-K227 IonicContact OE1-NZ 3.04Å; E186-K227 PolarHBondContact OE1-NZ 2.91Å; L187-K227 CarbonylContact O-C 3.55Å; L187-K227 WeakPolarHBondContact O-CA 3.14Å; Y188-K227 HydrophobicContact CD1-CB 4.29Å; Y188-K227 HydrophobicContact CD1-CG 4.1Å; Y188-K227 HydrophobicContact CE1-CB 4.27Å; Y188-K227 HydrophobicContact CE1-CD 3.72Å; Y188-K227 HydrophobicContact CE1-CG 3.75Å; Y216-K227 PolarHBondContact N-O 3.03Å; Y216-K227 PolarHBondContact O-N 2.99Å; Y224-K227 HydrophobicContact CE2-CB 4.04Å
228	L	96.9	Very high	93.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.3	169.9	-48.2	175.4	0	0	0	109.4	E186 L187 V189 I196 L200 G214 V226 L245 L249	E186-L228 WeakPolarHBondContact CA-O 3.45Å; L187-L228 HydrophobicContact CB-CB 4.15Å; L187-L228 PolarHBondContact N-O 3.23Å; L187-L228 PolarHBondContact O-N 2.93Å; V189-L228 HydrophobicContact CG2-CD1 3.78Å; V189-L228 HydrophobicContact CG2-CG 4.04Å; I196-L228 HydrophobicContact CD1-CD2 4.25Å; L200-L228 HydrophobicContact CD1-CD2 3.65Å; L200-L228 HydrophobicContact CD2-CD1 3.73Å; L200-L228 HydrophobicContact CD2-CD2 4.01Å; G214-L228 CarbonylContact O-C 3.5Å; G214-L228 WeakPolarHBondContact O-CA 3.34Å; V226-L228 HydrophobicContact CG1-CD2 3.71Å; L228-L245 HydrophobicContact CD1-CD1 4.38Å; L228-L249 HydrophobicContact CD1-CD1 4.45Å
229	T	96.7	Very high	93.3	Very high	15 Å²	15	50.5 Å²	50.5	9%	0.092	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.4	171.7	69.4	0	0	0	0	109.7	E186 L213 G214 Y216 D231	E186-T229 HydrophobicContact CG-CG2 4.41Å; L213-T229 WeakPolarHBondContact CA-O 3.47Å; G214-T229 PolarHBondContact N-O 3.31Å; G214-T229 PolarHBondContact O-N 3.37Å; Y216-T229 HydrophobicContact CD2-CG2 4.02Å; Y216-T229 HydrophobicContact CE2-CG2 3.7Å; Y216-T229 WeakPolarHBondContact CE2-OG1 3.19Å; T229-D231 PolarHBondContact OG1-OD2 2.72Å
230	L	96.6	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127	172.5	-50	-175.5	0	0	0	107.1	S184 K185 L187 L211 G212 L213 L238 C241 L242 L245	S184-L230 CarbonylContact C-O 3.51Å; S184-L230 WeakPolarHBondContact CA-O 3.26Å; K185-L230 HydrophobicContact CB-CB 4.32Å; K185-L230 HydrophobicContact CB-CD1 4.44Å; K185-L230 PolarHBondContact N-O 3.17Å; K185-L230 PolarHBondContact O-N 3.48Å; L187-L230 HydrophobicContact CD1-CD1 4Å; L187-L230 HydrophobicContact CD1-CG 4.33Å; L211-L230 HydrophobicContact CD1-CB 4.42Å; L211-L230 HydrophobicContact CD2-CD2 4.36Å; G212-L230 CarbonylContact O-C 3.57Å; G212-L230 WeakPolarHBondContact O-CA 3.31Å; L213-L230 HydrophobicContact CD1-CD2 3.34Å; L230-L238 HydrophobicContact CB-CD2 3.57Å; L230-C241 HydrophobicContact CD1-CB 4.28Å; L230-L242 HydrophobicContact CD1-CB 4.32Å; L230-L245 HydrophobicContact CD2-CD1 3.88Å
231	D	94.6	Very high	94.5	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.241	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.6	-175.4	-81.4	-77.8	0	0	0	110.8	R43 H183 S184 L211 G212 T229	R43-D231 IonicContact CZ-OD1 2.68Å; R43-D231 IonicContact NH2-OD1 3.5Å; R43-D231 PolarHBondContact NH2-OD1 3.06Å; H183-D231 WeakPolarHBondContact O-CA 3.42Å; S184-D231 WeakPolarHBondContact CB-OD1 3.12Å; S184-D231 PolarHBondContact OG-OD1 3.28Å; L211-D231 CarbonylContact C-O 3.52Å; L211-D231 WeakPolarHBondContact CA-O 3.45Å; G212-D231 PolarHBondContact N-O 2.79Å; G212-D231 PolarHBondContact O-N 2.99Å; T229-D231 PolarHBondContact OG1-OD2 2.72Å
232	S	93.9	Very high	94.7	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158.1	-176	177.1	0	0	0	0	111.2	H183 R210 E234	H183-S232 PolarHBondContact N-O 2.93Å; H183-S232 PolarHBondContact O-N 3.38Å; R210-S232 PolarHBondContact O-OG 3Å; S232-E234 VanDerWaalsContact C-N 3.28Å; S232-E234 WeakPolarHBondContact CB-O 3.31Å; S232-E234 PolarHBondContact OG-N 3.21Å; S232-E234 PolarHBondContact OG-O 3.3Å
233	E	91.1	Very high	94.8	Very high	100 Å²	100	44.9 Å²	44.9	47%	0.467	23%	0.232	S	C	.	.	S	Bend	trans	-84.8	-5.6	167.8	-66.4	179.9	-165.1	0	0	112.3	V180 Q181 F182	V180-E233 HydrophobicContact CG1-CG 4.1Å; Q181-E233 CarbonylContact O-C 3.59Å; Q181-E233 VanDerWaalsContact O-CA 3.3Å; Q181-E233 WeakPolarHBondContact O-CA 3.31Å; Q181-E233 VanDerWaalsContact O-O 3.13Å; F182-E233 HydrophobicContact CD1-CG 3.86Å; F182-E233 HydrophobicContact CE1-CG 3.75Å
234	E	90.3	Very high	95	Very high	113 Å²	113	45.8 Å²	45.8	53%	0.528	24%	0.236	S	C	.	.	S	Bend	trans	-131.4	144.3	180	-63	176.1	-114.4	0	0	110.8	S232 P237	S232-E234 VanDerWaalsContact C-N 3.28Å; S232-E234 WeakPolarHBondContact CB-O 3.31Å; S232-E234 PolarHBondContact OG-N 3.21Å; S232-E234 PolarHBondContact OG-O 3.3Å; E234-P237 HydrophobicContact CB-CG 4.08Å
235	E	91.5	Very high	95.1	Very high	115 Å²	115	44.7 Å²	44.7	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-71.8	-35.3	177.4	-68.5	-171.4	163.9	0	0	113.5	H183 L238 E239	H183-E235 HydrophobicContact CB-CG 4.35Å; H183-E235 WeakPolarHBondContact CE1-CG 3.39Å; H183-E235 IonicContact CE1-OE1 2.79Å; H183-E235 PolarHBondContact CE1-OE1 3.44Å; H183-E235 WeakPolarHBondContact ND1-CG 3.43Å; H183-E235 IonicContact ND1-OE1 3.58Å; H183-E235 PolarHBondContact ND1-OE1 2.84Å; E235-L238 WeakPolarHBondContact O-CB 3.42Å; E235-L238 PolarHBondContact O-N 3.39Å; E235-E239 PolarHBondContact O-N 3.02Å
236	G	94.8	Very high	95.1	Very high	32 Å²	32	43.6 Å²	43.6	33%	0.33	23%	0.231	S	C	.	.	H	α-helix	trans	-53.3	-54	-176.5	0	0	0	0	0	114.2	L238 E239 E240	G236-L238 PolarHBondContact O-N 3.39Å; G236-E239 PolarHBondContact O-N 2.95Å; G236-E239 VanDerWaalsContact O-N 3.13Å; G236-E240 WeakPolarHBondContact O-CG 3.35Å; G236-E240 PolarHBondContact O-N 3.47Å
237	P	94.9	Very high	95	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-34.2	175.6	-26.1	32.2	0	0	0	114.4	R210 L211 E234 C241	R210-P237 HydrophobicContact CB-CG 4.33Å; L211-P237 HydrophobicContact CD1-CB 4.08Å; L211-P237 WeakPolarHBondContact CD1-O 3.32Å; E234-P237 HydrophobicContact CB-CG 4.08Å; P237-C241 WeakPolarHBondContact O-CB 3.48Å; P237-C241 PolarHBondContact O-N 2.94Å
238	L	95.4	Very high	95	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-41.4	179.8	-60.3	176.3	0	0	0	111.4	H183 K185 L211 L230 E235 G236 L242	H183-L238 HydrophobicContact CB-CD1 3.35Å; K185-L238 HydrophobicContact CD-CB 4.11Å; K185-L238 HydrophobicContact CG-CB 4.44Å; K185-L238 HydrophobicContact CG-CD1 4.31Å; L211-L238 HydrophobicContact CD1-CD2 3.77Å; L230-L238 HydrophobicContact CB-CD2 3.57Å; E235-L238 WeakPolarHBondContact O-CB 3.42Å; E235-L238 PolarHBondContact O-N 3.39Å; G236-L238 PolarHBondContact O-N 3.39Å; L238-L242 WeakPolarHBondContact O-CB 3.21Å; L238-L242 PolarHBondContact O-N 3.46Å
239	E	95.4	Very high	95	Very high	111 Å²	111	51 Å²	51	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-69.7	-43.5	178.2	-67.6	-173.8	166.6	0	0	112.1	K185 E235 G236 C241 L242 A243	K185-E239 VanDerWaalsContact NZ-CG 3.3Å; K185-E239 IonicContact NZ-OE1 2.77Å; E235-E239 PolarHBondContact O-N 3.02Å; G236-E239 PolarHBondContact O-N 2.95Å; G236-E239 VanDerWaalsContact O-N 3.13Å; E239-C241 VanDerWaalsContact C-N 3.34Å; E239-C241 PolarHBondContact O-N 2.92Å; E239-L242 PolarHBondContact O-N 3.14Å; E239-A243 PolarHBondContact O-N 3.39Å
240	E	96.1	Very high	94.9	Very high	96 Å²	96	53 Å²	53	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-45.7	174.6	-69.3	172.5	-160	0	0	111.1	F207 G236 A243 Y244	F207-E240 HydrophobicContact CE1-CB 3.67Å; F207-E240 HydrophobicContact CZ-CB 4.03Å; G236-E240 WeakPolarHBondContact O-CG 3.35Å; G236-E240 PolarHBondContact O-N 3.47Å; E240-A243 PolarHBondContact O-N 3.11Å; E240-Y244 VanDerWaalsContact O-CB 3.32Å; E240-Y244 WeakPolarHBondContact O-CB 3.36Å; E240-Y244 PolarHBondContact O-N 2.61Å
241	C	96.5	Very high	94.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-39.2	179.2	-172.8	0	0	0	0	112.3	F207 L211 L230 P237 E239 A243 Y244 L245	F207-C241 HydrophobicContact CD1-CB 4.47Å; F207-C241 HydrophobicContact CD2-CB 3.93Å; F207-C241 HydrophobicContact CE1-CB 4.11Å; F207-C241 HydrophobicContact CE2-CB 3.53Å; F207-C241 HydrophobicContact CG-CB 4.41Å; F207-C241 HydrophobicContact CZ-CB 3.65Å; L211-C241 HydrophobicContact CD1-CB 3.7Å; L211-C241 HydrophobicContact CD2-CB 3.99Å; L211-C241 VanDerWaalsContact CD2-SG 3.53Å; L230-C241 HydrophobicContact CD1-CB 4.28Å; P237-C241 WeakPolarHBondContact O-CB 3.48Å; P237-C241 PolarHBondContact O-N 2.94Å; E239-C241 VanDerWaalsContact C-N 3.34Å; E239-C241 PolarHBondContact O-N 2.92Å; C241-A243 VanDerWaalsContact C-N 3.34Å; C241-A243 PolarHBondContact O-N 3.22Å; C241-Y244 WeakPolarHBondContact O-CB 3.46Å; C241-Y244 PolarHBondContact O-N 3.36Å; C241-L245 WeakPolarHBondContact O-CB 3.3Å; C241-L245 WeakPolarHBondContact O-CG 3.43Å; C241-L245 PolarHBondContact O-N 2.97Å
242	L	95.3	Very high	94.5	Very high	53 Å²	53	64.2 Å²	64.2	28%	0.277	36%	0.361	S	S	.	.	H	α-helix	trans	-57.5	-47.3	173.4	175.7	61.5	0	0	0	111.4	K185 L187 L230 L238 E239 T246	K185-L242 HydrophobicContact CD-CD2 4.48Å; L187-L242 HydrophobicContact CD1-CD1 3.78Å; L187-L242 HydrophobicContact CD2-CD1 3.19Å; L187-L242 HydrophobicContact CG-CD1 3.89Å; L230-L242 HydrophobicContact CD1-CB 4.32Å; L238-L242 WeakPolarHBondContact O-CB 3.21Å; L238-L242 PolarHBondContact O-N 3.46Å; E239-L242 PolarHBondContact O-N 3.14Å; L242-T246 VanDerWaalsContact O-CB 3.3Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 2.83Å; L242-T246 PolarHBondContact O-OG1 3.04Å
243	A	95.4	Very high	94.5	Very high	63 Å²	63	64.1 Å²	64.1	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-42.4	176.2	0	0	0	0	0	111.7	E239 E240 C241 L245 T246 A247	E239-A243 PolarHBondContact O-N 3.39Å; E240-A243 PolarHBondContact O-N 3.11Å; C241-A243 VanDerWaalsContact C-N 3.34Å; C241-A243 PolarHBondContact O-N 3.22Å; A243-L245 PolarHBondContact O-N 3.28Å; A243-T246 PolarHBondContact O-N 3.46Å; A243-A247 WeakPolarHBondContact O-CB 3.32Å; A243-A247 PolarHBondContact O-N 2.95Å; A243-A247 VanDerWaalsContact O-N 3.11Å
244	Y	96.4	Very high	94.7	Very high	30 Å²	30	62 Å²	62	12%	0.118	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-47.5	177.5	-177.5	-74.8	0	0	0	112.3	A203 H206 F207 E240 C241 R248	A203-Y244 HydrophobicContact CB-CD1 3.97Å; A203-Y244 HydrophobicContact CB-CE1 3.75Å; H206-Y244 HydrophobicContact CB-CE2 4.36Å; F207-Y244 HydrophobicContact CE2-CD2 4.21Å; F207-Y244 HydrophobicContact CE2-CG 4.03Å; F207-Y244 HydrophobicContact CZ-CD2 4.46Å; F207-Y244 HydrophobicContact CZ-CG 4.44Å; E240-Y244 VanDerWaalsContact O-CB 3.32Å; E240-Y244 WeakPolarHBondContact O-CB 3.36Å; E240-Y244 PolarHBondContact O-N 2.61Å; C241-Y244 WeakPolarHBondContact O-CB 3.46Å; C241-Y244 PolarHBondContact O-N 3.36Å; Y244-R248 VanDerWaalsContact CE2-NH2 3.34Å; Y244-R248 PolarHBondContact O-NH1 3.21Å; Y244-R248 PolarHBondContact OH-NE 2.72Å
245	L	96.4	Very high	94.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-70.7	-43.7	-179.9	-71	174.3	0	0	0	111.1	L187 I199 L200 A203 L213 L228 L230 C241 A243 A247 R248 L249	L187-L245 HydrophobicContact CD1-CD1 3.84Å; I199-L245 HydrophobicContact CG2-CD2 4.22Å; L200-L245 HydrophobicContact CD2-CD2 3.91Å; A203-L245 HydrophobicContact CB-CD2 3.95Å; L213-L245 HydrophobicContact CD1-CD1 4.24Å; L228-L245 HydrophobicContact CD1-CD1 4.38Å; L230-L245 HydrophobicContact CD2-CD1 3.88Å; C241-L245 WeakPolarHBondContact O-CB 3.3Å; C241-L245 WeakPolarHBondContact O-CG 3.43Å; C241-L245 PolarHBondContact O-N 2.97Å; A243-L245 PolarHBondContact O-N 3.28Å; L245-A247 PolarHBondContact O-N 3.49Å; L245-R248 PolarHBondContact O-N 2.85Å; L245-L249 HydrophobicContact CB-CD1 4.13Å; L245-L249 HydrophobicContact CB-CG 4.46Å; L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 VanDerWaalsContact O-CG 3.27Å; L245-L249 WeakPolarHBondContact O-CG 3.2Å; L245-L249 PolarHBondContact O-N 2.91Å
246	T	94.8	Very high	94.9	Very high	74 Å²	74	57.5 Å²	57.5	45%	0.454	34%	0.342	S	S	.	.	H	α-helix	trans	-57.2	-36.2	177.7	-58.5	0	0	0	0	112.3	L242 A243 L254	L242-T246 VanDerWaalsContact O-CB 3.3Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 2.83Å; L242-T246 PolarHBondContact O-OG1 3.04Å; A243-T246 PolarHBondContact O-N 3.46Å; T246-L254 HydrophobicContact CG2-CD1 3.83Å
247	A	95.7	Very high	94.7	Very high	83 Å²	83	57.9 Å²	57.9	69%	0.686	33%	0.334	S	S	*	.	H	α-helix	trans	-76.3	-19.1	178.9	0	0	0	0	0	114.6	A243 L245	A243-A247 WeakPolarHBondContact O-CB 3.32Å; A243-A247 PolarHBondContact O-N 2.95Å; A243-A247 VanDerWaalsContact O-N 3.11Å; L245-A247 PolarHBondContact O-N 3.49Å
248	R	96.4	Very high	94.3	Very high	116 Å²	116	61.3 Å²	61.3	44%	0.438	35%	0.351	S	S	.	.	H	α-helix	trans	-115.9	-26.1	-171.9	-72.4	-176.9	178.1	80.6	-6.1	114.5	I199 Y244 L245	I199-R248 WeakPolarHBondContact CD1-O 3.46Å; I199-R248 HydrophobicContact CG2-CB 3.77Å; Y244-R248 VanDerWaalsContact CE2-NH2 3.34Å; Y244-R248 PolarHBondContact O-NH1 3.21Å; Y244-R248 PolarHBondContact OH-NE 2.72Å; L245-R248 PolarHBondContact O-N 2.85Å
249	L	96.7	Very high	93.8	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.068	36%	0.364	C	S	.	.	S	Bend	trans	-60.1	151.3	174.9	-75.1	171.1	0	0	0	110.3	V189 I196 I199 L228 L245 Q251 L254	V189-L249 HydrophobicContact CG1-CD2 4.47Å; V189-L249 HydrophobicContact CG2-CD1 4.09Å; I196-L249 HydrophobicContact CB-CD2 4.02Å; I196-L249 HydrophobicContact CG2-CD2 3.79Å; I199-L249 HydrophobicContact CD1-CD2 4.5Å; L228-L249 HydrophobicContact CD1-CD1 4.45Å; L245-L249 HydrophobicContact CB-CD1 4.13Å; L245-L249 HydrophobicContact CB-CG 4.46Å; L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 VanDerWaalsContact O-CG 3.27Å; L245-L249 WeakPolarHBondContact O-CG 3.2Å; L245-L249 PolarHBondContact O-N 2.91Å; L249-Q251 PolarHBondContact O-N 2.99Å; L249-L254 HydrophobicContact CD1-CD1 4.4Å; L249-L254 HydrophobicContact CD1-CD2 3.7Å; L249-L254 HydrophobicContact CD1-CG 4.01Å
250	P	94.9	Very high	93.4	Very high	56 Å²	56	62.3 Å²	62.3	36%	0.364	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-52.2	135.9	179.2	-25.3	33.2	0	0	0	111.6	A191 I196 G252 S253	A191-P250 HydrophobicContact CB-CG 4.45Å; I196-P250 HydrophobicContact CG2-CG 4.24Å; P250-G252 PolarHBondContact O-N 3.44Å; P250-S253 WeakPolarHBondContact O-CB 3.35Å; P250-S253 PolarHBondContact O-N 3.41Å; P250-S253 PolarHBondContact O-OG 3.13Å
251	Q	92.4	Very high	93.1	Very high	205 Å²	205	58.1 Å²	58.1	96%	0.958	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	130.1	-176.4	-171.2	179.6	1.2	0	0	110.8	L249 S253	L249-Q251 PolarHBondContact O-N 2.99Å; Q251-S253 PolarHBondContact O-N 3.48Å
252	G	90.3	Very high	92.9	Very high	77 Å²	77	58.7 Å²	58.7	79%	0.794	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	2	-178.2	0	0	0	0	0	115.3	P250	P250-G252 PolarHBondContact O-N 3.44Å
253	S	94.1	Very high	92.7	Very high	7 Å²	7	63 Å²	63	5%	0.049	37%	0.366	C	S	.	.			trans	-77.3	-23.9	176.7	65.7	0	0	0	0	113.5	V189 A190 P250 Q251 V255	V189-S253 CarbonylContact C-O 3.48Å; V189-S253 WeakPolarHBondContact CA-O 3.21Å; A190-S253 PolarHBondContact N-O 2.93Å; P250-S253 WeakPolarHBondContact O-CB 3.35Å; P250-S253 PolarHBondContact O-N 3.41Å; P250-S253 PolarHBondContact O-OG 3.13Å; Q251-S253 PolarHBondContact O-N 3.48Å; S253-V255 PolarHBondContact O-N 3.04Å
254	L	95.1	Very high	92.6	Very high	56 Å²	56	63.7 Å²	63.7	29%	0.293	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.4	176.4	-78.8	173.4	0	0	0	110.7	L187 V189 T246 L249	L187-L254 HydrophobicContact CB-CD2 4.47Å; L187-L254 HydrophobicContact CD2-CD2 4.09Å; V189-L254 HydrophobicContact CG2-CD2 4.22Å; T246-L254 HydrophobicContact CG2-CD1 3.83Å; L249-L254 HydrophobicContact CD1-CD1 4.4Å; L249-L254 HydrophobicContact CD1-CD2 3.7Å; L249-L254 HydrophobicContact CD1-CG 4.01Å
255	V	93.8	Very high	92.5	Very high	25 Å²	25	62.2 Å²	62.2	15%	0.152	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.5	-179	-172	0	0	0	0	108.2	Y188 A190 Y223 S253 Y257 F436	Y188-V255 PolarHBondContact O-N 3.18Å; A190-V255 HydrophobicContact CB-CG2 3.66Å; Y223-V255 WeakPolarHBondContact O-CG2 3.34Å; S253-V255 PolarHBondContact O-N 3.04Å; V255-Y257 PolarHBondContact O-N 3.41Å; V255-F436 HydrophobicContact CG1-CE1 4.09Å
256	P	92.1	Very high	92.5	Very high	108 Å²	108	63.3 Å²	63.3	70%	0.701	36%	0.36	S	S	*	.			trans	-76	52.9	173.1	33.6	-35.1	0	0	0	110.4	F436	P256-F436 HydrophobicContact CG-CZ 4.36Å; P256-F436 WeakPolarHBondContact O-CE2 3.22Å; P256-F436 WeakPolarHBondContact O-CZ 3.39Å
257	Y	91.5	Very high	92.6	Very high	40 Å²	40	66.8 Å²	66.8	16%	0.157	37%	0.371	C	S	.	.			trans	-69.6	130.1	-173.1	179.9	-106.2	0	0	0	110.6	Y188 Y223 Y224 V255 P259 F436	Y188-Y257 AromaticContact CD1-CD1 3.68Å; Y188-Y257 HydrophobicContact CD1-CD1 3.68Å; Y188-Y257 HydrophobicContact CD1-CE1 4.43Å; Y188-Y257 HydrophobicContact CD1-CG 4.29Å; Y188-Y257 HydrophobicContact CD2-CD1 4.01Å; Y188-Y257 HydrophobicContact CD2-CG 4.39Å; Y188-Y257 AromaticContact CE1-CD1 3.55Å; Y188-Y257 HydrophobicContact CE1-CD1 3.55Å; Y188-Y257 HydrophobicContact CE1-CE1 4.02Å; Y188-Y257 AromaticContact CE2-CD1 3.94Å; Y188-Y257 HydrophobicContact CE2-CD1 3.94Å; Y188-Y257 AromaticContact CG-CD1 3.89Å; Y188-Y257 HydrophobicContact CG-CD1 3.89Å; Y188-Y257 HydrophobicContact CG-CG 4.18Å; Y188-Y257 AromaticContact CZ-CD1 3.7Å; Y223-Y257 HydrophobicContact CD2-CD2 4.2Å; Y223-Y257 AromaticContact CD2-CE2 3.58Å; Y223-Y257 HydrophobicContact CD2-CE2 3.58Å; Y223-Y257 HydrophobicContact CE2-CE2 4.44Å; Y223-Y257 AromaticContact CG-CD2 3.84Å; Y223-Y257 HydrophobicContact CG-CD2 3.84Å; Y223-Y257 AromaticContact CG-CE2 3.71Å; Y223-Y257 HydrophobicContact CG-CE2 3.71Å; Y224-Y257 AromaticContact CD1-CD1 3.93Å; Y224-Y257 HydrophobicContact CD1-CD1 3.93Å; Y224-Y257 HydrophobicContact CD1-CD2 4.16Å; Y224-Y257 HydrophobicContact CD1-CE1 4.16Å; Y224-Y257 HydrophobicContact CD1-CE2 4.4Å; Y224-Y257 AromaticContact CD1-CG 3.92Å; Y224-Y257 HydrophobicContact CD1-CG 3.92Å; Y224-Y257 AromaticContact CE1-CD1 3.71Å; Y224-Y257 HydrophobicContact CE1-CD1 3.71Å; Y224-Y257 HydrophobicContact CE1-CD2 4.41Å; Y224-Y257 AromaticContact CE1-CE1 3.53Å; Y224-Y257 HydrophobicContact CE1-CE1 3.53Å; Y224-Y257 HydrophobicContact CE1-CE2 4.29Å; Y224-Y257 HydrophobicContact CE1-CG 4.14Å; Y224-Y257 AromaticContact CE1-CZ 3.84Å; V255-Y257 PolarHBondContact O-N 3.41Å; Y257-P259 HydrophobicContact CE1-CB 4.12Å; Y257-P259 WeakPolarHBondContact O-CD 3.33Å; Y257-F436 HydrophobicContact CD2-CB 4.04Å; Y257-F436 AromaticContact CD2-CD1 3.42Å; Y257-F436 HydrophobicContact CD2-CD1 3.42Å; Y257-F436 VanDerWaalsContact CD2-CD1 3.42Å; Y257-F436 HydrophobicContact CD2-CE1 4.05Å; Y257-F436 AromaticContact CD2-CG 3.87Å; Y257-F436 HydrophobicContact CD2-CG 3.87Å; Y257-F436 HydrophobicContact CE2-CB 3.87Å; Y257-F436 HydrophobicContact CE2-CD1 4.02Å; Y257-F436 HydrophobicContact CE2-CG 4.23Å; Y257-F436 HydrophobicContact CG-CD1 4.38Å
258	M	86.1	Confident	92.6	Very high	72 Å²	72	63.8 Å²	63.8	36%	0.355	35%	0.347	S	S	.	.			trans	-96.5	107.3	171.7	-72.5	177.3	41.8	0	0	109.5	F436	M258-F436 HydrophobicContact CB-CD2 3.83Å; M258-F436 HydrophobicContact CB-CE2 4.43Å; M258-F436 HydrophobicContact CG-CD2 4.15Å; M258-F436 HydrophobicContact CG-CE2 4.3Å
259	P	85.1	Confident	92.7	Very high	45 Å²	45	58.3 Å²	58.3	29%	0.292	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	159.5	171.2	28.9	-34.2	0	0	0	110.6	Y257 A261 Q264	Y257-P259 HydrophobicContact CE1-CB 4.12Å; Y257-P259 WeakPolarHBondContact O-CD 3.33Å; P259-A261 PolarHBondContact O-N 3.22Å; P259-Q264 PolarHBondContact O-NE2 2.84Å
260	N	86.5	Confident	92.8	Very high	89 Å²	89	59 Å²	59	48%	0.476	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	40.8	176.4	-52.5	-16.6	0	0	0	114.5	V262 E263 Q264	N260-V262 PolarHBondContact O-N 2.91Å; N260-E263 HydrophobicContact CB-CB 4.14Å; N260-E263 HydrophobicContact CB-CG 4.15Å; N260-E263 WeakPolarHBondContact CB-OE2 3.44Å; N260-E263 PolarHBondContact ND2-OE2 2.81Å; N260-E263 VanDerWaalsContact ND2-OE2 3.11Å; N260-E263 PolarHBondContact O-N 2.76Å; N260-Q264 PolarHBondContact O-N 3.39Å
261	A	90.8	Very high	92.9	Very high	9 Å²	9	63.3 Å²	63.3	7%	0.074	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-35	177.3	0	0	0	0	0	113.6	P259 Q264 A265 H317 L435	P259-A261 PolarHBondContact O-N 3.22Å; A261-Q264 CarbonylContact O-C 3.57Å; A261-A265 WeakPolarHBondContact O-CA 3.32Å; A261-A265 PolarHBondContact O-N 3.39Å; A261-H317 PolarHBondContact O-CE1 3.11Å; A261-L435 WeakPolarHBondContact CB-O 2.99Å
262	V	91.8	Very high	93.2	Very high	11 Å²	11	54 Å²	54	7%	0.067	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-41.3	178.9	-178.8	0	0	0	0	112.9	N260 Q264 A265 H320 Q324 R358 Y359	N260-V262 PolarHBondContact O-N 2.91Å; V262-Q264 VanDerWaalsContact C-N 3.26Å; V262-Q264 PolarHBondContact O-N 2.83Å; V262-A265 VanDerWaalsContact O-CB 3.25Å; V262-A265 WeakPolarHBondContact O-CB 3.38Å; V262-A265 PolarHBondContact O-N 3.24Å; V262-H320 WeakPolarHBondContact CG1-NE2 3.48Å; V262-H320 PolarHBondContact O-NE2 3.28Å; V262-Q324 PolarHBondContact O-NE2 3.05Å; V262-R358 HydrophobicContact CB-CG 4.34Å; V262-R358 HydrophobicContact CG2-CG 3.74Å; V262-Y359 HydrophobicContact CB-CE1 4.37Å; V262-Y359 HydrophobicContact CG1-CD1 3.59Å; V262-Y359 HydrophobicContact CG1-CD2 4.34Å; V262-Y359 HydrophobicContact CG1-CE1 3.75Å; V262-Y359 HydrophobicContact CG1-CE2 4.47Å; V262-Y359 HydrophobicContact CG1-CG 3.92Å; V262-Y359 HydrophobicContact CG2-CD1 4.27Å; V262-Y359 HydrophobicContact CG2-CD2 4Å; V262-Y359 HydrophobicContact CG2-CE1 3.8Å; V262-Y359 HydrophobicContact CG2-CE2 3.48Å; V262-Y359 VanDerWaalsContact CG2-CE2 3.48Å; V262-Y359 HydrophobicContact CG2-CG 4.37Å
263	E	91.3	Very high	93.6	Very high	144 Å²	144	51.1 Å²	51.1	67%	0.673	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.6	177.6	-64.4	176.4	174.5	0	0	111.3	N260	N260-E263 HydrophobicContact CB-CB 4.14Å; N260-E263 HydrophobicContact CB-CG 4.15Å; N260-E263 WeakPolarHBondContact CB-OE2 3.44Å; N260-E263 PolarHBondContact ND2-OE2 2.81Å; N260-E263 VanDerWaalsContact ND2-OE2 3.11Å; N260-E263 PolarHBondContact O-N 2.76Å
