X2JFD6_DROME Loading...

Peroxisomal multifunctional enzyme type 2

AlphaFold DB (Q9VXJ0), UniProt , Accession X2JFD6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Mfe2, Length 598 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	45.8	Very low	75.7	Confident	193 Å²	193	89.4 Å²	89.4	95%	0.951	52%	0.521	S	S	*	.				0	117.6	0	-68.6	177.8	-170.5	0	0	108	E231	M1-E231 PolarHBondContact N-OE1 3.39Å
2	S	43.9	Very low	77.5	Confident	119 Å²	119	86 Å²	86	83%	0.832	52%	0.519	S	S	*	.			trans	-78.6	123.2	173.6	66.3	0	0	0	0	109.4
3	S	50	Low	79.1	Confident	27 Å²	27	83 Å²	83	19%	0.189	49%	0.493	C	S	.	.			trans	-63.8	155.6	170.2	62.1	0	0	0	0	110.6	D5 G6 K7	S3-D5 WeakPolarHBondContact CB-OD1 3.49Å; S3-D5 PolarHBondContact O-N 3.46Å; S3-D5 PolarHBondContact OG-OD1 2.91Å; S3-G6 PolarHBondContact O-N 3.39Å; S3-K7 PolarHBondContact OG-N 3.26Å; S3-K7 PolarHBondContact OG-O 3.01Å; S3-K7 VanDerWaalsContact OG-O 3.13Å
4	S	55.8	Low	80.5	Confident	141 Å²	141	77.2 Å²	77.2	99%	0.986	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.8	177.9	56	0	0	0	0	114.4
5	D	73.9	Confident	81.7	Confident	83 Å²	83	72.1 Å²	72.1	44%	0.444	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	6.4	-179.5	71.4	-13.7	0	0	0	114.4	S3 K7	S3-D5 WeakPolarHBondContact CB-OD1 3.49Å; S3-D5 PolarHBondContact O-N 3.46Å; S3-D5 PolarHBondContact OG-OD1 2.91Å; D5-K7 PolarHBondContact O-N 2.99Å; D5-K7 PolarHBondContact OD1-N 3.36Å; D5-K7 WeakPolarHBondContact OD2-CD 3.45Å; D5-K7 WeakPolarHBondContact OD2-CE 3.15Å; D5-K7 WeakPolarHBondContact OD2-CG 3.48Å; D5-K7 IonicContact OD2-NZ 3.94Å; D5-K7 PolarHBondContact OD2-NZ 2.87Å
6	G	81.6	Confident	82.8	Confident	67 Å²	67	67.6 Å²	67.6	69%	0.691	40%	0.401	S	S	*	.			trans	72.6	8.9	177	0	0	0	0	0	115.3	S3	S3-G6 PolarHBondContact O-N 3.39Å
7	K	90.6	Very high	83.8	Confident	117 Å²	117	63.6 Å²	63.6	51%	0.509	38%	0.378	S	S	.	.			trans	-78.9	142.3	176.7	-65.6	-175.9	-170.2	134.6	0	111.5	S3 D5	S3-K7 PolarHBondContact OG-N 3.26Å; S3-K7 PolarHBondContact OG-O 3.01Å; S3-K7 VanDerWaalsContact OG-O 3.13Å; D5-K7 PolarHBondContact O-N 2.99Å; D5-K7 PolarHBondContact OD1-N 3.36Å; D5-K7 WeakPolarHBondContact OD2-CD 3.45Å; D5-K7 WeakPolarHBondContact OD2-CE 3.15Å; D5-K7 WeakPolarHBondContact OD2-CG 3.48Å; D5-K7 IonicContact OD2-NZ 3.94Å; D5-K7 PolarHBondContact OD2-NZ 2.87Å
8	L	97	Very high	84.6	Confident	65 Å²	65	60.2 Å²	60.2	34%	0.34	36%	0.357	S	S	.	.			trans	-72.4	130	170.7	-56	-176.4	0	0	0	110.2	R35 Y227	L8-R35 PolarHBondContact O-NH1 2.92Å; L8-R35 VanDerWaalsContact O-NH1 3.16Å; L8-Y227 HydrophobicContact CD1-CD2 3.6Å; L8-Y227 HydrophobicContact CD1-CE2 3.97Å
9	R	97.9	Very high	85.2	Confident	75 Å²	75	57.8 Å²	57.8	28%	0.283	35%	0.347	S	S	.	.			trans	-137.1	162.5	-171.7	-61.7	-165.5	65.8	81	10.6	112.3	D11 H230	R9-D11 WeakPolarHBondContact CD-OD2 3.27Å; R9-D11 IonicContact CZ-OD1 3.22Å; R9-D11 IonicContact CZ-OD2 2.74Å; R9-D11 IonicContact NE-OD1 2.87Å; R9-D11 PolarHBondContact NE-OD1 2.74Å; R9-D11 IonicContact NE-OD2 3.87Å; R9-D11 PolarHBondContact NE-OD2 3.22Å; R9-D11 IonicContact NH2-OD1 3.52Å; R9-D11 PolarHBondContact NH2-OD1 3.34Å; R9-D11 IonicContact NH2-OD2 3.78Å; R9-H230 PolarHBondContact O-CD2 3.32Å; R9-H230 PolarHBondContact O-NE2 3.35Å
10	Y	98.4	Very high	85.9	Confident	8 Å²	8	55 Å²	55	3%	0.031	33%	0.33	C	S	.	.			trans	-130.5	27.7	-177.4	-54.1	-91.9	0	0	0	111.7	G12 R13 F32 R35 I98 A226 C229 H230	Y10-G12 PolarHBondContact O-N 2.87Å; Y10-R13 VanDerWaalsContact O-CB 3.23Å; Y10-R13 WeakPolarHBondContact O-CB 3.43Å; Y10-R13 WeakPolarHBondContact O-CG 3.41Å; Y10-R13 PolarHBondContact O-N 2.8Å; Y10-F32 HydrophobicContact CD1-CD1 4.3Å; Y10-F32 HydrophobicContact CD1-CE1 4.3Å; Y10-F32 HydrophobicContact CD2-CD1 4.12Å; Y10-F32 HydrophobicContact CE1-CD1 4.23Å; Y10-F32 AromaticContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE2-CD1 4.1Å; Y10-F32 HydrophobicContact CE2-CE1 4.33Å; Y10-F32 HydrophobicContact CG-CD1 4.25Å; Y10-F32 AromaticContact CZ-CE1 3.94Å; Y10-R35 HydrophobicContact CD2-CB 3.52Å; Y10-R35 HydrophobicContact CE2-CB 3.81Å; Y10-R35 HydrophobicContact CE2-CG 4.36Å; Y10-R35 PolarHBondContact N-O 2.84Å; Y10-I98 HydrophobicContact CD1-CD1 3.66Å; Y10-I98 HydrophobicContact CE1-CD1 4.1Å; Y10-I98 HydrophobicContact CG-CD1 4.5Å; Y10-A226 PolarHBondContact OH-O 2.55Å; Y10-C229 HydrophobicContact CE1-CB 4.43Å; Y10-H230 HydrophobicContact CE1-CB 4.03Å; Y10-H230 AromaticContact CE1-CD2 3.99Å; Y10-H230 AromaticContact CZ-CD2 3.97Å
11	D	97.7	Very high	86.3	Confident	88 Å²	88	52.9 Å²	52.9	47%	0.471	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	129.7	-178.3	-55	-52.2	0	0	0	110.4	R9 R13 G36	R9-D11 WeakPolarHBondContact CD-OD2 3.27Å; R9-D11 IonicContact CZ-OD1 3.22Å; R9-D11 IonicContact CZ-OD2 2.74Å; R9-D11 IonicContact NE-OD1 2.87Å; R9-D11 PolarHBondContact NE-OD1 2.74Å; R9-D11 IonicContact NE-OD2 3.87Å; R9-D11 PolarHBondContact NE-OD2 3.22Å; R9-D11 IonicContact NH2-OD1 3.52Å; R9-D11 PolarHBondContact NH2-OD1 3.34Å; R9-D11 IonicContact NH2-OD2 3.78Å; D11-R13 VanDerWaalsContact C-N 3.26Å; D11-R13 PolarHBondContact O-N 3.04Å; D11-G36 WeakPolarHBondContact OD1-CA 3.31Å
12	G	97.4	Very high	88.5	Confident	49 Å²	49	46.7 Å²	46.7	51%	0.505	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-0.7	-176.9	0	0	0	0	0	115.7	Y10	Y10-G12 PolarHBondContact O-N 2.87Å
13	R	98.5	Very high	90.9	Very high	47 Å²	47	43 Å²	43	18%	0.177	28%	0.281	C	S	.	.			trans	-89.9	148.3	173.1	-54.2	-61.6	-175.2	168.8	2	111.2	Y10 D11 A37 K38 D97 Y146 E231	Y10-R13 VanDerWaalsContact O-CB 3.23Å; Y10-R13 WeakPolarHBondContact O-CB 3.43Å; Y10-R13 WeakPolarHBondContact O-CG 3.41Å; Y10-R13 PolarHBondContact O-N 2.8Å; D11-R13 VanDerWaalsContact C-N 3.26Å; D11-R13 PolarHBondContact O-N 3.04Å; R13-A37 WeakPolarHBondContact O-CA 3.46Å; R13-K38 PolarHBondContact O-N 3.05Å; R13-D97 WeakPolarHBondContact CA-OD2 3.48Å; R13-D97 HydrophobicContact CB-CB 4.09Å; R13-D97 IonicContact NH1-OD1 2.86Å; R13-D97 PolarHBondContact NH1-OD1 2.98Å; R13-D97 VanDerWaalsContact NH1-OD1 3.15Å; R13-Y146 VanDerWaalsContact NH1-CD1 3.27Å; R13-E231 IonicContact NH2-OE2 2.88Å; R13-E231 PolarHBondContact NH2-OE2 2.85Å
14	V	98.9	Very high	93	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.1	173	178.6	0	0	0	0	110.4	K38 A89 F93 R95 D97 I98	V14-K38 CarbonylContact C-O 3.54Å; V14-K38 WeakPolarHBondContact CA-O 3.23Å; V14-K38 HydrophobicContact CG2-CB 4.19Å; V14-A89 HydrophobicContact CG1-CB 4.18Å; V14-F93 HydrophobicContact CG1-CB 4.23Å; V14-F93 HydrophobicContact CG1-CD2 3.73Å; V14-F93 HydrophobicContact CG1-CG 4.4Å; V14-F93 HydrophobicContact CG2-CB 3.46Å; V14-F93 VanDerWaalsContact CG2-CB 3.46Å; V14-F93 HydrophobicContact CG2-CD2 4.24Å; V14-F93 HydrophobicContact CG2-CG 4.12Å; V14-R95 HydrophobicContact CB-CG 4.07Å; V14-R95 WeakPolarHBondContact CB-O 3.27Å; V14-R95 VanDerWaalsContact CG1-O 3.32Å; V14-R95 WeakPolarHBondContact CG1-O 3.3Å; V14-R95 HydrophobicContact CG2-CG 3.4Å; V14-R95 VanDerWaalsContact CG2-CG 3.4Å; V14-D97 PolarHBondContact N-OD2 2.97Å; V14-D97 PolarHBondContact O-N 3.27Å; V14-I98 PolarHBondContact O-N 2.75Å
15	A	98.9	Very high	95	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127	177.1	0	0	0	0	0	111.4	F32 A37 K38 V39 V40 I98	A15-F32 HydrophobicContact CB-CB 4.35Å; A15-F32 HydrophobicContact CB-CD2 4.19Å; A15-F32 HydrophobicContact CB-CG 4.2Å; A15-A37 HydrophobicContact CB-CB 4.39Å; A15-K38 PolarHBondContact N-O 3.25Å; A15-V39 CarbonylContact O-C 3.57Å; A15-V39 WeakPolarHBondContact O-CA 3.33Å; A15-V40 PolarHBondContact O-N 3.29Å; A15-I98 CarbonylContact C-O 3.53Å; A15-I98 WeakPolarHBondContact CA-O 3.23Å; A15-I98 HydrophobicContact CB-CB 3.91Å; A15-I98 HydrophobicContact CB-CD1 4.4Å; A15-I98 HydrophobicContact CB-CG2 4.17Å
16	V	99	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.7	169.8	-179.3	0	0	0	0	107.8	V40 V85 I86 A89 V96 I98 L99 V100	V16-V40 HydrophobicContact CB-CB 4.45Å; V16-V40 HydrophobicContact CG1-CB 4.38Å; V16-V40 HydrophobicContact CG2-CB 4.06Å; V16-V40 HydrophobicContact CG2-CG2 4.16Å; V16-V85 HydrophobicContact CG1-CG1 3.89Å; V16-I86 HydrophobicContact CG1-CD1 4.38Å; V16-I86 HydrophobicContact CG2-CD1 4.35Å; V16-A89 HydrophobicContact CG2-CB 3.64Å; V16-V96 HydrophobicContact CG2-CG2 3.75Å; V16-I98 PolarHBondContact N-O 2.87Å; V16-L99 HydrophobicContact CB-CD1 4Å; V16-L99 HydrophobicContact CG1-CD1 3.96Å; V16-L99 WeakPolarHBondContact O-CA 3.19Å; V16-V100 PolarHBondContact O-N 3.28Å
17	V	98.9	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.5	177.4	-172.1	0	0	0	0	108.4	A20 Y28 A29 F32 V40 N42 V100	V17-A20 HydrophobicContact CB-CB 3.87Å; V17-A20 HydrophobicContact CG1-CB 3.8Å; V17-A20 VanDerWaalsContact O-CB 3.3Å; V17-A20 WeakPolarHBondContact O-CB 3.34Å; V17-Y28 HydrophobicContact CG1-CD2 4.34Å; V17-A29 HydrophobicContact CG2-CB 4.46Å; V17-F32 HydrophobicContact CG2-CD2 4.27Å; V17-V40 PolarHBondContact N-O 3.38Å; V17-V40 VanDerWaalsContact N-O 3.08Å; V17-N42 PolarHBondContact O-N 3.43Å; V17-V100 HydrophobicContact CG1-CB 4.14Å; V17-V100 HydrophobicContact CG1-CG1 4.37Å; V17-V100 HydrophobicContact CG2-CB 4.3Å; V17-V100 HydrophobicContact CG2-CG2 4.38Å
18	T	98.7	Very high	97.3	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144.9	178.6	68.4	0	0	0	0	111.7	A20 N42 V79 V85 V100 N102 A103	T18-A20 VanDerWaalsContact C-N 3.31Å; T18-N42 CarbonylContact C-O 3.55Å; T18-N42 WeakPolarHBondContact CA-OD1 3.28Å; T18-N42 WeakPolarHBondContact CB-OD1 3.46Å; T18-N42 HydrophobicContact CG2-CB 4.31Å; T18-V79 HydrophobicContact CG2-CG1 3.81Å; T18-V85 HydrophobicContact CG2-CG1 4.45Å; T18-V100 PolarHBondContact N-O 3.07Å; T18-V100 PolarHBondContact OG1-O 3.45Å; T18-N102 CarbonylContact O-C 3.53Å; T18-N102 VanDerWaalsContact O-CB 3.26Å; T18-N102 WeakPolarHBondContact O-CB 3.43Å; T18-N102 PolarHBondContact O-ND2 2.72Å; T18-N102 VanDerWaalsContact O-ND2 3.07Å; T18-N102 PolarHBondContact OG1-N 3.37Å; T18-A103 PolarHBondContact O-N 3.15Å; T18-A103 VanDerWaalsContact O-N 3.1Å; T18-A103 PolarHBondContact OG1-N 2.96Å
19	G	96.8	Very high	97.3	Very high	16 Å²	16	25.4 Å²	25.4	17%	0.165	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	42.3	-171.4	0	0	0	0	0	112	N42 D43 N102	G19-N42 WeakPolarHBondContact CA-O 3.26Å; G19-N42 PolarHBondContact N-O 2.92Å; G19-D43 VanDerWaalsContact C-OD2 3.28Å; G19-D43 WeakPolarHBondContact CA-OD2 3.31Å; G19-N102 PolarHBondContact O-ND2 3.17Å; G19-N102 VanDerWaalsContact O-ND2 3.13Å
20	A	97.7	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.151	C	C	.	.			trans	-95.2	3.6	-171.8	0	0	0	0	0	114.4	V17 T18 A22 R26 A29 V41 N42 D43	V17-A20 HydrophobicContact CB-CB 3.87Å; V17-A20 HydrophobicContact CG1-CB 3.8Å; V17-A20 VanDerWaalsContact O-CB 3.3Å; V17-A20 WeakPolarHBondContact O-CB 3.34Å; T18-A20 VanDerWaalsContact C-N 3.31Å; A20-A22 VanDerWaalsContact C-N 3.28Å; A20-A22 PolarHBondContact O-N 2.92Å; A20-R26 VanDerWaalsContact O-CA 3.28Å; A20-R26 WeakPolarHBondContact O-CA 3.17Å; A20-R26 PolarHBondContact O-N 3.47Å; A20-A29 HydrophobicContact CB-CB 4.32Å; A20-V41 HydrophobicContact CB-CB 4.46Å; A20-V41 HydrophobicContact CB-CG1 3.71Å; A20-N42 PolarHBondContact N-O 2.93Å; A20-D43 PolarHBondContact N-OD2 2.99Å
21	G	95.1	Very high	97.4	Very high	12 Å²	12	23.9 Å²	23.9	12%	0.124	16%	0.155	C	C	.	.	S	Bend	trans	-74.1	-17.7	178.9	0	0	0	0	0	114	D43 A57	G21-D43 WeakPolarHBondContact CA-OD2 3.16Å; G21-D43 PolarHBondContact N-OD2 2.88Å; G21-A57 VanDerWaalsContact CA-O 3.23Å; G21-A57 WeakPolarHBondContact CA-O 3.33Å
22	A	93	Very high	97.4	Very high	63 Å²	63	19.7 Å²	19.7	52%	0.521	13%	0.133	S	C	.	.	S	Bend	trans	-155.1	174.8	178.4	0	0	0	0	0	112.5	A20 R26	A20-A22 VanDerWaalsContact C-N 3.28Å; A20-A22 PolarHBondContact O-N 2.92Å; A22-R26 PolarHBondContact O-N 2.75Å
23	G	92.6	Very high	97.5	Very high	42 Å²	42	17.9 Å²	17.9	43%	0.433	11%	0.113	S	C	.	.	H	α-helix	trans	58.2	-138	169.3	0	0	0	0	0	114.2	R26 E27	G23-R26 PolarHBondContact O-N 2.98Å; G23-E27 PolarHBondContact O-N 3.35Å
24	L	95.3	Very high	97.5	Very high	29 Å²	29	21.8 Å²	21.8	15%	0.152	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-47.3	-179	-71.8	164	0	0	0	112.7	R26 E27 Y28 P197 A199 P218 I221	L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 3.48Å; L24-E27 PolarHBondContact O-N 3.33Å; L24-E27 VanDerWaalsContact O-N 3.16Å; L24-Y28 HydrophobicContact CB-CE1 4.43Å; L24-Y28 HydrophobicContact CB-CE2 3.92Å; L24-Y28 HydrophobicContact CD2-CE1 4.37Å; L24-Y28 WeakPolarHBondContact O-CD1 3.32Å; L24-Y28 WeakPolarHBondContact O-CD2 3.38Å; L24-Y28 PolarHBondContact O-N 3.47Å; L24-P197 HydrophobicContact CD1-CB 3.73Å; L24-P197 HydrophobicContact CD1-CG 3.72Å; L24-P197 HydrophobicContact CD2-CB 4.41Å; L24-A199 HydrophobicContact CD1-CB 4.41Å; L24-A199 HydrophobicContact CD2-CB 4.22Å; L24-A199 HydrophobicContact CG-CB 4.37Å; L24-P218 HydrophobicContact CD2-CB 3.75Å; L24-P218 HydrophobicContact CD2-CG 4.34Å; L24-P218 HydrophobicContact CG-CB 4.21Å; L24-P218 HydrophobicContact CG-CG 4.5Å; L24-I221 HydrophobicContact CD2-CB 4.12Å; L24-I221 HydrophobicContact CD2-CD1 3.74Å; L24-I221 HydrophobicContact CD2-CG2 4.29Å
25	G	97.1	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-39	-179.3	0	0	0	0	0	112.5	Y28 A29 N102	G25-Y28 PolarHBondContact O-N 3.05Å; G25-A29 WeakPolarHBondContact O-CB 3.32Å; G25-A29 PolarHBondContact O-N 2.86Å; G25-N102 VanDerWaalsContact CA-ND2 3.35Å; G25-N102 WeakPolarHBondContact CA-ND2 3.5Å; G25-N102 PolarHBondContact N-ND2 3.18Å
26	R	97.3	Very high	97.4	Very high	62 Å²	62	26.1 Å²	26.1	23%	0.234	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-49.7	173.9	176.4	179.4	176.7	-80.6	3.2	111.8	A20 A22 G23 L24 Y28 A29 L30 V61 E64	A20-R26 VanDerWaalsContact O-CA 3.28Å; A20-R26 WeakPolarHBondContact O-CA 3.17Å; A20-R26 PolarHBondContact O-N 3.47Å; A22-R26 PolarHBondContact O-N 2.75Å; G23-R26 PolarHBondContact O-N 2.98Å; L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 3.48Å; R26-Y28 VanDerWaalsContact C-N 3.3Å; R26-Y28 PolarHBondContact O-N 2.94Å; R26-A29 PolarHBondContact O-N 3.26Å; R26-L30 HydrophobicContact CG-CD1 3.91Å; R26-L30 HydrophobicContact CG-CG 4.35Å; R26-L30 VanDerWaalsContact CZ-CD1 3.48Å; R26-L30 VanDerWaalsContact NH1-CD1 3.35Å; R26-L30 WeakPolarHBondContact O-CG 3.44Å; R26-L30 PolarHBondContact O-N 3.03Å; R26-V61 HydrophobicContact CB-CG2 4.33Å; R26-V61 HydrophobicContact CG-CG1 4.19Å; R26-V61 HydrophobicContact CG-CG2 3.78Å; R26-E64 IonicContact CZ-OE1 3.33Å; R26-E64 IonicContact CZ-OE2 3.99Å; R26-E64 IonicContact NE-OE2 3.61Å; R26-E64 IonicContact NH2-OE1 2.85Å; R26-E64 PolarHBondContact NH2-OE1 2.83Å; R26-E64 IonicContact NH2-OE2 2.77Å; R26-E64 PolarHBondContact NH2-OE2 3.32Å
27	E	97.8	Very high	97.4	Very high	37 Å²	37	26.3 Å²	26.3	17%	0.173	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-34.2	179.9	-64.2	-55.9	127.5	0	0	112.4	G23 L24 L31 P218 K219 A222	G23-E27 PolarHBondContact O-N 3.35Å; L24-E27 PolarHBondContact O-N 3.33Å; L24-E27 VanDerWaalsContact O-N 3.16Å; E27-L31 VanDerWaalsContact O-CB 3.31Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 PolarHBondContact O-N 2.56Å; E27-P218 HydrophobicContact CB-CB 4.4Å; E27-P218 HydrophobicContact CG-CB 3.71Å; E27-K219 HydrophobicContact CG-CB 4.41Å; E27-A222 HydrophobicContact CB-CB 4.03Å
28	Y	98.6	Very high	97.4	Very high	1 Å²	1	29 Å²	29	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-48.9	172.8	-55.1	-24.7	0	0	0	111.2	V17 L24 G25 R26 L30 L31 F32 V100 N102 I221 A222 V225	V17-Y28 HydrophobicContact CG1-CD2 4.34Å; L24-Y28 HydrophobicContact CB-CE1 4.43Å; L24-Y28 HydrophobicContact CB-CE2 3.92Å; L24-Y28 HydrophobicContact CD2-CE1 4.37Å; L24-Y28 WeakPolarHBondContact O-CD1 3.32Å; L24-Y28 WeakPolarHBondContact O-CD2 3.38Å; L24-Y28 PolarHBondContact O-N 3.47Å; G25-Y28 PolarHBondContact O-N 3.05Å; R26-Y28 VanDerWaalsContact C-N 3.3Å; R26-Y28 PolarHBondContact O-N 2.94Å; Y28-L30 PolarHBondContact O-N 3.31Å; Y28-L31 PolarHBondContact O-N 2.63Å; Y28-F32 WeakPolarHBondContact O-CD2 3.5Å; Y28-F32 PolarHBondContact O-N 2.76Å; Y28-V100 HydrophobicContact CD2-CG1 3.76Å; Y28-V100 HydrophobicContact CE2-CG1 4.1Å; Y28-N102 HydrophobicContact CE2-CB 4.36Å; Y28-I221 HydrophobicContact CE1-CG2 4.26Å; Y28-A222 HydrophobicContact CD1-CB 3.67Å; Y28-A222 HydrophobicContact CE1-CB 4.06Å; Y28-V225 HydrophobicContact CD1-CB 4.11Å; Y28-V225 HydrophobicContact CD1-CG1 4.22Å; Y28-V225 HydrophobicContact CD1-CG2 4.34Å; Y28-V225 HydrophobicContact CD2-CG1 4.32Å; Y28-V225 HydrophobicContact CE1-CB 3.96Å; Y28-V225 HydrophobicContact CE1-CG1 4.37Å; Y28-V225 HydrophobicContact CE1-CG2 3.7Å; Y28-V225 HydrophobicContact CE2-CG1 4.44Å; Y28-V225 HydrophobicContact CE2-CG2 4.28Å; Y28-V225 HydrophobicContact CG-CG1 4.2Å
29	A	98.8	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-46.2	179.4	0	0	0	0	0	112	V17 A20 G25 R26 A33 V39 V41 V61 I65	V17-A29 HydrophobicContact CG2-CB 4.46Å; A20-A29 HydrophobicContact CB-CB 4.32Å; G25-A29 WeakPolarHBondContact O-CB 3.32Å; G25-A29 PolarHBondContact O-N 2.86Å; R26-A29 PolarHBondContact O-N 3.26Å; A29-A33 WeakPolarHBondContact O-CB 3.24Å; A29-A33 PolarHBondContact O-N 3.12Å; A29-V39 HydrophobicContact CB-CG1 3.88Å; A29-V41 HydrophobicContact CB-CG2 4.34Å; A29-V61 HydrophobicContact CB-CG1 4.28Å; A29-I65 HydrophobicContact CB-CD1 4.31Å
30	L	98.8	Very high	97.5	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.157	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-45.5	177.4	-69.4	174.1	0	0	0	111.9	R26 Y28 A33 E34 V61 E64 I65	R26-L30 HydrophobicContact CG-CD1 3.91Å; R26-L30 HydrophobicContact CG-CG 4.35Å; R26-L30 VanDerWaalsContact CZ-CD1 3.48Å; R26-L30 VanDerWaalsContact NH1-CD1 3.35Å; R26-L30 WeakPolarHBondContact O-CG 3.44Å; R26-L30 PolarHBondContact O-N 3.03Å; Y28-L30 PolarHBondContact O-N 3.31Å; L30-A33 PolarHBondContact O-N 3.36Å; L30-E34 WeakPolarHBondContact O-CB 3.47Å; L30-E34 PolarHBondContact O-N 3.13Å; L30-V61 HydrophobicContact CD2-CG1 4.47Å; L30-E64 HydrophobicContact CD2-CB 4.36Å; L30-E64 HydrophobicContact CD2-CG 3.92Å; L30-I65 HydrophobicContact CD2-CG1 3.77Å
31	L	98.6	Very high	97.6	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.11	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-42.7	-179.9	-179.5	60.2	0	0	0	112.1	E27 Y28 A33 E34 R35 A222 P223 A226	E27-L31 VanDerWaalsContact O-CB 3.31Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 PolarHBondContact O-N 2.56Å; Y28-L31 PolarHBondContact O-N 2.63Å; L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.28Å; L31-E34 PolarHBondContact O-N 3.3Å; L31-R35 HydrophobicContact CD1-CG 4.07Å; L31-R35 WeakPolarHBondContact O-CB 3.5Å; L31-R35 VanDerWaalsContact O-CG 3.28Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 2.85Å; L31-A222 HydrophobicContact CB-CB 4.48Å; L31-A222 VanDerWaalsContact CD2-C 3.47Å; L31-A222 HydrophobicContact CD2-CB 3.86Å; L31-P223 HydrophobicContact CD2-CB 4.46Å; L31-P223 HydrophobicContact CD2-CG 4.19Å; L31-A226 HydrophobicContact CD2-CB 3.74Å; L31-A226 HydrophobicContact CG-CB 4.32Å
32	F	98.8	Very high	97.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-42.6	175.8	-78.5	-55.5	0	0	0	111.7	Y10 A15 V17 Y28 R35 G36 A37 V39 I98 V100 A226 C229	Y10-F32 HydrophobicContact CD1-CD1 4.3Å; Y10-F32 HydrophobicContact CD1-CE1 4.3Å; Y10-F32 HydrophobicContact CD2-CD1 4.12Å; Y10-F32 HydrophobicContact CE1-CD1 4.23Å; Y10-F32 AromaticContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE2-CD1 4.1Å; Y10-F32 HydrophobicContact CE2-CE1 4.33Å; Y10-F32 HydrophobicContact CG-CD1 4.25Å; Y10-F32 AromaticContact CZ-CE1 3.94Å; A15-F32 HydrophobicContact CB-CB 4.35Å; A15-F32 HydrophobicContact CB-CD2 4.19Å; A15-F32 HydrophobicContact CB-CG 4.2Å; V17-F32 HydrophobicContact CG2-CD2 4.27Å; Y28-F32 WeakPolarHBondContact O-CD2 3.5Å; Y28-F32 PolarHBondContact O-N 2.76Å; F32-R35 CarbonylContact O-C 3.56Å; F32-R35 PolarHBondContact O-N 2.92Å; F32-G36 PolarHBondContact O-N 3.16Å; F32-A37 HydrophobicContact CB-CB 3.93Å; F32-A37 VanDerWaalsContact O-CB 3.31Å; F32-A37 WeakPolarHBondContact O-CB 3.47Å; F32-A37 PolarHBondContact O-N 3.2Å; F32-V39 HydrophobicContact CB-CG2 4.09Å; F32-I98 HydrophobicContact CD1-CD1 4.23Å; F32-I98 HydrophobicContact CE1-CD1 3.89Å; F32-I98 HydrophobicContact CE1-CG2 4.45Å; F32-I98 HydrophobicContact CE2-CG2 4.27Å; F32-I98 HydrophobicContact CZ-CD1 4.46Å; F32-I98 HydrophobicContact CZ-CG2 3.96Å; F32-V100 HydrophobicContact CE2-CG2 3.92Å; F32-V100 HydrophobicContact CZ-CG2 4.43Å; F32-A226 HydrophobicContact CE1-CB 4.03Å; F32-A226 HydrophobicContact CZ-CB 4.35Å; F32-C229 HydrophobicContact CE1-CB 3.85Å; F32-C229 HydrophobicContact CZ-CB 3.76Å
33	A	98.8	Very high	98	Very high	11 Å²	11	26 Å²	26	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-44.7	176.5	0	0	0	0	0	112.8	A29 L30 L31 R35 G36 V39 I65	A29-A33 WeakPolarHBondContact O-CB 3.24Å; A29-A33 PolarHBondContact O-N 3.12Å; L30-A33 PolarHBondContact O-N 3.36Å; L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.28Å; A33-R35 PolarHBondContact O-N 2.88Å; A33-R35 VanDerWaalsContact O-N 3.17Å; A33-G36 PolarHBondContact O-N 3.21Å; A33-V39 HydrophobicContact CB-CG2 3.92Å; A33-I65 HydrophobicContact CB-CB 4.28Å; A33-I65 HydrophobicContact CB-CD1 4.07Å; A33-I65 HydrophobicContact CB-CG1 3.89Å; A33-I65 HydrophobicContact CB-CG2 3.48Å; A33-I65 VanDerWaalsContact CB-CG2 3.48Å
34	E	98.2	Very high	98	Very high	128 Å²	128	27.6 Å²	27.6	60%	0.598	14%	0.136	S	C	*	.	H	α-helix	trans	-54.2	-35.2	173.7	-173.9	-158	123.2	0	0	111.2	L30 L31	L30-E34 WeakPolarHBondContact O-CB 3.47Å; L30-E34 PolarHBondContact O-N 3.13Å; L31-E34 PolarHBondContact O-N 3.3Å
35	R	98	Very high	97.7	Very high	71 Å²	71	27 Å²	27	27%	0.268	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	13.9	179.6	-58.1	-53.5	-178.5	84.7	6.3	114.2	L8 Y10 L31 F32 A33	L8-R35 PolarHBondContact O-NH1 2.92Å; L8-R35 VanDerWaalsContact O-NH1 3.16Å; Y10-R35 HydrophobicContact CD2-CB 3.52Å; Y10-R35 HydrophobicContact CE2-CB 3.81Å; Y10-R35 HydrophobicContact CE2-CG 4.36Å; Y10-R35 PolarHBondContact N-O 2.84Å; L31-R35 HydrophobicContact CD1-CG 4.07Å; L31-R35 WeakPolarHBondContact O-CB 3.5Å; L31-R35 VanDerWaalsContact O-CG 3.28Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 2.85Å; F32-R35 CarbonylContact O-C 3.56Å; F32-R35 PolarHBondContact O-N 2.92Å; A33-R35 PolarHBondContact O-N 2.88Å; A33-R35 VanDerWaalsContact O-N 3.17Å
36	G	98	Very high	97.2	Very high	23 Å²	23	28.6 Å²	28.6	24%	0.237	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	5.5	167.9	0	0	0	0	0	116.5	D11 F32 A33	D11-G36 WeakPolarHBondContact OD1-CA 3.31Å; F32-G36 PolarHBondContact O-N 3.16Å; A33-G36 PolarHBondContact O-N 3.21Å
37	A	98.8	Very high	96.7	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.025	16%	0.162	C	C	.	.			trans	-72.7	148.3	172.8	0	0	0	0	0	110.8	R13 A15 F32 V39	R13-A37 WeakPolarHBondContact O-CA 3.46Å; A15-A37 HydrophobicContact CB-CB 4.39Å; F32-A37 HydrophobicContact CB-CB 3.93Å; F32-A37 VanDerWaalsContact O-CB 3.31Å; F32-A37 WeakPolarHBondContact O-CB 3.47Å; F32-A37 PolarHBondContact O-N 3.2Å; A37-V39 HydrophobicContact CB-CG2 4.39Å
38	K	98.9	Very high	96.1	Very high	58 Å²	58	33.3 Å²	33.3	25%	0.252	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.5	164.3	-56.2	-173.8	-178.5	-143	0	108.7	R13 V14 A15 E71 F93	R13-K38 PolarHBondContact O-N 3.05Å; V14-K38 CarbonylContact C-O 3.54Å; V14-K38 WeakPolarHBondContact CA-O 3.23Å; V14-K38 HydrophobicContact CG2-CB 4.19Å; A15-K38 PolarHBondContact N-O 3.25Å; K38-E71 WeakPolarHBondContact CA-O 3.41Å; K38-E71 HydrophobicContact CB-CB 4.42Å; K38-E71 VanDerWaalsContact CE-OE1 3.23Å; K38-E71 WeakPolarHBondContact CE-OE1 2.99Å; K38-E71 VanDerWaalsContact CE-OE2 3.31Å; K38-E71 WeakPolarHBondContact CE-OE2 3.43Å; K38-E71 HydrophobicContact CG-CB 4.06Å; K38-E71 IonicContact NZ-OE1 2.88Å; K38-E71 PolarHBondContact NZ-OE1 2.82Å; K38-E71 IonicContact NZ-OE2 3.83Å; K38-E71 PolarHBondContact NZ-OE2 3.46Å; K38-F93 HydrophobicContact CB-CD1 4.01Å; K38-F93 HydrophobicContact CB-CD2 3.97Å; K38-F93 HydrophobicContact CB-CE1 4Å; K38-F93 HydrophobicContact CB-CE2 3.95Å; K38-F93 HydrophobicContact CB-CG 3.99Å; K38-F93 HydrophobicContact CB-CZ 3.96Å; K38-F93 HydrophobicContact CD-CB 4.32Å; K38-F93 HydrophobicContact CD-CD1 3.59Å; K38-F93 HydrophobicContact CD-CE1 4.04Å; K38-F93 HydrophobicContact CD-CG 4.02Å; K38-F93 HydrophobicContact CG-CD1 4.36Å; K38-F93 HydrophobicContact CG-CE1 4.46Å
39	V	98.9	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.6	-167.4	-174.2	0	0	0	0	112.3	A15 A29 F32 A33 A37 V41 I65 E71 A72 V73	A15-V39 CarbonylContact O-C 3.57Å; A15-V39 WeakPolarHBondContact O-CA 3.33Å; A29-V39 HydrophobicContact CB-CG1 3.88Å; F32-V39 HydrophobicContact CB-CG2 4.09Å; A33-V39 HydrophobicContact CB-CG2 3.92Å; A37-V39 HydrophobicContact CB-CG2 4.39Å; V39-V41 HydrophobicContact CG1-CG2 4.07Å; V39-I65 HydrophobicContact CB-CD1 4.3Å; V39-I65 HydrophobicContact CG1-CD1 4.38Å; V39-E71 PolarHBondContact N-O 2.83Å; V39-A72 HydrophobicContact CB-CB 4.32Å; V39-A72 CarbonylContact O-C 3.55Å; V39-A72 WeakPolarHBondContact O-CA 3.38Å; V39-A72 WeakPolarHBondContact O-CB 3.5Å; V39-V73 PolarHBondContact O-N 3.34Å
40	V	98.9	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.2	162.1	-178.3	0	0	0	0	108.1	A15 V16 V17 N42 V73 D75 T88 A89 F93	A15-V40 PolarHBondContact O-N 3.29Å; V16-V40 HydrophobicContact CB-CB 4.45Å; V16-V40 HydrophobicContact CG1-CB 4.38Å; V16-V40 HydrophobicContact CG2-CB 4.06Å; V16-V40 HydrophobicContact CG2-CG2 4.16Å; V17-V40 PolarHBondContact N-O 3.38Å; V17-V40 VanDerWaalsContact N-O 3.08Å; V40-N42 PolarHBondContact O-N 3.07Å; V40-V73 WeakPolarHBondContact CA-O 3.37Å; V40-V73 HydrophobicContact CB-CG2 4.43Å; V40-V73 HydrophobicContact CG1-CG2 4.43Å; V40-V73 HydrophobicContact CG2-CG2 3.85Å; V40-D75 HydrophobicContact CG1-CB 3.75Å; V40-T88 HydrophobicContact CG1-CG2 3.99Å; V40-A89 HydrophobicContact CG2-CB 3.69Å; V40-F93 HydrophobicContact CG2-CD2 4.16Å; V40-F93 HydrophobicContact CG2-CE2 3.96Å
41	V	98.8	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	96.2	175.7	-179	0	0	0	0	107.4	A20 A29 V39 A58 V61 V62 I65 V73 D75	A20-V41 HydrophobicContact CB-CB 4.46Å; A20-V41 HydrophobicContact CB-CG1 3.71Å; A29-V41 HydrophobicContact CB-CG2 4.34Å; V39-V41 HydrophobicContact CG1-CG2 4.07Å; V41-A58 HydrophobicContact CG1-CB 3.99Å; V41-V61 HydrophobicContact CG1-CB 4.01Å; V41-V61 HydrophobicContact CG1-CG1 4.17Å; V41-V61 HydrophobicContact CG2-CG1 4.09Å; V41-V62 HydrophobicContact CB-CG2 3.76Å; V41-V62 HydrophobicContact CG1-CG2 4.49Å; V41-V62 HydrophobicContact CG2-CG2 3.67Å; V41-I65 HydrophobicContact CG2-CD1 4.03Å; V41-V73 PolarHBondContact N-O 2.7Å; V41-D75 PolarHBondContact O-N 3.14Å
42	N	98.6	Very high	93.6	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.7	174.5	165	-94.7	0	0	0	110.3	V17 T18 G19 A20 V40 D75 N77 V85	V17-N42 PolarHBondContact O-N 3.43Å; T18-N42 CarbonylContact C-O 3.55Å; T18-N42 WeakPolarHBondContact CA-OD1 3.28Å; T18-N42 WeakPolarHBondContact CB-OD1 3.46Å; T18-N42 HydrophobicContact CG2-CB 4.31Å; G19-N42 WeakPolarHBondContact CA-O 3.26Å; G19-N42 PolarHBondContact N-O 2.92Å; A20-N42 PolarHBondContact N-O 2.93Å; V40-N42 PolarHBondContact O-N 3.07Å; N42-D75 VanDerWaalsContact CA-O 3.31Å; N42-D75 WeakPolarHBondContact CA-O 3.41Å; N42-D75 HydrophobicContact CB-CB 4.11Å; N42-D75 PolarHBondContact ND2-OD2 2.91Å; N42-N77 PolarHBondContact ND2-O 3.3Å; N42-V85 HydrophobicContact CB-CG1 3.97Å
43	D	97.5	Very high	92.9	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.134	27%	0.27	C	S	.	.			trans	-155.4	129.5	167.6	-151.7	-60.1	0	0	0	110.8	G19 A20 G21 G45 A57 A58 D75	G19-D43 VanDerWaalsContact C-OD2 3.28Å; G19-D43 WeakPolarHBondContact CA-OD2 3.31Å; A20-D43 PolarHBondContact N-OD2 2.99Å; G21-D43 WeakPolarHBondContact CA-OD2 3.16Å; G21-D43 PolarHBondContact N-OD2 2.88Å; D43-G45 PolarHBondContact O-N 2.94Å; D43-G45 WeakPolarHBondContact OD1-CA 3.42Å; D43-G45 PolarHBondContact OD1-N 3.35Å; D43-A57 HydrophobicContact CB-CB 4.36Å; D43-A58 HydrophobicContact CB-CB 4.16Å; D43-D75 PolarHBondContact N-O 2.77Å
44	L	92.7	Very high	92.4	Very high	76 Å²	76	45.5 Å²	45.5	40%	0.398	28%	0.283	S	S	.	.			trans	-71.5	-23.4	174.2	-172.5	64.1	0	0	0	111.3	A53 S54 Y76	L44-A53 HydrophobicContact CD1-CB 4.25Å; L44-A53 HydrophobicContact CG-CB 4.18Å; L44-A53 CarbonylContact O-C 3.51Å; L44-A53 WeakPolarHBondContact O-CA 3.44Å; L44-A53 WeakPolarHBondContact O-CB 3.43Å; L44-S54 PolarHBondContact O-N 3.18Å; L44-Y76 WeakPolarHBondContact CD1-O 3.39Å
45	G	88.9	Confident	92.1	Very high	16 Å²	16	45 Å²	45	17%	0.165	28%	0.281	C	S	.	.			trans	77	23.6	-179.1	0	0	0	0	0	114.5	D43 S54	D43-G45 PolarHBondContact O-N 2.94Å; D43-G45 WeakPolarHBondContact OD1-CA 3.42Å; D43-G45 PolarHBondContact OD1-N 3.35Å; G45-S54 WeakPolarHBondContact CA-O 3.23Å; G45-S54 WeakPolarHBondContact O-CB 3.47Å; G45-S54 PolarHBondContact O-N 2.86Å
46	G	87	Confident	91.9	Very high	34 Å²	34	50.1 Å²	50.1	35%	0.351	30%	0.301	S	S	.	.			trans	-76	169.9	173.6	0	0	0	0	0	113.1	D51 G52	G46-D51 CarbonylContact C-O 3.28Å; G46-D51 VanDerWaalsContact CA-O 3.26Å; G46-D51 WeakPolarHBondContact CA-O 3.35Å; G46-G52 WeakPolarHBondContact CA-O 3.44Å
47	T	87.7	Confident	91.6	Very high	69 Å²	69	50.3 Å²	50.3	42%	0.423	30%	0.3	S	S	.	.			trans	-69.7	171.5	172.1	62.2	0	0	0	0	111.6	S49 G50 D51	T47-S49 PolarHBondContact O-N 3.49Å; T47-S49 VanDerWaalsContact O-N 3.09Å; T47-S49 PolarHBondContact OG1-N 3.11Å; T47-S49 PolarHBondContact OG1-OG 3.4Å; T47-G50 WeakPolarHBondContact O-CA 3.31Å; T47-G50 PolarHBondContact O-N 2.94Å; T47-G50 PolarHBondContact OG1-N 3.45Å; T47-D51 PolarHBondContact N-O 3.01Å; T47-D51 PolarHBondContact OG1-N 3.19Å; T47-D51 VanDerWaalsContact OG1-N 3.09Å; T47-D51 PolarHBondContact OG1-O 3.17Å
48	H	84.4	Confident	91.5	Very high	130 Å²	130	50.1 Å²	50.1	60%	0.602	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.1	171.8	70.3	-82.4	0	0	0	113.5	I105 L106	H48-I105 CarbonylContact O-C 3.55Å; H48-I105 VanDerWaalsContact O-CA 3.28Å; H48-I105 WeakPolarHBondContact O-CA 3.38Å; H48-I105 WeakPolarHBondContact O-CB 3.39Å; H48-L106 PolarHBondContact O-N 3.37Å
49	S	84.9	Confident	91.5	Very high	22 Å²	22	49.8 Å²	49.8	15%	0.154	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.2	172.3	53.2	0	0	0	0	113.3	T47 D51 L106 R107	T47-S49 PolarHBondContact O-N 3.49Å; T47-S49 VanDerWaalsContact O-N 3.09Å; T47-S49 PolarHBondContact OG1-N 3.11Å; T47-S49 PolarHBondContact OG1-OG 3.4Å; S49-D51 WeakPolarHBondContact CB-OD2 3.09Å; S49-D51 PolarHBondContact OG-OD2 3.45Å; S49-L106 WeakPolarHBondContact CA-O 3.36Å; S49-R107 PolarHBondContact O-NE 3.16Å; S49-R107 PolarHBondContact O-NH2 3.26Å
50	G	83.4	Confident	91.5	Very high	27 Å²	27	53.9 Å²	53.9	28%	0.278	32%	0.32	S	S	.	.	S	Bend	trans	83.6	19.9	-177.5	0	0	0	0	0	114.5	T47	T47-G50 WeakPolarHBondContact O-CA 3.31Å; T47-G50 PolarHBondContact O-N 2.94Å; T47-G50 PolarHBondContact OG1-N 3.45Å
51	D	86.5	Confident	91.4	Very high	81 Å²	81	53.9 Å²	53.9	43%	0.433	32%	0.32	S	S	.	.			trans	-92	141.2	175.6	-56.6	-60.4	0	0	0	110.9	G46 T47 S49 R107	G46-D51 CarbonylContact C-O 3.28Å; G46-D51 VanDerWaalsContact CA-O 3.26Å; G46-D51 WeakPolarHBondContact CA-O 3.35Å; T47-D51 PolarHBondContact N-O 3.01Å; T47-D51 PolarHBondContact OG1-N 3.19Å; T47-D51 VanDerWaalsContact OG1-N 3.09Å; T47-D51 PolarHBondContact OG1-O 3.17Å; S49-D51 WeakPolarHBondContact CB-OD2 3.09Å; S49-D51 PolarHBondContact OG-OD2 3.45Å; D51-R107 IonicContact OD1-CZ 2.88Å; D51-R107 IonicContact OD1-NH2 3.53Å; D51-R107 PolarHBondContact OD1-NH2 3.08Å; D51-R107 IonicContact OD2-CZ 3.83Å; D51-R107 IonicContact OD2-NH2 3.8Å; D51-R107 PolarHBondContact OD2-NH2 3.38Å
52	G	87.3	Confident	91.4	Very high	60 Å²	60	54 Å²	54	62%	0.619	32%	0.321	S	S	*	.			trans	77.4	-179	176	0	0	0	0	0	114.9	G46	G46-G52 WeakPolarHBondContact CA-O 3.44Å
53	A	85	Confident	91.4	Very high	76 Å²	76	57.5 Å²	57.5	63%	0.628	34%	0.34	S	S	*	.			trans	-151.3	146.8	176	0	0	0	0	0	109.9	L44	L44-A53 HydrophobicContact CD1-CB 4.25Å; L44-A53 HydrophobicContact CG-CB 4.18Å; L44-A53 CarbonylContact O-C 3.51Å; L44-A53 WeakPolarHBondContact O-CA 3.44Å; L44-A53 WeakPolarHBondContact O-CB 3.43Å
54	S	88.4	Confident	91.5	Very high	53 Å²	53	59.5 Å²	59.5	37%	0.371	35%	0.348	S	S	.	.			trans	-155.1	116.8	179.5	-168.4	0	0	0	0	111.8	L44 G45 R56 A57	L44-S54 PolarHBondContact O-N 3.18Å; G45-S54 WeakPolarHBondContact CA-O 3.23Å; G45-S54 WeakPolarHBondContact O-CB 3.47Å; G45-S54 PolarHBondContact O-N 2.86Å; S54-R56 PolarHBondContact O-N 3.34Å; S54-A57 PolarHBondContact O-N 3.09Å
55	Q	91.3	Very high	91.8	Very high	118 Å²	118	56 Å²	56	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-58.9	-30.7	174.7	-65.2	-178.6	-12.4	0	0	112.3	A57 A58 D59 Y76	Q55-A57 PolarHBondContact O-N 2.77Å; Q55-A57 VanDerWaalsContact O-N 3.08Å; Q55-A58 PolarHBondContact O-N 3.04Å; Q55-A58 VanDerWaalsContact O-N 3.17Å; Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 2.62Å; Q55-D59 VanDerWaalsContact O-N 3.11Å; Q55-Y76 HydrophobicContact CB-CD1 3.82Å; Q55-Y76 HydrophobicContact CB-CE1 3.53Å; Q55-Y76 HydrophobicContact CB-CG 4.41Å; Q55-Y76 HydrophobicContact CG-CD1 3.74Å; Q55-Y76 HydrophobicContact CG-CD2 4.02Å; Q55-Y76 HydrophobicContact CG-CE1 3.83Å; Q55-Y76 HydrophobicContact CG-CE2 4.13Å; Q55-Y76 HydrophobicContact CG-CG 3.82Å
56	R	93.5	Very high	92.2	Very high	179 Å²	179	61.4 Å²	61.4	68%	0.675	35%	0.345	S	S	*	.	H	α-helix	trans	-56	-31.2	-176.4	-171.6	175.1	-178.8	177.2	1.1	113.6	S54 I60	S54-R56 PolarHBondContact O-N 3.34Å; R56-I60 HydrophobicContact CG-CD1 3.75Å; R56-I60 HydrophobicContact CG-CG1 4.12Å; R56-I60 WeakPolarHBondContact O-CD1 3.35Å; R56-I60 VanDerWaalsContact O-CG1 3.24Å; R56-I60 WeakPolarHBondContact O-CG1 3.36Å; R56-I60 PolarHBondContact O-N 2.77Å; R56-I60 VanDerWaalsContact O-N 3.12Å
57	A	92.7	Very high	92.8	Very high	26 Å²	26	68.3 Å²	68.3	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-48.3	-179.5	0	0	0	0	0	111.5	G21 D43 S54 Q55	G21-A57 VanDerWaalsContact CA-O 3.23Å; G21-A57 WeakPolarHBondContact CA-O 3.33Å; D43-A57 HydrophobicContact CB-CB 4.36Å; S54-A57 PolarHBondContact O-N 3.09Å; Q55-A57 PolarHBondContact O-N 2.77Å; Q55-A57 VanDerWaalsContact O-N 3.08Å
58	A	97.1	Very high	93.3	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-71.8	-41.2	176.3	0	0	0	0	0	111.8	V41 D43 Q55 I60 V61 V62 A74 Y76	V41-A58 HydrophobicContact CG1-CB 3.99Å; D43-A58 HydrophobicContact CB-CB 4.16Å; Q55-A58 PolarHBondContact O-N 3.04Å; Q55-A58 VanDerWaalsContact O-N 3.17Å; A58-I60 PolarHBondContact O-N 3.31Å; A58-V61 PolarHBondContact O-N 2.9Å; A58-V62 WeakPolarHBondContact O-CG2 3.5Å; A58-V62 PolarHBondContact O-N 3.45Å; A58-A74 HydrophobicContact CB-CB 3.9Å; A58-Y76 HydrophobicContact CB-CD1 4.25Å; A58-Y76 HydrophobicContact CB-CE1 4.09Å
59	D	98.1	Very high	93.9	Very high	51 Å²	51	66.5 Å²	66.5	27%	0.273	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-41.8	-176.1	-65.6	-23.7	0	0	0	112.9	Q55 V61 V62 D63 A74 Y76	Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 2.62Å; Q55-D59 VanDerWaalsContact O-N 3.11Å; D59-V61 VanDerWaalsContact C-N 3.27Å; D59-V61 PolarHBondContact O-N 3.26Å; D59-V62 PolarHBondContact O-N 3.33Å; D59-D63 WeakPolarHBondContact O-CB 2.95Å; D59-D63 PolarHBondContact O-N 2.88Å; D59-A74 WeakPolarHBondContact OD1-CB 3.28Å; D59-Y76 WeakPolarHBondContact OD1-CE1 3.23Å; D59-Y76 PolarHBondContact OD1-OH 2.96Å