264	Q	92.4	Very high	93.8	Very high	77 Å²	77	58 Å²	58	36%	0.36	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.9	-179.6	-61.3	178.8	43.8	0	0	113.3	P259 N260 A261 V262 S266 E267 A268	P259-Q264 PolarHBondContact O-NE2 2.84Å; N260-Q264 PolarHBondContact O-N 3.39Å; A261-Q264 CarbonylContact O-C 3.57Å; V262-Q264 VanDerWaalsContact C-N 3.26Å; V262-Q264 PolarHBondContact O-N 2.83Å; Q264-S266 PolarHBondContact O-N 3.17Å; Q264-E267 PolarHBondContact O-N 3.05Å; Q264-A268 WeakPolarHBondContact O-CB 3.37Å; Q264-A268 PolarHBondContact O-N 3.25Å
265	A	95.3	Very high	93.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.5	-48.6	-170.3	0	0	0	0	0	112.1	A261 V262 E267 A268 V269 H317 A321	A261-A265 WeakPolarHBondContact O-CA 3.32Å; A261-A265 PolarHBondContact O-N 3.39Å; V262-A265 VanDerWaalsContact O-CB 3.25Å; V262-A265 WeakPolarHBondContact O-CB 3.38Å; V262-A265 PolarHBondContact O-N 3.24Å; A265-E267 PolarHBondContact O-N 3.42Å; A265-A268 PolarHBondContact O-N 3.38Å; A265-V269 WeakPolarHBondContact O-CB 3.48Å; A265-V269 VanDerWaalsContact O-CG2 3.22Å; A265-V269 WeakPolarHBondContact O-CG2 3.43Å; A265-V269 PolarHBondContact O-N 3Å; A265-H317 WeakPolarHBondContact CB-CE1 3.35Å; A265-A321 HydrophobicContact CB-CB 4.09Å
266	S	95.9	Very high	93.9	Very high	23 Å²	23	60.2 Å²	60.2	16%	0.161	33%	0.329	C	S	.	.	H	α-helix	trans	-54.6	-52.4	178.3	-176.5	0	0	0	0	112.5	Q264 Y270 Q324	Q264-S266 PolarHBondContact O-N 3.17Å; S266-Y270 WeakPolarHBondContact O-CD2 3.18Å; S266-Y270 PolarHBondContact O-N 3.45Å; S266-Q324 VanDerWaalsContact N-OE1 3.16Å
267	E	96.1	Very high	94.2	Very high	146 Å²	146	57.2 Å²	57.2	68%	0.682	31%	0.31	S	S	*	.	H	α-helix	trans	-66.1	-48	-179	-172.7	-179.9	164.6	0	0	111.7	Q264 A265 K271	Q264-E267 PolarHBondContact O-N 3.05Å; A265-E267 PolarHBondContact O-N 3.42Å; E267-K271 WeakPolarHBondContact O-CB 3.16Å; E267-K271 PolarHBondContact O-N 3.41Å
268	A	96.8	Very high	94.5	Very high	21 Å²	21	59.3 Å²	59.3	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-67.1	-42.4	-173.6	0	0	0	0	0	112.7	Q264 A265 L272 L435	Q264-A268 WeakPolarHBondContact O-CB 3.37Å; Q264-A268 PolarHBondContact O-N 3.25Å; A265-A268 PolarHBondContact O-N 3.38Å; A268-L272 WeakPolarHBondContact O-CB 3.2Å; A268-L272 PolarHBondContact O-N 3.2Å; A268-L435 HydrophobicContact CB-CD2 4.13Å
269	V	98.3	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.5	-46.2	179.8	167.3	0	0	0	0	111.4	A265 L272 A273 V283 L287 L318 A321 F431 L435	A265-V269 WeakPolarHBondContact O-CB 3.48Å; A265-V269 VanDerWaalsContact O-CG2 3.22Å; A265-V269 WeakPolarHBondContact O-CG2 3.43Å; A265-V269 PolarHBondContact O-N 3Å; V269-L272 WeakPolarHBondContact O-CB 3.09Å; V269-L272 PolarHBondContact O-N 2.93Å; V269-A273 PolarHBondContact O-N 3.03Å; V269-V283 HydrophobicContact CG1-CG1 3.95Å; V269-L287 HydrophobicContact CG1-CD1 3.97Å; V269-L287 HydrophobicContact CG1-CD2 4Å; V269-L287 HydrophobicContact CG1-CG 4.31Å; V269-L318 HydrophobicContact CG1-CD2 3.69Å; V269-A321 HydrophobicContact CB-CB 3.79Å; V269-A321 HydrophobicContact CG1-CB 4.01Å; V269-A321 HydrophobicContact CG2-CB 3.83Å; V269-F431 HydrophobicContact CG2-CE2 4.28Å; V269-F431 HydrophobicContact CG2-CZ 4.12Å; V269-L435 HydrophobicContact CG2-CD1 3.69Å
270	Y	98.4	Very high	95.7	Very high	27 Å²	27	54.4 Å²	54.4	11%	0.106	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-36.3	180	-81	-93.9	0	0	0	111.7	S266 L272 A273 E274 L287 E291 R325	S266-Y270 WeakPolarHBondContact O-CD2 3.18Å; S266-Y270 PolarHBondContact O-N 3.45Å; Y270-L272 VanDerWaalsContact C-N 3.29Å; Y270-L272 PolarHBondContact O-N 3.15Å; Y270-A273 WeakPolarHBondContact O-CB 3.3Å; Y270-A273 PolarHBondContact O-N 2.98Å; Y270-E274 WeakPolarHBondContact O-CG 3.48Å; Y270-E274 PolarHBondContact O-N 3.34Å; Y270-L287 HydrophobicContact CD1-CD1 4.08Å; Y270-L287 HydrophobicContact CD2-CD1 4.48Å; Y270-L287 HydrophobicContact CE1-CD1 3.98Å; Y270-L287 HydrophobicContact CE2-CD1 4.43Å; Y270-L287 HydrophobicContact CE2-CD2 4.27Å; Y270-L287 HydrophobicContact CG-CD1 4.35Å; Y270-E291 WeakPolarHBondContact CE1-OE1 3.18Å; Y270-E291 PolarHBondContact OH-OE1 3.29Å; Y270-R325 HydrophobicContact CD2-CB 4.37Å; Y270-R325 HydrophobicContact CD2-CG 4.29Å; Y270-R325 HydrophobicContact CE1-CG 4.2Å; Y270-R325 HydrophobicContact CE2-CB 3.56Å; Y270-R325 HydrophobicContact CE2-CG 3.71Å
271	K	98.1	Very high	96.2	Very high	148 Å²	148	56.5 Å²	56.5	64%	0.643	31%	0.311	S	S	*	.	H	α-helix	trans	-60	-39.8	170.9	-176.9	178.8	179.4	179.5	0	112.1	E267 E274 S275	E267-K271 WeakPolarHBondContact O-CB 3.16Å; E267-K271 PolarHBondContact O-N 3.41Å; K271-E274 PolarHBondContact O-N 3.07Å; K271-S275 PolarHBondContact O-N 3.25Å
272	L	98.1	Very high	96.6	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-42.5	174.3	179.5	57.6	0	0	0	111.3	A268 V269 Y270 E274 S275 L279 G280 V283 F431 L435	A268-L272 WeakPolarHBondContact O-CB 3.2Å; A268-L272 PolarHBondContact O-N 3.2Å; V269-L272 WeakPolarHBondContact O-CB 3.09Å; V269-L272 PolarHBondContact O-N 2.93Å; Y270-L272 VanDerWaalsContact C-N 3.29Å; Y270-L272 PolarHBondContact O-N 3.15Å; L272-E274 VanDerWaalsContact C-N 3.25Å; L272-E274 PolarHBondContact O-N 2.69Å; L272-S275 VanDerWaalsContact O-CB 3.25Å; L272-S275 WeakPolarHBondContact O-CB 3.45Å; L272-S275 PolarHBondContact O-N 2.83Å; L272-S275 VanDerWaalsContact O-N 3.13Å; L272-S275 PolarHBondContact O-OG 3.25Å; L272-L279 HydrophobicContact CD2-CD2 4.12Å; L272-L279 HydrophobicContact CD2-CG 4.4Å; L272-G280 WeakPolarHBondContact O-CA 3.49Å; L272-V283 HydrophobicContact CD2-CG2 3.95Å; L272-V283 HydrophobicContact CG-CG2 4.2Å; L272-F431 HydrophobicContact CD2-CD2 3.97Å; L272-F431 HydrophobicContact CD2-CE2 4.38Å; L272-L435 HydrophobicContact CD2-CD1 4.12Å; L272-L435 HydrophobicContact CD2-CD2 4.21Å; L272-L435 HydrophobicContact CD2-CG 4.18Å
273	A	98.3	Very high	96.9	Very high	16 Å²	16	58.8 Å²	58.8	13%	0.132	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-38	176	0	0	0	0	0	112.5	V269 Y270 S275 V283 A284 L287	V269-A273 PolarHBondContact O-N 3.03Å; Y270-A273 WeakPolarHBondContact O-CB 3.3Å; Y270-A273 PolarHBondContact O-N 2.98Å; A273-S275 VanDerWaalsContact C-N 3.33Å; A273-V283 HydrophobicContact CB-CB 4.45Å; A273-V283 HydrophobicContact CB-CG1 3.88Å; A273-A284 HydrophobicContact CB-CB 4.17Å; A273-L287 HydrophobicContact CB-CD1 3.78Å
274	E	98	Very high	97.3	Very high	153 Å²	153	53.9 Å²	53.9	72%	0.715	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.5	-179.3	-67.2	170.9	-173	0	0	113.6	Y270 K271 L272 G276	Y270-E274 WeakPolarHBondContact O-CG 3.48Å; Y270-E274 PolarHBondContact O-N 3.34Å; K271-E274 PolarHBondContact O-N 3.07Å; L272-E274 VanDerWaalsContact C-N 3.25Å; L272-E274 PolarHBondContact O-N 2.69Å; E274-G276 VanDerWaalsContact C-N 3.27Å; E274-G276 PolarHBondContact O-N 2.93Å
275	S	97.1	Very high	97.6	Very high	64 Å²	64	51.8 Å²	51.8	45%	0.448	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.1	-173.6	67.4	0	0	0	0	115.1	K271 L272 A273 S277	K271-S275 PolarHBondContact O-N 3.25Å; L272-S275 VanDerWaalsContact O-CB 3.25Å; L272-S275 WeakPolarHBondContact O-CB 3.45Å; L272-S275 PolarHBondContact O-N 2.83Å; L272-S275 VanDerWaalsContact O-N 3.13Å; L272-S275 PolarHBondContact O-OG 3.25Å; A273-S275 VanDerWaalsContact C-N 3.33Å; S275-S277 PolarHBondContact O-N 3.1Å; S275-S277 PolarHBondContact OG-N 3.02Å; S275-S277 PolarHBondContact OG-OG 3.14Å
276	G	94.8	Very high	97.7	Very high	63 Å²	63	51.8 Å²	51.8	65%	0.649	30%	0.301	S	S	*	.			trans	69.5	9.1	-172.2	0	0	0	0	0	114.5	E274	E274-G276 VanDerWaalsContact C-N 3.27Å; E274-G276 PolarHBondContact O-N 2.93Å
277	S	97.6	Very high	97.8	Very high	44 Å²	44	51 Å²	51	31%	0.308	30%	0.295	S	S	.	.	S	Bend	trans	-77.6	159.5	171.9	67.2	0	0	0	0	111.4	S275 L279 G280 E281	S275-S277 PolarHBondContact O-N 3.1Å; S275-S277 PolarHBondContact OG-N 3.02Å; S275-S277 PolarHBondContact OG-OG 3.14Å; S277-L279 VanDerWaalsContact C-N 3.28Å; S277-L279 PolarHBondContact O-N 3.05Å; S277-G280 CarbonylContact O-C 3.53Å; S277-G280 WeakPolarHBondContact O-CA 3.26Å; S277-G280 PolarHBondContact O-N 2.79Å; S277-G280 PolarHBondContact OG-N 3.23Å; S277-E281 PolarHBondContact O-N 3.14Å
278	S	97.4	Very high	98	Very high	84 Å²	84	50.4 Å²	50.4	59%	0.587	29%	0.292	S	S	*	.	H	α-helix	trans	-57.6	-41	176.2	-178.3	0	0	0	0	112.3	E281 K282	S278-E281 PolarHBondContact O-N 3.24Å; S278-K282 WeakPolarHBondContact O-CG 3.49Å; S278-K282 PolarHBondContact O-N 3.46Å
279	L	98	Very high	98	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-40	172.6	-178.2	62.7	0	0	0	111.6	L272 S277 E281 K282 V283 W423 D427 D430 F431	L272-L279 HydrophobicContact CD2-CD2 4.12Å; L272-L279 HydrophobicContact CD2-CG 4.4Å; S277-L279 VanDerWaalsContact C-N 3.28Å; S277-L279 PolarHBondContact O-N 3.05Å; L279-E281 VanDerWaalsContact C-N 3.32Å; L279-E281 PolarHBondContact O-N 3.26Å; L279-K282 WeakPolarHBondContact O-CB 3.22Å; L279-K282 PolarHBondContact O-N 3.21Å; L279-K282 VanDerWaalsContact O-N 3.11Å; L279-V283 HydrophobicContact CG-CG2 4.37Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 2.9Å; L279-W423 HydrophobicContact CD1-CZ3 4.47Å; L279-D427 HydrophobicContact CD1-CB 4.05Å; L279-D430 HydrophobicContact CD2-CB 3.85Å; L279-F431 HydrophobicContact CD1-CB 4.35Å; L279-F431 HydrophobicContact CD2-CB 4.42Å
280	G	98.3	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.6	-42.5	175.5	0	0	0	0	0	113.1	L272 S277 K282 V283 A284	L272-G280 WeakPolarHBondContact O-CA 3.49Å; S277-G280 CarbonylContact O-C 3.53Å; S277-G280 WeakPolarHBondContact O-CA 3.26Å; S277-G280 PolarHBondContact O-N 2.79Å; S277-G280 PolarHBondContact OG-N 3.23Å; G280-K282 VanDerWaalsContact C-N 3.35Å; G280-K282 PolarHBondContact O-N 3.39Å; G280-V283 PolarHBondContact O-N 3.44Å; G280-A284 WeakPolarHBondContact O-CB 3.36Å; G280-A284 PolarHBondContact O-N 3.17Å
281	E	98.3	Very high	98.1	Very high	134 Å²	134	51.5 Å²	51.5	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-62.1	-40.5	174.6	-66.9	175.9	177.2	0	0	112.2	S277 S278 L279 A284 G285	S277-E281 PolarHBondContact O-N 3.14Å; S278-E281 PolarHBondContact O-N 3.24Å; L279-E281 VanDerWaalsContact C-N 3.32Å; L279-E281 PolarHBondContact O-N 3.26Å; E281-A284 PolarHBondContact O-N 3.15Å; E281-G285 PolarHBondContact O-N 3.17Å
282	K	98.3	Very high	98.1	Very high	68 Å²	68	47 Å²	47	30%	0.296	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175	-63.7	-68.9	-177.5	174.2	0	112	S278 L279 G280 G285 A286 D422 W423	S278-K282 WeakPolarHBondContact O-CG 3.49Å; S278-K282 PolarHBondContact O-N 3.46Å; L279-K282 WeakPolarHBondContact O-CB 3.22Å; L279-K282 PolarHBondContact O-N 3.21Å; L279-K282 VanDerWaalsContact O-N 3.11Å; G280-K282 VanDerWaalsContact C-N 3.35Å; G280-K282 PolarHBondContact O-N 3.39Å; K282-G285 PolarHBondContact O-N 2.89Å; K282-A286 WeakPolarHBondContact O-CB 3.49Å; K282-A286 PolarHBondContact O-N 3.28Å; K282-D422 WeakPolarHBondContact CE-O 3.17Å; K282-D422 PolarHBondContact NZ-O 2.62Å; K282-W423 HydrophobicContact CB-CZ2 4.42Å; K282-W423 PolarHBondContact O-NE1 2.93Å
283	V	98.8	Very high	98.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-45.6	174.9	174.2	0	0	0	0	110.6	V269 L272 A273 L279 G280 G285 A286 L287 L318 W423 F431	V269-V283 HydrophobicContact CG1-CG1 3.95Å; L272-V283 HydrophobicContact CD2-CG2 3.95Å; L272-V283 HydrophobicContact CG-CG2 4.2Å; A273-V283 HydrophobicContact CB-CB 4.45Å; A273-V283 HydrophobicContact CB-CG1 3.88Å; L279-V283 HydrophobicContact CG-CG2 4.37Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 2.9Å; G280-V283 PolarHBondContact O-N 3.44Å; V283-G285 PolarHBondContact O-N 2.88Å; V283-A286 PolarHBondContact O-N 2.73Å; V283-L287 HydrophobicContact CG1-CD1 4.04Å; V283-L287 HydrophobicContact CG1-CG 4.35Å; V283-L287 WeakPolarHBondContact O-CB 3.35Å; V283-L287 WeakPolarHBondContact O-CG 3.18Å; V283-L287 PolarHBondContact O-N 3.49Å; V283-L318 HydrophobicContact CG1-CD2 3.9Å; V283-W423 HydrophobicContact CG2-CH2 3.83Å; V283-W423 HydrophobicContact CG2-CZ2 3.9Å; V283-F431 HydrophobicContact CG2-CD2 3.74Å; V283-F431 HydrophobicContact CG2-CE2 3.98Å
284	A	98.5	Very high	98	Very high	41 Å²	41	47.1 Å²	47.1	34%	0.339	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-44.5	177.7	0	0	0	0	0	112.1	A273 G280 E281 L287 Q288	A273-A284 HydrophobicContact CB-CB 4.17Å; G280-A284 WeakPolarHBondContact O-CB 3.36Å; G280-A284 PolarHBondContact O-N 3.17Å; E281-A284 PolarHBondContact O-N 3.15Å; A284-L287 PolarHBondContact O-N 2.92Å; A284-Q288 WeakPolarHBondContact O-CB 3.46Å; A284-Q288 PolarHBondContact O-N 3.42Å
285	G	98.4	Very high	98	Very high	32 Å²	32	44.1 Å²	44.1	33%	0.33	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-39.2	175.9	0	0	0	0	0	113.5	E281 K282 V283 Q288 T289	E281-G285 PolarHBondContact O-N 3.17Å; K282-G285 PolarHBondContact O-N 2.89Å; V283-G285 PolarHBondContact O-N 2.88Å; G285-Q288 PolarHBondContact O-N 3.37Å; G285-T289 PolarHBondContact O-N 2.94Å; G285-T289 PolarHBondContact O-OG1 3.03Å
286	A	98.6	Very high	98	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-45.7	175	0	0	0	0	0	111.5	K282 V283 Q288 T289 I290 L318 P419 L420 W423	K282-A286 WeakPolarHBondContact O-CB 3.49Å; K282-A286 PolarHBondContact O-N 3.28Å; V283-A286 PolarHBondContact O-N 2.73Å; A286-Q288 VanDerWaalsContact C-N 3.34Å; A286-Q288 PolarHBondContact O-N 3.38Å; A286-T289 WeakPolarHBondContact O-CB 3.27Å; A286-T289 PolarHBondContact O-N 3.23Å; A286-I290 WeakPolarHBondContact O-CG1 3.48Å; A286-I290 PolarHBondContact O-N 3.49Å; A286-L318 HydrophobicContact CB-CD1 4.03Å; A286-P419 HydrophobicContact CB-CB 4.03Å; A286-P419 WeakPolarHBondContact CB-O 3.33Å; A286-L420 HydrophobicContact CB-CD2 4.24Å; A286-W423 HydrophobicContact CB-CZ2 4.1Å
287	L	98.7	Very high	98.1	Very high	5 Å²	5	45 Å²	45	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-43.2	174.8	-73.8	173.6	0	0	0	111.5	V269 Y270 A273 V283 A284 T289 I290 E291 L318 A322	V269-L287 HydrophobicContact CG1-CD1 3.97Å; V269-L287 HydrophobicContact CG1-CD2 4Å; V269-L287 HydrophobicContact CG1-CG 4.31Å; Y270-L287 HydrophobicContact CD1-CD1 4.08Å; Y270-L287 HydrophobicContact CD2-CD1 4.48Å; Y270-L287 HydrophobicContact CE1-CD1 3.98Å; Y270-L287 HydrophobicContact CE2-CD1 4.43Å; Y270-L287 HydrophobicContact CE2-CD2 4.27Å; Y270-L287 HydrophobicContact CG-CD1 4.35Å; A273-L287 HydrophobicContact CB-CD1 3.78Å; V283-L287 HydrophobicContact CG1-CD1 4.04Å; V283-L287 HydrophobicContact CG1-CG 4.35Å; V283-L287 WeakPolarHBondContact O-CB 3.35Å; V283-L287 WeakPolarHBondContact O-CG 3.18Å; V283-L287 PolarHBondContact O-N 3.49Å; A284-L287 PolarHBondContact O-N 2.92Å; L287-T289 VanDerWaalsContact C-N 3.28Å; L287-T289 PolarHBondContact O-N 2.91Å; L287-I290 PolarHBondContact O-N 3.43Å; L287-I290 VanDerWaalsContact O-N 3.14Å; L287-E291 WeakPolarHBondContact O-CB 3.18Å; L287-E291 VanDerWaalsContact O-CG 3.26Å; L287-E291 WeakPolarHBondContact O-CG 3.44Å; L287-E291 PolarHBondContact O-N 2.6Å; L287-L318 HydrophobicContact CD2-CD2 4.4Å; L287-A322 HydrophobicContact CD2-CB 4.18Å
288	Q	98.4	Very high	98	Very high	135 Å²	135	45.3 Å²	45.3	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-58	-42.4	177	-174.3	-179.5	15.9	0	0	112	A284 G285 A286 T292	A284-Q288 WeakPolarHBondContact O-CB 3.46Å; A284-Q288 PolarHBondContact O-N 3.42Å; G285-Q288 PolarHBondContact O-N 3.37Å; A286-Q288 VanDerWaalsContact C-N 3.34Å; A286-Q288 PolarHBondContact O-N 3.38Å; Q288-T292 WeakPolarHBondContact O-CB 3.33Å; Q288-T292 PolarHBondContact O-N 3.49Å; Q288-T292 PolarHBondContact O-OG1 2.86Å
289	T	98.7	Very high	97.8	Very high	20 Å²	20	42.2 Å²	42.2	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-45.8	176.1	-58.4	0	0	0	0	111	G285 A286 L287 T292 A293 P403 F404 I417 P419	G285-T289 PolarHBondContact O-N 2.94Å; G285-T289 PolarHBondContact O-OG1 3.03Å; A286-T289 WeakPolarHBondContact O-CB 3.27Å; A286-T289 PolarHBondContact O-N 3.23Å; L287-T289 VanDerWaalsContact C-N 3.28Å; L287-T289 PolarHBondContact O-N 2.91Å; T289-T292 PolarHBondContact O-N 3.36Å; T289-A293 PolarHBondContact O-N 3.1Å; T289-A293 VanDerWaalsContact O-N 3.09Å; T289-P403 HydrophobicContact CG2-CB 3.9Å; T289-F404 HydrophobicContact CG2-CE2 3.8Å; T289-F404 HydrophobicContact CG2-CZ 4.15Å; T289-F404 WeakPolarHBondContact O-CZ 3.28Å; T289-I417 HydrophobicContact CG2-CG2 3.91Å; T289-P419 HydrophobicContact CG2-CB 4.28Å; T289-P419 HydrophobicContact CG2-CG 4.09Å
290	I	98.7	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-46.9	178.9	-70.2	165.8	0	0	0	111.4	A286 L287 T292 A293 L294 L315 L318 F319 A322 L388 P419	A286-I290 WeakPolarHBondContact O-CG1 3.48Å; A286-I290 PolarHBondContact O-N 3.49Å; L287-I290 PolarHBondContact O-N 3.43Å; L287-I290 VanDerWaalsContact O-N 3.14Å; I290-T292 VanDerWaalsContact C-N 3.28Å; I290-T292 PolarHBondContact O-N 3.27Å; I290-A293 WeakPolarHBondContact O-CA 3.38Å; I290-A293 WeakPolarHBondContact O-CB 3.35Å; I290-A293 PolarHBondContact O-N 2.88Å; I290-A293 VanDerWaalsContact O-N 3.07Å; I290-L294 HydrophobicContact CG2-CD1 4.08Å; I290-L294 HydrophobicContact CG2-CG 4.41Å; I290-L294 WeakPolarHBondContact O-CG 3.36Å; I290-L294 PolarHBondContact O-N 3.13Å; I290-L315 HydrophobicContact CD1-CD1 4.28Å; I290-L318 HydrophobicContact CD1-CB 3.69Å; I290-F319 HydrophobicContact CG2-CD2 3.74Å; I290-F319 HydrophobicContact CG2-CE2 4.4Å; I290-A322 HydrophobicContact CG2-CB 3.54Å; I290-L388 HydrophobicContact CG1-CD2 4.17Å; I290-P419 HydrophobicContact CD1-CB 4.16Å; I290-P419 HydrophobicContact CD1-CG 4.15Å; I290-P419 HydrophobicContact CG1-CB 3.95Å; I290-P419 HydrophobicContact CG1-CG 3.58Å
291	E	98.4	Very high	97.5	Very high	51 Å²	51	46.7 Å²	46.7	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-35.9	179.2	-70.6	-176.3	-176.4	0	0	111.7	Y270 L287 A293 L294 A295 K326	Y270-E291 WeakPolarHBondContact CE1-OE1 3.18Å; Y270-E291 PolarHBondContact OH-OE1 3.29Å; L287-E291 WeakPolarHBondContact O-CB 3.18Å; L287-E291 VanDerWaalsContact O-CG 3.26Å; L287-E291 WeakPolarHBondContact O-CG 3.44Å; L287-E291 PolarHBondContact O-N 2.6Å; E291-A293 VanDerWaalsContact C-N 3.31Å; E291-A293 PolarHBondContact O-N 3.45Å; E291-L294 PolarHBondContact O-N 2.84Å; E291-A295 PolarHBondContact O-N 3.26Å; E291-K326 VanDerWaalsContact CD-NZ 3.27Å; E291-K326 HydrophobicContact CG-CG 4.42Å; E291-K326 WeakPolarHBondContact OE1-CE 3.4Å; E291-K326 IonicContact OE1-NZ 3.35Å; E291-K326 PolarHBondContact OE1-NZ 3.34Å; E291-K326 WeakPolarHBondContact OE2-CE 3.42Å; E291-K326 IonicContact OE2-NZ 2.78Å; E291-K326 PolarHBondContact OE2-NZ 2.81Å
292	T	98.5	Very high	97.4	Very high	54 Å²	54	40.4 Å²	40.4	33%	0.331	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-40	172.5	-60	0	0	0	0	111.1	Q288 T289 I290 A295 Q296 F404	Q288-T292 WeakPolarHBondContact O-CB 3.33Å; Q288-T292 PolarHBondContact O-N 3.49Å; Q288-T292 PolarHBondContact O-OG1 2.86Å; T289-T292 PolarHBondContact O-N 3.36Å; I290-T292 VanDerWaalsContact C-N 3.28Å; I290-T292 PolarHBondContact O-N 3.27Å; T292-A295 PolarHBondContact O-N 3.37Å; T292-Q296 WeakPolarHBondContact O-CG 3.42Å; T292-Q296 PolarHBondContact O-N 3.24Å; T292-F404 HydrophobicContact CG2-CE2 4.03Å; T292-F404 HydrophobicContact CG2-CZ 3.83Å
293	A	98.2	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-43.1	174.4	0	0	0	0	0	112.2	T289 I290 E291 A295 Q296 Y297 F404 I417	T289-A293 PolarHBondContact O-N 3.1Å; T289-A293 VanDerWaalsContact O-N 3.09Å; I290-A293 WeakPolarHBondContact O-CA 3.38Å; I290-A293 WeakPolarHBondContact O-CB 3.35Å; I290-A293 PolarHBondContact O-N 2.88Å; I290-A293 VanDerWaalsContact O-N 3.07Å; E291-A293 VanDerWaalsContact C-N 3.31Å; E291-A293 PolarHBondContact O-N 3.45Å; A293-A295 PolarHBondContact O-N 3.2Å; A293-Q296 PolarHBondContact O-N 3.02Å; A293-Y297 WeakPolarHBondContact O-CD2 3.41Å; A293-Y297 PolarHBondContact O-N 3.1Å; A293-F404 HydrophobicContact CB-CE1 3.98Å; A293-F404 HydrophobicContact CB-CZ 4.12Å; A293-I417 HydrophobicContact CB-CD1 3.55Å; A293-I417 HydrophobicContact CB-CG1 4.37Å; A293-I417 HydrophobicContact CB-CG2 4.26Å
294	L	97.4	Very high	97.3	Very high	26 Å²	26	37.2 Å²	37.2	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-24.9	176.4	-70.2	173.9	0	0	0	112.9	I290 E291 L299 L302 F319 A322 V323 L327	I290-L294 HydrophobicContact CG2-CD1 4.08Å; I290-L294 HydrophobicContact CG2-CG 4.41Å; I290-L294 WeakPolarHBondContact O-CG 3.36Å; I290-L294 PolarHBondContact O-N 3.13Å; E291-L294 PolarHBondContact O-N 2.84Å; L294-L299 HydrophobicContact CD2-CD2 3.7Å; L294-L302 HydrophobicContact CD2-CD1 3.97Å; L294-F319 HydrophobicContact CD2-CE2 3.79Å; L294-F319 HydrophobicContact CD2-CZ 4.26Å; L294-F319 HydrophobicContact CG-CE2 4.33Å; L294-A322 HydrophobicContact CD1-CB 3.99Å; L294-V323 HydrophobicContact CD1-CG2 4.15Å; L294-V323 HydrophobicContact CD2-CG2 3.95Å; L294-L327 HydrophobicContact CD2-CD1 4.39Å
295	A	97.3	Very high	97.2	Very high	91 Å²	91	36 Å²	36	75%	0.752	21%	0.212	S	C	*	.	H	α-helix	trans	-78.2	-21.7	172.8	0	0	0	0	0	113.5	E291 T292 A293	E291-A295 PolarHBondContact O-N 3.26Å; T292-A295 PolarHBondContact O-N 3.37Å; A293-A295 PolarHBondContact O-N 3.2Å
296	Q	97.6	Very high	97	Very high	112 Å²	112	34.6 Å²	34.6	52%	0.523	20%	0.197	S	C	.	.	H	α-helix	trans	-100.3	-30.9	-177	-69.3	177.1	21.9	0	0	113.2	T292 A293	T292-Q296 WeakPolarHBondContact O-CG 3.42Å; T292-Q296 PolarHBondContact O-N 3.24Å; A293-Q296 PolarHBondContact O-N 3.02Å