60	I	97.8	Very high	94.6	Very high	85 Å²	85	66.5 Å²	66.5	44%	0.436	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-43.7	178.6	-73.9	168.2	0	0	0	111	R56 A58 E64	R56-I60 HydrophobicContact CG-CD1 3.75Å; R56-I60 HydrophobicContact CG-CG1 4.12Å; R56-I60 WeakPolarHBondContact O-CD1 3.35Å; R56-I60 VanDerWaalsContact O-CG1 3.24Å; R56-I60 WeakPolarHBondContact O-CG1 3.36Å; R56-I60 PolarHBondContact O-N 2.77Å; R56-I60 VanDerWaalsContact O-N 3.12Å; A58-I60 PolarHBondContact O-N 3.31Å; I60-E64 WeakPolarHBondContact O-CB 3.41Å; I60-E64 PolarHBondContact O-N 3.37Å
61	V	98.4	Very high	95.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-73.7	-38.5	-177.8	-179.5	0	0	0	0	110.8	R26 A29 L30 V41 A58 D59 E64 I65	R26-V61 HydrophobicContact CB-CG2 4.33Å; R26-V61 HydrophobicContact CG-CG1 4.19Å; R26-V61 HydrophobicContact CG-CG2 3.78Å; A29-V61 HydrophobicContact CB-CG1 4.28Å; L30-V61 HydrophobicContact CD2-CG1 4.47Å; V41-V61 HydrophobicContact CG1-CB 4.01Å; V41-V61 HydrophobicContact CG1-CG1 4.17Å; V41-V61 HydrophobicContact CG2-CG1 4.09Å; A58-V61 PolarHBondContact O-N 2.9Å; D59-V61 VanDerWaalsContact C-N 3.27Å; D59-V61 PolarHBondContact O-N 3.26Å; V61-E64 PolarHBondContact O-N 2.92Å; V61-I65 HydrophobicContact CG1-CD1 4.13Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.82Å
62	V	98.8	Very high	95.9	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.018	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-45	174	170.2	0	0	0	0	111.4	V41 A58 D59 E64 I65 R66 A72 A74	V41-V62 HydrophobicContact CB-CG2 3.76Å; V41-V62 HydrophobicContact CG1-CG2 4.49Å; V41-V62 HydrophobicContact CG2-CG2 3.67Å; A58-V62 WeakPolarHBondContact O-CG2 3.5Å; A58-V62 PolarHBondContact O-N 3.45Å; D59-V62 PolarHBondContact O-N 3.33Å; V62-E64 VanDerWaalsContact C-N 3.32Å; V62-E64 PolarHBondContact O-N 3.01Å; V62-I65 PolarHBondContact O-N 3.19Å; V62-R66 HydrophobicContact CG1-CG 4.45Å; V62-R66 VanDerWaalsContact CG1-CZ 3.48Å; V62-R66 WeakPolarHBondContact O-CB 3.41Å; V62-R66 WeakPolarHBondContact O-CG 3.32Å; V62-R66 PolarHBondContact O-N 2.89Å; V62-A72 HydrophobicContact CB-CB 4.46Å; V62-A72 HydrophobicContact CG1-CB 4.18Å; V62-A72 HydrophobicContact CG2-CB 4.21Å; V62-A74 HydrophobicContact CG2-CB 3.95Å
63	D	98.6	Very high	96.4	Very high	76 Å²	76	65 Å²	65	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-39.3	177.4	-79.4	-10.4	0	0	0	111.7	D59 R66 K67	D59-D63 WeakPolarHBondContact O-CB 2.95Å; D59-D63 PolarHBondContact O-N 2.88Å; D63-R66 PolarHBondContact O-N 2.97Å; D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.38Å; D63-K67 WeakPolarHBondContact O-CD 3.42Å; D63-K67 WeakPolarHBondContact O-CG 3.15Å; D63-K67 PolarHBondContact O-N 3.04Å
64	E	98.6	Very high	97.1	Very high	68 Å²	68	62.4 Å²	62.4	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-46.2	175.3	-173.6	174.3	170.4	0	0	112	R26 L30 I60 V61 V62 R66 K67 A68	R26-E64 IonicContact CZ-OE1 3.33Å; R26-E64 IonicContact CZ-OE2 3.99Å; R26-E64 IonicContact NE-OE2 3.61Å; R26-E64 IonicContact NH2-OE1 2.85Å; R26-E64 PolarHBondContact NH2-OE1 2.83Å; R26-E64 IonicContact NH2-OE2 2.77Å; R26-E64 PolarHBondContact NH2-OE2 3.32Å; L30-E64 HydrophobicContact CD2-CB 4.36Å; L30-E64 HydrophobicContact CD2-CG 3.92Å; I60-E64 WeakPolarHBondContact O-CB 3.41Å; I60-E64 PolarHBondContact O-N 3.37Å; V61-E64 PolarHBondContact O-N 2.92Å; V62-E64 VanDerWaalsContact C-N 3.32Å; V62-E64 PolarHBondContact O-N 3.01Å; E64-R66 PolarHBondContact O-N 3.09Å; E64-K67 PolarHBondContact O-N 3.44Å; E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.28Å
65	I	98.8	Very high	97.6	Very high	2 Å²	2	60 Å²	60	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-48.5	175.1	-71.1	168.8	0	0	0	110.7	A29 L30 A33 V39 V41 V61 V62 A68 G69 G70 A72	A29-I65 HydrophobicContact CB-CD1 4.31Å; L30-I65 HydrophobicContact CD2-CG1 3.77Å; A33-I65 HydrophobicContact CB-CB 4.28Å; A33-I65 HydrophobicContact CB-CD1 4.07Å; A33-I65 HydrophobicContact CB-CG1 3.89Å; A33-I65 HydrophobicContact CB-CG2 3.48Å; A33-I65 VanDerWaalsContact CB-CG2 3.48Å; V39-I65 HydrophobicContact CB-CD1 4.3Å; V39-I65 HydrophobicContact CG1-CD1 4.38Å; V41-I65 HydrophobicContact CG2-CD1 4.03Å; V61-I65 HydrophobicContact CG1-CD1 4.13Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.82Å; V62-I65 PolarHBondContact O-N 3.19Å; I65-A68 CarbonylContact O-C 3.56Å; I65-A68 PolarHBondContact O-N 3.37Å; I65-G69 PolarHBondContact O-N 3.4Å; I65-G70 PolarHBondContact O-N 2.57Å; I65-A72 HydrophobicContact CB-CB 3.99Å; I65-A72 HydrophobicContact CD1-CB 3.89Å; I65-A72 HydrophobicContact CG2-CB 3.66Å
66	R	98.6	Very high	97.8	Very high	130 Å²	130	58.3 Å²	58.3	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-65.8	-39.5	-179.3	-72.2	172.4	177.7	174.2	-3.1	112.3	V62 D63 E64 A68 G69 G70 A72	V62-R66 HydrophobicContact CG1-CG 4.45Å; V62-R66 VanDerWaalsContact CG1-CZ 3.48Å; V62-R66 WeakPolarHBondContact O-CB 3.41Å; V62-R66 WeakPolarHBondContact O-CG 3.32Å; V62-R66 PolarHBondContact O-N 2.89Å; D63-R66 PolarHBondContact O-N 2.97Å; E64-R66 PolarHBondContact O-N 3.09Å; R66-A68 PolarHBondContact O-N 3.26Å; R66-G69 PolarHBondContact O-N 3.08Å; R66-G70 WeakPolarHBondContact CA-O 3.25Å; R66-A72 VanDerWaalsContact CZ-O 3.22Å; R66-A72 PolarHBondContact NE-O 3.08Å; R66-A72 PolarHBondContact NH2-O 2.61Å
67	K	98.4	Very high	98	Very high	178 Å²	178	52.1 Å²	52.1	77%	0.774	29%	0.291	S	S	*	.	H	α-helix	trans	-62.6	-32.5	173.9	-77.1	167.9	-174.4	168.8	0	112.2	D63 E64 G69	D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.38Å; D63-K67 WeakPolarHBondContact O-CD 3.42Å; D63-K67 WeakPolarHBondContact O-CG 3.15Å; D63-K67 PolarHBondContact O-N 3.04Å; E64-K67 PolarHBondContact O-N 3.44Å; K67-G69 PolarHBondContact O-N 3.27Å
68	A	98.2	Very high	98.2	Very high	92 Å²	92	52.4 Å²	52.4	76%	0.76	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	1.3	173.3	0	0	0	0	0	113.8	E64 I65 R66	E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.28Å; I65-A68 CarbonylContact O-C 3.56Å; I65-A68 PolarHBondContact O-N 3.37Å; R66-A68 PolarHBondContact O-N 3.26Å
69	G	98.1	Very high	98.3	Very high	70 Å²	70	52.8 Å²	52.8	72%	0.722	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	6.7	178.3	0	0	0	0	0	115.3	I65 R66 K67	I65-G69 PolarHBondContact O-N 3.4Å; R66-G69 PolarHBondContact O-N 3.08Å; K67-G69 PolarHBondContact O-N 3.27Å
70	G	98.4	Very high	98.3	Very high	21 Å²	21	52.7 Å²	52.7	22%	0.216	29%	0.293	C	S	.	.			trans	-84.6	168	175.6	0	0	0	0	0	113.8	I65 R66	I65-G70 PolarHBondContact O-N 2.57Å; R66-G70 WeakPolarHBondContact CA-O 3.25Å
71	E	98.7	Very high	98.3	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.481	29%	0.291	S	S	.	.			trans	-103.7	118.5	175.5	-72.2	-179.7	-105.6	0	0	110.4	K38 V39	K38-E71 WeakPolarHBondContact CA-O 3.41Å; K38-E71 HydrophobicContact CB-CB 4.42Å; K38-E71 VanDerWaalsContact CE-OE1 3.23Å; K38-E71 WeakPolarHBondContact CE-OE1 2.99Å; K38-E71 VanDerWaalsContact CE-OE2 3.31Å; K38-E71 WeakPolarHBondContact CE-OE2 3.43Å; K38-E71 HydrophobicContact CG-CB 4.06Å; K38-E71 IonicContact NZ-OE1 2.88Å; K38-E71 PolarHBondContact NZ-OE1 2.82Å; K38-E71 IonicContact NZ-OE2 3.83Å; K38-E71 PolarHBondContact NZ-OE2 3.46Å; V39-E71 PolarHBondContact N-O 2.83Å
72	A	98.8	Very high	98.3	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.033	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.5	175.5	0	0	0	0	0	113.5	V39 V62 I65 R66	V39-A72 HydrophobicContact CB-CB 4.32Å; V39-A72 CarbonylContact O-C 3.55Å; V39-A72 WeakPolarHBondContact O-CA 3.38Å; V39-A72 WeakPolarHBondContact O-CB 3.5Å; V62-A72 HydrophobicContact CB-CB 4.46Å; V62-A72 HydrophobicContact CG1-CB 4.18Å; V62-A72 HydrophobicContact CG2-CB 4.21Å; I65-A72 HydrophobicContact CB-CB 3.99Å; I65-A72 HydrophobicContact CD1-CB 3.89Å; I65-A72 HydrophobicContact CG2-CB 3.66Å; R66-A72 VanDerWaalsContact CZ-O 3.22Å; R66-A72 PolarHBondContact NE-O 3.08Å; R66-A72 PolarHBondContact NH2-O 2.61Å
73	V	98.7	Very high	98.3	Very high	30 Å²	30	55.3 Å²	55.3	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.1	169.9	-62.1	0	0	0	0	110.2	V39 V40 V41 T88 A92 F93	V39-V73 PolarHBondContact O-N 3.34Å; V40-V73 WeakPolarHBondContact CA-O 3.37Å; V40-V73 HydrophobicContact CB-CG2 4.43Å; V40-V73 HydrophobicContact CG1-CG2 4.43Å; V40-V73 HydrophobicContact CG2-CG2 3.85Å; V41-V73 PolarHBondContact N-O 2.7Å; V73-T88 HydrophobicContact CG2-CG2 3.96Å; V73-A92 HydrophobicContact CB-CB 4.4Å; V73-A92 HydrophobicContact CG1-CB 3.87Å; V73-A92 HydrophobicContact CG2-CB 3.75Å; V73-F93 HydrophobicContact CB-CZ 4.49Å; V73-F93 HydrophobicContact CG1-CE1 4.45Å; V73-F93 HydrophobicContact CG1-CZ 3.92Å; V73-F93 HydrophobicContact CG2-CE2 3.81Å; V73-F93 HydrophobicContact CG2-CZ 4.04Å
74	A	98.6	Very high	98.3	Very high	22 Å²	22	56.1 Å²	56.1	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	145	176.3	0	0	0	0	0	110.3	A58 D59 V62 Y76	A58-A74 HydrophobicContact CB-CB 3.9Å; D59-A74 WeakPolarHBondContact OD1-CB 3.28Å; V62-A74 HydrophobicContact CG2-CB 3.95Å; A74-Y76 HydrophobicContact CB-CD1 4.47Å; A74-Y76 HydrophobicContact CB-CE1 3.59Å; A74-Y76 WeakPolarHBondContact CB-OH 3.42Å
75	D	98.6	Very high	98.3	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.011	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.5	168	-178.6	79.9	0	0	0	109.6	V40 V41 N42 D43 N77 T88	V40-D75 HydrophobicContact CG1-CB 3.75Å; V41-D75 PolarHBondContact O-N 3.14Å; N42-D75 VanDerWaalsContact CA-O 3.31Å; N42-D75 WeakPolarHBondContact CA-O 3.41Å; N42-D75 HydrophobicContact CB-CB 4.11Å; N42-D75 PolarHBondContact ND2-OD2 2.91Å; D43-D75 PolarHBondContact N-O 2.77Å; D75-N77 PolarHBondContact OD1-ND2 2.9Å; D75-N77 WeakPolarHBondContact OD2-CB 3.46Å; D75-N77 PolarHBondContact OD2-N 3.46Å; D75-N77 VanDerWaalsContact OD2-N 3.14Å; D75-T88 HydrophobicContact CB-CG2 3.98Å; D75-T88 WeakPolarHBondContact OD1-CB 3.34Å; D75-T88 PolarHBondContact OD1-OG1 3.04Å
76	Y	97.3	Very high	98.3	Very high	83 Å²	83	52.9 Å²	52.9	33%	0.325	30%	0.302	S	S	.	.			trans	-110.6	9.2	-174.8	-41.2	-65.6	0	0	0	112.6	L44 Q55 A58 D59 A74	L44-Y76 WeakPolarHBondContact CD1-O 3.39Å; Q55-Y76 HydrophobicContact CB-CD1 3.82Å; Q55-Y76 HydrophobicContact CB-CE1 3.53Å; Q55-Y76 HydrophobicContact CB-CG 4.41Å; Q55-Y76 HydrophobicContact CG-CD1 3.74Å; Q55-Y76 HydrophobicContact CG-CD2 4.02Å; Q55-Y76 HydrophobicContact CG-CE1 3.83Å; Q55-Y76 HydrophobicContact CG-CE2 4.13Å; Q55-Y76 HydrophobicContact CG-CG 3.82Å; A58-Y76 HydrophobicContact CB-CD1 4.25Å; A58-Y76 HydrophobicContact CB-CE1 4.09Å; D59-Y76 WeakPolarHBondContact OD1-CE1 3.23Å; D59-Y76 PolarHBondContact OD1-OH 2.96Å; A74-Y76 HydrophobicContact CB-CD1 4.47Å; A74-Y76 HydrophobicContact CB-CE1 3.59Å; A74-Y76 WeakPolarHBondContact CB-OH 3.42Å
77	N	97.4	Very high	98.3	Very high	48 Å²	48	51 Å²	51	26%	0.257	30%	0.299	S	S	.	.			trans	-76.7	148.2	-176.7	-67.6	-71.8	0	0	0	110.5	N42 D75 K84 V85	N42-N77 PolarHBondContact ND2-O 3.3Å; D75-N77 PolarHBondContact OD1-ND2 2.9Å; D75-N77 WeakPolarHBondContact OD2-CB 3.46Å; D75-N77 PolarHBondContact OD2-N 3.46Å; D75-N77 VanDerWaalsContact OD2-N 3.14Å; N77-K84 HydrophobicContact CB-CB 4.05Å; N77-K84 WeakPolarHBondContact OD1-CD 3.3Å; N77-V85 HydrophobicContact CB-CG2 3.92Å
78	S	97	Very high	98.3	Very high	32 Å²	32	44 Å²	44	22%	0.224	27%	0.271	C	S	.	.			trans	-64.3	140.6	168	176.5	0	0	0	0	109.9	I80 D81	S78-I80 PolarHBondContact O-N 3.32Å; S78-I80 VanDerWaalsContact O-N 3.14Å; S78-I80 PolarHBondContact OG-N 2.85Å; S78-D81 CarbonylContact O-C 3.57Å; S78-D81 WeakPolarHBondContact O-CA 3.43Å; S78-D81 WeakPolarHBondContact O-CB 3.1Å; S78-D81 PolarHBondContact O-N 2.97Å
79	V	98.3	Very high	98.4	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.9	-21.4	175	-67.9	0	0	0	0	113.3	T18 D81 G82 A103 V125 G129	T18-V79 HydrophobicContact CG2-CG1 3.81Å; V79-D81 PolarHBondContact O-N 3.25Å; V79-G82 WeakPolarHBondContact O-CA 3.48Å; V79-G82 PolarHBondContact O-N 2.95Å; V79-G82 VanDerWaalsContact O-N 3.13Å; V79-A103 HydrophobicContact CG1-CB 3.75Å; V79-A103 HydrophobicContact CG2-CB 4.34Å; V79-V125 HydrophobicContact CG2-CG1 4.37Å; V79-V125 WeakPolarHBondContact CG2-O 3.39Å; V79-G129 WeakPolarHBondContact O-CA 3.44Å
80	I	97.8	Very high	98.4	Very high	48 Å²	48	38.1 Å²	38.1	25%	0.246	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.7	-31.1	172.7	-56.5	165.3	0	0	0	110.5	S78 G82 D124 K128	S78-I80 PolarHBondContact O-N 3.32Å; S78-I80 VanDerWaalsContact O-N 3.14Å; S78-I80 PolarHBondContact OG-N 2.85Å; I80-G82 PolarHBondContact O-N 3.02Å; I80-D124 HydrophobicContact CD1-CB 3.7Å; I80-D124 HydrophobicContact CG1-CB 4.2Å; I80-K128 HydrophobicContact CG2-CD 4.4Å
81	D	98.2	Very high	98.4	Very high	73 Å²	73	44.4 Å²	44.4	39%	0.39	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-88.3	42.8	170.3	-73.4	-21	0	0	0	111.2	S78 V79 A83 K84 V85	S78-D81 CarbonylContact O-C 3.57Å; S78-D81 WeakPolarHBondContact O-CA 3.43Å; S78-D81 WeakPolarHBondContact O-CB 3.1Å; S78-D81 PolarHBondContact O-N 2.97Å; V79-D81 PolarHBondContact O-N 3.25Å; D81-A83 PolarHBondContact O-N 2.96Å; D81-K84 HydrophobicContact CB-CB 4.44Å; D81-K84 HydrophobicContact CB-CD 3.98Å; D81-K84 HydrophobicContact CB-CG 4.27Å; D81-K84 WeakPolarHBondContact O-CB 3.31Å; D81-K84 PolarHBondContact O-N 2.95Å; D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 2.97Å; D81-V85 PolarHBondContact O-N 3.38Å
82	G	98.5	Very high	98.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-52.4	-26.6	-171.1	0	0	0	0	0	115.5	V79 I80 K84 V85 I86 C133	V79-G82 WeakPolarHBondContact O-CA 3.48Å; V79-G82 PolarHBondContact O-N 2.95Å; V79-G82 VanDerWaalsContact O-N 3.13Å; I80-G82 PolarHBondContact O-N 3.02Å; G82-K84 PolarHBondContact O-N 3.2Å; G82-V85 PolarHBondContact O-N 3.33Å; G82-I86 WeakPolarHBondContact O-CG1 3.43Å; G82-I86 PolarHBondContact O-N 3.37Å; G82-C133 VanDerWaalsContact CA-SG 3.59Å
83	A	98.8	Very high	98.4	Very high	70 Å²	70	43.3 Å²	43.3	58%	0.579	23%	0.233	S	C	*	.	H	α-helix	trans	-59.8	-40.7	171.9	0	0	0	0	0	113.2	D81 E87 A136	D81-A83 PolarHBondContact O-N 2.96Å; A83-E87 VanDerWaalsContact O-CB 3.27Å; A83-E87 WeakPolarHBondContact O-CB 3.37Å; A83-E87 PolarHBondContact O-N 3.37Å; A83-A136 HydrophobicContact CB-CB 4.35Å
84	K	98.8	Very high	98.4	Very high	93 Å²	93	44.6 Å²	44.6	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-69	-39.4	177.1	-61.9	-179.1	-171.9	157.7	0	111.4	N77 D81 G82 I86 E87 T88	N77-K84 HydrophobicContact CB-CB 4.05Å; N77-K84 WeakPolarHBondContact OD1-CD 3.3Å; D81-K84 HydrophobicContact CB-CB 4.44Å; D81-K84 HydrophobicContact CB-CD 3.98Å; D81-K84 HydrophobicContact CB-CG 4.27Å; D81-K84 WeakPolarHBondContact O-CB 3.31Å; D81-K84 PolarHBondContact O-N 2.95Å; D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 2.97Å; G82-K84 PolarHBondContact O-N 3.2Å; K84-I86 VanDerWaalsContact C-N 3.35Å; K84-I86 PolarHBondContact O-N 3.21Å; K84-E87 WeakPolarHBondContact O-CB 3.33Å; K84-E87 PolarHBondContact O-N 2.81Å; K84-T88 PolarHBondContact O-N 3.13Å; K84-T88 VanDerWaalsContact O-N 3.08Å; K84-T88 PolarHBondContact O-OG1 3.03Å
85	V	98.8	Very high	98.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-47.5	176	-177.6	0	0	0	0	110.5	V16 T18 N42 N77 D81 G82 T88	V16-V85 HydrophobicContact CG1-CG1 3.89Å; T18-V85 HydrophobicContact CG2-CG1 4.45Å; N42-V85 HydrophobicContact CB-CG1 3.97Å; N77-V85 HydrophobicContact CB-CG2 3.92Å; D81-V85 PolarHBondContact O-N 3.38Å; G82-V85 PolarHBondContact O-N 3.33Å; V85-T88 WeakPolarHBondContact O-CB 3.35Å; V85-T88 PolarHBondContact O-N 2.76Å
86	I	98.9	Very high	98.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-36.2	177.7	-60.8	-50.8	0	0	0	111.6	V16 G82 K84 T88 A89 I90 V96 L99 A136 A137 Y140	V16-I86 HydrophobicContact CG1-CD1 4.38Å; V16-I86 HydrophobicContact CG2-CD1 4.35Å; G82-I86 WeakPolarHBondContact O-CG1 3.43Å; G82-I86 PolarHBondContact O-N 3.37Å; K84-I86 VanDerWaalsContact C-N 3.35Å; K84-I86 PolarHBondContact O-N 3.21Å; I86-T88 PolarHBondContact O-N 3.47Å; I86-A89 WeakPolarHBondContact O-CB 3.44Å; I86-A89 PolarHBondContact O-N 3.2Å; I86-I90 HydrophobicContact CG2-CG1 4.32Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 2.86Å; I86-I90 VanDerWaalsContact O-N 3.09Å; I86-V96 HydrophobicContact CG2-CG1 4.18Å; I86-L99 HydrophobicContact CD1-CD1 4.32Å; I86-A136 HydrophobicContact CB-CB 4Å; I86-A136 HydrophobicContact CG1-CB 3.68Å; I86-A137 HydrophobicContact CD1-CB 3.83Å; I86-A137 HydrophobicContact CG1-CB 4.07Å; I86-Y140 HydrophobicContact CG2-CD2 4.13Å; I86-Y140 HydrophobicContact CG2-CE2 4.08Å
87	E	98.8	Very high	98.5	Very high	89 Å²	89	43.4 Å²	43.4	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-57.6	-36	175.4	-169.6	-175.8	-162.4	0	0	112	A83 K84 A89 I90 K91	A83-E87 VanDerWaalsContact O-CB 3.27Å; A83-E87 WeakPolarHBondContact O-CB 3.37Å; A83-E87 PolarHBondContact O-N 3.37Å; K84-E87 WeakPolarHBondContact O-CB 3.33Å; K84-E87 PolarHBondContact O-N 2.81Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 2.97Å; E87-I90 PolarHBondContact O-N 3.45Å; E87-K91 VanDerWaalsContact CD-CE 3.41Å; E87-K91 HydrophobicContact CG-CD 3.98Å; E87-K91 HydrophobicContact CG-CG 4.23Å; E87-K91 WeakPolarHBondContact O-CB 3.35Å; E87-K91 WeakPolarHBondContact O-CG 3.16Å; E87-K91 PolarHBondContact O-N 2.85Å; E87-K91 WeakPolarHBondContact OE1-CE 3.29Å; E87-K91 IonicContact OE1-NZ 3.37Å; E87-K91 PolarHBondContact OE1-NZ 3.37Å; E87-K91 IonicContact OE2-NZ 2.75Å; E87-K91 PolarHBondContact OE2-NZ 3.38Å
88	T	98.8	Very high	98.6	Very high	31 Å²	31	41.1 Å²	41.1	19%	0.19	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-42.6	173.7	-62.8	0	0	0	0	112.2	V40 V73 D75 K84 V85 I86 A92	V40-T88 HydrophobicContact CG1-CG2 3.99Å; V73-T88 HydrophobicContact CG2-CG2 3.96Å; D75-T88 HydrophobicContact CB-CG2 3.98Å; D75-T88 WeakPolarHBondContact OD1-CB 3.34Å; D75-T88 PolarHBondContact OD1-OG1 3.04Å; K84-T88 PolarHBondContact O-N 3.13Å; K84-T88 VanDerWaalsContact O-N 3.08Å; K84-T88 PolarHBondContact O-OG1 3.03Å; V85-T88 WeakPolarHBondContact O-CB 3.35Å; V85-T88 PolarHBondContact O-N 2.76Å; I86-T88 PolarHBondContact O-N 3.47Å; T88-A92 VanDerWaalsContact O-CB 3.26Å; T88-A92 WeakPolarHBondContact O-CB 3.49Å; T88-A92 PolarHBondContact O-N 3.07Å
89	A	98.8	Very high	98.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-43.8	175.6	0	0	0	0	0	112.1	V14 V16 V40 I86 E87 F93 G94 V96	V14-A89 HydrophobicContact CG1-CB 4.18Å; V16-A89 HydrophobicContact CG2-CB 3.64Å; V40-A89 HydrophobicContact CG2-CB 3.69Å; I86-A89 WeakPolarHBondContact O-CB 3.44Å; I86-A89 PolarHBondContact O-N 3.2Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 2.97Å; A89-F93 WeakPolarHBondContact O-CA 3.38Å; A89-F93 PolarHBondContact O-N 2.84Å; A89-G94 PolarHBondContact O-N 2.88Å; A89-V96 HydrophobicContact CB-CB 4.43Å
90	I	98.8	Very high	98.7	Very high	39 Å²	39	39.2 Å²	39.2	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-43.7	179.8	-59.5	-55.6	0	0	0	111.2	I86 E87 G94 V96 Y140	I86-I90 HydrophobicContact CG2-CG1 4.32Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 2.86Å; I86-I90 VanDerWaalsContact O-N 3.09Å; E87-I90 PolarHBondContact O-N 3.45Å; I90-G94 WeakPolarHBondContact O-CA 3.26Å; I90-G94 PolarHBondContact O-N 3.41Å; I90-V96 HydrophobicContact CD1-CG1 4.36Å; I90-Y140 HydrophobicContact CD1-CD1 3.67Å; I90-Y140 HydrophobicContact CD1-CD2 4.18Å; I90-Y140 HydrophobicContact CD1-CE1 3.75Å; I90-Y140 HydrophobicContact CD1-CE2 4.25Å; I90-Y140 HydrophobicContact CD1-CG 3.9Å; I90-Y140 HydrophobicContact CG1-CD1 4.34Å; I90-Y140 HydrophobicContact CG1-CD2 4.44Å; I90-Y140 HydrophobicContact CG1-CE1 3.94Å; I90-Y140 HydrophobicContact CG1-CE2 4.05Å; I90-Y140 HydrophobicContact CG2-CE1 4.44Å
91	K	98.7	Very high	98.7	Very high	153 Å²	153	37 Å²	37	67%	0.665	21%	0.206	S	C	*	.	H	α-helix	trans	-66.6	-41.3	178.4	-75.8	176.5	178.2	162.1	0	112.6	E87	E87-K91 VanDerWaalsContact CD-CE 3.41Å; E87-K91 HydrophobicContact CG-CD 3.98Å; E87-K91 HydrophobicContact CG-CG 4.23Å; E87-K91 WeakPolarHBondContact O-CB 3.35Å; E87-K91 WeakPolarHBondContact O-CG 3.16Å; E87-K91 PolarHBondContact O-N 2.85Å; E87-K91 WeakPolarHBondContact OE1-CE 3.29Å; E87-K91 IonicContact OE1-NZ 3.37Å; E87-K91 PolarHBondContact OE1-NZ 3.37Å; E87-K91 IonicContact OE2-NZ 2.75Å; E87-K91 PolarHBondContact OE2-NZ 3.38Å
92	A	98.6	Very high	98.8	Very high	46 Å²	46	34.5 Å²	34.5	38%	0.38	19%	0.192	S	C	.	.	H	α-helix	trans	-78.8	-38.9	-177	0	0	0	0	0	113.1	V73 T88	V73-A92 HydrophobicContact CB-CB 4.4Å; V73-A92 HydrophobicContact CG1-CB 3.87Å; V73-A92 HydrophobicContact CG2-CB 3.75Å; T88-A92 VanDerWaalsContact O-CB 3.26Å; T88-A92 WeakPolarHBondContact O-CB 3.49Å; T88-A92 PolarHBondContact O-N 3.07Å
93	F	98.7	Very high	98.7	Very high	39 Å²	39	35 Å²	35	17%	0.171	20%	0.197	C	C	.	.	H	α-helix	trans	-132	-6	-166.7	-53.2	-51.3	0	0	0	114.8	V14 K38 V40 V73 A89 R95	V14-F93 HydrophobicContact CG1-CB 4.23Å; V14-F93 HydrophobicContact CG1-CD2 3.73Å; V14-F93 HydrophobicContact CG1-CG 4.4Å; V14-F93 HydrophobicContact CG2-CB 3.46Å; V14-F93 VanDerWaalsContact CG2-CB 3.46Å; V14-F93 HydrophobicContact CG2-CD2 4.24Å; V14-F93 HydrophobicContact CG2-CG 4.12Å; K38-F93 HydrophobicContact CB-CD1 4.01Å; K38-F93 HydrophobicContact CB-CD2 3.97Å; K38-F93 HydrophobicContact CB-CE1 4Å; K38-F93 HydrophobicContact CB-CE2 3.95Å; K38-F93 HydrophobicContact CB-CG 3.99Å; K38-F93 HydrophobicContact CB-CZ 3.96Å; K38-F93 HydrophobicContact CD-CB 4.32Å; K38-F93 HydrophobicContact CD-CD1 3.59Å; K38-F93 HydrophobicContact CD-CE1 4.04Å; K38-F93 HydrophobicContact CD-CG 4.02Å; K38-F93 HydrophobicContact CG-CD1 4.36Å; K38-F93 HydrophobicContact CG-CE1 4.46Å; V40-F93 HydrophobicContact CG2-CD2 4.16Å; V40-F93 HydrophobicContact CG2-CE2 3.96Å; V73-F93 HydrophobicContact CB-CZ 4.49Å; V73-F93 HydrophobicContact CG1-CE1 4.45Å; V73-F93 HydrophobicContact CG1-CZ 3.92Å; V73-F93 HydrophobicContact CG2-CE2 3.81Å; V73-F93 HydrophobicContact CG2-CZ 4.04Å; A89-F93 WeakPolarHBondContact O-CA 3.38Å; A89-F93 PolarHBondContact O-N 2.84Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.46Å
94	G	98.4	Very high	98.5	Very high	57 Å²	57	33.7 Å²	33.7	59%	0.588	19%	0.19	S	C	*	.	S	Bend	trans	78.5	0.4	173.5	0	0	0	0	0	116.1	A89 I90	A89-G94 PolarHBondContact O-N 2.88Å; I90-G94 WeakPolarHBondContact O-CA 3.26Å; I90-G94 PolarHBondContact O-N 3.41Å
95	R	98.6	Very high	98.3	Very high	82 Å²	82	30 Å²	30	31%	0.309	17%	0.174	S	C	.	.			trans	-159.6	168.9	-176.7	64.2	-171.4	-64.8	148.1	3.7	112.3	V14 F93 D97	V14-R95 HydrophobicContact CB-CG 4.07Å; V14-R95 WeakPolarHBondContact CB-O 3.27Å; V14-R95 VanDerWaalsContact CG1-O 3.32Å; V14-R95 WeakPolarHBondContact CG1-O 3.3Å; V14-R95 HydrophobicContact CG2-CG 3.4Å; V14-R95 VanDerWaalsContact CG2-CG 3.4Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.46Å; R95-D97 IonicContact CZ-OD1 2.8Å; R95-D97 IonicContact CZ-OD2 3.71Å; R95-D97 IonicContact NE-OD1 3.27Å; R95-D97 PolarHBondContact NE-OD1 3.4Å; R95-D97 IonicContact NE-OD2 2.86Å; R95-D97 PolarHBondContact NE-OD2 2.85Å; R95-D97 IonicContact NH2-OD1 2.7Å; R95-D97 PolarHBondContact NH2-OD1 3.38Å; R95-D97 IonicContact NH2-OD2 2.65Å
96	V	98.9	Very high	98	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.			trans	-142.5	120.1	168.9	57.2	0	0	0	0	109.6	V16 I86 A89 I90 A137 Y140 M141 Q144	V16-V96 HydrophobicContact CG2-CG2 3.75Å; I86-V96 HydrophobicContact CG2-CG1 4.18Å; A89-V96 HydrophobicContact CB-CB 4.43Å; I90-V96 HydrophobicContact CD1-CG1 4.36Å; V96-A137 HydrophobicContact CG1-CB 4.15Å; V96-Y140 HydrophobicContact CG1-CD2 4.35Å; V96-Y140 HydrophobicContact CG1-CG 4.33Å; V96-M141 HydrophobicContact CG2-CE 4.16Å; V96-Q144 PolarHBondContact O-NE2 3.42Å
97	D	98.9	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.			trans	-110.8	-35.3	-175.6	-66.1	-86.6	0	0	0	112.3	R13 V14 R95 Y146 G147 R148	R13-D97 WeakPolarHBondContact CA-OD2 3.48Å; R13-D97 HydrophobicContact CB-CB 4.09Å; R13-D97 IonicContact NH1-OD1 2.86Å; R13-D97 PolarHBondContact NH1-OD1 2.98Å; R13-D97 VanDerWaalsContact NH1-OD1 3.15Å; V14-D97 PolarHBondContact N-OD2 2.97Å; V14-D97 PolarHBondContact O-N 3.27Å; R95-D97 IonicContact CZ-OD1 2.8Å; R95-D97 IonicContact CZ-OD2 3.71Å; R95-D97 IonicContact NE-OD1 3.27Å; R95-D97 PolarHBondContact NE-OD1 3.4Å; R95-D97 IonicContact NE-OD2 2.86Å; R95-D97 PolarHBondContact NE-OD2 2.85Å; R95-D97 IonicContact NH2-OD1 2.7Å; R95-D97 PolarHBondContact NH2-OD1 3.38Å; R95-D97 IonicContact NH2-OD2 2.65Å; D97-Y146 HydrophobicContact CB-CD1 3.78Å; D97-Y146 HydrophobicContact CB-CE1 3.85Å; D97-G147 CarbonylContact O-C 3.41Å; D97-G147 WeakPolarHBondContact O-CA 3.44Å; D97-R148 PolarHBondContact O-N 3.13Å
98	I	99	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131	-176.9	-60.6	165.2	0	0	0	108.1	Y10 V14 A15 V16 F32 V100 R148 C229	Y10-I98 HydrophobicContact CD1-CD1 3.66Å; Y10-I98 HydrophobicContact CE1-CD1 4.1Å; Y10-I98 HydrophobicContact CG-CD1 4.5Å; V14-I98 PolarHBondContact O-N 2.75Å; A15-I98 CarbonylContact C-O 3.53Å; A15-I98 WeakPolarHBondContact CA-O 3.23Å; A15-I98 HydrophobicContact CB-CB 3.91Å; A15-I98 HydrophobicContact CB-CD1 4.4Å; A15-I98 HydrophobicContact CB-CG2 4.17Å; V16-I98 PolarHBondContact N-O 2.87Å; F32-I98 HydrophobicContact CD1-CD1 4.23Å; F32-I98 HydrophobicContact CE1-CD1 3.89Å; F32-I98 HydrophobicContact CE1-CG2 4.45Å; F32-I98 HydrophobicContact CE2-CG2 4.27Å; F32-I98 HydrophobicContact CZ-CD1 4.46Å; F32-I98 HydrophobicContact CZ-CG2 3.96Å; I98-V100 HydrophobicContact CG2-CG2 4.06Å; I98-R148 CarbonylContact C-O 3.59Å; I98-R148 VanDerWaalsContact CA-O 3.3Å; I98-R148 WeakPolarHBondContact CA-O 3.41Å; I98-R148 HydrophobicContact CG1-CB 4.2Å; I98-C229 HydrophobicContact CD1-CB 3.94Å; I98-C229 HydrophobicContact CG1-CB 4.04Å; I98-C229 HydrophobicContact CG2-CB 3.87Å
99	L	99	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.1	172	173.4	63.3	0	0	0	109.3	V16 I86 C133 A137 M141 R148 I149 I150	V16-L99 HydrophobicContact CB-CD1 4Å; V16-L99 HydrophobicContact CG1-CD1 3.96Å; V16-L99 WeakPolarHBondContact O-CA 3.19Å; I86-L99 HydrophobicContact CD1-CD1 4.32Å; L99-C133 HydrophobicContact CD1-CB 4.24Å; L99-C133 HydrophobicContact CD2-CB 4.01Å; L99-A137 HydrophobicContact CD2-CB 4.09Å; L99-M141 HydrophobicContact CB-CE 3.84Å; L99-R148 PolarHBondContact N-O 3.01Å; L99-I149 HydrophobicContact CB-CG1 4.42Å; L99-I149 CarbonylContact O-C 3.44Å; L99-I149 WeakPolarHBondContact O-CA 3.47Å; L99-I150 PolarHBondContact O-N 3.05Å
100	V	99	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	102	173.1	-175.4	0	0	0	0	108.8	V16 V17 T18 Y28 F32 I98 N102 I150 V225	V16-V100 PolarHBondContact O-N 3.28Å; V17-V100 HydrophobicContact CG1-CB 4.14Å; V17-V100 HydrophobicContact CG1-CG1 4.37Å; V17-V100 HydrophobicContact CG2-CB 4.3Å; V17-V100 HydrophobicContact CG2-CG2 4.38Å; T18-V100 PolarHBondContact N-O 3.07Å; T18-V100 PolarHBondContact OG1-O 3.45Å; Y28-V100 HydrophobicContact CD2-CG1 3.76Å; Y28-V100 HydrophobicContact CE2-CG1 4.1Å; F32-V100 HydrophobicContact CE2-CG2 3.92Å; F32-V100 HydrophobicContact CZ-CG2 4.43Å; I98-V100 HydrophobicContact CG2-CG2 4.06Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 HydrophobicContact CG1-CB 3.95Å; V100-N102 PolarHBondContact O-N 3.12Å; V100-I150 HydrophobicContact CB-CB 4.44Å; V100-I150 HydrophobicContact CG1-CB 4.14Å; V100-I150 HydrophobicContact CG1-CG2 4.26Å; V100-I150 HydrophobicContact CG2-CB 4.28Å; V100-I150 HydrophobicContact CG2-CG1 4.26Å; V100-V225 HydrophobicContact CG1-CG1 4.26Å; V100-V225 HydrophobicContact CG2-CG1 4.1Å
101	N	98.9	Very high	97	Very high	2 Å²	2	42 Å²	42	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	80.5	175.2	-67.5	-60.5	0	0	0	110	S130 C133 T134 I150 M151 T152	N101-S130 WeakPolarHBondContact CB-OG 3.46Å; N101-C133 WeakPolarHBondContact OD1-CB 3.48Å; N101-T134 PolarHBondContact ND2-OG1 2.77Å; N101-I150 WeakPolarHBondContact CB-O 3.33Å; N101-I150 PolarHBondContact N-O 2.89Å; N101-M151 HydrophobicContact CB-SD 4.07Å; N101-M151 PolarHBondContact ND2-SD 3.27Å; N101-M151 VanDerWaalsContact ND2-SD 3.41Å; N101-T152 WeakPolarHBondContact O-CB 3.49Å; N101-T152 PolarHBondContact O-N 2.91Å; N101-T152 PolarHBondContact O-OG1 2.97Å
102	N	98.5	Very high	96.9	Very high	20 Å²	20	41.5 Å²	41.5	11%	0.107	24%	0.24	C	C	.	.			trans	-106.5	-19.7	-174.7	166.9	87.3	0	0	0	114.1	T18 G19 G25 Y28 V100 G104	T18-N102 CarbonylContact O-C 3.53Å; T18-N102 VanDerWaalsContact O-CB 3.26Å; T18-N102 WeakPolarHBondContact O-CB 3.43Å; T18-N102 PolarHBondContact O-ND2 2.72Å; T18-N102 VanDerWaalsContact O-ND2 3.07Å; T18-N102 PolarHBondContact OG1-N 3.37Å; G19-N102 PolarHBondContact O-ND2 3.17Å; G19-N102 VanDerWaalsContact O-ND2 3.13Å; G25-N102 VanDerWaalsContact CA-ND2 3.35Å; G25-N102 WeakPolarHBondContact CA-ND2 3.5Å; G25-N102 PolarHBondContact N-ND2 3.18Å; Y28-N102 HydrophobicContact CE2-CB 4.36Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 HydrophobicContact CG1-CB 3.95Å; V100-N102 PolarHBondContact O-N 3.12Å; N102-G104 PolarHBondContact O-N 3.36Å
103	A	96.9	Very high	96.9	Very high	13 Å²	13	46.7 Å²	46.7	11%	0.107	25%	0.254	C	S	.	.			trans	-49.9	138.8	-179.8	0	0	0	0	0	112.7	T18 V79	T18-A103 PolarHBondContact O-N 3.15Å; T18-A103 VanDerWaalsContact O-N 3.1Å; T18-A103 PolarHBondContact OG1-N 2.96Å; V79-A103 HydrophobicContact CG1-CB 3.75Å; V79-A103 HydrophobicContact CG2-CB 4.34Å
104	G	94.8	Very high	96.8	Very high	41 Å²	41	46.2 Å²	46.2	42%	0.423	25%	0.254	S	S	.	.			trans	-170.2	156	-175.1	0	0	0	0	0	114.5	N102 H126	N102-G104 PolarHBondContact O-N 3.36Å; G104-H126 WeakPolarHBondContact CA-CE1 3.37Å
105	I	94.9	Very high	96.8	Very high	15 Å²	15	45.8 Å²	45.8	8%	0.077	24%	0.242	C	C	.	.			trans	-143.2	168.3	-179.2	57.7	163.4	0	0	0	109.7	H48 L121 V122 V125 H126	H48-I105 CarbonylContact O-C 3.55Å; H48-I105 VanDerWaalsContact O-CA 3.28Å; H48-I105 WeakPolarHBondContact O-CA 3.38Å; H48-I105 WeakPolarHBondContact O-CB 3.39Å; I105-L121 HydrophobicContact CD1-CD1 4.4Å; I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CD1-CG 3.57Å; I105-V122 HydrophobicContact CD1-CG2 4.35Å; I105-V122 HydrophobicContact CG1-CG2 4.42Å; I105-V125 HydrophobicContact CD1-CB 4.22Å; I105-V125 HydrophobicContact CD1-CG2 3.89Å; I105-V125 HydrophobicContact CG1-CB 4.11Å; I105-V125 HydrophobicContact CG1-CG1 4.19Å; I105-V125 HydrophobicContact CG1-CG2 4.26Å; I105-V125 HydrophobicContact CG2-CG1 4.42Å; I105-H126 PolarHBondContact N-CE1 3.35Å; I105-H126 PolarHBondContact N-NE2 3.05Å; I105-H126 PolarHBondContact O-NE2 3.05Å
106	L	92.3	Very high	96.8	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.236	26%	0.261	C	S	.	.			trans	-126.7	136.1	176.4	-65.3	173.1	0	0	0	110.6	H48 S49 Y167 M203	H48-L106 PolarHBondContact O-N 3.37Å; S49-L106 WeakPolarHBondContact CA-O 3.36Å; L106-Y167 HydrophobicContact CD2-CD1 4.31Å; L106-Y167 HydrophobicContact CD2-CD2 3.69Å; L106-Y167 HydrophobicContact CD2-CE1 4.27Å; L106-Y167 HydrophobicContact CD2-CE2 3.63Å; L106-Y167 HydrophobicContact CD2-CG 4.04Å; L106-M203 HydrophobicContact CD1-CE 4.36Å
107	R	93.5	Very high	96.7	Very high	38 Å²	38	56.1 Å²	56.1	14%	0.143	29%	0.294	C	S	.	.			trans	-136.1	63.1	170.3	-68.6	-65.8	-176	156.9	-8.7	108.9	S49 D51 R109 D118 V122 N166	S49-R107 PolarHBondContact O-NE 3.16Å; S49-R107 PolarHBondContact O-NH2 3.26Å; D51-R107 IonicContact OD1-CZ 2.88Å; D51-R107 IonicContact OD1-NH2 3.53Å; D51-R107 PolarHBondContact OD1-NH2 3.08Å; D51-R107 IonicContact OD2-CZ 3.83Å; D51-R107 IonicContact OD2-NH2 3.8Å; D51-R107 PolarHBondContact OD2-NH2 3.38Å; R107-R109 PolarHBondContact O-N 2.78Å; R107-D118 HydrophobicContact CB-CB 3.78Å; R107-D118 VanDerWaalsContact CD-OD1 3.26Å; R107-D118 WeakPolarHBondContact CD-OD1 3.27Å; R107-D118 HydrophobicContact CG-CB 4.23Å; R107-D118 IonicContact NE-OD1 3.56Å; R107-D118 IonicContact NH1-OD1 2.63Å; R107-V122 HydrophobicContact CB-CG2 3.82Å; R107-V122 HydrophobicContact CG-CG2 3.99Å; R107-N166 PolarHBondContact O-ND2 2.82Å
108	D	93.1	Very high	96.7	Very high	51 Å²	51	56.7 Å²	56.7	27%	0.273	30%	0.297	S	S	.	.			trans	-67.3	117.2	-171.9	-69.3	0.3	0	0	0	111.1	G163 Q164	D108-G163 CarbonylContact C-O 3.55Å; D108-G163 WeakPolarHBondContact CA-O 3.4Å; D108-Q164 PolarHBondContact OD1-NE2 3.4Å; D108-Q164 PolarHBondContact OD2-NE2 2.87Å
109	R	92.8	Very high	96.6	Very high	118 Å²	118	61.4 Å²	61.4	45%	0.445	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-145.3	141.5	176.6	-63.9	-64.6	179	-99.6	2.3	108.6	R107 K113 T114 G163	R107-R109 PolarHBondContact O-N 2.78Å; R109-K113 HydrophobicContact CB-CB 4.29Å; R109-T114 WeakPolarHBondContact CB-OG1 3.45Å; R109-T114 PolarHBondContact O-OG1 2.68Å; R109-G163 CarbonylContact C-O 3.52Å; R109-G163 PolarHBondContact N-O 3.43Å; R109-G163 CarbonylContact O-C 3.16Å; R109-G163 VanDerWaalsContact O-CA 3.31Å; R109-G163 WeakPolarHBondContact O-CA 3.08Å
110	S	95.3	Very high	96.6	Very high	31 Å²	31	64.7 Å²	64.7	22%	0.217	33%	0.332	C	S	.	.			trans	-58.7	157.4	168.2	63.6	0	0	0	0	110	V112 K113 T114	S110-V112 VanDerWaalsContact C-N 3.26Å; S110-V112 PolarHBondContact O-N 3.14Å; S110-V112 VanDerWaalsContact O-N 3.13Å; S110-K113 CarbonylContact O-C 3.51Å; S110-K113 WeakPolarHBondContact O-CA 3.05Å; S110-K113 PolarHBondContact O-N 3.26Å; S110-T114 PolarHBondContact O-N 3.36Å; S110-T114 VanDerWaalsContact O-N 3.07Å; S110-T114 PolarHBondContact O-OG1 2.91Å
111	L	97.3	Very high	96.5	Very high	132 Å²	132	67.1 Å²	67.1	69%	0.691	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-44.9	-51.3	-176.7	177.6	68.4	0	0	0	112.4	K113 T114 V165	L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.47Å; L111-T114 PolarHBondContact O-N 3Å; L111-V165 HydrophobicContact CD1-CB 4.38Å; L111-V165 HydrophobicContact CD1-CG1 4.31Å; L111-V165 HydrophobicContact CD1-CG2 3.81Å
112	V	97.8	Very high	96.5	Very high	141 Å²	141	67 Å²	67	86%	0.855	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-66.2	-25.6	-178.2	179.2	0	0	0	0	113.3	S110	S110-V112 VanDerWaalsContact C-N 3.26Å; S110-V112 PolarHBondContact O-N 3.14Å; S110-V112 VanDerWaalsContact O-N 3.13Å
113	K	97.8	Very high	96.5	Very high	155 Å²	155	67.4 Å²	67.4	67%	0.674	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-100.7	-0.8	-175.9	-65.2	-176.4	179	-179.3	0	113.4	R109 S110 L111 S115	R109-K113 HydrophobicContact CB-CB 4.29Å; S110-K113 CarbonylContact O-C 3.51Å; S110-K113 WeakPolarHBondContact O-CA 3.05Å; S110-K113 PolarHBondContact O-N 3.26Å; L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.47Å; K113-S115 PolarHBondContact O-N 2.87Å
114	T	97.5	Very high	96.6	Very high	30 Å²	30	69 Å²	69	18%	0.184	35%	0.353	C	S	.	.			trans	-74.4	115.3	-179.2	-57.6	0	0	0	0	108.7	R109 S110 L111 W119 V165 N166	R109-T114 WeakPolarHBondContact CB-OG1 3.45Å; R109-T114 PolarHBondContact O-OG1 2.68Å; S110-T114 PolarHBondContact O-N 3.36Å; S110-T114 VanDerWaalsContact O-N 3.07Å; S110-T114 PolarHBondContact O-OG1 2.91Å; L111-T114 PolarHBondContact O-N 3Å; T114-W119 HydrophobicContact CG2-CB 4.34Å; T114-V165 HydrophobicContact CG2-CG1 4.15Å; T114-V165 VanDerWaalsContact OG1-CG1 3.31Å; T114-V165 WeakPolarHBondContact OG1-CG1 3.48Å; T114-N166 HydrophobicContact CG2-CB 4.41Å
115	S	98	Very high	96.7	Very high	47 Å²	47	68.1 Å²	68.1	33%	0.329	34%	0.34	S	S	.	.			trans	-75	155.1	175.5	72.9	0	0	0	0	110.8	K113 Q117 D118 W119	K113-S115 PolarHBondContact O-N 2.87Å; S115-Q117 PolarHBondContact O-N 3.24Å; S115-D118 PolarHBondContact O-N 2.9Å; S115-D118 WeakPolarHBondContact OG-CB 3.35Å; S115-D118 PolarHBondContact OG-N 3.05Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; S115-W119 PolarHBondContact O-N 2.91Å
116	E	98.3	Very high	96.9	Very high	152 Å²	152	67.5 Å²	67.5	71%	0.71	34%	0.337	S	S	*	.	H	α-helix	trans	-59.9	-36.8	174.5	-176	178.9	172.5	0	0	111.7	W119 N120	E116-W119 WeakPolarHBondContact O-CB 3.4Å; E116-W119 PolarHBondContact O-N 3.23Å; E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 VanDerWaalsContact O-CG 3.3Å; E116-N120 PolarHBondContact O-N 2.86Å; E116-N120 PolarHBondContact O-ND2 3.47Å
117	Q	98.1	Very high	97.2	Very high	147 Å²	147	67.7 Å²	67.7	69%	0.687	34%	0.338	S	S	*	.	H	α-helix	trans	-61	-47.9	174.9	-177.6	-178.8	-0.2	0	0	111.6	S115 W119 N120 L121	S115-Q117 PolarHBondContact O-N 3.24Å; Q117-W119 VanDerWaalsContact C-N 3.3Å; Q117-W119 PolarHBondContact O-N 3.42Å; Q117-N120 PolarHBondContact O-N 2.88Å; Q117-L121 VanDerWaalsContact O-CB 3.24Å; Q117-L121 WeakPolarHBondContact O-CB 3.3Å; Q117-L121 PolarHBondContact O-N 3.04Å
118	D	97.1	Very high	97.4	Very high	13 Å²	13	70 Å²	70	7%	0.07	35%	0.349	C	S	.	.	H	α-helix	trans	-64.9	-35.9	177.6	-69	-38.7	0	0	0	111.7	R107 S115 V122 N166	R107-D118 HydrophobicContact CB-CB 3.78Å; R107-D118 VanDerWaalsContact CD-OD1 3.26Å; R107-D118 WeakPolarHBondContact CD-OD1 3.27Å; R107-D118 HydrophobicContact CG-CB 4.23Å; R107-D118 IonicContact NE-OD1 3.56Å; R107-D118 IonicContact NH1-OD1 2.63Å; S115-D118 PolarHBondContact O-N 2.9Å; S115-D118 WeakPolarHBondContact OG-CB 3.35Å; S115-D118 PolarHBondContact OG-N 3.05Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; D118-V122 WeakPolarHBondContact O-CB 3.44Å; D118-V122 WeakPolarHBondContact O-CG2 3.36Å; D118-V122 PolarHBondContact O-N 3.32Å; D118-N166 PolarHBondContact O-ND2 2.83Å
119	W	98.4	Very high	97.7	Very high	99 Å²	99	67.6 Å²	67.6	38%	0.375	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-53.8	174.4	175.1	-89.9	0	0	0	111.6	T114 S115 E116 Q117 N123 V165 N166 A169	T114-W119 HydrophobicContact CG2-CB 4.34Å; S115-W119 PolarHBondContact O-N 2.91Å; E116-W119 WeakPolarHBondContact O-CB 3.4Å; E116-W119 PolarHBondContact O-N 3.23Å; Q117-W119 VanDerWaalsContact C-N 3.3Å; Q117-W119 PolarHBondContact O-N 3.42Å; W119-N123 VanDerWaalsContact CE2-ND2 3.33Å; W119-N123 PolarHBondContact NE1-ND2 2.82Å; W119-N123 WeakPolarHBondContact O-CB 3.34Å; W119-N123 PolarHBondContact O-N 3.46Å; W119-N123 VanDerWaalsContact O-N 3.09Å; W119-N123 PolarHBondContact O-ND2 3.19Å; W119-V165 HydrophobicContact CZ3-CG2 4.39Å; W119-N166 HydrophobicContact CD2-CB 4.43Å; W119-N166 HydrophobicContact CE3-CB 3.73Å; W119-N166 HydrophobicContact CZ3-CB 4.25Å; W119-A169 HydrophobicContact CH2-CB 3.89Å; W119-A169 HydrophobicContact CZ3-CB 4.36Å
120	N	98.5	Very high	98	Very high	69 Å²	69	62.1 Å²	62.1	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-46.1	-177.2	-73.6	-20.8	0	0	0	110.9	E116 Q117 V122 N123 D124	E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 VanDerWaalsContact O-CG 3.3Å; E116-N120 PolarHBondContact O-N 2.86Å; E116-N120 PolarHBondContact O-ND2 3.47Å; Q117-N120 PolarHBondContact O-N 2.88Å; N120-V122 PolarHBondContact O-N 3.49Å; N120-N123 PolarHBondContact O-N 2.81Å; N120-D124 WeakPolarHBondContact O-CB 3.46Å; N120-D124 PolarHBondContact O-N 3.46Å
121	L	97.5	Very high	98.1	Very high	50 Å²	50	64.6 Å²	64.6	26%	0.262	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-44.4	-177.6	-174.1	63.6	0	0	0	112.2	I105 Q117 D124 V125	I105-L121 HydrophobicContact CD1-CD1 4.4Å; I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CD1-CG 3.57Å; Q117-L121 VanDerWaalsContact O-CB 3.24Å; Q117-L121 WeakPolarHBondContact O-CB 3.3Å; Q117-L121 PolarHBondContact O-N 3.04Å; L121-D124 PolarHBondContact O-N 2.97Å; L121-V125 HydrophobicContact CD1-CG2 4.36Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.26Å
122	V	97.7	Very high	98.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-44.8	177.4	168.3	0	0	0	0	111.1	I105 R107 D118 N120 H126 N166 Y167 A170	I105-V122 HydrophobicContact CD1-CG2 4.35Å; I105-V122 HydrophobicContact CG1-CG2 4.42Å; R107-V122 HydrophobicContact CB-CG2 3.82Å; R107-V122 HydrophobicContact CG-CG2 3.99Å; D118-V122 WeakPolarHBondContact O-CB 3.44Å; D118-V122 WeakPolarHBondContact O-CG2 3.36Å; D118-V122 PolarHBondContact O-N 3.32Å; N120-V122 PolarHBondContact O-N 3.49Å; V122-H126 WeakPolarHBondContact O-CB 3.45Å; V122-H126 PolarHBondContact O-CD2 3.01Å; V122-H126 VanDerWaalsContact O-CD2 3.24Å; V122-H126 PolarHBondContact O-N 3.4Å; V122-N166 HydrophobicContact CB-CB 4.17Å; V122-N166 HydrophobicContact CG1-CB 4.09Å; V122-Y167 HydrophobicContact CG1-CD2 4.45Å; V122-A170 HydrophobicContact CG1-CB 4.32Å
123	N	98.5	Very high	98.3	Very high	28 Å²	28	55 Å²	55	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-39.6	177	-81.9	-81.6	0	0	0	112.5	W119 N120 L127 K128	W119-N123 VanDerWaalsContact CE2-ND2 3.33Å; W119-N123 PolarHBondContact NE1-ND2 2.82Å; W119-N123 WeakPolarHBondContact O-CB 3.34Å; W119-N123 PolarHBondContact O-N 3.46Å; W119-N123 VanDerWaalsContact O-N 3.09Å; W119-N123 PolarHBondContact O-ND2 3.19Å; N120-N123 PolarHBondContact O-N 2.81Å; N123-L127 WeakPolarHBondContact O-CB 3.26Å; N123-L127 PolarHBondContact O-N 3.02Å; N123-K128 PolarHBondContact O-N 3.14Å
124	D	98.4	Very high	98.3	Very high	46 Å²	46	47.8 Å²	47.8	25%	0.246	23%	0.233	C	C	.	.	I	π-helix	trans	-65.1	-48.1	-180	-87.4	-25.5	0	0	0	111.4	I80 N120 L121 K128 G129	I80-D124 HydrophobicContact CD1-CB 3.7Å; I80-D124 HydrophobicContact CG1-CB 4.2Å; N120-D124 WeakPolarHBondContact O-CB 3.46Å; N120-D124 PolarHBondContact O-N 3.46Å; L121-D124 PolarHBondContact O-N 2.97Å; D124-K128 WeakPolarHBondContact OD1-CD 3.24Å; D124-K128 IonicContact OD1-NZ 2.76Å; D124-K128 PolarHBondContact OD1-NZ 2.89Å; D124-G129 PolarHBondContact O-N 2.86Å
125	V	97.9	Very high	98.4	Very high	23 Å²	23	51.1 Å²	51.1	14%	0.139	25%	0.246	C	C	.	.	I	π-helix	trans	-69.3	-48.9	-179.7	173.6	0	0	0	0	111.4	V79 I105 L121	V79-V125 HydrophobicContact CG2-CG1 4.37Å; V79-V125 WeakPolarHBondContact CG2-O 3.39Å; I105-V125 HydrophobicContact CD1-CB 4.22Å; I105-V125 HydrophobicContact CD1-CG2 3.89Å; I105-V125 HydrophobicContact CG1-CB 4.11Å; I105-V125 HydrophobicContact CG1-CG1 4.19Å; I105-V125 HydrophobicContact CG1-CG2 4.26Å; I105-V125 HydrophobicContact CG2-CG1 4.42Å; L121-V125 HydrophobicContact CD1-CG2 4.36Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.26Å
126	H	98.3	Very high	98.4	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.014	24%	0.239	C	C	.	.	I	π-helix	trans	-78.2	-63.2	-173.6	-74.1	-78.1	0	0	0	112.7	G104 I105 V122 S130 Y167 A170 K171	G104-H126 WeakPolarHBondContact CA-CE1 3.37Å; I105-H126 PolarHBondContact N-CE1 3.35Å; I105-H126 PolarHBondContact N-NE2 3.05Å; I105-H126 PolarHBondContact O-NE2 3.05Å; V122-H126 WeakPolarHBondContact O-CB 3.45Å; V122-H126 PolarHBondContact O-CD2 3.01Å; V122-H126 VanDerWaalsContact O-CD2 3.24Å; V122-H126 PolarHBondContact O-N 3.4Å; H126-S130 VanDerWaalsContact O-CB 3.24Å; H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 3.45Å; H126-S130 PolarHBondContact O-OG 2.97Å; H126-Y167 AromaticContact CE1-CE2 3.52Å; H126-Y167 AromaticContact NE2-CD2 3.69Å; H126-Y167 AromaticContact NE2-CE2 3.56Å; H126-A170 HydrophobicContact CB-CB 3.95Å; H126-K171 VanDerWaalsContact CE1-CE 3.48Å; H126-K171 WeakPolarHBondContact CE1-CE 3.12Å; H126-K171 VanDerWaalsContact ND1-CE 3.33Å; H126-K171 WeakPolarHBondContact ND1-CE 3.4Å
127	L	98.7	Very high	98.5	Very high	49 Å²	49	42.7 Å²	42.7	26%	0.257	21%	0.205	S	C	.	.	I	π-helix	trans	-82.1	-55.1	-168.5	-179.4	56.8	0	0	0	111.1	N123 S130 F131 A170 L174 L177	N123-L127 WeakPolarHBondContact O-CB 3.26Å; N123-L127 PolarHBondContact O-N 3.02Å; L127-S130 PolarHBondContact O-N 3.1Å; L127-F131 WeakPolarHBondContact O-CB 3.49Å; L127-F131 PolarHBondContact O-N 3.04Å; L127-A170 HydrophobicContact CB-CB 4.45Å; L127-L174 HydrophobicContact CD1-CD2 4.01Å; L127-L174 HydrophobicContact CD1-CG 4.33Å; L127-L177 HydrophobicContact CD1-CB 4.49Å; L127-L177 HydrophobicContact CD1-CD2 4.36Å
128	K	98.8	Very high	98.5	Very high	86 Å²	86	36.9 Å²	36.9	37%	0.374	18%	0.178	S	C	.	.	I	π-helix	trans	-67.6	-39.6	-178.4	-174.9	-174.2	-180	177.4	0	111.8	I80 N123 D124 F131 K132	I80-K128 HydrophobicContact CG2-CD 4.4Å; N123-K128 PolarHBondContact O-N 3.14Å; D124-K128 WeakPolarHBondContact OD1-CD 3.24Å; D124-K128 IonicContact OD1-NZ 2.76Å; D124-K128 PolarHBondContact OD1-NZ 2.89Å; K128-F131 WeakPolarHBondContact O-CB 3.45Å; K128-F131 PolarHBondContact O-N 2.84Å; K128-K132 HydrophobicContact CG-CG 4.24Å; K128-K132 WeakPolarHBondContact O-CB 3.47Å; K128-K132 VanDerWaalsContact O-CG 3.25Å; K128-K132 WeakPolarHBondContact O-CG 3.45Å; K128-K132 PolarHBondContact O-N 3.33Å
129	G	98.7	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-50.3	174.9	0	0	0	0	0	111.9	V79 D124 F131 K132 C133	V79-G129 WeakPolarHBondContact O-CA 3.44Å; D124-G129 PolarHBondContact O-N 2.86Å; G129-F131 VanDerWaalsContact C-N 3.32Å; G129-F131 PolarHBondContact O-N 3.07Å; G129-K132 PolarHBondContact O-N 2.98Å; G129-K132 VanDerWaalsContact O-N 3.17Å; G129-C133 PolarHBondContact O-N 2.83Å
130	S	98.9	Very high	98.6	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-42.3	175.5	-58.3	0	0	0	0	112.3	N101 H126 L127 T134 L174	N101-S130 WeakPolarHBondContact CB-OG 3.46Å; H126-S130 VanDerWaalsContact O-CB 3.24Å; H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 3.45Å; H126-S130 PolarHBondContact O-OG 2.97Å; L127-S130 PolarHBondContact O-N 3.1Å; S130-T134 WeakPolarHBondContact O-CB 3.43Å; S130-T134 PolarHBondContact O-N 3.09Å; S130-T134 PolarHBondContact O-OG1 2.6Å; S130-L174 VanDerWaalsContact CB-CD2 3.49Å; S130-L174 WeakPolarHBondContact OG-CD2 3.42Å
131	F	98.9	Very high	98.6	Very high	82 Å²	82	36.9 Å²	36.9	36%	0.36	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-46.4	173.9	167.9	-106.3	0	0	0	112.1	L127 K128 G129 T134 Q135 L177	L127-F131 WeakPolarHBondContact O-CB 3.49Å; L127-F131 PolarHBondContact O-N 3.04Å; K128-F131 WeakPolarHBondContact O-CB 3.45Å; K128-F131 PolarHBondContact O-N 2.84Å; G129-F131 VanDerWaalsContact C-N 3.32Å; G129-F131 PolarHBondContact O-N 3.07Å; F131-T134 PolarHBondContact O-N 3.47Å; F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 PolarHBondContact O-N 2.79Å; F131-L177 HydrophobicContact CB-CD2 3.98Å; F131-L177 HydrophobicContact CD2-CD1 4.07Å
132	K	98.9	Very high	98.7	Very high	71 Å²	71	38.7 Å²	38.7	31%	0.309	19%	0.189	S	C	.	.	H	α-helix	trans	-68.3	-43.2	-176.7	-73	-66.6	-179.4	-173.5	0	112.8	K128 G129 T134 A136	K128-K132 HydrophobicContact CG-CG 4.24Å; K128-K132 WeakPolarHBondContact O-CB 3.47Å; K128-K132 VanDerWaalsContact O-CG 3.25Å; K128-K132 WeakPolarHBondContact O-CG 3.45Å; K128-K132 PolarHBondContact O-N 3.33Å; G129-K132 PolarHBondContact O-N 2.98Å; G129-K132 VanDerWaalsContact O-N 3.17Å; K132-T134 VanDerWaalsContact C-N 3.35Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 2.71Å
133	C	98.9	Very high	98.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-44.8	173.1	-69.4	0	0	0	0	111.1	G82 L99 N101 G129 A136 A137	G82-C133 VanDerWaalsContact CA-SG 3.59Å; L99-C133 HydrophobicContact CD1-CB 4.24Å; L99-C133 HydrophobicContact CD2-CB 4.01Å; N101-C133 WeakPolarHBondContact OD1-CB 3.48Å; G129-C133 PolarHBondContact O-N 2.83Å; C133-A136 PolarHBondContact O-N 3.38Å; C133-A137 WeakPolarHBondContact O-CB 3.42Å; C133-A137 PolarHBondContact O-N 3.09Å
134	T	98.9	Very high	98.7	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-48.9	178.2	-58.9	0	0	0	0	111.3	N101 S130 F131 K132 A136 A137 F138 I149 M151 V181	N101-T134 PolarHBondContact ND2-OG1 2.77Å; S130-T134 WeakPolarHBondContact O-CB 3.43Å; S130-T134 PolarHBondContact O-N 3.09Å; S130-T134 PolarHBondContact O-OG1 2.6Å; F131-T134 PolarHBondContact O-N 3.47Å; K132-T134 VanDerWaalsContact C-N 3.35Å; T134-A136 PolarHBondContact O-N 2.78Å; T134-A137 PolarHBondContact O-N 3.05Å; T134-A137 VanDerWaalsContact O-N 3.17Å; T134-F138 WeakPolarHBondContact O-CB 3.49Å; T134-F138 PolarHBondContact O-N 2.74Å; T134-I149 HydrophobicContact CG2-CD1 3.93Å; T134-I149 HydrophobicContact CG2-CG2 4.46Å; T134-M151 HydrophobicContact CG2-CE 4.27Å; T134-M151 WeakPolarHBondContact OG1-CE 3.44Å; T134-V181 HydrophobicContact CG2-CG1 4.03Å; T134-V181 HydrophobicContact CG2-CG2 4.13Å
135	Q	98.8	Very high	98.7	Very high	100 Å²	100	51.2 Å²	51.2	47%	0.467	25%	0.245	S	C	.	.	H	α-helix	trans	-55	-40.1	176.8	177.1	174.2	62.6	0	0	111.9	F131 P139	F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 PolarHBondContact O-N 2.79Å; Q135-P139 WeakPolarHBondContact O-CD 3.46Å
136	A	98.9	Very high	98.7	Very high	21 Å²	21	50.5 Å²	50.5	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-74.7	-36.3	178.6	0	0	0	0	0	113.5	A83 I86 K132 C133 T134 Y140	A83-A136 HydrophobicContact CB-CB 4.35Å; I86-A136 HydrophobicContact CB-CB 4Å; I86-A136 HydrophobicContact CG1-CB 3.68Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 2.71Å; C133-A136 PolarHBondContact O-N 3.38Å; T134-A136 PolarHBondContact O-N 2.78Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å
137	A	98.9	Very high	98.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-76.2	-32.7	179.7	0	0	0	0	0	113	I86 V96 L99 C133 T134 Y140 M141	I86-A137 HydrophobicContact CD1-CB 3.83Å; I86-A137 HydrophobicContact CG1-CB 4.07Å; V96-A137 HydrophobicContact CG1-CB 4.15Å; L99-A137 HydrophobicContact CD2-CB 4.09Å; C133-A137 WeakPolarHBondContact O-CB 3.42Å; C133-A137 PolarHBondContact O-N 3.09Å; T134-A137 PolarHBondContact O-N 3.05Å; T134-A137 VanDerWaalsContact O-N 3.17Å; A137-Y140 WeakPolarHBondContact O-CB 3.45Å; A137-Y140 PolarHBondContact O-N 3.19Å; A137-Y140 VanDerWaalsContact O-N 3.11Å; A137-M141 HydrophobicContact CB-CE 4.04Å; A137-M141 HydrophobicContact CB-SD 4.29Å; A137-M141 PolarHBondContact O-N 3.22Å; A137-M141 VanDerWaalsContact O-N 3.12Å
138	F	98.8	Very high	98.8	Very high	26 Å²	26	48.4 Å²	48.4	11%	0.114	23%	0.228	C	C	.	.	H	α-helix	trans	-54.7	-45.2	-168.9	-150.8	-109.1	0	0	0	114.5	T134 Y140 M141 K142 I149 V181 E184 V190	T134-F138 WeakPolarHBondContact O-CB 3.49Å; T134-F138 PolarHBondContact O-N 2.74Å; F138-Y140 VanDerWaalsContact C-N 3.32Å; F138-Y140 PolarHBondContact O-N 3.03Å; F138-M141 PolarHBondContact O-N 2.94Å; F138-K142 HydrophobicContact CD1-CD 3.64Å; F138-K142 HydrophobicContact CD1-CG 4.02Å; F138-K142 HydrophobicContact CE1-CD 3.65Å; F138-K142 HydrophobicContact CE1-CG 4.08Å; F138-K142 WeakPolarHBondContact O-CG 3.49Å; F138-K142 PolarHBondContact O-N 3.42Å; F138-I149 HydrophobicContact CD2-CD1 4.09Å; F138-I149 HydrophobicContact CE2-CD1 4.33Å; F138-V181 HydrophobicContact CD2-CG1 4.38Å; F138-V181 HydrophobicContact CE2-CG1 3.79Å; F138-E184 HydrophobicContact CE1-CB 4.47Å; F138-E184 HydrophobicContact CZ-CB 4.12Å; F138-V190 HydrophobicContact CD2-CG1 3.95Å; F138-V190 HydrophobicContact CE2-CB 4.31Å; F138-V190 HydrophobicContact CE2-CG1 3.58Å; F138-V190 HydrophobicContact CZ-CG1 4.41Å
139	P	98.7	Very high	98.8	Very high	82 Å²	82	44.3 Å²	44.3	53%	0.532	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-36.8	179.2	-23.7	35.7	0	0	0	113.4	Q135 K143	Q135-P139 WeakPolarHBondContact O-CD 3.46Å; P139-K143 WeakPolarHBondContact O-CB 3.32Å; P139-K143 PolarHBondContact O-N 3.2Å; P139-K143 VanDerWaalsContact O-N 3.08Å
140	Y	98.8	Very high	98.8	Very high	99 Å²	99	44.3 Å²	44.3	39%	0.388	21%	0.21	S	C	.	.	H	α-helix	trans	-67.5	-47.7	176.4	-62.1	-78.7	0	0	0	111	I86 I90 V96 A136 A137 F138 K142 K143 Q144	I86-Y140 HydrophobicContact CG2-CD2 4.13Å; I86-Y140 HydrophobicContact CG2-CE2 4.08Å; I90-Y140 HydrophobicContact CD1-CD1 3.67Å; I90-Y140 HydrophobicContact CD1-CD2 4.18Å; I90-Y140 HydrophobicContact CD1-CE1 3.75Å; I90-Y140 HydrophobicContact CD1-CE2 4.25Å; I90-Y140 HydrophobicContact CD1-CG 3.9Å; I90-Y140 HydrophobicContact CG1-CD1 4.34Å; I90-Y140 HydrophobicContact CG1-CD2 4.44Å; I90-Y140 HydrophobicContact CG1-CE1 3.94Å; I90-Y140 HydrophobicContact CG1-CE2 4.05Å; I90-Y140 HydrophobicContact CG2-CE1 4.44Å; V96-Y140 HydrophobicContact CG1-CD2 4.35Å; V96-Y140 HydrophobicContact CG1-CG 4.33Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å; A137-Y140 WeakPolarHBondContact O-CB 3.45Å; A137-Y140 PolarHBondContact O-N 3.19Å; A137-Y140 VanDerWaalsContact O-N 3.11Å; F138-Y140 VanDerWaalsContact C-N 3.32Å; F138-Y140 PolarHBondContact O-N 3.03Å; Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.27Å; Y140-K143 PolarHBondContact O-N 3.08Å; Y140-Q144 WeakPolarHBondContact O-CB 3.32Å; Y140-Q144 VanDerWaalsContact O-CD 3.3Å; Y140-Q144 WeakPolarHBondContact O-CG 3.45Å; Y140-Q144 PolarHBondContact O-N 3.39Å
141	M	98.8	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-42.6	177.1	-69.4	174.8	172.6	0	0	112.1	V96 L99 A137 F138 Q144 N145 Y146 I149 V190	V96-M141 HydrophobicContact CG2-CE 4.16Å; L99-M141 HydrophobicContact CB-CE 3.84Å; A137-M141 HydrophobicContact CB-CE 4.04Å; A137-M141 HydrophobicContact CB-SD 4.29Å; A137-M141 PolarHBondContact O-N 3.22Å; A137-M141 VanDerWaalsContact O-N 3.12Å; F138-M141 PolarHBondContact O-N 2.94Å; M141-Q144 CarbonylContact O-C 3.57Å; M141-Q144 PolarHBondContact O-N 3.19Å; M141-N145 PolarHBondContact O-N 2.9Å; M141-Y146 WeakPolarHBondContact CA-O 3.37Å; M141-Y146 PolarHBondContact O-N 3.35Å; M141-I149 HydrophobicContact CE-CG1 4Å; M141-I149 HydrophobicContact SD-CD1 3.86Å; M141-I149 HydrophobicContact SD-CG1 3.8Å; M141-V190 HydrophobicContact CB-CG1 4.26Å; M141-V190 HydrophobicContact CB-CG2 3.72Å; M141-V190 HydrophobicContact SD-CG1 4.1Å
142	K	98.6	Very high	98.8	Very high	88 Å²	88	40.5 Å²	40.5	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-60.7	-45.8	174.8	-73.5	-175.2	75.8	163.7	0	112.1	F138 Y140 Q144 N145 N188 V190	F138-K142 HydrophobicContact CD1-CD 3.64Å; F138-K142 HydrophobicContact CD1-CG 4.02Å; F138-K142 HydrophobicContact CE1-CD 3.65Å; F138-K142 HydrophobicContact CE1-CG 4.08Å; F138-K142 WeakPolarHBondContact O-CG 3.49Å; F138-K142 PolarHBondContact O-N 3.42Å; Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.27Å; K142-Q144 VanDerWaalsContact C-N 3.27Å; K142-Q144 PolarHBondContact O-N 2.95Å; K142-N145 PolarHBondContact O-N 3.3Å; K142-N188 HydrophobicContact CB-CB 4.35Å; K142-N188 WeakPolarHBondContact CE-OD1 3.19Å; K142-N188 HydrophobicContact CG-CB 4.07Å; K142-V190 HydrophobicContact CG-CG2 4.35Å
143	K	98.5	Very high	98.7	Very high	194 Å²	194	37.2 Å²	37.2	84%	0.843	18%	0.179	S	C	*	.	H	α-helix	trans	-63.6	-34.6	177.9	-174.9	-179.5	178.6	-176.7	0	112	P139 Y140 N145	P139-K143 WeakPolarHBondContact O-CB 3.32Å; P139-K143 PolarHBondContact O-N 3.2Å; P139-K143 VanDerWaalsContact O-N 3.08Å; Y140-K143 PolarHBondContact O-N 3.08Å; K143-N145 VanDerWaalsContact C-N 3.3Å
144	Q	98.3	Very high	98.5	Very high	53 Å²	53	38 Å²	38	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-79.4	-11	178.1	-69.9	160.3	-165.1	0	0	113.5	V96 Y140 M141 K142 Y146	V96-Q144 PolarHBondContact O-NE2 3.42Å; Y140-Q144 WeakPolarHBondContact O-CB 3.32Å; Y140-Q144 VanDerWaalsContact O-CD 3.3Å; Y140-Q144 WeakPolarHBondContact O-CG 3.45Å; Y140-Q144 PolarHBondContact O-N 3.39Å; M141-Q144 CarbonylContact O-C 3.57Å; M141-Q144 PolarHBondContact O-N 3.19Å; K142-Q144 VanDerWaalsContact C-N 3.27Å; K142-Q144 PolarHBondContact O-N 2.95Å; Q144-Y146 PolarHBondContact O-N 3.19Å
145	N	98.3	Very high	98.3	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	37.6	-169.5	-162.7	54.5	0	0	0	112.9	M141 K142 K143 N188 N189	M141-N145 PolarHBondContact O-N 2.9Å; K142-N145 PolarHBondContact O-N 3.3Å; K143-N145 VanDerWaalsContact C-N 3.3Å; N145-N188 CarbonylContact C-O 3.6Å; N145-N188 WeakPolarHBondContact CA-O 3.48Å; N145-N188 WeakPolarHBondContact OD1-CA 3.41Å; N145-N188 PolarHBondContact OD1-O 3.12Å; N145-N188 VanDerWaalsContact OD1-O 3.13Å; N145-N189 WeakPolarHBondContact O-CB 3.25Å; N145-N189 PolarHBondContact O-ND2 3.09Å
146	Y	98.6	Very high	98.1	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.035	17%	0.174	C	C	.	.			trans	-159.7	123.1	177.3	-173.4	-86.1	0	0	0	109.4	R13 D97 M141 Q144 R148 N189 C229 E231	R13-Y146 VanDerWaalsContact NH1-CD1 3.27Å; D97-Y146 HydrophobicContact CB-CD1 3.78Å; D97-Y146 HydrophobicContact CB-CE1 3.85Å; M141-Y146 WeakPolarHBondContact CA-O 3.37Å; M141-Y146 PolarHBondContact O-N 3.35Å; Q144-Y146 PolarHBondContact O-N 3.19Å; Y146-R148 HydrophobicContact CE1-CG 3.96Å; Y146-N189 WeakPolarHBondContact CA-O 3.4Å; Y146-C229 PolarHBondContact OH-O 3.11Å; Y146-E231 HydrophobicContact CE2-CB 3.81Å; Y146-E231 PolarHBondContact OH-N 3.49Å
147	G	98.8	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.2	168.3	0	0	0	0	0	110.9	D97 N189 V190 L191	D97-G147 CarbonylContact O-C 3.41Å; D97-G147 WeakPolarHBondContact O-CA 3.44Å; G147-N189 PolarHBondContact N-O 2.91Å; G147-V190 WeakPolarHBondContact O-CA 3.38Å; G147-L191 PolarHBondContact O-N 3.22Å
148	R	98.9	Very high	97.7	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	110.2	172	-61.4	-71.7	-176.7	-88.4	9.6	108.7	D97 I98 L99 Y146 N189 L191 C229 H230	D97-R148 PolarHBondContact O-N 3.13Å; I98-R148 CarbonylContact C-O 3.59Å; I98-R148 VanDerWaalsContact CA-O 3.3Å; I98-R148 WeakPolarHBondContact CA-O 3.41Å; I98-R148 HydrophobicContact CG1-CB 4.2Å; L99-R148 PolarHBondContact N-O 3.01Å; Y146-R148 HydrophobicContact CE1-CG 3.96Å; R148-N189 PolarHBondContact NH1-O 2.79Å; R148-N189 PolarHBondContact NH1-OD1 3.24Å; R148-N189 PolarHBondContact NH2-OD1 3.01Å; R148-L191 WeakPolarHBondContact CA-O 3.46Å; R148-C229 HydrophobicContact CB-CB 3.95Å; R148-C229 HydrophobicContact CG-CB 4.44Å; R148-C229 WeakPolarHBondContact CG-O 3.45Å; R148-H230 PolarHBondContact NE-O 2.82Å
149	I	99	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.4	-175.8	-60.1	159.4	0	0	0	108.2	L99 T134 F138 M141 M151 V181 V190 L191 C192 N193	L99-I149 HydrophobicContact CB-CG1 4.42Å; L99-I149 CarbonylContact O-C 3.44Å; L99-I149 WeakPolarHBondContact O-CA 3.47Å; T134-I149 HydrophobicContact CG2-CD1 3.93Å; T134-I149 HydrophobicContact CG2-CG2 4.46Å; F138-I149 HydrophobicContact CD2-CD1 4.09Å; F138-I149 HydrophobicContact CE2-CD1 4.33Å; M141-I149 HydrophobicContact CE-CG1 4Å; M141-I149 HydrophobicContact SD-CD1 3.86Å; M141-I149 HydrophobicContact SD-CG1 3.8Å; I149-M151 HydrophobicContact CG2-CE 3.95Å; I149-M151 HydrophobicContact CG2-SD 4.49Å; I149-V181 HydrophobicContact CD1-CG1 3.86Å; I149-V190 HydrophobicContact CD1-CG1 3.74Å; I149-L191 PolarHBondContact N-O 3.44Å; I149-C192 HydrophobicContact CB-CB 4.22Å; I149-C192 WeakPolarHBondContact O-CA 3.41Å; I149-N193 PolarHBondContact O-N 2.95Å
150	I	98.9	Very high	97.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.8	174.9	-56.9	-64.9	0	0	0	108.4	L99 V100 N101 N193 I195 V225 L228 C229	L99-I150 PolarHBondContact O-N 3.05Å; V100-I150 HydrophobicContact CB-CB 4.44Å; V100-I150 HydrophobicContact CG1-CB 4.14Å; V100-I150 HydrophobicContact CG1-CG2 4.26Å; V100-I150 HydrophobicContact CG2-CB 4.28Å; V100-I150 HydrophobicContact CG2-CG1 4.26Å; N101-I150 WeakPolarHBondContact CB-O 3.33Å; N101-I150 PolarHBondContact N-O 2.89Å; I150-N193 WeakPolarHBondContact CA-O 3.29Å; I150-N193 HydrophobicContact CD1-CB 4.19Å; I150-I195 HydrophobicContact CG2-CB 4.07Å; I150-I195 HydrophobicContact CG2-CG2 3.55Å; I150-V225 HydrophobicContact CG1-CG1 4.21Å; I150-V225 HydrophobicContact CG2-CG1 4.45Å; I150-L228 HydrophobicContact CD1-CB 3.69Å; I150-L228 HydrophobicContact CD1-CD1 4.09Å; I150-C229 WeakPolarHBondContact CG1-SG 3.32Å
151	M	98.9	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.1	167.4	-59	-61.7	-177.3	0	0	109.2	N101 T134 I149 L174 L177 A178 N193 V194 I195	N101-M151 HydrophobicContact CB-SD 4.07Å; N101-M151 PolarHBondContact ND2-SD 3.27Å; N101-M151 VanDerWaalsContact ND2-SD 3.41Å; T134-M151 HydrophobicContact CG2-CE 4.27Å; T134-M151 WeakPolarHBondContact OG1-CE 3.44Å; I149-M151 HydrophobicContact CG2-CE 3.95Å; I149-M151 HydrophobicContact CG2-SD 4.49Å; M151-L174 HydrophobicContact CB-CB 4.32Å; M151-L174 HydrophobicContact SD-CD2 4.23Å; M151-L177 HydrophobicContact CE-CD2 3.72Å; M151-L177 HydrophobicContact CE-CG 3.92Å; M151-L177 HydrophobicContact SD-CD2 4.29Å; M151-A178 HydrophobicContact CB-CB 4.4Å; M151-A178 HydrophobicContact CG-CB 3.89Å; M151-N193 PolarHBondContact N-O 2.77Å; M151-V194 HydrophobicContact CB-CG2 4.28Å; M151-V194 CarbonylContact O-C 3.53Å; M151-V194 VanDerWaalsContact O-CA 3.29Å; M151-V194 WeakPolarHBondContact O-CA 3.31Å; M151-V194 WeakPolarHBondContact O-CG1 3.47Å; M151-I195 PolarHBondContact O-N 3.27Å
152	T	98.6	Very high	96.7	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.7	177.6	-60.7	0	0	0	0	110.9	N101 K171 L174 I195 P197	N101-T152 WeakPolarHBondContact O-CB 3.49Å; N101-T152 PolarHBondContact O-N 2.91Å; N101-T152 PolarHBondContact O-OG1 2.97Å; T152-K171 WeakPolarHBondContact O-CD 3.29Å; T152-K171 PolarHBondContact O-NZ 3.17Å; T152-L174 WeakPolarHBondContact O-CD1 3.48Å; T152-I195 HydrophobicContact CG2-CG2 4.23Å; T152-P197 HydrophobicContact CG2-CG 3.84Å
153	S	97.7	Very high	96.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	23%	0.228	C	C	.	.			trans	-89.9	-153.9	172.1	-166.3	0	0	0	0	111.2	K171 I195	S153-K171 PolarHBondContact O-NZ 2.8Å; S153-K171 PolarHBondContact OG-O 2.83Å; S153-I195 PolarHBondContact N-O 2.74Å
154	S	95.8	Very high	96.3	Very high	18 Å²	18	37.2 Å²	37.2	13%	0.126	19%	0.191	C	C	.	.			trans	-163.9	150.7	-176.7	175.3	0	0	0	0	109.9	S156 G157 I158	S154-S156 WeakPolarHBondContact CB-OG 3.1Å; S154-S156 PolarHBondContact O-N 2.95Å; S154-S156 PolarHBondContact OG-N 3.01Å; S154-S156 VanDerWaalsContact OG-N 3.12Å; S154-S156 PolarHBondContact OG-OG 2.96Å; S154-G157 WeakPolarHBondContact O-CA 3.48Å; S154-G157 PolarHBondContact O-N 2.86Å; S154-I158 PolarHBondContact O-N 3.37Å
155	N	94.6	Very high	96.3	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-34.4	169.1	-80.3	-16.7	0	0	0	111.4	G157 I158 Y159 V196 T198 E241	N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 2.92Å; N155-I158 PolarHBondContact O-N 2.85Å; N155-Y159 HydrophobicContact CB-CD2 4.11Å; N155-Y159 HydrophobicContact CB-CE2 4.44Å; N155-Y159 VanDerWaalsContact O-CD2 3.28Å; N155-Y159 WeakPolarHBondContact O-CD2 3.41Å; N155-Y159 PolarHBondContact O-N 2.9Å; N155-V196 VanDerWaalsContact N-CG1 3.33Å; N155-V196 VanDerWaalsContact OD1-CG1 3.31Å; N155-V196 WeakPolarHBondContact OD1-CG1 3.24Å; N155-T198 PolarHBondContact ND2-OG1 2.87Å; N155-E241 PolarHBondContact ND2-OE1 2.99Å; N155-E241 PolarHBondContact OD1-OE1 3.12Å
156	S	93.4	Very high	96.2	Very high	11 Å²	11	32.7 Å²	32.7	8%	0.077	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-29.1	172.7	67	0	0	0	0	113.2	S154 G160 Y167 T168	S154-S156 WeakPolarHBondContact CB-OG 3.1Å; S154-S156 PolarHBondContact O-N 2.95Å; S154-S156 PolarHBondContact OG-N 3.01Å; S154-S156 VanDerWaalsContact OG-N 3.12Å; S154-S156 PolarHBondContact OG-OG 2.96Å; S156-G160 CarbonylContact O-C 3.47Å; S156-G160 WeakPolarHBondContact O-CA 3.39Å; S156-G160 PolarHBondContact O-N 3.13Å; S156-Y167 WeakPolarHBondContact OG-CD1 3.33Å; S156-Y167 WeakPolarHBondContact OG-CE1 3.06Å; S156-T168 WeakPolarHBondContact O-CG2 3.38Å; S156-T168 PolarHBondContact O-OG1 3.28Å
157	G	94.6	Very high	96.2	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-56	170.5	0	0	0	0	0	109.4	S154 N155 M172	S154-G157 WeakPolarHBondContact O-CA 3.48Å; S154-G157 PolarHBondContact O-N 2.86Å; N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 2.92Å; G157-M172 WeakPolarHBondContact O-CG 3.38Å
158	I	95.2	Very high	96.1	Very high	49 Å²	49	35 Å²	35	25%	0.251	18%	0.182	S	C	.	.	H	α-helix	trans	-68.9	-43.8	-171.5	-64.8	151	0	0	0	112.7	S154 N155 M172 I175 V196 L250	S154-I158 PolarHBondContact O-N 3.37Å; N155-I158 PolarHBondContact O-N 2.85Å; I158-M172 VanDerWaalsContact CA-SD 3.52Å; I158-M172 HydrophobicContact CB-SD 4.37Å; I158-M172 HydrophobicContact CG1-SD 3.97Å; I158-I175 HydrophobicContact CD1-CD1 4.25Å; I158-I175 HydrophobicContact CG1-CD1 3.79Å; I158-V196 HydrophobicContact CD1-CB 4.4Å; I158-V196 HydrophobicContact CD1-CG1 3.75Å; I158-V196 HydrophobicContact CD1-CG2 3.82Å; I158-L250 HydrophobicContact CD1-CD1 3.47Å; I158-L250 VanDerWaalsContact CD1-CD1 3.47Å
159	Y	94.8	Very high	96.1	Very high	154 Å²	154	36.6 Å²	36.6	60%	0.604	20%	0.197	S	C	*	.	H	α-helix	trans	-106.5	-6.8	-170.7	-54.8	-65.7	0	0	0	113.7	N155	N155-Y159 HydrophobicContact CB-CD2 4.11Å; N155-Y159 HydrophobicContact CB-CE2 4.44Å; N155-Y159 VanDerWaalsContact O-CD2 3.28Å; N155-Y159 WeakPolarHBondContact O-CD2 3.41Å; N155-Y159 PolarHBondContact O-N 2.9Å
160	G	93.6	Very high	96	Very high	37 Å²	37	36.6 Å²	36.6	38%	0.381	20%	0.197	S	C	.	.			trans	74.7	158	-168.6	0	0	0	0	0	112.6	S156	S156-G160 CarbonylContact O-C 3.47Å; S156-G160 WeakPolarHBondContact O-CA 3.39Å; S156-G160 PolarHBondContact O-N 3.13Å
161	N	93.5	Very high	96	Very high	97 Å²	97	36.9 Å²	36.9	52%	0.519	20%	0.198	S	C	.	.			trans	-150.8	142.7	168.6	-171.1	25.8	0	0	0	110.2	G163 Q164	N161-G163 PolarHBondContact O-N 2.62Å; N161-Q164 HydrophobicContact CB-CB 4.32Å; N161-Q164 HydrophobicContact CB-CG 4.37Å; N161-Q164 PolarHBondContact ND2-OE1 2.76Å; N161-Q164 PolarHBondContact O-N 3.37Å
162	F	92.9	Very high	96	Very high	180 Å²	180	39.9 Å²	39.9	79%	0.789	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	135.5	-179.3	178.9	-94.9	0	0	0	110.7	Q164	F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.41Å
163	G	93.9	Very high	96	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	5.2	179.8	0	0	0	0	0	114.9	D108 R109 N161	D108-G163 CarbonylContact C-O 3.55Å; D108-G163 WeakPolarHBondContact CA-O 3.4Å; R109-G163 CarbonylContact C-O 3.52Å; R109-G163 PolarHBondContact N-O 3.43Å; R109-G163 CarbonylContact O-C 3.16Å; R109-G163 VanDerWaalsContact O-CA 3.31Å; R109-G163 WeakPolarHBondContact O-CA 3.08Å; N161-G163 PolarHBondContact O-N 2.62Å
164	Q	95.1	Very high	96	Very high	17 Å²	17	40.7 Å²	40.7	8%	0.079	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-121.9	37.9	-175	-63.5	-160.4	-52.7	0	0	112.6	D108 N161 F162 N166 Y167 T168	D108-Q164 PolarHBondContact OD1-NE2 3.4Å; D108-Q164 PolarHBondContact OD2-NE2 2.87Å; N161-Q164 HydrophobicContact CB-CB 4.32Å; N161-Q164 HydrophobicContact CB-CG 4.37Å; N161-Q164 PolarHBondContact ND2-OE1 2.76Å; N161-Q164 PolarHBondContact O-N 3.37Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.41Å; Q164-N166 PolarHBondContact O-N 3.4Å; Q164-Y167 HydrophobicContact CB-CD1 4.47Å; Q164-Y167 PolarHBondContact O-N 2.9Å; Q164-T168 WeakPolarHBondContact O-CA 3.39Å; Q164-T168 WeakPolarHBondContact O-CB 3.26Å; Q164-T168 PolarHBondContact O-N 3.21Å; Q164-T168 PolarHBondContact O-OG1 3.35Å
165	V	97.1	Very high	96.1	Very high	47 Å²	47	40 Å²	40	29%	0.285	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-44.9	-174.5	65.6	0	0	0	0	112.8	L111 T114 W119 A169	L111-V165 HydrophobicContact CD1-CB 4.38Å; L111-V165 HydrophobicContact CD1-CG1 4.31Å; L111-V165 HydrophobicContact CD1-CG2 3.81Å; T114-V165 HydrophobicContact CG2-CG1 4.15Å; T114-V165 VanDerWaalsContact OG1-CG1 3.31Å; T114-V165 WeakPolarHBondContact OG1-CG1 3.48Å; W119-V165 HydrophobicContact CZ3-CG2 4.39Å; V165-A169 WeakPolarHBondContact O-CB 3.28Å; V165-A169 PolarHBondContact O-N 3.01Å; V165-A169 VanDerWaalsContact O-N 3.12Å
166	N	97.4	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-46.8	176.9	52.5	-3.9	0	0	0	111.4	R107 T114 D118 W119 V122 Q164 A170	R107-N166 PolarHBondContact O-ND2 2.82Å; T114-N166 HydrophobicContact CG2-CB 4.41Å; D118-N166 PolarHBondContact O-ND2 2.83Å; W119-N166 HydrophobicContact CD2-CB 4.43Å; W119-N166 HydrophobicContact CE3-CB 3.73Å; W119-N166 HydrophobicContact CZ3-CB 4.25Å; V122-N166 HydrophobicContact CB-CB 4.17Å; V122-N166 HydrophobicContact CG1-CB 4.09Å; Q164-N166 PolarHBondContact O-N 3.4Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3Å
167	Y	96.9	Very high	96.6	Very high	32 Å²	32	41.1 Å²	41.1	13%	0.125	23%	0.232	C	C	.	.	H	α-helix	trans	-67.8	-45.4	-178.2	-177	-103.6	0	0	0	112	L106 V122 H126 S156 Q164 A169 A170 K171	L106-Y167 HydrophobicContact CD2-CD1 4.31Å; L106-Y167 HydrophobicContact CD2-CD2 3.69Å; L106-Y167 HydrophobicContact CD2-CE1 4.27Å; L106-Y167 HydrophobicContact CD2-CE2 3.63Å; L106-Y167 HydrophobicContact CD2-CG 4.04Å; V122-Y167 HydrophobicContact CG1-CD2 4.45Å; H126-Y167 AromaticContact CE1-CE2 3.52Å; H126-Y167 AromaticContact NE2-CD2 3.69Å; H126-Y167 AromaticContact NE2-CE2 3.56Å; S156-Y167 WeakPolarHBondContact OG-CD1 3.33Å; S156-Y167 WeakPolarHBondContact OG-CE1 3.06Å; Q164-Y167 HydrophobicContact CB-CD1 4.47Å; Q164-Y167 PolarHBondContact O-N 2.9Å; Y167-A169 PolarHBondContact O-N 3.18Å; Y167-A170 PolarHBondContact O-N 2.73Å; Y167-K171 HydrophobicContact CD1-CG 4.14Å; Y167-K171 HydrophobicContact CD2-CG 4.27Å; Y167-K171 HydrophobicContact CE1-CG 3.91Å; Y167-K171 HydrophobicContact CE2-CD 4.27Å; Y167-K171 HydrophobicContact CE2-CG 4.05Å; Y167-K171 HydrophobicContact CG-CG 4.31Å; Y167-K171 VanDerWaalsContact O-CB 3.31Å; Y167-K171 WeakPolarHBondContact O-CB 3.16Å; Y167-K171 WeakPolarHBondContact O-CG 3.26Å; Y167-K171 PolarHBondContact O-N 3.05Å; Y167-K171 VanDerWaalsContact OH-CE 3.26Å; Y167-K171 WeakPolarHBondContact OH-CE 3.36Å
168	T	97.3	Very high	96.7	Very high	26 Å²	26	41 Å²	41	16%	0.16	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-49.7	174.7	-62.5	0	0	0	0	110.8	S156 Q164 A170 K171 M172	S156-T168 WeakPolarHBondContact O-CG2 3.38Å; S156-T168 PolarHBondContact O-OG1 3.28Å; Q164-T168 WeakPolarHBondContact O-CA 3.39Å; Q164-T168 WeakPolarHBondContact O-CB 3.26Å; Q164-T168 PolarHBondContact O-N 3.21Å; Q164-T168 PolarHBondContact O-OG1 3.35Å; T168-A170 PolarHBondContact O-N 3.04Å; T168-K171 PolarHBondContact O-N 2.89Å; T168-M172 PolarHBondContact O-N 3.24Å
169	A	98.4	Very high	96.9	Very high	41 Å²	41	40.8 Å²	40.8	34%	0.339	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-47.4	178	0	0	0	0	0	111.8	W119 V165 Y167 K171 G173	W119-A169 HydrophobicContact CH2-CB 3.89Å; W119-A169 HydrophobicContact CZ3-CB 4.36Å; V165-A169 WeakPolarHBondContact O-CB 3.28Å; V165-A169 PolarHBondContact O-N 3.01Å; V165-A169 VanDerWaalsContact O-N 3.12Å; Y167-A169 PolarHBondContact O-N 3.18Å; A169-K171 PolarHBondContact O-N 3.47Å; A169-G173 PolarHBondContact O-N 2.81Å
170	A	98.5	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-42.2	178.4	0	0	0	0	0	112.3	V122 H126 L127 N166 Y167 T168 G173 L174	V122-A170 HydrophobicContact CG1-CB 4.32Å; H126-A170 HydrophobicContact CB-CB 3.95Å; L127-A170 HydrophobicContact CB-CB 4.45Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3Å; Y167-A170 PolarHBondContact O-N 2.73Å; T168-A170 PolarHBondContact O-N 3.04Å; A170-G173 PolarHBondContact O-N 3.08Å; A170-L174 PolarHBondContact O-N 3.49Å; A170-L174 VanDerWaalsContact O-N 3.09Å
171	K	98.4	Very high	97.3	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-71.1	-34.2	-177.7	-69.3	-74.6	174.8	167.9	0	113.2	H126 T152 S153 Y167 T168 A169 L174	H126-K171 VanDerWaalsContact CE1-CE 3.48Å; H126-K171 WeakPolarHBondContact CE1-CE 3.12Å; H126-K171 VanDerWaalsContact ND1-CE 3.33Å; H126-K171 WeakPolarHBondContact ND1-CE 3.4Å; T152-K171 WeakPolarHBondContact O-CD 3.29Å; T152-K171 PolarHBondContact O-NZ 3.17Å; S153-K171 PolarHBondContact O-NZ 2.8Å; S153-K171 PolarHBondContact OG-O 2.83Å; Y167-K171 HydrophobicContact CD1-CG 4.14Å; Y167-K171 HydrophobicContact CD2-CG 4.27Å; Y167-K171 HydrophobicContact CE1-CG 3.91Å; Y167-K171 HydrophobicContact CE2-CD 4.27Å; Y167-K171 HydrophobicContact CE2-CG 4.05Å; Y167-K171 HydrophobicContact CG-CG 4.31Å; Y167-K171 VanDerWaalsContact O-CB 3.31Å; Y167-K171 WeakPolarHBondContact O-CB 3.16Å; Y167-K171 WeakPolarHBondContact O-CG 3.26Å; Y167-K171 PolarHBondContact O-N 3.05Å; Y167-K171 VanDerWaalsContact OH-CE 3.26Å; Y167-K171 WeakPolarHBondContact OH-CE 3.36Å; T168-K171 PolarHBondContact O-N 2.89Å; A169-K171 PolarHBondContact O-N 3.47Å; K171-L174 HydrophobicContact CD-CD1 4.18Å; K171-L174 PolarHBondContact O-N 3.4Å