297	Y	96.6	Very high	96.6	Very high	32 Å²	32	38.7 Å²	38.7	13%	0.125	22%	0.219	C	C	.	.	S	Bend	trans	-128.7	139.1	-172.8	-56.6	-80.5	0	0	0	110.8	A293 Q301 L302 E385 A386 M415	A293-Y297 WeakPolarHBondContact O-CD2 3.41Å; A293-Y297 PolarHBondContact O-N 3.1Å; Y297-Q301 HydrophobicContact CD1-CB 4.39Å; Y297-L302 HydrophobicContact CD2-CD2 4.1Å; Y297-L302 HydrophobicContact CG-CD2 4.12Å; Y297-L302 HydrophobicContact CG-CG 4.42Å; Y297-E385 HydrophobicContact CD1-CB 4.06Å; Y297-E385 HydrophobicContact CE1-CB 3.91Å; Y297-A386 HydrophobicContact CD1-CB 4.2Å; Y297-A386 HydrophobicContact CD2-CB 4.07Å; Y297-A386 HydrophobicContact CE1-CB 4.07Å; Y297-A386 HydrophobicContact CE2-CB 3.94Å; Y297-A386 HydrophobicContact CG-CB 4.2Å; Y297-M415 WeakPolarHBondContact OH-CB 3.49Å
298	S	94.3	Very high	96.3	Very high	51 Å²	51	38.4 Å²	38.4	36%	0.357	22%	0.218	S	C	.	.			trans	-69.3	159.8	167.4	67.5	0	0	0	0	111.3	T300 Q301 L302	S298-T300 PolarHBondContact O-N 3.1Å; S298-T300 VanDerWaalsContact O-N 3.14Å; S298-T300 PolarHBondContact OG-OG1 3.27Å; S298-Q301 WeakPolarHBondContact O-CB 3.29Å; S298-Q301 PolarHBondContact O-N 2.79Å; S298-Q301 WeakPolarHBondContact OG-CG 3.46Å; S298-Q301 PolarHBondContact OG-N 2.84Å; S298-Q301 PolarHBondContact OG-OE1 3Å; S298-L302 PolarHBondContact O-N 2.95Å
299	L	94.3	Very high	96.1	Very high	20 Å²	20	32.3 Å²	32.3	11%	0.105	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.7	176.6	-64.6	-176.3	0	0	0	113.3	L294 Q301 L302 F319 V323 L327 V330 L334 Q335	L294-L299 HydrophobicContact CD2-CD2 3.7Å; L299-Q301 VanDerWaalsContact C-N 3.3Å; L299-L302 PolarHBondContact O-N 2.64Å; L299-L302 VanDerWaalsContact O-O 3.06Å; L299-F319 HydrophobicContact CD2-CZ 4.13Å; L299-V323 HydrophobicContact CD1-CG1 3.89Å; L299-V323 HydrophobicContact CD2-CG1 4.27Å; L299-V323 HydrophobicContact CD2-CG2 3.74Å; L299-L327 HydrophobicContact CD1-CD1 4Å; L299-L327 HydrophobicContact CD2-CD1 4Å; L299-L327 HydrophobicContact CG-CD1 3.87Å; L299-V330 HydrophobicContact CD1-CB 4.36Å; L299-V330 HydrophobicContact CD1-CG1 3.78Å; L299-L334 HydrophobicContact CD1-CD2 4.45Å; L299-L334 HydrophobicContact CD2-CD2 4.42Å; L299-Q335 PolarHBondContact O-NE2 3.06Å
300	T	93.7	Very high	96	Very high	65 Å²	65	31.4 Å²	31.4	40%	0.399	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.3	176.1	49.9	0	0	0	0	113.2	S298 Q335 L384	S298-T300 PolarHBondContact O-N 3.1Å; S298-T300 VanDerWaalsContact O-N 3.14Å; S298-T300 PolarHBondContact OG-OG1 3.27Å; T300-Q335 PolarHBondContact O-NE2 3.39Å; T300-Q335 VanDerWaalsContact O-NE2 3.11Å; T300-L384 WeakPolarHBondContact O-CD2 3.24Å
301	Q	95.9	Very high	96	Very high	43 Å²	43	32.6 Å²	32.6	20%	0.201	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-10.2	176.5	-70.2	163.6	-60.8	0	0	113	Y297 S298 L299 Q383 E385 A386	Y297-Q301 HydrophobicContact CD1-CB 4.39Å; S298-Q301 WeakPolarHBondContact O-CB 3.29Å; S298-Q301 PolarHBondContact O-N 2.79Å; S298-Q301 WeakPolarHBondContact OG-CG 3.46Å; S298-Q301 PolarHBondContact OG-N 2.84Å; S298-Q301 PolarHBondContact OG-OE1 3Å; L299-Q301 VanDerWaalsContact C-N 3.3Å; Q301-Q383 WeakPolarHBondContact CA-O 3.46Å; Q301-Q383 WeakPolarHBondContact CG-O 3.46Å; Q301-E385 HydrophobicContact CB-CB 4.42Å; Q301-E385 HydrophobicContact CG-CG 4.44Å; Q301-E385 VanDerWaalsContact NE2-CD 3.31Å; Q301-E385 PolarHBondContact NE2-OE1 2.68Å; Q301-E385 PolarHBondContact O-N 3.23Å; Q301-A386 PolarHBondContact O-N 3.48Å; Q301-A386 VanDerWaalsContact O-N 3.13Å
302	L	96.4	Very high	95.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.4	-177.3	-69.8	166.9	0	0	0	111.7	L294 Y297 S298 L299 F319 Q335 A386 L388 I417	L294-L302 HydrophobicContact CD2-CD1 3.97Å; Y297-L302 HydrophobicContact CD2-CD2 4.1Å; Y297-L302 HydrophobicContact CG-CD2 4.12Å; Y297-L302 HydrophobicContact CG-CG 4.42Å; S298-L302 PolarHBondContact O-N 2.95Å; L299-L302 PolarHBondContact O-N 2.64Å; L299-L302 VanDerWaalsContact O-O 3.06Å; L302-F319 HydrophobicContact CB-CZ 4.46Å; L302-F319 HydrophobicContact CD1-CE2 4.37Å; L302-F319 HydrophobicContact CD1-CZ 4.32Å; L302-Q335 PolarHBondContact O-NE2 3.15Å; L302-A386 WeakPolarHBondContact CA-O 3.45Å; L302-A386 HydrophobicContact CD2-CB 3.65Å; L302-L388 HydrophobicContact CB-CD1 4.27Å; L302-L388 HydrophobicContact CD2-CD1 3.86Å; L302-I417 HydrophobicContact CD2-CD1 3.65Å
303	C	96.6	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.4	160.3	69.1	0	0	0	0	111.5	Q335 L364 L384 A386 V387 L388	C303-Q335 CarbonylContact C-O 3.55Å; C303-Q335 VanDerWaalsContact CA-O 3.27Å; C303-Q335 WeakPolarHBondContact CA-O 3.4Å; C303-Q335 HydrophobicContact CB-CB 3.82Å; C303-L364 HydrophobicContact CB-CD1 4.29Å; C303-L384 HydrophobicContact CB-CD2 4.18Å; C303-A386 PolarHBondContact N-O 3.48Å; C303-V387 CarbonylContact O-C 3.56Å; C303-V387 WeakPolarHBondContact O-CA 3.27Å; C303-L388 WeakPolarHBondContact O-CD1 3.46Å; C303-L388 PolarHBondContact O-N 3.47Å
304	V	97.8	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.1	174.6	-176.6	0	0	0	0	109.4	F306 L315 L316 F319 Q335 I336 L337 L388	V304-F306 PolarHBondContact O-N 2.86Å; V304-F306 VanDerWaalsContact O-N 3.17Å; V304-L315 HydrophobicContact CG1-CD2 4.03Å; V304-L315 HydrophobicContact CG1-CG 4.17Å; V304-L316 HydrophobicContact CG2-CD1 4.44Å; V304-F319 HydrophobicContact CG2-CB 4.33Å; V304-F319 HydrophobicContact CG2-CD1 3.41Å; V304-F319 VanDerWaalsContact CG2-CD1 3.41Å; V304-F319 HydrophobicContact CG2-CE1 3.87Å; V304-F319 HydrophobicContact CG2-CG 3.97Å; V304-Q335 PolarHBondContact N-O 2.8Å; V304-I336 HydrophobicContact CB-CG2 4.37Å; V304-I336 CarbonylContact O-C 3.38Å; V304-I336 VanDerWaalsContact O-CA 3.24Å; V304-I336 WeakPolarHBondContact O-CA 3.29Å; V304-L337 PolarHBondContact O-N 2.69Å; V304-L388 HydrophobicContact CG2-CB 4.3Å; V304-L388 HydrophobicContact CG2-CD1 4.34Å
305	G	96.3	Very high	95.9	Very high	16 Å²	16	26.7 Å²	26.7	17%	0.165	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	111.9	169.1	0	0	0	0	0	110.1	C312 L388	G305-C312 WeakPolarHBondContact O-CB 3.34Å; G305-L388 PolarHBondContact N-O 2.88Å
306	F	95.6	Very high	96	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.013	12%	0.124	C	C	.	.			trans	-133.7	119.7	-171.2	-170.2	-97.5	0	0	0	111.4	V304 C312 L316 I336 L337 Y338 F351 L352 T355	V304-F306 PolarHBondContact O-N 2.86Å; V304-F306 VanDerWaalsContact O-N 3.17Å; F306-C312 HydrophobicContact CD2-CB 3.85Å; F306-C312 WeakPolarHBondContact CD2-SG 3.33Å; F306-C312 HydrophobicContact CE2-CB 4.44Å; F306-L316 HydrophobicContact CD2-CB 4.21Å; F306-L316 HydrophobicContact CD2-CD2 3.98Å; F306-L316 HydrophobicContact CE2-CB 4.28Å; F306-L316 HydrophobicContact CE2-CD2 3.76Å; F306-L316 HydrophobicContact CZ-CD2 4.23Å; F306-I336 HydrophobicContact CB-CB 4Å; F306-I336 HydrophobicContact CB-CD1 4.35Å; F306-I336 HydrophobicContact CB-CG2 4.15Å; F306-I336 HydrophobicContact CD1-CD1 4.04Å; F306-I336 HydrophobicContact CG-CD1 4.5Å; F306-L337 PolarHBondContact N-O 3.32Å; F306-Y338 WeakPolarHBondContact O-CD2 3.46Å; F306-F351 HydrophobicContact CZ-CE1 4.09Å; F306-L352 HydrophobicContact CD1-CD1 3.43Å; F306-L352 VanDerWaalsContact CD1-CD1 3.43Å; F306-L352 HydrophobicContact CE1-CD1 3.47Å; F306-L352 VanDerWaalsContact CE1-CD1 3.47Å; F306-T355 HydrophobicContact CE1-CG2 4.09Å; F306-T355 HydrophobicContact CE2-CG2 4.47Å; F306-T355 HydrophobicContact CZ-CG2 3.74Å
307	N	90.1	Very high	96	Very high	86 Å²	86	17 Å²	17	46%	0.46	10%	0.099	S	C	.	.			trans	-120.7	12.3	178.6	67.7	3.6	0	0	0	113	G309 C312	N307-G309 PolarHBondContact O-N 2.9Å; N307-G309 WeakPolarHBondContact OD1-CA 3.48Å; N307-G309 PolarHBondContact OD1-N 3.41Å; N307-C312 PolarHBondContact N-SG 3.12Å; N307-C312 VanDerWaalsContact N-SG 3.45Å; N307-C312 PolarHBondContact OD1-SG 3.07Å
308	G	92.1	Very high	96.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	75.4	3.4	-175.3	0	0	0	0	0	115.1	L348 F351	G308-L348 WeakPolarHBondContact O-CD1 3.49Å; G308-F351 WeakPolarHBondContact O-CE1 3.44Å
309	G	94.5	Very high	96.3	Very high	6 Å²	6	13.2 Å²	13.2	6%	0.062	8%	0.077	C	C	.	.			trans	-68	162	173.2	0	0	0	0	0	113.4	N307 D311 C312 T313 Y443	N307-G309 PolarHBondContact O-N 2.9Å; N307-G309 WeakPolarHBondContact OD1-CA 3.48Å; N307-G309 PolarHBondContact OD1-N 3.41Å; G309-D311 VanDerWaalsContact C-N 3.3Å; G309-D311 PolarHBondContact O-N 3.47Å; G309-C312 PolarHBondContact N-SG 2.99Å; G309-C312 PolarHBondContact O-SG 3.49Å; G309-T313 VanDerWaalsContact O-CB 3.32Å; G309-T313 WeakPolarHBondContact O-CB 3.49Å; G309-T313 PolarHBondContact O-N 3Å; G309-T313 PolarHBondContact O-OG1 2.79Å; G309-Y443 WeakPolarHBondContact CA-OH 3.38Å
310	K	96.6	Very high	96.5	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-40.3	179.7	65.7	-177.9	-165.9	-53.1	0	112.3	T313 A314 Y425 I428 W429 L432 Y443 E485	K310-T313 WeakPolarHBondContact O-CB 3.11Å; K310-T313 PolarHBondContact O-N 3.28Å; K310-A314 PolarHBondContact O-N 2.89Å; K310-Y425 HydrophobicContact CD-CE2 4.34Å; K310-I428 HydrophobicContact CB-CG2 4.06Å; K310-I428 HydrophobicContact CD-CG2 4.1Å; K310-I428 HydrophobicContact CG-CG2 3.89Å; K310-W429 HydrophobicContact CB-CH2 3.97Å; K310-W429 HydrophobicContact CB-CZ2 4.15Å; K310-W429 HydrophobicContact CD-CH2 4.08Å; K310-W429 HydrophobicContact CD-CZ2 3.36Å; K310-W429 HydrophobicContact CG-CZ2 4.34Å; K310-L432 HydrophobicContact CB-CD1 3.98Å; K310-Y443 HydrophobicContact CB-CE1 4.41Å; K310-Y443 HydrophobicContact CB-CE2 4.05Å; K310-Y443 HydrophobicContact CD-CE1 4.17Å; K310-Y443 HydrophobicContact CG-CE1 4.36Å; K310-Y443 PolarHBondContact N-OH 2.8Å; K310-Y443 VanDerWaalsContact N-OH 3.13Å; K310-E485 IonicContact NZ-OE1 3.25Å; K310-E485 PolarHBondContact NZ-OE1 3.35Å
311	D	97.3	Very high	96.7	Very high	25 Å²	25	10.3 Å²	10.3	13%	0.134	6%	0.058	C	C	.	.	H	α-helix	trans	-72.7	-45.4	-172.6	-48.2	-75.7	0	0	0	111.4	G309 T313 A314 L315 G390 R392 L420 I428	G309-D311 VanDerWaalsContact C-N 3.3Å; G309-D311 PolarHBondContact O-N 3.47Å; D311-T313 VanDerWaalsContact C-N 3.26Å; D311-T313 PolarHBondContact O-N 3.43Å; D311-A314 PolarHBondContact O-N 3.13Å; D311-L315 PolarHBondContact O-N 2.67Å; D311-G390 WeakPolarHBondContact CB-O 3.34Å; D311-R392 IonicContact OD1-CZ 3.78Å; D311-R392 IonicContact OD1-NE 3.55Å; D311-R392 PolarHBondContact OD1-NE 2.97Å; D311-L420 WeakPolarHBondContact O-CD1 3.34Å; D311-I428 WeakPolarHBondContact OD1-CG1 3.37Å
312	C	96.6	Very high	96.7	Very high	6 Å²	6	8.2 Å²	8.2	4%	0.041	5%	0.049	C	C	.	.	H	α-helix	trans	-69.8	-24.9	174	67	0	0	0	0	112.5	G305 F306 N307 G309 L316	G305-C312 WeakPolarHBondContact O-CB 3.34Å; F306-C312 HydrophobicContact CD2-CB 3.85Å; F306-C312 WeakPolarHBondContact CD2-SG 3.33Å; F306-C312 HydrophobicContact CE2-CB 4.44Å; N307-C312 PolarHBondContact N-SG 3.12Å; N307-C312 VanDerWaalsContact N-SG 3.45Å; N307-C312 PolarHBondContact OD1-SG 3.07Å; G309-C312 PolarHBondContact N-SG 2.99Å; G309-C312 PolarHBondContact O-SG 3.49Å; C312-L316 WeakPolarHBondContact O-CB 3.43Å; C312-L316 PolarHBondContact O-N 2.63Å
313	T	98	Very high	96.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-68	-45.6	171.8	-58.5	0	0	0	0	111.4	G309 K310 D311 L316 H317 F351 L432 V437 P438	G309-T313 VanDerWaalsContact O-CB 3.32Å; G309-T313 WeakPolarHBondContact O-CB 3.49Å; G309-T313 PolarHBondContact O-N 3Å; G309-T313 PolarHBondContact O-OG1 2.79Å; K310-T313 WeakPolarHBondContact O-CB 3.11Å; K310-T313 PolarHBondContact O-N 3.28Å; D311-T313 VanDerWaalsContact C-N 3.26Å; D311-T313 PolarHBondContact O-N 3.43Å; T313-L316 PolarHBondContact O-N 3.31Å; T313-H317 PolarHBondContact O-N 3.17Å; T313-F351 HydrophobicContact CG2-CZ 4.1Å; T313-L432 HydrophobicContact CG2-CD2 3.98Å; T313-V437 HydrophobicContact CG2-CG1 3.92Å; T313-P438 WeakPolarHBondContact CG2-O 3.34Å
314	A	98.6	Very high	96.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60	-46.9	173.7	0	0	0	0	0	111.2	K310 D311 L316 H317 L318 L420 I428 F431 L432	K310-A314 PolarHBondContact O-N 2.89Å; D311-A314 PolarHBondContact O-N 3.13Å; A314-L316 PolarHBondContact O-N 2.91Å; A314-H317 PolarHBondContact O-N 3.36Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.32Å; A314-L420 HydrophobicContact CB-CD1 4.39Å; A314-I428 HydrophobicContact CB-CD1 4.17Å; A314-I428 HydrophobicContact CB-CG2 4.48Å; A314-F431 HydrophobicContact CB-CD1 3.8Å; A314-F431 HydrophobicContact CB-CE1 4.06Å; A314-L432 HydrophobicContact CB-CD2 4.11Å; A314-L432 HydrophobicContact CB-CG 4.41Å
315	L	98.7	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.7	-47.1	176.8	175.9	60.1	0	0	0	112.7	I290 V304 D311 H317 L318 F319 L388 G390 P419 L420	I290-L315 HydrophobicContact CD1-CD1 4.28Å; V304-L315 HydrophobicContact CG1-CD2 4.03Å; V304-L315 HydrophobicContact CG1-CG 4.17Å; D311-L315 PolarHBondContact O-N 2.67Å; L315-H317 VanDerWaalsContact C-N 3.27Å; L315-H317 PolarHBondContact O-N 2.96Å; L315-L318 PolarHBondContact O-N 3.16Å; L315-F319 WeakPolarHBondContact O-CB 3.45Å; L315-F319 PolarHBondContact O-N 3.45Å; L315-L388 HydrophobicContact CD1-CD2 4.42Å; L315-L388 HydrophobicContact CD2-CB 4.02Å; L315-G390 VanDerWaalsContact CD2-N 3.27Å; L315-P419 HydrophobicContact CD1-CB 4.13Å; L315-P419 HydrophobicContact CD1-CG 3.66Å; L315-L420 HydrophobicContact CB-CD1 3.85Å; L315-L420 HydrophobicContact CB-CG 4.42Å
316	L	98.5	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-42.3	179.4	176.3	64.6	0	0	0	110.8	V304 F306 C312 T313 A314 F319 H320 I336 T355 Y359 L361	V304-L316 HydrophobicContact CG2-CD1 4.44Å; F306-L316 HydrophobicContact CD2-CB 4.21Å; F306-L316 HydrophobicContact CD2-CD2 3.98Å; F306-L316 HydrophobicContact CE2-CB 4.28Å; F306-L316 HydrophobicContact CE2-CD2 3.76Å; F306-L316 HydrophobicContact CZ-CD2 4.23Å; C312-L316 WeakPolarHBondContact O-CB 3.43Å; C312-L316 PolarHBondContact O-N 2.63Å; T313-L316 PolarHBondContact O-N 3.31Å; A314-L316 PolarHBondContact O-N 2.91Å; L316-F319 PolarHBondContact O-N 2.99Å; L316-H320 VanDerWaalsContact O-CB 3.28Å; L316-H320 WeakPolarHBondContact O-CB 3.5Å; L316-H320 PolarHBondContact O-N 3.24Å; L316-I336 HydrophobicContact CD1-CG2 4.21Å; L316-T355 HydrophobicContact CD2-CG2 3.66Å; L316-Y359 HydrophobicContact CD2-CD2 4.3Å; L316-Y359 HydrophobicContact CD2-CE2 4.41Å; L316-Y359 HydrophobicContact CD2-CG 4.36Å; L316-Y359 HydrophobicContact CG-CD1 4.38Å; L316-Y359 HydrophobicContact CG-CE1 4.36Å; L316-L361 HydrophobicContact CD1-CD1 4.39Å; L316-L361 HydrophobicContact CD1-CD2 4.14Å; L316-L361 HydrophobicContact CD2-CD1 3.82Å
317	H	98.4	Very high	96.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-42.2	178.9	-167.2	65.6	0	0	0	112.4	A261 A265 T313 A314 L315 H320 A321 Y359 F431 V437	A261-H317 PolarHBondContact O-CE1 3.11Å; A265-H317 WeakPolarHBondContact CB-CE1 3.35Å; T313-H317 PolarHBondContact O-N 3.17Å; A314-H317 PolarHBondContact O-N 3.36Å; L315-H317 VanDerWaalsContact C-N 3.27Å; L315-H317 PolarHBondContact O-N 2.96Å; H317-H320 PolarHBondContact O-N 2.99Å; H317-A321 WeakPolarHBondContact O-CB 3.47Å; H317-A321 PolarHBondContact O-N 2.76Å; H317-Y359 AromaticContact ND1-CE1 3.86Å; H317-Y359 AromaticContact ND1-CZ 3.81Å; H317-Y359 PolarHBondContact ND1-OH 3.4Å; H317-F431 HydrophobicContact CB-CE1 4.32Å; H317-F431 AromaticContact CD2-CE1 4Å; H317-F431 AromaticContact CD2-CZ 3.81Å; H317-V437 HydrophobicContact CB-CG1 4.25Å; H317-V437 HydrophobicContact CB-CG2 4.48Å; H317-V437 VanDerWaalsContact CD2-CG2 3.46Å; H317-V437 WeakPolarHBondContact CD2-CG2 3.36Å
318	L	98.7	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-45.1	172.9	-71.1	165.4	0	0	0	112.1	V269 V283 A286 L287 I290 A314 L315 A321 A322 L420 W423 F431	V269-L318 HydrophobicContact CG1-CD2 3.69Å; V283-L318 HydrophobicContact CG1-CD2 3.9Å; A286-L318 HydrophobicContact CB-CD1 4.03Å; L287-L318 HydrophobicContact CD2-CD2 4.4Å; I290-L318 HydrophobicContact CD1-CB 3.69Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.32Å; L315-L318 PolarHBondContact O-N 3.16Å; L318-A321 PolarHBondContact O-N 3.1Å; L318-A322 PolarHBondContact O-N 2.95Å; L318-L420 HydrophobicContact CD1-CD2 3.64Å; L318-W423 HydrophobicContact CD1-CH2 3.92Å; L318-W423 HydrophobicContact CD1-CZ2 3.89Å; L318-F431 HydrophobicContact CD1-CZ 4.41Å; L318-F431 HydrophobicContact CD2-CE2 3.63Å; L318-F431 HydrophobicContact CD2-CZ 3.55Å; L318-F431 HydrophobicContact CG-CE1 4.2Å; L318-F431 HydrophobicContact CG-CE2 4.14Å; L318-F431 HydrophobicContact CG-CZ 3.61Å
319	F	98.3	Very high	95.6	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-45.1	178.8	-177.3	-118.3	0	0	0	111.2	I290 L294 L299 L302 V304 L315 L316 A321 A322 V323 L334 L388	I290-F319 HydrophobicContact CG2-CD2 3.74Å; I290-F319 HydrophobicContact CG2-CE2 4.4Å; L294-F319 HydrophobicContact CD2-CE2 3.79Å; L294-F319 HydrophobicContact CD2-CZ 4.26Å; L294-F319 HydrophobicContact CG-CE2 4.33Å; L299-F319 HydrophobicContact CD2-CZ 4.13Å; L302-F319 HydrophobicContact CB-CZ 4.46Å; L302-F319 HydrophobicContact CD1-CE2 4.37Å; L302-F319 HydrophobicContact CD1-CZ 4.32Å; V304-F319 HydrophobicContact CG2-CB 4.33Å; V304-F319 HydrophobicContact CG2-CD1 3.41Å; V304-F319 VanDerWaalsContact CG2-CD1 3.41Å; V304-F319 HydrophobicContact CG2-CE1 3.87Å; V304-F319 HydrophobicContact CG2-CG 3.97Å; L315-F319 WeakPolarHBondContact O-CB 3.45Å; L315-F319 PolarHBondContact O-N 3.45Å; L316-F319 PolarHBondContact O-N 2.99Å; F319-A321 PolarHBondContact O-N 2.97Å; F319-A322 PolarHBondContact O-N 2.78Å; F319-V323 HydrophobicContact CD2-CG2 4.35Å; F319-V323 HydrophobicContact CE1-CG2 4.2Å; F319-V323 HydrophobicContact CE2-CG2 4.01Å; F319-V323 HydrophobicContact CZ-CG2 3.92Å; F319-V323 WeakPolarHBondContact O-CG2 3.47Å; F319-V323 PolarHBondContact O-N 2.84Å; F319-L334 HydrophobicContact CD1-CD1 4.05Å; F319-L334 HydrophobicContact CD1-CD2 4.45Å; F319-L334 HydrophobicContact CE1-CD1 4.28Å; F319-L334 HydrophobicContact CE1-CD2 3.87Å; F319-L334 HydrophobicContact CE1-CG 4.45Å; F319-L388 HydrophobicContact CB-CD2 4.44Å; F319-L388 HydrophobicContact CD2-CD1 4.38Å; F319-L388 HydrophobicContact CD2-CD2 3.51Å; F319-L388 HydrophobicContact CE2-CD1 4.07Å; F319-L388 HydrophobicContact CE2-CD2 3.93Å; F319-L388 HydrophobicContact CG-CD2 4.08Å; F319-L388 HydrophobicContact CZ-CD1 4.27Å
320	H	97.3	Very high	94.7	Very high	23 Å²	23	35.8 Å²	35.8	11%	0.106	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-46.9	175.7	-177	79.4	0	0	0	112.3	V262 L316 H317 A322 V323 Q324 L334 Y359	V262-H320 WeakPolarHBondContact CG1-NE2 3.48Å; V262-H320 PolarHBondContact O-NE2 3.28Å; L316-H320 VanDerWaalsContact O-CB 3.28Å; L316-H320 WeakPolarHBondContact O-CB 3.5Å; L316-H320 PolarHBondContact O-N 3.24Å; H317-H320 PolarHBondContact O-N 2.99Å; H320-A322 PolarHBondContact O-N 2.88Å; H320-V323 PolarHBondContact O-N 2.93Å; H320-Q324 PolarHBondContact NE2-NE2 2.92Å; H320-Q324 WeakPolarHBondContact O-CG 3.39Å; H320-Q324 PolarHBondContact O-N 3.42Å; H320-L334 HydrophobicContact CB-CD1 3.99Å; H320-Y359 HydrophobicContact CB-CD1 3.88Å; H320-Y359 HydrophobicContact CB-CE1 3.92Å; H320-Y359 AromaticContact CG-CD1 3.65Å; H320-Y359 AromaticContact CG-CE1 3.96Å; H320-Y359 AromaticContact ND1-CD1 3.8Å
321	A	97.5	Very high	93.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-44.8	176.2	0	0	0	0	0	112.2	A265 V269 H317 L318 F319 Q324 R325	A265-A321 HydrophobicContact CB-CB 4.09Å; V269-A321 HydrophobicContact CB-CB 3.79Å; V269-A321 HydrophobicContact CG1-CB 4.01Å; V269-A321 HydrophobicContact CG2-CB 3.83Å; H317-A321 WeakPolarHBondContact O-CB 3.47Å; H317-A321 PolarHBondContact O-N 2.76Å; L318-A321 PolarHBondContact O-N 3.1Å; F319-A321 PolarHBondContact O-N 2.97Å; A321-Q324 PolarHBondContact O-N 2.87Å; A321-R325 WeakPolarHBondContact O-CB 3.4Å; A321-R325 PolarHBondContact O-N 2.92Å
322	A	97.8	Very high	92.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-40.6	178.1	0	0	0	0	0	112.4	L287 I290 L294 L318 F319 H320 R325 K326	L287-A322 HydrophobicContact CD2-CB 4.18Å; I290-A322 HydrophobicContact CG2-CB 3.54Å; L294-A322 HydrophobicContact CD1-CB 3.99Å; L318-A322 PolarHBondContact O-N 2.95Å; F319-A322 PolarHBondContact O-N 2.78Å; H320-A322 PolarHBondContact O-N 2.88Å; A322-R325 PolarHBondContact O-N 3.44Å; A322-K326 WeakPolarHBondContact O-CB 3.47Å; A322-K326 WeakPolarHBondContact O-CG 3.38Å; A322-K326 PolarHBondContact O-N 2.93Å
323	V	96.3	Very high	91.8	Very high	13 Å²	13	45.9 Å²	45.9	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-47	175.8	174.6	0	0	0	0	110.9	L294 L299 F319 H320 R325 K326 L327 L334	L294-V323 HydrophobicContact CD1-CG2 4.15Å; L294-V323 HydrophobicContact CD2-CG2 3.95Å; L299-V323 HydrophobicContact CD1-CG1 3.89Å; L299-V323 HydrophobicContact CD2-CG1 4.27Å; L299-V323 HydrophobicContact CD2-CG2 3.74Å; F319-V323 HydrophobicContact CD2-CG2 4.35Å; F319-V323 HydrophobicContact CE1-CG2 4.2Å; F319-V323 HydrophobicContact CE2-CG2 4.01Å; F319-V323 HydrophobicContact CZ-CG2 3.92Å; F319-V323 WeakPolarHBondContact O-CG2 3.47Å; F319-V323 PolarHBondContact O-N 2.84Å; H320-V323 PolarHBondContact O-N 2.93Å; V323-R325 PolarHBondContact O-N 3.43Å; V323-K326 PolarHBondContact O-N 2.97Å; V323-L327 HydrophobicContact CG1-CB 4.24Å; V323-L327 CarbonylContact O-C 3.58Å; V323-L327 WeakPolarHBondContact O-CA 3.46Å; V323-L327 WeakPolarHBondContact O-CB 3.48Å; V323-L327 PolarHBondContact O-N 3.35Å; V323-L334 HydrophobicContact CB-CD2 4.21Å; V323-L334 HydrophobicContact CG1-CD2 3.98Å; V323-L334 HydrophobicContact CG2-CD2 3.92Å
324	Q	94.1	Very high	91.6	Very high	60 Å²	60	46.3 Å²	46.3	28%	0.28	25%	0.245	S	C	.	.	H	α-helix	trans	-56.1	-39.1	174.7	-77.1	-177.1	-25	0	0	112.1	V262 S266 H320 A321	V262-Q324 PolarHBondContact O-NE2 3.05Å; S266-Q324 VanDerWaalsContact N-OE1 3.16Å; H320-Q324 PolarHBondContact NE2-NE2 2.92Å; H320-Q324 WeakPolarHBondContact O-CG 3.39Å; H320-Q324 PolarHBondContact O-N 3.42Å; A321-Q324 PolarHBondContact O-N 2.87Å
325	R	94.8	Very high	91.4	Very high	149 Å²	149	46.9 Å²	46.9	56%	0.562	25%	0.247	S	C	*	.	H	α-helix	trans	-73.6	-43.2	-178.8	-171.6	69.1	170	122.3	-3.9	113.1	Y270 A321 A322 V323	Y270-R325 HydrophobicContact CD2-CB 4.37Å; Y270-R325 HydrophobicContact CD2-CG 4.29Å; Y270-R325 HydrophobicContact CE1-CG 4.2Å; Y270-R325 HydrophobicContact CE2-CB 3.56Å; Y270-R325 HydrophobicContact CE2-CG 3.71Å; A321-R325 WeakPolarHBondContact O-CB 3.4Å; A321-R325 PolarHBondContact O-N 2.92Å; A322-R325 PolarHBondContact O-N 3.44Å; V323-R325 PolarHBondContact O-N 3.43Å
326	K	94.4	Very high	91.4	Very high	105 Å²	105	46.9 Å²	46.9	46%	0.457	25%	0.247	S	C	.	.	H	α-helix	trans	-94.1	-25.8	-171.6	-61.9	-62.2	-174.7	172.4	0	113.6	E291 A322 V323	E291-K326 VanDerWaalsContact CD-NZ 3.27Å; E291-K326 HydrophobicContact CG-CG 4.42Å; E291-K326 WeakPolarHBondContact OE1-CE 3.4Å; E291-K326 IonicContact OE1-NZ 3.35Å; E291-K326 PolarHBondContact OE1-NZ 3.34Å; E291-K326 WeakPolarHBondContact OE2-CE 3.42Å; E291-K326 IonicContact OE2-NZ 2.78Å; E291-K326 PolarHBondContact OE2-NZ 2.81Å; A322-K326 WeakPolarHBondContact O-CB 3.47Å; A322-K326 WeakPolarHBondContact O-CG 3.38Å; A322-K326 PolarHBondContact O-N 2.93Å; V323-K326 PolarHBondContact O-N 2.97Å
327	L	91.9	Very high	91.2	Very high	61 Å²	61	47.3 Å²	47.3	32%	0.319	25%	0.25	S	C	.	.			trans	-135	56.3	-173	-59.3	175.6	0	0	0	111.1	L294 L299 V323 D329 V330	L294-L327 HydrophobicContact CD2-CD1 4.39Å; L299-L327 HydrophobicContact CD1-CD1 4Å; L299-L327 HydrophobicContact CD2-CD1 4Å; L299-L327 HydrophobicContact CG-CD1 3.87Å; V323-L327 HydrophobicContact CG1-CB 4.24Å; V323-L327 CarbonylContact O-C 3.58Å; V323-L327 WeakPolarHBondContact O-CA 3.46Å; V323-L327 WeakPolarHBondContact O-CB 3.48Å; V323-L327 PolarHBondContact O-N 3.35Å; L327-D329 VanDerWaalsContact C-N 3.25Å; L327-D329 PolarHBondContact O-N 3.36Å; L327-V330 HydrophobicContact CB-CB 4.31Å; L327-V330 HydrophobicContact CB-CG2 3.82Å; L327-V330 HydrophobicContact CD2-CG2 4.41Å; L327-V330 PolarHBondContact O-N 3.24Å
328	P	85.1	Confident	91	Very high	92 Å²	92	47.7 Å²	47.7	60%	0.597	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.9	-172.3	26.7	-35.9	0	0	0	114.1
329	D	83.7	Confident	90.6	Very high	153 Å²	153	49.9 Å²	49.9	82%	0.818	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	4.3	-175	-58.9	-53	0	0	0	113.6	L327 P331	L327-D329 VanDerWaalsContact C-N 3.25Å; L327-D329 PolarHBondContact O-N 3.36Å; D329-P331 VanDerWaalsContact O-CD 3.29Å; D329-P331 WeakPolarHBondContact O-CD 3.49Å
330	V	76.1	Confident	90	Very high	58 Å²	58	55.6 Å²	55.6	35%	0.352	28%	0.284	S	S	.	.			trans	-87.9	113.3	-176.7	-178.8	0	0	0	0	109.9	L299 L327 N332	L299-V330 HydrophobicContact CD1-CB 4.36Å; L299-V330 HydrophobicContact CD1-CG1 3.78Å; L327-V330 HydrophobicContact CB-CB 4.31Å; L327-V330 HydrophobicContact CB-CG2 3.82Å; L327-V330 HydrophobicContact CD2-CG2 4.41Å; L327-V330 PolarHBondContact O-N 3.24Å; V330-N332 HydrophobicContact CG1-CB 4.04Å; V330-N332 PolarHBondContact O-N 3.45Å
331	P	67.4	Low	89.2	Confident	115 Å²	115	56.8 Å²	56.8	75%	0.747	30%	0.295	S	S	*	.			trans	-80.9	3.8	-173.9	34.3	-36.9	0	0	0	113.5	D329	D329-P331 VanDerWaalsContact O-CD 3.29Å; D329-P331 WeakPolarHBondContact O-CD 3.49Å
332	N	74.4	Confident	88.4	Confident	82 Å²	82	63.1 Å²	63.1	44%	0.439	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-78.5	131.5	-171.7	-69.6	-6.6	0	0	0	111.1	V330	V330-N332 HydrophobicContact CG1-CB 4.04Å; V330-N332 PolarHBondContact O-N 3.45Å
333	P	87.3	Confident	87.9	Confident	48 Å²	48	65.3 Å²	65.3	31%	0.312	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-61.8	143.8	172.5	27.9	-34.4	0	0	0	110.1	N360 Q362	P333-N360 WeakPolarHBondContact CA-O 3.48Å; P333-N360 WeakPolarHBondContact CB-O 3.41Å; P333-Q362 HydrophobicContact CB-CB 4.27Å; P333-Q362 HydrophobicContact CG-CB 4.09Å
334	L	93.9	Very high	87.6	Confident	10 Å²	10	66 Å²	66	5%	0.052	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137.3	176	-58.7	179.2	0	0	0	109.7	L299 F319 H320 V323 L361 Q362	L299-L334 HydrophobicContact CD1-CD2 4.45Å; L299-L334 HydrophobicContact CD2-CD2 4.42Å; F319-L334 HydrophobicContact CD1-CD1 4.05Å; F319-L334 HydrophobicContact CD1-CD2 4.45Å; F319-L334 HydrophobicContact CE1-CD1 4.28Å; F319-L334 HydrophobicContact CE1-CD2 3.87Å; F319-L334 HydrophobicContact CE1-CG 4.45Å; H320-L334 HydrophobicContact CB-CD1 3.99Å; V323-L334 HydrophobicContact CB-CD2 4.21Å; V323-L334 HydrophobicContact CG1-CD2 3.98Å; V323-L334 HydrophobicContact CG2-CD2 3.92Å; L334-L361 HydrophobicContact CB-CD2 3.76Å; L334-L361 CarbonylContact O-C 3.55Å; L334-L361 WeakPolarHBondContact O-CA 3.48Å; L334-Q362 PolarHBondContact O-N 2.87Å
335	Q	95.9	Very high	87.5	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.056	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.8	179.7	-60.5	179.8	99.9	0	0	110.6	L299 T300 L302 C303 V304 Q362 L364	L299-Q335 PolarHBondContact O-NE2 3.06Å; T300-Q335 PolarHBondContact O-NE2 3.39Å; T300-Q335 VanDerWaalsContact O-NE2 3.11Å; L302-Q335 PolarHBondContact O-NE2 3.15Å; C303-Q335 CarbonylContact C-O 3.55Å; C303-Q335 VanDerWaalsContact CA-O 3.27Å; C303-Q335 WeakPolarHBondContact CA-O 3.4Å; C303-Q335 HydrophobicContact CB-CB 3.82Å; V304-Q335 PolarHBondContact N-O 2.8Å; Q335-Q362 CarbonylContact C-O 3.57Å; Q335-Q362 WeakPolarHBondContact CA-O 3.34Å; Q335-Q362 HydrophobicContact CG-CB 4.41Å; Q335-L364 HydrophobicContact CB-CD1 4.25Å
336	I	96.9	Very high	87.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.1	168.8	63.9	170	0	0	0	110.8	V304 F306 L316 L352 I356 L361 Q362 M363 L364	V304-I336 HydrophobicContact CB-CG2 4.37Å; V304-I336 CarbonylContact O-C 3.38Å; V304-I336 VanDerWaalsContact O-CA 3.24Å; V304-I336 WeakPolarHBondContact O-CA 3.29Å; F306-I336 HydrophobicContact CB-CB 4Å; F306-I336 HydrophobicContact CB-CD1 4.35Å; F306-I336 HydrophobicContact CB-CG2 4.15Å; F306-I336 HydrophobicContact CD1-CD1 4.04Å; F306-I336 HydrophobicContact CG-CD1 4.5Å; L316-I336 HydrophobicContact CD1-CG2 4.21Å; I336-L352 HydrophobicContact CD1-CD1 4.13Å; I336-I356 HydrophobicContact CD1-CD1 4.31Å; I336-I356 HydrophobicContact CD1-CG1 3.89Å; I336-L361 HydrophobicContact CD1-CD1 4.04Å; I336-L361 HydrophobicContact CG2-CB 4.49Å; I336-L361 HydrophobicContact CG2-CD1 3.82Å; I336-L361 HydrophobicContact CG2-CD2 4.36Å; I336-L361 HydrophobicContact CG2-CG 4.45Å; I336-Q362 PolarHBondContact N-O 2.94Å; I336-M363 HydrophobicContact CD1-CB 4.4Å; I336-M363 HydrophobicContact CD1-CG 4.28Å; I336-M363 HydrophobicContact CG1-CB 4.18Å; I336-M363 HydrophobicContact CG1-CG 4.22Å; I336-L364 WeakPolarHBondContact O-CB 3.26Å; I336-L364 PolarHBondContact O-N 3.17Å
337	L	95.4	Very high	87.4	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.047	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.8	168.6	173	63.2	0	0	0	108.8	V304 F306 I339 A366 L374 L377	V304-L337 PolarHBondContact O-N 2.69Å; F306-L337 PolarHBondContact N-O 3.32Å; L337-I339 HydrophobicContact CD1-CG1 4.33Å; L337-I339 HydrophobicContact CD2-CD1 4.43Å; L337-I339 HydrophobicContact CD2-CG1 4.48Å; L337-I339 HydrophobicContact CG-CG1 4.21Å; L337-A366 HydrophobicContact CD1-CB 4.39Å; L337-L374 HydrophobicContact CD2-CD2 3.98Å; L337-L377 HydrophobicContact CD1-CD1 3.99Å; L337-L377 HydrophobicContact CD1-CD2 3.93Å; L337-L377 HydrophobicContact CD1-CG 4.48Å; L337-L377 HydrophobicContact CD2-CD2 3.81Å; L337-L377 HydrophobicContact CG-CD2 4.38Å
338	Y	94.1	Very high	87.5	Confident	9 Å²	9	56.3 Å²	56.3	4%	0.035	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.3	172.5	177.7	-128.7	0	0	0	109.6	F306 R340 E349 L352 M363 L364 E365 A366	F306-Y338 WeakPolarHBondContact O-CD2 3.46Å; Y338-R340 HydrophobicContact CE1-CB 4.35Å; Y338-R340 HydrophobicContact CE1-CG 4.34Å; Y338-E349 PolarHBondContact OH-OE2 2.83Å; Y338-L352 HydrophobicContact CD1-CD2 3.69Å; Y338-L352 HydrophobicContact CD2-CD2 3.92Å; Y338-L352 HydrophobicContact CE1-CD2 3.51Å; Y338-L352 HydrophobicContact CE2-CD2 3.8Å; Y338-L352 HydrophobicContact CG-CD2 3.87Å; Y338-M363 HydrophobicContact CD1-SD 3.95Å; Y338-M363 HydrophobicContact CG-SD 4.37Å; Y338-L364 PolarHBondContact N-O 2.82Å; Y338-E365 HydrophobicContact CD1-CG 4.48Å; Y338-E365 WeakPolarHBondContact O-CA 3.18Å; Y338-A366 PolarHBondContact O-N 2.82Å
339	I	90.9	Very high	87.8	Confident	46 Å²	46	54.3 Å²	54.3	24%	0.236	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.5	172.3	-56.2	176.6	0	0	0	107.3	L337 S341 A366 M370 A373	L337-I339 HydrophobicContact CD1-CG1 4.33Å; L337-I339 HydrophobicContact CD2-CD1 4.43Å; L337-I339 HydrophobicContact CD2-CG1 4.48Å; L337-I339 HydrophobicContact CG-CG1 4.21Å; I339-S341 PolarHBondContact O-N 3.09Å; I339-A366 WeakPolarHBondContact CA-O 3.5Å; I339-M370 HydrophobicContact CD1-CG 4.12Å; I339-A373 HydrophobicContact CD1-CB 3.78Å; I339-A373 HydrophobicContact CG1-CB 3.95Å; I339-A373 HydrophobicContact CG2-CB 4.09Å
340	R	84.8	Confident	88.4	Confident	122 Å²	122	52 Å²	52	46%	0.46	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-66.5	127.5	-172.4	-167	175.6	-173.6	175.8	6.7	111.1	Y338 A366 E367	Y338-R340 HydrophobicContact CE1-CB 4.35Å; Y338-R340 HydrophobicContact CE1-CG 4.34Å; R340-A366 PolarHBondContact N-O 3.04Å; R340-E367 HydrophobicContact CB-CG 4.3Å; R340-E367 IonicContact NH1-OE1 3.48Å
341	S	80.9	Confident	89.3	Confident	49 Å²	49	50 Å²	50	34%	0.343	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-81.4	154.2	175.3	-166	0	0	0	0	111.6	I339 S343 P344	I339-S341 PolarHBondContact O-N 3.09Å; S341-S343 PolarHBondContact O-N 3.48Å; S341-P344 WeakPolarHBondContact O-CD 3.08Å
342	I	80.7	Confident	90.6	Very high	132 Å²	132	44.6 Å²	44.6	68%	0.677	23%	0.234	S	C	*	.	S	Bend	trans	-69.8	122.1	169.3	-60	167.8	0	0	0	107.7	S452	I342-S452 WeakPolarHBondContact O-CB 3.37Å
343	S	87.8	Confident	91.5	Very high	47 Å²	47	43.9 Å²	43.9	33%	0.329	23%	0.228	S	C	.	.	S	Bend	trans	52.4	67.4	179.7	-179.1	0	0	0	0	113.9	S341 R453	S341-S343 PolarHBondContact O-N 3.48Å; S343-R453 WeakPolarHBondContact O-CB 3.37Å; S343-R453 WeakPolarHBondContact O-CG 3.38Å; S343-R453 PolarHBondContact O-N 2.91Å
344	P	88.6	Confident	91.9	Very high	28 Å²	28	44.3 Å²	44.3	18%	0.182	23%	0.228	C	C	.	.			trans	-67.9	159.4	176.5	31.4	-34.6	0	0	0	111.5	S341 R453	S341-P344 WeakPolarHBondContact O-CD 3.08Å; P344-R453 WeakPolarHBondContact O-CD 3.44Å
345	F	92.7	Very high	91.9	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.066	23%	0.225	C	C	.	.			trans	-68.9	133.4	170.6	-72.5	-94.9	0	0	0	110.4	E347 L348 E349 L442 Y447 R453 T456	F345-E347 PolarHBondContact O-N 3.07Å; F345-L348 HydrophobicContact CB-CB 3.91Å; F345-L348 WeakPolarHBondContact O-CB 3.41Å; F345-L348 PolarHBondContact O-N 2.62Å; F345-E349 PolarHBondContact O-N 3.09Å; F345-L442 HydrophobicContact CB-CD1 3.58Å; F345-L442 HydrophobicContact CD1-CD1 3.69Å; F345-L442 HydrophobicContact CD1-CD2 4.29Å; F345-L442 HydrophobicContact CD2-CD1 4.05Å; F345-L442 HydrophobicContact CE1-CD1 4.38Å; F345-L442 HydrophobicContact CG-CD1 3.5Å; F345-Y447 HydrophobicContact CE1-CE1 4.27Å; F345-Y447 HydrophobicContact CZ-CE1 4.08Å; F345-R453 HydrophobicContact CB-CG 4.37Å; F345-R453 HydrophobicContact CD1-CG 3.74Å; F345-R453 HydrophobicContact CD2-CG 3.8Å; F345-R453 HydrophobicContact CE1-CG 3.89Å; F345-R453 HydrophobicContact CE2-CB 4.43Å; F345-R453 HydrophobicContact CE2-CG 3.94Å; F345-R453 HydrophobicContact CG-CG 3.69Å; F345-R453 HydrophobicContact CZ-CB 4.35Å; F345-R453 HydrophobicContact CZ-CG 3.98Å; F345-T456 HydrophobicContact CE2-CG2 3.98Å; F345-T456 HydrophobicContact CZ-CG2 4.03Å
346	P	93.6	Very high	91.9	Very high	80 Å²	80	44.5 Å²	44.5	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-55.9	-38.2	174.2	-25.8	34.7	0	0	0	112.8	L348 E349 Q350	P346-L348 VanDerWaalsContact C-N 3.31Å; P346-L348 PolarHBondContact O-N 3.07Å; P346-E349 PolarHBondContact O-N 2.83Å; P346-Q350 WeakPolarHBondContact O-CB 3.34Å; P346-Q350 PolarHBondContact O-N 2.99Å
347	E	94.2	Very high	91.8	Very high	61 Å²	61	52 Å²	52	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-67.2	-31.5	177.5	-62.4	93.7	150.5	0	0	113.1	F345 F351 I441 L442 R445	F345-E347 PolarHBondContact O-N 3.07Å; E347-F351 VanDerWaalsContact O-CB 3.32Å; E347-F351 WeakPolarHBondContact O-CB 3.3Å; E347-F351 PolarHBondContact O-N 3.16Å; E347-I441 HydrophobicContact CB-CG2 4.01Å; E347-I441 HydrophobicContact CG-CG2 4.11Å; E347-L442 HydrophobicContact CB-CD1 4.36Å; E347-L442 HydrophobicContact CB-CD2 4.13Å; E347-L442 HydrophobicContact CB-CG 4Å; E347-L442 HydrophobicContact CG-CD2 4.25Å; E347-R445 IonicContact OE1-CZ 3.93Å; E347-R445 IonicContact OE1-NH1 3.78Å; E347-R445 PolarHBondContact OE1-NH1 3.02Å
348	L	92.8	Very high	91.7	Very high	14 Å²	14	56.2 Å²	56.2	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-73.4	-40.5	175.6	-175.9	62	0	0	0	110.8	G308 F345 P346 F351 L352 C440 L450	G308-L348 WeakPolarHBondContact O-CD1 3.49Å; F345-L348 HydrophobicContact CB-CB 3.91Å; F345-L348 WeakPolarHBondContact O-CB 3.41Å; F345-L348 PolarHBondContact O-N 2.62Å; P346-L348 VanDerWaalsContact C-N 3.31Å; P346-L348 PolarHBondContact O-N 3.07Å; L348-F351 PolarHBondContact O-N 3.13Å; L348-L352 WeakPolarHBondContact O-CB 3.36Å; L348-L352 PolarHBondContact O-N 2.85Å; L348-C440 HydrophobicContact CD1-CB 4.12Å; L348-L450 HydrophobicContact CD1-CD1 3.99Å
349	E	92.8	Very high	91.7	Very high	50 Å²	50	56.3 Å²	56.3	23%	0.234	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-43.6	175.6	-169.8	58.6	-134.2	0	0	111.1	Y338 F345 P346 F351 L352 Q353	Y338-E349 PolarHBondContact OH-OE2 2.83Å; F345-E349 PolarHBondContact O-N 3.09Å; P346-E349 PolarHBondContact O-N 2.83Å; E349-F351 VanDerWaalsContact C-N 3.33Å; E349-F351 PolarHBondContact O-N 2.66Å; E349-L352 WeakPolarHBondContact O-CB 3.48Å; E349-L352 PolarHBondContact O-N 3.42Å; E349-Q353 WeakPolarHBondContact O-CG 3.12Å; E349-Q353 PolarHBondContact O-N 3.33Å; E349-Q353 PolarHBondContact OE1-NE2 3.04Å
350	Q	94.4	Very high	91.8	Very high	106 Å²	106	59.4 Å²	59.4	50%	0.495	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-46	173.5	-174.3	60.6	54.1	0	0	111.2	P346 L352 Q353 D354	P346-Q350 WeakPolarHBondContact O-CB 3.34Å; P346-Q350 PolarHBondContact O-N 2.99Å; Q350-L352 VanDerWaalsContact C-N 3.3Å; Q350-L352 PolarHBondContact O-N 2.83Å; Q350-Q353 PolarHBondContact O-N 3.44Å; Q350-D354 PolarHBondContact NE2-OD1 3.36Å; Q350-D354 PolarHBondContact NE2-OD2 2.96Å; Q350-D354 VanDerWaalsContact O-CG 3.24Å; Q350-D354 PolarHBondContact O-N 3.37Å
351	F	95.2	Very high	92.3	Very high	15 Å²	15	54.3 Å²	54.3	7%	0.066	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-38.9	176.5	175	-106.2	0	0	0	112.6	F306 G308 T313 E347 L348 E349 T355 P438 Y439 C440	F306-F351 HydrophobicContact CZ-CE1 4.09Å; G308-F351 WeakPolarHBondContact O-CE1 3.44Å; T313-F351 HydrophobicContact CG2-CZ 4.1Å; E347-F351 VanDerWaalsContact O-CB 3.32Å; E347-F351 WeakPolarHBondContact O-CB 3.3Å; E347-F351 PolarHBondContact O-N 3.16Å; L348-F351 PolarHBondContact O-N 3.13Å; E349-F351 VanDerWaalsContact C-N 3.33Å; E349-F351 PolarHBondContact O-N 2.66Å; F351-T355 WeakPolarHBondContact CZ-OG1 3.45Å; F351-T355 VanDerWaalsContact O-CB 3.27Å; F351-T355 WeakPolarHBondContact O-CB 3.37Å; F351-T355 PolarHBondContact O-N 3.34Å; F351-T355 PolarHBondContact O-OG1 3.2Å; F351-P438 WeakPolarHBondContact CE2-O 3.32Å; F351-P438 WeakPolarHBondContact CZ-O 3.15Å; F351-Y439 VanDerWaalsContact CE2-C 3.43Å; F351-Y439 VanDerWaalsContact CE2-CA 3.44Å; F351-C440 HydrophobicContact CB-CB 4.23Å; F351-C440 HydrophobicContact CD1-CB 3.89Å; F351-C440 HydrophobicContact CE1-CB 4.44Å; F351-C440 HydrophobicContact CG-CB 3.95Å
352	L	94.6	Very high	93	Very high	2 Å²	2	56 Å²	56	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-50.7	174.8	175.9	64	0	0	0	110.9	F306 I336 Y338 L348 E349 Q350 D354 T355 I356 M363	F306-L352 HydrophobicContact CD1-CD1 3.43Å; F306-L352 VanDerWaalsContact CD1-CD1 3.43Å; F306-L352 HydrophobicContact CE1-CD1 3.47Å; F306-L352 VanDerWaalsContact CE1-CD1 3.47Å; I336-L352 HydrophobicContact CD1-CD1 4.13Å; Y338-L352 HydrophobicContact CD1-CD2 3.69Å; Y338-L352 HydrophobicContact CD2-CD2 3.92Å; Y338-L352 HydrophobicContact CE1-CD2 3.51Å; Y338-L352 HydrophobicContact CE2-CD2 3.8Å; Y338-L352 HydrophobicContact CG-CD2 3.87Å; L348-L352 WeakPolarHBondContact O-CB 3.36Å; L348-L352 PolarHBondContact O-N 2.85Å; E349-L352 WeakPolarHBondContact O-CB 3.48Å; E349-L352 PolarHBondContact O-N 3.42Å; Q350-L352 VanDerWaalsContact C-N 3.3Å; Q350-L352 PolarHBondContact O-N 2.83Å; L352-D354 VanDerWaalsContact C-N 3.34Å; L352-D354 PolarHBondContact O-N 3.16Å; L352-T355 PolarHBondContact O-N 3.29Å; L352-T355 VanDerWaalsContact O-N 3.15Å; L352-I356 HydrophobicContact CD1-CD1 4.1Å; L352-I356 HydrophobicContact CD1-CG1 4.38Å; L352-I356 HydrophobicContact CG-CD1 3.97Å; L352-I356 WeakPolarHBondContact O-CG1 3.03Å; L352-I356 PolarHBondContact O-N 3.05Å; L352-M363 HydrophobicContact CD2-SD 4.31Å
353	Q	94.6	Very high	93.7	Very high	67 Å²	67	52.6 Å²	52.6	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-41.6	179.3	-63.4	-54.6	-39.2	0	0	112.3	E349 Q350 T355 I356 K357	E349-Q353 WeakPolarHBondContact O-CG 3.12Å; E349-Q353 PolarHBondContact O-N 3.33Å; E349-Q353 PolarHBondContact OE1-NE2 3.04Å; Q350-Q353 PolarHBondContact O-N 3.44Å; Q353-T355 VanDerWaalsContact C-N 3.32Å; Q353-T355 PolarHBondContact O-N 3.04Å; Q353-I356 PolarHBondContact O-N 3.39Å; Q353-K357 WeakPolarHBondContact O-CG 3.41Å; Q353-K357 PolarHBondContact O-N 3.07Å
354	D	94.4	Very high	94	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-37.1	176.7	-65.6	-21	0	0	0	111.4	Q350 L352 K357 R358	Q350-D354 PolarHBondContact NE2-OD1 3.36Å; Q350-D354 PolarHBondContact NE2-OD2 2.96Å; Q350-D354 VanDerWaalsContact O-CG 3.24Å; Q350-D354 PolarHBondContact O-N 3.37Å; L352-D354 VanDerWaalsContact C-N 3.34Å; L352-D354 PolarHBondContact O-N 3.16Å; D354-K357 PolarHBondContact O-N 3.29Å; D354-R358 WeakPolarHBondContact O-CB 3.36Å; D354-R358 PolarHBondContact O-N 3.42Å
355	T	95.6	Very high	94.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-69	-40.7	177.3	-59.8	0	0	0	0	111.9	F306 L316 F351 L352 Q353 K357 R358 Y359 L361	F306-T355 HydrophobicContact CE1-CG2 4.09Å; F306-T355 HydrophobicContact CE2-CG2 4.47Å; F306-T355 HydrophobicContact CZ-CG2 3.74Å; L316-T355 HydrophobicContact CD2-CG2 3.66Å; F351-T355 WeakPolarHBondContact CZ-OG1 3.45Å; F351-T355 VanDerWaalsContact O-CB 3.27Å; F351-T355 WeakPolarHBondContact O-CB 3.37Å; F351-T355 PolarHBondContact O-N 3.34Å; F351-T355 PolarHBondContact O-OG1 3.2Å; L352-T355 PolarHBondContact O-N 3.29Å; L352-T355 VanDerWaalsContact O-N 3.15Å; Q353-T355 VanDerWaalsContact C-N 3.32Å; Q353-T355 PolarHBondContact O-N 3.04Å; T355-K357 VanDerWaalsContact C-N 3.32Å; T355-K357 PolarHBondContact O-N 3.02Å; T355-R358 PolarHBondContact O-N 2.86Å; T355-R358 PolarHBondContact OG1-NH1 3.39Å; T355-Y359 HydrophobicContact CG2-CD2 3.75Å; T355-Y359 HydrophobicContact CG2-CE2 3.99Å; T355-Y359 PolarHBondContact O-N 3.41Å; T355-L361 HydrophobicContact CG2-CD1 4.25Å
356	I	95.3	Very high	94	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-47.2	174.3	-71.4	164.3	0	0	0	110.7	I336 L352 Q353 N360 L361 M363	I336-I356 HydrophobicContact CD1-CD1 4.31Å; I336-I356 HydrophobicContact CD1-CG1 3.89Å; L352-I356 HydrophobicContact CD1-CD1 4.1Å; L352-I356 HydrophobicContact CD1-CG1 4.38Å; L352-I356 HydrophobicContact CG-CD1 3.97Å; L352-I356 WeakPolarHBondContact O-CG1 3.03Å; L352-I356 PolarHBondContact O-N 3.05Å; Q353-I356 PolarHBondContact O-N 3.39Å; I356-N360 WeakPolarHBondContact O-CA 3.41Å; I356-N360 PolarHBondContact O-N 2.98Å; I356-N360 VanDerWaalsContact O-N 3.1Å; I356-L361 HydrophobicContact CB-CB 4.48Å; I356-L361 HydrophobicContact CG1-CB 4.43Å; I356-L361 HydrophobicContact CG1-CD1 4.45Å; I356-L361 HydrophobicContact CG2-CB 4.35Å; I356-L361 PolarHBondContact O-N 3.36Å; I356-M363 HydrophobicContact CD1-CB 4.14Å; I356-M363 HydrophobicContact CD1-CG 4.35Å; I356-M363 HydrophobicContact CD1-SD 3.62Å
357	K	93.8	Very high	93.7	Very high	158 Å²	158	54 Å²	54	69%	0.687	25%	0.254	S	S	*	.	H	α-helix	trans	-65.4	-48.1	176.6	-67.7	174.7	-174.8	175.3	0	111.6	Q353 D354 T355 Y359 N360	Q353-K357 WeakPolarHBondContact O-CG 3.41Å; Q353-K357 PolarHBondContact O-N 3.07Å; D354-K357 PolarHBondContact O-N 3.29Å; T355-K357 VanDerWaalsContact C-N 3.32Å; T355-K357 PolarHBondContact O-N 3.02Å; K357-Y359 VanDerWaalsContact C-N 3.35Å; K357-Y359 PolarHBondContact O-N 3.4Å; K357-N360 PolarHBondContact O-N 3.47Å
358	R	93.5	Very high	93.4	Very high	98 Å²	98	53.7 Å²	53.7	37%	0.37	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-38.5	-174.1	-170.9	-174.5	-61.4	109	3.6	113.2	V262 D354 T355	V262-R358 HydrophobicContact CB-CG 4.34Å; V262-R358 HydrophobicContact CG2-CG 3.74Å; D354-R358 WeakPolarHBondContact O-CB 3.36Å; D354-R358 PolarHBondContact O-N 3.42Å; T355-R358 PolarHBondContact O-N 2.86Å; T355-R358 PolarHBondContact OG1-NH1 3.39Å
359	Y	94.3	Very high	93.2	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.039	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2.7	179.8	-73.3	-101.6	0	0	0	113.4	V262 L316 H317 H320 T355 K357	V262-Y359 HydrophobicContact CB-CE1 4.37Å; V262-Y359 HydrophobicContact CG1-CD1 3.59Å; V262-Y359 HydrophobicContact CG1-CD2 4.34Å; V262-Y359 HydrophobicContact CG1-CE1 3.75Å; V262-Y359 HydrophobicContact CG1-CE2 4.47Å; V262-Y359 HydrophobicContact CG1-CG 3.92Å; V262-Y359 HydrophobicContact CG2-CD1 4.27Å; V262-Y359 HydrophobicContact CG2-CD2 4Å; V262-Y359 HydrophobicContact CG2-CE1 3.8Å; V262-Y359 HydrophobicContact CG2-CE2 3.48Å; V262-Y359 VanDerWaalsContact CG2-CE2 3.48Å; V262-Y359 HydrophobicContact CG2-CG 4.37Å; L316-Y359 HydrophobicContact CD2-CD2 4.3Å; L316-Y359 HydrophobicContact CD2-CE2 4.41Å; L316-Y359 HydrophobicContact CD2-CG 4.36Å; L316-Y359 HydrophobicContact CG-CD1 4.38Å; L316-Y359 HydrophobicContact CG-CE1 4.36Å; H317-Y359 AromaticContact ND1-CE1 3.86Å; H317-Y359 AromaticContact ND1-CZ 3.81Å; H317-Y359 PolarHBondContact ND1-OH 3.4Å; H320-Y359 HydrophobicContact CB-CD1 3.88Å; H320-Y359 HydrophobicContact CB-CE1 3.92Å; H320-Y359 AromaticContact CG-CD1 3.65Å; H320-Y359 AromaticContact CG-CE1 3.96Å; H320-Y359 AromaticContact ND1-CD1 3.8Å; T355-Y359 HydrophobicContact CG2-CD2 3.75Å; T355-Y359 HydrophobicContact CG2-CE2 3.99Å; T355-Y359 PolarHBondContact O-N 3.41Å; K357-Y359 VanDerWaalsContact C-N 3.35Å; K357-Y359 PolarHBondContact O-N 3.4Å