172	M	98.1	Very high	97.5	Very high	63 Å²	63	31.3 Å²	31.3	31%	0.31	19%	0.185	S	C	.	.	H	α-helix	trans	-71.7	-35.9	167.9	-75.2	-56.5	-76.7	0	0	112.6	G157 I158 T168 L174 I175 G176 M252	G157-M172 WeakPolarHBondContact O-CG 3.38Å; I158-M172 VanDerWaalsContact CA-SD 3.52Å; I158-M172 HydrophobicContact CB-SD 4.37Å; I158-M172 HydrophobicContact CG1-SD 3.97Å; T168-M172 PolarHBondContact O-N 3.24Å; M172-L174 PolarHBondContact O-N 3.35Å; M172-I175 HydrophobicContact CE-CD1 4.43Å; M172-I175 WeakPolarHBondContact O-CB 3.28Å; M172-I175 PolarHBondContact O-N 2.74Å; M172-I175 HydrophobicContact SD-CD1 3.8Å; M172-G176 PolarHBondContact O-N 3.13Å; M172-G176 VanDerWaalsContact O-N 3.16Å; M172-M252 HydrophobicContact CE-CE 4.49Å
173	G	98.6	Very high	97.8	Very high	23 Å²	23	29 Å²	29	24%	0.237	18%	0.179	C	C	.	.	H	α-helix	trans	-55.4	-35	172.5	0	0	0	0	0	112.6	A169 A170 G176 L177	A169-G173 PolarHBondContact O-N 2.81Å; A170-G173 PolarHBondContact O-N 3.08Å; G173-G176 PolarHBondContact O-N 3.22Å; G173-L177 WeakPolarHBondContact O-CB 3.26Å; G173-L177 PolarHBondContact O-N 3.37Å
174	L	98.8	Very high	98	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-34.1	175.6	-71.1	174.3	0	0	0	113.7	L127 S130 M151 T152 A170 K171 M172 L177 A178	L127-L174 HydrophobicContact CD1-CD2 4.01Å; L127-L174 HydrophobicContact CD1-CG 4.33Å; S130-L174 VanDerWaalsContact CB-CD2 3.49Å; S130-L174 WeakPolarHBondContact OG-CD2 3.42Å; M151-L174 HydrophobicContact CB-CB 4.32Å; M151-L174 HydrophobicContact SD-CD2 4.23Å; T152-L174 WeakPolarHBondContact O-CD1 3.48Å; A170-L174 PolarHBondContact O-N 3.49Å; A170-L174 VanDerWaalsContact O-N 3.09Å; K171-L174 HydrophobicContact CD-CD1 4.18Å; K171-L174 PolarHBondContact O-N 3.4Å; M172-L174 PolarHBondContact O-N 3.35Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 3.34Å; L174-A178 PolarHBondContact O-N 3.12Å
175	I	98.3	Very high	98.1	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-47.4	173	-70.8	171.4	0	0	0	109.7	I158 M172 L177 A178 N179 V194 Y239 M252	I158-I175 HydrophobicContact CD1-CD1 4.25Å; I158-I175 HydrophobicContact CG1-CD1 3.79Å; M172-I175 HydrophobicContact CE-CD1 4.43Å; M172-I175 WeakPolarHBondContact O-CB 3.28Å; M172-I175 PolarHBondContact O-N 2.74Å; M172-I175 HydrophobicContact SD-CD1 3.8Å; I175-L177 VanDerWaalsContact C-N 3.32Å; I175-L177 PolarHBondContact O-N 3.27Å; I175-A178 PolarHBondContact O-N 3.22Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.1Å; I175-N179 PolarHBondContact O-OD1 3.05Å; I175-V194 HydrophobicContact CG1-CG1 4.02Å; I175-V194 HydrophobicContact CG1-CG2 4.22Å; I175-Y239 HydrophobicContact CG2-CD1 4.31Å; I175-Y239 HydrophobicContact CG2-CD2 4.28Å; I175-Y239 HydrophobicContact CG2-CE1 3.78Å; I175-Y239 HydrophobicContact CG2-CE2 3.73Å; I175-Y239 VanDerWaalsContact CG2-CZ 3.46Å; I175-M252 HydrophobicContact CG2-CE 4.36Å
176	G	98	Very high	98.2	Very high	39 Å²	39	33.5 Å²	33.5	40%	0.402	20%	0.202	S	C	.	.	H	α-helix	trans	-58.6	-42.6	175.6	0	0	0	0	0	112.7	M172 G173 N179 T180	M172-G176 PolarHBondContact O-N 3.13Å; M172-G176 VanDerWaalsContact O-N 3.16Å; G173-G176 PolarHBondContact O-N 3.22Å; G176-N179 PolarHBondContact O-N 3.15Å; G176-T180 PolarHBondContact O-N 3.32Å
177	L	98.7	Very high	98.2	Very high	32 Å²	32	44.8 Å²	44.8	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-45.9	174.9	178.7	62.8	0	0	0	111.7	L127 F131 M151 G173 L174 I175 N179 T180 V181	L127-L177 HydrophobicContact CD1-CB 4.49Å; L127-L177 HydrophobicContact CD1-CD2 4.36Å; F131-L177 HydrophobicContact CB-CD2 3.98Å; F131-L177 HydrophobicContact CD2-CD1 4.07Å; M151-L177 HydrophobicContact CE-CD2 3.72Å; M151-L177 HydrophobicContact CE-CG 3.92Å; M151-L177 HydrophobicContact SD-CD2 4.29Å; G173-L177 WeakPolarHBondContact O-CB 3.26Å; G173-L177 PolarHBondContact O-N 3.37Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; I175-L177 VanDerWaalsContact C-N 3.32Å; I175-L177 PolarHBondContact O-N 3.27Å; L177-N179 VanDerWaalsContact C-N 3.29Å; L177-N179 PolarHBondContact O-N 2.93Å; L177-T180 PolarHBondContact O-N 3.06Å; L177-V181 HydrophobicContact CD1-CG2 4.03Å; L177-V181 HydrophobicContact CG-CG2 4.29Å; L177-V181 VanDerWaalsContact O-CG2 3.28Å; L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 3.38Å
178	A	98.6	Very high	98.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-41.5	179.8	0	0	0	0	0	112	M151 L174 I175 T180 V181 A182 V194	M151-A178 HydrophobicContact CB-CB 4.4Å; M151-A178 HydrophobicContact CG-CB 3.89Å; L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 3.34Å; L174-A178 PolarHBondContact O-N 3.12Å; I175-A178 PolarHBondContact O-N 3.22Å; A178-T180 PolarHBondContact O-N 3.38Å; A178-V181 PolarHBondContact O-N 2.82Å; A178-A182 VanDerWaalsContact O-CB 3.24Å; A178-A182 WeakPolarHBondContact O-CB 3.41Å; A178-A182 PolarHBondContact O-N 2.91Å; A178-V194 HydrophobicContact CB-CG2 3.36Å
179	N	97.5	Very high	98.3	Very high	44 Å²	44	46.7 Å²	46.7	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-49.5	179.2	-68.7	-12.7	0	0	0	112.2	I175 G176 L177 A182 I183 Y239	I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.1Å; I175-N179 PolarHBondContact O-OD1 3.05Å; G176-N179 PolarHBondContact O-N 3.15Å; L177-N179 VanDerWaalsContact C-N 3.29Å; L177-N179 PolarHBondContact O-N 2.93Å; N179-A182 PolarHBondContact O-N 3.35Å; N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.28Å; N179-I183 WeakPolarHBondContact O-CG1 3.26Å; N179-I183 PolarHBondContact O-N 3Å; N179-I183 VanDerWaalsContact O-N 3.16Å; N179-Y239 VanDerWaalsContact CG-OH 3.26Å; N179-Y239 PolarHBondContact ND2-OH 2.96Å; N179-Y239 WeakPolarHBondContact OD1-CE1 3.46Å; N179-Y239 PolarHBondContact OD1-OH 3.27Å
180	T	98.5	Very high	98.4	Very high	74 Å²	74	44.8 Å²	44.8	45%	0.454	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-41.9	179.5	-56.9	0	0	0	0	111.4	G176 L177 A178 A182 I183 E184	G176-T180 PolarHBondContact O-N 3.32Å; L177-T180 PolarHBondContact O-N 3.06Å; A178-T180 PolarHBondContact O-N 3.38Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.43Å; T180-I183 PolarHBondContact O-N 2.69Å; T180-E184 HydrophobicContact CG2-CG 4.33Å; T180-E184 WeakPolarHBondContact O-CG 3.42Å; T180-E184 PolarHBondContact O-N 2.78Å
181	V	98.8	Very high	98.4	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-40.1	177.9	175.8	0	0	0	0	111.3	T134 F138 I149 L177 A178 I183 E184 G185 C192	T134-V181 HydrophobicContact CG2-CG1 4.03Å; T134-V181 HydrophobicContact CG2-CG2 4.13Å; F138-V181 HydrophobicContact CD2-CG1 4.38Å; F138-V181 HydrophobicContact CE2-CG1 3.79Å; I149-V181 HydrophobicContact CD1-CG1 3.86Å; L177-V181 HydrophobicContact CD1-CG2 4.03Å; L177-V181 HydrophobicContact CG-CG2 4.29Å; L177-V181 VanDerWaalsContact O-CG2 3.28Å; L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 3.38Å; A178-V181 PolarHBondContact O-N 2.82Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.2Å; V181-E184 PolarHBondContact O-N 3.17Å; V181-G185 PolarHBondContact O-N 2.8Å; V181-C192 HydrophobicContact CB-CB 4.07Å; V181-C192 HydrophobicContact CG1-CB 3.69Å
182	A	98.5	Very high	98.4	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-41.8	175.8	0	0	0	0	0	111.8	A178 N179 T180 A186 C192 N236	A178-A182 VanDerWaalsContact O-CB 3.24Å; A178-A182 WeakPolarHBondContact O-CB 3.41Å; A178-A182 PolarHBondContact O-N 2.91Å; N179-A182 PolarHBondContact O-N 3.35Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.43Å; A182-A186 WeakPolarHBondContact O-CB 3.17Å; A182-A186 PolarHBondContact O-N 2.67Å; A182-C192 HydrophobicContact CB-CB 4.15Å; A182-N236 WeakPolarHBondContact CA-OD1 3.2Å; A182-N236 VanDerWaalsContact CB-OD1 3.26Å; A182-N236 WeakPolarHBondContact CB-OD1 3.31Å; A182-N236 PolarHBondContact O-ND2 2.85Å
183	I	98.1	Very high	98.4	Very high	131 Å²	131	42.3 Å²	42.3	67%	0.672	23%	0.228	S	C	*	.	H	α-helix	trans	-67.7	-49.5	177.3	-66.9	163.3	0	0	0	110.9	N179 T180 V181 G185	N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.28Å; N179-I183 WeakPolarHBondContact O-CG1 3.26Å; N179-I183 PolarHBondContact O-N 3Å; N179-I183 VanDerWaalsContact O-N 3.16Å; T180-I183 PolarHBondContact O-N 2.69Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.2Å; I183-G185 VanDerWaalsContact C-N 3.29Å; I183-G185 PolarHBondContact O-N 2.87Å
184	E	98.4	Very high	98.5	Very high	121 Å²	121	41.2 Å²	41.2	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-67.5	-29.4	-178	-71.6	-174.8	-172.8	0	0	113	F138 T180 V181	F138-E184 HydrophobicContact CE1-CB 4.47Å; F138-E184 HydrophobicContact CZ-CB 4.12Å; T180-E184 HydrophobicContact CG2-CG 4.33Å; T180-E184 WeakPolarHBondContact O-CG 3.42Å; T180-E184 PolarHBondContact O-N 2.78Å; V181-E184 PolarHBondContact O-N 3.17Å
185	G	98.6	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-86.6	-22.3	-177.2	0	0	0	0	0	114.9	V181 I183 R187 N188 N189 V190	V181-G185 PolarHBondContact O-N 2.8Å; I183-G185 VanDerWaalsContact C-N 3.29Å; I183-G185 PolarHBondContact O-N 2.87Å; G185-R187 VanDerWaalsContact C-N 3.33Å; G185-R187 PolarHBondContact O-N 2.93Å; G185-N188 CarbonylContact O-C 3.6Å; G185-N188 PolarHBondContact O-N 2.88Å; G185-N189 PolarHBondContact O-N 3.28Å; G185-V190 CarbonylContact C-O 3.57Å; G185-V190 VanDerWaalsContact CA-O 3.26Å; G185-V190 WeakPolarHBondContact CA-O 3.4Å; G185-V190 PolarHBondContact O-N 2.99Å
186	A	97.9	Very high	98.4	Very high	51 Å²	51	41 Å²	41	42%	0.421	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-52.9	-45.4	-170.9	0	0	0	0	0	113.5	A182 N188 N189	A182-A186 WeakPolarHBondContact O-CB 3.17Å; A182-A186 PolarHBondContact O-N 2.67Å; A186-N188 PolarHBondContact O-N 2.83Å; A186-N188 VanDerWaalsContact O-N 3.1Å; A186-N189 PolarHBondContact O-N 2.79Å
187	R	97.9	Very high	98.4	Very high	237 Å²	237	40 Å²	40	89%	0.894	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-65.9	-13.7	-178.8	-67.7	-174.9	-179.4	178.3	0.7	114.3	G185	G185-R187 VanDerWaalsContact C-N 3.33Å; G185-R187 PolarHBondContact O-N 2.93Å
188	N	98.5	Very high	98	Very high	45 Å²	45	40.6 Å²	40.6	24%	0.241	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-118.6	18.7	-178.4	-63.1	109.6	0	0	0	112.4	K142 N145 G185 A186 V190	K142-N188 HydrophobicContact CB-CB 4.35Å; K142-N188 WeakPolarHBondContact CE-OD1 3.19Å; K142-N188 HydrophobicContact CG-CB 4.07Å; N145-N188 CarbonylContact C-O 3.6Å; N145-N188 WeakPolarHBondContact CA-O 3.48Å; N145-N188 WeakPolarHBondContact OD1-CA 3.41Å; N145-N188 PolarHBondContact OD1-O 3.12Å; N145-N188 VanDerWaalsContact OD1-O 3.13Å; G185-N188 CarbonylContact O-C 3.6Å; G185-N188 PolarHBondContact O-N 2.88Å; A186-N188 PolarHBondContact O-N 2.83Å; A186-N188 VanDerWaalsContact O-N 3.1Å; N188-V190 HydrophobicContact CB-CG2 4.21Å; N188-V190 PolarHBondContact O-N 2.95Å; N188-V190 VanDerWaalsContact O-N 3.15Å
189	N	98.4	Very high	97.2	Very high	53 Å²	53	42 Å²	42	28%	0.283	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	36.5	-176.6	-178.4	33	0	0	0	112.3	N145 Y146 G147 R148 G185 A186	N145-N189 WeakPolarHBondContact O-CB 3.25Å; N145-N189 PolarHBondContact O-ND2 3.09Å; Y146-N189 WeakPolarHBondContact CA-O 3.4Å; G147-N189 PolarHBondContact N-O 2.91Å; R148-N189 PolarHBondContact NH1-O 2.79Å; R148-N189 PolarHBondContact NH1-OD1 3.24Å; R148-N189 PolarHBondContact NH2-OD1 3.01Å; G185-N189 PolarHBondContact O-N 3.28Å; A186-N189 PolarHBondContact O-N 2.79Å
190	V	98.8	Very high	96.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	102.6	170.6	-178	0	0	0	0	106.8	F138 M141 K142 G147 I149 G185 N188	F138-V190 HydrophobicContact CD2-CG1 3.95Å; F138-V190 HydrophobicContact CE2-CB 4.31Å; F138-V190 HydrophobicContact CE2-CG1 3.58Å; F138-V190 HydrophobicContact CZ-CG1 4.41Å; M141-V190 HydrophobicContact CB-CG1 4.26Å; M141-V190 HydrophobicContact CB-CG2 3.72Å; M141-V190 HydrophobicContact SD-CG1 4.1Å; K142-V190 HydrophobicContact CG-CG2 4.35Å; G147-V190 WeakPolarHBondContact O-CA 3.38Å; I149-V190 HydrophobicContact CD1-CG1 3.74Å; G185-V190 CarbonylContact C-O 3.57Å; G185-V190 VanDerWaalsContact CA-O 3.26Å; G185-V190 WeakPolarHBondContact CA-O 3.4Å; G185-V190 PolarHBondContact O-N 2.99Å; N188-V190 HydrophobicContact CB-CG2 4.21Å; N188-V190 PolarHBondContact O-N 2.95Å; N188-V190 VanDerWaalsContact O-N 3.15Å
191	L	98.9	Very high	94.8	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.2	-176.4	-46.5	-176.2	0	0	0	109.7	G147 R148 I149 N236	G147-L191 PolarHBondContact O-N 3.22Å; R148-L191 WeakPolarHBondContact CA-O 3.46Å; I149-L191 PolarHBondContact N-O 3.44Å; L191-N236 VanDerWaalsContact CA-OD1 3.28Å; L191-N236 WeakPolarHBondContact CA-OD1 3.32Å; L191-N236 HydrophobicContact CB-CB 4.3Å; L191-N236 HydrophobicContact CD2-CB 3.98Å
192	C	98.9	Very high	93	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.8	179.1	-170.9	0	0	0	0	109.8	I149 V181 A182 N236 G237	I149-C192 HydrophobicContact CB-CB 4.22Å; I149-C192 WeakPolarHBondContact O-CA 3.41Å; V181-C192 HydrophobicContact CB-CB 4.07Å; V181-C192 HydrophobicContact CG1-CB 3.69Å; A182-C192 HydrophobicContact CB-CB 4.15Å; C192-N236 PolarHBondContact N-OD1 3.32Å; C192-G237 WeakPolarHBondContact O-CA 3.45Å; C192-G237 PolarHBondContact O-N 3.16Å
193	N	98.9	Very high	90.8	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164.1	177.8	-65.4	-58	0	0	0	110.3	I149 I150 M151 L228 D235 N236 G237 S238	I149-N193 PolarHBondContact O-N 2.95Å; I150-N193 WeakPolarHBondContact CA-O 3.29Å; I150-N193 HydrophobicContact CD1-CB 4.19Å; M151-N193 PolarHBondContact N-O 2.77Å; N193-L228 HydrophobicContact CB-CD1 4.37Å; N193-L228 HydrophobicContact CB-CD2 4.33Å; N193-D235 PolarHBondContact ND2-O 3.27Å; N193-D235 PolarHBondContact OD1-O 3.37Å; N193-N236 VanDerWaalsContact OD1-CA 3.27Å; N193-N236 WeakPolarHBondContact OD1-CA 3.36Å; N193-N236 PolarHBondContact OD1-N 3.48Å; N193-G237 PolarHBondContact OD1-N 3.03Å; N193-S238 WeakPolarHBondContact CA-O 3.48Å; N193-S238 WeakPolarHBondContact OD1-CB 3.5Å; N193-S238 PolarHBondContact OD1-N 3.23Å
194	V	98.8	Very high	89.1	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.2	177.8	-176.4	0	0	0	0	109	M151 I175 A178 V196 S238 Y239 I240	M151-V194 HydrophobicContact CB-CG2 4.28Å; M151-V194 CarbonylContact O-C 3.53Å; M151-V194 VanDerWaalsContact O-CA 3.29Å; M151-V194 WeakPolarHBondContact O-CA 3.31Å; M151-V194 WeakPolarHBondContact O-CG1 3.47Å; I175-V194 HydrophobicContact CG1-CG1 4.02Å; I175-V194 HydrophobicContact CG1-CG2 4.22Å; A178-V194 HydrophobicContact CB-CG2 3.36Å; V194-V196 HydrophobicContact CG1-CG2 4.17Å; V194-S238 PolarHBondContact N-O 3.49Å; V194-Y239 HydrophobicContact CB-CD1 3.95Å; V194-Y239 HydrophobicContact CB-CG 4.39Å; V194-Y239 HydrophobicContact CG2-CD1 3.7Å; V194-Y239 HydrophobicContact CG2-CE1 4.31Å; V194-Y239 WeakPolarHBondContact O-CA 3.43Å; V194-I240 PolarHBondContact O-N 2.88Å
195	I	98.7	Very high	87.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.1	163.5	-170	72	0	0	0	108.9	I150 M151 T152 S153 P197 I221 V224 V225 I240	I150-I195 HydrophobicContact CG2-CB 4.07Å; I150-I195 HydrophobicContact CG2-CG2 3.55Å; M151-I195 PolarHBondContact O-N 3.27Å; T152-I195 HydrophobicContact CG2-CG2 4.23Å; S153-I195 PolarHBondContact N-O 2.74Å; I195-P197 VanDerWaalsContact C-CD 3.47Å; I195-P197 HydrophobicContact CG1-CB 4.45Å; I195-P197 VanDerWaalsContact O-CD 3.29Å; I195-P197 WeakPolarHBondContact O-CD 3.46Å; I195-I221 HydrophobicContact CD1-CG2 4.22Å; I195-I221 HydrophobicContact CG1-CG2 4.21Å; I195-V224 HydrophobicContact CD1-CG1 4.04Å; I195-V225 HydrophobicContact CB-CG2 4.08Å; I195-V225 HydrophobicContact CD1-CG2 3.98Å; I195-V225 HydrophobicContact CG1-CG2 3.76Å; I195-V225 HydrophobicContact CG2-CG2 4.22Å; I195-I240 CarbonylContact C-O 3.59Å; I195-I240 WeakPolarHBondContact CA-O 3.43Å; I195-I240 HydrophobicContact CD1-CB 4.43Å; I195-I240 HydrophobicContact CD1-CG2 4.48Å
196	V	98	Very high	86.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	79.9	175.1	-169.3	0	0	0	0	107.3	N155 I158 V194 I240 E241 S242 L250	N155-V196 VanDerWaalsContact N-CG1 3.33Å; N155-V196 VanDerWaalsContact OD1-CG1 3.31Å; N155-V196 WeakPolarHBondContact OD1-CG1 3.24Å; I158-V196 HydrophobicContact CD1-CB 4.4Å; I158-V196 HydrophobicContact CD1-CG1 3.75Å; I158-V196 HydrophobicContact CD1-CG2 3.82Å; V194-V196 HydrophobicContact CG1-CG2 4.17Å; V196-I240 PolarHBondContact N-O 3.19Å; V196-E241 HydrophobicContact CB-CB 4.3Å; V196-E241 HydrophobicContact CB-CG 4.46Å; V196-E241 WeakPolarHBondContact O-CA 3.28Å; V196-S242 PolarHBondContact O-N 3.48Å; V196-S242 VanDerWaalsContact O-N 3.08Å; V196-L250 HydrophobicContact CG2-CD1 4.28Å
197	P	96.7	Very high	85	Confident	18 Å²	18	59 Å²	59	12%	0.117	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	143.6	-172.8	32.4	-34.6	0	0	0	111.6	L24 T152 I195 I221 S242	L24-P197 HydrophobicContact CD1-CB 3.73Å; L24-P197 HydrophobicContact CD1-CG 3.72Å; L24-P197 HydrophobicContact CD2-CB 4.41Å; T152-P197 HydrophobicContact CG2-CG 3.84Å; I195-P197 VanDerWaalsContact C-CD 3.47Å; I195-P197 HydrophobicContact CG1-CB 4.45Å; I195-P197 VanDerWaalsContact O-CD 3.29Å; I195-P197 WeakPolarHBondContact O-CD 3.46Å; P197-I221 HydrophobicContact CB-CD1 3.88Å; P197-I221 HydrophobicContact CB-CG2 4.28Å; P197-S242 WeakPolarHBondContact CA-O 3.28Å
198	T	91.2	Very high	84.1	Confident	46 Å²	46	50 Å²	50	28%	0.282	28%	0.275	S	S	.	.			trans	-117.9	112.6	160.5	-57.4	0	0	0	0	109.1	N155 L216 S242	N155-T198 PolarHBondContact ND2-OG1 2.87Å; T198-L216 HydrophobicContact CG2-CD1 4.31Å; T198-L216 HydrophobicContact CG2-CD2 4.02Å; T198-S242 PolarHBondContact N-O 3.02Å
199	A	82.1	Confident	83.5	Confident	30 Å²	30	51.9 Å²	51.9	25%	0.248	29%	0.29	C	S	.	.			trans	-130.1	146.7	177.1	0	0	0	0	0	110.4	L24 L216 P218 I221	L24-A199 HydrophobicContact CD1-CB 4.41Å; L24-A199 HydrophobicContact CD2-CB 4.22Å; L24-A199 HydrophobicContact CG-CB 4.37Å; A199-L216 WeakPolarHBondContact CA-O 3.35Å; A199-P218 HydrophobicContact CB-CG 4.12Å; A199-I221 HydrophobicContact CB-CD1 4.25Å
200	A	76.8	Confident	82.8	Confident	24 Å²	24	55.2 Å²	55.2	20%	0.198	31%	0.308	C	S	.	.			trans	-62.8	138	173.6	0	0	0	0	0	109.5	F213 L216	A200-F213 HydrophobicContact CB-CD2 3.73Å; A200-F213 HydrophobicContact CB-CE2 3.71Å; A200-F213 HydrophobicContact CB-CG 4.19Å; A200-F213 HydrophobicContact CB-CZ 4.15Å; A200-L216 HydrophobicContact CB-CB 3.87Å; A200-L216 VanDerWaalsContact N-CB 3.34Å; A200-L216 PolarHBondContact N-O 3.31Å
201	S	67.9	Low	82.3	Confident	57 Å²	57	61.8 Å²	61.8	40%	0.399	34%	0.342	S	S	.	.			trans	-122.5	167.1	172.8	74.1	0	0	0	0	109.9	M203 T204	S201-M203 PolarHBondContact O-N 3.46Å; S201-M203 PolarHBondContact OG-N 3.32Å; S201-T204 PolarHBondContact N-OG1 3.3Å; S201-T204 PolarHBondContact O-N 3.48Å; S201-T204 PolarHBondContact O-OG1 3.09Å
202	R	60.2	Low	81.6	Confident	233 Å²	233	64.7 Å²	64.7	88%	0.879	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.1	171.8	-68.9	-178	-179.1	169.1	0.7	112.9
203	M	52.8	Low	81	Confident	101 Å²	101	66.7 Å²	66.7	50%	0.498	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.3	180	-166.4	-179.3	-64.9	0	0	113	L106 S201 I207	L106-M203 HydrophobicContact CD1-CE 4.36Å; S201-M203 PolarHBondContact O-N 3.46Å; S201-M203 PolarHBondContact OG-N 3.32Å; M203-I207 WeakPolarHBondContact O-CD1 2.96Å
204	T	62.1	Low	80.4	Confident	38 Å²	38	70.9 Å²	70.9	23%	0.233	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.9	179.3	51.1	0	0	0	0	113.3	S201 G206 I207 L208	S201-T204 PolarHBondContact N-OG1 3.3Å; S201-T204 PolarHBondContact O-N 3.48Å; S201-T204 PolarHBondContact O-OG1 3.09Å; T204-G206 PolarHBondContact O-N 3.43Å; T204-I207 PolarHBondContact O-N 3.31Å; T204-I207 VanDerWaalsContact O-N 3.12Å; T204-L208 HydrophobicContact CG2-CD1 4.38Å; T204-L208 PolarHBondContact O-N 3.31Å
205	E	64	Low	80	Confident	133 Å²	133	75 Å²	75	62%	0.621	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	115.9	-179.7	-163.7	167	-166.5	0	0	109.6	F213	E205-F213 HydrophobicContact CB-CE2 3.84Å; E205-F213 HydrophobicContact CB-CZ 3.95Å; E205-F213 HydrophobicContact CG-CE2 4.24Å; E205-F213 HydrophobicContact CG-CZ 3.91Å
206	G	69.8	Low	79.5	Confident	75 Å²	75	75.4 Å²	75.4	77%	0.773	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-8.3	-174.5	0	0	0	0	0	116.2	T204	T204-G206 PolarHBondContact O-N 3.43Å
207	I	76.2	Confident	79.2	Confident	131 Å²	131	80.2 Å²	80.2	67%	0.672	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-44.1	173.2	-59.9	178.2	0	0	0	110.6	M203 T204	M203-I207 WeakPolarHBondContact O-CD1 2.96Å; T204-I207 PolarHBondContact O-N 3.31Å; T204-I207 VanDerWaalsContact O-N 3.12Å
208	L	77.9	Confident	79	Confident	48 Å²	48	80.9 Å²	80.9	25%	0.251	44%	0.435	S	S	.	.	S	Bend	trans	-86.1	145.9	178.9	-63	177	0	0	0	110.4	T204 D210 L212 F213 L216	T204-L208 HydrophobicContact CG2-CD1 4.38Å; T204-L208 PolarHBondContact O-N 3.31Å; L208-D210 PolarHBondContact O-N 2.86Å; L208-L212 HydrophobicContact CD2-CD2 4.17Å; L208-F213 HydrophobicContact CB-CB 4.34Å; L208-L216 HydrophobicContact CD1-CD1 3.65Å
209	P	85.7	Confident	79.1	Confident	85 Å²	85	85.6 Å²	85.6	55%	0.552	45%	0.451	S	S	*	.			trans	-54.2	137.9	168.4	-23.6	33.5	0	0	0	110.9	I211 L212 F213	P209-I211 HydrophobicContact CB-CG2 4.33Å; P209-I211 PolarHBondContact O-N 2.93Å; P209-L212 PolarHBondContact O-N 3.44Å; P209-F213 PolarHBondContact O-N 2.99Å
210	D	85.4	Confident	79.8	Confident	124 Å²	124	87 Å²	87	66%	0.663	46%	0.455	S	S	*	.	H	α-helix	trans	-52	-37.9	-174.5	-67.1	-18	0	0	0	113.3	L208 L212 F213 N214	L208-D210 PolarHBondContact O-N 2.86Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.35Å; D210-F213 PolarHBondContact O-N 3.15Å; D210-N214 VanDerWaalsContact O-CB 3.25Å; D210-N214 WeakPolarHBondContact O-CB 3.4Å; D210-N214 PolarHBondContact O-N 2.85Å; D210-N214 PolarHBondContact O-ND2 3.35Å
211	I	86.6	Confident	80.7	Confident	138 Å²	138	85.9 Å²	85.9	71%	0.708	45%	0.445	S	S	*	.	H	α-helix	trans	-60.3	-41.1	177.8	-165.8	168.1	0	0	0	112	P209 E215	P209-I211 HydrophobicContact CB-CG2 4.33Å; P209-I211 PolarHBondContact O-N 2.93Å; I211-E215 WeakPolarHBondContact O-CG 3.49Å; I211-E215 PolarHBondContact O-N 2.85Å
212	L	85.7	Confident	82.2	Confident	76 Å²	76	83.3 Å²	83.3	40%	0.398	43%	0.427	S	S	.	.	H	α-helix	trans	-75.8	-44.5	178.2	-179.4	59.8	0	0	0	110.4	L208 P209 D210 N214 E215 L216	L208-L212 HydrophobicContact CD2-CD2 4.17Å; P209-L212 PolarHBondContact O-N 3.44Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.35Å; L212-N214 VanDerWaalsContact C-N 3.27Å; L212-N214 PolarHBondContact O-N 2.75Å; L212-E215 PolarHBondContact O-N 3.43Å; L212-E215 VanDerWaalsContact O-N 3.13Å; L212-L216 HydrophobicContact CD1-CD1 4.15Å; L212-L216 HydrophobicContact CD1-CD2 4.3Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.95Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.19Å; L212-L216 PolarHBondContact O-N 3.18Å
213	F	84.7	Confident	84	Confident	43 Å²	43	75.6 Å²	75.6	19%	0.189	41%	0.407	C	S	.	.	H	α-helix	trans	-55.4	-44	177.8	-176.2	-89.8	0	0	0	111.8	A200 E205 L208 P209 D210 E215 L216	A200-F213 HydrophobicContact CB-CD2 3.73Å; A200-F213 HydrophobicContact CB-CE2 3.71Å; A200-F213 HydrophobicContact CB-CG 4.19Å; A200-F213 HydrophobicContact CB-CZ 4.15Å; E205-F213 HydrophobicContact CB-CE2 3.84Å; E205-F213 HydrophobicContact CB-CZ 3.95Å; E205-F213 HydrophobicContact CG-CE2 4.24Å; E205-F213 HydrophobicContact CG-CZ 3.91Å; L208-F213 HydrophobicContact CB-CB 4.34Å; P209-F213 PolarHBondContact O-N 2.99Å; D210-F213 PolarHBondContact O-N 3.15Å; F213-E215 VanDerWaalsContact C-N 3.31Å; F213-E215 PolarHBondContact O-N 2.72Å; F213-L216 PolarHBondContact O-N 3.21Å
214	N	86.9	Confident	86.1	Confident	88 Å²	88	72.4 Å²	72.4	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-70.4	-22.2	-179.4	-73.4	-34	0	0	0	114.1	D210 L212 K217	D210-N214 VanDerWaalsContact O-CB 3.25Å; D210-N214 WeakPolarHBondContact O-CB 3.4Å; D210-N214 PolarHBondContact O-N 2.85Å; D210-N214 PolarHBondContact O-ND2 3.35Å; L212-N214 VanDerWaalsContact C-N 3.27Å; L212-N214 PolarHBondContact O-N 2.75Å; N214-K217 WeakPolarHBondContact O-CD 3.38Å; N214-K217 WeakPolarHBondContact O-CE 3.15Å; N214-K217 WeakPolarHBondContact O-CG 3.31Å; N214-K217 PolarHBondContact O-NZ 3.46Å
215	E	90.6	Very high	87.9	Confident	86 Å²	86	70.6 Å²	70.6	40%	0.402	38%	0.383	S	S	.	.	H	α-helix	trans	-94.9	-14.2	176.9	-68.1	-51.9	125.7	0	0	113	I211 L212 F213 K217 L220 A244	I211-E215 WeakPolarHBondContact O-CG 3.49Å; I211-E215 PolarHBondContact O-N 2.85Å; L212-E215 PolarHBondContact O-N 3.43Å; L212-E215 VanDerWaalsContact O-N 3.13Å; F213-E215 VanDerWaalsContact C-N 3.31Å; F213-E215 PolarHBondContact O-N 2.72Å; E215-K217 PolarHBondContact O-N 2.92Å; E215-K217 IonicContact OE1-NZ 3.9Å; E215-L220 VanDerWaalsContact O-CD1 3.29Å; E215-L220 WeakPolarHBondContact O-CD1 3.47Å; E215-A244 HydrophobicContact CB-CB 4.02Å; E215-A244 VanDerWaalsContact O-CA 3.27Å; E215-A244 WeakPolarHBondContact O-CA 3.38Å
216	L	89.2	Confident	89.5	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.052	36%	0.356	C	S	.	.			trans	-79.9	50.6	174.3	-66.6	175	0	0	0	112.4	T198 A199 A200 L208 L212 F213 A243 A244	T198-L216 HydrophobicContact CG2-CD1 4.31Å; T198-L216 HydrophobicContact CG2-CD2 4.02Å; A199-L216 WeakPolarHBondContact CA-O 3.35Å; A200-L216 HydrophobicContact CB-CB 3.87Å; A200-L216 VanDerWaalsContact N-CB 3.34Å; A200-L216 PolarHBondContact N-O 3.31Å; L208-L216 HydrophobicContact CD1-CD1 3.65Å; L212-L216 HydrophobicContact CD1-CD1 4.15Å; L212-L216 HydrophobicContact CD1-CD2 4.3Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.95Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.19Å; L212-L216 PolarHBondContact O-N 3.18Å; F213-L216 PolarHBondContact O-N 3.21Å; L216-A243 HydrophobicContact CD2-CB 3.94Å; L216-A244 HydrophobicContact CD2-CB 4.31Å
217	K	91	Very high	90.9	Very high	101 Å²	101	66.2 Å²	66.2	44%	0.439	34%	0.339	S	S	.	.			trans	-83.6	130.3	-178.9	-70.8	169.6	178.6	125.2	0	111.4	N214 E215 K219 L220	N214-K217 WeakPolarHBondContact O-CD 3.38Å; N214-K217 WeakPolarHBondContact O-CE 3.15Å; N214-K217 WeakPolarHBondContact O-CG 3.31Å; N214-K217 PolarHBondContact O-NZ 3.46Å; E215-K217 PolarHBondContact O-N 2.92Å; E215-K217 IonicContact OE1-NZ 3.9Å; K217-K219 PolarHBondContact O-N 3.21Å; K217-K219 VanDerWaalsContact O-N 3.09Å; K217-L220 HydrophobicContact CB-CD1 4.27Å; K217-L220 HydrophobicContact CB-CG 4.22Å; K217-L220 WeakPolarHBondContact O-CB 3.44Å; K217-L220 PolarHBondContact O-N 3.06Å
218	P	91.3	Very high	92	Very high	31 Å²	31	60.3 Å²	60.3	20%	0.201	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-50	-35.3	172.4	-32.8	38.8	0	0	0	115	L24 E27 A199 L220 I221 A222	L24-P218 HydrophobicContact CD2-CB 3.75Å; L24-P218 HydrophobicContact CD2-CG 4.34Å; L24-P218 HydrophobicContact CG-CB 4.21Å; L24-P218 HydrophobicContact CG-CG 4.5Å; E27-P218 HydrophobicContact CB-CB 4.4Å; E27-P218 HydrophobicContact CG-CB 3.71Å; A199-P218 HydrophobicContact CB-CG 4.12Å; P218-L220 PolarHBondContact O-N 3.35Å; P218-I221 PolarHBondContact O-N 2.88Å; P218-A222 PolarHBondContact O-N 3.46Å
219	K	94.7	Very high	93	Very high	145 Å²	145	58 Å²	58	63%	0.63	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.9	-23.8	178.6	-171	171.3	-176.5	174.5	0	113.9	E27 K217 I221 P223	E27-K219 HydrophobicContact CG-CB 4.41Å; K217-K219 PolarHBondContact O-N 3.21Å; K217-K219 VanDerWaalsContact O-N 3.09Å; K219-I221 VanDerWaalsContact C-N 3.33Å; K219-P223 VanDerWaalsContact O-CD 3.23Å; K219-P223 WeakPolarHBondContact O-CD 3.31Å
220	L	95.6	Very high	93.6	Very high	61 Å²	61	54.6 Å²	54.6	32%	0.319	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-81.3	-14.2	177.2	-63.4	176.6	0	0	0	112.9	E215 K217 P218	E215-L220 VanDerWaalsContact O-CD1 3.29Å; E215-L220 WeakPolarHBondContact O-CD1 3.47Å; K217-L220 HydrophobicContact CB-CD1 4.27Å; K217-L220 HydrophobicContact CB-CG 4.22Å; K217-L220 WeakPolarHBondContact O-CB 3.44Å; K217-L220 PolarHBondContact O-N 3.06Å; P218-L220 PolarHBondContact O-N 3.35Å
221	I	97.1	Very high	94.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-33.5	177.3	-64	161.3	0	0	0	111	L24 Y28 I195 P197 A199 P218 K219 P223 V224 V225	L24-I221 HydrophobicContact CD2-CB 4.12Å; L24-I221 HydrophobicContact CD2-CD1 3.74Å; L24-I221 HydrophobicContact CD2-CG2 4.29Å; Y28-I221 HydrophobicContact CE1-CG2 4.26Å; I195-I221 HydrophobicContact CD1-CG2 4.22Å; I195-I221 HydrophobicContact CG1-CG2 4.21Å; P197-I221 HydrophobicContact CB-CD1 3.88Å; P197-I221 HydrophobicContact CB-CG2 4.28Å; A199-I221 HydrophobicContact CB-CD1 4.25Å; P218-I221 PolarHBondContact O-N 2.88Å; K219-I221 VanDerWaalsContact C-N 3.33Å; I221-P223 VanDerWaalsContact C-CD 3.46Å; I221-P223 VanDerWaalsContact C-N 3.33Å; I221-V224 WeakPolarHBondContact O-CB 3.5Å; I221-V224 PolarHBondContact O-N 3.31Å; I221-V225 HydrophobicContact CG2-CG2 4.43Å; I221-V225 PolarHBondContact O-N 3.24Å
222	A	98	Very high	94.7	Very high	3 Å²	3	49 Å²	49	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-50.5	-41.4	-176.3	0	0	0	0	0	115.1	E27 Y28 L31 P218 V224 V225 A226	E27-A222 HydrophobicContact CB-CB 4.03Å; Y28-A222 HydrophobicContact CD1-CB 3.67Å; Y28-A222 HydrophobicContact CE1-CB 4.06Å; L31-A222 HydrophobicContact CB-CB 4.48Å; L31-A222 VanDerWaalsContact CD2-C 3.47Å; L31-A222 HydrophobicContact CD2-CB 3.86Å; P218-A222 PolarHBondContact O-N 3.46Å; A222-V224 VanDerWaalsContact C-N 3.28Å; A222-V224 PolarHBondContact O-N 3.24Å; A222-V225 PolarHBondContact O-N 2.79Å; A222-A226 WeakPolarHBondContact O-CB 3.28Å; A222-A226 PolarHBondContact O-N 2.75Å
223	P	98.1	Very high	95.3	Very high	70 Å²	70	45.4 Å²	45.4	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-33.2	175.9	-26.4	36.6	0	0	0	114.5	L31 K219 I221 Y227	L31-P223 HydrophobicContact CD2-CB 4.46Å; L31-P223 HydrophobicContact CD2-CG 4.19Å; K219-P223 VanDerWaalsContact O-CD 3.23Å; K219-P223 WeakPolarHBondContact O-CD 3.31Å; I221-P223 VanDerWaalsContact C-CD 3.46Å; I221-P223 VanDerWaalsContact C-N 3.33Å; P223-Y227 WeakPolarHBondContact O-CB 3.24Å; P223-Y227 PolarHBondContact O-N 3.42Å
224	V	98.5	Very high	95.9	Very high	35 Å²	35	51.8 Å²	51.8	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-48.8	177.6	-179.4	0	0	0	0	110.1	I195 I221 A222 A226 Y227 L228 I240 A247	I195-V224 HydrophobicContact CD1-CG1 4.04Å; I221-V224 WeakPolarHBondContact O-CB 3.5Å; I221-V224 PolarHBondContact O-N 3.31Å; A222-V224 VanDerWaalsContact C-N 3.28Å; A222-V224 PolarHBondContact O-N 3.24Å; V224-A226 VanDerWaalsContact C-N 3.33Å; V224-A226 PolarHBondContact O-N 3.19Å; V224-Y227 PolarHBondContact O-N 3.39Å; V224-L228 HydrophobicContact CG1-CD1 4.38Å; V224-L228 WeakPolarHBondContact O-CG 3.37Å; V224-L228 PolarHBondContact O-N 2.92Å; V224-I240 HydrophobicContact CG1-CG2 3.73Å; V224-A247 HydrophobicContact CG2-CB 4.17Å
225	V	98.7	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-42.6	176.9	172	0	0	0	0	111.3	Y28 V100 I150 I195 I221 A222 L228 C229	Y28-V225 HydrophobicContact CD1-CB 4.11Å; Y28-V225 HydrophobicContact CD1-CG1 4.22Å; Y28-V225 HydrophobicContact CD1-CG2 4.34Å; Y28-V225 HydrophobicContact CD2-CG1 4.32Å; Y28-V225 HydrophobicContact CE1-CB 3.96Å; Y28-V225 HydrophobicContact CE1-CG1 4.37Å; Y28-V225 HydrophobicContact CE1-CG2 3.7Å; Y28-V225 HydrophobicContact CE2-CG1 4.44Å; Y28-V225 HydrophobicContact CE2-CG2 4.28Å; Y28-V225 HydrophobicContact CG-CG1 4.2Å; V100-V225 HydrophobicContact CG1-CG1 4.26Å; V100-V225 HydrophobicContact CG2-CG1 4.1Å; I150-V225 HydrophobicContact CG1-CG1 4.21Å; I150-V225 HydrophobicContact CG2-CG1 4.45Å; I195-V225 HydrophobicContact CB-CG2 4.08Å; I195-V225 HydrophobicContact CD1-CG2 3.98Å; I195-V225 HydrophobicContact CG1-CG2 3.76Å; I195-V225 HydrophobicContact CG2-CG2 4.22Å; I221-V225 HydrophobicContact CG2-CG2 4.43Å; I221-V225 PolarHBondContact O-N 3.24Å; A222-V225 PolarHBondContact O-N 2.79Å; V225-L228 PolarHBondContact O-N 3.46Å; V225-C229 PolarHBondContact O-N 3.22Å; V225-C229 PolarHBondContact O-SG 3.43Å
226	A	98.6	Very high	96.8	Very high	7 Å²	7	48.9 Å²	48.9	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-48.9	175.7	0	0	0	0	0	110.7	Y10 L31 F32 A222 V224 L228 C229 H230	Y10-A226 PolarHBondContact OH-O 2.55Å; L31-A226 HydrophobicContact CD2-CB 3.74Å; L31-A226 HydrophobicContact CG-CB 4.32Å; F32-A226 HydrophobicContact CE1-CB 4.03Å; F32-A226 HydrophobicContact CZ-CB 4.35Å; A222-A226 WeakPolarHBondContact O-CB 3.28Å; A222-A226 PolarHBondContact O-N 2.75Å; V224-A226 VanDerWaalsContact C-N 3.33Å; V224-A226 PolarHBondContact O-N 3.19Å; A226-L228 PolarHBondContact O-N 3.21Å; A226-C229 CarbonylContact O-C 3.52Å; A226-C229 WeakPolarHBondContact O-CA 3.07Å; A226-C229 WeakPolarHBondContact O-CB 3.21Å; A226-C229 PolarHBondContact O-N 3.16Å; A226-H230 PolarHBondContact O-N 3.45Å; A226-H230 VanDerWaalsContact O-N 3.11Å
227	Y	98.6	Very high	97.2	Very high	109 Å²	109	49.5 Å²	49.5	43%	0.427	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-44	179.4	-176.8	-117.4	0	0	0	112.6	L8 P223 V224 C229 H230 C233	L8-Y227 HydrophobicContact CD1-CD2 3.6Å; L8-Y227 HydrophobicContact CD1-CE2 3.97Å; P223-Y227 WeakPolarHBondContact O-CB 3.24Å; P223-Y227 PolarHBondContact O-N 3.42Å; V224-Y227 PolarHBondContact O-N 3.39Å; Y227-C229 PolarHBondContact O-N 2.89Å; Y227-H230 HydrophobicContact CD2-CB 4.48Å; Y227-H230 WeakPolarHBondContact O-CB 3.08Å; Y227-H230 PolarHBondContact O-N 3.44Å; Y227-C233 HydrophobicContact CE1-CB 4.32Å; Y227-C233 HydrophobicContact CE2-CB 4.44Å; Y227-C233 WeakPolarHBondContact O-CB 3.35Å
228	L	98.7	Very high	97.5	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-20.8	172.9	-70.5	172.5	0	0	0	113.3	I150 N193 V224 V225 A226 D235 I240	I150-L228 HydrophobicContact CD1-CB 3.69Å; I150-L228 HydrophobicContact CD1-CD1 4.09Å; N193-L228 HydrophobicContact CB-CD1 4.37Å; N193-L228 HydrophobicContact CB-CD2 4.33Å; V224-L228 HydrophobicContact CG1-CD1 4.38Å; V224-L228 WeakPolarHBondContact O-CG 3.37Å; V224-L228 PolarHBondContact O-N 2.92Å; V225-L228 PolarHBondContact O-N 3.46Å; A226-L228 PolarHBondContact O-N 3.21Å; L228-D235 HydrophobicContact CD2-CB 4.21Å; L228-I240 HydrophobicContact CD1-CB 4.38Å; L228-I240 HydrophobicContact CD1-CG1 4.04Å; L228-I240 HydrophobicContact CD2-CG1 4.17Å
229	C	98.8	Very high	97.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	0.2	176.2	-60.9	0	0	0	0	114.4	Y10 F32 I98 Y146 R148 I150 V225 A226 Y227	Y10-C229 HydrophobicContact CE1-CB 4.43Å; F32-C229 HydrophobicContact CE1-CB 3.85Å; F32-C229 HydrophobicContact CZ-CB 3.76Å; I98-C229 HydrophobicContact CD1-CB 3.94Å; I98-C229 HydrophobicContact CG1-CB 4.04Å; I98-C229 HydrophobicContact CG2-CB 3.87Å; Y146-C229 PolarHBondContact OH-O 3.11Å; R148-C229 HydrophobicContact CB-CB 3.95Å; R148-C229 HydrophobicContact CG-CB 4.44Å; R148-C229 WeakPolarHBondContact CG-O 3.45Å; I150-C229 WeakPolarHBondContact CG1-SG 3.32Å; V225-C229 PolarHBondContact O-N 3.22Å; V225-C229 PolarHBondContact O-SG 3.43Å; A226-C229 CarbonylContact O-C 3.52Å; A226-C229 WeakPolarHBondContact O-CA 3.07Å; A226-C229 WeakPolarHBondContact O-CB 3.21Å; A226-C229 PolarHBondContact O-N 3.16Å; Y227-C229 PolarHBondContact O-N 2.89Å
230	H	98.5	Very high	98	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.056	20%	0.204	C	C	.	.	S	Bend	trans	-80.9	151.6	178.9	-167.8	-100.9	0	0	0	110.8	R9 Y10 R148 A226 Y227 S232 C233	R9-H230 PolarHBondContact O-CD2 3.32Å; R9-H230 PolarHBondContact O-NE2 3.35Å; Y10-H230 HydrophobicContact CE1-CB 4.03Å; Y10-H230 AromaticContact CE1-CD2 3.99Å; Y10-H230 AromaticContact CZ-CD2 3.97Å; R148-H230 PolarHBondContact NE-O 2.82Å; A226-H230 PolarHBondContact O-N 3.45Å; A226-H230 VanDerWaalsContact O-N 3.11Å; Y227-H230 HydrophobicContact CD2-CB 4.48Å; Y227-H230 WeakPolarHBondContact O-CB 3.08Å; Y227-H230 PolarHBondContact O-N 3.44Å; H230-S232 WeakPolarHBondContact ND1-CB 3.49Å; H230-S232 PolarHBondContact ND1-N 3.05Å; H230-S232 VanDerWaalsContact ND1-N 3.19Å; H230-S232 PolarHBondContact ND1-OG 3.46Å; H230-S232 PolarHBondContact O-N 2.88Å; H230-C233 PolarHBondContact O-N 3.06Å; H230-C233 VanDerWaalsContact O-N 3.14Å