360	N	93.4	Very high	92.9	Very high	112 Å²	112	58.4 Å²	58.4	60%	0.599	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	61.8	-173	-173.4	37	0	0	0	112.1	P333 I356 K357	P333-N360 WeakPolarHBondContact CA-O 3.48Å; P333-N360 WeakPolarHBondContact CB-O 3.41Å; I356-N360 WeakPolarHBondContact O-CA 3.41Å; I356-N360 PolarHBondContact O-N 2.98Å; I356-N360 VanDerWaalsContact O-N 3.1Å; K357-N360 PolarHBondContact O-N 3.47Å
361	L	95.4	Very high	92.7	Very high	14 Å²	14	58 Å²	58	7%	0.073	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	148.2	-173.2	-53.3	175.7	0	0	0	112.4	L316 L334 I336 T355 I356	L316-L361 HydrophobicContact CD1-CD1 4.39Å; L316-L361 HydrophobicContact CD1-CD2 4.14Å; L316-L361 HydrophobicContact CD2-CD1 3.82Å; L334-L361 HydrophobicContact CB-CD2 3.76Å; L334-L361 CarbonylContact O-C 3.55Å; L334-L361 WeakPolarHBondContact O-CA 3.48Å; I336-L361 HydrophobicContact CD1-CD1 4.04Å; I336-L361 HydrophobicContact CG2-CB 4.49Å; I336-L361 HydrophobicContact CG2-CD1 3.82Å; I336-L361 HydrophobicContact CG2-CD2 4.36Å; I336-L361 HydrophobicContact CG2-CG 4.45Å; T355-L361 HydrophobicContact CG2-CD1 4.25Å; I356-L361 HydrophobicContact CB-CB 4.48Å; I356-L361 HydrophobicContact CG1-CB 4.43Å; I356-L361 HydrophobicContact CG1-CD1 4.45Å; I356-L361 HydrophobicContact CG2-CB 4.35Å; I356-L361 PolarHBondContact O-N 3.36Å
362	Q	95.4	Very high	92.5	Very high	84 Å²	84	62.9 Å²	62.9	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.2	163.3	-178.7	179.7	3	0	0	109.2	P333 L334 Q335 I336 L364	P333-Q362 HydrophobicContact CB-CB 4.27Å; P333-Q362 HydrophobicContact CG-CB 4.09Å; L334-Q362 PolarHBondContact O-N 2.87Å; Q335-Q362 CarbonylContact C-O 3.57Å; Q335-Q362 WeakPolarHBondContact CA-O 3.34Å; Q335-Q362 HydrophobicContact CG-CB 4.41Å; I336-Q362 PolarHBondContact N-O 2.94Å; Q362-L364 HydrophobicContact CG-CD2 4.45Å
363	M	95	Very high	92.3	Very high	61 Å²	61	62.8 Å²	62.8	30%	0.3	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.9	178.5	-172.2	174.5	73.6	0	0	111.6	I336 Y338 L352 I356 E365	I336-M363 HydrophobicContact CD1-CB 4.4Å; I336-M363 HydrophobicContact CD1-CG 4.28Å; I336-M363 HydrophobicContact CG1-CB 4.18Å; I336-M363 HydrophobicContact CG1-CG 4.22Å; Y338-M363 HydrophobicContact CD1-SD 3.95Å; Y338-M363 HydrophobicContact CG-SD 4.37Å; L352-M363 HydrophobicContact CD2-SD 4.31Å; I356-M363 HydrophobicContact CD1-CB 4.14Å; I356-M363 HydrophobicContact CD1-CG 4.35Å; I356-M363 HydrophobicContact CD1-SD 3.62Å; M363-E365 HydrophobicContact CE-CB 4.39Å
364	L	94.4	Very high	92.1	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.2	170	-50.6	179.6	0	0	0	107.7	C303 Q335 I336 Y338 Q362 L377 L384	C303-L364 HydrophobicContact CB-CD1 4.29Å; Q335-L364 HydrophobicContact CB-CD1 4.25Å; I336-L364 WeakPolarHBondContact O-CB 3.26Å; I336-L364 PolarHBondContact O-N 3.17Å; Y338-L364 PolarHBondContact N-O 2.82Å; Q362-L364 HydrophobicContact CG-CD2 4.45Å; L364-L377 HydrophobicContact CB-CD1 4.03Å; L364-L377 HydrophobicContact CD1-CD1 3.95Å; L364-L384 HydrophobicContact CD1-CD1 3.49Å; L364-L384 VanDerWaalsContact CD1-CD1 3.49Å
365	E	91.9	Very high	92	Very high	83 Å²	83	59.1 Å²	59.1	39%	0.388	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.2	-176.4	-168.4	173.3	-173.6	0	0	111.5	Y338 M363	Y338-E365 HydrophobicContact CD1-CG 4.48Å; Y338-E365 WeakPolarHBondContact O-CA 3.18Å; M363-E365 HydrophobicContact CE-CB 4.39Å
366	A	90.3	Very high	91.7	Very high	5 Å²	5	62.6 Å²	62.6	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.2	173.9	0	0	0	0	0	111.1	L337 Y338 I339 R340 A373	L337-A366 HydrophobicContact CD1-CB 4.39Å; Y338-A366 PolarHBondContact O-N 2.82Å; I339-A366 WeakPolarHBondContact CA-O 3.5Å; R340-A366 PolarHBondContact N-O 3.04Å; A366-A373 HydrophobicContact CB-CB 3.64Å
367	E	87.4	Confident	91.4	Very high	108 Å²	108	61.8 Å²	61.8	51%	0.505	32%	0.316	S	S	.	.			trans	-123.4	166.8	-179.8	-62.7	-168.3	161.1	0	0	111.7	R340	R340-E367 HydrophobicContact CB-CG 4.3Å; R340-E367 IonicContact NH1-OE1 3.48Å
368	G	86.8	Confident	91.3	Very high	53 Å²	53	58 Å²	58	55%	0.546	30%	0.301	S	S	.	.	S	Bend	trans	84.5	-158.1	176.1	0	0	0	0	0	114.3
369	S	88	Confident	91.2	Very high	59 Å²	59	57.2 Å²	57.2	41%	0.413	32%	0.315	S	S	.	.	S	Bend	trans	-67.8	154.3	179.4	67.2	0	0	0	0	111.2	K371 Q372 A373	S369-K371 PolarHBondContact O-N 2.92Å; S369-K371 VanDerWaalsContact O-N 3.1Å; S369-Q372 WeakPolarHBondContact O-CB 3.27Å; S369-Q372 PolarHBondContact O-N 3.01Å; S369-Q372 VanDerWaalsContact OG-CD 3.25Å; S369-Q372 VanDerWaalsContact OG-CG 3.3Å; S369-Q372 WeakPolarHBondContact OG-CG 3.44Å; S369-Q372 PolarHBondContact OG-N 3.22Å; S369-Q372 PolarHBondContact OG-OE1 3.17Å; S369-A373 WeakPolarHBondContact O-CB 3.46Å; S369-A373 PolarHBondContact O-N 3.04Å
370	M	87.3	Confident	91.1	Very high	105 Å²	105	64.4 Å²	64.4	52%	0.517	34%	0.342	S	S	.	.	H	α-helix	trans	-54.7	-36.4	-179.6	-169.1	172.5	-77.5	0	0	112.8	I339 L374 W411	I339-M370 HydrophobicContact CD1-CG 4.12Å; M370-L374 HydrophobicContact CG-CD1 4.36Å; M370-L374 WeakPolarHBondContact O-CB 3.33Å; M370-L374 VanDerWaalsContact O-CG 3.28Å; M370-L374 WeakPolarHBondContact O-CG 3.25Å; M370-L374 PolarHBondContact O-N 2.99Å; M370-W411 HydrophobicContact CB-CH2 4.16Å; M370-W411 HydrophobicContact CB-CZ3 4.08Å; M370-W411 HydrophobicContact CG-CH2 4.38Å; M370-W411 HydrophobicContact CG-CZ3 3.98Å
371	K	90.3	Very high	91.1	Very high	98 Å²	98	61.1 Å²	61.1	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-67.7	-41.2	176.9	-173.2	175.5	179.8	171.3	0	112.6	S369 G375 G410 W411	S369-K371 PolarHBondContact O-N 2.92Å; S369-K371 VanDerWaalsContact O-N 3.1Å; K371-G375 PolarHBondContact O-N 3.05Å; K371-G375 VanDerWaalsContact O-N 3.17Å; K371-G410 WeakPolarHBondContact CE-O 3.37Å; K371-G410 PolarHBondContact NZ-O 3.3Å; K371-W411 VanDerWaalsContact CA-CZ3 3.47Å; K371-W411 HydrophobicContact CB-CD2 4.19Å; K371-W411 HydrophobicContact CB-CE3 3.83Å; K371-W411 HydrophobicContact CB-CH2 3.87Å; K371-W411 HydrophobicContact CB-CZ2 4.21Å; K371-W411 HydrophobicContact CB-CZ3 3.67Å; K371-W411 HydrophobicContact CD-CD2 4.29Å; K371-W411 HydrophobicContact CG-CD2 4.03Å; K371-W411 HydrophobicContact CG-CE3 4Å; K371-W411 HydrophobicContact CG-CZ3 4.36Å
372	Q	90.4	Very high	91	Very high	117 Å²	117	65.2 Å²	65.2	55%	0.547	35%	0.351	S	S	.	.	H	α-helix	trans	-66.8	-48.1	176.2	-73	164.6	-43	0	0	110.6	S369 L374 G375 E376	S369-Q372 WeakPolarHBondContact O-CB 3.27Å; S369-Q372 PolarHBondContact O-N 3.01Å; S369-Q372 VanDerWaalsContact OG-CD 3.25Å; S369-Q372 VanDerWaalsContact OG-CG 3.3Å; S369-Q372 WeakPolarHBondContact OG-CG 3.44Å; S369-Q372 PolarHBondContact OG-N 3.22Å; S369-Q372 PolarHBondContact OG-OE1 3.17Å; Q372-L374 VanDerWaalsContact C-N 3.33Å; Q372-L374 PolarHBondContact O-N 3.11Å; Q372-G375 WeakPolarHBondContact O-CA 3.44Å; Q372-G375 PolarHBondContact O-N 2.99Å; Q372-E376 PolarHBondContact O-N 3.11Å
373	A	90	Very high	90.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-56.2	-44.9	178.2	0	0	0	0	0	112.3	I339 A366 S369 G375 E376 L377	I339-A373 HydrophobicContact CD1-CB 3.78Å; I339-A373 HydrophobicContact CG1-CB 3.95Å; I339-A373 HydrophobicContact CG2-CB 4.09Å; A366-A373 HydrophobicContact CB-CB 3.64Å; S369-A373 WeakPolarHBondContact O-CB 3.46Å; S369-A373 PolarHBondContact O-N 3.04Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.42Å; A373-E376 PolarHBondContact O-N 3.36Å; A373-L377 VanDerWaalsContact O-CB 3.32Å; A373-L377 WeakPolarHBondContact O-CB 3.32Å; A373-L377 PolarHBondContact O-N 3.15Å
374	L	90.9	Very high	90.9	Very high	17 Å²	17	62.5 Å²	62.5	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-31.8	175.3	-71	175.8	0	0	0	112.8	L337 M370 Q372 L377 Q378 W411 P412 F414	L337-L374 HydrophobicContact CD2-CD2 3.98Å; M370-L374 HydrophobicContact CG-CD1 4.36Å; M370-L374 WeakPolarHBondContact O-CB 3.33Å; M370-L374 VanDerWaalsContact O-CG 3.28Å; M370-L374 WeakPolarHBondContact O-CG 3.25Å; M370-L374 PolarHBondContact O-N 2.99Å; Q372-L374 VanDerWaalsContact C-N 3.33Å; Q372-L374 PolarHBondContact O-N 3.11Å; L374-L377 HydrophobicContact CD2-CD2 4.2Å; L374-Q378 WeakPolarHBondContact O-CB 3.34Å; L374-Q378 PolarHBondContact O-N 2.85Å; L374-W411 HydrophobicContact CD1-CE3 3.93Å; L374-W411 HydrophobicContact CD1-CZ3 4.04Å; L374-P412 HydrophobicContact CB-CB 4.12Å; L374-P412 HydrophobicContact CB-CG 3.89Å; L374-F414 HydrophobicContact CB-CE2 4.18Å; L374-F414 HydrophobicContact CD2-CD2 4.28Å; L374-F414 HydrophobicContact CD2-CE2 4.25Å
375	G	91.8	Very high	91	Very high	28 Å²	28	66.4 Å²	66.4	29%	0.289	36%	0.355	S	S	.	.	H	α-helix	trans	-69.4	-43.2	176.4	0	0	0	0	0	111.9	K371 Q372 A373 L377 Q378 A379	K371-G375 PolarHBondContact O-N 3.05Å; K371-G375 VanDerWaalsContact O-N 3.17Å; Q372-G375 WeakPolarHBondContact O-CA 3.44Å; Q372-G375 PolarHBondContact O-N 2.99Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.42Å; G375-L377 VanDerWaalsContact C-N 3.34Å; G375-Q378 PolarHBondContact O-N 2.95Å; G375-A379 PolarHBondContact O-N 2.94Å; G375-A379 VanDerWaalsContact O-N 3.11Å
376	E	89.4	Confident	91.3	Very high	75 Å²	75	62.4 Å²	62.4	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-41.8	172.9	-69.2	-176.2	-171.1	0	0	111.8	Q372 A373 A379 R380	Q372-E376 PolarHBondContact O-N 3.11Å; A373-E376 PolarHBondContact O-N 3.36Å; E376-A379 PolarHBondContact O-N 3.21Å; E376-R380 WeakPolarHBondContact O-CG 3.28Å; E376-R380 PolarHBondContact O-N 3.04Å; E376-R380 IonicContact OE2-NH2 3.82Å
377	L	89.9	Confident	91.6	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-59.4	-47.9	176.6	-172.3	69.6	0	0	0	111.2	L337 L364 A373 L374 G375 A379 R380 H381 L384 F414	L337-L377 HydrophobicContact CD1-CD1 3.99Å; L337-L377 HydrophobicContact CD1-CD2 3.93Å; L337-L377 HydrophobicContact CD1-CG 4.48Å; L337-L377 HydrophobicContact CD2-CD2 3.81Å; L337-L377 HydrophobicContact CG-CD2 4.38Å; L364-L377 HydrophobicContact CB-CD1 4.03Å; L364-L377 HydrophobicContact CD1-CD1 3.95Å; A373-L377 VanDerWaalsContact O-CB 3.32Å; A373-L377 WeakPolarHBondContact O-CB 3.32Å; A373-L377 PolarHBondContact O-N 3.15Å; L374-L377 HydrophobicContact CD2-CD2 4.2Å; G375-L377 VanDerWaalsContact C-N 3.34Å; L377-A379 VanDerWaalsContact C-N 3.28Å; L377-A379 PolarHBondContact O-N 3.3Å; L377-R380 PolarHBondContact O-N 2.81Å; L377-H381 WeakPolarHBondContact O-CA 3.39Å; L377-H381 WeakPolarHBondContact O-CB 3.21Å; L377-H381 PolarHBondContact O-N 3.16Å; L377-L384 HydrophobicContact CD1-CD1 3.75Å; L377-L384 HydrophobicContact CD2-CD1 4.13Å; L377-L384 HydrophobicContact CG-CD1 3.85Å; L377-F414 HydrophobicContact CD2-CE1 4.5Å; L377-F414 HydrophobicContact CD2-CZ 4.23Å; L377-F414 HydrophobicContact CG-CZ 4.48Å
378	Q	90.9	Very high	92.1	Very high	79 Å²	79	57.3 Å²	57.3	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-36.5	177.8	-169.3	173.6	40.4	0	0	112.2	L374 G375 P382 F414	L374-Q378 WeakPolarHBondContact O-CB 3.34Å; L374-Q378 PolarHBondContact O-N 2.85Å; G375-Q378 PolarHBondContact O-N 2.95Å; Q378-P382 WeakPolarHBondContact O-CA 3.38Å; Q378-F414 HydrophobicContact CB-CE2 4.06Å; Q378-F414 HydrophobicContact CB-CZ 3.84Å; Q378-F414 HydrophobicContact CG-CZ 4.35Å
379	A	91.7	Very high	92.6	Very high	81 Å²	81	57 Å²	57	67%	0.669	30%	0.297	S	S	*	.	H	α-helix	trans	-73	-40.4	178.7	0	0	0	0	0	113.1	G375 E376 L377	G375-A379 PolarHBondContact O-N 2.94Å; G375-A379 VanDerWaalsContact O-N 3.11Å; E376-A379 PolarHBondContact O-N 3.21Å; L377-A379 VanDerWaalsContact C-N 3.28Å; L377-A379 PolarHBondContact O-N 3.3Å
380	R	93.4	Very high	92.9	Very high	161 Å²	161	54.9 Å²	54.9	61%	0.608	29%	0.285	S	S	*	.	H	α-helix	trans	-81.7	-29.1	-178.5	-68	-177.8	-169.3	170.4	9.7	113.1	E376 L377	E376-R380 WeakPolarHBondContact O-CG 3.28Å; E376-R380 PolarHBondContact O-N 3.04Å; E376-R380 IonicContact OE2-NH2 3.82Å; L377-R380 PolarHBondContact O-N 2.81Å
381	H	92.6	Very high	93.2	Very high	43 Å²	43	51.1 Å²	51.1	20%	0.199	27%	0.268	C	S	.	.			trans	-132.2	68.4	-175.4	-57.6	-83.3	0	0	0	110.1	L377 Q383 L384	L377-H381 WeakPolarHBondContact O-CA 3.39Å; L377-H381 WeakPolarHBondContact O-CB 3.21Å; L377-H381 PolarHBondContact O-N 3.16Å; H381-Q383 VanDerWaalsContact C-OE1 3.23Å; H381-Q383 PolarHBondContact O-N 3.1Å; H381-L384 HydrophobicContact CB-CB 4.49Å; H381-L384 HydrophobicContact CB-CD1 3.54Å; H381-L384 HydrophobicContact CB-CG 3.93Å; H381-L384 WeakPolarHBondContact O-CB 3.45Å; H381-L384 PolarHBondContact O-N 3.07Å
382	P	92.2	Very high	93.5	Very high	101 Å²	101	46.5 Å²	46.5	66%	0.656	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.6	-175.2	26.9	-36.7	0	0	0	114	Q378 L384	Q378-P382 WeakPolarHBondContact O-CA 3.38Å; P382-L384 VanDerWaalsContact C-N 3.34Å
383	Q	93.8	Very high	93.6	Very high	82 Å²	82	45.2 Å²	45.2	38%	0.383	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.9	173.5	71.7	-80.4	10.8	0	0	114	Q301 H381	Q301-Q383 WeakPolarHBondContact CA-O 3.46Å; Q301-Q383 WeakPolarHBondContact CG-O 3.46Å; H381-Q383 VanDerWaalsContact C-OE1 3.23Å; H381-Q383 PolarHBondContact O-N 3.1Å
384	L	94.9	Very high	93.5	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	27%	0.265	C	S	.	.			trans	-75.1	129	178	-74.3	171.6	0	0	0	110.3	T300 C303 L364 L377 H381 P382 F414	T300-L384 WeakPolarHBondContact O-CD2 3.24Å; C303-L384 HydrophobicContact CB-CD2 4.18Å; L364-L384 HydrophobicContact CD1-CD1 3.49Å; L364-L384 VanDerWaalsContact CD1-CD1 3.49Å; L377-L384 HydrophobicContact CD1-CD1 3.75Å; L377-L384 HydrophobicContact CD2-CD1 4.13Å; L377-L384 HydrophobicContact CG-CD1 3.85Å; H381-L384 HydrophobicContact CB-CB 4.49Å; H381-L384 HydrophobicContact CB-CD1 3.54Å; H381-L384 HydrophobicContact CB-CG 3.93Å; H381-L384 WeakPolarHBondContact O-CB 3.45Å; H381-L384 PolarHBondContact O-N 3.07Å; P382-L384 VanDerWaalsContact C-N 3.34Å; L384-F414 HydrophobicContact CB-CE1 3.96Å; L384-F414 WeakPolarHBondContact O-CE1 3.42Å
385	E	96.8	Very high	93.4	Very high	86 Å²	86	50.2 Å²	50.2	40%	0.402	27%	0.268	S	S	.	.			trans	-123.8	-23.4	-176.7	-68.1	-178.9	-149.3	0	0	112.7	Y297 Q301 F414 M415	Y297-E385 HydrophobicContact CD1-CB 4.06Å; Y297-E385 HydrophobicContact CE1-CB 3.91Å; Q301-E385 HydrophobicContact CB-CB 4.42Å; Q301-E385 HydrophobicContact CG-CG 4.44Å; Q301-E385 VanDerWaalsContact NE2-CD 3.31Å; Q301-E385 PolarHBondContact NE2-OE1 2.68Å; Q301-E385 PolarHBondContact O-N 3.23Å; E385-F414 CarbonylContact O-C 3.59Å; E385-F414 WeakPolarHBondContact O-CA 3.27Å; E385-M415 PolarHBondContact O-N 3.26Å
386	A	97.5	Very high	93.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.5	-173.8	0	0	0	0	0	112.9	Y297 Q301 L302 C303 M415 I417	Y297-A386 HydrophobicContact CD1-CB 4.2Å; Y297-A386 HydrophobicContact CD2-CB 4.07Å; Y297-A386 HydrophobicContact CE1-CB 4.07Å; Y297-A386 HydrophobicContact CE2-CB 3.94Å; Y297-A386 HydrophobicContact CG-CB 4.2Å; Q301-A386 PolarHBondContact O-N 3.48Å; Q301-A386 VanDerWaalsContact O-N 3.13Å; L302-A386 WeakPolarHBondContact CA-O 3.45Å; L302-A386 HydrophobicContact CD2-CB 3.65Å; C303-A386 PolarHBondContact N-O 3.48Å; A386-M415 CarbonylContact C-O 3.51Å; A386-M415 VanDerWaalsContact CA-O 3.26Å; A386-M415 WeakPolarHBondContact CA-O 3.28Å; A386-M415 HydrophobicContact CB-CB 3.86Å; A386-I417 HydrophobicContact CB-CD1 3.74Å; A386-I417 HydrophobicContact CB-CG1 4.44Å
387	V	97.1	Very high	92.9	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122	-179.3	-171.6	0	0	0	0	109.1	C303 M389 F414 M415 I417	C303-V387 CarbonylContact O-C 3.56Å; C303-V387 WeakPolarHBondContact O-CA 3.27Å; V387-M389 HydrophobicContact CG1-CG 4.41Å; V387-M389 HydrophobicContact CG1-SD 3.74Å; V387-F414 HydrophobicContact CG2-CB 4.5Å; V387-F414 HydrophobicContact CG2-CD1 4.16Å; V387-F414 HydrophobicContact CG2-CG 4.4Å; V387-M415 PolarHBondContact N-O 3.39Å; V387-I417 PolarHBondContact O-N 2.87Å
388	L	98.3	Very high	92.9	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130	170.6	-61.9	88.4	0	0	0	109.6	I290 L302 C303 V304 G305 L315 F319 I417	I290-L388 HydrophobicContact CG1-CD2 4.17Å; L302-L388 HydrophobicContact CB-CD1 4.27Å; L302-L388 HydrophobicContact CD2-CD1 3.86Å; C303-L388 WeakPolarHBondContact O-CD1 3.46Å; C303-L388 PolarHBondContact O-N 3.47Å; V304-L388 HydrophobicContact CG2-CB 4.3Å; V304-L388 HydrophobicContact CG2-CD1 4.34Å; G305-L388 PolarHBondContact N-O 2.88Å; L315-L388 HydrophobicContact CD1-CD2 4.42Å; L315-L388 HydrophobicContact CD2-CB 4.02Å; F319-L388 HydrophobicContact CB-CD2 4.44Å; F319-L388 HydrophobicContact CD2-CD1 4.38Å; F319-L388 HydrophobicContact CD2-CD2 3.51Å; F319-L388 HydrophobicContact CE2-CD1 4.07Å; F319-L388 HydrophobicContact CE2-CD2 3.93Å; F319-L388 HydrophobicContact CG-CD2 4.08Å; F319-L388 HydrophobicContact CZ-CD1 4.27Å; L388-I417 CarbonylContact C-O 3.36Å; L388-I417 WeakPolarHBondContact CA-O 3.29Å; L388-I417 HydrophobicContact CD1-CD1 4.28Å; L388-I417 HydrophobicContact CG-CB 4.17Å; L388-I417 HydrophobicContact CG-CD1 4.12Å; L388-I417 HydrophobicContact CG-CG2 4.36Å
389	M	96.4	Very high	92.7	Very high	47 Å²	47	60.5 Å²	60.5	23%	0.232	32%	0.316	C	S	.	.			trans	-123.4	129.2	-172.3	-62.5	-68	-66.9	0	0	110.6	V387 T391 I417 N418	V387-M389 HydrophobicContact CG1-CG 4.41Å; V387-M389 HydrophobicContact CG1-SD 3.74Å; M389-T391 PolarHBondContact O-N 3.03Å; M389-I417 PolarHBondContact N-O 2.96Å; M389-N418 WeakPolarHBondContact CB-OD1 3.44Å
390	G	94.9	Very high	92.6	Very high	14 Å²	14	61.6 Å²	61.6	14%	0.144	32%	0.319	C	S	.	.			trans	-76.5	35	177.4	0	0	0	0	0	113.5	D311 L315	D311-G390 WeakPolarHBondContact CB-O 3.34Å; L315-G390 VanDerWaalsContact CD2-N 3.27Å
391	T	94.5	Very high	92.5	Very high	26 Å²	26	55 Å²	55	16%	0.16	30%	0.296	C	S	.	.			trans	-82.5	135.1	-174.4	-49.8	0	0	0	0	110.5	M389 D395 L401 L420 L421	M389-T391 PolarHBondContact O-N 3.03Å; T391-D395 HydrophobicContact CG2-CB 4.19Å; T391-L401 HydrophobicContact CG2-CD1 4.14Å; T391-L420 CarbonylContact O-C 3.51Å; T391-L421 PolarHBondContact O-N 2.79Å
392	R	95.1	Very high	92.7	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	31%	0.31	C	S	.	.			trans	-106.2	157.7	171	-62.6	178.1	-59.9	140.2	12	110.4	D311 T394 D395 S398 W423 Y425 E485	D311-R392 IonicContact OD1-CZ 3.78Å; D311-R392 IonicContact OD1-NE 3.55Å; D311-R392 PolarHBondContact OD1-NE 2.97Å; R392-T394 PolarHBondContact O-N 3Å; R392-D395 PolarHBondContact N-OD2 3.25Å; R392-D395 IonicContact NH2-OD1 2.72Å; R392-D395 PolarHBondContact NH2-OD1 2.87Å; R392-D395 VanDerWaalsContact O-CB 3.24Å; R392-D395 WeakPolarHBondContact O-CB 3.41Å; R392-D395 PolarHBondContact O-N 3.03Å; R392-S398 WeakPolarHBondContact O-CB 3.48Å; R392-S398 PolarHBondContact O-OG 3.44Å; R392-W423 WeakPolarHBondContact CD-O 3.19Å; R392-Y425 VanDerWaalsContact NH1-N 3.13Å; R392-E485 IonicContact CZ-OE2 3.65Å; R392-E485 IonicContact NH1-OE2 2.85Å; R392-E485 PolarHBondContact NH1-OE2 2.97Å; R392-E485 VanDerWaalsContact NH2-CD 3.28Å; R392-E485 IonicContact NH2-OE1 2.64Å; R392-E485 PolarHBondContact NH2-OE1 3.22Å; R392-E485 VanDerWaalsContact NH2-OE1 3.13Å; R392-E485 IonicContact NH2-OE2 3.66Å; R392-E485 PolarHBondContact NH2-OE2 3.07Å
393	R	93.5	Very high	92.9	Very high	91 Å²	91	54.3 Å²	54.3	34%	0.343	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.5	-179.2	-166	177.4	-58.7	-69.5	-2.6	113.3	D395 S398 C399 L401 L421 D422	R393-D395 VanDerWaalsContact C-N 3.29Å; R393-S398 PolarHBondContact O-OG 2.81Å; R393-C399 PolarHBondContact NH1-O 2.93Å; R393-L401 PolarHBondContact NH1-O 2.86Å; R393-L421 WeakPolarHBondContact CB-O 3.42Å; R393-L421 PolarHBondContact N-O 2.64Å; R393-D422 IonicContact CZ-OD1 3.65Å; R393-D422 VanDerWaalsContact CZ-OD1 3.28Å; R393-D422 IonicContact NE-OD1 3.45Å; R393-D422 PolarHBondContact NE-OD1 3.25Å; R393-D422 IonicContact NH2-OD1 2.75Å; R393-D422 PolarHBondContact NH2-OD1 3.25Å; R393-D422 IonicContact NH2-OD2 3.64Å
394	T	88.6	Confident	93.1	Very high	94 Å²	94	53 Å²	53	58%	0.577	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.2	175.2	51.7	0	0	0	0	113.1	R392 R486	R392-T394 PolarHBondContact O-N 3Å; T394-R486 PolarHBondContact O-NH1 2.74Å
395	D	88.1	Confident	93.1	Very high	28 Å²	28	53.3 Å²	53.3	15%	0.15	29%	0.292	C	S	.	.	S	Bend	trans	-74.7	156.5	172.8	-60.4	-22.4	0	0	0	111.7	T391 R392 R393 Y397 S398 R486	T391-D395 HydrophobicContact CG2-CB 4.19Å; R392-D395 PolarHBondContact N-OD2 3.25Å; R392-D395 IonicContact NH2-OD1 2.72Å; R392-D395 PolarHBondContact NH2-OD1 2.87Å; R392-D395 VanDerWaalsContact O-CB 3.24Å; R392-D395 WeakPolarHBondContact O-CB 3.41Å; R392-D395 PolarHBondContact O-N 3.03Å; R393-D395 VanDerWaalsContact C-N 3.29Å; D395-Y397 PolarHBondContact O-N 3.49Å; D395-S398 PolarHBondContact N-OG 3.3Å; D395-S398 PolarHBondContact O-N 2.9Å; D395-S398 PolarHBondContact O-OG 3.47Å; D395-R486 IonicContact OD1-CZ 3.17Å; D395-R486 IonicContact OD1-NH1 3.05Å; D395-R486 IonicContact OD1-NH2 2.6Å; D395-R486 PolarHBondContact OD1-NH2 3.39Å
396	P	85	Confident	93.1	Very high	78 Å²	78	53.2 Å²	53.2	51%	0.506	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	135.2	-179.3	-21	35.5	0	0	0	110	S398 R486	P396-S398 PolarHBondContact O-N 3.28Å; P396-R486 VanDerWaalsContact CD-CZ 3.46Å
397	Y	85.6	Confident	92.9	Very high	235 Å²	235	54.3 Å²	54.3	92%	0.922	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	15.3	176.6	-40.6	-74.6	0	0	0	115.6	D395	D395-Y397 PolarHBondContact O-N 3.49Å
398	S	89.1	Confident	92.6	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.014	32%	0.323	C	S	.	.			trans	-106	-2.7	-176.5	68.3	0	0	0	0	115.3	R392 R393 D395 P396 S400 L401	R392-S398 WeakPolarHBondContact O-CB 3.48Å; R392-S398 PolarHBondContact O-OG 3.44Å; R393-S398 PolarHBondContact O-OG 2.81Å; D395-S398 PolarHBondContact N-OG 3.3Å; D395-S398 PolarHBondContact O-N 2.9Å; D395-S398 PolarHBondContact O-OG 3.47Å; P396-S398 PolarHBondContact O-N 3.28Å; S398-S400 PolarHBondContact O-N 3.32Å; S398-S400 VanDerWaalsContact O-N 3.1Å; S398-L401 WeakPolarHBondContact O-CB 3.47Å; S398-L401 WeakPolarHBondContact O-CG 3.48Å; S398-L401 PolarHBondContact O-N 3.25Å
399	C	87.8	Confident	92.3	Very high	90 Å²	90	64.2 Å²	64.2	61%	0.608	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.7	-168.6	61.7	0	0	0	0	114.4	R393	R393-C399 PolarHBondContact NH1-O 2.93Å
400	S	89.1	Confident	92	Very high	103 Å²	103	65 Å²	65	72%	0.72	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	7.6	-178.8	61.3	0	0	0	0	114.1	S398	S398-S400 PolarHBondContact O-N 3.32Å; S398-S400 VanDerWaalsContact O-N 3.1Å
401	L	92.3	Very high	92	Very high	24 Å²	24	68.3 Å²	68.3	13%	0.126	39%	0.393	C	S	.	.			trans	-70.3	144.7	179.7	-67.8	179.2	0	0	0	111.5	T391 R393 S398 L421	T391-L401 HydrophobicContact CG2-CD1 4.14Å; R393-L401 PolarHBondContact NH1-O 2.86Å; S398-L401 WeakPolarHBondContact O-CB 3.47Å; S398-L401 WeakPolarHBondContact O-CG 3.48Å; S398-L401 PolarHBondContact O-N 3.25Å; L401-L421 HydrophobicContact CB-CD1 4.23Å; L401-L421 HydrophobicContact CB-CD2 3.9Å; L401-L421 HydrophobicContact CD1-CD2 4.38Å; L401-L421 WeakPolarHBondContact O-CD1 3.48Å
402	C	95.4	Very high	91.9	Very high	73 Å²	73	67.9 Å²	67.9	49%	0.493	39%	0.391	S	S	.	.			trans	-100.8	159.8	169.6	-67.5	0	0	0	0	110.1	F404 S405 N418 L421	C402-F404 PolarHBondContact O-N 3.3Å; C402-S405 PolarHBondContact N-OG 3.45Å; C402-S405 PolarHBondContact O-OG 2.99Å; C402-N418 PolarHBondContact O-ND2 3.31Å; C402-L421 VanDerWaalsContact C-CD1 3.49Å
403	P	96.9	Very high	91.8	Very high	56 Å²	56	73 Å²	73	36%	0.364	42%	0.422	S	S	.	.	S	Bend	trans	-52.1	-33.5	177.6	-28.8	35.8	0	0	0	113.6	T289 I417 N418	T289-P403 HydrophobicContact CG2-CB 3.9Å; P403-I417 CarbonylContact O-C 3.59Å; P403-I417 WeakPolarHBondContact O-CA 3.49Å; P403-N418 PolarHBondContact O-N 3.21Å
404	F	97.9	Very high	91.9	Very high	54 Å²	54	69 Å²	69	24%	0.237	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.4	170.7	-67	-97.1	0	0	0	108.7	T289 T292 A293 C402 M415 R416 I417	T289-F404 HydrophobicContact CG2-CE2 3.8Å; T289-F404 HydrophobicContact CG2-CZ 4.15Å; T289-F404 WeakPolarHBondContact O-CZ 3.28Å; T292-F404 HydrophobicContact CG2-CE2 4.03Å; T292-F404 HydrophobicContact CG2-CZ 3.83Å; A293-F404 HydrophobicContact CB-CE1 3.98Å; A293-F404 HydrophobicContact CB-CZ 4.12Å; C402-F404 PolarHBondContact O-N 3.3Å; F404-M415 HydrophobicContact CB-SD 3.81Å; F404-M415 HydrophobicContact CD1-CG 4.03Å; F404-M415 HydrophobicContact CD1-SD 4.32Å; F404-R416 WeakPolarHBondContact CA-O 3.48Å; F404-I417 HydrophobicContact CD1-CG1 3.94Å; F404-I417 HydrophobicContact CE1-CD1 4.37Å; F404-I417 HydrophobicContact CE1-CG1 3.83Å; F404-I417 HydrophobicContact CE1-CG2 4.08Å; F404-I417 HydrophobicContact CZ-CG2 4.23Å
405	S	95.4	Very high	92.3	Very high	13 Å²	13	66.6 Å²	66.6	9%	0.091	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	121.2	-179.1	-59.9	0	0	0	0	110.1	C402 M415 R416	C402-S405 PolarHBondContact N-OG 3.45Å; C402-S405 PolarHBondContact O-OG 2.99Å; S405-M415 VanDerWaalsContact C-SD 3.57Å; S405-M415 PolarHBondContact N-SD 3.44Å; S405-M415 VanDerWaalsContact N-SD 3.4Å; S405-R416 PolarHBondContact N-O 2.85Å; S405-R416 WeakPolarHBondContact O-CA 3.25Å; S405-R416 WeakPolarHBondContact O-CB 3.44Å; S405-R416 PolarHBondContact O-N 2.8Å; S405-R416 PolarHBondContact O-NE 2.94Å
406	P	95.4	Very high	92.7	Very high	84 Å²	84	68 Å²	68	55%	0.545	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	156.4	171.4	27.8	-34.1	0	0	0	110.1	F414 R416	P406-F414 WeakPolarHBondContact CA-O 3.12Å; P406-R416 PolarHBondContact O-NE 2.79Å; P406-R416 PolarHBondContact O-NH2 3.36Å
407	T	93.9	Very high	93.3	Very high	22 Å²	22	64.3 Å²	64.3	14%	0.135	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-59.2	155.6	169	45.4	0	0	0	0	111.6	P412 F414 R416	T407-P412 WeakPolarHBondContact CB-O 3.02Å; T407-P412 PolarHBondContact OG1-O 3.45Å; T407-F414 HydrophobicContact CG2-CB 4Å; T407-F414 PolarHBondContact N-O 3.28Å; T407-F414 PolarHBondContact OG1-N 3.38Å; T407-R416 HydrophobicContact CG2-CG 4.2Å
408	D	91.2	Very high	93.9	Very high	79 Å²	79	53.2 Å²	53.2	42%	0.422	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-68	154.8	-174.8	-55.4	-25.5	0	0	0	111.3	G410 W411 R416	D408-G410 PolarHBondContact O-N 3.48Å; D408-W411 VanDerWaalsContact O-CB 3.3Å; D408-W411 WeakPolarHBondContact O-CB 3.42Å; D408-W411 PolarHBondContact O-N 2.93Å; D408-R416 IonicContact OD1-CZ 3.28Å; D408-R416 IonicContact OD1-NH1 3.76Å; D408-R416 IonicContact OD1-NH2 2.93Å; D408-R416 PolarHBondContact OD1-NH2 2.98Å
409	P	92.2	Very high	94.4	Very high	135 Å²	135	53.5 Å²	53.5	88%	0.877	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	131.1	178.6	-28.2	35.6	0	0	0	113.1	W411	P409-W411 VanDerWaalsContact C-N 3.35Å
410	G	90.2	Very high	94.9	Very high	62 Å²	62	49.2 Å²	49.2	64%	0.639	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	4.8	-178.3	0	0	0	0	0	115.1	K371 D408	K371-G410 WeakPolarHBondContact CE-O 3.37Å; K371-G410 PolarHBondContact NZ-O 3.3Å; D408-G410 PolarHBondContact O-N 3.48Å
411	W	93.8	Very high	95.3	Very high	84 Å²	84	44.5 Å²	44.5	32%	0.318	27%	0.265	S	S	.	.	S	Bend	trans	-92.5	160.2	165	-72.8	67.9	0	0	0	111.5	M370 K371 L374 D408 P409 V413	M370-W411 HydrophobicContact CB-CH2 4.16Å; M370-W411 HydrophobicContact CB-CZ3 4.08Å; M370-W411 HydrophobicContact CG-CH2 4.38Å; M370-W411 HydrophobicContact CG-CZ3 3.98Å; K371-W411 VanDerWaalsContact CA-CZ3 3.47Å; K371-W411 HydrophobicContact CB-CD2 4.19Å; K371-W411 HydrophobicContact CB-CE3 3.83Å; K371-W411 HydrophobicContact CB-CH2 3.87Å; K371-W411 HydrophobicContact CB-CZ2 4.21Å; K371-W411 HydrophobicContact CB-CZ3 3.67Å; K371-W411 HydrophobicContact CD-CD2 4.29Å; K371-W411 HydrophobicContact CG-CD2 4.03Å; K371-W411 HydrophobicContact CG-CE3 4Å; K371-W411 HydrophobicContact CG-CZ3 4.36Å; L374-W411 HydrophobicContact CD1-CE3 3.93Å; L374-W411 HydrophobicContact CD1-CZ3 4.04Å; D408-W411 VanDerWaalsContact O-CB 3.3Å; D408-W411 WeakPolarHBondContact O-CB 3.42Å; D408-W411 PolarHBondContact O-N 2.93Å; P409-W411 VanDerWaalsContact C-N 3.35Å; W411-V413 PolarHBondContact O-N 3.3Å
412	P	92.4	Very high	95.4	Very high	17 Å²	17	47.5 Å²	47.5	11%	0.11	28%	0.281	C	S	.	.			trans	-50.7	136.6	165.4	-26.4	35.9	0	0	0	110.9	L374 T407 F414	L374-P412 HydrophobicContact CB-CB 4.12Å; L374-P412 HydrophobicContact CB-CG 3.89Å; T407-P412 WeakPolarHBondContact CB-O 3.02Å; T407-P412 PolarHBondContact OG1-O 3.45Å; P412-F414 HydrophobicContact CB-CD2 3.99Å; P412-F414 HydrophobicContact CB-CE2 3.73Å; P412-F414 PolarHBondContact O-N 3Å
413	V	93.4	Very high	95.5	Very high	110 Å²	110	44.3 Å²	44.3	67%	0.667	26%	0.259	S	S	*	.			trans	-79.4	108.4	-171.5	-177.9	0	0	0	0	109.9	W411	W411-V413 PolarHBondContact O-N 3.3Å
414	F	95.5	Very high	95.5	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	26%	0.258	C	S	.	.			trans	-138.3	151.9	172.7	-69.6	-83.9	0	0	0	109.9	L374 L377 Q378 L384 E385 V387 P406 T407 P412	L374-F414 HydrophobicContact CB-CE2 4.18Å; L374-F414 HydrophobicContact CD2-CD2 4.28Å; L374-F414 HydrophobicContact CD2-CE2 4.25Å; L377-F414 HydrophobicContact CD2-CE1 4.5Å; L377-F414 HydrophobicContact CD2-CZ 4.23Å; L377-F414 HydrophobicContact CG-CZ 4.48Å; Q378-F414 HydrophobicContact CB-CE2 4.06Å; Q378-F414 HydrophobicContact CB-CZ 3.84Å; Q378-F414 HydrophobicContact CG-CZ 4.35Å; L384-F414 HydrophobicContact CB-CE1 3.96Å; L384-F414 WeakPolarHBondContact O-CE1 3.42Å; E385-F414 CarbonylContact O-C 3.59Å; E385-F414 WeakPolarHBondContact O-CA 3.27Å; V387-F414 HydrophobicContact CG2-CB 4.5Å; V387-F414 HydrophobicContact CG2-CD1 4.16Å; V387-F414 HydrophobicContact CG2-CG 4.4Å; P406-F414 WeakPolarHBondContact CA-O 3.12Å; T407-F414 HydrophobicContact CG2-CB 4Å; T407-F414 PolarHBondContact N-O 3.28Å; T407-F414 PolarHBondContact OG1-N 3.38Å; P412-F414 HydrophobicContact CB-CD2 3.99Å; P412-F414 HydrophobicContact CB-CE2 3.73Å; P412-F414 PolarHBondContact O-N 3Å
415	M	97.6	Very high	95.4	Very high	44 Å²	44	41.9 Å²	41.9	22%	0.217	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.1	164.6	-177.2	56.9	68.3	0	0	109.9	Y297 E385 A386 V387 F404 S405 I417	Y297-M415 WeakPolarHBondContact OH-CB 3.49Å; E385-M415 PolarHBondContact O-N 3.26Å; A386-M415 CarbonylContact C-O 3.51Å; A386-M415 VanDerWaalsContact CA-O 3.26Å; A386-M415 WeakPolarHBondContact CA-O 3.28Å; A386-M415 HydrophobicContact CB-CB 3.86Å; V387-M415 PolarHBondContact N-O 3.39Å; F404-M415 HydrophobicContact CB-SD 3.81Å; F404-M415 HydrophobicContact CD1-CG 4.03Å; F404-M415 HydrophobicContact CD1-SD 4.32Å; S405-M415 VanDerWaalsContact C-SD 3.57Å; S405-M415 PolarHBondContact N-SD 3.44Å; S405-M415 VanDerWaalsContact N-SD 3.4Å; M415-I417 HydrophobicContact CG-CG1 4.16Å
416	R	96.8	Very high	95.5	Very high	57 Å²	57	47.6 Å²	47.6	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.2	169.6	-56.1	175.4	-75.8	-170.9	-11.2	108.5	F404 S405 P406 T407 D408	F404-R416 WeakPolarHBondContact CA-O 3.48Å; S405-R416 PolarHBondContact N-O 2.85Å; S405-R416 WeakPolarHBondContact O-CA 3.25Å; S405-R416 WeakPolarHBondContact O-CB 3.44Å; S405-R416 PolarHBondContact O-N 2.8Å; S405-R416 PolarHBondContact O-NE 2.94Å; P406-R416 PolarHBondContact O-NE 2.79Å; P406-R416 PolarHBondContact O-NH2 3.36Å; T407-R416 HydrophobicContact CG2-CG 4.2Å; D408-R416 IonicContact OD1-CZ 3.28Å; D408-R416 IonicContact OD1-NH1 3.76Å; D408-R416 IonicContact OD1-NH2 2.93Å; D408-R416 PolarHBondContact OD1-NH2 2.98Å
417	I	98.4	Very high	95.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.5	176.7	-54.7	159.3	0	0	0	107.2	T289 A293 L302 A386 V387 L388 M389 P403 F404 M415 P419	T289-I417 HydrophobicContact CG2-CG2 3.91Å; A293-I417 HydrophobicContact CB-CD1 3.55Å; A293-I417 HydrophobicContact CB-CG1 4.37Å; A293-I417 HydrophobicContact CB-CG2 4.26Å; L302-I417 HydrophobicContact CD2-CD1 3.65Å; A386-I417 HydrophobicContact CB-CD1 3.74Å; A386-I417 HydrophobicContact CB-CG1 4.44Å; V387-I417 PolarHBondContact O-N 2.87Å; L388-I417 CarbonylContact C-O 3.36Å; L388-I417 WeakPolarHBondContact CA-O 3.29Å; L388-I417 HydrophobicContact CD1-CD1 4.28Å; L388-I417 HydrophobicContact CG-CB 4.17Å; L388-I417 HydrophobicContact CG-CD1 4.12Å; L388-I417 HydrophobicContact CG-CG2 4.36Å; M389-I417 PolarHBondContact N-O 2.96Å; P403-I417 CarbonylContact O-C 3.59Å; P403-I417 WeakPolarHBondContact O-CA 3.49Å; F404-I417 HydrophobicContact CD1-CG1 3.94Å; F404-I417 HydrophobicContact CE1-CD1 4.37Å; F404-I417 HydrophobicContact CE1-CG1 3.83Å; F404-I417 HydrophobicContact CE1-CG2 4.08Å; F404-I417 HydrophobicContact CZ-CG2 4.23Å; M415-I417 HydrophobicContact CG-CG1 4.16Å; I417-P419 HydrophobicContact CG2-CG 4.17Å; I417-P419 WeakPolarHBondContact O-CD 3.38Å
418	N	98.1	Very high	95.8	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	24%	0.239	C	C	.	.			trans	-122.2	80.2	-173.4	-52.3	-80.3	0	0	0	111.3	M389 C402 P403 L420 L421	M389-N418 WeakPolarHBondContact CB-OD1 3.44Å; C402-N418 PolarHBondContact O-ND2 3.31Å; P403-N418 PolarHBondContact O-N 3.21Å; N418-L420 VanDerWaalsContact C-N 3.26Å; N418-L420 PolarHBondContact O-N 3.22Å; N418-L421 HydrophobicContact CB-CD1 3.83Å; N418-L421 HydrophobicContact CB-CD2 3.82Å; N418-L421 HydrophobicContact CB-CG 3.54Å; N418-L421 WeakPolarHBondContact O-CG 3.22Å
419	P	98.4	Very high	96.1	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.052	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.6	-176.9	-22.8	37	0	0	0	114.7	A286 T289 I290 L315 I417	A286-P419 HydrophobicContact CB-CB 4.03Å; A286-P419 WeakPolarHBondContact CB-O 3.33Å; T289-P419 HydrophobicContact CG2-CB 4.28Å; T289-P419 HydrophobicContact CG2-CG 4.09Å; I290-P419 HydrophobicContact CD1-CB 4.16Å; I290-P419 HydrophobicContact CD1-CG 4.15Å; I290-P419 HydrophobicContact CG1-CB 3.95Å; I290-P419 HydrophobicContact CG1-CG 3.58Å; L315-P419 HydrophobicContact CD1-CB 4.13Å; L315-P419 HydrophobicContact CD1-CG 3.66Å; I417-P419 HydrophobicContact CG2-CG 4.17Å; I417-P419 WeakPolarHBondContact O-CD 3.38Å
420	L	98.2	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	10.3	-172.1	-54.5	-172.4	0	0	0	113.9	A286 D311 A314 L315 L318 T391 N418 D422 W423 I428	A286-L420 HydrophobicContact CB-CD2 4.24Å; D311-L420 WeakPolarHBondContact O-CD1 3.34Å; A314-L420 HydrophobicContact CB-CD1 4.39Å; L315-L420 HydrophobicContact CB-CD1 3.85Å; L315-L420 HydrophobicContact CB-CG 4.42Å; L318-L420 HydrophobicContact CD1-CD2 3.64Å; T391-L420 CarbonylContact O-C 3.51Å; N418-L420 VanDerWaalsContact C-N 3.26Å; N418-L420 PolarHBondContact O-N 3.22Å; L420-D422 PolarHBondContact O-N 3.02Å; L420-D422 VanDerWaalsContact O-N 3.11Å; L420-W423 HydrophobicContact CB-CB 4.46Å; L420-W423 HydrophobicContact CB-CG 4.27Å; L420-W423 HydrophobicContact CD2-CD2 3.84Å; L420-W423 HydrophobicContact CD2-CE3 4.31Å; L420-W423 HydrophobicContact CD2-CG 4.2Å; L420-W423 HydrophobicContact CD2-CH2 4.35Å; L420-W423 HydrophobicContact CD2-CZ2 3.91Å; L420-W423 WeakPolarHBondContact O-CB 3.24Å; L420-W423 PolarHBondContact O-N 3.13Å; L420-I428 HydrophobicContact CD1-CD1 3.95Å
421	L	96.9	Very high	96.8	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-43.3	-171.4	-76.5	173.2	0	0	0	113.3	T391 R393 L401 C402 N418	T391-L421 PolarHBondContact O-N 2.79Å; R393-L421 WeakPolarHBondContact CB-O 3.42Å; R393-L421 PolarHBondContact N-O 2.64Å; L401-L421 HydrophobicContact CB-CD1 4.23Å; L401-L421 HydrophobicContact CB-CD2 3.9Å; L401-L421 HydrophobicContact CD1-CD2 4.38Å; L401-L421 WeakPolarHBondContact O-CD1 3.48Å; C402-L421 VanDerWaalsContact C-CD1 3.49Å; N418-L421 HydrophobicContact CB-CD1 3.83Å; N418-L421 HydrophobicContact CB-CD2 3.82Å; N418-L421 HydrophobicContact CB-CG 3.54Å; N418-L421 WeakPolarHBondContact O-CG 3.22Å
422	D	95.6	Very high	97	Very high	86 Å²	86	30.1 Å²	30.1	46%	0.46	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	15.8	-174.7	-57.5	-48	0	0	0	113.3	K282 R393 L420	K282-D422 WeakPolarHBondContact CE-O 3.17Å; K282-D422 PolarHBondContact NZ-O 2.62Å; R393-D422 IonicContact CZ-OD1 3.65Å; R393-D422 VanDerWaalsContact CZ-OD1 3.28Å; R393-D422 IonicContact NE-OD1 3.45Å; R393-D422 PolarHBondContact NE-OD1 3.25Å; R393-D422 IonicContact NH2-OD1 2.75Å; R393-D422 PolarHBondContact NH2-OD1 3.25Å; R393-D422 IonicContact NH2-OD2 3.64Å; L420-D422 PolarHBondContact O-N 3.02Å; L420-D422 VanDerWaalsContact O-N 3.11Å
423	W	97.9	Very high	97.2	Very high	7 Å²	7	32 Å²	32	3%	0.027	16%	0.157	C	C	.	.			trans	-84.4	138.1	172.4	-71.6	45.2	0	0	0	110.4	L279 K282 V283 A286 L318 R392 L420 D427 I428 F431	L279-W423 HydrophobicContact CD1-CZ3 4.47Å; K282-W423 HydrophobicContact CB-CZ2 4.42Å; K282-W423 PolarHBondContact O-NE1 2.93Å; V283-W423 HydrophobicContact CG2-CH2 3.83Å; V283-W423 HydrophobicContact CG2-CZ2 3.9Å; A286-W423 HydrophobicContact CB-CZ2 4.1Å; L318-W423 HydrophobicContact CD1-CH2 3.92Å; L318-W423 HydrophobicContact CD1-CZ2 3.89Å; R392-W423 WeakPolarHBondContact CD-O 3.19Å; L420-W423 HydrophobicContact CB-CB 4.46Å; L420-W423 HydrophobicContact CB-CG 4.27Å; L420-W423 HydrophobicContact CD2-CD2 3.84Å; L420-W423 HydrophobicContact CD2-CE3 4.31Å; L420-W423 HydrophobicContact CD2-CG 4.2Å; L420-W423 HydrophobicContact CD2-CH2 4.35Å; L420-W423 HydrophobicContact CD2-CZ2 3.91Å; L420-W423 WeakPolarHBondContact O-CB 3.24Å; L420-W423 PolarHBondContact O-N 3.13Å; W423-D427 HydrophobicContact CB-CB 4.16Å; W423-D427 HydrophobicContact CD2-CB 4.23Å; W423-D427 HydrophobicContact CE3-CB 3.87Å; W423-D427 HydrophobicContact CG-CB 4.39Å; W423-I428 HydrophobicContact CB-CD1 4.32Å; W423-I428 HydrophobicContact CD2-CD1 4.36Å; W423-I428 HydrophobicContact CE3-CD1 3.61Å; W423-I428 HydrophobicContact CE3-CG1 4.23Å; W423-I428 HydrophobicContact CZ3-CD1 4.27Å; W423-F431 HydrophobicContact CH2-CB 3.96Å; W423-F431 HydrophobicContact CH2-CD1 4.3Å; W423-F431 AromaticContact CH2-CD2 3.72Å; W423-F431 HydrophobicContact CH2-CD2 3.72Å; W423-F431 HydrophobicContact CH2-CE2 4.26Å; W423-F431 AromaticContact CH2-CG 3.73Å; W423-F431 HydrophobicContact CH2-CG 3.73Å; W423-F431 HydrophobicContact CZ3-CB 3.54Å; W423-F431 HydrophobicContact CZ3-CD1 4.23Å; W423-F431 HydrophobicContact CZ3-CD2 4.19Å; W423-F431 AromaticContact CZ3-CG 3.74Å; W423-F431 HydrophobicContact CZ3-CG 3.74Å
424	T	96.3	Very high	97.3	Very high	55 Å²	55	31.9 Å²	31.9	34%	0.337	15%	0.149	S	C	.	.			trans	-84.3	177.2	173.9	62.9	0	0	0	0	111.3	R426 D427 I428 E482	T424-R426 VanDerWaalsContact C-N 3.31Å; T424-D427 WeakPolarHBondContact CB-OD2 3.38Å; T424-D427 WeakPolarHBondContact CG2-OD2 3.44Å; T424-D427 PolarHBondContact N-OD2 3.44Å; T424-D427 PolarHBondContact OG1-N 3.47Å; T424-D427 VanDerWaalsContact OG1-N 3.07Å; T424-D427 PolarHBondContact OG1-OD2 3.3Å; T424-I428 WeakPolarHBondContact O-CG1 3.42Å; T424-E482 WeakPolarHBondContact CB-OE2 3.47Å
425	Y	96.4	Very high	97.3	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-39.5	172.7	176.4	-93.4	0	0	0	111	K310 R392 I428 W429 A476 L479 E482 E485	K310-Y425 HydrophobicContact CD-CE2 4.34Å; R392-Y425 VanDerWaalsContact NH1-N 3.13Å; Y425-I428 PolarHBondContact O-N 2.94Å; Y425-W429 AromaticContact CD1-CD1 3.65Å; Y425-W429 AromaticContact CD1-NE1 3.94Å; Y425-W429 AromaticContact CE1-CD1 3.29Å; Y425-W429 AromaticContact CE1-NE1 3.26Å; Y425-W429 VanDerWaalsContact CE1-NE1 3.26Å; Y425-W429 AromaticContact CE2-NE1 3.38Å; Y425-W429 AromaticContact CZ-CD1 3.56Å; Y425-W429 AromaticContact CZ-NE1 2.96Å; Y425-W429 VanDerWaalsContact O-CD1 3.3Å; Y425-W429 PolarHBondContact O-N 3.48Å; Y425-W429 PolarHBondContact OH-NE1 3.27Å; Y425-W429 VanDerWaalsContact OH-NE1 3.07Å; Y425-A476 VanDerWaalsContact OH-C 3.26Å; Y425-A476 PolarHBondContact OH-O 2.93Å; Y425-L479 HydrophobicContact CE1-CB 3.76Å; Y425-L479 HydrophobicContact CE1-CD2 4.04Å; Y425-L479 HydrophobicContact CE1-CG 4.47Å; Y425-L479 HydrophobicContact CE2-CD2 4.44Å; Y425-E482 WeakPolarHBondContact CB-OE2 3.47Å; Y425-E482 HydrophobicContact CD1-CG 4.21Å; Y425-E482 HydrophobicContact CG-CB 4.48Å; Y425-E482 HydrophobicContact CG-CG 4.36Å; Y425-E482 PolarHBondContact N-OE2 3.4Å; Y425-E485 HydrophobicContact CD2-CB 4.18Å; Y425-E485 VanDerWaalsContact CD2-CD 3.47Å; Y425-E485 HydrophobicContact CD2-CG 3.83Å; Y425-E485 VanDerWaalsContact CD2-OE2 3.27Å; Y425-E485 WeakPolarHBondContact CD2-OE2 3.46Å; Y425-E485 HydrophobicContact CE2-CB 4.23Å; Y425-E485 HydrophobicContact CE2-CG 3.73Å
426	R	96.6	Very high	97.2	Very high	133 Å²	133	31.2 Å²	31.2	50%	0.502	15%	0.145	S	C	.	.	H	α-helix	trans	-65.5	-42	176.7	-174.2	167.6	-60.9	171.9	4.7	112.8	T424 I428 W429 D430 E482	T424-R426 VanDerWaalsContact C-N 3.31Å; R426-I428 PolarHBondContact O-N 2.95Å; R426-W429 PolarHBondContact O-N 2.71Å; R426-W429 VanDerWaalsContact O-N 3.1Å; R426-D430 WeakPolarHBondContact CG-OD2 3.48Å; R426-D430 WeakPolarHBondContact O-CB 3.33Å; R426-D430 PolarHBondContact O-N 3.11Å; R426-E482 WeakPolarHBondContact CB-OE1 3.4Å; R426-E482 PolarHBondContact N-OE1 3.14Å
427	D	98	Very high	97.2	Very high	18 Å²	18	28.5 Å²	28.5	10%	0.096	14%	0.135	C	C	.	.	H	α-helix	trans	-57.1	-39.5	178.6	-64.7	-41.8	0	0	0	112.2	L279 W423 T424 F431	L279-D427 HydrophobicContact CD1-CB 4.05Å; W423-D427 HydrophobicContact CB-CB 4.16Å; W423-D427 HydrophobicContact CD2-CB 4.23Å; W423-D427 HydrophobicContact CE3-CB 3.87Å; W423-D427 HydrophobicContact CG-CB 4.39Å; T424-D427 WeakPolarHBondContact CB-OD2 3.38Å; T424-D427 WeakPolarHBondContact CG2-OD2 3.44Å; T424-D427 PolarHBondContact N-OD2 3.44Å; T424-D427 PolarHBondContact OG1-N 3.47Å; T424-D427 VanDerWaalsContact OG1-N 3.07Å; T424-D427 PolarHBondContact OG1-OD2 3.3Å; D427-F431 VanDerWaalsContact O-CB 3.25Å; D427-F431 WeakPolarHBondContact O-CB 3.41Å; D427-F431 PolarHBondContact O-N 2.93Å
428	I	98.3	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-47.2	177.7	-62.7	-72.8	0	0	0	110.7	K310 D311 A314 L420 W423 T424 Y425 R426 L432	K310-I428 HydrophobicContact CB-CG2 4.06Å; K310-I428 HydrophobicContact CD-CG2 4.1Å; K310-I428 HydrophobicContact CG-CG2 3.89Å; D311-I428 WeakPolarHBondContact OD1-CG1 3.37Å; A314-I428 HydrophobicContact CB-CD1 4.17Å; A314-I428 HydrophobicContact CB-CG2 4.48Å; L420-I428 HydrophobicContact CD1-CD1 3.95Å; W423-I428 HydrophobicContact CB-CD1 4.32Å; W423-I428 HydrophobicContact CD2-CD1 4.36Å; W423-I428 HydrophobicContact CE3-CD1 3.61Å; W423-I428 HydrophobicContact CE3-CG1 4.23Å; W423-I428 HydrophobicContact CZ3-CD1 4.27Å; T424-I428 WeakPolarHBondContact O-CG1 3.42Å; Y425-I428 PolarHBondContact O-N 2.94Å; R426-I428 PolarHBondContact O-N 2.95Å; I428-L432 HydrophobicContact CG2-CD1 4.05Å; I428-L432 VanDerWaalsContact O-CG 3.27Å; I428-L432 WeakPolarHBondContact O-CG 3.3Å; I428-L432 PolarHBondContact O-N 3.39Å