231	E	97.2	Very high	98.1	Very high	83 Å²	83	36.9 Å²	36.9	39%	0.388	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.2	-178.2	64.3	-175.6	-176.6	0	0	113.3	M1 R13 Y146	M1-E231 PolarHBondContact N-OE1 3.39Å; R13-E231 IonicContact NH2-OE2 2.88Å; R13-E231 PolarHBondContact NH2-OE2 2.85Å; Y146-E231 HydrophobicContact CE2-CB 3.81Å; Y146-E231 PolarHBondContact OH-N 3.49Å
232	S	97.4	Very high	98.1	Very high	61 Å²	61	37 Å²	37	43%	0.427	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-8	176.8	74.4	0	0	0	0	114.3	H230	H230-S232 WeakPolarHBondContact ND1-CB 3.49Å; H230-S232 PolarHBondContact ND1-N 3.05Å; H230-S232 VanDerWaalsContact ND1-N 3.19Å; H230-S232 PolarHBondContact ND1-OG 3.46Å; H230-S232 PolarHBondContact O-N 2.88Å
233	C	98.2	Very high	98	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	20%	0.2	C	C	.	.			trans	-87.3	120.9	174.9	-177.3	0	0	0	0	108.8	Y227 H230	Y227-C233 HydrophobicContact CE1-CB 4.32Å; Y227-C233 HydrophobicContact CE2-CB 4.44Å; Y227-C233 WeakPolarHBondContact O-CB 3.35Å; H230-C233 PolarHBondContact O-N 3.06Å; H230-C233 VanDerWaalsContact O-N 3.14Å
234	E	97.4	Very high	97.7	Very high	177 Å²	177	36.1 Å²	36.1	83%	0.827	20%	0.195	S	C	*	.			trans	-98.6	-3.5	-178.2	-60.5	-174.7	160.8	0	0	112.8	N236	E234-N236 PolarHBondContact O-N 3.2Å
235	D	98.2	Very high	97.5	Very high	60 Å²	60	37.2 Å²	37.2	32%	0.321	21%	0.213	S	C	.	.			trans	-57.7	132.8	176.6	-85.3	-74.3	0	0	0	111.1	N193 L228 S238 K249	N193-D235 PolarHBondContact ND2-O 3.27Å; N193-D235 PolarHBondContact OD1-O 3.37Å; L228-D235 HydrophobicContact CD2-CB 4.21Å; D235-S238 PolarHBondContact OD1-OG 2.94Å; D235-K249 IonicContact OD1-NZ 3.75Å
236	N	98.3	Very high	97.4	Very high	52 Å²	52	43.6 Å²	43.6	28%	0.278	24%	0.237	S	C	.	.			trans	-145.3	133.2	175.8	-170.1	32.7	0	0	0	109.4	A182 L191 C192 N193 E234 S238	A182-N236 WeakPolarHBondContact CA-OD1 3.2Å; A182-N236 VanDerWaalsContact CB-OD1 3.26Å; A182-N236 WeakPolarHBondContact CB-OD1 3.31Å; A182-N236 PolarHBondContact O-ND2 2.85Å; L191-N236 VanDerWaalsContact CA-OD1 3.28Å; L191-N236 WeakPolarHBondContact CA-OD1 3.32Å; L191-N236 HydrophobicContact CB-CB 4.3Å; L191-N236 HydrophobicContact CD2-CB 3.98Å; C192-N236 PolarHBondContact N-OD1 3.32Å; N193-N236 VanDerWaalsContact OD1-CA 3.27Å; N193-N236 WeakPolarHBondContact OD1-CA 3.36Å; N193-N236 PolarHBondContact OD1-N 3.48Å; E234-N236 PolarHBondContact O-N 3.2Å; N236-S238 PolarHBondContact O-N 3.39Å
237	G	97.4	Very high	97.3	Very high	24 Å²	24	45.5 Å²	45.5	25%	0.247	25%	0.253	C	S	.	.	S	Bend	trans	68.8	13.4	-172.8	0	0	0	0	0	114	C192 N193 Y239	C192-G237 WeakPolarHBondContact O-CA 3.45Å; C192-G237 PolarHBondContact O-N 3.16Å; N193-G237 PolarHBondContact OD1-N 3.03Å; G237-Y239 VanDerWaalsContact O-CE1 3.27Å; G237-Y239 WeakPolarHBondContact O-CE1 3.24Å
238	S	97.9	Very high	97.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	25%	0.248	C	C	.	.			trans	-81.9	140.1	178.8	-73.9	0	0	0	0	110.8	N193 V194 D235 N236 K249	N193-S238 WeakPolarHBondContact CA-O 3.48Å; N193-S238 WeakPolarHBondContact OD1-CB 3.5Å; N193-S238 PolarHBondContact OD1-N 3.23Å; V194-S238 PolarHBondContact N-O 3.49Å; D235-S238 PolarHBondContact OD1-OG 2.94Å; N236-S238 PolarHBondContact O-N 3.39Å; S238-K249 VanDerWaalsContact OG-CE 3.32Å; S238-K249 WeakPolarHBondContact OG-CE 3.31Å; S238-K249 PolarHBondContact OG-NZ 3.13Å
239	Y	97.5	Very high	97.3	Very high	26 Å²	26	47.6 Å²	47.6	10%	0.102	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.2	170.3	-31.4	-36	0	0	0	108.2	I175 N179 V194 G237 K249 L250	I175-Y239 HydrophobicContact CG2-CD1 4.31Å; I175-Y239 HydrophobicContact CG2-CD2 4.28Å; I175-Y239 HydrophobicContact CG2-CE1 3.78Å; I175-Y239 HydrophobicContact CG2-CE2 3.73Å; I175-Y239 VanDerWaalsContact CG2-CZ 3.46Å; N179-Y239 VanDerWaalsContact CG-OH 3.26Å; N179-Y239 PolarHBondContact ND2-OH 2.96Å; N179-Y239 WeakPolarHBondContact OD1-CE1 3.46Å; N179-Y239 PolarHBondContact OD1-OH 3.27Å; V194-Y239 HydrophobicContact CB-CD1 3.95Å; V194-Y239 HydrophobicContact CB-CG 4.39Å; V194-Y239 HydrophobicContact CG2-CD1 3.7Å; V194-Y239 HydrophobicContact CG2-CE1 4.31Å; V194-Y239 WeakPolarHBondContact O-CA 3.43Å; G237-Y239 VanDerWaalsContact O-CE1 3.27Å; G237-Y239 WeakPolarHBondContact O-CE1 3.24Å; Y239-K249 CarbonylContact O-C 3.5Å; Y239-K249 WeakPolarHBondContact O-CA 3.49Å; Y239-L250 HydrophobicContact CD2-CB 4.46Å; Y239-L250 PolarHBondContact O-N 3.3Å
240	I	98.6	Very high	97.2	Very high	18 Å²	18	49 Å²	49	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.9	-176.2	-54.1	-56.6	0	0	0	108.7	V194 I195 V196 V224 L228 A247 T248 K249	V194-I240 PolarHBondContact O-N 2.88Å; I195-I240 CarbonylContact C-O 3.59Å; I195-I240 WeakPolarHBondContact CA-O 3.43Å; I195-I240 HydrophobicContact CD1-CB 4.43Å; I195-I240 HydrophobicContact CD1-CG2 4.48Å; V196-I240 PolarHBondContact N-O 3.19Å; V224-I240 HydrophobicContact CG1-CG2 3.73Å; L228-I240 HydrophobicContact CD1-CB 4.38Å; L228-I240 HydrophobicContact CD1-CG1 4.04Å; L228-I240 HydrophobicContact CD2-CG1 4.17Å; I240-A247 HydrophobicContact CG2-CB 4.07Å; I240-T248 CarbonylContact C-O 3.52Å; I240-T248 WeakPolarHBondContact CA-O 3.33Å; I240-K249 HydrophobicContact CD1-CB 3.99Å; I240-K249 HydrophobicContact CD1-CG 4.21Å
241	E	98.1	Very high	96.9	Very high	28 Å²	28	53.3 Å²	53.3	13%	0.131	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140	165.2	-170.7	-177.6	-179.3	0	0	109.5	N155 V196 W246 A247 T248 L250	N155-E241 PolarHBondContact ND2-OE1 2.99Å; N155-E241 PolarHBondContact OD1-OE1 3.12Å; V196-E241 HydrophobicContact CB-CB 4.3Å; V196-E241 HydrophobicContact CB-CG 4.46Å; V196-E241 WeakPolarHBondContact O-CA 3.28Å; E241-W246 HydrophobicContact CB-CZ3 4.28Å; E241-W246 HydrophobicContact CG-CZ3 3.93Å; E241-A247 CarbonylContact O-C 3.6Å; E241-A247 WeakPolarHBondContact O-CA 3.47Å; E241-A247 WeakPolarHBondContact O-CB 2.84Å; E241-T248 HydrophobicContact CB-CG2 4.09Å; E241-T248 PolarHBondContact N-O 2.85Å; E241-T248 PolarHBondContact O-N 3.29Å; E241-L250 HydrophobicContact CB-CD1 4.15Å; E241-L250 HydrophobicContact CB-CG 4.29Å
242	S	97.7	Very high	96.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	135.2	174.3	-172.8	0	0	0	0	113.1	V196 P197 T198 W246	V196-S242 PolarHBondContact O-N 3.48Å; V196-S242 VanDerWaalsContact O-N 3.08Å; P197-S242 WeakPolarHBondContact CA-O 3.28Å; T198-S242 PolarHBondContact N-O 3.02Å; S242-W246 VanDerWaalsContact CA-O 3.24Å; S242-W246 WeakPolarHBondContact CA-O 3.4Å; S242-W246 PolarHBondContact OG-O 3.39Å
243	A	94.4	Very high	96.6	Very high	15 Å²	15	55 Å²	55	12%	0.124	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	145.3	-179.9	0	0	0	0	0	109.4	L216 G245 W246	L216-A243 HydrophobicContact CD2-CB 3.94Å; A243-G245 PolarHBondContact O-N 3.48Å; A243-W246 PolarHBondContact N-O 3.07Å; A243-W246 WeakPolarHBondContact O-CA 3.27Å; A243-W246 WeakPolarHBondContact O-CB 3.2Å; A243-W246 PolarHBondContact O-N 3.42Å
244	A	92.7	Very high	96.3	Very high	41 Å²	41	60 Å²	60	34%	0.339	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	36.5	170.2	0	0	0	0	0	116	E215 L216 W246	E215-A244 HydrophobicContact CB-CB 4.02Å; E215-A244 VanDerWaalsContact O-CA 3.27Å; E215-A244 WeakPolarHBondContact O-CA 3.38Å; L216-A244 HydrophobicContact CD2-CB 4.31Å; A244-W246 PolarHBondContact O-N 2.99Å
245	G	93.6	Very high	96	Very high	58 Å²	58	52.4 Å²	52.4	60%	0.598	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	3.5	-178.8	0	0	0	0	0	114.9	A243	A243-G245 PolarHBondContact O-N 3.48Å
246	W	96.8	Very high	95.4	Very high	134 Å²	134	55.6 Å²	55.6	51%	0.508	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.3	172.1	173.7	87.3	0	0	0	110.7	E241 S242 A243 A244 T248	E241-W246 HydrophobicContact CB-CZ3 4.28Å; E241-W246 HydrophobicContact CG-CZ3 3.93Å; S242-W246 VanDerWaalsContact CA-O 3.24Å; S242-W246 WeakPolarHBondContact CA-O 3.4Å; S242-W246 PolarHBondContact OG-O 3.39Å; A243-W246 PolarHBondContact N-O 3.07Å; A243-W246 WeakPolarHBondContact O-CA 3.27Å; A243-W246 WeakPolarHBondContact O-CB 3.2Å; A243-W246 PolarHBondContact O-N 3.42Å; A244-W246 PolarHBondContact O-N 2.99Å; W246-T248 HydrophobicContact CH2-CG2 3.17Å; W246-T248 VanDerWaalsContact CZ2-CB 3.46Å; W246-T248 HydrophobicContact CZ2-CG2 3.46Å; W246-T248 VanDerWaalsContact CZ2-CG2 3.46Å; W246-T248 HydrophobicContact CZ3-CG2 4Å
247	A	98.1	Very high	94.8	Very high	46 Å²	46	54.5 Å²	54.5	38%	0.38	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.8	170.7	0	0	0	0	0	111.4	V224 I240 E241	V224-A247 HydrophobicContact CG2-CB 4.17Å; I240-A247 HydrophobicContact CG2-CB 4.07Å; E241-A247 CarbonylContact O-C 3.6Å; E241-A247 WeakPolarHBondContact O-CA 3.47Å; E241-A247 WeakPolarHBondContact O-CB 2.84Å
248	T	98.2	Very high	94.3	Very high	54 Å²	54	55.2 Å²	55.2	33%	0.331	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.7	173.1	-166.3	0	0	0	0	111.3	I240 E241 W246 L250	I240-T248 CarbonylContact C-O 3.52Å; I240-T248 WeakPolarHBondContact CA-O 3.33Å; E241-T248 HydrophobicContact CB-CG2 4.09Å; E241-T248 PolarHBondContact N-O 2.85Å; E241-T248 PolarHBondContact O-N 3.29Å; W246-T248 HydrophobicContact CH2-CG2 3.17Å; W246-T248 VanDerWaalsContact CZ2-CB 3.46Å; W246-T248 HydrophobicContact CZ2-CG2 3.46Å; W246-T248 VanDerWaalsContact CZ2-CG2 3.46Å; W246-T248 HydrophobicContact CZ3-CG2 4Å; T248-L250 HydrophobicContact CG2-CD2 4.23Å
249	K	97.5	Very high	93.8	Very high	107 Å²	107	57.7 Å²	57.7	47%	0.465	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.8	171.3	-176.3	167.9	178.5	163.2	0	109.9	D235 S238 Y239 I240	D235-K249 IonicContact OD1-NZ 3.75Å; S238-K249 VanDerWaalsContact OG-CE 3.32Å; S238-K249 WeakPolarHBondContact OG-CE 3.31Å; S238-K249 PolarHBondContact OG-NZ 3.13Å; Y239-K249 CarbonylContact O-C 3.5Å; Y239-K249 WeakPolarHBondContact O-CA 3.49Å; I240-K249 HydrophobicContact CD1-CB 3.99Å; I240-K249 HydrophobicContact CD1-CG 4.21Å
250	L	96.6	Very high	93.4	Very high	29 Å²	29	59 Å²	59	15%	0.152	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146.6	168.4	-55.6	176.5	0	0	0	109.4	I158 V196 Y239 E241 T248	I158-L250 HydrophobicContact CD1-CD1 3.47Å; I158-L250 VanDerWaalsContact CD1-CD1 3.47Å; V196-L250 HydrophobicContact CG2-CD1 4.28Å; Y239-L250 HydrophobicContact CD2-CB 4.46Å; Y239-L250 PolarHBondContact O-N 3.3Å; E241-L250 HydrophobicContact CB-CD1 4.15Å; E241-L250 HydrophobicContact CB-CG 4.29Å; T248-L250 HydrophobicContact CG2-CD2 4.23Å
251	H	93.4	Very high	92.6	Very high	103 Å²	103	61.2 Å²	61.2	48%	0.477	34%	0.337	S	S	.	.			trans	-147.7	161	174	58.5	-167.2	0	0	0	111.4	H288	H251-H288 AromaticContact CG-ND1 3.95Å; H251-H288 AromaticContact ND1-CG 3.63Å
252	M	93.1	Very high	91.5	Very high	109 Å²	109	62.3 Å²	62.3	54%	0.537	35%	0.347	S	S	.	.			trans	-86.1	135.5	170.8	-65.8	178.7	179.7	0	0	109.4	M172 I175 H288	M172-M252 HydrophobicContact CE-CE 4.49Å; I175-M252 HydrophobicContact CG2-CE 4.36Å; M252-H288 PolarHBondContact O-ND1 3.41Å
253	V	94.9	Very high	90.7	Very high	71 Å²	71	63.7 Å²	63.7	43%	0.43	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.3	176	-65.2	0	0	0	0	110.5	M283 A286 K287 H288	V253-M283 HydrophobicContact CG2-CE 3.69Å; V253-A286 HydrophobicContact CB-CB 4.23Å; V253-A286 HydrophobicContact CG2-CB 4.25Å; V253-K287 CarbonylContact C-O 3.56Å; V253-K287 WeakPolarHBondContact CA-O 3.5Å; V253-H288 HydrophobicContact CG1-CB 4.37Å
254	R	91.7	Very high	90.1	Very high	106 Å²	106	65.5 Å²	65.5	40%	0.4	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130	178.4	-172.3	-176.8	178.4	177.7	-2	109.1	A286 K287 L289 A295	R254-A286 CarbonylContact O-C 3.5Å; R254-A286 VanDerWaalsContact O-CA 3.25Å; R254-A286 WeakPolarHBondContact O-CA 3.44Å; R254-K287 PolarHBondContact N-O 2.94Å; R254-K287 PolarHBondContact O-N 3.29Å; R254-L289 HydrophobicContact CB-CD1 4.32Å; R254-A295 PolarHBondContact NH1-O 3.1Å
255	G	90.4	Very high	89.8	Confident	17 Å²	17	71.1 Å²	71.1	18%	0.175	39%	0.388	C	S	.	.			trans	-68.5	167.5	171.3	0	0	0	0	0	112.4	G257	G255-G257 PolarHBondContact O-N 3Å
256	K	85.6	Confident	89.4	Confident	128 Å²	128	71.2 Å²	71.2	56%	0.557	38%	0.375	S	S	*	.			trans	-59.8	-36.5	175	-176.8	179.3	177.7	179.8	0	111.3
257	G	87.6	Confident	89.2	Confident	29 Å²	29	69.3 Å²	69.3	30%	0.299	38%	0.379	S	S	.	.			trans	70.9	-170.4	-174.9	0	0	0	0	0	112.7	G255	G255-G257 PolarHBondContact O-N 3Å
258	A	86.2	Confident	88.9	Confident	38 Å²	38	71 Å²	71	31%	0.314	39%	0.385	S	S	.	.			trans	-147.9	153.8	179.3	0	0	0	0	0	111.5	V276 N279 V280	A258-V276 HydrophobicContact CB-CB 4.5Å; A258-V276 HydrophobicContact CB-CG2 4.43Å; A258-N279 HydrophobicContact CB-CB 3.75Å; A258-V280 HydrophobicContact CB-CG2 3.99Å
259	V	88	Confident	88.6	Confident	53 Å²	53	71.1 Å²	71.1	32%	0.321	39%	0.386	S	S	.	.			trans	-72.5	137.2	165.3	-172	0	0	0	0	108.7	R261 V302 L306	V259-R261 HydrophobicContact CG1-CG 4.2Å; V259-R261 WeakPolarHBondContact CG1-O 3.33Å; V259-V302 HydrophobicContact CG2-CG1 3.95Å; V259-L306 HydrophobicContact CG1-CD1 3.78Å; V259-L306 HydrophobicContact CG1-CD2 3.77Å; V259-L306 HydrophobicContact CG1-CG 4.34Å
260	L	88.2	Confident	88.6	Confident	55 Å²	55	72.7 Å²	72.7	29%	0.288	40%	0.397	S	S	.	.	S	Bend	trans	-101.4	17.5	-175.1	-54.3	179.8	0	0	0	113.5	V268 Y272 V273 V276 V280	L260-V268 HydrophobicContact CB-CG1 3.84Å; L260-V268 HydrophobicContact CB-CG2 4.29Å; L260-Y272 WeakPolarHBondContact O-CD1 3.4Å; L260-V273 HydrophobicContact CB-CG2 4.2Å; L260-V273 HydrophobicContact CD1-CG2 4.17Å; L260-V273 HydrophobicContact CD2-CG2 4.36Å; L260-V273 HydrophobicContact CG-CG2 4.47Å; L260-V276 HydrophobicContact CD2-CG2 3.57Å; L260-V280 HydrophobicContact CD2-CG2 3.64Å
261	R	82.3	Confident	88.4	Confident	63 Å²	63	77.4 Å²	77.4	24%	0.238	42%	0.419	C	S	.	.	S	Bend	trans	-161.2	155.3	179.7	55.6	-179.6	-179.3	164.7	4.7	111.2	V259 S263 L264 D266 V268 Y272 L306	V259-R261 HydrophobicContact CG1-CG 4.2Å; V259-R261 WeakPolarHBondContact CG1-O 3.33Å; R261-S263 WeakPolarHBondContact CD-O 3.44Å; R261-S263 WeakPolarHBondContact CG-O 3.31Å; R261-S263 PolarHBondContact NE-O 2.85Å; R261-L264 VanDerWaalsContact CZ-O 3.29Å; R261-L264 PolarHBondContact NH1-O 3.16Å; R261-L264 PolarHBondContact NH2-O 3.19Å; R261-D266 HydrophobicContact CB-CB 4.35Å; R261-D266 WeakPolarHBondContact CD-O 3.2Å; R261-D266 PolarHBondContact NH1-O 2.98Å; R261-V268 HydrophobicContact CB-CG2 4.28Å; R261-V268 HydrophobicContact CG-CG2 4.28Å; R261-Y272 VanDerWaalsContact N-CE1 3.28Å; R261-L306 HydrophobicContact CG-CD2 4.05Å
262	P	75.5	Confident	88.1	Confident	52 Å²	52	75.9 Å²	75.9	34%	0.338	41%	0.409	S	S	.	.	S	Bend	trans	-68.5	-40.9	-179.5	-15.7	27.4	0	0	0	114.2	D266 Y272	P262-D266 WeakPolarHBondContact CB-OD2 3.13Å; P262-D266 HydrophobicContact CG-CB 4.44Å; P262-Y272 HydrophobicContact CG-CD2 4.39Å; P262-Y272 HydrophobicContact CG-CE2 3.81Å
263	S	79.3	Confident	88	Confident	30 Å²	30	72.3 Å²	72.3	21%	0.21	39%	0.394	C	S	.	.	S	Bend	trans	-138.7	175.2	-179	76.2	0	0	0	0	111.8	R261 D265 D266	R261-S263 WeakPolarHBondContact CD-O 3.44Å; R261-S263 WeakPolarHBondContact CG-O 3.31Å; R261-S263 PolarHBondContact NE-O 2.85Å; S263-D265 PolarHBondContact O-N 3.45Å; S263-D265 PolarHBondContact OG-N 3.13Å; S263-D266 VanDerWaalsContact CB-OD2 3.31Å; S263-D266 WeakPolarHBondContact CB-OD2 3.12Å; S263-D266 PolarHBondContact N-OD2 3.16Å; S263-D266 VanDerWaalsContact OG-CG 3.32Å; S263-D266 PolarHBondContact OG-N 2.87Å; S263-D266 PolarHBondContact OG-OD2 3.26Å
264	L	83.5	Confident	87.9	Confident	53 Å²	53	76.3 Å²	76.3	28%	0.277	41%	0.405	S	S	.	.	S	Bend	trans	-66.2	-25.7	172.6	-79.1	-171.3	0	0	0	114	R261 L303 L306 K307	R261-L264 VanDerWaalsContact CZ-O 3.29Å; R261-L264 PolarHBondContact NH1-O 3.16Å; R261-L264 PolarHBondContact NH2-O 3.19Å; L264-L303 HydrophobicContact CD2-CD2 4.2Å; L264-L306 HydrophobicContact CD2-CB 4.22Å; L264-L306 HydrophobicContact CD2-CD2 3.62Å; L264-L306 HydrophobicContact CD2-CG 3.85Å; L264-L306 HydrophobicContact CG-CB 4.42Å; L264-L306 HydrophobicContact CG-CD2 4.3Å; L264-L306 HydrophobicContact CG-CG 4.01Å; L264-K307 HydrophobicContact CD1-CB 4.28Å; L264-K307 HydrophobicContact CD1-CD 4.27Å; L264-K307 HydrophobicContact CD1-CG 3.24Å; L264-K307 HydrophobicContact CG-CG 4.21Å
265	D	86.5	Confident	87.6	Confident	158 Å²	158	76.4 Å²	76.4	85%	0.845	41%	0.414	S	S	*	.	S	Bend	trans	-87.4	-19.4	-176.2	-62	-40.2	0	0	0	111.9	S263	S263-D265 PolarHBondContact O-N 3.45Å; S263-D265 PolarHBondContact OG-N 3.13Å
266	D	84.7	Confident	87.3	Confident	61 Å²	61	76 Å²	76	33%	0.326	41%	0.408	S	S	.	.	S	Bend	trans	-75.1	143.7	175.6	-65.9	-61.8	0	0	0	111.9	R261 P262 S263	R261-D266 HydrophobicContact CB-CB 4.35Å; R261-D266 WeakPolarHBondContact CD-O 3.2Å; R261-D266 PolarHBondContact NH1-O 2.98Å; P262-D266 WeakPolarHBondContact CB-OD2 3.13Å; P262-D266 HydrophobicContact CG-CB 4.44Å; S263-D266 VanDerWaalsContact CB-OD2 3.31Å; S263-D266 WeakPolarHBondContact CB-OD2 3.12Å; S263-D266 PolarHBondContact N-OD2 3.16Å; S263-D266 VanDerWaalsContact OG-CG 3.32Å; S263-D266 PolarHBondContact OG-N 2.87Å; S263-D266 PolarHBondContact OG-OD2 3.26Å
267	P	91.6	Very high	87.6	Confident	93 Å²	93	76.3 Å²	76.3	60%	0.604	41%	0.406	S	S	*	.			trans	-71.4	156.2	169.5	31.6	-34.6	0	0	0	111.1	T269	P267-T269 HydrophobicContact CG-CG2 4.33Å; P267-T269 PolarHBondContact O-N 2.87Å
268	V	92	Very high	87.7	Confident	82 Å²	82	78.8 Å²	78.8	50%	0.497	42%	0.418	S	S	.	.			trans	-81.7	113.7	165.6	178.6	0	0	0	0	108	L260 R261 V273	L260-V268 HydrophobicContact CB-CG1 3.84Å; L260-V268 HydrophobicContact CB-CG2 4.29Å; R261-V268 HydrophobicContact CB-CG2 4.28Å; R261-V268 HydrophobicContact CG-CG2 4.28Å; V268-V273 HydrophobicContact CG1-CG2 3.65Å
269	T	92.8	Very high	87.7	Confident	57 Å²	57	80.3 Å²	80.3	35%	0.35	42%	0.421	S	S	.	.			trans	-99.8	154.3	175.9	69.1	0	0	0	0	111.3	P267 E271 Y272 V273	P267-T269 HydrophobicContact CG-CG2 4.33Å; P267-T269 PolarHBondContact O-N 2.87Å; T269-E271 PolarHBondContact O-N 3.18Å; T269-Y272 PolarHBondContact O-N 2.92Å; T269-Y272 WeakPolarHBondContact OG1-CB 3.36Å; T269-Y272 PolarHBondContact OG1-N 3.47Å; T269-Y272 VanDerWaalsContact OG1-N 3.12Å; T269-V273 WeakPolarHBondContact O-CG2 3.3Å; T269-V273 PolarHBondContact O-N 3.29Å
270	I	96.7	Very high	87.8	Confident	139 Å²	139	79.9 Å²	79.9	71%	0.713	42%	0.419	S	S	*	.	H	α-helix	trans	-63.5	-36.6	177.1	-63.9	175.2	0	0	0	110.1	V273 K274	I270-V273 PolarHBondContact O-N 3.05Å; I270-K274 WeakPolarHBondContact O-CB 3.42Å; I270-K274 PolarHBondContact O-N 3.35Å
271	E	93.2	Very high	88.1	Confident	128 Å²	128	80.9 Å²	80.9	60%	0.598	43%	0.427	S	S	*	.	H	α-helix	trans	-60.6	-48.1	176.8	-66.5	67.9	-148.6	0	0	110.8	T269 V273 K274 D275	T269-E271 PolarHBondContact O-N 3.18Å; E271-V273 PolarHBondContact O-N 3.21Å; E271-K274 WeakPolarHBondContact O-CB 3.29Å; E271-K274 PolarHBondContact O-N 3.03Å; E271-D275 PolarHBondContact O-N 2.89Å
272	Y	86	Confident	88.4	Confident	71 Å²	71	80.9 Å²	80.9	28%	0.278	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-43.4	178	-164.3	-76.4	0	0	0	111.2	L260 R261 P262 T269 K274 D275 V276	L260-Y272 WeakPolarHBondContact O-CD1 3.4Å; R261-Y272 VanDerWaalsContact N-CE1 3.28Å; P262-Y272 HydrophobicContact CG-CD2 4.39Å; P262-Y272 HydrophobicContact CG-CE2 3.81Å; T269-Y272 PolarHBondContact O-N 2.92Å; T269-Y272 WeakPolarHBondContact OG1-CB 3.36Å; T269-Y272 PolarHBondContact OG1-N 3.47Å; T269-Y272 VanDerWaalsContact OG1-N 3.12Å; Y272-K274 VanDerWaalsContact C-N 3.32Å; Y272-K274 PolarHBondContact O-N 3.23Å; Y272-D275 PolarHBondContact O-N 3.44Å; Y272-D275 VanDerWaalsContact O-N 3.16Å; Y272-V276 HydrophobicContact CD1-CG1 3.97Å; Y272-V276 HydrophobicContact CD1-CG2 4.12Å; Y272-V276 HydrophobicContact CE1-CB 4.48Å; Y272-V276 HydrophobicContact CE1-CG1 3.53Å; Y272-V276 HydrophobicContact CE1-CG2 4.14Å; Y272-V276 WeakPolarHBondContact O-CG2 3.25Å; Y272-V276 PolarHBondContact O-N 3.25Å
273	V	90.8	Very high	89.3	Confident	35 Å²	35	83 Å²	83	21%	0.212	44%	0.438	C	S	.	.	H	α-helix	trans	-57.5	-45.9	176	172.7	0	0	0	0	111.1	L260 V268 T269 I270 E271 D275 V276 W277	L260-V273 HydrophobicContact CB-CG2 4.2Å; L260-V273 HydrophobicContact CD1-CG2 4.17Å; L260-V273 HydrophobicContact CD2-CG2 4.36Å; L260-V273 HydrophobicContact CG-CG2 4.47Å; V268-V273 HydrophobicContact CG1-CG2 3.65Å; T269-V273 WeakPolarHBondContact O-CG2 3.3Å; T269-V273 PolarHBondContact O-N 3.29Å; I270-V273 PolarHBondContact O-N 3.05Å; E271-V273 PolarHBondContact O-N 3.21Å; V273-D275 VanDerWaalsContact C-N 3.33Å; V273-D275 PolarHBondContact O-N 2.94Å; V273-V276 PolarHBondContact O-N 3.22Å; V273-W277 HydrophobicContact CG1-CE3 3.88Å; V273-W277 HydrophobicContact CG1-CZ3 4.2Å; V273-W277 WeakPolarHBondContact O-CA 3.32Å; V273-W277 WeakPolarHBondContact O-CB 3.28Å; V273-W277 PolarHBondContact O-N 2.88Å
274	K	92.9	Very high	89.8	Confident	154 Å²	154	86.1 Å²	86.1	67%	0.67	46%	0.46	S	S	*	.	H	α-helix	trans	-59.3	-44.5	176	171.6	178	161.6	-76	0	111.3	I270 E271 Y272 V276 W277	I270-K274 WeakPolarHBondContact O-CB 3.42Å; I270-K274 PolarHBondContact O-N 3.35Å; E271-K274 WeakPolarHBondContact O-CB 3.29Å; E271-K274 PolarHBondContact O-N 3.03Å; Y272-K274 VanDerWaalsContact C-N 3.32Å; Y272-K274 PolarHBondContact O-N 3.23Å; K274-V276 VanDerWaalsContact C-N 3.29Å; K274-V276 PolarHBondContact O-N 2.93Å; K274-W277 WeakPolarHBondContact O-CB 3.4Å; K274-W277 PolarHBondContact O-N 2.88Å
275	D	85.4	Confident	89.9	Confident	108 Å²	108	88.3 Å²	88.3	58%	0.578	47%	0.467	S	S	*	.	H	α-helix	trans	-68.5	-26.5	-176.8	-69.1	-13.3	0	0	0	113.3	E271 Y272 V273	E271-D275 PolarHBondContact O-N 2.89Å; Y272-D275 PolarHBondContact O-N 3.44Å; Y272-D275 VanDerWaalsContact O-N 3.16Å; V273-D275 VanDerWaalsContact C-N 3.33Å; V273-D275 PolarHBondContact O-N 2.94Å
276	V	84.4	Confident	90.2	Very high	8 Å²	8	82.4 Å²	82.4	5%	0.048	44%	0.44	C	S	.	.	H	α-helix	trans	-104.8	3.2	176.8	-53.6	0	0	0	0	113.9	A258 L260 Y272 V273 K274 S278 N279 V280	A258-V276 HydrophobicContact CB-CB 4.5Å; A258-V276 HydrophobicContact CB-CG2 4.43Å; L260-V276 HydrophobicContact CD2-CG2 3.57Å; Y272-V276 HydrophobicContact CD1-CG1 3.97Å; Y272-V276 HydrophobicContact CD1-CG2 4.12Å; Y272-V276 HydrophobicContact CE1-CB 4.48Å; Y272-V276 HydrophobicContact CE1-CG1 3.53Å; Y272-V276 HydrophobicContact CE1-CG2 4.14Å; Y272-V276 WeakPolarHBondContact O-CG2 3.25Å; Y272-V276 PolarHBondContact O-N 3.25Å; V273-V276 PolarHBondContact O-N 3.22Å; K274-V276 VanDerWaalsContact C-N 3.29Å; K274-V276 PolarHBondContact O-N 2.93Å; V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 2.96Å; V276-N279 WeakPolarHBondContact O-CB 3.4Å; V276-N279 PolarHBondContact O-N 2.87Å; V276-V280 HydrophobicContact CG2-CG2 4.33Å; V276-V280 PolarHBondContact O-N 3.41Å
277	W	92.4	Very high	90.5	Very high	136 Å²	136	86.8 Å²	86.8	52%	0.515	46%	0.456	S	S	.	.	H	α-helix	trans	-58.9	-37.3	-170	-170.4	-113.9	0	0	0	113.5	V273 K274 N279 V280 T281	V273-W277 HydrophobicContact CG1-CE3 3.88Å; V273-W277 HydrophobicContact CG1-CZ3 4.2Å; V273-W277 WeakPolarHBondContact O-CA 3.32Å; V273-W277 WeakPolarHBondContact O-CB 3.28Å; V273-W277 PolarHBondContact O-N 2.88Å; K274-W277 WeakPolarHBondContact O-CB 3.4Å; K274-W277 PolarHBondContact O-N 2.88Å; W277-N279 PolarHBondContact O-N 3.04Å; W277-V280 HydrophobicContact CE3-CB 3.99Å; W277-V280 HydrophobicContact CE3-CG1 4.08Å; W277-V280 HydrophobicContact CE3-CG2 4.17Å; W277-V280 HydrophobicContact CH2-CG1 4.34Å; W277-V280 HydrophobicContact CZ3-CB 4.26Å; W277-V280 HydrophobicContact CZ3-CG1 3.82Å; W277-V280 WeakPolarHBondContact O-CB 3.47Å; W277-V280 PolarHBondContact O-N 2.87Å; W277-T281 HydrophobicContact CD2-CG2 4.25Å; W277-T281 HydrophobicContact CZ2-CG2 3.84Å; W277-T281 PolarHBondContact O-N 2.91Å; W277-T281 PolarHBondContact O-OG1 2.9Å
278	S	89.9	Confident	90.6	Very high	81 Å²	81	86.8 Å²	86.8	57%	0.566	45%	0.448	S	S	*	.	H	α-helix	trans	-59.6	-31.1	176.3	56.4	0	0	0	0	112.9	V276 D282	V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 2.96Å; S278-D282 WeakPolarHBondContact O-CB 3.17Å; S278-D282 PolarHBondContact O-N 3.37Å; S278-D282 VanDerWaalsContact O-N 3.17Å
279	N	85.8	Confident	90.4	Very high	70 Å²	70	85.3 Å²	85.3	37%	0.374	44%	0.437	S	S	.	.	H	α-helix	trans	-78.8	-31.2	175.7	-59.5	-16.4	0	0	0	111.7	A258 V276 W277 T281	A258-N279 HydrophobicContact CB-CB 3.75Å; V276-N279 WeakPolarHBondContact O-CB 3.4Å; V276-N279 PolarHBondContact O-N 2.87Å; W277-N279 PolarHBondContact O-N 3.04Å; N279-T281 VanDerWaalsContact C-N 3.31Å
280	V	89.3	Confident	90.2	Very high	44 Å²	44	85.3 Å²	85.3	27%	0.267	45%	0.449	S	S	.	.	H	α-helix	trans	-64.9	-39.6	175.5	178.7	0	0	0	0	110.6	A258 L260 V276 W277	A258-V280 HydrophobicContact CB-CG2 3.99Å; L260-V280 HydrophobicContact CD2-CG2 3.64Å; V276-V280 HydrophobicContact CG2-CG2 4.33Å; V276-V280 PolarHBondContact O-N 3.41Å; W277-V280 HydrophobicContact CE3-CB 3.99Å; W277-V280 HydrophobicContact CE3-CG1 4.08Å; W277-V280 HydrophobicContact CE3-CG2 4.17Å; W277-V280 HydrophobicContact CH2-CG1 4.34Å; W277-V280 HydrophobicContact CZ3-CB 4.26Å; W277-V280 HydrophobicContact CZ3-CG1 3.82Å; W277-V280 WeakPolarHBondContact O-CB 3.47Å; W277-V280 PolarHBondContact O-N 2.87Å
281	T	94.6	Very high	89.9	Confident	75 Å²	75	81.1 Å²	81.1	46%	0.46	44%	0.435	S	S	.	.	S	Bend	trans	-95.7	2.9	-177	59.6	0	0	0	0	114	W277 N279 M283	W277-T281 HydrophobicContact CD2-CG2 4.25Å; W277-T281 HydrophobicContact CZ2-CG2 3.84Å; W277-T281 PolarHBondContact O-N 2.91Å; W277-T281 PolarHBondContact O-OG1 2.9Å; N279-T281 VanDerWaalsContact C-N 3.31Å; T281-M283 PolarHBondContact O-N 3.32Å
282	D	88.8	Confident	89.8	Confident	64 Å²	64	81.9 Å²	81.9	34%	0.342	44%	0.442	S	S	.	.			trans	-69.5	116.6	176.6	-177.1	9.3	0	0	0	111.3	S278 S284	S278-D282 WeakPolarHBondContact O-CB 3.17Å; S278-D282 PolarHBondContact O-N 3.37Å; S278-D282 VanDerWaalsContact O-N 3.17Å; D282-S284 VanDerWaalsContact CG-OG 3.26Å; D282-S284 WeakPolarHBondContact OD1-CB 3.36Å; D282-S284 PolarHBondContact OD1-N 3.25Å; D282-S284 PolarHBondContact OD1-OG 3.49Å; D282-S284 PolarHBondContact OD2-OG 3.15Å; D282-S284 VanDerWaalsContact OD2-OG 3.07Å
283	M	95.1	Very high	90.1	Very high	96 Å²	96	81.9 Å²	81.9	47%	0.473	46%	0.456	S	S	.	.			trans	-104.7	3	178.8	-62.3	-59.9	-72.5	0	0	113.2	V253 T281 K285 A286	V253-M283 HydrophobicContact CG2-CE 3.69Å; T281-M283 PolarHBondContact O-N 3.32Å; M283-K285 PolarHBondContact O-N 2.88Å; M283-A286 HydrophobicContact CB-CB 4.26Å; M283-A286 HydrophobicContact CE-CB 3.55Å; M283-A286 VanDerWaalsContact O-CB 3.23Å; M283-A286 WeakPolarHBondContact O-CB 3.36Å; M283-A286 PolarHBondContact O-N 2.92Å; M283-A286 HydrophobicContact SD-CB 4.22Å
284	S	89.7	Confident	90	Very high	95 Å²	95	84.5 Å²	84.5	66%	0.664	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.3	-177.9	65.5	0	0	0	0	113.5	D282	D282-S284 VanDerWaalsContact CG-OG 3.26Å; D282-S284 WeakPolarHBondContact OD1-CB 3.36Å; D282-S284 PolarHBondContact OD1-N 3.25Å; D282-S284 PolarHBondContact OD1-OG 3.49Å; D282-S284 PolarHBondContact OD2-OG 3.15Å; D282-S284 VanDerWaalsContact OD2-OG 3.07Å
285	K	84.9	Confident	89.8	Confident	100 Å²	100	78.6 Å²	78.6	44%	0.435	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	23.9	175.1	-58.7	-171.9	-178.6	-171	0	112.6	M283 D316	M283-K285 PolarHBondContact O-N 2.88Å; K285-D316 IonicContact NZ-OD1 3.26Å; K285-D316 PolarHBondContact NZ-OD1 2.82Å; K285-D316 IonicContact NZ-OD2 3.79Å
286	A	92.9	Very high	90.1	Very high	33 Å²	33	76.5 Å²	76.5	27%	0.273	44%	0.44	S	S	.	.			trans	-65	143	-177.5	0	0	0	0	0	112.4	V253 R254 M283	V253-A286 HydrophobicContact CB-CB 4.23Å; V253-A286 HydrophobicContact CG2-CB 4.25Å; R254-A286 CarbonylContact O-C 3.5Å; R254-A286 VanDerWaalsContact O-CA 3.25Å; R254-A286 WeakPolarHBondContact O-CA 3.44Å; M283-A286 HydrophobicContact CB-CB 4.26Å; M283-A286 HydrophobicContact CE-CB 3.55Å; M283-A286 VanDerWaalsContact O-CB 3.23Å; M283-A286 WeakPolarHBondContact O-CB 3.36Å; M283-A286 PolarHBondContact O-N 2.92Å; M283-A286 HydrophobicContact SD-CB 4.22Å
287	K	91.4	Very high	90.3	Very high	153 Å²	153	77.5 Å²	77.5	67%	0.665	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.4	-178.6	-61.5	-177.4	-178.3	-176.1	0	110.9	V253 R254	V253-K287 CarbonylContact C-O 3.56Å; V253-K287 WeakPolarHBondContact CA-O 3.5Å; R254-K287 PolarHBondContact N-O 2.94Å; R254-K287 PolarHBondContact O-N 3.29Å
288	H	92.7	Very high	89.9	Confident	94 Å²	94	73.2 Å²	73.2	44%	0.435	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.5	168.5	176.2	54.3	0	0	0	109.8	H251 M252 V253	H251-H288 AromaticContact CG-ND1 3.95Å; H251-H288 AromaticContact ND1-CG 3.63Å; M252-H288 PolarHBondContact O-ND1 3.41Å; V253-H288 HydrophobicContact CG1-CB 4.37Å
289	L	89.5	Confident	89.7	Confident	50 Å²	50	74 Å²	74	26%	0.262	44%	0.438	S	S	.	.			trans	-111.4	131	171.6	-58.2	-177.1	0	0	0	109.3	R254 E294 A295	R254-L289 HydrophobicContact CB-CD1 4.32Å; L289-E294 VanDerWaalsContact CA-OE2 3.31Å; L289-E294 WeakPolarHBondContact CA-OE2 3.27Å; L289-E294 HydrophobicContact CB-CB 4.47Å; L289-E294 HydrophobicContact CD2-CB 4.28Å; L289-A295 HydrophobicContact CD1-CB 3.76Å
290	G	87.7	Confident	89.7	Confident	58 Å²	58	75.7 Å²	75.7	60%	0.598	45%	0.446	S	S	*	.	S	Bend	trans	-82.4	-23.3	-175.9	0	0	0	0	0	113.9	E294	G290-E294 PolarHBondContact N-OE1 3.04Å; G290-E294 PolarHBondContact N-OE2 3.42Å
291	A	90.2	Very high	89.4	Confident	50 Å²	50	78.9 Å²	78.9	41%	0.413	46%	0.458	S	S	.	.	S	Bend	trans	-149.1	158.8	-176.9	0	0	0	0	0	113.3	A293 E294	A291-A293 PolarHBondContact O-N 3.46Å; A291-E294 PolarHBondContact O-N 3.24Å
292	I	92.1	Very high	88.9	Confident	145 Å²	145	77.8 Å²	77.8	74%	0.744	45%	0.451	S	S	*	.	H	α-helix	trans	-59.4	-31.5	174.2	-168.8	168.6	0	0	0	112.7	E294 A295 S296	I292-E294 VanDerWaalsContact C-N 3.34Å; I292-E294 PolarHBondContact O-N 2.7Å; I292-A295 WeakPolarHBondContact O-CB 3.38Å; I292-A295 PolarHBondContact O-N 2.92Å; I292-S296 PolarHBondContact O-N 2.91Å; I292-S296 PolarHBondContact O-OG 3.29Å
293	A	91.4	Very high	88.6	Confident	71 Å²	71	77.9 Å²	77.9	59%	0.587	45%	0.452	S	S	*	.	H	α-helix	trans	-63.1	-38.5	179	0	0	0	0	0	112.4	A291 A295 S296 G297	A291-A293 PolarHBondContact O-N 3.46Å; A293-A295 VanDerWaalsContact C-N 3.33Å; A293-S296 PolarHBondContact O-N 2.92Å; A293-G297 PolarHBondContact O-N 3.42Å
294	E	89	Confident	87.7	Confident	90 Å²	90	78.9 Å²	78.9	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-42.6	174.6	-64.8	168.2	-149.2	0	0	110.5	L289 G290 A291 I292 S296 G297 T298	L289-E294 VanDerWaalsContact CA-OE2 3.31Å; L289-E294 WeakPolarHBondContact CA-OE2 3.27Å; L289-E294 HydrophobicContact CB-CB 4.47Å; L289-E294 HydrophobicContact CD2-CB 4.28Å; G290-E294 PolarHBondContact N-OE1 3.04Å; G290-E294 PolarHBondContact N-OE2 3.42Å; A291-E294 PolarHBondContact O-N 3.24Å; I292-E294 VanDerWaalsContact C-N 3.34Å; I292-E294 PolarHBondContact O-N 2.7Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.22Å; E294-G297 PolarHBondContact O-N 3.07Å; E294-T298 PolarHBondContact O-N 2.72Å; E294-T298 VanDerWaalsContact O-N 3.08Å; E294-T298 PolarHBondContact O-OG1 3.17Å; E294-T298 VanDerWaalsContact O-OG1 3.13Å
295	A	89.5	Confident	86.8	Confident	30 Å²	30	78.6 Å²	78.6	25%	0.248	44%	0.442	C	S	.	.	H	α-helix	trans	-63.1	-38.5	178.5	0	0	0	0	0	112.7	R254 L289 I292 A293	R254-A295 PolarHBondContact NH1-O 3.1Å; L289-A295 HydrophobicContact CD1-CB 3.76Å; I292-A295 WeakPolarHBondContact O-CB 3.38Å; I292-A295 PolarHBondContact O-N 2.92Å; A293-A295 VanDerWaalsContact C-N 3.33Å
296	S	90.7	Very high	86.3	Confident	64 Å²	64	74.5 Å²	74.5	45%	0.448	43%	0.425	S	S	.	.	H	α-helix	trans	-69	-41	173.5	-63.5	0	0	0	0	112.3	I292 A293 E294 T298 L299 L300	I292-S296 PolarHBondContact O-N 2.91Å; I292-S296 PolarHBondContact O-OG 3.29Å; A293-S296 PolarHBondContact O-N 2.92Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.22Å; S296-T298 PolarHBondContact O-N 2.82Å; S296-L299 PolarHBondContact O-N 3.04Å; S296-L299 VanDerWaalsContact O-N 3.16Å; S296-L300 PolarHBondContact O-N 2.83Å; S296-L300 VanDerWaalsContact O-N 3.14Å
297	G	87.9	Confident	85.3	Confident	28 Å²	28	80 Å²	80	29%	0.289	44%	0.443	S	S	.	.	H	α-helix	trans	-57	-49.3	176.9	0	0	0	0	0	112.2	A293 E294 L299 L300 E301	A293-G297 PolarHBondContact O-N 3.42Å; E294-G297 PolarHBondContact O-N 3.07Å; G297-L299 PolarHBondContact O-N 3.36Å; G297-L300 WeakPolarHBondContact O-CB 3.33Å; G297-L300 PolarHBondContact O-N 2.82Å; G297-E301 PolarHBondContact O-N 2.88Å; G297-E301 VanDerWaalsContact O-N 3.1Å
298	T	84.5	Confident	84.1	Confident	47 Å²	47	80.6 Å²	80.6	29%	0.288	45%	0.448	S	S	.	.	H	α-helix	trans	-58.2	-34.6	176.8	-50.2	0	0	0	0	112.8	E294 S296 V302	E294-T298 PolarHBondContact O-N 2.72Å; E294-T298 VanDerWaalsContact O-N 3.08Å; E294-T298 PolarHBondContact O-OG1 3.17Å; E294-T298 VanDerWaalsContact O-OG1 3.13Å; S296-T298 PolarHBondContact O-N 2.82Å; T298-V302 VanDerWaalsContact O-CG2 3.32Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 3.28Å; T298-V302 VanDerWaalsContact O-N 3.15Å
299	L	86.2	Confident	82.2	Confident	97 Å²	97	78.7 Å²	78.7	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-72	-36.4	178.5	-177.7	61.5	0	0	0	112	S296 G297 V302 L303	S296-L299 PolarHBondContact O-N 3.04Å; S296-L299 VanDerWaalsContact O-N 3.16Å; G297-L299 PolarHBondContact O-N 3.36Å; L299-V302 PolarHBondContact O-N 3.02Å; L299-L303 WeakPolarHBondContact O-CG 3.25Å; L299-L303 PolarHBondContact O-N 3.25Å
300	L	86.3	Confident	80.3	Confident	106 Å²	106	78 Å²	78	56%	0.555	46%	0.459	S	S	*	.	H	α-helix	trans	-63.2	-44.7	174.9	-70.7	170.4	0	0	0	110.9	S296 G297 V302 L303 E304	S296-L300 PolarHBondContact O-N 2.83Å; S296-L300 VanDerWaalsContact O-N 3.14Å; G297-L300 WeakPolarHBondContact O-CB 3.33Å; G297-L300 PolarHBondContact O-N 2.82Å; L300-V302 VanDerWaalsContact C-N 3.31Å; L300-V302 PolarHBondContact O-N 3.36Å; L300-L303 WeakPolarHBondContact O-CB 3.14Å; L300-L303 PolarHBondContact O-N 3.17Å; L300-L303 VanDerWaalsContact O-N 3.08Å; L300-E304 WeakPolarHBondContact O-CG 3.37Å; L300-E304 PolarHBondContact O-N 3.02Å
301	E	81.9	Confident	78.6	Confident	110 Å²	110	76.7 Å²	76.7	51%	0.514	45%	0.445	S	S	.	.	H	α-helix	trans	-57.7	-43.2	174.8	-68.5	170	-170.5	0	0	111.9	G297 L303 E304 K305	G297-E301 PolarHBondContact O-N 2.88Å; G297-E301 VanDerWaalsContact O-N 3.1Å; E301-L303 VanDerWaalsContact C-N 3.32Å; E301-L303 PolarHBondContact O-N 3.23Å; E301-E304 PolarHBondContact O-N 3.35Å; E301-K305 WeakPolarHBondContact O-CG 3.44Å; E301-K305 PolarHBondContact O-N 3.08Å
302	V	83.6	Confident	77	Confident	52 Å²	52	79.4 Å²	79.4	32%	0.315	45%	0.452	S	S	.	.	H	α-helix	trans	-61.9	-40.3	175.9	169.8	0	0	0	0	111.6	V259 T298 L299 L300 L306	V259-V302 HydrophobicContact CG2-CG1 3.95Å; T298-V302 VanDerWaalsContact O-CG2 3.32Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 3.28Å; T298-V302 VanDerWaalsContact O-N 3.15Å; L299-V302 PolarHBondContact O-N 3.02Å; L300-V302 VanDerWaalsContact C-N 3.31Å; L300-V302 PolarHBondContact O-N 3.36Å; V302-L306 WeakPolarHBondContact O-CB 3.16Å; V302-L306 PolarHBondContact O-N 3.03Å
303	L	83	Confident	75.6	Confident	67 Å²	67	75.2 Å²	75.2	35%	0.351	44%	0.439	S	S	.	.	H	α-helix	trans	-68.7	-38.6	177.7	-73.9	172.5	0	0	0	112.4	L264 L299 L300 E301 L306 K307	L264-L303 HydrophobicContact CD2-CD2 4.2Å; L299-L303 WeakPolarHBondContact O-CG 3.25Å; L299-L303 PolarHBondContact O-N 3.25Å; L300-L303 WeakPolarHBondContact O-CB 3.14Å; L300-L303 PolarHBondContact O-N 3.17Å; L300-L303 VanDerWaalsContact O-N 3.08Å; E301-L303 VanDerWaalsContact C-N 3.32Å; E301-L303 PolarHBondContact O-N 3.23Å; L303-L306 PolarHBondContact O-N 3.09Å; L303-K307 WeakPolarHBondContact O-CG 3.3Å; L303-K307 PolarHBondContact O-N 2.98Å