429	W	98.1	Very high	97	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-43.7	179.8	-74.3	118.5	0	0	0	112.5	K310 Y425 R426 F431 L432 R433 Y439 Y443 A476	K310-W429 HydrophobicContact CB-CH2 3.97Å; K310-W429 HydrophobicContact CB-CZ2 4.15Å; K310-W429 HydrophobicContact CD-CH2 4.08Å; K310-W429 HydrophobicContact CD-CZ2 3.36Å; K310-W429 HydrophobicContact CG-CZ2 4.34Å; Y425-W429 AromaticContact CD1-CD1 3.65Å; Y425-W429 AromaticContact CD1-NE1 3.94Å; Y425-W429 AromaticContact CE1-CD1 3.29Å; Y425-W429 AromaticContact CE1-NE1 3.26Å; Y425-W429 VanDerWaalsContact CE1-NE1 3.26Å; Y425-W429 AromaticContact CE2-NE1 3.38Å; Y425-W429 AromaticContact CZ-CD1 3.56Å; Y425-W429 AromaticContact CZ-NE1 2.96Å; Y425-W429 VanDerWaalsContact O-CD1 3.3Å; Y425-W429 PolarHBondContact O-N 3.48Å; Y425-W429 PolarHBondContact OH-NE1 3.27Å; Y425-W429 VanDerWaalsContact OH-NE1 3.07Å; R426-W429 PolarHBondContact O-N 2.71Å; R426-W429 VanDerWaalsContact O-N 3.1Å; W429-F431 VanDerWaalsContact C-N 3.3Å; W429-F431 PolarHBondContact O-N 2.69Å; W429-L432 HydrophobicContact CE3-CD1 4.14Å; W429-L432 HydrophobicContact CZ3-CD1 4.06Å; W429-L432 PolarHBondContact O-N 2.8Å; W429-R433 WeakPolarHBondContact O-CB 3.36Å; W429-R433 VanDerWaalsContact O-CG 3.26Å; W429-R433 WeakPolarHBondContact O-CG 3.46Å; W429-R433 PolarHBondContact O-N 2.89Å; W429-Y439 HydrophobicContact CH2-CD2 4.22Å; W429-Y439 HydrophobicContact CH2-CE2 4.36Å; W429-Y439 HydrophobicContact CZ3-CD1 4.01Å; W429-Y439 AromaticContact CZ3-CD2 3.93Å; W429-Y439 HydrophobicContact CZ3-CD2 3.93Å; W429-Y439 HydrophobicContact CZ3-CE1 4.03Å; W429-Y439 AromaticContact CZ3-CE2 3.95Å; W429-Y439 HydrophobicContact CZ3-CE2 3.95Å; W429-Y439 AromaticContact CZ3-CG 3.97Å; W429-Y439 HydrophobicContact CZ3-CG 3.97Å; W429-Y443 VanDerWaalsContact CH2-CB 3.49Å; W429-Y443 AromaticContact CH2-CD1 3.68Å; W429-Y443 HydrophobicContact CH2-CD1 3.68Å; W429-Y443 AromaticContact CH2-CD2 3.88Å; W429-Y443 HydrophobicContact CH2-CD2 3.88Å; W429-Y443 HydrophobicContact CH2-CE1 4.39Å; W429-Y443 AromaticContact CH2-CG 3.42Å; W429-Y443 HydrophobicContact CH2-CG 3.42Å; W429-Y443 VanDerWaalsContact CH2-CG 3.42Å; W429-Y443 AromaticContact CZ2-CD1 3.62Å; W429-Y443 HydrophobicContact CZ2-CD1 3.62Å; W429-Y443 HydrophobicContact CZ2-CE1 4.21Å; W429-Y443 AromaticContact CZ2-CG 3.88Å; W429-Y443 HydrophobicContact CZ2-CG 3.88Å; W429-A476 HydrophobicContact CH2-CB 4.16Å; W429-A476 HydrophobicContact CZ2-CB 3.48Å; W429-A476 VanDerWaalsContact CZ2-CB 3.48Å
430	D	97.8	Very high	96.9	Very high	76 Å²	76	29.2 Å²	29.2	41%	0.406	14%	0.139	S	C	.	.	H	α-helix	trans	-60.1	-43.4	178.1	-71.1	-8.9	0	0	0	110.1	L279 R426 Q434	L279-D430 HydrophobicContact CD2-CB 3.85Å; R426-D430 WeakPolarHBondContact CG-OD2 3.48Å; R426-D430 WeakPolarHBondContact O-CB 3.33Å; R426-D430 PolarHBondContact O-N 3.11Å; D430-Q434 WeakPolarHBondContact O-CB 3.36Å; D430-Q434 PolarHBondContact O-N 3.23Å
431	F	98.4	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-54.4	174.4	177.7	-99.2	0	0	0	112.9	V269 L272 L279 V283 A314 H317 L318 W423 D427 W429 R433 L435	V269-F431 HydrophobicContact CG2-CE2 4.28Å; V269-F431 HydrophobicContact CG2-CZ 4.12Å; L272-F431 HydrophobicContact CD2-CD2 3.97Å; L272-F431 HydrophobicContact CD2-CE2 4.38Å; L279-F431 HydrophobicContact CD1-CB 4.35Å; L279-F431 HydrophobicContact CD2-CB 4.42Å; V283-F431 HydrophobicContact CG2-CD2 3.74Å; V283-F431 HydrophobicContact CG2-CE2 3.98Å; A314-F431 HydrophobicContact CB-CD1 3.8Å; A314-F431 HydrophobicContact CB-CE1 4.06Å; H317-F431 HydrophobicContact CB-CE1 4.32Å; H317-F431 AromaticContact CD2-CE1 4Å; H317-F431 AromaticContact CD2-CZ 3.81Å; L318-F431 HydrophobicContact CD1-CZ 4.41Å; L318-F431 HydrophobicContact CD2-CE2 3.63Å; L318-F431 HydrophobicContact CD2-CZ 3.55Å; L318-F431 HydrophobicContact CG-CE1 4.2Å; L318-F431 HydrophobicContact CG-CE2 4.14Å; L318-F431 HydrophobicContact CG-CZ 3.61Å; W423-F431 HydrophobicContact CH2-CB 3.96Å; W423-F431 HydrophobicContact CH2-CD1 4.3Å; W423-F431 AromaticContact CH2-CD2 3.72Å; W423-F431 HydrophobicContact CH2-CD2 3.72Å; W423-F431 HydrophobicContact CH2-CE2 4.26Å; W423-F431 AromaticContact CH2-CG 3.73Å; W423-F431 HydrophobicContact CH2-CG 3.73Å; W423-F431 HydrophobicContact CZ3-CB 3.54Å; W423-F431 HydrophobicContact CZ3-CD1 4.23Å; W423-F431 HydrophobicContact CZ3-CD2 4.19Å; W423-F431 AromaticContact CZ3-CG 3.74Å; W423-F431 HydrophobicContact CZ3-CG 3.74Å; D427-F431 VanDerWaalsContact O-CB 3.25Å; D427-F431 WeakPolarHBondContact O-CB 3.41Å; D427-F431 PolarHBondContact O-N 2.93Å; W429-F431 VanDerWaalsContact C-N 3.3Å; W429-F431 PolarHBondContact O-N 2.69Å; F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 3.13Å; F431-L435 HydrophobicContact CD2-CD1 3.86Å; F431-L435 HydrophobicContact CE1-CD1 4.44Å; F431-L435 HydrophobicContact CE2-CD1 3.36Å; F431-L435 HydrophobicContact CE2-CG 4.49Å; F431-L435 HydrophobicContact CZ-CD1 3.7Å; F431-L435 WeakPolarHBondContact O-CB 3.26Å; F431-L435 PolarHBondContact O-N 3.22Å; F431-L435 VanDerWaalsContact O-N 3.16Å
432	L	97.9	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-44.3	-178.7	-69.4	173.8	0	0	0	110.7	Y223 K310 T313 A314 I428 W429 F436 V437 Y439	Y223-L432 PolarHBondContact OH-O 3.43Å; K310-L432 HydrophobicContact CB-CD1 3.98Å; T313-L432 HydrophobicContact CG2-CD2 3.98Å; A314-L432 HydrophobicContact CB-CD2 4.11Å; A314-L432 HydrophobicContact CB-CG 4.41Å; I428-L432 HydrophobicContact CG2-CD1 4.05Å; I428-L432 VanDerWaalsContact O-CG 3.27Å; I428-L432 WeakPolarHBondContact O-CG 3.3Å; I428-L432 PolarHBondContact O-N 3.39Å; W429-L432 HydrophobicContact CE3-CD1 4.14Å; W429-L432 HydrophobicContact CZ3-CD1 4.06Å; W429-L432 PolarHBondContact O-N 2.8Å; L432-F436 PolarHBondContact O-N 2.92Å; L432-V437 HydrophobicContact CB-CB 4.45Å; L432-V437 HydrophobicContact CD2-CB 3.67Å; L432-V437 HydrophobicContact CD2-CG1 3.69Å; L432-V437 HydrophobicContact CD2-CG2 4.28Å; L432-V437 PolarHBondContact O-N 3.17Å; L432-Y439 HydrophobicContact CB-CD1 4.48Å
433	R	96.3	Very high	96.7	Very high	57 Å²	57	27 Å²	27	22%	0.215	13%	0.127	C	C	.	.	H	α-helix	trans	-77.8	-37	-173.6	-69.4	-122.3	45	127.4	-17	113.4	N222 W429 F431 L435 F436 Y439	N222-R433 PolarHBondContact O-NH1 3.4Å; W429-R433 WeakPolarHBondContact O-CB 3.36Å; W429-R433 VanDerWaalsContact O-CG 3.26Å; W429-R433 WeakPolarHBondContact O-CG 3.46Å; W429-R433 PolarHBondContact O-N 2.89Å; F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 3.13Å; R433-L435 VanDerWaalsContact C-N 3.31Å; R433-F436 PolarHBondContact O-N 3.33Å; R433-Y439 HydrophobicContact CG-CE1 4.41Å; R433-Y439 PolarHBondContact NH1-OH 2.86Å
434	Q	95.5	Very high	96.6	Very high	107 Å²	107	28.2 Å²	28.2	50%	0.5	13%	0.134	S	C	.	.	H	α-helix	trans	-68.6	-32.7	176.6	-175.2	173.4	-2.2	0	0	111.8	D430	D430-Q434 WeakPolarHBondContact O-CB 3.36Å; D430-Q434 PolarHBondContact O-N 3.23Å
435	L	96.2	Very high	96.5	Very high	15 Å²	15	31 Å²	31	8%	0.079	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.9	178.9	-59.4	-172.7	0	0	0	113.6	A261 A268 V269 L272 F431 R433 V437	A261-L435 WeakPolarHBondContact CB-O 2.99Å; A268-L435 HydrophobicContact CB-CD2 4.13Å; V269-L435 HydrophobicContact CG2-CD1 3.69Å; L272-L435 HydrophobicContact CD2-CD1 4.12Å; L272-L435 HydrophobicContact CD2-CD2 4.21Å; L272-L435 HydrophobicContact CD2-CG 4.18Å; F431-L435 HydrophobicContact CD2-CD1 3.86Å; F431-L435 HydrophobicContact CE1-CD1 4.44Å; F431-L435 HydrophobicContact CE2-CD1 3.36Å; F431-L435 HydrophobicContact CE2-CG 4.49Å; F431-L435 HydrophobicContact CZ-CD1 3.7Å; F431-L435 WeakPolarHBondContact O-CB 3.26Å; F431-L435 PolarHBondContact O-N 3.22Å; F431-L435 VanDerWaalsContact O-N 3.16Å; R433-L435 VanDerWaalsContact C-N 3.31Å; L435-V437 HydrophobicContact CB-CG2 3.86Å; L435-V437 PolarHBondContact O-N 3.44Å; L435-V437 VanDerWaalsContact O-N 3.16Å
436	F	96.1	Very high	96.5	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.096	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	33.2	179.8	-60.8	-76	0	0	0	114.1	Y223 V255 P256 Y257 M258 L432 R433 P438	Y223-F436 AromaticContact CD1-CD1 3.38Å; Y223-F436 HydrophobicContact CD1-CD1 3.38Å; Y223-F436 AromaticContact CD1-CE1 3.95Å; Y223-F436 HydrophobicContact CD1-CE1 3.95Å; Y223-F436 HydrophobicContact CD1-CG 4.45Å; Y223-F436 HydrophobicContact CE1-CB 4.46Å; Y223-F436 AromaticContact CE1-CD1 3.75Å; Y223-F436 HydrophobicContact CE1-CD1 3.75Å; Y223-F436 HydrophobicContact CE1-CE1 4.5Å; Y223-F436 AromaticContact CG-CD1 3.89Å; Y223-F436 HydrophobicContact CG-CD1 3.89Å; V255-F436 HydrophobicContact CG1-CE1 4.09Å; P256-F436 HydrophobicContact CG-CZ 4.36Å; P256-F436 WeakPolarHBondContact O-CE2 3.22Å; P256-F436 WeakPolarHBondContact O-CZ 3.39Å; Y257-F436 HydrophobicContact CD2-CB 4.04Å; Y257-F436 AromaticContact CD2-CD1 3.42Å; Y257-F436 HydrophobicContact CD2-CD1 3.42Å; Y257-F436 VanDerWaalsContact CD2-CD1 3.42Å; Y257-F436 HydrophobicContact CD2-CE1 4.05Å; Y257-F436 AromaticContact CD2-CG 3.87Å; Y257-F436 HydrophobicContact CD2-CG 3.87Å; Y257-F436 HydrophobicContact CE2-CB 3.87Å; Y257-F436 HydrophobicContact CE2-CD1 4.02Å; Y257-F436 HydrophobicContact CE2-CG 4.23Å; Y257-F436 HydrophobicContact CG-CD1 4.38Å; M258-F436 HydrophobicContact CB-CD2 3.83Å; M258-F436 HydrophobicContact CB-CE2 4.43Å; M258-F436 HydrophobicContact CG-CD2 4.15Å; M258-F436 HydrophobicContact CG-CE2 4.3Å; L432-F436 PolarHBondContact O-N 2.92Å; R433-F436 PolarHBondContact O-N 3.33Å; F436-P438 WeakPolarHBondContact O-CD 3.18Å
437	V	96.6	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.			trans	-71.3	121.6	-179.4	-175	0	0	0	0	109.1	Y223 T313 H317 L432 L435 Y439	Y223-V437 PolarHBondContact OH-N 2.88Å; Y223-V437 PolarHBondContact OH-O 2.98Å; T313-V437 HydrophobicContact CG2-CG1 3.92Å; H317-V437 HydrophobicContact CB-CG1 4.25Å; H317-V437 HydrophobicContact CB-CG2 4.48Å; H317-V437 VanDerWaalsContact CD2-CG2 3.46Å; H317-V437 WeakPolarHBondContact CD2-CG2 3.36Å; L432-V437 HydrophobicContact CB-CB 4.45Å; L432-V437 HydrophobicContact CD2-CB 3.67Å; L432-V437 HydrophobicContact CD2-CG1 3.69Å; L432-V437 HydrophobicContact CD2-CG2 4.28Å; L432-V437 PolarHBondContact O-N 3.17Å; L435-V437 HydrophobicContact CB-CG2 3.86Å; L435-V437 PolarHBondContact O-N 3.44Å; L435-V437 VanDerWaalsContact O-N 3.16Å; V437-Y439 WeakPolarHBondContact O-CD1 3.39Å; V437-Y439 PolarHBondContact O-N 2.96Å
438	P	95	Very high	96.3	Very high	23 Å²	23	25.4 Å²	25.4	15%	0.149	12%	0.116	C	C	.	.			trans	-59.7	138	177.2	-25	35.6	0	0	0	111.8	T313 F351 F436	T313-P438 WeakPolarHBondContact CG2-O 3.34Å; F351-P438 WeakPolarHBondContact CE2-O 3.32Å; F351-P438 WeakPolarHBondContact CZ-O 3.15Å; F436-P438 WeakPolarHBondContact O-CD 3.18Å
439	Y	96.4	Very high	96.1	Very high	2 Å²	2	26 Å²	26	1%	0.008	12%	0.12	C	C	.	.			trans	-136.1	162.9	178.3	59.2	-101.9	0	0	0	111.5	N222 Y223 F351 W429 L432 R433 V437 I441 Y443 D444 Y477	N222-Y439 HydrophobicContact CB-CD1 4.36Å; N222-Y439 HydrophobicContact CB-CE1 3.8Å; N222-Y439 HydrophobicContact CB-CE2 4.04Å; N222-Y439 WeakPolarHBondContact ND2-CD2 3.5Å; N222-Y439 WeakPolarHBondContact ND2-CE2 3.38Å; N222-Y439 PolarHBondContact ND2-O 3.39Å; N222-Y439 PolarHBondContact OD1-N 3.04Å; N222-Y439 PolarHBondContact OD1-O 3.36Å; N222-Y439 VanDerWaalsContact OD1-O 3.1Å; Y223-Y439 AromaticContact CZ-CE1 3.95Å; Y223-Y439 WeakPolarHBondContact OH-CE1 3.48Å; F351-Y439 VanDerWaalsContact CE2-C 3.43Å; F351-Y439 VanDerWaalsContact CE2-CA 3.44Å; W429-Y439 HydrophobicContact CH2-CD2 4.22Å; W429-Y439 HydrophobicContact CH2-CE2 4.36Å; W429-Y439 HydrophobicContact CZ3-CD1 4.01Å; W429-Y439 AromaticContact CZ3-CD2 3.93Å; W429-Y439 HydrophobicContact CZ3-CD2 3.93Å; W429-Y439 HydrophobicContact CZ3-CE1 4.03Å; W429-Y439 AromaticContact CZ3-CE2 3.95Å; W429-Y439 HydrophobicContact CZ3-CE2 3.95Å; W429-Y439 AromaticContact CZ3-CG 3.97Å; W429-Y439 HydrophobicContact CZ3-CG 3.97Å; L432-Y439 HydrophobicContact CB-CD1 4.48Å; R433-Y439 HydrophobicContact CG-CE1 4.41Å; R433-Y439 PolarHBondContact NH1-OH 2.86Å; V437-Y439 WeakPolarHBondContact O-CD1 3.39Å; V437-Y439 PolarHBondContact O-N 2.96Å; Y439-I441 PolarHBondContact O-N 2.99Å; Y439-Y443 HydrophobicContact CD2-CD2 4.17Å; Y439-D444 WeakPolarHBondContact CE2-OD1 3.48Å; Y439-D444 WeakPolarHBondContact CE2-OD2 3.39Å; Y439-D444 PolarHBondContact OH-OD1 3.11Å; Y439-Y477 WeakPolarHBondContact OH-CE1 3.17Å
440	C	96	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.			trans	-57.7	126.8	-177.1	-176.6	0	0	0	0	112.2	L348 F351 L442 Y443 L450	L348-C440 HydrophobicContact CD1-CB 4.12Å; F351-C440 HydrophobicContact CB-CB 4.23Å; F351-C440 HydrophobicContact CD1-CB 3.89Å; F351-C440 HydrophobicContact CE1-CB 4.44Å; F351-C440 HydrophobicContact CG-CB 3.95Å; C440-L442 PolarHBondContact O-N 3.22Å; C440-Y443 HydrophobicContact CB-CD2 4Å; C440-Y443 HydrophobicContact CB-CE2 4.03Å; C440-Y443 VanDerWaalsContact O-CD2 3.22Å; C440-Y443 WeakPolarHBondContact O-CD2 3.33Å; C440-Y443 PolarHBondContact O-N 3.24Å; C440-L450 HydrophobicContact CB-CD1 4.17Å
441	I	95	Very high	95.1	Very high	39 Å²	39	23.7 Å²	23.7	20%	0.2	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.5	-175.5	-161.7	64.5	0	0	0	114.2	E347 Y439 Y443 D444 R445	E347-I441 HydrophobicContact CB-CG2 4.01Å; E347-I441 HydrophobicContact CG-CG2 4.11Å; Y439-I441 PolarHBondContact O-N 2.99Å; I441-Y443 PolarHBondContact O-N 3.42Å; I441-D444 HydrophobicContact CD1-CB 4.24Å; I441-D444 PolarHBondContact O-N 2.62Å; I441-R445 PolarHBondContact O-N 3.25Å
442	L	95.4	Very high	94.5	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.8	174.7	-65.8	176.2	0	0	0	111.8	F345 E347 C440 D444 R445 G446 Y447 L450	F345-L442 HydrophobicContact CB-CD1 3.58Å; F345-L442 HydrophobicContact CD1-CD1 3.69Å; F345-L442 HydrophobicContact CD1-CD2 4.29Å; F345-L442 HydrophobicContact CD2-CD1 4.05Å; F345-L442 HydrophobicContact CE1-CD1 4.38Å; F345-L442 HydrophobicContact CG-CD1 3.5Å; E347-L442 HydrophobicContact CB-CD1 4.36Å; E347-L442 HydrophobicContact CB-CD2 4.13Å; E347-L442 HydrophobicContact CB-CG 4Å; E347-L442 HydrophobicContact CG-CD2 4.25Å; C440-L442 PolarHBondContact O-N 3.22Å; L442-D444 VanDerWaalsContact C-N 3.29Å; L442-D444 PolarHBondContact O-N 3.01Å; L442-R445 CarbonylContact O-C 3.56Å; L442-R445 WeakPolarHBondContact O-CA 3.33Å; L442-R445 WeakPolarHBondContact O-CB 3.34Å; L442-R445 PolarHBondContact O-N 3.45Å; L442-G446 PolarHBondContact O-N 3.1Å; L442-Y447 HydrophobicContact CB-CD2 3.86Å; L442-Y447 HydrophobicContact CB-CG 4.32Å; L442-Y447 HydrophobicContact CD2-CD2 4.16Å; L442-Y447 HydrophobicContact CD2-CE2 3.99Å; L442-Y447 VanDerWaalsContact O-CD2 3.3Å; L442-Y447 WeakPolarHBondContact O-CD2 3.42Å; L442-Y447 PolarHBondContact O-N 3.32Å; L442-L450 HydrophobicContact CB-CD1 4.38Å; L442-L450 HydrophobicContact CB-CD2 3.97Å; L442-L450 HydrophobicContact CD1-CD1 4.31Å; L442-L450 HydrophobicContact CD1-CD2 3.89Å
443	Y	97.1	Very high	94.1	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.016	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-63.3	-36.8	175.8	-67.3	-70.1	0	0	0	112.1	G309 K310 W429 Y439 C440 I441 R445 G446 Y447 L450 P475 A476	G309-Y443 WeakPolarHBondContact CA-OH 3.38Å; K310-Y443 HydrophobicContact CB-CE1 4.41Å; K310-Y443 HydrophobicContact CB-CE2 4.05Å; K310-Y443 HydrophobicContact CD-CE1 4.17Å; K310-Y443 HydrophobicContact CG-CE1 4.36Å; K310-Y443 PolarHBondContact N-OH 2.8Å; K310-Y443 VanDerWaalsContact N-OH 3.13Å; W429-Y443 VanDerWaalsContact CH2-CB 3.49Å; W429-Y443 AromaticContact CH2-CD1 3.68Å; W429-Y443 HydrophobicContact CH2-CD1 3.68Å; W429-Y443 AromaticContact CH2-CD2 3.88Å; W429-Y443 HydrophobicContact CH2-CD2 3.88Å; W429-Y443 HydrophobicContact CH2-CE1 4.39Å; W429-Y443 AromaticContact CH2-CG 3.42Å; W429-Y443 HydrophobicContact CH2-CG 3.42Å; W429-Y443 VanDerWaalsContact CH2-CG 3.42Å; W429-Y443 AromaticContact CZ2-CD1 3.62Å; W429-Y443 HydrophobicContact CZ2-CD1 3.62Å; W429-Y443 HydrophobicContact CZ2-CE1 4.21Å; W429-Y443 AromaticContact CZ2-CG 3.88Å; W429-Y443 HydrophobicContact CZ2-CG 3.88Å; Y439-Y443 HydrophobicContact CD2-CD2 4.17Å; C440-Y443 HydrophobicContact CB-CD2 4Å; C440-Y443 HydrophobicContact CB-CE2 4.03Å; C440-Y443 VanDerWaalsContact O-CD2 3.22Å; C440-Y443 WeakPolarHBondContact O-CD2 3.33Å; C440-Y443 PolarHBondContact O-N 3.24Å; I441-Y443 PolarHBondContact O-N 3.42Å; Y443-R445 PolarHBondContact O-N 2.88Å; Y443-G446 PolarHBondContact O-N 3.47Å; Y443-Y447 WeakPolarHBondContact CA-O 3.4Å; Y443-Y447 WeakPolarHBondContact CD1-O 3.13Å; Y443-L450 HydrophobicContact CD2-CD1 4.24Å; Y443-L450 HydrophobicContact CE1-CD1 4.23Å; Y443-L450 HydrophobicContact CE1-CG 4.01Å; Y443-L450 HydrophobicContact CE2-CD1 3.51Å; Y443-L450 HydrophobicContact CE2-CG 4.19Å; Y443-L450 VanDerWaalsContact CZ-CD1 3.48Å; Y443-L450 WeakPolarHBondContact OH-CD1 3.2Å; Y443-L450 WeakPolarHBondContact OH-CG 3.49Å; Y443-P475 CarbonylContact O-C 3.5Å; Y443-P475 WeakPolarHBondContact O-CA 3.47Å; Y443-A476 HydrophobicContact CD1-CB 3.88Å; Y443-A476 HydrophobicContact CG-CB 4.35Å; Y443-A476 WeakPolarHBondContact O-CB 3.38Å; Y443-A476 PolarHBondContact O-N 2.83Å
444	D	95.1	Very high	93.7	Very high	31 Å²	31	34.9 Å²	34.9	17%	0.166	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-71.1	-17.1	174.5	-63	-35.4	0	0	0	112.6	N222 Y439 I441 L442	N222-D444 PolarHBondContact ND2-OD2 3.22Å; Y439-D444 WeakPolarHBondContact CE2-OD1 3.48Å; Y439-D444 WeakPolarHBondContact CE2-OD2 3.39Å; Y439-D444 PolarHBondContact OH-OD1 3.11Å; I441-D444 HydrophobicContact CD1-CB 4.24Å; I441-D444 PolarHBondContact O-N 2.62Å; L442-D444 VanDerWaalsContact C-N 3.29Å; L442-D444 PolarHBondContact O-N 3.01Å
445	R	94.2	Very high	93.4	Very high	115 Å²	115	32.7 Å²	32.7	43%	0.434	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-92.4	9.2	175.5	-59.5	177.6	-176.3	176.3	3.3	113.1	E347 I441 L442 Y443 Y447 R458	E347-R445 IonicContact OE1-CZ 3.93Å; E347-R445 IonicContact OE1-NH1 3.78Å; E347-R445 PolarHBondContact OE1-NH1 3.02Å; I441-R445 PolarHBondContact O-N 3.25Å; L442-R445 CarbonylContact O-C 3.56Å; L442-R445 WeakPolarHBondContact O-CA 3.33Å; L442-R445 WeakPolarHBondContact O-CB 3.34Å; L442-R445 PolarHBondContact O-N 3.45Å; Y443-R445 PolarHBondContact O-N 2.88Å; R445-Y447 HydrophobicContact CB-CD2 4.39Å; R445-R458 WeakPolarHBondContact O-CD 3.4Å
446	G	95.6	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	14.1	173.2	0	0	0	0	0	115.9	L442 Y443 N459 R474	L442-G446 PolarHBondContact O-N 3.1Å; Y443-G446 PolarHBondContact O-N 3.47Å; G446-N459 PolarHBondContact O-N 2.81Å; G446-R474 VanDerWaalsContact CA-O 3.29Å; G446-R474 WeakPolarHBondContact CA-O 3.49Å
447	Y	96.3	Very high	93	Very high	35 Å²	35	34 Å²	34	14%	0.137	17%	0.165	C	C	.	.			trans	-81.9	135	166	-66.5	-89.1	0	0	0	109.4	F345 L442 Y443 R445 L450 T456 V457 R458 A476	F345-Y447 HydrophobicContact CE1-CE1 4.27Å; F345-Y447 HydrophobicContact CZ-CE1 4.08Å; L442-Y447 HydrophobicContact CB-CD2 3.86Å; L442-Y447 HydrophobicContact CB-CG 4.32Å; L442-Y447 HydrophobicContact CD2-CD2 4.16Å; L442-Y447 HydrophobicContact CD2-CE2 3.99Å; L442-Y447 VanDerWaalsContact O-CD2 3.3Å; L442-Y447 WeakPolarHBondContact O-CD2 3.42Å; L442-Y447 PolarHBondContact O-N 3.32Å; Y443-Y447 WeakPolarHBondContact CA-O 3.4Å; Y443-Y447 WeakPolarHBondContact CD1-O 3.13Å; R445-Y447 HydrophobicContact CB-CD2 4.39Å; Y447-L450 HydrophobicContact CD1-CD2 4.41Å; Y447-L450 HydrophobicContact CG-CD2 4.14Å; Y447-T456 HydrophobicContact CD1-CG2 3.68Å; Y447-T456 HydrophobicContact CE1-CG2 4.03Å; Y447-V457 WeakPolarHBondContact CD1-O 3.48Å; Y447-R458 HydrophobicContact CD1-CG 4.24Å; Y447-R458 HydrophobicContact CD2-CG 3.94Å; Y447-R458 HydrophobicContact CE1-CG 3.94Å; Y447-R458 HydrophobicContact CE2-CG 3.61Å; Y447-R458 HydrophobicContact CG-CG 4.27Å; Y447-A476 VanDerWaalsContact O-CB 3.29Å; Y447-A476 WeakPolarHBondContact O-CB 3.49Å
448	T	95.8	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-112.3	-18.7	-178.8	52	0	0	0	0	113	N459 L462 A476 L479 E485 S488	T448-N459 HydrophobicContact CG2-CB 3.72Å; T448-N459 PolarHBondContact OG1-ND2 3.22Å; T448-L462 HydrophobicContact CG2-CD1 3.48Å; T448-L462 VanDerWaalsContact CG2-CD1 3.48Å; T448-A476 HydrophobicContact CG2-CB 4.1Å; T448-L479 HydrophobicContact CG2-CD2 4.1Å; T448-E485 PolarHBondContact OG1-O 3.45Å; T448-S488 PolarHBondContact OG1-OG 2.98Å
449	S	92.4	Very high	93	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	18%	0.178	C	C	.	.	S	Bend	trans	-142.1	125.9	175.3	-170.3	0	0	0	0	109.3	T456 S488 R489	S449-T456 VanDerWaalsContact O-CG2 3.26Å; S449-T456 WeakPolarHBondContact O-CG2 3.37Å; S449-S488 WeakPolarHBondContact CB-OG 3.42Å; S449-S488 PolarHBondContact N-OG 3.09Å; S449-R489 PolarHBondContact O-NE 2.55Å; S449-R489 PolarHBondContact OG-NE 3.31Å; S449-R489 PolarHBondContact OG-NH2 3.4Å
450	L	90.8	Very high	92.9	Very high	16 Å²	16	42 Å²	42	8%	0.084	20%	0.203	C	C	.	.			trans	-105.6	128.3	-175.8	-61.6	-179.8	0	0	0	112.3	L348 C440 L442 Y443 Y447 T456 R489	L348-L450 HydrophobicContact CD1-CD1 3.99Å; C440-L450 HydrophobicContact CB-CD1 4.17Å; L442-L450 HydrophobicContact CB-CD1 4.38Å; L442-L450 HydrophobicContact CB-CD2 3.97Å; L442-L450 HydrophobicContact CD1-CD1 4.31Å; L442-L450 HydrophobicContact CD1-CD2 3.89Å; Y443-L450 HydrophobicContact CD2-CD1 4.24Å; Y443-L450 HydrophobicContact CE1-CD1 4.23Å; Y443-L450 HydrophobicContact CE1-CG 4.01Å; Y443-L450 HydrophobicContact CE2-CD1 3.51Å; Y443-L450 HydrophobicContact CE2-CG 4.19Å; Y443-L450 VanDerWaalsContact CZ-CD1 3.48Å; Y443-L450 WeakPolarHBondContact OH-CD1 3.2Å; Y443-L450 WeakPolarHBondContact OH-CG 3.49Å; Y447-L450 HydrophobicContact CD1-CD2 4.41Å; Y447-L450 HydrophobicContact CG-CD2 4.14Å; L450-T456 HydrophobicContact CD2-CG2 4.43Å; L450-R489 VanDerWaalsContact C-CZ 3.46Å; L450-R489 PolarHBondContact O-NH2 3.34Å
451	G	85.4	Confident	92.9	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	22%	0.217	C	C	.	.			trans	-141	-129.6	163.7	0	0	0	0	0	109.8	T456 R489	G451-T456 PolarHBondContact N-OG1 3.27Å; G451-T456 VanDerWaalsContact N-OG1 3.14Å; G451-R489 VanDerWaalsContact N-CZ 3.34Å
452	S	86.3	Confident	93	Very high	11 Å²	11	41.9 Å²	41.9	8%	0.077	21%	0.207	C	C	.	.			trans	-75.8	155	180	66.8	0	0	0	0	111.3	I342 E454 N455 T456	I342-S452 WeakPolarHBondContact O-CB 3.37Å; S452-E454 PolarHBondContact O-N 2.8Å; S452-E454 VanDerWaalsContact O-N 3.16Å; S452-N455 PolarHBondContact N-OD1 3.07Å; S452-N455 VanDerWaalsContact N-OD1 3.17Å; S452-N455 PolarHBondContact O-N 3.4Å; S452-N455 PolarHBondContact O-OD1 2.9Å; S452-N455 VanDerWaalsContact O-OD1 3.05Å; S452-N455 PolarHBondContact OG-ND2 3.35Å; S452-N455 PolarHBondContact OG-OD1 2.9Å; S452-T456 WeakPolarHBondContact O-CB 3.21Å; S452-T456 PolarHBondContact O-N 2.75Å; S452-T456 PolarHBondContact O-OG1 3.43Å
453	R	89.3	Confident	92.9	Very high	139 Å²	139	47.7 Å²	47.7	53%	0.525	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26	174.2	-71.5	175.8	63.7	-170.9	-1.7	113.3	S343 P344 F345	S343-R453 WeakPolarHBondContact O-CB 3.37Å; S343-R453 WeakPolarHBondContact O-CG 3.38Å; S343-R453 PolarHBondContact O-N 2.91Å; P344-R453 WeakPolarHBondContact O-CD 3.44Å; F345-R453 HydrophobicContact CB-CG 4.37Å; F345-R453 HydrophobicContact CD1-CG 3.74Å; F345-R453 HydrophobicContact CD2-CG 3.8Å; F345-R453 HydrophobicContact CE1-CG 3.89Å; F345-R453 HydrophobicContact CE2-CB 4.43Å; F345-R453 HydrophobicContact CE2-CG 3.94Å; F345-R453 HydrophobicContact CG-CG 3.69Å; F345-R453 HydrophobicContact CZ-CB 4.35Å; F345-R453 HydrophobicContact CZ-CG 3.98Å
454	E	88	Confident	92.7	Very high	142 Å²	142	49.5 Å²	49.5	66%	0.664	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-27.2	-176.6	-63.3	176.2	-177.6	0	0	112.6	S452	S452-E454 PolarHBondContact O-N 2.8Å; S452-E454 VanDerWaalsContact O-N 3.16Å
455	N	87.9	Confident	92.5	Very high	60 Å²	60	53.8 Å²	53.8	32%	0.321	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	8.8	-173.3	73.5	10	0	0	0	114.6	S452 R489 T490	S452-N455 PolarHBondContact N-OD1 3.07Å; S452-N455 VanDerWaalsContact N-OD1 3.17Å; S452-N455 PolarHBondContact O-N 3.4Å; S452-N455 PolarHBondContact O-OD1 2.9Å; S452-N455 VanDerWaalsContact O-OD1 3.05Å; S452-N455 PolarHBondContact OG-ND2 3.35Å; S452-N455 PolarHBondContact OG-OD1 2.9Å; N455-R489 WeakPolarHBondContact O-CA 3.35Å; N455-R489 PolarHBondContact OD1-NH1 2.85Å; N455-T490 WeakPolarHBondContact CA-OG1 3.39Å; N455-T490 PolarHBondContact O-N 3.38Å; N455-T490 VanDerWaalsContact O-N 3.12Å
456	T	91.7	Very high	92.1	Very high	6 Å²	6	50 Å²	50	4%	0.037	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-122.8	121.2	-172.6	-55.9	0	0	0	0	110.3	F345 Y447 S449 L450 G451 S452 S488 R489	F345-T456 HydrophobicContact CE2-CG2 3.98Å; F345-T456 HydrophobicContact CZ-CG2 4.03Å; Y447-T456 HydrophobicContact CD1-CG2 3.68Å; Y447-T456 HydrophobicContact CE1-CG2 4.03Å; S449-T456 VanDerWaalsContact O-CG2 3.26Å; S449-T456 WeakPolarHBondContact O-CG2 3.37Å; L450-T456 HydrophobicContact CD2-CG2 4.43Å; G451-T456 PolarHBondContact N-OG1 3.27Å; G451-T456 VanDerWaalsContact N-OG1 3.14Å; S452-T456 WeakPolarHBondContact O-CB 3.21Å; S452-T456 PolarHBondContact O-N 2.75Å; S452-T456 PolarHBondContact O-OG1 3.43Å; T456-S488 WeakPolarHBondContact CA-O 3.46Å; T456-R489 PolarHBondContact OG1-NH1 2.97Å; T456-R489 VanDerWaalsContact OG1-NH1 3.14Å
457	V	93.7	Very high	91.2	Very high	60 Å²	60	57.1 Å²	57.1	36%	0.364	30%	0.304	S	S	.	.			trans	-122	162.8	177.4	-62.7	0	0	0	0	111	Y447 S488 T490	Y447-V457 WeakPolarHBondContact CD1-O 3.48Å; V457-S488 PolarHBondContact N-O 2.89Å; V457-S488 WeakPolarHBondContact O-CA 3.39Å; V457-S488 WeakPolarHBondContact O-CB 3.48Å; V457-T490 HydrophobicContact CG1-CG2 3.87Å; V457-T490 HydrophobicContact CG2-CG2 4.24Å
458	R	95.4	Very high	90.4	Very high	111 Å²	111	58.1 Å²	58.1	42%	0.419	33%	0.326	S	S	.	.			trans	-66.9	142.8	173.6	-65.7	-179.4	-116.5	-171	-4	110.2	R445 Y447 P460 Y473	R445-R458 WeakPolarHBondContact O-CD 3.4Å; Y447-R458 HydrophobicContact CD1-CG 4.24Å; Y447-R458 HydrophobicContact CD2-CG 3.94Å; Y447-R458 HydrophobicContact CE1-CG 3.94Å; Y447-R458 HydrophobicContact CE2-CG 3.61Å; Y447-R458 HydrophobicContact CG-CG 4.27Å; R458-P460 WeakPolarHBondContact O-CD 3.36Å; R458-Y473 HydrophobicContact CB-CD1 3.76Å; R458-Y473 HydrophobicContact CB-CD2 4.4Å; R458-Y473 HydrophobicContact CB-CE1 3.55Å; R458-Y473 HydrophobicContact CB-CE2 4.24Å; R458-Y473 HydrophobicContact CB-CG 4.19Å
459	N	95.9	Very high	89.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	35%	0.348	C	S	.	.			trans	-68.9	121	-177.2	-167	-40	0	0	0	110.8	G446 T448 A461 L462 Y473 E484	G446-N459 PolarHBondContact O-N 2.81Å; T448-N459 HydrophobicContact CG2-CB 3.72Å; T448-N459 PolarHBondContact OG1-ND2 3.22Å; N459-A461 PolarHBondContact O-N 3.28Å; N459-A461 WeakPolarHBondContact OD1-CB 3.48Å; N459-A461 PolarHBondContact OD1-N 3.2Å; N459-L462 HydrophobicContact CB-CD1 4.07Å; N459-L462 HydrophobicContact CB-CG 4.25Å; N459-L462 PolarHBondContact O-N 2.99Å; N459-L462 VanDerWaalsContact O-N 3.1Å; N459-Y473 WeakPolarHBondContact O-CD1 3.32Å; N459-Y473 WeakPolarHBondContact O-CE1 3.37Å; N459-E484 PolarHBondContact ND2-O 3.33Å
460	P	94.6	Very high	89.7	Confident	81 Å²	81	66.1 Å²	66.1	53%	0.526	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-57.4	-31	-179.9	-25.9	35.4	0	0	0	114.5	R458 L462 K463	R458-P460 WeakPolarHBondContact O-CD 3.36Å; P460-L462 PolarHBondContact O-N 2.87Å; P460-K463 WeakPolarHBondContact O-CB 3.48Å; P460-K463 PolarHBondContact O-N 3.26Å; P460-K463 VanDerWaalsContact O-N 3.1Å
461	A	95.4	Very high	89.6	Confident	36 Å²	36	69.3 Å²	69.3	30%	0.298	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-67.2	-19.1	179.9	0	0	0	0	0	113.6	N459 R474 L479 E484	N459-A461 PolarHBondContact O-N 3.28Å; N459-A461 WeakPolarHBondContact OD1-CB 3.48Å; N459-A461 PolarHBondContact OD1-N 3.2Å; A461-R474 PolarHBondContact O-NH2 3.46Å; A461-L479 HydrophobicContact CB-CD1 3.8Å; A461-E484 WeakPolarHBondContact CB-OE2 3.48Å
462	L	96	Very high	90	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-91.7	-4.4	177.3	-63.9	176.9	0	0	0	112.8	T448 N459 P460 C464 Y473 R474 L479	T448-L462 HydrophobicContact CG2-CD1 3.48Å; T448-L462 VanDerWaalsContact CG2-CD1 3.48Å; N459-L462 HydrophobicContact CB-CD1 4.07Å; N459-L462 HydrophobicContact CB-CG 4.25Å; N459-L462 PolarHBondContact O-N 2.99Å; N459-L462 VanDerWaalsContact O-N 3.1Å; P460-L462 PolarHBondContact O-N 2.87Å; L462-C464 PolarHBondContact O-N 2.88Å; L462-Y473 HydrophobicContact CB-CD1 4.26Å; L462-Y473 CarbonylContact O-C 3.59Å; L462-Y473 WeakPolarHBondContact O-CA 3.33Å; L462-R474 HydrophobicContact CB-CB 4.31Å; L462-R474 HydrophobicContact CD2-CB 4.14Å; L462-R474 PolarHBondContact O-N 2.77Å; L462-L479 HydrophobicContact CD2-CB 4.11Å; L462-L479 HydrophobicContact CD2-CD1 4.14Å; L462-L479 HydrophobicContact CG-CD1 4.15Å
463	K	94.6	Very high	90.4	Very high	123 Å²	123	73.3 Å²	73.3	54%	0.535	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	131.2	-178.3	-168.4	178.2	-178.7	-179.1	0	111	P460 T472 Y473	P460-K463 WeakPolarHBondContact O-CB 3.48Å; P460-K463 PolarHBondContact O-N 3.26Å; P460-K463 VanDerWaalsContact O-N 3.1Å; K463-T472 WeakPolarHBondContact CA-O 3.38Å; K463-Y473 HydrophobicContact CB-CD1 4.25Å; K463-Y473 HydrophobicContact CB-CE1 3.94Å; K463-Y473 HydrophobicContact CG-CE1 4.35Å
464	C	92.8	Very high	90.7	Very high	42 Å²	42	70.5 Å²	70.5	28%	0.284	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-176.6	176.3	61.8	0	0	0	0	110.8	L462 P471 T472 R474	L462-C464 PolarHBondContact O-N 2.88Å; C464-P471 WeakPolarHBondContact O-CA 3.37Å; C464-T472 PolarHBondContact N-O 2.74Å; C464-T472 PolarHBondContact O-N 3.26Å; C464-T472 VanDerWaalsContact O-O 3.08Å; C464-T472 WeakPolarHBondContact SG-CG2 3.47Å; C464-R474 HydrophobicContact CB-CG 4.32Å
465	L	91.1	Very high	91.1	Very high	122 Å²	122	65 Å²	65	64%	0.639	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.2	174.3	-61.8	178	0	0	0	109.6
466	S	85.4	Confident	91.5	Very high	34 Å²	34	62.1 Å²	62.1	24%	0.238	36%	0.36	C	S	.	.			trans	-67.9	165.8	168.4	73.6	0	0	0	0	110.5	G468 G469 H470	S466-G468 PolarHBondContact O-N 3.33Å; S466-G468 PolarHBondContact OG-N 2.99Å; S466-G469 PolarHBondContact O-N 2.95Å; S466-H470 PolarHBondContact N-O 3.3Å; S466-H470 PolarHBondContact OG-N 2.97Å; S466-H470 PolarHBondContact OG-O 3.29Å
467	P	76.1	Confident	91.7	Very high	150 Å²	150	65.7 Å²	65.7	97%	0.974	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.5	173.8	-27.7	35.9	0	0	0	114	G469	P467-G469 VanDerWaalsContact C-N 3.34Å
468	G	80.1	Confident	91.9	Very high	57 Å²	57	66.3 Å²	66.3	59%	0.588	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	7.6	174.7	0	0	0	0	0	115.1	S466 H470	S466-G468 PolarHBondContact O-N 3.33Å; S466-G468 PolarHBondContact OG-N 2.99Å; G468-H470 VanDerWaalsContact C-N 3.32Å; G468-H470 PolarHBondContact O-N 2.81Å
469	G	85.4	Confident	91.9	Very high	46 Å²	46	61.4 Å²	61.4	47%	0.474	36%	0.357	S	S	.	.	S	Bend	trans	78.3	8.1	178.8	0	0	0	0	0	115.2	S466 P467	S466-G469 PolarHBondContact O-N 2.95Å; P467-G469 VanDerWaalsContact C-N 3.34Å
470	H	87.5	Confident	91.7	Very high	134 Å²	134	68 Å²	68	62%	0.62	39%	0.388	S	S	*	.			trans	-85.2	139.7	177.4	-63.1	-69.2	0	0	0	111.2	S466 G468 T472	S466-H470 PolarHBondContact N-O 3.3Å; S466-H470 PolarHBondContact OG-N 2.97Å; S466-H470 PolarHBondContact OG-O 3.29Å; G468-H470 VanDerWaalsContact C-N 3.32Å; G468-H470 PolarHBondContact O-N 2.81Å; H470-T472 PolarHBondContact O-N 2.64Å
471	P	89.4	Confident	91.6	Very high	83 Å²	83	67.2 Å²	67.2	54%	0.539	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	126.5	174.6	-23.7	33.3	0	0	0	111.9	C464	C464-P471 WeakPolarHBondContact O-CA 3.37Å
472	T	93.4	Very high	91.2	Very high	56 Å²	56	68.3 Å²	68.3	34%	0.344	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	-175.7	173.9	-166.5	0	0	0	0	109.8	K463 C464 H470	K463-T472 WeakPolarHBondContact CA-O 3.38Å; C464-T472 PolarHBondContact N-O 2.74Å; C464-T472 PolarHBondContact O-N 3.26Å; C464-T472 VanDerWaalsContact O-O 3.08Å; C464-T472 WeakPolarHBondContact SG-CG2 3.47Å; H470-T472 PolarHBondContact O-N 2.64Å
473	Y	95.4	Very high	90.9	Very high	56 Å²	56	76.4 Å²	76.4	22%	0.22	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.7	-179.2	-67.8	-104.1	0	0	0	110.8	R458 N459 L462 K463	R458-Y473 HydrophobicContact CB-CD1 3.76Å; R458-Y473 HydrophobicContact CB-CD2 4.4Å; R458-Y473 HydrophobicContact CB-CE1 3.55Å; R458-Y473 HydrophobicContact CB-CE2 4.24Å; R458-Y473 HydrophobicContact CB-CG 4.19Å; N459-Y473 WeakPolarHBondContact O-CD1 3.32Å; N459-Y473 WeakPolarHBondContact O-CE1 3.37Å; L462-Y473 HydrophobicContact CB-CD1 4.26Å; L462-Y473 CarbonylContact O-C 3.59Å; L462-Y473 WeakPolarHBondContact O-CA 3.33Å; K463-Y473 HydrophobicContact CB-CD1 4.25Å; K463-Y473 HydrophobicContact CB-CE1 3.94Å; K463-Y473 HydrophobicContact CG-CE1 4.35Å
474	R	95.2	Very high	90.7	Very high	81 Å²	81	73.4 Å²	73.4	31%	0.306	40%	0.404	S	S	.	.			trans	-69.1	151.5	168.2	-68.7	-172.3	-71	171	0.9	110.2	G446 A461 L462 C464 L478 E480	G446-R474 VanDerWaalsContact CA-O 3.29Å; G446-R474 WeakPolarHBondContact CA-O 3.49Å; A461-R474 PolarHBondContact O-NH2 3.46Å; L462-R474 HydrophobicContact CB-CB 4.31Å; L462-R474 HydrophobicContact CD2-CB 4.14Å; L462-R474 PolarHBondContact O-N 2.77Å; C464-R474 HydrophobicContact CB-CG 4.32Å; R474-L478 HydrophobicContact CB-CB 4.29Å; R474-L478 HydrophobicContact CB-CD1 4.11Å; R474-L478 HydrophobicContact CG-CD1 4.39Å; R474-E480 IonicContact CZ-OE1 3.91Å; R474-E480 IonicContact NH1-OE1 3.94Å; R474-E480 PolarHBondContact NH1-OE1 3Å; R474-E480 IonicContact NH2-OE1 3.69Å; R474-E480 PolarHBondContact NH2-OE1 2.9Å
475	P	95.7	Very high	90.5	Very high	25 Å²	25	71.9 Å²	71.9	16%	0.162	39%	0.392	C	S	.	.			trans	-56	153.2	170.1	-30.3	37.5	0	0	0	114.1	Y443 Y477 L478	Y443-P475 CarbonylContact O-C 3.5Å; Y443-P475 WeakPolarHBondContact O-CA 3.47Å; P475-Y477 VanDerWaalsContact C-N 3.29Å; P475-Y477 HydrophobicContact CB-CD1 3.64Å; P475-Y477 HydrophobicContact CB-CE1 3.19Å; P475-Y477 HydrophobicContact CB-CE2 4.22Å; P475-Y477 HydrophobicContact CB-CG 4.31Å; P475-Y477 HydrophobicContact CG-CE1 3.88Å; P475-Y477 PolarHBondContact O-N 3.32Å; P475-L478 WeakPolarHBondContact O-CB 3.36Å; P475-L478 PolarHBondContact O-N 3.44Å
476	A	97.1	Very high	90.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-58	-36.7	-177	0	0	0	0	0	113.8	Y425 W429 Y443 Y447 T448 L478 L479	Y425-A476 VanDerWaalsContact OH-C 3.26Å; Y425-A476 PolarHBondContact OH-O 2.93Å; W429-A476 HydrophobicContact CH2-CB 4.16Å; W429-A476 HydrophobicContact CZ2-CB 3.48Å; W429-A476 VanDerWaalsContact CZ2-CB 3.48Å; Y443-A476 HydrophobicContact CD1-CB 3.88Å; Y443-A476 HydrophobicContact CG-CB 4.35Å; Y443-A476 WeakPolarHBondContact O-CB 3.38Å; Y443-A476 PolarHBondContact O-N 2.83Å; Y447-A476 VanDerWaalsContact O-CB 3.29Å; Y447-A476 WeakPolarHBondContact O-CB 3.49Å; T448-A476 HydrophobicContact CG2-CB 4.1Å; A476-L478 PolarHBondContact O-N 2.75Å; A476-L478 VanDerWaalsContact O-N 3.09Å; A476-L479 WeakPolarHBondContact O-CB 3.41Å; A476-L479 PolarHBondContact O-N 3.04Å
477	Y	96.3	Very high	90.4	Very high	82 Å²	82	72.7 Å²	72.7	32%	0.322	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-66	-9.3	178.2	61.6	-101.4	0	0	0	113.4	Y439 P475	Y439-Y477 WeakPolarHBondContact OH-CE1 3.17Å; P475-Y477 VanDerWaalsContact C-N 3.29Å; P475-Y477 HydrophobicContact CB-CD1 3.64Å; P475-Y477 HydrophobicContact CB-CE1 3.19Å; P475-Y477 HydrophobicContact CB-CE2 4.22Å; P475-Y477 HydrophobicContact CB-CG 4.31Å; P475-Y477 HydrophobicContact CG-CE1 3.88Å; P475-Y477 PolarHBondContact O-N 3.32Å
478	L	96.3	Very high	90.7	Very high	72 Å²	72	65.6 Å²	65.6	38%	0.377	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-95.1	10.5	173.4	-59.9	-177.3	0	0	0	113.4	R474 P475 A476 E480	R474-L478 HydrophobicContact CB-CB 4.29Å; R474-L478 HydrophobicContact CB-CD1 4.11Å; R474-L478 HydrophobicContact CG-CD1 4.39Å; P475-L478 WeakPolarHBondContact O-CB 3.36Å; P475-L478 PolarHBondContact O-N 3.44Å; A476-L478 PolarHBondContact O-N 2.75Å; A476-L478 VanDerWaalsContact O-N 3.09Å; L478-E480 PolarHBondContact O-N 3.49Å
479	L	96.1	Very high	90.7	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.042	33%	0.329	C	S	.	.			trans	-69	120	173.9	-173	72.1	0	0	0	109.7	Y425 T448 A461 L462 A476 N481 E485	Y425-L479 HydrophobicContact CE1-CB 3.76Å; Y425-L479 HydrophobicContact CE1-CD2 4.04Å; Y425-L479 HydrophobicContact CE1-CG 4.47Å; Y425-L479 HydrophobicContact CE2-CD2 4.44Å; T448-L479 HydrophobicContact CG2-CD2 4.1Å; A461-L479 HydrophobicContact CB-CD1 3.8Å; L462-L479 HydrophobicContact CD2-CB 4.11Å; L462-L479 HydrophobicContact CD2-CD1 4.14Å; L462-L479 HydrophobicContact CG-CD1 4.15Å; A476-L479 WeakPolarHBondContact O-CB 3.41Å; A476-L479 PolarHBondContact O-N 3.04Å; L479-N481 WeakPolarHBondContact CD2-O 3.46Å; L479-N481 WeakPolarHBondContact CG-O 3.44Å; L479-E485 HydrophobicContact CD2-CB 4.41Å
480	E	91.7	Very high	90	Very high	140 Å²	140	71.5 Å²	71.5	65%	0.654	35%	0.348	S	S	*	.	S	Bend	trans	-80.4	-41.4	-174.8	-69.3	165.8	-147.9	0	0	112.3	R474 L478	R474-E480 IonicContact CZ-OE1 3.91Å; R474-E480 IonicContact NH1-OE1 3.94Å; R474-E480 PolarHBondContact NH1-OE1 3Å; R474-E480 IonicContact NH2-OE1 3.69Å; R474-E480 PolarHBondContact NH2-OE1 2.9Å; L478-E480 PolarHBondContact O-N 3.49Å
481	N	91.6	Very high	90.1	Very high	64 Å²	64	68.4 Å²	68.4	34%	0.342	34%	0.335	S	S	.	.			trans	-102.6	108.3	177.8	-175.7	6.9	0	0	0	111	L479 E483 E484	L479-N481 WeakPolarHBondContact CD2-O 3.46Å; L479-N481 WeakPolarHBondContact CG-O 3.44Å; N481-E483 PolarHBondContact O-N 3.29Å; N481-E483 WeakPolarHBondContact OD1-CB 3.36Å; N481-E483 PolarHBondContact OD1-N 3.39Å; N481-E484 HydrophobicContact CB-CG 4.05Å; N481-E484 WeakPolarHBondContact ND2-CG 3.38Å; N481-E484 PolarHBondContact ND2-OE1 2.77Å; N481-E484 WeakPolarHBondContact O-CB 3.41Å; N481-E484 PolarHBondContact O-N 2.95Å; N481-E484 VanDerWaalsContact O-N 3.16Å
482	E	88.7	Confident	90.1	Very high	60 Å²	60	67.6 Å²	67.6	28%	0.28	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-65.2	-26.5	-177.5	-54	-167.6	173.8	0	0	113.3	T424 Y425 R426 E484 E485	T424-E482 WeakPolarHBondContact CB-OE2 3.47Å; Y425-E482 WeakPolarHBondContact CB-OE2 3.47Å; Y425-E482 HydrophobicContact CD1-CG 4.21Å; Y425-E482 HydrophobicContact CG-CB 4.48Å; Y425-E482 HydrophobicContact CG-CG 4.36Å; Y425-E482 PolarHBondContact N-OE2 3.4Å; R426-E482 WeakPolarHBondContact CB-OE1 3.4Å; R426-E482 PolarHBondContact N-OE1 3.14Å; E482-E484 PolarHBondContact O-N 3.15Å; E482-E484 VanDerWaalsContact O-N 3.15Å; E482-E485 VanDerWaalsContact O-CB 3.28Å; E482-E485 WeakPolarHBondContact O-CB 3.25Å; E482-E485 PolarHBondContact O-N 3.14Å; E482-E485 VanDerWaalsContact O-N 3.09Å
483	E	88.1	Confident	89.9	Confident	170 Å²	170	68.2 Å²	68.2	79%	0.794	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.7	-22.4	177.6	-60.8	-174.9	167.8	0	0	111.9	N481 E485	N481-E483 PolarHBondContact O-N 3.29Å; N481-E483 WeakPolarHBondContact OD1-CB 3.36Å; N481-E483 PolarHBondContact OD1-N 3.39Å; E483-E485 VanDerWaalsContact C-N 3.3Å; E483-E485 PolarHBondContact O-N 2.78Å
484	E	90.6	Very high	89.6	Confident	59 Å²	59	68.9 Å²	68.9	28%	0.276	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-86.5	2	-179.7	-58.7	-178.2	-157.5	0	0	113.2	N459 A461 N481 E482 R486 N487	N459-E484 PolarHBondContact ND2-O 3.33Å; A461-E484 WeakPolarHBondContact CB-OE2 3.48Å; N481-E484 HydrophobicContact CB-CG 4.05Å; N481-E484 WeakPolarHBondContact ND2-CG 3.38Å; N481-E484 PolarHBondContact ND2-OE1 2.77Å; N481-E484 WeakPolarHBondContact O-CB 3.41Å; N481-E484 PolarHBondContact O-N 2.95Å; N481-E484 VanDerWaalsContact O-N 3.16Å; E482-E484 PolarHBondContact O-N 3.15Å; E482-E484 VanDerWaalsContact O-N 3.15Å; E484-R486 PolarHBondContact O-N 3.17Å; E484-R486 VanDerWaalsContact O-N 3.07Å; E484-N487 HydrophobicContact CB-CB 4.48Å; E484-N487 WeakPolarHBondContact CB-ND2 3.05Å; E484-N487 WeakPolarHBondContact CG-ND2 3.01Å; E484-N487 WeakPolarHBondContact O-CB 3.36Å; E484-N487 PolarHBondContact O-N 3.43Å
485	E	89.6	Confident	89.3	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.047	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-49.9	-39.8	-179.9	176.9	-176.6	166.9	0	0	112	K310 R392 Y425 T448 L479 E482 E483 S488	K310-E485 IonicContact NZ-OE1 3.25Å; K310-E485 PolarHBondContact NZ-OE1 3.35Å; R392-E485 IonicContact CZ-OE2 3.65Å; R392-E485 IonicContact NH1-OE2 2.85Å; R392-E485 PolarHBondContact NH1-OE2 2.97Å; R392-E485 VanDerWaalsContact NH2-CD 3.28Å; R392-E485 IonicContact NH2-OE1 2.64Å; R392-E485 PolarHBondContact NH2-OE1 3.22Å; R392-E485 VanDerWaalsContact NH2-OE1 3.13Å; R392-E485 IonicContact NH2-OE2 3.66Å; R392-E485 PolarHBondContact NH2-OE2 3.07Å; Y425-E485 HydrophobicContact CD2-CB 4.18Å; Y425-E485 VanDerWaalsContact CD2-CD 3.47Å; Y425-E485 HydrophobicContact CD2-CG 3.83Å; Y425-E485 VanDerWaalsContact CD2-OE2 3.27Å; Y425-E485 WeakPolarHBondContact CD2-OE2 3.46Å; Y425-E485 HydrophobicContact CE2-CB 4.23Å; Y425-E485 HydrophobicContact CE2-CG 3.73Å; T448-E485 PolarHBondContact OG1-O 3.45Å; L479-E485 HydrophobicContact CD2-CB 4.41Å; E482-E485 VanDerWaalsContact O-CB 3.28Å; E482-E485 WeakPolarHBondContact O-CB 3.25Å; E482-E485 PolarHBondContact O-N 3.14Å; E482-E485 VanDerWaalsContact O-N 3.09Å; E483-E485 VanDerWaalsContact C-N 3.3Å; E483-E485 PolarHBondContact O-N 2.78Å; E485-S488 PolarHBondContact O-OG 2.98Å
486	R	86.2	Confident	88.8	Confident	85 Å²	85	71.1 Å²	71.1	32%	0.321	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-93.5	1.9	-177.3	-66.6	-169.3	173.9	96.3	15.1	115	T394 D395 P396 E484 S488 R489	T394-R486 PolarHBondContact O-NH1 2.74Å; D395-R486 IonicContact OD1-CZ 3.17Å; D395-R486 IonicContact OD1-NH1 3.05Å; D395-R486 IonicContact OD1-NH2 2.6Å; D395-R486 PolarHBondContact OD1-NH2 3.39Å; P396-R486 VanDerWaalsContact CD-CZ 3.46Å; E484-R486 PolarHBondContact O-N 3.17Å; E484-R486 VanDerWaalsContact O-N 3.07Å; R486-S488 PolarHBondContact O-N 2.99Å; R486-R489 WeakPolarHBondContact O-CB 3.26Å; R486-R489 PolarHBondContact O-N 3.49Å
487	N	87.6	Confident	88.2	Confident	89 Å²	89	76.1 Å²	76.1	48%	0.476	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-1.3	171.3	-66.1	-5.6	0	0	0	112.7	E484 R489	E484-N487 HydrophobicContact CB-CB 4.48Å; E484-N487 WeakPolarHBondContact CB-ND2 3.05Å; E484-N487 WeakPolarHBondContact CG-ND2 3.01Å; E484-N487 WeakPolarHBondContact O-CB 3.36Å; E484-N487 PolarHBondContact O-N 3.43Å; N487-R489 VanDerWaalsContact C-N 3.31Å
488	S	81.7	Confident	87.6	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	8.2	170.6	51.6	0	0	0	0	113.8	T448 S449 T456 V457 E485 R486	T448-S488 PolarHBondContact OG1-OG 2.98Å; S449-S488 WeakPolarHBondContact CB-OG 3.42Å; S449-S488 PolarHBondContact N-OG 3.09Å; T456-S488 WeakPolarHBondContact CA-O 3.46Å; V457-S488 PolarHBondContact N-O 2.89Å; V457-S488 WeakPolarHBondContact O-CA 3.39Å; V457-S488 WeakPolarHBondContact O-CB 3.48Å; E485-S488 PolarHBondContact O-OG 2.98Å; R486-S488 PolarHBondContact O-N 2.99Å
489	R	80.5	Confident	86.9	Confident	83 Å²	83	76 Å²	76	31%	0.313	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-113	138.3	179.7	-56.7	-57.7	-171.4	139.1	7.8	111.7	S449 L450 G451 N455 T456 R486 N487	S449-R489 PolarHBondContact O-NE 2.55Å; S449-R489 PolarHBondContact OG-NE 3.31Å; S449-R489 PolarHBondContact OG-NH2 3.4Å; L450-R489 VanDerWaalsContact C-CZ 3.46Å; L450-R489 PolarHBondContact O-NH2 3.34Å; G451-R489 VanDerWaalsContact N-CZ 3.34Å; N455-R489 WeakPolarHBondContact O-CA 3.35Å; N455-R489 PolarHBondContact OD1-NH1 2.85Å; T456-R489 PolarHBondContact OG1-NH1 2.97Å; T456-R489 VanDerWaalsContact OG1-NH1 3.14Å; R486-R489 WeakPolarHBondContact O-CB 3.26Å; R486-R489 PolarHBondContact O-N 3.49Å; N487-R489 VanDerWaalsContact C-N 3.31Å
490	T	70.6	Confident	86.1	Confident	144 Å²	144	82.2 Å²	82.2	88%	0.883	40%	0.399	S	S	*	.			trans	-106.1	0	176	55.6	0	0	0	0	112.4	N455 V457	N455-T490 WeakPolarHBondContact CA-OG1 3.39Å; N455-T490 PolarHBondContact O-N 3.38Å; N455-T490 VanDerWaalsContact O-N 3.12Å; V457-T490 HydrophobicContact CG1-CG2 3.87Å; V457-T490 HydrophobicContact CG2-CG2 4.24Å

Retrieved 490 of 490 residues in 91.5 ms (Link to these results)

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