304	E	77.5	Confident	74.7	Confident	116 Å²	116	73.2 Å²	73.2	54%	0.542	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-47.6	174.8	-73.5	176.8	170.4	0	0	110.9	L300 E301 L306 K307 E308	L300-E304 WeakPolarHBondContact O-CG 3.37Å; L300-E304 PolarHBondContact O-N 3.02Å; E301-E304 PolarHBondContact O-N 3.35Å; E304-L306 VanDerWaalsContact C-N 3.25Å; E304-L306 PolarHBondContact O-N 3.13Å; E304-K307 WeakPolarHBondContact O-CB 3.34Å; E304-K307 PolarHBondContact O-N 3.4Å; E304-E308 PolarHBondContact O-N 2.73Å
305	K	69.8	Low	74.3	Confident	89 Å²	89	71.5 Å²	71.5	39%	0.387	41%	0.41	S	S	.	.	H	α-helix	trans	-58.9	-36.7	174.6	-72	-177.7	179.5	-167.3	0	112.9	E301 E308 E315	E301-K305 WeakPolarHBondContact O-CG 3.44Å; E301-K305 PolarHBondContact O-N 3.08Å; K305-E308 PolarHBondContact O-N 2.99Å; K305-E315 IonicContact NZ-OE1 3.96Å; K305-E315 PolarHBondContact NZ-OE1 2.8Å; K305-E315 IonicContact NZ-OE2 3.15Å; K305-E315 PolarHBondContact NZ-OE2 3.5Å
306	L	74.2	Confident	74.1	Confident	15 Å²	15	72.6 Å²	72.6	8%	0.079	41%	0.412	C	S	.	.	H	α-helix	trans	-72.4	-29.7	177.3	-168.6	56	0	0	0	112.9	V259 R261 L264 V302 L303 E304	V259-L306 HydrophobicContact CG1-CD1 3.78Å; V259-L306 HydrophobicContact CG1-CD2 3.77Å; V259-L306 HydrophobicContact CG1-CG 4.34Å; R261-L306 HydrophobicContact CG-CD2 4.05Å; L264-L306 HydrophobicContact CD2-CB 4.22Å; L264-L306 HydrophobicContact CD2-CD2 3.62Å; L264-L306 HydrophobicContact CD2-CG 3.85Å; L264-L306 HydrophobicContact CG-CB 4.42Å; L264-L306 HydrophobicContact CG-CD2 4.3Å; L264-L306 HydrophobicContact CG-CG 4.01Å; V302-L306 WeakPolarHBondContact O-CB 3.16Å; V302-L306 PolarHBondContact O-N 3.03Å; L303-L306 PolarHBondContact O-N 3.09Å; E304-L306 VanDerWaalsContact C-N 3.25Å; E304-L306 PolarHBondContact O-N 3.13Å
307	K	72.2	Confident	74	Confident	149 Å²	149	71.6 Å²	71.6	65%	0.648	41%	0.407	S	S	*	.	H	α-helix	trans	-66.1	-36.3	172.9	-77.6	174.7	178.9	177.8	0	112.4	L264 L303 E304 G309	L264-K307 HydrophobicContact CD1-CB 4.28Å; L264-K307 HydrophobicContact CD1-CD 4.27Å; L264-K307 HydrophobicContact CD1-CG 3.24Å; L264-K307 HydrophobicContact CG-CG 4.21Å; L303-K307 WeakPolarHBondContact O-CG 3.3Å; L303-K307 PolarHBondContact O-N 2.98Å; E304-K307 WeakPolarHBondContact O-CB 3.34Å; E304-K307 PolarHBondContact O-N 3.4Å; K307-G309 PolarHBondContact O-N 3.28Å; K307-G309 VanDerWaalsContact O-N 3.13Å
308	E	66.4	Low	74.2	Confident	165 Å²	165	71.6 Å²	71.6	77%	0.771	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-2	-177.7	-68.3	179.7	173.1	0	0	113.8	E304 K305	E304-E308 PolarHBondContact O-N 2.73Å; K305-E308 PolarHBondContact O-N 2.99Å
309	G	53.5	Low	74.7	Confident	53 Å²	53	76.5 Å²	76.5	55%	0.546	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	33.6	173.3	0	0	0	0	0	114.2	K307 G311	K307-G309 PolarHBondContact O-N 3.28Å; K307-G309 VanDerWaalsContact O-N 3.13Å; G309-G311 PolarHBondContact O-N 3.2Å
310	G	48.9	Very low	75.2	Confident	37 Å²	37	72.2 Å²	72.2	38%	0.381	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	29	-174.7	0	0	0	0	0	117.9	D312	G310-D312 PolarHBondContact O-N 2.88Å
311	G	51	Low	75.7	Confident	30 Å²	30	70.4 Å²	70.4	31%	0.309	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.8	179.6	0	0	0	0	0	114.4	G309 K376	G309-G311 PolarHBondContact O-N 3.2Å; G311-K376 PolarHBondContact O-NZ 2.83Å
312	D	56.6	Low	76.4	Confident	107 Å²	107	66.9 Å²	66.9	57%	0.572	38%	0.375	S	S	*	.	S	Bend	trans	-123.8	-6.6	-177.8	-64.8	-32.1	0	0	0	114.4	G310 K376	G310-D312 PolarHBondContact O-N 2.88Å; D312-K376 IonicContact OD1-NZ 3.87Å; D312-K376 PolarHBondContact OD1-NZ 2.77Å
313	A	63.2	Low	77.1	Confident	56 Å²	56	71 Å²	71	46%	0.463	39%	0.388	S	S	.	.			trans	-82.8	123.8	176.2	0	0	0	0	0	109.7	G411	A313-G411 CarbonylContact C-O 3.47Å; A313-G411 VanDerWaalsContact CA-O 3.3Å; A313-G411 WeakPolarHBondContact CA-O 3.29Å
314	I	72.5	Confident	77.8	Confident	29 Å²	29	70.4 Å²	70.4	15%	0.149	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.2	172.4	52.9	172.2	0	0	0	108.9	L366 T370 L373 N410 G411	I314-L366 HydrophobicContact CB-CD1 4.05Å; I314-L366 HydrophobicContact CD1-CD1 3.74Å; I314-L366 HydrophobicContact CD1-CD2 4.35Å; I314-L366 HydrophobicContact CD1-CG 3.59Å; I314-L366 HydrophobicContact CG1-CD1 3.79Å; I314-L366 HydrophobicContact CG1-CD2 4.07Å; I314-L366 HydrophobicContact CG1-CG 3.79Å; I314-T370 HydrophobicContact CB-CG2 4.28Å; I314-T370 HydrophobicContact CD1-CG2 3.6Å; I314-T370 WeakPolarHBondContact CD1-OG1 3.32Å; I314-T370 HydrophobicContact CG2-CG2 4.06Å; I314-L373 HydrophobicContact CD1-CB 4.22Å; I314-L373 HydrophobicContact CD1-CD1 3.49Å; I314-L373 VanDerWaalsContact CD1-CD1 3.49Å; I314-L373 HydrophobicContact CD1-CG 4.38Å; I314-L373 HydrophobicContact CG1-CD1 3.67Å; I314-N410 CarbonylContact O-C 3.55Å; I314-N410 WeakPolarHBondContact O-CA 3.48Å; I314-G411 WeakPolarHBondContact CG1-O 3.38Å; I314-G411 PolarHBondContact N-O 3.25Å; I314-G411 PolarHBondContact O-N 3.46Å
315	E	80.4	Confident	78.8	Confident	54 Å²	54	65.2 Å²	65.2	25%	0.252	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.8	-178.7	-176.6	-169.4	79.6	0	0	109.8	K305 L408 T409 N410	K305-E315 IonicContact NZ-OE1 3.96Å; K305-E315 PolarHBondContact NZ-OE1 2.8Å; K305-E315 IonicContact NZ-OE2 3.15Å; K305-E315 PolarHBondContact NZ-OE2 3.5Å; E315-L408 VanDerWaalsContact CD-CD1 3.43Å; E315-L408 HydrophobicContact CG-CD1 3.47Å; E315-L408 VanDerWaalsContact CG-CD1 3.47Å; E315-L408 HydrophobicContact CG-CD2 4.43Å; E315-L408 HydrophobicContact CG-CG 3.8Å; E315-L408 WeakPolarHBondContact OE2-CD2 3.38Å; E315-T409 VanDerWaalsContact CA-O 3.26Å; E315-T409 WeakPolarHBondContact CA-O 3.19Å; E315-N410 WeakPolarHBondContact CB-OD1 3.38Å; E315-N410 VanDerWaalsContact CG-OD1 3.26Å; E315-N410 WeakPolarHBondContact CG-OD1 3.41Å; E315-N410 PolarHBondContact OE2-OD1 2.8Å
316	D	85.6	Confident	80.2	Confident	54 Å²	54	62.3 Å²	62.3	29%	0.289	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.1	167.4	-156.5	16.3	0	0	0	111.8	K285 L366 T409	K285-D316 IonicContact NZ-OD1 3.26Å; K285-D316 PolarHBondContact NZ-OD1 2.82Å; K285-D316 IonicContact NZ-OD2 3.79Å; D316-L366 HydrophobicContact CB-CD1 3.81Å; D316-T409 PolarHBondContact N-O 3.09Å; D316-T409 VanDerWaalsContact N-O 3.12Å; D316-T409 PolarHBondContact O-N 2.95Å
317	A	88.7	Confident	81.3	Confident	42 Å²	42	63.1 Å²	63.1	35%	0.347	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.8	175.3	0	0	0	0	0	109.7	T406 L407	A317-T406 HydrophobicContact CB-CG2 3.87Å; A317-L407 CarbonylContact C-O 3.59Å; A317-L407 WeakPolarHBondContact CA-O 3.18Å
318	F	92.2	Very high	82.5	Confident	29 Å²	29	56.1 Å²	56.1	13%	0.127	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.4	175.5	-179.4	-92.8	0	0	0	109.2	F320 F358 L361 P362 L365 L407	F318-F320 HydrophobicContact CD1-CB 4.4Å; F318-F320 HydrophobicContact CD1-CD1 4.14Å; F318-F320 HydrophobicContact CE1-CB 3.84Å; F318-F320 HydrophobicContact CE1-CD1 4.18Å; F318-F320 HydrophobicContact CE1-CG 4.2Å; F318-F358 AromaticContact CE1-CE1 3.78Å; F318-F358 HydrophobicContact CE1-CE1 3.78Å; F318-F358 AromaticContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CZ-CE1 4.33Å; F318-F358 HydrophobicContact CZ-CE2 4.43Å; F318-F358 AromaticContact CZ-CZ 3.79Å; F318-F358 HydrophobicContact CZ-CZ 3.79Å; F318-L361 HydrophobicContact CE2-CB 4.33Å; F318-L361 HydrophobicContact CZ-CB 4.22Å; F318-P362 HydrophobicContact CB-CB 3.92Å; F318-P362 HydrophobicContact CB-CG 4.18Å; F318-P362 HydrophobicContact CD1-CB 4.32Å; F318-P362 HydrophobicContact CD1-CG 3.65Å; F318-P362 HydrophobicContact CD2-CB 4.49Å; F318-P362 HydrophobicContact CD2-CG 4.4Å; F318-P362 HydrophobicContact CE1-CG 4.06Å; F318-P362 HydrophobicContact CG-CB 4Å; F318-P362 HydrophobicContact CG-CG 3.81Å; F318-L365 HydrophobicContact CD2-CD1 3.95Å; F318-L365 HydrophobicContact CE2-CD1 3.65Å; F318-L407 PolarHBondContact N-O 2.86Å; F318-L407 PolarHBondContact O-N 3.06Å
319	E	94.4	Very high	84.1	Confident	149 Å²	149	48.3 Å²	48.3	70%	0.696	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	136.3	178.2	-67.9	177.2	-163.7	0	0	110.4	T406	E319-T406 HydrophobicContact CG-CG2 3.9Å
320	F	96.7	Very high	86.2	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.1	176.5	74.9	-74.5	0	0	0	111.5	F318 E324 L325 F358 F359 P402 S404 G405 L407	F318-F320 HydrophobicContact CD1-CB 4.4Å; F318-F320 HydrophobicContact CD1-CD1 4.14Å; F318-F320 HydrophobicContact CE1-CB 3.84Å; F318-F320 HydrophobicContact CE1-CD1 4.18Å; F318-F320 HydrophobicContact CE1-CG 4.2Å; F320-E324 HydrophobicContact CB-CB 4.09Å; F320-E324 HydrophobicContact CB-CG 4.39Å; F320-L325 HydrophobicContact CD2-CD1 4.33Å; F320-L325 HydrophobicContact CD2-CD2 3.79Å; F320-L325 HydrophobicContact CD2-CG 3.95Å; F320-L325 HydrophobicContact CE2-CD1 4.13Å; F320-L325 HydrophobicContact CE2-CD2 3.91Å; F320-L325 HydrophobicContact CE2-CG 4.19Å; F320-F358 HydrophobicContact CB-CE1 4.14Å; F320-F358 HydrophobicContact CB-CZ 3.86Å; F320-F358 HydrophobicContact CD1-CE1 4.48Å; F320-F358 AromaticContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CZ 4.08Å; F320-F358 HydrophobicContact CE2-CE1 4.19Å; F320-F358 AromaticContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CZ 4.08Å; F320-F359 HydrophobicContact CE1-CE1 4.23Å; F320-F359 HydrophobicContact CE2-CE1 4.29Å; F320-F359 HydrophobicContact CE2-CZ 4.18Å; F320-F359 AromaticContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CZ 4.01Å; F320-P402 WeakPolarHBondContact CE2-O 3.5Å; F320-P402 HydrophobicContact CZ-CB 4.35Å; F320-P402 HydrophobicContact CZ-CG 4.02Å; F320-P402 WeakPolarHBondContact CZ-O 3.27Å; F320-S404 CarbonylContact O-C 3.53Å; F320-S404 WeakPolarHBondContact O-CA 3.47Å; F320-G405 VanDerWaalsContact CD1-O 3.31Å; F320-G405 WeakPolarHBondContact CD1-O 3.23Å; F320-G405 PolarHBondContact N-O 3.37Å; F320-G405 PolarHBondContact O-N 3.17Å; F320-L407 HydrophobicContact CD1-CG 4.47Å; F320-L407 HydrophobicContact CE1-CD1 4.13Å; F320-L407 HydrophobicContact CE1-CD2 4.36Å; F320-L407 HydrophobicContact CE1-CG 3.87Å
321	N	97.3	Very high	88.5	Confident	69 Å²	69	47.3 Å²	47.3	37%	0.369	26%	0.26	S	S	.	.			trans	-139.5	-168	168.3	61.6	68.4	0	0	0	110	K323 E324 L325 T403	N321-K323 PolarHBondContact O-N 3.22Å; N321-K323 VanDerWaalsContact O-N 3.13Å; N321-K323 WeakPolarHBondContact OD1-CB 3.39Å; N321-K323 PolarHBondContact OD1-N 3.48Å; N321-E324 PolarHBondContact N-OE2 3.02Å; N321-E324 PolarHBondContact ND2-OE2 2.9Å; N321-E324 VanDerWaalsContact ND2-OE2 3.16Å; N321-E324 PolarHBondContact O-N 3.01Å; N321-E324 VanDerWaalsContact O-N 3.15Å; N321-E324 PolarHBondContact OD1-OE2 3.32Å; N321-L325 PolarHBondContact O-N 3.02Å; N321-T403 CarbonylContact C-O 3.41Å
322	S	97.5	Very high	90.8	Very high	35 Å²	35	45.9 Å²	45.9	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-53.4	-33.9	179.6	54.7	0	0	0	0	113.1	E324 L325 I326	S322-E324 PolarHBondContact O-N 2.97Å; S322-L325 PolarHBondContact O-N 2.77Å; S322-I326 WeakPolarHBondContact O-CB 3.43Å; S322-I326 WeakPolarHBondContact O-CD1 3.37Å; S322-I326 WeakPolarHBondContact O-CG1 3.31Å; S322-I326 PolarHBondContact O-N 2.78Å
323	K	97.7	Very high	92.7	Very high	138 Å²	138	41.8 Å²	41.8	60%	0.6	23%	0.228	S	C	*	.	H	α-helix	trans	-59.6	-48.4	178	-176.9	-171.4	170.1	-166.5	0	112.1	N321 L325 T327	N321-K323 PolarHBondContact O-N 3.22Å; N321-K323 VanDerWaalsContact O-N 3.13Å; N321-K323 WeakPolarHBondContact OD1-CB 3.39Å; N321-K323 PolarHBondContact OD1-N 3.48Å; K323-L325 VanDerWaalsContact C-N 3.35Å; K323-T327 VanDerWaalsContact O-CB 3.27Å; K323-T327 WeakPolarHBondContact O-CB 3.14Å; K323-T327 PolarHBondContact O-N 2.91Å; K323-T327 PolarHBondContact O-OG1 3.25Å
324	E	97.7	Very high	94.3	Very high	55 Å²	55	39.4 Å²	39.4	26%	0.257	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-39	179.6	-72.7	66.7	-133.7	0	0	111.1	F320 N321 S322 T327 Y328 F358	F320-E324 HydrophobicContact CB-CB 4.09Å; F320-E324 HydrophobicContact CB-CG 4.39Å; N321-E324 PolarHBondContact N-OE2 3.02Å; N321-E324 PolarHBondContact ND2-OE2 2.9Å; N321-E324 VanDerWaalsContact ND2-OE2 3.16Å; N321-E324 PolarHBondContact O-N 3.01Å; N321-E324 VanDerWaalsContact O-N 3.15Å; N321-E324 PolarHBondContact OD1-OE2 3.32Å; S322-E324 PolarHBondContact O-N 2.97Å; E324-T327 PolarHBondContact O-N 3.19Å; E324-Y328 WeakPolarHBondContact O-CB 3.48Å; E324-Y328 PolarHBondContact O-N 2.92Å; E324-F358 HydrophobicContact CB-CE2 4.13Å; E324-F358 HydrophobicContact CB-CZ 4.04Å
325	L	98.1	Very high	95.4	Very high	7 Å²	7	40 Å²	40	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-47.2	176.5	-63.3	-176.9	0	0	0	112.5	F320 N321 S322 K323 Y328 A329 F352 A354 F358 T403	F320-L325 HydrophobicContact CD2-CD1 4.33Å; F320-L325 HydrophobicContact CD2-CD2 3.79Å; F320-L325 HydrophobicContact CD2-CG 3.95Å; F320-L325 HydrophobicContact CE2-CD1 4.13Å; F320-L325 HydrophobicContact CE2-CD2 3.91Å; F320-L325 HydrophobicContact CE2-CG 4.19Å; N321-L325 PolarHBondContact O-N 3.02Å; S322-L325 PolarHBondContact O-N 2.77Å; K323-L325 VanDerWaalsContact C-N 3.35Å; L325-Y328 PolarHBondContact O-N 3.35Å; L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.43Å; L325-F352 HydrophobicContact CB-CZ 4.35Å; L325-F352 HydrophobicContact CD1-CE1 4.25Å; L325-F352 HydrophobicContact CD1-CZ 4.14Å; L325-A354 HydrophobicContact CD1-CB 3.91Å; L325-A354 HydrophobicContact CD2-CB 3.64Å; L325-A354 HydrophobicContact CG-CB 4.36Å; L325-F358 HydrophobicContact CD2-CB 4.47Å; L325-F358 HydrophobicContact CD2-CD1 3.4Å; L325-F358 HydrophobicContact CD2-CD2 4.1Å; L325-F358 HydrophobicContact CD2-CE1 3.46Å; L325-F358 VanDerWaalsContact CD2-CE1 3.46Å; L325-F358 HydrophobicContact CD2-CE2 4.16Å; L325-F358 HydrophobicContact CD2-CG 3.73Å; L325-F358 HydrophobicContact CD2-CZ 3.85Å; L325-T403 VanDerWaalsContact CD1-O 3.25Å; L325-T403 WeakPolarHBondContact CD1-O 3.49Å
326	I	98.3	Very high	96.1	Very high	29 Å²	29	42.6 Å²	42.6	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-42.5	178.9	-67.3	165.6	0	0	0	110.1	S322 Y328 A329 L330 L345 F352	S322-I326 WeakPolarHBondContact O-CB 3.43Å; S322-I326 WeakPolarHBondContact O-CD1 3.37Å; S322-I326 WeakPolarHBondContact O-CG1 3.31Å; S322-I326 PolarHBondContact O-N 2.78Å; I326-Y328 VanDerWaalsContact C-N 3.31Å; I326-Y328 PolarHBondContact O-N 3.06Å; I326-A329 PolarHBondContact O-N 3.18Å; I326-L330 HydrophobicContact CG2-CD1 4.08Å; I326-L330 HydrophobicContact CG2-CG 4.46Å; I326-L330 WeakPolarHBondContact O-CG 3.48Å; I326-L330 PolarHBondContact O-N 3.47Å; I326-L345 HydrophobicContact CG2-CD2 4.19Å; I326-F352 HydrophobicContact CD1-CE2 4.39Å; I326-F352 HydrophobicContact CD1-CZ 4.49Å; I326-F352 HydrophobicContact CG1-CE2 4.09Å; I326-F352 HydrophobicContact CG1-CZ 4.3Å
327	T	98.1	Very high	96.5	Very high	31 Å²	31	49.4 Å²	49.4	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-44.9	175.9	-59.8	0	0	0	0	110.9	K323 E324 G331 L493	K323-T327 VanDerWaalsContact O-CB 3.27Å; K323-T327 WeakPolarHBondContact O-CB 3.14Å; K323-T327 PolarHBondContact O-N 2.91Å; K323-T327 PolarHBondContact O-OG1 3.25Å; E324-T327 PolarHBondContact O-N 3.19Å; T327-G331 PolarHBondContact O-N 2.83Å; T327-L493 HydrophobicContact CG2-CB 3.83Å
328	Y	98.4	Very high	96.7	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-47.3	175.5	177.8	-96.4	0	0	0	112.1	E324 L325 I326 L330 G331 I332 I355 T357 F358 L361 Y491 S494	E324-Y328 WeakPolarHBondContact O-CB 3.48Å; E324-Y328 PolarHBondContact O-N 2.92Å; L325-Y328 PolarHBondContact O-N 3.35Å; I326-Y328 VanDerWaalsContact C-N 3.31Å; I326-Y328 PolarHBondContact O-N 3.06Å; Y328-L330 PolarHBondContact O-N 3.01Å; Y328-G331 CarbonylContact O-C 3.45Å; Y328-G331 WeakPolarHBondContact O-CA 3.48Å; Y328-G331 PolarHBondContact O-N 3.14Å; Y328-I332 HydrophobicContact CD1-CD1 4.21Å; Y328-I332 HydrophobicContact CE1-CD1 3.55Å; Y328-I332 HydrophobicContact CE1-CG1 4.22Å; Y328-I332 HydrophobicContact CE1-CG2 4.36Å; Y328-I332 HydrophobicContact CE2-CG2 4.24Å; Y328-I332 WeakPolarHBondContact O-CG1 3.48Å; Y328-I332 PolarHBondContact O-N 3.03Å; Y328-I355 HydrophobicContact CE1-CB 4.26Å; Y328-I355 HydrophobicContact CE1-CG2 4.37Å; Y328-T357 WeakPolarHBondContact OH-CB 3.28Å; Y328-T357 PolarHBondContact OH-O 3.17Å; Y328-T357 PolarHBondContact OH-OG1 3.04Å; Y328-F358 HydrophobicContact CD1-CB 3.73Å; Y328-F358 HydrophobicContact CD1-CD2 4.11Å; Y328-F358 HydrophobicContact CD1-CG 4.42Å; Y328-F358 AromaticContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CE1-CB 3.89Å; Y328-F358 HydrophobicContact CG-CB 4.09Å; Y328-F358 AromaticContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CG 4.35Å; Y328-L361 HydrophobicContact CD2-CD1 4.07Å; Y328-L361 HydrophobicContact CE2-CD1 4.44Å; Y328-Y491 HydrophobicContact CD2-CE2 4.08Å; Y328-Y491 AromaticContact CE2-CE2 3.63Å; Y328-Y491 HydrophobicContact CE2-CE2 3.63Å; Y328-S494 WeakPolarHBondContact CA-OG 3.37Å
329	A	98.3	Very high	96.8	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-46.8	179.5	0	0	0	0	0	111.7	L325 I326 G331 I332 G333 A334 F344 L345 I355	L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.43Å; I326-A329 PolarHBondContact O-N 3.18Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 3.04Å; A329-I332 CarbonylContact O-C 3.44Å; A329-I332 WeakPolarHBondContact O-CG1 3.42Å; A329-I332 PolarHBondContact O-N 3.01Å; A329-G333 PolarHBondContact O-N 3.13Å; A329-A334 HydrophobicContact CB-CB 3.91Å; A329-A334 WeakPolarHBondContact O-CB 3.24Å; A329-A334 PolarHBondContact O-N 3.1Å; A329-F344 HydrophobicContact CB-CB 3.93Å; A329-L345 HydrophobicContact CB-CD2 4.03Å; A329-I355 HydrophobicContact CB-CD1 3.83Å
330	L	98	Very high	96.7	Very high	69 Å²	69	50.7 Å²	50.7	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-42.1	172.7	-68.9	170.3	0	0	0	111.6	I326 Y328 I332 G333 L345 Q487 L490	I326-L330 HydrophobicContact CG2-CD1 4.08Å; I326-L330 HydrophobicContact CG2-CG 4.46Å; I326-L330 WeakPolarHBondContact O-CG 3.48Å; I326-L330 PolarHBondContact O-N 3.47Å; Y328-L330 PolarHBondContact O-N 3.01Å; L330-I332 PolarHBondContact O-N 3.31Å; L330-G333 PolarHBondContact O-N 3.48Å; L330-L345 HydrophobicContact CD2-CD1 4.38Å; L330-L345 HydrophobicContact CD2-CD2 3.6Å; L330-L345 HydrophobicContact CG-CD2 3.66Å; L330-Q487 PolarHBondContact O-NE2 2.83Å; L330-L490 HydrophobicContact CB-CD2 4.12Å
331	G	98	Very high	96.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-22.5	176.7	0	0	0	0	0	114.6	T327 Y328 A329 Q487 C521	T327-G331 PolarHBondContact O-N 2.83Å; Y328-G331 CarbonylContact O-C 3.45Å; Y328-G331 WeakPolarHBondContact O-CA 3.48Å; Y328-G331 PolarHBondContact O-N 3.14Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 3.04Å; G331-Q487 VanDerWaalsContact C-NE2 3.32Å; G331-Q487 PolarHBondContact O-NE2 3.2Å; G331-C521 PolarHBondContact O-SG 3.09Å
332	I	98.1	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	23.9	173.9	66.2	166.7	0	0	0	112.7	Y328 A329 L330 I355 Y491 F525 R528	Y328-I332 HydrophobicContact CD1-CD1 4.21Å; Y328-I332 HydrophobicContact CE1-CD1 3.55Å; Y328-I332 HydrophobicContact CE1-CG1 4.22Å; Y328-I332 HydrophobicContact CE1-CG2 4.36Å; Y328-I332 HydrophobicContact CE2-CG2 4.24Å; Y328-I332 WeakPolarHBondContact O-CG1 3.48Å; Y328-I332 PolarHBondContact O-N 3.03Å; A329-I332 CarbonylContact O-C 3.44Å; A329-I332 WeakPolarHBondContact O-CG1 3.42Å; A329-I332 PolarHBondContact O-N 3.01Å; L330-I332 PolarHBondContact O-N 3.31Å; I332-I355 HydrophobicContact CD1-CB 4.41Å; I332-I355 HydrophobicContact CD1-CD1 3.74Å; I332-I355 HydrophobicContact CD1-CG2 3.89Å; I332-I355 HydrophobicContact CG1-CD1 4.28Å; I332-Y491 HydrophobicContact CG2-CD2 3.71Å; I332-Y491 HydrophobicContact CG2-CE2 3.53Å; I332-F525 WeakPolarHBondContact O-CE1 3.36Å; I332-R528 HydrophobicContact CD1-CG 3.99Å; I332-R528 PolarHBondContact O-NH1 3.41Å
333	G	97	Very high	96.6	Very high	21 Å²	21	50.3 Å²	50.3	22%	0.216	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	18.9	168.2	0	0	0	0	0	115.6	A329 L330 R528	A329-G333 PolarHBondContact O-N 3.13Å; L330-G333 PolarHBondContact O-N 3.48Å; G333-R528 PolarHBondContact O-NH1 2.82Å
334	A	97.2	Very high	96.6	Very high	6 Å²	6	43.8 Å²	43.8	5%	0.05	24%	0.239	C	C	.	.			trans	-59.8	138.6	165.7	0	0	0	0	0	109	A329 D341 L345	A329-A334 HydrophobicContact CB-CB 3.91Å; A329-A334 WeakPolarHBondContact O-CB 3.24Å; A329-A334 PolarHBondContact O-N 3.1Å; A334-D341 HydrophobicContact CB-CB 4.24Å; A334-L345 HydrophobicContact CB-CD1 4.24Å; A334-L345 HydrophobicContact CB-CD2 3.96Å; A334-L345 HydrophobicContact CB-CG 4.19Å
335	S	95.8	Very high	96.6	Very high	42 Å²	42	42.2 Å²	42.2	29%	0.294	23%	0.232	S	C	.	.			trans	-140.9	138.6	-172.9	-173.2	0	0	0	0	111.7	K337 N338 D341	S335-K337 PolarHBondContact O-N 3.14Å; S335-K337 PolarHBondContact OG-N 3.04Å; S335-N338 PolarHBondContact O-N 2.84Å; S335-D341 PolarHBondContact N-OD2 3.18Å
336	V	95.2	Very high	96.6	Very high	108 Å²	108	46.9 Å²	46.9	66%	0.655	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.3	170.3	-60.7	0	0	0	0	113.3	N338 M342 L345	V336-N338 PolarHBondContact O-N 3.49Å; V336-M342 HydrophobicContact CG1-SD 4.32Å; V336-L345 HydrophobicContact CG1-CD1 4.14Å
337	K	94.4	Very high	96.6	Very high	196 Å²	196	49.9 Å²	49.9	85%	0.852	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-25	172.4	-68.8	-175.9	177.5	178.8	0	112.7	S335	S335-K337 PolarHBondContact O-N 3.14Å; S335-K337 PolarHBondContact OG-N 3.04Å
338	N	92.5	Very high	96.5	Very high	61 Å²	61	53.6 Å²	53.6	33%	0.326	28%	0.282	S	S	.	.	S	Bend	trans	-101.4	105.6	175.3	178.4	10.1	0	0	0	108.8	S335 V336 K340 D341	S335-N338 PolarHBondContact O-N 2.84Å; V336-N338 PolarHBondContact O-N 3.49Å; N338-K340 PolarHBondContact O-N 2.85Å; N338-K340 PolarHBondContact OD1-N 2.88Å; N338-D341 HydrophobicContact CB-CB 4.3Å; N338-D341 WeakPolarHBondContact CB-OD2 3.44Å; N338-D341 VanDerWaalsContact ND2-CG 3.29Å; N338-D341 PolarHBondContact ND2-OD1 2.65Å; N338-D341 PolarHBondContact ND2-OD2 2.83Å; N338-D341 WeakPolarHBondContact O-CB 3.2Å; N338-D341 PolarHBondContact O-N 2.58Å
339	A	93.1	Very high	96.4	Very high	83 Å²	83	55.7 Å²	55.7	69%	0.686	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-54.8	-30.7	-178.6	0	0	0	0	0	113.1	D341 M342	A339-D341 PolarHBondContact O-N 2.83Å; A339-M342 WeakPolarHBondContact O-CB 3.42Å; A339-M342 WeakPolarHBondContact O-CG 3.38Å; A339-M342 PolarHBondContact O-N 3.32Å
340	K	93.7	Very high	96.2	Very high	104 Å²	104	60.6 Å²	60.6	45%	0.452	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-74.8	-8.9	177.5	-63.3	-169.3	178.8	-173.7	0	114.2	N338 D536 N537	N338-K340 PolarHBondContact O-N 2.85Å; N338-K340 PolarHBondContact OD1-N 2.88Å; K340-D536 IonicContact NZ-OD1 3.87Å; K340-D536 PolarHBondContact NZ-OD1 3.38Å; K340-N537 HydrophobicContact CB-CB 4.41Å; K340-N537 VanDerWaalsContact CB-ND2 3.34Å; K340-N537 WeakPolarHBondContact CB-ND2 3.46Å; K340-N537 PolarHBondContact O-ND2 2.74Å; K340-N537 VanDerWaalsContact O-ND2 3.09Å
341	D	96.1	Very high	96.1	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.011	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-85.9	-10.7	173	-71.4	-22.6	0	0	0	112.1	A334 S335 N338 A339 R343 F344 L345 R528	A334-D341 HydrophobicContact CB-CB 4.24Å; S335-D341 PolarHBondContact N-OD2 3.18Å; N338-D341 HydrophobicContact CB-CB 4.3Å; N338-D341 WeakPolarHBondContact CB-OD2 3.44Å; N338-D341 VanDerWaalsContact ND2-CG 3.29Å; N338-D341 PolarHBondContact ND2-OD1 2.65Å; N338-D341 PolarHBondContact ND2-OD2 2.83Å; N338-D341 WeakPolarHBondContact O-CB 3.2Å; N338-D341 PolarHBondContact O-N 2.58Å; A339-D341 PolarHBondContact O-N 2.83Å; D341-R343 PolarHBondContact O-N 3.07Å; D341-F344 WeakPolarHBondContact O-CB 3.18Å; D341-F344 PolarHBondContact O-N 3.08Å; D341-L345 HydrophobicContact CB-CD1 4.31Å; D341-L345 PolarHBondContact O-N 2.91Å; D341-R528 IonicContact OD1-CZ 3.3Å; D341-R528 IonicContact OD1-NE 2.83Å; D341-R528 IonicContact OD1-NH2 2.88Å; D341-R528 PolarHBondContact OD1-NH2 3.07Å; D341-R528 IonicContact OD2-CZ 2.87Å; D341-R528 IonicContact OD2-NH2 3.31Å; D341-R528 PolarHBondContact OD2-NH2 2.98Å
342	M	96.2	Very high	96.1	Very high	59 Å²	59	63.7 Å²	63.7	29%	0.291	35%	0.349	S	S	.	.	H	α-helix	trans	-57.8	-36.1	-176.6	-73.1	-54.6	-53.3	0	0	113.2	V336 A339 F344 L345 Y346	V336-M342 HydrophobicContact CG1-SD 4.32Å; A339-M342 WeakPolarHBondContact O-CB 3.42Å; A339-M342 WeakPolarHBondContact O-CG 3.38Å; A339-M342 PolarHBondContact O-N 3.32Å; M342-F344 PolarHBondContact O-N 3.22Å; M342-L345 PolarHBondContact O-N 3.31Å; M342-Y346 HydrophobicContact CE-CG 4.48Å; M342-Y346 PolarHBondContact O-N 2.86Å
343	R	96.9	Very high	96	Very high	41 Å²	41	64.7 Å²	64.7	16%	0.155	36%	0.357	C	S	.	.	H	α-helix	trans	-58.8	-14.3	172.6	67.2	172.6	58.4	149.9	1.8	115.3	D341 D351 F352 A353 D536 N537	D341-R343 PolarHBondContact O-N 3.07Å; R343-D351 HydrophobicContact CB-CB 4.27Å; R343-F352 VanDerWaalsContact O-CA 3.3Å; R343-F352 WeakPolarHBondContact O-CA 3.43Å; R343-F352 VanDerWaalsContact O-CD2 3.29Å; R343-F352 WeakPolarHBondContact O-CD2 3.4Å; R343-A353 PolarHBondContact O-N 3.24Å; R343-D536 PolarHBondContact NH1-O 2.94Å; R343-N537 WeakPolarHBondContact CD-O 3.12Å; R343-N537 PolarHBondContact NH1-O 2.93Å
344	F	98.1	Very high	96.1	Very high	2 Å²	2	64 Å²	64	1%	0.009	35%	0.349	C	S	.	.	H	α-helix	trans	-106.1	-10.1	175.7	-51.7	-55.1	0	0	0	112.7	A329 D341 M342 A353 I355 N537 P539	A329-F344 HydrophobicContact CB-CB 3.93Å; D341-F344 WeakPolarHBondContact O-CB 3.18Å; D341-F344 PolarHBondContact O-N 3.08Å; M342-F344 PolarHBondContact O-N 3.22Å; F344-A353 WeakPolarHBondContact CD1-O 3.15Å; F344-I355 HydrophobicContact CB-CD1 4.14Å; F344-I355 HydrophobicContact CB-CG1 4.17Å; F344-I355 HydrophobicContact CD1-CD1 4.25Å; F344-I355 HydrophobicContact CD1-CG1 3.49Å; F344-I355 VanDerWaalsContact CD1-CG1 3.49Å; F344-I355 HydrophobicContact CD2-CD1 3.98Å; F344-I355 HydrophobicContact CD2-CG1 4.05Å; F344-I355 HydrophobicContact CE1-CG1 3.77Å; F344-I355 HydrophobicContact CE2-CD1 4.43Å; F344-I355 HydrophobicContact CE2-CG1 4.29Å; F344-I355 HydrophobicContact CG-CD1 3.87Å; F344-I355 HydrophobicContact CG-CG1 3.65Å; F344-I355 HydrophobicContact CZ-CG1 4.15Å; F344-N537 HydrophobicContact CE2-CB 4.27Å; F344-N537 HydrophobicContact CZ-CB 4.42Å; F344-N537 VanDerWaalsContact CZ-O 3.3Å; F344-N537 WeakPolarHBondContact CZ-O 3.32Å; F344-P539 HydrophobicContact CE1-CB 4.36Å; F344-P539 HydrophobicContact CE1-CG 4.02Å
345	L	98	Very high	96.1	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-117.5	-10.8	-170.1	-65.1	-178.9	0	0	0	113.6	I326 A329 L330 A334 V336 D341 M342	I326-L345 HydrophobicContact CG2-CD2 4.19Å; A329-L345 HydrophobicContact CB-CD2 4.03Å; L330-L345 HydrophobicContact CD2-CD1 4.38Å; L330-L345 HydrophobicContact CD2-CD2 3.6Å; L330-L345 HydrophobicContact CG-CD2 3.66Å; A334-L345 HydrophobicContact CB-CD1 4.24Å; A334-L345 HydrophobicContact CB-CD2 3.96Å; A334-L345 HydrophobicContact CB-CG 4.19Å; V336-L345 HydrophobicContact CG1-CD1 4.14Å; D341-L345 HydrophobicContact CB-CD1 4.31Å; D341-L345 PolarHBondContact O-N 2.91Å; M342-L345 PolarHBondContact O-N 3.31Å
346	Y	97.8	Very high	96.2	Very high	106 Å²	106	61.9 Å²	61.9	42%	0.416	33%	0.334	S	S	.	.			trans	-134.3	112.8	-177	-177.1	-137	0	0	0	111.3	M342 N348 D349 F352	M342-Y346 HydrophobicContact CE-CG 4.48Å; M342-Y346 PolarHBondContact O-N 2.86Å; Y346-N348 HydrophobicContact CD1-CB 4.44Å; Y346-N348 HydrophobicContact CE1-CB 3.8Å; Y346-N348 HydrophobicContact CE2-CB 3.94Å; Y346-N348 WeakPolarHBondContact CE2-ND2 3.23Å; Y346-N348 PolarHBondContact O-N 3.09Å; Y346-D349 HydrophobicContact CD1-CB 4.06Å; Y346-D349 VanDerWaalsContact CD1-N 3.35Å; Y346-D349 WeakPolarHBondContact O-CB 3.43Å; Y346-D349 PolarHBondContact O-N 3.01Å; Y346-F352 WeakPolarHBondContact O-CD2 3.39Å
347	E	96.8	Very high	96.4	Very high	92 Å²	92	56.8 Å²	56.8	43%	0.43	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.1	-176.3	68.1	-81	-171.1	0	0	114.5	F352	E347-F352 HydrophobicContact CB-CD1 4.33Å; E347-F352 HydrophobicContact CB-CE1 4.16Å; E347-F352 HydrophobicContact CB-CZ 4.28Å
348	N	97.1	Very high	96.5	Very high	109 Å²	109	47.5 Å²	47.5	58%	0.583	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	7.8	172.6	-48.4	-73.3	0	0	0	113	Y346	Y346-N348 HydrophobicContact CD1-CB 4.44Å; Y346-N348 HydrophobicContact CE1-CB 3.8Å; Y346-N348 HydrophobicContact CE2-CB 3.94Å; Y346-N348 WeakPolarHBondContact CE2-ND2 3.23Å; Y346-N348 PolarHBondContact O-N 3.09Å
349	D	95.9	Very high	96.8	Very high	46 Å²	46	44.6 Å²	44.6	25%	0.246	25%	0.247	C	C	.	.	S	Bend	trans	-61.8	136.3	166	-166.4	-68.8	0	0	0	108.6	Y346 D351 F352	Y346-D349 HydrophobicContact CD1-CB 4.06Å; Y346-D349 VanDerWaalsContact CD1-N 3.35Å; Y346-D349 WeakPolarHBondContact O-CB 3.43Å; Y346-D349 PolarHBondContact O-N 3.01Å; D349-D351 PolarHBondContact O-N 3.47Å; D349-D351 VanDerWaalsContact O-N 3.16Å; D349-D351 PolarHBondContact OD1-N 2.81Å; D349-F352 HydrophobicContact CB-CB 4.33Å; D349-F352 WeakPolarHBondContact O-CB 3.5Å; D349-F352 PolarHBondContact O-N 2.87Å
350	A	95.3	Very high	97	Very high	104 Å²	104	40.8 Å²	40.8	86%	0.86	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.6	-177.8	0	0	0	0	0	112.4
351	D	95.3	Very high	97	Very high	104 Å²	104	36 Å²	36	56%	0.556	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	21.4	177.4	-61.3	-38.3	0	0	0	111.9	R343 D349 A353	R343-D351 HydrophobicContact CB-CB 4.27Å; D349-D351 PolarHBondContact O-N 3.47Å; D349-D351 VanDerWaalsContact O-N 3.16Å; D349-D351 PolarHBondContact OD1-N 2.81Å; D351-A353 PolarHBondContact O-N 3.1Å
352	F	97.5	Very high	96.9	Very high	30 Å²	30	36 Å²	36	13%	0.132	20%	0.195	C	C	.	.			trans	-53.7	124.3	-177.4	179.7	-116	0	0	0	111.5	L325 I326 R343 Y346 E347 D349 T403	L325-F352 HydrophobicContact CB-CZ 4.35Å; L325-F352 HydrophobicContact CD1-CE1 4.25Å; L325-F352 HydrophobicContact CD1-CZ 4.14Å; I326-F352 HydrophobicContact CD1-CE2 4.39Å; I326-F352 HydrophobicContact CD1-CZ 4.49Å; I326-F352 HydrophobicContact CG1-CE2 4.09Å; I326-F352 HydrophobicContact CG1-CZ 4.3Å; R343-F352 VanDerWaalsContact O-CA 3.3Å; R343-F352 WeakPolarHBondContact O-CA 3.43Å; R343-F352 VanDerWaalsContact O-CD2 3.29Å; R343-F352 WeakPolarHBondContact O-CD2 3.4Å; Y346-F352 WeakPolarHBondContact O-CD2 3.39Å; E347-F352 HydrophobicContact CB-CD1 4.33Å; E347-F352 HydrophobicContact CB-CE1 4.16Å; E347-F352 HydrophobicContact CB-CZ 4.28Å; D349-F352 HydrophobicContact CB-CB 4.33Å; D349-F352 WeakPolarHBondContact O-CB 3.5Å; D349-F352 PolarHBondContact O-N 2.87Å; F352-T403 HydrophobicContact CD1-CG2 3.77Å; F352-T403 HydrophobicContact CE1-CG2 3.94Å
353	A	97.2	Very high	96.7	Very high	21 Å²	21	33.5 Å²	33.5	17%	0.174	18%	0.184	C	C	.	.			trans	-149.3	158.1	-174.9	0	0	0	0	0	111.8	R343 F344 D351 P539	R343-A353 PolarHBondContact O-N 3.24Å; F344-A353 WeakPolarHBondContact CD1-O 3.15Å; D351-A353 PolarHBondContact O-N 3.1Å; A353-P539 HydrophobicContact CB-CG 3.52Å
354	A	97.5	Very high	96.3	Very high	6 Å²	6	32 Å²	32	5%	0.05	18%	0.179	C	C	.	.			trans	-78.6	144.3	171.1	0	0	0	0	0	111.1	L325 F359 P539	L325-A354 HydrophobicContact CD1-CB 3.91Å; L325-A354 HydrophobicContact CD2-CB 3.64Å; L325-A354 HydrophobicContact CG-CB 4.36Å; A354-F359 HydrophobicContact CB-CE2 3.58Å; A354-F359 HydrophobicContact CB-CZ 4.08Å; A354-P539 WeakPolarHBondContact O-CB 3.24Å
355	I	98	Very high	95.8	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.19	C	C	.	.			trans	-73.8	125	164.6	-60.8	176.4	0	0	0	107.6	Y328 A329 I332 F344 T357 F358 R528	Y328-I355 HydrophobicContact CE1-CB 4.26Å; Y328-I355 HydrophobicContact CE1-CG2 4.37Å; A329-I355 HydrophobicContact CB-CD1 3.83Å; I332-I355 HydrophobicContact CD1-CB 4.41Å; I332-I355 HydrophobicContact CD1-CD1 3.74Å; I332-I355 HydrophobicContact CD1-CG2 3.89Å; I332-I355 HydrophobicContact CG1-CD1 4.28Å; F344-I355 HydrophobicContact CB-CD1 4.14Å; F344-I355 HydrophobicContact CB-CG1 4.17Å; F344-I355 HydrophobicContact CD1-CD1 4.25Å; F344-I355 HydrophobicContact CD1-CG1 3.49Å; F344-I355 VanDerWaalsContact CD1-CG1 3.49Å; F344-I355 HydrophobicContact CD2-CD1 3.98Å; F344-I355 HydrophobicContact CD2-CG1 4.05Å; F344-I355 HydrophobicContact CE1-CG1 3.77Å; F344-I355 HydrophobicContact CE2-CD1 4.43Å; F344-I355 HydrophobicContact CE2-CG1 4.29Å; F344-I355 HydrophobicContact CG-CD1 3.87Å; F344-I355 HydrophobicContact CG-CG1 3.65Å; F344-I355 HydrophobicContact CZ-CG1 4.15Å; I355-T357 PolarHBondContact O-N 3.14Å; I355-F358 VanDerWaalsContact O-CB 3.24Å; I355-F358 WeakPolarHBondContact O-CB 3.38Å; I355-F358 PolarHBondContact O-N 3.07Å; I355-R528 HydrophobicContact CD1-CG 4.19Å
356	P	98.1	Very high	95.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-52.7	-36.2	-169.7	-31.7	36.1	0	0	0	115	F358 F359 L395 I397 L401 P539 F542	P356-F358 PolarHBondContact O-N 3.36Å; P356-F358 VanDerWaalsContact O-N 3.12Å; P356-F359 WeakPolarHBondContact O-CD2 3.38Å; P356-F359 PolarHBondContact O-N 3.16Å; P356-L395 VanDerWaalsContact O-CD2 3.3Å; P356-L395 WeakPolarHBondContact O-CD2 3.26Å; P356-I397 HydrophobicContact CB-CD1 4.31Å; P356-I397 HydrophobicContact CB-CG1 4.1Å; P356-L401 HydrophobicContact CB-CD1 4.38Å; P356-P539 HydrophobicContact CG-CB 3.96Å; P356-F542 HydrophobicContact CB-CB 4.3Å; P356-F542 HydrophobicContact CB-CD1 3.5Å; P356-F542 VanDerWaalsContact CB-CD1 3.5Å; P356-F542 HydrophobicContact CB-CD2 4.28Å; P356-F542 HydrophobicContact CB-CE1 3.76Å; P356-F542 HydrophobicContact CB-CE2 4.49Å; P356-F542 HydrophobicContact CB-CG 3.78Å; P356-F542 HydrophobicContact CB-CZ 4.24Å; P356-F542 HydrophobicContact CG-CB 3.65Å; P356-F542 HydrophobicContact CG-CD1 3.83Å; P356-F542 HydrophobicContact CG-CD2 4.24Å; P356-F542 HydrophobicContact CG-CG 3.65Å
357	T	98.1	Very high	94.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-65.7	-12.9	-178.9	51	0	0	0	0	114.4	Y328 I355 F359 V360 L395 L523 V527	Y328-T357 WeakPolarHBondContact OH-CB 3.28Å; Y328-T357 PolarHBondContact OH-O 3.17Å; Y328-T357 PolarHBondContact OH-OG1 3.04Å; I355-T357 PolarHBondContact O-N 3.14Å; T357-F359 PolarHBondContact O-N 3.15Å; T357-V360 PolarHBondContact O-N 2.88Å; T357-L395 HydrophobicContact CG2-CD2 4.43Å; T357-L523 HydrophobicContact CG2-CG 4.3Å; T357-V527 HydrophobicContact CG2-CB 3.89Å; T357-V527 HydrophobicContact CG2-CG1 4.03Å; T357-V527 HydrophobicContact CG2-CG2 3.58Å
358	F	98.1	Very high	93.4	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-54.2	-39.4	167.8	175.2	-103.2	0	0	0	111.3	F318 F320 E324 L325 Y328 I355 P356 V360 L361	F318-F358 AromaticContact CE1-CE1 3.78Å; F318-F358 HydrophobicContact CE1-CE1 3.78Å; F318-F358 AromaticContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CZ-CE1 4.33Å; F318-F358 HydrophobicContact CZ-CE2 4.43Å; F318-F358 AromaticContact CZ-CZ 3.79Å; F318-F358 HydrophobicContact CZ-CZ 3.79Å; F320-F358 HydrophobicContact CB-CE1 4.14Å; F320-F358 HydrophobicContact CB-CZ 3.86Å; F320-F358 HydrophobicContact CD1-CE1 4.48Å; F320-F358 AromaticContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CZ 4.08Å; F320-F358 HydrophobicContact CE2-CE1 4.19Å; F320-F358 AromaticContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CZ 4.08Å; E324-F358 HydrophobicContact CB-CE2 4.13Å; E324-F358 HydrophobicContact CB-CZ 4.04Å; L325-F358 HydrophobicContact CD2-CB 4.47Å; L325-F358 HydrophobicContact CD2-CD1 3.4Å; L325-F358 HydrophobicContact CD2-CD2 4.1Å; L325-F358 HydrophobicContact CD2-CE1 3.46Å; L325-F358 VanDerWaalsContact CD2-CE1 3.46Å; L325-F358 HydrophobicContact CD2-CE2 4.16Å; L325-F358 HydrophobicContact CD2-CG 3.73Å; L325-F358 HydrophobicContact CD2-CZ 3.85Å; Y328-F358 HydrophobicContact CD1-CB 3.73Å; Y328-F358 HydrophobicContact CD1-CD2 4.11Å; Y328-F358 HydrophobicContact CD1-CG 4.42Å; Y328-F358 AromaticContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CE1-CB 3.89Å; Y328-F358 HydrophobicContact CG-CB 4.09Å; Y328-F358 AromaticContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CG 4.35Å; I355-F358 VanDerWaalsContact O-CB 3.24Å; I355-F358 WeakPolarHBondContact O-CB 3.38Å; I355-F358 PolarHBondContact O-N 3.07Å; P356-F358 PolarHBondContact O-N 3.36Å; P356-F358 VanDerWaalsContact O-N 3.12Å; F358-V360 PolarHBondContact O-N 3.2Å; F358-L361 HydrophobicContact CD2-CD1 3.71Å; F358-L361 HydrophobicContact CE2-CD1 3.77Å; F358-L361 VanDerWaalsContact O-CB 3.32Å; F358-L361 WeakPolarHBondContact O-CB 3.46Å; F358-L361 VanDerWaalsContact O-CG 3.3Å; F358-L361 WeakPolarHBondContact O-CG 3.43Å; F358-L361 PolarHBondContact O-N 3.2Å
359	F	97.7	Very high	92.1	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-77.5	9.7	-175.1	-62.8	-84.2	0	0	0	114.5	F320 A354 P356 T357 L361 L395 L401 L407 V440 N442	F320-F359 HydrophobicContact CE1-CE1 4.23Å; F320-F359 HydrophobicContact CE2-CE1 4.29Å; F320-F359 HydrophobicContact CE2-CZ 4.18Å; F320-F359 AromaticContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CZ 4.01Å; A354-F359 HydrophobicContact CB-CE2 3.58Å; A354-F359 HydrophobicContact CB-CZ 4.08Å; P356-F359 WeakPolarHBondContact O-CD2 3.38Å; P356-F359 PolarHBondContact O-N 3.16Å; T357-F359 PolarHBondContact O-N 3.15Å; F359-L361 VanDerWaalsContact C-N 3.31Å; F359-L395 HydrophobicContact CB-CD1 4.38Å; F359-L401 HydrophobicContact CD1-CD2 4.25Å; F359-L401 HydrophobicContact CD2-CD1 3.71Å; F359-L401 HydrophobicContact CD2-CD2 3.72Å; F359-L401 HydrophobicContact CD2-CG 4.2Å; F359-L401 HydrophobicContact CE1-CD2 4.21Å; F359-L401 HydrophobicContact CE2-CB 3.82Å; F359-L401 HydrophobicContact CE2-CD1 3.6Å; F359-L401 HydrophobicContact CE2-CD2 3.67Å; F359-L401 HydrophobicContact CE2-CG 3.88Å; F359-L401 HydrophobicContact CG-CD2 4.02Å; F359-L401 HydrophobicContact CZ-CB 4Å; F359-L401 HydrophobicContact CZ-CD2 3.92Å; F359-L401 HydrophobicContact CZ-CG 4.36Å; F359-L407 HydrophobicContact CD1-CD1 3.65Å; F359-L407 HydrophobicContact CE1-CD1 3.77Å; F359-V440 HydrophobicContact CB-CG1 4.07Å; F359-V440 HydrophobicContact CB-CG2 3.82Å; F359-V440 HydrophobicContact CD1-CG2 4.22Å; F359-V440 HydrophobicContact CG-CG2 4.1Å; F359-N442 PolarHBondContact O-ND2 3.32Å
360	V	97	Very high	90.4	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-71.1	-32.1	159.8	176.4	0	0	0	0	110.9	T357 F358 G363 L364 Q393 L395 L520	T357-V360 PolarHBondContact O-N 2.88Å; F358-V360 PolarHBondContact O-N 3.2Å; V360-G363 PolarHBondContact O-N 3.43Å; V360-L364 HydrophobicContact CG1-CB 4.42Å; V360-L364 WeakPolarHBondContact O-CB 3.47Å; V360-L364 PolarHBondContact O-N 3.37Å; V360-Q393 HydrophobicContact CG1-CG 4.13Å; V360-Q393 HydrophobicContact CG2-CG 4.13Å; V360-L395 HydrophobicContact CG2-CB 4.03Å; V360-L395 HydrophobicContact CG2-CD1 4.21Å; V360-L395 HydrophobicContact CG2-CD2 4Å; V360-L395 HydrophobicContact CG2-CG 4.31Å; V360-L520 HydrophobicContact CG1-CD1 4.12Å; V360-L520 HydrophobicContact CG1-CD2 3.94Å
361	L	94.8	Very high	88.8	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-44.2	-170.7	-67.3	169.5	0	0	0	114.5	F318 Y328 F358 F359 G363 L364 L365 S494	F318-L361 HydrophobicContact CE2-CB 4.33Å; F318-L361 HydrophobicContact CZ-CB 4.22Å; Y328-L361 HydrophobicContact CD2-CD1 4.07Å; Y328-L361 HydrophobicContact CE2-CD1 4.44Å; F358-L361 HydrophobicContact CD2-CD1 3.71Å; F358-L361 HydrophobicContact CE2-CD1 3.77Å; F358-L361 VanDerWaalsContact O-CB 3.32Å; F358-L361 WeakPolarHBondContact O-CB 3.46Å; F358-L361 VanDerWaalsContact O-CG 3.3Å; F358-L361 WeakPolarHBondContact O-CG 3.43Å; F358-L361 PolarHBondContact O-N 3.2Å; F359-L361 VanDerWaalsContact C-N 3.31Å; L361-G363 VanDerWaalsContact C-N 3.33Å; L361-G363 PolarHBondContact O-N 3.01Å; L361-L364 HydrophobicContact CD2-CD2 4.43Å; L361-L364 PolarHBondContact O-N 3.41Å; L361-L365 WeakPolarHBondContact O-CB 3.26Å; L361-L365 VanDerWaalsContact O-CG 3.28Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.32Å; L361-S494 WeakPolarHBondContact CD1-O 3.2Å
362	P	93.8	Very high	87	Confident	4 Å²	4	27.9 Å²	27.9	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-46.7	179.4	-22.4	31.5	0	0	0	112.2	F318 L366 L407 T409	F318-P362 HydrophobicContact CB-CB 3.92Å; F318-P362 HydrophobicContact CB-CG 4.18Å; F318-P362 HydrophobicContact CD1-CB 4.32Å; F318-P362 HydrophobicContact CD1-CG 3.65Å; F318-P362 HydrophobicContact CD2-CB 4.49Å; F318-P362 HydrophobicContact CD2-CG 4.4Å; F318-P362 HydrophobicContact CE1-CG 4.06Å; F318-P362 HydrophobicContact CG-CB 4Å; F318-P362 HydrophobicContact CG-CG 3.81Å; P362-L366 VanDerWaalsContact O-CB 3.24Å; P362-L366 WeakPolarHBondContact O-CB 3.27Å; P362-L366 PolarHBondContact O-N 3.12Å; P362-L366 VanDerWaalsContact O-N 3.07Å; P362-L407 HydrophobicContact CG-CD1 4.12Å; P362-T409 HydrophobicContact CB-CG2 4.28Å; P362-T409 VanDerWaalsContact CB-OG1 3.23Å; P362-T409 WeakPolarHBondContact CB-OG1 3.25Å
363	G	92.3	Very high	85.5	Confident	5 Å²	5	26.9 Å²	26.9	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-40.9	178.2	0	0	0	0	0	113.3	V360 L361 Q367 S429	V360-G363 PolarHBondContact O-N 3.43Å; L361-G363 VanDerWaalsContact C-N 3.33Å; L361-G363 PolarHBondContact O-N 3.01Å; G363-Q367 WeakPolarHBondContact O-CB 3.4Å; G363-Q367 PolarHBondContact O-N 2.97Å; G363-Q367 VanDerWaalsContact O-N 3.08Å; G363-S429 VanDerWaalsContact CA-OG 3.23Å; G363-S429 WeakPolarHBondContact CA-OG 3.4Å
364	L	88.7	Confident	84.2	Confident	10 Å²	10	26.6 Å²	26.6	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-49.9	176.9	179.4	74	0	0	0	112	V360 L361 L366 Q367 M368 L520	V360-L364 HydrophobicContact CG1-CB 4.42Å; V360-L364 WeakPolarHBondContact O-CB 3.47Å; V360-L364 PolarHBondContact O-N 3.37Å; L361-L364 HydrophobicContact CD2-CD2 4.43Å; L361-L364 PolarHBondContact O-N 3.41Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.8Å; L364-Q367 WeakPolarHBondContact O-CB 3.44Å; L364-Q367 PolarHBondContact O-N 2.89Å; L364-Q367 VanDerWaalsContact O-N 3.16Å; L364-M368 HydrophobicContact CD1-CG 4.44Å; L364-M368 HydrophobicContact CD1-SD 4.21Å; L364-M368 HydrophobicContact CD2-SD 4.22Å; L364-M368 HydrophobicContact CG-CG 4.4Å; L364-M368 HydrophobicContact CG-SD 3.88Å; L364-M368 WeakPolarHBondContact O-CG 3.49Å; L364-M368 PolarHBondContact O-N 2.86Å; L364-L520 HydrophobicContact CD1-CD1 4.27Å; L364-L520 HydrophobicContact CD2-CD1 3.38Å; L364-L520 HydrophobicContact CG-CD1 4.35Å
365	L	87.7	Confident	82.8	Confident	48 Å²	48	28.2 Å²	28.2	25%	0.251	15%	0.154	S	C	.	.	H	α-helix	trans	-65.1	-39.7	-177.9	-69.4	177.4	0	0	0	111.1	F318 L361 Q367 M368 S369	F318-L365 HydrophobicContact CD2-CD1 3.95Å; F318-L365 HydrophobicContact CE2-CD1 3.65Å; L361-L365 WeakPolarHBondContact O-CB 3.26Å; L361-L365 VanDerWaalsContact O-CG 3.28Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.32Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.03Å; L365-M368 PolarHBondContact O-N 2.96Å; L365-S369 VanDerWaalsContact O-CB 3.28Å; L365-S369 WeakPolarHBondContact O-CB 3.38Å; L365-S369 PolarHBondContact O-N 3.06Å; L365-S369 PolarHBondContact O-OG 3.32Å
366	L	85.8	Confident	81.4	Confident	7 Å²	7	34.2 Å²	34.2	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-50.2	171.6	179.9	61.9	0	0	0	110.6	I314 D316 P362 L364 M368 S369 T370 T409	I314-L366 HydrophobicContact CB-CD1 4.05Å; I314-L366 HydrophobicContact CD1-CD1 3.74Å; I314-L366 HydrophobicContact CD1-CD2 4.35Å; I314-L366 HydrophobicContact CD1-CG 3.59Å; I314-L366 HydrophobicContact CG1-CD1 3.79Å; I314-L366 HydrophobicContact CG1-CD2 4.07Å; I314-L366 HydrophobicContact CG1-CG 3.79Å; D316-L366 HydrophobicContact CB-CD1 3.81Å; P362-L366 VanDerWaalsContact O-CB 3.24Å; P362-L366 WeakPolarHBondContact O-CB 3.27Å; P362-L366 PolarHBondContact O-N 3.12Å; P362-L366 VanDerWaalsContact O-N 3.07Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.8Å; L366-M368 PolarHBondContact O-N 3.45Å; L366-S369 PolarHBondContact O-N 3.28Å; L366-S369 PolarHBondContact O-OG 3.09Å; L366-T370 PolarHBondContact O-OG1 2.72Å; L366-T370 VanDerWaalsContact O-OG1 3.11Å; L366-T409 HydrophobicContact CD2-CG2 3.8Å; L366-T409 WeakPolarHBondContact CD2-O 3.49Å
367	Q	80.1	Confident	80.1	Confident	15 Å²	15	35.3 Å²	35.3	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-44.8	177.2	-175.2	-173.8	-6.8	0	0	112.8	G363 L364 L365 T370 L373 T427 S444 T446	G363-Q367 WeakPolarHBondContact O-CB 3.4Å; G363-Q367 PolarHBondContact O-N 2.97Å; G363-Q367 VanDerWaalsContact O-N 3.08Å; L364-Q367 WeakPolarHBondContact O-CB 3.44Å; L364-Q367 PolarHBondContact O-N 2.89Å; L364-Q367 VanDerWaalsContact O-N 3.16Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.03Å; Q367-T370 PolarHBondContact O-OG1 2.7Å; Q367-L373 HydrophobicContact CG-CD2 4.44Å; Q367-T427 HydrophobicContact CG-CG2 4.48Å; Q367-T427 PolarHBondContact OE1-OG1 3.19Å; Q367-S444 PolarHBondContact OE1-OG 2.78Å; Q367-T446 PolarHBondContact NE2-OG1 3.06Å
368	M	75.9	Confident	79.1	Confident	90 Å²	90	35.7 Å²	35.7	44%	0.443	19%	0.191	S	C	.	.	H	α-helix	trans	-70.8	-30.1	-177.9	-70.1	178.3	75.2	0	0	113.4	L364 L365 L366 T370 N498	L364-M368 HydrophobicContact CD1-CG 4.44Å; L364-M368 HydrophobicContact CD1-SD 4.21Å; L364-M368 HydrophobicContact CD2-SD 4.22Å; L364-M368 HydrophobicContact CG-CG 4.4Å; L364-M368 HydrophobicContact CG-SD 3.88Å; L364-M368 WeakPolarHBondContact O-CG 3.49Å; L364-M368 PolarHBondContact O-N 2.86Å; L365-M368 PolarHBondContact O-N 2.96Å; L366-M368 PolarHBondContact O-N 3.45Å; M368-T370 PolarHBondContact O-N 3.45Å; M368-N498 HydrophobicContact CE-CB 4.37Å
369	S	69.2	Low	77.6	Confident	76 Å²	76	40 Å²	40	53%	0.531	22%	0.22	S	C	.	.	H	α-helix	trans	-76.4	-9.4	-179	69.4	0	0	0	0	113.7	L365 L366	L365-S369 VanDerWaalsContact O-CB 3.28Å; L365-S369 WeakPolarHBondContact O-CB 3.38Å; L365-S369 PolarHBondContact O-N 3.06Å; L365-S369 PolarHBondContact O-OG 3.32Å; L366-S369 PolarHBondContact O-N 3.28Å; L366-S369 PolarHBondContact O-OG 3.09Å
370	T	61	Low	75.9	Confident	25 Å²	25	45 Å²	45	15%	0.153	25%	0.246	C	C	.	.			trans	-124.1	94.9	-172.2	57.6	0	0	0	0	112.7	I314 L366 Q367 M368 K372 L373	I314-T370 HydrophobicContact CB-CG2 4.28Å; I314-T370 HydrophobicContact CD1-CG2 3.6Å; I314-T370 WeakPolarHBondContact CD1-OG1 3.32Å; I314-T370 HydrophobicContact CG2-CG2 4.06Å; L366-T370 PolarHBondContact O-OG1 2.72Å; L366-T370 VanDerWaalsContact O-OG1 3.11Å; Q367-T370 PolarHBondContact O-OG1 2.7Å; M368-T370 PolarHBondContact O-N 3.45Å; T370-K372 PolarHBondContact O-N 3.45Å; T370-L373 PolarHBondContact O-N 3.28Å; T370-L373 VanDerWaalsContact O-N 3.15Å
371	D	60.2	Low	74	Confident	126 Å²	126	49.9 Å²	49.9	67%	0.674	28%	0.281	S	S	*	.	H	α-helix	trans	-51.3	-31.4	166	-82	-15.5	0	0	0	111.6	L373 S375	D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.37Å; D371-S375 VanDerWaalsContact O-CB 3.23Å; D371-S375 WeakPolarHBondContact O-CB 3.47Å; D371-S375 PolarHBondContact O-N 3.47Å; D371-S375 PolarHBondContact O-OG 3.23Å
372	K	57.7	Low	72.1	Confident	111 Å²	111	59 Å²	59	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-57.2	-36.9	-179.3	-65.7	-174.1	179.1	-176	0	113.8	T370 K376	T370-K372 PolarHBondContact O-N 3.45Å; K372-K376 VanDerWaalsContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CG 3.36Å; K372-K376 PolarHBondContact O-N 3.01Å
373	L	66.9	Low	70.5	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-71.6	-42.5	-172.1	-161.6	115.4	0	0	0	111.3	I314 Q367 T370 D371 A377 V413 T427	I314-L373 HydrophobicContact CD1-CB 4.22Å; I314-L373 HydrophobicContact CD1-CD1 3.49Å; I314-L373 VanDerWaalsContact CD1-CD1 3.49Å; I314-L373 HydrophobicContact CD1-CG 4.38Å; I314-L373 HydrophobicContact CG1-CD1 3.67Å; Q367-L373 HydrophobicContact CG-CD2 4.44Å; T370-L373 PolarHBondContact O-N 3.28Å; T370-L373 VanDerWaalsContact O-N 3.15Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.37Å; L373-A377 WeakPolarHBondContact O-CB 3.24Å; L373-V413 HydrophobicContact CD1-CG2 4.4Å; L373-V413 HydrophobicContact CD2-CG2 3.87Å; L373-V413 HydrophobicContact CG-CG2 3.69Å; L373-V413 VanDerWaalsContact O-CG2 3.27Å; L373-V413 WeakPolarHBondContact O-CG2 3.22Å; L373-T427 HydrophobicContact CD2-CG2 3.31Å
374	L	70	Confident	69.3	Low	16 Å²	16	64.6 Å²	64.6	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-81.9	-42.3	178.9	-65.4	173.8	0	0	0	112.4	K376 A377 L378 F385 I388 V425 I448	L374-K376 PolarHBondContact O-N 2.84Å; L374-A377 WeakPolarHBondContact O-CB 3.5Å; L374-A377 PolarHBondContact O-N 3.16Å; L374-L378 PolarHBondContact O-N 3.07Å; L374-F385 HydrophobicContact CB-CE1 3.82Å; L374-F385 HydrophobicContact CB-CZ 4.26Å; L374-F385 HydrophobicContact CD1-CE1 4.42Å; L374-I388 HydrophobicContact CD1-CD1 4.19Å; L374-V425 HydrophobicContact CD2-CB 3.87Å; L374-V425 HydrophobicContact CD2-CG1 3.86Å; L374-V425 HydrophobicContact CD2-CG2 4.07Å; L374-I448 HydrophobicContact CD2-CD1 4.31Å
375	S	67.3	Low	68.2	Low	40 Å²	40	67.2 Å²	67.2	28%	0.28	36%	0.363	S	S	.	.	H	α-helix	trans	-66.4	-34.8	-177.3	59.7	0	0	0	0	113.6	D371	D371-S375 VanDerWaalsContact O-CB 3.23Å; D371-S375 WeakPolarHBondContact O-CB 3.47Å; D371-S375 PolarHBondContact O-N 3.47Å; D371-S375 PolarHBondContact O-OG 3.23Å
376	K	67.9	Low	67.3	Low	130 Å²	130	68.6 Å²	68.6	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-73.1	-30.9	173.5	-75.9	-176.9	168	-168.4	0	113.3	G311 D312 K372 L374 L378	G311-K376 PolarHBondContact O-NZ 2.83Å; D312-K376 IonicContact OD1-NZ 3.87Å; D312-K376 PolarHBondContact OD1-NZ 2.77Å; K372-K376 VanDerWaalsContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CG 3.36Å; K372-K376 PolarHBondContact O-N 3.01Å; L374-K376 PolarHBondContact O-N 2.84Å; K376-L378 PolarHBondContact O-N 2.88Å
377	A	72.3	Confident	66.7	Low	23 Å²	23	71.8 Å²	71.8	19%	0.19	39%	0.394	C	S	.	.	H	α-helix	trans	-68.2	-26.9	-176.4	0	0	0	0	0	112.6	L373 L374 V413 V416 V425	L373-A377 WeakPolarHBondContact O-CB 3.24Å; L374-A377 WeakPolarHBondContact O-CB 3.5Å; L374-A377 PolarHBondContact O-N 3.16Å; A377-V413 HydrophobicContact CB-CG1 4.1Å; A377-V413 HydrophobicContact CB-CG2 3.94Å; A377-V416 HydrophobicContact CB-CG2 3.87Å; A377-V425 HydrophobicContact CB-CG1 4.25Å; A377-V425 HydrophobicContact CB-CG2 4.45Å
378	L	75.9	Confident	66.7	Low	9 Å²	9	74.2 Å²	74.2	5%	0.047	41%	0.407	C	S	.	.	S	Bend	trans	-102.3	136.1	-176.9	-62.4	174.7	0	0	0	110.5	L374 K376 N380 V383 V416 A423 V425 I448 A451	L374-L378 PolarHBondContact O-N 3.07Å; K376-L378 PolarHBondContact O-N 2.88Å; L378-N380 PolarHBondContact O-N 3.19Å; L378-N380 VanDerWaalsContact O-N 3.16Å; L378-V383 HydrophobicContact CD1-CB 4.39Å; L378-V383 HydrophobicContact CD1-CG1 4.16Å; L378-V383 HydrophobicContact CD1-CG2 3.86Å; L378-V416 HydrophobicContact CD2-CG1 3.97Å; L378-A423 HydrophobicContact CD2-CB 3.5Å; L378-A423 VanDerWaalsContact CD2-CB 3.5Å; L378-V425 HydrophobicContact CD2-CG2 4.3Å; L378-I448 HydrophobicContact CD1-CD1 3.68Å; L378-A451 HydrophobicContact CD1-CB 4.15Å
379	P	66.7	Low	67.2	Low	92 Å²	92	74.5 Å²	74.5	60%	0.597	41%	0.41	S	S	*	.	S	Bend	trans	-65.8	-18.6	-178.8	23.6	-31.7	0	0	0	113.8	F454	P379-F454 HydrophobicContact CG-CB 3.71Å; P379-F454 HydrophobicContact CG-CD2 3.86Å; P379-F454 HydrophobicContact CG-CG 3.97Å
380	N	62.9	Low	68.2	Low	105 Å²	105	73.3 Å²	73.3	56%	0.561	40%	0.396	S	S	*	.			trans	-107.9	116.7	179	-66.3	-24	0	0	0	110.1	L378 Q382 V383	L378-N380 PolarHBondContact O-N 3.19Å; L378-N380 VanDerWaalsContact O-N 3.16Å; N380-Q382 VanDerWaalsContact C-N 3.29Å; N380-Q382 PolarHBondContact O-N 3.33Å; N380-V383 VanDerWaalsContact O-CG2 3.24Å; N380-V383 WeakPolarHBondContact O-CG2 3.3Å
381	S	56.3	Low	69.7	Low	106 Å²	106	73 Å²	73	74%	0.741	40%	0.397	S	S	*	.	S	Bend	trans	-76.1	-10.4	179.4	53.4	0	0	0	0	114.6	V383	S381-V383 VanDerWaalsContact C-N 3.28Å; S381-V383 PolarHBondContact O-N 3.39Å
382	Q	56	Low	71.4	Confident	192 Å²	192	68 Å²	68	90%	0.897	37%	0.37	S	S	*	.			trans	-92	37.9	179.2	-63.6	-167	-1.7	0	0	113.1	N380	N380-Q382 VanDerWaalsContact C-N 3.29Å; N380-Q382 PolarHBondContact O-N 3.33Å
383	V	59.9	Low	73.3	Confident	22 Å²	22	62.9 Å²	62.9	13%	0.133	35%	0.347	C	S	.	.			trans	-81.7	121.6	177.7	171.8	0	0	0	0	108.9	L378 N380 S381 F385 I448 A451	L378-V383 HydrophobicContact CD1-CB 4.39Å; L378-V383 HydrophobicContact CD1-CG1 4.16Å; L378-V383 HydrophobicContact CD1-CG2 3.86Å; N380-V383 VanDerWaalsContact O-CG2 3.24Å; N380-V383 WeakPolarHBondContact O-CG2 3.3Å; S381-V383 VanDerWaalsContact C-N 3.28Å; S381-V383 PolarHBondContact O-N 3.39Å; V383-F385 HydrophobicContact CB-CE1 4.41Å; V383-F385 HydrophobicContact CB-CE2 4.49Å; V383-F385 HydrophobicContact CB-CZ 4.21Å; V383-F385 HydrophobicContact CG1-CD1 4.19Å; V383-F385 HydrophobicContact CG1-CE1 3.98Å; V383-F385 HydrophobicContact CG1-CZ 4.27Å; V383-F385 VanDerWaalsContact O-CD2 3.24Å; V383-F385 WeakPolarHBondContact O-CD2 3.23Å; V383-F385 WeakPolarHBondContact O-CE2 3.5Å; V383-F385 PolarHBondContact O-N 2.95Å; V383-F385 VanDerWaalsContact O-N 3.15Å; V383-I448 HydrophobicContact CG1-CG2 3.45Å; V383-I448 VanDerWaalsContact CG1-CG2 3.45Å; V383-A451 HydrophobicContact CG1-CB 3.96Å; V383-A451 HydrophobicContact CG2-CB 4.05Å
384	D	66.6	Low	74.8	Confident	106 Å²	106	63.9 Å²	63.9	57%	0.567	35%	0.351	S	S	*	.			trans	-71	104.8	172.5	179.1	6.2	0	0	0	109.7	S386	D384-S386 PolarHBondContact O-N 2.87Å; D384-S386 WeakPolarHBondContact OD1-CB 3.45Å; D384-S386 PolarHBondContact OD1-N 3.27Å; D384-S386 PolarHBondContact OD1-OG 3.45Å; D384-S386 PolarHBondContact OD2-OG 3.17Å
385	F	66.8	Low	76.2	Confident	64 Å²	64	63.1 Å²	63.1	28%	0.281	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-77.9	4.9	-179.9	-68.7	-66	0	0	0	113.7	L374 V383 N387 I388 I448	L374-F385 HydrophobicContact CB-CE1 3.82Å; L374-F385 HydrophobicContact CB-CZ 4.26Å; L374-F385 HydrophobicContact CD1-CE1 4.42Å; V383-F385 HydrophobicContact CB-CE1 4.41Å; V383-F385 HydrophobicContact CB-CE2 4.49Å; V383-F385 HydrophobicContact CB-CZ 4.21Å; V383-F385 HydrophobicContact CG1-CD1 4.19Å; V383-F385 HydrophobicContact CG1-CE1 3.98Å; V383-F385 HydrophobicContact CG1-CZ 4.27Å; V383-F385 VanDerWaalsContact O-CD2 3.24Å; V383-F385 WeakPolarHBondContact O-CD2 3.23Å; V383-F385 WeakPolarHBondContact O-CE2 3.5Å; V383-F385 PolarHBondContact O-N 2.95Å; V383-F385 VanDerWaalsContact O-N 3.15Å; F385-N387 PolarHBondContact O-N 3.49Å; F385-I388 HydrophobicContact CB-CD1 3.9Å; F385-I388 HydrophobicContact CB-CG1 4.43Å; F385-I388 HydrophobicContact CD1-CD1 3.73Å; F385-I388 HydrophobicContact CD1-CG1 4.28Å; F385-I388 HydrophobicContact CG-CD1 4.26Å; F385-I388 WeakPolarHBondContact O-CD1 3.38Å; F385-I388 WeakPolarHBondContact O-CG1 3.12Å; F385-I448 HydrophobicContact CE1-CD1 4.31Å
386	S	67.6	Low	77.6	Confident	78 Å²	78	63.2 Å²	63.2	55%	0.545	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-65.5	-27.4	174.1	67	0	0	0	0	113.1	D384	D384-S386 PolarHBondContact O-N 2.87Å; D384-S386 WeakPolarHBondContact OD1-CB 3.45Å; D384-S386 PolarHBondContact OD1-N 3.27Å; D384-S386 PolarHBondContact OD1-OG 3.45Å; D384-S386 PolarHBondContact OD2-OG 3.17Å
387	N	73.6	Confident	79.1	Confident	74 Å²	74	57.5 Å²	57.5	40%	0.396	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-112.1	59.7	-174.8	-69.3	-50.2	0	0	0	112.6	F385 V449	F385-N387 PolarHBondContact O-N 3.49Å; N387-V449 HydrophobicContact CB-CB 4.02Å; N387-V449 HydrophobicContact CB-CG2 4.29Å; N387-V449 PolarHBondContact O-N 2.92Å
388	I	80.8	Confident	80.2	Confident	65 Å²	65	59.2 Å²	59.2	33%	0.333	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.4	174.9	-63.5	174.8	0	0	0	110.3	L374 F385 T446 I448	L374-I388 HydrophobicContact CD1-CD1 4.19Å; F385-I388 HydrophobicContact CB-CD1 3.9Å; F385-I388 HydrophobicContact CB-CG1 4.43Å; F385-I388 HydrophobicContact CD1-CD1 3.73Å; F385-I388 HydrophobicContact CD1-CG1 4.28Å; F385-I388 HydrophobicContact CG-CD1 4.26Å; F385-I388 WeakPolarHBondContact O-CD1 3.38Å; F385-I388 WeakPolarHBondContact O-CG1 3.12Å; I388-T446 HydrophobicContact CG2-CG2 3.19Å; I388-I448 HydrophobicContact CG1-CG1 4.39Å
389	L	85.8	Confident	81	Confident	96 Å²	96	61.3 Å²	61.3	50%	0.503	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.9	173.8	-57.1	177.1	0	0	0	110.6	G391 T446 F447 V449	L389-G391 PolarHBondContact O-N 3.02Å; L389-T446 WeakPolarHBondContact O-CA 3.3Å; L389-F447 HydrophobicContact CB-CB 4.32Å; L389-F447 HydrophobicContact CD1-CD1 4.28Å; L389-F447 PolarHBondContact N-O 3.23Å; L389-F447 PolarHBondContact O-N 2.93Å; L389-V449 HydrophobicContact CD1-CG2 4.24Å; L389-V449 HydrophobicContact CG-CG2 4.48Å
390	H	89	Confident	82.1	Confident	52 Å²	52	61.9 Å²	61.9	24%	0.241	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	100.7	168.4	-161.1	82.1	0	0	0	108.8	Q393 F549	H390-Q393 PolarHBondContact CE1-OE1 3.2Å; H390-Q393 VanDerWaalsContact CE1-OE1 3.31Å; H390-Q393 PolarHBondContact NE2-OE1 2.84Å; H390-F549 AromaticContact CD2-CD2 3.68Å; H390-F549 AromaticContact CD2-CE2 3.37Å; H390-F549 WeakPolarHBondContact CD2-CE2 3.15Å; H390-F549 AromaticContact NE2-CE2 3.98Å; H390-F549 VanDerWaalsContact O-CD2 3.32Å; H390-F549 WeakPolarHBondContact O-CD2 3.24Å
391	G	92.5	Very high	83.6	Confident	17 Å²	17	59 Å²	59	18%	0.175	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-48.3	-169.3	0	0	0	0	0	113.6	L389 T445 R548 F549	L389-G391 PolarHBondContact O-N 3.02Å; G391-T445 WeakPolarHBondContact CA-O 3.33Å; G391-T445 PolarHBondContact N-O 2.88Å; G391-R548 WeakPolarHBondContact O-CA 3.48Å; G391-F549 PolarHBondContact O-N 3.16Å
392	E	96.7	Very high	85.4	Confident	21 Å²	21	55.5 Å²	55.5	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151	-177.5	-50.4	-178.5	-178.4	0	0	111.3	T445 L467 K546 V547 R548	E392-T445 HydrophobicContact CG-CG2 4.36Å; E392-T445 PolarHBondContact N-O 3.01Å; E392-T445 PolarHBondContact O-N 3.26Å; E392-L467 WeakPolarHBondContact OE1-CD1 3.07Å; E392-K546 WeakPolarHBondContact OE2-CE 3.28Å; E392-K546 IonicContact OE2-NZ 3.81Å; E392-K546 PolarHBondContact OE2-NZ 2.75Å; E392-V547 VanDerWaalsContact CA-O 3.22Å; E392-V547 WeakPolarHBondContact CA-O 3.34Å; E392-V547 VanDerWaalsContact CB-O 3.31Å; E392-V547 WeakPolarHBondContact CB-O 3.42Å; E392-R548 HydrophobicContact CG-CB 4.31Å; E392-R548 HydrophobicContact CG-CG 4.49Å; E392-R548 IonicContact OE1-CZ 2.91Å; E392-R548 IonicContact OE1-NE 2.73Å; E392-R548 PolarHBondContact OE1-NE 3.42Å; E392-R548 IonicContact OE1-NH2 3.85Å; E392-R548 PolarHBondContact OE1-NH2 3.24Å
393	Q	97.8	Very high	87.3	Confident	4 Å²	4	49 Å²	49	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.2	172.9	-173.6	66.2	45.9	0	0	109.8	V360 H390 N442 L520 L523 K546 V547 F549	V360-Q393 HydrophobicContact CG1-CG 4.13Å; V360-Q393 HydrophobicContact CG2-CG 4.13Å; H390-Q393 PolarHBondContact CE1-OE1 3.2Å; H390-Q393 VanDerWaalsContact CE1-OE1 3.31Å; H390-Q393 PolarHBondContact NE2-OE1 2.84Å; Q393-N442 PolarHBondContact NE2-OD1 2.86Å; Q393-L520 HydrophobicContact CB-CD2 4.36Å; Q393-L520 HydrophobicContact CG-CD2 4.08Å; Q393-L523 HydrophobicContact CB-CD2 4.4Å; Q393-L523 HydrophobicContact CG-CD2 4.19Å; Q393-K546 CarbonylContact O-C 3.13Å; Q393-K546 VanDerWaalsContact O-CA 3.31Å; Q393-K546 WeakPolarHBondContact O-CA 3.32Å; Q393-V547 HydrophobicContact CB-CG2 4.03Å; Q393-V547 PolarHBondContact N-O 3.16Å; Q393-V547 VanDerWaalsContact N-O 3.08Å; Q393-V547 PolarHBondContact O-N 2.73Å; Q393-F549 HydrophobicContact CB-CE2 3.89Å; Q393-F549 HydrophobicContact CB-CZ 4.2Å
394	Y	98.3	Very high	89.1	Confident	30 Å²	30	51.2 Å²	51.2	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.4	161.8	177	-106.5	0	0	0	109.3	E396 N442 Q443 V465 A544 V545 K546	Y394-E396 HydrophobicContact CE1-CB 3.7Å; Y394-E396 WeakPolarHBondContact OH-CB 3.23Å; Y394-E396 VanDerWaalsContact OH-CD 3.3Å; Y394-E396 PolarHBondContact OH-OE2 3.35Å; Y394-N442 WeakPolarHBondContact O-CA 3.28Å; Y394-N442 PolarHBondContact O-OD1 2.84Å; Y394-Q443 HydrophobicContact CD1-CB 4.25Å; Y394-Q443 PolarHBondContact N-O 3.35Å; Y394-Q443 PolarHBondContact O-N 3.01Å; Y394-V465 HydrophobicContact CD1-CG2 3.86Å; Y394-V465 HydrophobicContact CD2-CB 4.1Å; Y394-V465 HydrophobicContact CD2-CG1 3.67Å; Y394-V465 HydrophobicContact CD2-CG2 4.1Å; Y394-V465 HydrophobicContact CE1-CG2 3.96Å; Y394-V465 HydrophobicContact CE2-CB 4.45Å; Y394-V465 HydrophobicContact CE2-CG1 3.79Å; Y394-V465 HydrophobicContact CE2-CG2 4.19Å; Y394-V465 HydrophobicContact CG-CB 4.13Å; Y394-V465 HydrophobicContact CG-CG1 4.22Å; Y394-V465 HydrophobicContact CG-CG2 3.9Å; Y394-A544 HydrophobicContact CE2-CB 3.89Å; Y394-V545 CarbonylContact C-O 3.53Å; Y394-V545 VanDerWaalsContact CA-O 3.25Å; Y394-V545 WeakPolarHBondContact CA-O 3.23Å; Y394-V545 VanDerWaalsContact CD2-O 3.3Å; Y394-V545 WeakPolarHBondContact CD2-O 3.33Å; Y394-K546 HydrophobicContact CD2-CB 4.12Å; Y394-K546 HydrophobicContact CD2-CD 4.3Å
395	L	98.5	Very high	90.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.6	171.6	167.9	79.3	0	0	0	108	P356 T357 F359 V360 I397 V440 R441 N442 F542 A544 V545	P356-L395 VanDerWaalsContact O-CD2 3.3Å; P356-L395 WeakPolarHBondContact O-CD2 3.26Å; T357-L395 HydrophobicContact CG2-CD2 4.43Å; F359-L395 HydrophobicContact CB-CD1 4.38Å; V360-L395 HydrophobicContact CG2-CB 4.03Å; V360-L395 HydrophobicContact CG2-CD1 4.21Å; V360-L395 HydrophobicContact CG2-CD2 4Å; V360-L395 HydrophobicContact CG2-CG 4.31Å; L395-I397 HydrophobicContact CD1-CD1 4.11Å; L395-I397 HydrophobicContact CD2-CD1 4.18Å; L395-I397 HydrophobicContact CG-CD1 4.12Å; L395-V440 HydrophobicContact CD1-CG1 3.31Å; L395-R441 CarbonylContact C-O 3.57Å; L395-R441 WeakPolarHBondContact CA-O 3.36Å; L395-N442 VanDerWaalsContact CD1-OD1 3.24Å; L395-N442 WeakPolarHBondContact CD1-OD1 3.24Å; L395-F542 HydrophobicContact CD2-CE1 4.24Å; L395-F542 HydrophobicContact CD2-CZ 4.32Å; L395-A544 CarbonylContact O-C 3.53Å; L395-A544 WeakPolarHBondContact O-CA 3.38Å; L395-A544 WeakPolarHBondContact O-CB 3.38Å; L395-V545 HydrophobicContact CB-CG1 3.97Å; L395-V545 HydrophobicContact CD2-CG1 4.46Å; L395-V545 PolarHBondContact N-O 3.34Å; L395-V545 PolarHBondContact O-N 2.71Å
396	E	98.5	Very high	91.7	Very high	41 Å²	41	46.1 Å²	46.1	19%	0.192	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.8	173.3	-179.6	175.4	-171.4	0	0	110.4	Y394 V398 V440 R441 K543 A544	Y394-E396 HydrophobicContact CE1-CB 3.7Å; Y394-E396 WeakPolarHBondContact OH-CB 3.23Å; Y394-E396 VanDerWaalsContact OH-CD 3.3Å; Y394-E396 PolarHBondContact OH-OE2 3.35Å; E396-V398 HydrophobicContact CG-CG2 4.44Å; E396-V440 WeakPolarHBondContact O-CA 3.43Å; E396-R441 HydrophobicContact CB-CB 4.34Å; E396-R441 PolarHBondContact N-O 2.87Å; E396-R441 PolarHBondContact O-N 2.9Å; E396-K543 WeakPolarHBondContact CA-O 3.34Å; E396-A544 HydrophobicContact CB-CB 4.16Å; E396-A544 HydrophobicContact CG-CB 4.32Å
397	I	97.9	Very high	93	Very high	11 Å²	11	42.5 Å²	42.5	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.6	173.3	-52.1	-48.1	0	0	0	107.3	P356 L395 D399 L401 V440 F542 K543	P356-I397 HydrophobicContact CB-CD1 4.31Å; P356-I397 HydrophobicContact CB-CG1 4.1Å; L395-I397 HydrophobicContact CD1-CD1 4.11Å; L395-I397 HydrophobicContact CD2-CD1 4.18Å; L395-I397 HydrophobicContact CG-CD1 4.12Å; I397-D399 WeakPolarHBondContact CG2-O 3.38Å; I397-L401 HydrophobicContact CD1-CD1 3.9Å; I397-L401 HydrophobicContact CD1-CD2 4.12Å; I397-L401 HydrophobicContact CD1-CG 4.47Å; I397-L401 HydrophobicContact CG1-CD1 4.03Å; I397-L401 HydrophobicContact CG2-CD1 3.85Å; I397-L401 HydrophobicContact CG2-CD2 3.92Å; I397-L401 HydrophobicContact CG2-CG 3.69Å; I397-V440 HydrophobicContact CD1-CG1 4.4Å; I397-V440 HydrophobicContact CD1-CG2 4.13Å; I397-F542 HydrophobicContact CB-CD1 4.44Å; I397-F542 HydrophobicContact CD1-CE1 4.5Å; I397-F542 HydrophobicContact CG1-CD1 3.59Å; I397-F542 HydrophobicContact CG1-CE1 3.75Å; I397-K543 PolarHBondContact N-O 2.96Å
398	V	95.5	Very high	93.9	Very high	59 Å²	59	41.9 Å²	41.9	36%	0.358	24%	0.239	S	C	.	.			trans	-85.8	-35	-175.4	-177.2	0	0	0	0	110.9	E396 L438 L439 R441	E396-V398 HydrophobicContact CG-CG2 4.44Å; V398-L438 HydrophobicContact CB-CG 4.5Å; V398-L438 HydrophobicContact CG1-CD2 4.43Å; V398-L438 HydrophobicContact CG1-CG 4.49Å; V398-L438 HydrophobicContact CG2-CD2 4.36Å; V398-L438 HydrophobicContact CG2-CG 4.37Å; V398-L439 PolarHBondContact N-O 3.17Å; V398-R441 HydrophobicContact CG2-CG 3.92Å
399	D	92.8	Very high	94.5	Very high	53 Å²	53	38.9 Å²	38.9	28%	0.283	22%	0.224	S	C	.	.	S	Bend	trans	-146.2	177.7	-178.1	-159.2	1.8	0	0	0	111	I397 R437 L439	I397-D399 WeakPolarHBondContact CG2-O 3.38Å; D399-R437 IonicContact OD1-NH1 3.49Å; D399-R437 VanDerWaalsContact OD2-CD 3.24Å; D399-R437 WeakPolarHBondContact OD2-CD 3.34Å; D399-R437 IonicContact OD2-CZ 3.56Å; D399-R437 IonicContact OD2-NE 3.27Å; D399-R437 IonicContact OD2-NH1 2.77Å; D399-R437 PolarHBondContact OD2-NH1 3.44Å; D399-L439 HydrophobicContact CB-CD2 4.05Å
400	D	91.2	Very high	94.6	Very high	104 Å²	104	36.8 Å²	36.8	56%	0.556	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-58.2	136	-177.8	-70.9	-25.7	0	0	0	112.8
401	L	93.7	Very high	94.6	Very high	44 Å²	44	34.6 Å²	34.6	23%	0.23	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-90.1	127.8	-174	-67	170.8	0	0	0	111.6	P356 F359 I397 V440	P356-L401 HydrophobicContact CB-CD1 4.38Å; F359-L401 HydrophobicContact CD1-CD2 4.25Å; F359-L401 HydrophobicContact CD2-CD1 3.71Å; F359-L401 HydrophobicContact CD2-CD2 3.72Å; F359-L401 HydrophobicContact CD2-CG 4.2Å; F359-L401 HydrophobicContact CE1-CD2 4.21Å; F359-L401 HydrophobicContact CE2-CB 3.82Å; F359-L401 HydrophobicContact CE2-CD1 3.6Å; F359-L401 HydrophobicContact CE2-CD2 3.67Å; F359-L401 HydrophobicContact CE2-CG 3.88Å; F359-L401 HydrophobicContact CG-CD2 4.02Å; F359-L401 HydrophobicContact CZ-CB 4Å; F359-L401 HydrophobicContact CZ-CD2 3.92Å; F359-L401 HydrophobicContact CZ-CG 4.36Å; I397-L401 HydrophobicContact CD1-CD1 3.9Å; I397-L401 HydrophobicContact CD1-CD2 4.12Å; I397-L401 HydrophobicContact CD1-CG 4.47Å; I397-L401 HydrophobicContact CG1-CD1 4.03Å; I397-L401 HydrophobicContact CG2-CD1 3.85Å; I397-L401 HydrophobicContact CG2-CD2 3.92Å; I397-L401 HydrophobicContact CG2-CG 3.69Å; L401-V440 HydrophobicContact CD2-CG2 3.77Å
402	P	93.8	Very high	94.3	Very high	33 Å²	33	39.1 Å²	39.1	21%	0.214	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-72.5	154.4	175.7	22.6	-23.8	0	0	0	111.8	F320 L407 L439	F320-P402 WeakPolarHBondContact CE2-O 3.5Å; F320-P402 HydrophobicContact CZ-CB 4.35Å; F320-P402 HydrophobicContact CZ-CG 4.02Å; F320-P402 WeakPolarHBondContact CZ-O 3.27Å; P402-L407 HydrophobicContact CG-CD2 4.47Å; P402-L439 HydrophobicContact CG-CD1 3.8Å
403	T	96.4	Very high	93.9	Very high	54 Å²	54	40.2 Å²	40.2	33%	0.331	23%	0.228	S	C	.	.	S	Bend	trans	-93.6	-8.1	174.6	50.5	0	0	0	0	113.4	N321 L325 F352	N321-T403 CarbonylContact C-O 3.41Å; L325-T403 VanDerWaalsContact CD1-O 3.25Å; L325-T403 WeakPolarHBondContact CD1-O 3.49Å; F352-T403 HydrophobicContact CD1-CG2 3.77Å; F352-T403 HydrophobicContact CE1-CG2 3.94Å
404	S	96.7	Very high	93.6	Very high	70 Å²	70	42.6 Å²	42.6	49%	0.49	24%	0.238	S	C	.	.	S	Bend	trans	-161.5	156.6	172.4	60.1	0	0	0	0	110.6	F320	F320-S404 CarbonylContact O-C 3.53Å; F320-S404 WeakPolarHBondContact O-CA 3.47Å
405	G	94.2	Very high	93.3	Very high	28 Å²	28	41.5 Å²	41.5	29%	0.289	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	142.7	-168.3	170.4	0	0	0	0	0	112.4	F320	F320-G405 VanDerWaalsContact CD1-O 3.31Å; F320-G405 WeakPolarHBondContact CD1-O 3.23Å; F320-G405 PolarHBondContact N-O 3.37Å; F320-G405 PolarHBondContact O-N 3.17Å
406	T	94.6	Very high	92.9	Very high	34 Å²	34	42.9 Å²	42.9	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.8	175.1	-44.8	0	0	0	0	109.4	A317 E319 E434	A317-T406 HydrophobicContact CB-CG2 3.87Å; E319-T406 HydrophobicContact CG-CG2 3.9Å; T406-E434 VanDerWaalsContact CB-OE1 3.28Å; T406-E434 WeakPolarHBondContact CB-OE1 3.47Å; T406-E434 PolarHBondContact OG1-OE1 2.87Å
407	L	95.2	Very high	92.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125	169.6	-60.9	-175.9	0	0	0	110.6	A317 F318 F320 F359 P362 P402 F432 L439	A317-L407 CarbonylContact C-O 3.59Å; A317-L407 WeakPolarHBondContact CA-O 3.18Å; F318-L407 PolarHBondContact N-O 2.86Å; F318-L407 PolarHBondContact O-N 3.06Å; F320-L407 HydrophobicContact CD1-CG 4.47Å; F320-L407 HydrophobicContact CE1-CD1 4.13Å; F320-L407 HydrophobicContact CE1-CD2 4.36Å; F320-L407 HydrophobicContact CE1-CG 3.87Å; F359-L407 HydrophobicContact CD1-CD1 3.65Å; F359-L407 HydrophobicContact CE1-CD1 3.77Å; P362-L407 HydrophobicContact CG-CD1 4.12Å; P402-L407 HydrophobicContact CG-CD2 4.47Å; L407-F432 CarbonylContact C-O 3.47Å; L407-F432 VanDerWaalsContact CA-O 3.27Å; L407-F432 WeakPolarHBondContact CA-O 3.35Å; L407-L439 HydrophobicContact CD2-CD1 3.86Å
408	L	92.3	Very high	92.5	Very high	61 Å²	61	41.4 Å²	41.4	32%	0.319	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.4	167.6	-167.2	64.1	0	0	0	108.4	E315 S431 F432	E315-L408 VanDerWaalsContact CD-CD1 3.43Å; E315-L408 HydrophobicContact CG-CD1 3.47Å; E315-L408 VanDerWaalsContact CG-CD1 3.47Å; E315-L408 HydrophobicContact CG-CD2 4.43Å; E315-L408 HydrophobicContact CG-CG 3.8Å; E315-L408 WeakPolarHBondContact OE2-CD2 3.38Å; L408-S431 CarbonylContact O-C 3.59Å; L408-S431 WeakPolarHBondContact O-CA 3.28Å; L408-F432 PolarHBondContact N-O 3.36Å; L408-F432 WeakPolarHBondContact O-CD2 3.36Å; L408-F432 PolarHBondContact O-N 3.35Å
409	T	92.8	Very high	92.3	Very high	2 Å²	2	43 Å²	43	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.3	-177.6	-57.4	0	0	0	0	110.6	E315 D316 P362 L366 E430 S431	E315-T409 VanDerWaalsContact CA-O 3.26Å; E315-T409 WeakPolarHBondContact CA-O 3.19Å; D316-T409 PolarHBondContact N-O 3.09Å; D316-T409 VanDerWaalsContact N-O 3.12Å; D316-T409 PolarHBondContact O-N 2.95Å; P362-T409 HydrophobicContact CB-CG2 4.28Å; P362-T409 VanDerWaalsContact CB-OG1 3.23Å; P362-T409 WeakPolarHBondContact CB-OG1 3.25Å; L366-T409 HydrophobicContact CD2-CG2 3.8Å; L366-T409 WeakPolarHBondContact CD2-O 3.49Å; T409-E430 CarbonylContact C-O 3.52Å; T409-E430 WeakPolarHBondContact CA-O 3.35Å; T409-S431 WeakPolarHBondContact CG2-OG 3.49Å; T409-S431 WeakPolarHBondContact OG1-CB 3.23Å; T409-S431 PolarHBondContact OG1-OG 2.8Å
410	N	88.8	Confident	92.2	Very high	52 Å²	52	41.9 Å²	41.9	28%	0.278	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.7	173.4	-69.3	-36.1	0	0	0	109.6	I314 E315 S429 E430 F432	I314-N410 CarbonylContact O-C 3.55Å; I314-N410 WeakPolarHBondContact O-CA 3.48Å; E315-N410 WeakPolarHBondContact CB-OD1 3.38Å; E315-N410 VanDerWaalsContact CG-OD1 3.26Å; E315-N410 WeakPolarHBondContact CG-OD1 3.41Å; E315-N410 PolarHBondContact OE2-OD1 2.8Å; N410-S429 CarbonylContact O-C 3.02Å; N410-S429 WeakPolarHBondContact O-CA 3.48Å; N410-S429 WeakPolarHBondContact O-CB 3.47Å; N410-E430 PolarHBondContact N-O 3.05Å; N410-E430 PolarHBondContact O-N 3.06Å; N410-F432 HydrophobicContact CB-CE2 4.48Å; N410-F432 WeakPolarHBondContact ND2-CE2 3.47Å
411	G	88.5	Confident	92.1	Very high	7 Å²	7	41 Å²	41	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144	-179.1	0	0	0	0	0	111.8	A313 I314 N428	A313-G411 CarbonylContact C-O 3.47Å; A313-G411 VanDerWaalsContact CA-O 3.3Å; A313-G411 WeakPolarHBondContact CA-O 3.29Å; I314-G411 WeakPolarHBondContact CG1-O 3.38Å; I314-G411 PolarHBondContact N-O 3.25Å; I314-G411 PolarHBondContact O-N 3.46Å; G411-N428 CarbonylContact C-O 3.57Å; G411-N428 WeakPolarHBondContact CA-O 3.39Å
412	K	86.8	Confident	92	Very high	111 Å²	111	38.9 Å²	38.9	48%	0.483	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.9	176.2	64.8	-177.1	176.6	-172.4	0	112	F414 T427 N428	K412-F414 PolarHBondContact O-N 3Å; K412-T427 CarbonylContact O-C 3.54Å; K412-T427 VanDerWaalsContact O-CA 3.29Å; K412-T427 WeakPolarHBondContact O-CA 3.41Å; K412-N428 HydrophobicContact CG-CB 4.48Å; K412-N428 PolarHBondContact N-O 3.44Å; K412-N428 PolarHBondContact O-N 2.95Å
413	V	88.4	Confident	91.8	Very high	44 Å²	44	37.3 Å²	37.3	27%	0.267	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	123.5	163.8	-175.1	0	0	0	0	107.9	L373 A377 V416 V425	L373-V413 HydrophobicContact CD1-CG2 4.4Å; L373-V413 HydrophobicContact CD2-CG2 3.87Å; L373-V413 HydrophobicContact CG-CG2 3.69Å; L373-V413 VanDerWaalsContact O-CG2 3.27Å; L373-V413 WeakPolarHBondContact O-CG2 3.22Å; A377-V413 HydrophobicContact CB-CG1 4.1Å; A377-V413 HydrophobicContact CB-CG2 3.94Å; V413-V416 HydrophobicContact CG1-CG2 3.72Å; V413-V425 HydrophobicContact CG1-CG1 3.96Å
414	F	90	Very high	91.6	Very high	55 Å²	55	35.3 Å²	35.3	24%	0.241	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-40.3	176.6	-176.2	-100.7	0	0	0	111.4	K412 V426 N428 I461 V464	K412-F414 PolarHBondContact O-N 3Å; F414-V426 HydrophobicContact CB-CG1 4.3Å; F414-V426 HydrophobicContact CD1-CG1 4.22Å; F414-V426 PolarHBondContact N-O 2.97Å; F414-N428 HydrophobicContact CB-CB 4.29Å; F414-N428 WeakPolarHBondContact CD2-ND2 3.32Å; F414-I461 HydrophobicContact CD1-CD1 4.33Å; F414-I461 HydrophobicContact CD1-CG1 4.45Å; F414-I461 HydrophobicContact CE1-CD1 3.92Å; F414-I461 HydrophobicContact CE1-CG1 3.83Å; F414-I461 HydrophobicContact CZ-CD1 4.2Å; F414-I461 HydrophobicContact CZ-CG1 4.38Å; F414-I461 WeakPolarHBondContact O-CD1 3.47Å; F414-V464 HydrophobicContact CD1-CG2 3.96Å; F414-V464 HydrophobicContact CE1-CG2 3.82Å
415	D	92.2	Very high	91.4	Very high	6 Å²	6	32 Å²	32	3%	0.032	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.2	-179.6	-157.6	11.4	0	0	0	113	V426 K457 P460 I461 V464	D415-V426 HydrophobicContact CB-CB 3.82Å; D415-V426 HydrophobicContact CB-CG2 3.95Å; D415-V426 PolarHBondContact N-O 2.76Å; D415-V426 VanDerWaalsContact N-O 3.08Å; D415-V426 PolarHBondContact O-N 3.19Å; D415-K457 WeakPolarHBondContact OD1-CE 3.49Å; D415-K457 IonicContact OD1-NZ 3.47Å; D415-K457 PolarHBondContact OD1-NZ 3.17Å; D415-P460 WeakPolarHBondContact OD2-CA 3.49Å; D415-I461 HydrophobicContact CB-CD1 4.17Å; D415-I461 HydrophobicContact CB-CG1 4.12Å; D415-I461 PolarHBondContact OD2-N 2.99Å; D415-V464 HydrophobicContact CB-CG2 4.22Å
416	V	91.6	Very high	91.3	Very high	29 Å²	29	30.6 Å²	30.6	18%	0.176	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.8	173.5	-173.4	0	0	0	0	109	A377 L378 V413 V424 V425 F454 K457	A377-V416 HydrophobicContact CB-CG2 3.87Å; L378-V416 HydrophobicContact CD2-CG1 3.97Å; V413-V416 HydrophobicContact CG1-CG2 3.72Å; V416-V424 CarbonylContact C-O 3.56Å; V416-V424 VanDerWaalsContact CA-O 3.31Å; V416-V424 WeakPolarHBondContact CA-O 3.22Å; V416-V425 HydrophobicContact CG2-CG1 4.47Å; V416-F454 HydrophobicContact CG1-CE2 4.34Å; V416-F454 HydrophobicContact CG1-CZ 3.91Å; V416-K457 WeakPolarHBondContact O-CE 3.17Å
417	M	93.5	Very high	91.2	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.034	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.9	179.9	-61.7	164.5	-94.5	0	0	111.8	A423 V424 V426 K457 P460	M417-A423 WeakPolarHBondContact O-CA 3.36Å; M417-V424 HydrophobicContact CB-CB 4.22Å; M417-V424 HydrophobicContact CE-CB 3.99Å; M417-V424 HydrophobicContact CE-CG1 3.5Å; M417-V424 PolarHBondContact N-O 2.97Å; M417-V424 PolarHBondContact O-N 3.22Å; M417-V426 HydrophobicContact CE-CG2 3.62Å; M417-K457 CarbonylContact C-O 3.54Å; M417-K457 VanDerWaalsContact CA-O 3.22Å; M417-K457 WeakPolarHBondContact CA-O 3.45Å; M417-K457 WeakPolarHBondContact CB-O 3.28Å; M417-K457 HydrophobicContact CG-CG 4.32Å; M417-P460 HydrophobicContact CE-CB 4.08Å; M417-P460 VanDerWaalsContact SD-CA 3.58Å; M417-P460 HydrophobicContact SD-CB 3.81Å; M417-P460 HydrophobicContact SD-CG 4.43Å
418	D	92.9	Very high	91.2	Very high	14 Å²	14	30.9 Å²	30.9	8%	0.075	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.4	171.1	-170.6	-16.2	0	0	0	109.8	G420 G452 K453 F454 G455 K457	D418-G420 WeakPolarHBondContact OD1-CA 3.44Å; D418-G420 PolarHBondContact OD1-N 3.31Å; D418-G452 WeakPolarHBondContact OD1-CA 3.23Å; D418-K453 VanDerWaalsContact CG-N 3.27Å; D418-K453 PolarHBondContact OD1-N 3.39Å; D418-K453 VanDerWaalsContact OD2-C 3.3Å; D418-K453 WeakPolarHBondContact OD2-CA 3.49Å; D418-K453 PolarHBondContact OD2-N 3.08Å; D418-F454 HydrophobicContact CB-CD1 4.05Å; D418-F454 HydrophobicContact CB-CE1 3.55Å; D418-F454 HydrophobicContact CB-CE2 4.21Å; D418-F454 HydrophobicContact CB-CZ 3.64Å; D418-F454 PolarHBondContact OD2-N 2.8Å; D418-G455 PolarHBondContact OD2-N 2.98Å; D418-K457 PolarHBondContact N-O 2.89Å
419	K	92.6	Very high	91.2	Very high	92 Å²	92	28.3 Å²	28.3	40%	0.4	16%	0.159	S	C	.	.			trans	-103.1	13.1	177.6	-61.4	-62.3	-173.2	177.3	0	112.5	S421 G422 V424 F447 K458	K419-S421 PolarHBondContact O-N 3.27Å; K419-G422 PolarHBondContact N-O 3.49Å; K419-V424 HydrophobicContact CD-CG2 4.43Å; K419-V424 HydrophobicContact CG-CG2 3.57Å; K419-F447 HydrophobicContact CB-CE2 4.03Å; K419-F447 HydrophobicContact CG-CE2 4.34Å; K419-K458 WeakPolarHBondContact CE-O 3.37Å; K419-K458 PolarHBondContact NZ-O 3.3Å
420	G	90.1	Very high	91.4	Very high	31 Å²	31	31.5 Å²	31.5	32%	0.32	17%	0.173	S	C	.	.	S	Bend	trans	76.6	-53.1	178.4	0	0	0	0	0	114	D418 K453	D418-G420 WeakPolarHBondContact OD1-CA 3.44Å; D418-G420 PolarHBondContact OD1-N 3.31Å; G420-K453 WeakPolarHBondContact O-CG 3.31Å
421	S	89.9	Confident	91.7	Very high	85 Å²	85	29 Å²	29	59%	0.594	16%	0.16	S	C	*	.	S	Bend	trans	-83.1	-14	174.6	57.9	0	0	0	0	113.6	K419 G450	K419-S421 PolarHBondContact O-N 3.27Å; S421-G450 WeakPolarHBondContact O-CA 3.48Å; S421-G450 PolarHBondContact O-N 3Å
422	G	89.9	Confident	91.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	176.9	-178	0	0	0	0	0	111.7	K419 I448 G452	K419-G422 PolarHBondContact N-O 3.49Å; G422-I448 CarbonylContact C-O 3.17Å; G422-I448 WeakPolarHBondContact CA-O 3.27Å; G422-G452 VanDerWaalsContact C-CA 3.45Å; G422-G452 WeakPolarHBondContact O-CA 3.38Å
423	A	91.2	Very high	92	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.1	171.9	0	0	0	0	0	110.5	L378 M417 F447 I448 A451 F454	L378-A423 HydrophobicContact CD2-CB 3.5Å; L378-A423 VanDerWaalsContact CD2-CB 3.5Å; M417-A423 WeakPolarHBondContact O-CA 3.36Å; A423-F447 CarbonylContact O-C 3.51Å; A423-F447 WeakPolarHBondContact O-CA 3.45Å; A423-I448 PolarHBondContact N-O 3.05Å; A423-I448 PolarHBondContact O-N 3.02Å; A423-A451 HydrophobicContact CB-CB 3.84Å; A423-A451 WeakPolarHBondContact CB-O 3.37Å; A423-F454 HydrophobicContact CB-CE1 3.83Å
424	V	92.4	Very high	91.8	Very high	11 Å²	11	31.7 Å²	31.7	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.2	167.1	175.7	0	0	0	0	108.3	V416 M417 K419 V426 T445 T446 F447	V416-V424 CarbonylContact C-O 3.56Å; V416-V424 VanDerWaalsContact CA-O 3.31Å; V416-V424 WeakPolarHBondContact CA-O 3.22Å; M417-V424 HydrophobicContact CB-CB 4.22Å; M417-V424 HydrophobicContact CE-CB 3.99Å; M417-V424 HydrophobicContact CE-CG1 3.5Å; M417-V424 PolarHBondContact N-O 2.97Å; M417-V424 PolarHBondContact O-N 3.22Å; K419-V424 HydrophobicContact CD-CG2 4.43Å; K419-V424 HydrophobicContact CG-CG2 3.57Å; V424-V426 HydrophobicContact CG1-CG2 4.26Å; V424-T445 HydrophobicContact CG1-CG2 3.25Å; V424-T446 CarbonylContact C-O 3.34Å; V424-T446 WeakPolarHBondContact CA-O 3.48Å; V424-F447 HydrophobicContact CG2-CD2 3.66Å; V424-F447 HydrophobicContact CG2-CE2 4.3Å
425	V	91.2	Very high	91.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.1	170.5	-174.1	0	0	0	0	108.3	L374 A377 L378 V413 V416 T427 T446 I448	L374-V425 HydrophobicContact CD2-CB 3.87Å; L374-V425 HydrophobicContact CD2-CG1 3.86Å; L374-V425 HydrophobicContact CD2-CG2 4.07Å; A377-V425 HydrophobicContact CB-CG1 4.25Å; A377-V425 HydrophobicContact CB-CG2 4.45Å; L378-V425 HydrophobicContact CD2-CG2 4.3Å; V413-V425 HydrophobicContact CG1-CG1 3.96Å; V416-V425 HydrophobicContact CG2-CG1 4.47Å; V425-T427 HydrophobicContact CG1-CG2 4.02Å; V425-T446 PolarHBondContact N-O 3.15Å; V425-T446 PolarHBondContact O-N 2.71Å; V425-I448 HydrophobicContact CG2-CD1 4.02Å
426	V	93.3	Very high	90.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.2	172.6	-174.7	0	0	0	0	107.6	F414 D415 M417 V424 Q443 S444 V464	F414-V426 HydrophobicContact CB-CG1 4.3Å; F414-V426 HydrophobicContact CD1-CG1 4.22Å; F414-V426 PolarHBondContact N-O 2.97Å; D415-V426 HydrophobicContact CB-CB 3.82Å; D415-V426 HydrophobicContact CB-CG2 3.95Å; D415-V426 PolarHBondContact N-O 2.76Å; D415-V426 VanDerWaalsContact N-O 3.08Å; D415-V426 PolarHBondContact O-N 3.19Å; M417-V426 HydrophobicContact CE-CG2 3.62Å; V424-V426 HydrophobicContact CG1-CG2 4.26Å; V426-Q443 HydrophobicContact CG1-CG 3.49Å; V426-Q443 VanDerWaalsContact CG1-CG 3.49Å; V426-S444 WeakPolarHBondContact CA-O 3.32Å; V426-V464 HydrophobicContact CG1-CG2 4.31Å; V426-V464 HydrophobicContact CG2-CG1 4.49Å; V426-V464 HydrophobicContact CG2-CG2 4.27Å
427	T	92.2	Very high	90.3	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.3	177.8	78.9	0	0	0	0	109.4	Q367 L373 K412 V425 Q443 S444	Q367-T427 HydrophobicContact CG-CG2 4.48Å; Q367-T427 PolarHBondContact OE1-OG1 3.19Å; L373-T427 HydrophobicContact CD2-CG2 3.31Å; K412-T427 CarbonylContact O-C 3.54Å; K412-T427 VanDerWaalsContact O-CA 3.29Å; K412-T427 WeakPolarHBondContact O-CA 3.41Å; V425-T427 HydrophobicContact CG1-CG2 4.02Å; T427-Q443 CarbonylContact O-C 3.57Å; T427-Q443 VanDerWaalsContact O-CA 3.23Å; T427-Q443 WeakPolarHBondContact O-CA 3.39Å; T427-S444 PolarHBondContact N-O 3.16Å; T427-S444 PolarHBondContact O-N 2.93Å; T427-S444 PolarHBondContact OG1-OG 2.83Å
428	N	93.7	Very high	90.3	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.193	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.7	170.8	-74.1	5.9	0	0	0	108.7	G411 K412 F414 N442 Q443	G411-N428 CarbonylContact C-O 3.57Å; G411-N428 WeakPolarHBondContact CA-O 3.39Å; K412-N428 HydrophobicContact CG-CB 4.48Å; K412-N428 PolarHBondContact N-O 3.44Å; K412-N428 PolarHBondContact O-N 2.95Å; F414-N428 HydrophobicContact CB-CB 4.29Å; F414-N428 WeakPolarHBondContact CD2-ND2 3.32Å; N428-N442 CarbonylContact C-O 3.54Å; N428-N442 WeakPolarHBondContact CA-O 3.32Å; N428-Q443 WeakPolarHBondContact OD1-CB 3.1Å; N428-Q443 VanDerWaalsContact OD1-CG 3.26Å; N428-Q443 WeakPolarHBondContact OD1-CG 3.22Å; N428-Q443 PolarHBondContact OD1-NE2 3.12Å
429	S	94.2	Very high	90.4	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.8	164.6	45.7	0	0	0	0	112.4	G363 N410 R441 N442	G363-S429 VanDerWaalsContact CA-OG 3.23Å; G363-S429 WeakPolarHBondContact CA-OG 3.4Å; N410-S429 CarbonylContact O-C 3.02Å; N410-S429 WeakPolarHBondContact O-CA 3.48Å; N410-S429 WeakPolarHBondContact O-CB 3.47Å; S429-R441 WeakPolarHBondContact O-CA 3.41Å; S429-N442 PolarHBondContact N-O 3.45Å; S429-N442 PolarHBondContact O-N 3.28Å; S429-N442 WeakPolarHBondContact OG-CB 3.38Å
430	E	95.4	Very high	90.7	Very high	68 Å²	68	35.4 Å²	35.4	32%	0.318	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.8	178.4	-65.4	-166.6	135.3	0	0	108.8	T409 N410 F432 L438 V440 R441	T409-E430 CarbonylContact C-O 3.52Å; T409-E430 WeakPolarHBondContact CA-O 3.35Å; N410-E430 PolarHBondContact N-O 3.05Å; N410-E430 PolarHBondContact O-N 3.06Å; E430-F432 HydrophobicContact CB-CE2 3.76Å; E430-F432 HydrophobicContact CB-CZ 3.96Å; E430-L438 HydrophobicContact CB-CD1 3.77Å; E430-L438 HydrophobicContact CG-CD1 4.28Å; E430-V440 WeakPolarHBondContact CA-O 3.26Å; E430-R441 HydrophobicContact CG-CG 4.21Å; E430-R441 IonicContact OE1-CZ 3.81Å; E430-R441 IonicContact OE1-NE 3.05Å; E430-R441 PolarHBondContact OE1-NE 3.06Å; E430-R441 IonicContact OE1-NH2 2.82Å
431	S	96.1	Very high	91	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.1	-179.7	-56.6	0	0	0	0	111.2	L408 T409 L439 V440	L408-S431 CarbonylContact O-C 3.59Å; L408-S431 WeakPolarHBondContact O-CA 3.28Å; T409-S431 WeakPolarHBondContact CG2-OG 3.49Å; T409-S431 WeakPolarHBondContact OG1-CB 3.23Å; T409-S431 PolarHBondContact OG1-OG 2.8Å; S431-L439 PolarHBondContact O-N 3.08Å; S431-V440 PolarHBondContact N-O 3.12Å; S431-V440 PolarHBondContact O-N 3.15Å
432	F	93	Very high	91.3	Very high	40 Å²	40	34.6 Å²	34.6	18%	0.175	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.3	-176.5	-55	-96.8	0	0	0	110.4	L407 L408 N410 E430 G436 R437 L438	L407-F432 CarbonylContact C-O 3.47Å; L407-F432 VanDerWaalsContact CA-O 3.27Å; L407-F432 WeakPolarHBondContact CA-O 3.35Å; L408-F432 PolarHBondContact N-O 3.36Å; L408-F432 WeakPolarHBondContact O-CD2 3.36Å; L408-F432 PolarHBondContact O-N 3.35Å; N410-F432 HydrophobicContact CB-CE2 4.48Å; N410-F432 WeakPolarHBondContact ND2-CE2 3.47Å; E430-F432 HydrophobicContact CB-CE2 3.76Å; E430-F432 HydrophobicContact CB-CZ 3.96Å; F432-G436 WeakPolarHBondContact CD1-O 3.24Å; F432-R437 VanDerWaalsContact CA-O 3.22Å; F432-R437 WeakPolarHBondContact CA-O 3.39Å; F432-L438 HydrophobicContact CD1-CB 4.01Å; F432-L438 HydrophobicContact CD1-CD1 4.33Å; F432-L438 HydrophobicContact CE1-CB 3.82Å; F432-L438 HydrophobicContact CE1-CD1 3.93Å; F432-L438 HydrophobicContact CE1-CG 4.41Å; F432-L438 HydrophobicContact CE2-CD1 4.45Å; F432-L438 HydrophobicContact CZ-CD1 3.99Å
433	D	87.3	Confident	91.6	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	18%	0.183	C	C	.	.			trans	-76.4	176.3	167.9	66.1	25.2	0	0	0	112.2	S435 G436 R437 L439	D433-S435 PolarHBondContact O-N 2.91Å; D433-S435 VanDerWaalsContact O-N 3.08Å; D433-S435 WeakPolarHBondContact OD1-CA 3.26Å; D433-S435 WeakPolarHBondContact OD1-CB 3.47Å; D433-S435 PolarHBondContact OD1-N 2.87Å; D433-S435 PolarHBondContact OD1-OG 2.96Å; D433-G436 PolarHBondContact O-N 3.4Å; D433-G436 PolarHBondContact OD1-N 2.88Å; D433-R437 PolarHBondContact N-O 3.38Å; D433-R437 WeakPolarHBondContact OD1-CB 3.43Å; D433-R437 PolarHBondContact OD1-N 2.95Å; D433-R437 VanDerWaalsContact OD1-N 3.07Å; D433-R437 IonicContact OD2-CZ 3.58Å; D433-R437 IonicContact OD2-NE 3.45Å; D433-R437 PolarHBondContact OD2-NE 3.34Å; D433-R437 IonicContact OD2-NH2 2.72Å; D433-R437 PolarHBondContact OD2-NH2 2.89Å; D433-L439 HydrophobicContact CB-CD1 3.95Å; D433-L439 HydrophobicContact CB-CG 4.47Å
434	E	84.3	Confident	91.8	Very high	154 Å²	154	35.2 Å²	35.2	72%	0.72	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.4	-179.9	-61.2	-179.1	142.6	0	0	113.6	T406	T406-E434 VanDerWaalsContact CB-OE1 3.28Å; T406-E434 WeakPolarHBondContact CB-OE1 3.47Å; T406-E434 PolarHBondContact OG1-OE1 2.87Å
435	S	78.7	Confident	91.9	Very high	97 Å²	97	35.1 Å²	35.1	68%	0.678	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-3.8	173.9	77.5	0	0	0	0	113.6	D433	D433-S435 PolarHBondContact O-N 2.91Å; D433-S435 VanDerWaalsContact O-N 3.08Å; D433-S435 WeakPolarHBondContact OD1-CA 3.26Å; D433-S435 WeakPolarHBondContact OD1-CB 3.47Å; D433-S435 PolarHBondContact OD1-N 2.87Å; D433-S435 PolarHBondContact OD1-OG 2.96Å
436	G	81	Confident	91.9	Very high	51 Å²	51	35.3 Å²	35.3	53%	0.526	19%	0.186	S	C	.	.			trans	85	12.2	-178.1	0	0	0	0	0	114.2	F432 D433	F432-G436 WeakPolarHBondContact CD1-O 3.24Å; D433-G436 PolarHBondContact O-N 3.4Å; D433-G436 PolarHBondContact OD1-N 2.88Å
437	R	84	Confident	91.7	Very high	101 Å²	101	37.5 Å²	37.5	38%	0.381	20%	0.196	S	C	.	.			trans	-83.2	131.2	179.3	-178.2	176.8	60.8	138	-5.3	110.7	D399 F432 D433 L439	D399-R437 IonicContact OD1-NH1 3.49Å; D399-R437 VanDerWaalsContact OD2-CD 3.24Å; D399-R437 WeakPolarHBondContact OD2-CD 3.34Å; D399-R437 IonicContact OD2-CZ 3.56Å; D399-R437 IonicContact OD2-NE 3.27Å; D399-R437 IonicContact OD2-NH1 2.77Å; D399-R437 PolarHBondContact OD2-NH1 3.44Å; F432-R437 VanDerWaalsContact CA-O 3.22Å; F432-R437 WeakPolarHBondContact CA-O 3.39Å; D433-R437 PolarHBondContact N-O 3.38Å; D433-R437 WeakPolarHBondContact OD1-CB 3.43Å; D433-R437 PolarHBondContact OD1-N 2.95Å; D433-R437 VanDerWaalsContact OD1-N 3.07Å; D433-R437 IonicContact OD2-CZ 3.58Å; D433-R437 IonicContact OD2-NE 3.45Å; D433-R437 PolarHBondContact OD2-NE 3.34Å; D433-R437 IonicContact OD2-NH2 2.72Å; D433-R437 PolarHBondContact OD2-NH2 2.89Å; R437-L439 HydrophobicContact CG-CD2 4.28Å; R437-L439 PolarHBondContact O-N 2.88Å
438	L	92	Very high	91.6	Very high	31 Å²	31	37.2 Å²	37.2	16%	0.162	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.5	178.3	176.8	63	0	0	0	111.1	V398 E430 F432 R441	V398-L438 HydrophobicContact CB-CG 4.5Å; V398-L438 HydrophobicContact CG1-CD2 4.43Å; V398-L438 HydrophobicContact CG1-CG 4.49Å; V398-L438 HydrophobicContact CG2-CD2 4.36Å; V398-L438 HydrophobicContact CG2-CG 4.37Å; E430-L438 HydrophobicContact CB-CD1 3.77Å; E430-L438 HydrophobicContact CG-CD1 4.28Å; F432-L438 HydrophobicContact CD1-CB 4.01Å; F432-L438 HydrophobicContact CD1-CD1 4.33Å; F432-L438 HydrophobicContact CE1-CB 3.82Å; F432-L438 HydrophobicContact CE1-CD1 3.93Å; F432-L438 HydrophobicContact CE1-CG 4.41Å; F432-L438 HydrophobicContact CE2-CD1 4.45Å; F432-L438 HydrophobicContact CZ-CD1 3.99Å; L438-R441 HydrophobicContact CD2-CG 4.43Å; L438-R441 VanDerWaalsContact CD2-CZ 3.48Å
439	L	95.9	Very high	91.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-38.7	-179.1	-57.8	-175.1	0	0	0	112.8	V398 D399 P402 L407 S431 D433 R437	V398-L439 PolarHBondContact N-O 3.17Å; D399-L439 HydrophobicContact CB-CD2 4.05Å; P402-L439 HydrophobicContact CG-CD1 3.8Å; L407-L439 HydrophobicContact CD2-CD1 3.86Å; S431-L439 PolarHBondContact O-N 3.08Å; D433-L439 HydrophobicContact CB-CD1 3.95Å; D433-L439 HydrophobicContact CB-CG 4.47Å; R437-L439 HydrophobicContact CG-CD2 4.28Å; R437-L439 PolarHBondContact O-N 2.88Å
440	V	98	Very high	90.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.9	-166.4	-176.9	0	0	0	0	111	F359 L395 E396 I397 L401 E430 S431 N442	F359-V440 HydrophobicContact CB-CG1 4.07Å; F359-V440 HydrophobicContact CB-CG2 3.82Å; F359-V440 HydrophobicContact CD1-CG2 4.22Å; F359-V440 HydrophobicContact CG-CG2 4.1Å; L395-V440 HydrophobicContact CD1-CG1 3.31Å; E396-V440 WeakPolarHBondContact O-CA 3.43Å; I397-V440 HydrophobicContact CD1-CG1 4.4Å; I397-V440 HydrophobicContact CD1-CG2 4.13Å; L401-V440 HydrophobicContact CD2-CG2 3.77Å; E430-V440 WeakPolarHBondContact CA-O 3.26Å; S431-V440 PolarHBondContact N-O 3.12Å; S431-V440 PolarHBondContact O-N 3.15Å; V440-N442 WeakPolarHBondContact CG1-ND2 3.26Å
441	R	97.8	Very high	90.5	Very high	95 Å²	95	38.9 Å²	38.9	36%	0.358	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.7	164.9	-61.6	-168.5	173.2	103.1	1	110.2	L395 E396 V398 S429 E430 L438	L395-R441 CarbonylContact C-O 3.57Å; L395-R441 WeakPolarHBondContact CA-O 3.36Å; E396-R441 HydrophobicContact CB-CB 4.34Å; E396-R441 PolarHBondContact N-O 2.87Å; E396-R441 PolarHBondContact O-N 2.9Å; V398-R441 HydrophobicContact CG2-CG 3.92Å; S429-R441 WeakPolarHBondContact O-CA 3.41Å; E430-R441 HydrophobicContact CG-CG 4.21Å; E430-R441 IonicContact OE1-CZ 3.81Å; E430-R441 IonicContact OE1-NE 3.05Å; E430-R441 PolarHBondContact OE1-NE 3.06Å; E430-R441 IonicContact OE1-NH2 2.82Å; L438-R441 HydrophobicContact CD2-CG 4.43Å; L438-R441 VanDerWaalsContact CD2-CZ 3.48Å
442	N	96.5	Very high	90.1	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.5	174.9	-82.4	-71.3	0	0	0	109.6	F359 Q393 Y394 L395 N428 S429 V440	F359-N442 PolarHBondContact O-ND2 3.32Å; Q393-N442 PolarHBondContact NE2-OD1 2.86Å; Y394-N442 WeakPolarHBondContact O-CA 3.28Å; Y394-N442 PolarHBondContact O-OD1 2.84Å; L395-N442 VanDerWaalsContact CD1-OD1 3.24Å; L395-N442 WeakPolarHBondContact CD1-OD1 3.24Å; N428-N442 CarbonylContact C-O 3.54Å; N428-N442 WeakPolarHBondContact CA-O 3.32Å; S429-N442 PolarHBondContact N-O 3.45Å; S429-N442 PolarHBondContact O-N 3.28Å; S429-N442 WeakPolarHBondContact OG-CB 3.38Å; V440-N442 WeakPolarHBondContact CG1-ND2 3.26Å
443	Q	96.6	Very high	89.9	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	117.6	164.9	175.7	179.8	93.3	0	0	109.2	Y394 V426 T427 N428 G463	Y394-Q443 HydrophobicContact CD1-CB 4.25Å; Y394-Q443 PolarHBondContact N-O 3.35Å; Y394-Q443 PolarHBondContact O-N 3.01Å; V426-Q443 HydrophobicContact CG1-CG 3.49Å; V426-Q443 VanDerWaalsContact CG1-CG 3.49Å; T427-Q443 CarbonylContact O-C 3.57Å; T427-Q443 VanDerWaalsContact O-CA 3.23Å; T427-Q443 WeakPolarHBondContact O-CA 3.39Å; N428-Q443 WeakPolarHBondContact OD1-CB 3.1Å; N428-Q443 VanDerWaalsContact OD1-CG 3.26Å; N428-Q443 WeakPolarHBondContact OD1-CG 3.22Å; N428-Q443 PolarHBondContact OD1-NE2 3.12Å; Q443-G463 PolarHBondContact NE2-O 3.03Å
444	S	94.9	Very high	90	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	152.6	176.9	70	0	0	0	0	110.2	Q367 V426 T427	Q367-S444 PolarHBondContact OE1-OG 2.78Å; V426-S444 WeakPolarHBondContact CA-O 3.32Å; T427-S444 PolarHBondContact N-O 3.16Å; T427-S444 PolarHBondContact O-N 2.93Å; T427-S444 PolarHBondContact OG1-OG 2.83Å
445	T	94	Very high	90.1	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.4	172.5	-61.1	0	0	0	0	108.7	G391 E392 V424	G391-T445 WeakPolarHBondContact CA-O 3.33Å; G391-T445 PolarHBondContact N-O 2.88Å; E392-T445 HydrophobicContact CG-CG2 4.36Å; E392-T445 PolarHBondContact N-O 3.01Å; E392-T445 PolarHBondContact O-N 3.26Å; V424-T445 HydrophobicContact CG1-CG2 3.25Å
446	T	90.9	Very high	90.5	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.6	-179.2	-60.1	0	0	0	0	109.2	Q367 I388 L389 V424 V425 I448	Q367-T446 PolarHBondContact NE2-OG1 3.06Å; I388-T446 HydrophobicContact CG2-CG2 3.19Å; L389-T446 WeakPolarHBondContact O-CA 3.3Å; V424-T446 CarbonylContact C-O 3.34Å; V424-T446 WeakPolarHBondContact CA-O 3.48Å; V425-T446 PolarHBondContact N-O 3.15Å; V425-T446 PolarHBondContact O-N 2.71Å; T446-I448 HydrophobicContact CG2-CG1 4.16Å
447	F	90.3	Very high	91.1	Very high	46 Å²	46	42.4 Å²	42.4	20%	0.202	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.5	174.2	-175	-96.5	0	0	0	109.5	L389 K419 A423 V424 V449	L389-F447 HydrophobicContact CB-CB 4.32Å; L389-F447 HydrophobicContact CD1-CD1 4.28Å; L389-F447 PolarHBondContact N-O 3.23Å; L389-F447 PolarHBondContact O-N 2.93Å; K419-F447 HydrophobicContact CB-CE2 4.03Å; K419-F447 HydrophobicContact CG-CE2 4.34Å; A423-F447 CarbonylContact O-C 3.51Å; A423-F447 WeakPolarHBondContact O-CA 3.45Å; V424-F447 HydrophobicContact CG2-CD2 3.66Å; V424-F447 HydrophobicContact CG2-CE2 4.3Å; F447-V449 HydrophobicContact CD1-CG2 3.93Å; F447-V449 HydrophobicContact CE1-CB 4.42Å; F447-V449 HydrophobicContact CE1-CG2 3.85Å
448	I	88.3	Confident	91.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108	-179.1	-53.1	164.1	0	0	0	107.5	L374 L378 V383 F385 I388 G422 A423 V425 T446 A451	L374-I448 HydrophobicContact CD2-CD1 4.31Å; L378-I448 HydrophobicContact CD1-CD1 3.68Å; V383-I448 HydrophobicContact CG1-CG2 3.45Å; V383-I448 VanDerWaalsContact CG1-CG2 3.45Å; F385-I448 HydrophobicContact CE1-CD1 4.31Å; I388-I448 HydrophobicContact CG1-CG1 4.39Å; G422-I448 CarbonylContact C-O 3.17Å; G422-I448 WeakPolarHBondContact CA-O 3.27Å; A423-I448 PolarHBondContact N-O 3.05Å; A423-I448 PolarHBondContact O-N 3.02Å; V425-I448 HydrophobicContact CG2-CD1 4.02Å; T446-I448 HydrophobicContact CG2-CG1 4.16Å; I448-A451 HydrophobicContact CB-CB 4Å; I448-A451 HydrophobicContact CG2-CB 3.81Å; I448-A451 PolarHBondContact O-N 3.43Å
449	V	86.2	Confident	91.5	Very high	67 Å²	67	49.2 Å²	49.2	41%	0.406	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	136.5	-175.6	-176.7	0	0	0	0	109.4	N387 L389 F447 A451	N387-V449 HydrophobicContact CB-CB 4.02Å; N387-V449 HydrophobicContact CB-CG2 4.29Å; N387-V449 PolarHBondContact O-N 2.92Å; L389-V449 HydrophobicContact CD1-CG2 4.24Å; L389-V449 HydrophobicContact CG-CG2 4.48Å; F447-V449 HydrophobicContact CD1-CG2 3.93Å; F447-V449 HydrophobicContact CE1-CB 4.42Å; F447-V449 HydrophobicContact CE1-CG2 3.85Å; V449-A451 PolarHBondContact O-N 2.99Å
450	G	87	Confident	91.4	Very high	64 Å²	64	52.4 Å²	52.4	66%	0.66	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-15.4	178.3	0	0	0	0	0	115.2	S421 G452	S421-G450 WeakPolarHBondContact O-CA 3.48Å; S421-G450 PolarHBondContact O-N 3Å; G450-G452 PolarHBondContact O-N 3.33Å
451	A	87.5	Confident	91.1	Very high	15 Å²	15	55.5 Å²	55.5	12%	0.124	32%	0.315	C	S	.	.			trans	-80.3	11.9	179.8	0	0	0	0	0	114.8	L378 V383 A423 I448 V449 F454	L378-A451 HydrophobicContact CD1-CB 4.15Å; V383-A451 HydrophobicContact CG1-CB 3.96Å; V383-A451 HydrophobicContact CG2-CB 4.05Å; A423-A451 HydrophobicContact CB-CB 3.84Å; A423-A451 WeakPolarHBondContact CB-O 3.37Å; I448-A451 HydrophobicContact CB-CB 4Å; I448-A451 HydrophobicContact CG2-CB 3.81Å; I448-A451 PolarHBondContact O-N 3.43Å; V449-A451 PolarHBondContact O-N 2.99Å; A451-F454 VanDerWaalsContact O-CD1 3.31Å; A451-F454 WeakPolarHBondContact O-CD1 3.45Å
452	G	88.5	Confident	90.8	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	34%	0.336	C	S	.	.			trans	-82	-169.7	179	0	0	0	0	0	113.3	D418 G422 G450 F454	D418-G452 WeakPolarHBondContact OD1-CA 3.23Å; G422-G452 VanDerWaalsContact C-CA 3.45Å; G422-G452 WeakPolarHBondContact O-CA 3.38Å; G450-G452 PolarHBondContact O-N 3.33Å; G452-F454 VanDerWaalsContact C-N 3.28Å; G452-F454 PolarHBondContact O-N 2.86Å
453	K	88.5	Confident	90.6	Very high	180 Å²	180	57.8 Å²	57.8	78%	0.783	36%	0.359	S	S	*	.			trans	62.5	27.3	177.6	-46.8	-178.6	-177.1	171.9	0	114.8	D418 G420 G455	D418-K453 VanDerWaalsContact CG-N 3.27Å; D418-K453 PolarHBondContact OD1-N 3.39Å; D418-K453 VanDerWaalsContact OD2-C 3.3Å; D418-K453 WeakPolarHBondContact OD2-CA 3.49Å; D418-K453 PolarHBondContact OD2-N 3.08Å; G420-K453 WeakPolarHBondContact O-CG 3.31Å; K453-G455 VanDerWaalsContact C-N 3.35Å
454	F	88.5	Confident	90.6	Very high	55 Å²	55	58.7 Å²	58.7	24%	0.241	37%	0.365	C	S	.	.	S	Bend	trans	-91.6	2.9	174	64.1	-88.7	0	0	0	113	P379 V416 D418 A423 A451 G452	P379-F454 HydrophobicContact CG-CB 3.71Å; P379-F454 HydrophobicContact CG-CD2 3.86Å; P379-F454 HydrophobicContact CG-CG 3.97Å; V416-F454 HydrophobicContact CG1-CE2 4.34Å; V416-F454 HydrophobicContact CG1-CZ 3.91Å; D418-F454 HydrophobicContact CB-CD1 4.05Å; D418-F454 HydrophobicContact CB-CE1 3.55Å; D418-F454 HydrophobicContact CB-CE2 4.21Å; D418-F454 HydrophobicContact CB-CZ 3.64Å; D418-F454 PolarHBondContact OD2-N 2.8Å; A423-F454 HydrophobicContact CB-CE1 3.83Å; A451-F454 VanDerWaalsContact O-CD1 3.31Å; A451-F454 WeakPolarHBondContact O-CD1 3.45Å; G452-F454 VanDerWaalsContact C-N 3.28Å; G452-F454 PolarHBondContact O-N 2.86Å
455	G	87.4	Confident	90.7	Very high	73 Å²	73	59.7 Å²	59.7	75%	0.753	37%	0.371	S	S	*	.			trans	81.1	16.5	176.1	0	0	0	0	0	113.9	D418 K453	D418-G455 PolarHBondContact OD2-N 2.98Å; K453-G455 VanDerWaalsContact C-N 3.35Å
456	G	87	Confident	90.8	Very high	28 Å²	28	63.7 Å²	63.7	29%	0.289	40%	0.397	S	S	.	.			trans	-70.4	169.6	175.5	0	0	0	0	0	113.3
457	K	92.8	Very high	91.1	Very high	94 Å²	94	65.9 Å²	65.9	41%	0.409	41%	0.408	S	S	.	.			trans	-63.5	149.4	172.7	66.3	-170.9	174.2	-136.1	0	111.2	D415 V416 M417 D418 I461	D415-K457 WeakPolarHBondContact OD1-CE 3.49Å; D415-K457 IonicContact OD1-NZ 3.47Å; D415-K457 PolarHBondContact OD1-NZ 3.17Å; V416-K457 WeakPolarHBondContact O-CE 3.17Å; M417-K457 CarbonylContact C-O 3.54Å; M417-K457 VanDerWaalsContact CA-O 3.22Å; M417-K457 WeakPolarHBondContact CA-O 3.45Å; M417-K457 WeakPolarHBondContact CB-O 3.28Å; M417-K457 HydrophobicContact CG-CG 4.32Å; D418-K457 PolarHBondContact N-O 2.89Å; K457-I461 HydrophobicContact CD-CG2 4.06Å
458	K	91.6	Very high	91.4	Very high	153 Å²	153	66.2 Å²	66.2	67%	0.665	41%	0.411	S	S	*	.	S	Bend	trans	-90	-33.9	178.4	-65	-174.3	180	179.6	0	112.8	K419	K419-K458 WeakPolarHBondContact CE-O 3.37Å; K419-K458 PolarHBondContact NZ-O 3.3Å
459	D	93.1	Very high	91.6	Very high	122 Å²	122	71.1 Å²	71.1	65%	0.652	44%	0.442	S	S	*	.	S	Bend	trans	-100	146.4	-173.9	-59.8	-53.6	0	0	0	111.1
460	P	93.4	Very high	91.8	Very high	66 Å²	66	69.8 Å²	69.8	43%	0.429	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-68.4	149.1	179.9	28.3	-34.2	0	0	0	111.4	D415 M417 V464	D415-P460 WeakPolarHBondContact OD2-CA 3.49Å; M417-P460 HydrophobicContact CE-CB 4.08Å; M417-P460 VanDerWaalsContact SD-CA 3.58Å; M417-P460 HydrophobicContact SD-CB 3.81Å; M417-P460 HydrophobicContact SD-CG 4.43Å; P460-V464 HydrophobicContact CB-CB 3.78Å; P460-V464 HydrophobicContact CB-CG1 4.02Å; P460-V464 HydrophobicContact CB-CG2 3.72Å
461	I	92.3	Very high	92.2	Very high	65 Å²	65	68 Å²	68	33%	0.333	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-70.6	163.9	170.7	66.3	-178	0	0	0	111.9	F414 D415 K457 G463 V464	F414-I461 HydrophobicContact CD1-CD1 4.33Å; F414-I461 HydrophobicContact CD1-CG1 4.45Å; F414-I461 HydrophobicContact CE1-CD1 3.92Å; F414-I461 HydrophobicContact CE1-CG1 3.83Å; F414-I461 HydrophobicContact CZ-CD1 4.2Å; F414-I461 HydrophobicContact CZ-CG1 4.38Å; F414-I461 WeakPolarHBondContact O-CD1 3.47Å; D415-I461 HydrophobicContact CB-CD1 4.17Å; D415-I461 HydrophobicContact CB-CG1 4.12Å; D415-I461 PolarHBondContact OD2-N 2.99Å; K457-I461 HydrophobicContact CD-CG2 4.06Å; I461-G463 PolarHBondContact O-N 3.22Å; I461-V464 HydrophobicContact CG1-CG2 4.39Å; I461-V464 PolarHBondContact O-N 3.4Å
462	A	92.3	Very high	92.5	Very high	97 Å²	97	75.6 Å²	75.6	80%	0.802	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	135.8	171	0	0	0	0	0	110.9
463	G	92.3	Very high	92.9	Very high	51 Å²	51	80.2 Å²	80.2	53%	0.526	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	-10.1	-177.4	0	0	0	0	0	114.9	Q443 I461 V465	Q443-G463 PolarHBondContact NE2-O 3.03Å; I461-G463 PolarHBondContact O-N 3.22Å; G463-V465 PolarHBondContact O-N 2.88Å
464	V	95.5	Very high	93.3	Very high	24 Å²	24	79.2 Å²	79.2	15%	0.145	47%	0.466	C	S	.	.	S	Bend	trans	-70.7	120.1	161.5	-179.1	0	0	0	0	108.2	F414 D415 V426 P460 I461 P466	F414-V464 HydrophobicContact CD1-CG2 3.96Å; F414-V464 HydrophobicContact CE1-CG2 3.82Å; D415-V464 HydrophobicContact CB-CG2 4.22Å; V426-V464 HydrophobicContact CG1-CG2 4.31Å; V426-V464 HydrophobicContact CG2-CG1 4.49Å; V426-V464 HydrophobicContact CG2-CG2 4.27Å; P460-V464 HydrophobicContact CB-CB 3.78Å; P460-V464 HydrophobicContact CB-CG1 4.02Å; P460-V464 HydrophobicContact CB-CG2 3.72Å; I461-V464 HydrophobicContact CG1-CG2 4.39Å; I461-V464 PolarHBondContact O-N 3.4Å; V464-P466 WeakPolarHBondContact O-CD 3.32Å
465	V	96.7	Very high	93.7	Very high	28 Å²	28	78 Å²	78	17%	0.17	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-69.9	121.7	-174.3	-177.9	0	0	0	0	109.7	Y394 G463 K546 Y588	Y394-V465 HydrophobicContact CD1-CG2 3.86Å; Y394-V465 HydrophobicContact CD2-CB 4.1Å; Y394-V465 HydrophobicContact CD2-CG1 3.67Å; Y394-V465 HydrophobicContact CD2-CG2 4.1Å; Y394-V465 HydrophobicContact CE1-CG2 3.96Å; Y394-V465 HydrophobicContact CE2-CB 4.45Å; Y394-V465 HydrophobicContact CE2-CG1 3.79Å; Y394-V465 HydrophobicContact CE2-CG2 4.19Å; Y394-V465 HydrophobicContact CG-CB 4.13Å; Y394-V465 HydrophobicContact CG-CG1 4.22Å; Y394-V465 HydrophobicContact CG-CG2 3.9Å; G463-V465 PolarHBondContact O-N 2.88Å; V465-K546 HydrophobicContact CB-CD 4.28Å; V465-K546 HydrophobicContact CG1-CD 4.14Å; V465-K546 HydrophobicContact CG1-CG 4.43Å; V465-K546 WeakPolarHBondContact O-CE 3.44Å; V465-K546 PolarHBondContact O-NZ 3.13Å; V465-Y588 WeakPolarHBondContact CG1-OH 3.48Å
466	P	96.8	Very high	94.2	Very high	93 Å²	93	77.1 Å²	77.1	60%	0.604	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-75.6	149.1	-173.5	30.5	-35.5	0	0	0	112.4	V464 Y588	V464-P466 WeakPolarHBondContact O-CD 3.32Å; P466-Y588 WeakPolarHBondContact O-CE1 3.39Å; P466-Y588 PolarHBondContact O-OH 3.2Å
467	L	97	Very high	94.7	Very high	50 Å²	50	76.4 Å²	76.4	26%	0.262	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-72.3	160.8	165.3	-66.2	165.7	0	0	0	110.7	E392 K546 R548 G586	E392-L467 WeakPolarHBondContact OE1-CD1 3.07Å; L467-K546 HydrophobicContact CD2-CG 3.97Å; L467-R548 HydrophobicContact CD1-CB 3.82Å; L467-R548 HydrophobicContact CD1-CG 4.49Å; L467-R548 HydrophobicContact CD2-CB 3.82Å; L467-G586 VanDerWaalsContact CD2-O 3.3Å; L467-G586 WeakPolarHBondContact CD2-O 3.33Å
468	Q	96.1	Very high	95	Very high	53 Å²	53	75.3 Å²	75.3	25%	0.248	43%	0.434	C	S	.	.			trans	-132.5	124.1	174.1	-168.9	178.6	-2.7	0	0	110.6	N571 G586 Y588	Q468-N571 PolarHBondContact OE1-ND2 3.03Å; Q468-G586 PolarHBondContact N-O 2.86Å; Q468-G586 CarbonylContact O-C 3.57Å; Q468-G586 WeakPolarHBondContact O-CA 3.43Å; Q468-Y588 HydrophobicContact CB-CD1 3.71Å; Q468-Y588 HydrophobicContact CB-CE1 3.97Å
469	P	93.7	Very high	95.3	Very high	103 Å²	103	69.5 Å²	69.5	67%	0.669	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-62.2	150.1	178.5	27	-34.4	0	0	0	111.2
470	A	90.9	Very high	95.5	Very high	39 Å²	39	69 Å²	69	32%	0.322	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61.4	142.4	173.2	0	0	0	0	0	110.1	W564	A470-W564 HydrophobicContact CB-CE3 4.37Å; A470-W564 HydrophobicContact CB-CH2 4.11Å; A470-W564 HydrophobicContact CB-CZ2 4.47Å; A470-W564 HydrophobicContact CB-CZ3 4.05Å
471	P	94.4	Very high	95.7	Very high	26 Å²	26	68 Å²	68	17%	0.169	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-56.6	142.8	175.9	-28.8	38.5	0	0	0	112.7	R473 W564 N571	P471-R473 HydrophobicContact CB-CG 3.95Å; P471-R473 PolarHBondContact O-N 3.46Å; P471-W564 HydrophobicContact CB-CG 4.2Å; P471-W564 HydrophobicContact CG-CB 3.73Å; P471-W564 HydrophobicContact CG-CG 3.83Å; P471-N571 HydrophobicContact CG-CB 4.49Å
472	N	93.9	Very high	96	Very high	175 Å²	175	69.4 Å²	69.4	94%	0.936	41%	0.405	S	S	*	.	S	Bend	trans	-79.8	58	175.9	-166.9	25.3	0	0	0	111.6
473	R	96.6	Very high	96.3	Very high	109 Å²	109	65 Å²	65	41%	0.411	37%	0.368	S	S	.	.	S	Bend	trans	-152	171	175.8	63.3	174	-177.8	84.6	-9.1	110.1	P471 D476 W564 K565	P471-R473 HydrophobicContact CB-CG 3.95Å; P471-R473 PolarHBondContact O-N 3.46Å; R473-D476 IonicContact CZ-OD1 2.72Å; R473-D476 IonicContact CZ-OD2 3.38Å; R473-D476 IonicContact NH1-OD1 2.73Å; R473-D476 PolarHBondContact NH1-OD1 3.11Å; R473-D476 IonicContact NH1-OD2 3.84Å; R473-D476 PolarHBondContact NH1-OD2 3.32Å; R473-D476 VanDerWaalsContact NH1-OD2 3.16Å; R473-D476 IonicContact NH2-OD1 2.58Å; R473-D476 PolarHBondContact NH2-OD1 3.4Å; R473-D476 IonicContact NH2-OD2 2.65Å; R473-D476 PolarHBondContact NH2-OD2 3.05Å; R473-W564 PolarHBondContact O-NE1 2.9Å; R473-K565 PolarHBondContact NH2-O 2.98Å; R473-K565 VanDerWaalsContact NH2-O 3.16Å
474	Q	97.1	Very high	96.5	Very high	159 Å²	159	65.3 Å²	65.3	74%	0.743	36%	0.362	S	S	*	.			trans	-62.4	146.8	175.4	-67	-61.8	-12.1	0	0	111.9	W564	Q474-W564 VanDerWaalsContact C-NE1 3.33Å; Q474-W564 PolarHBondContact O-NE1 3.16Å
475	P	97.7	Very high	96.6	Very high	29 Å²	29	72.1 Å²	72.1	19%	0.188	39%	0.392	C	S	.	.			trans	-58.6	144.9	173.1	-15.9	27.6	0	0	0	111.4	A477 D562 L563 W564	P475-A477 VanDerWaalsContact C-N 3.33Å; P475-D562 HydrophobicContact CB-CB 4.05Å; P475-D562 HydrophobicContact CG-CB 3.73Å; P475-L563 CarbonylContact C-O 3.57Å; P475-L563 WeakPolarHBondContact CA-O 3.18Å; P475-W564 HydrophobicContact CB-CD2 4.44Å; P475-W564 HydrophobicContact CB-CZ2 4.12Å; P475-W564 HydrophobicContact CG-CH2 4.12Å; P475-W564 HydrophobicContact CG-CZ2 3.6Å
476	D	97.8	Very high	96.6	Very high	55 Å²	55	76.4 Å²	76.4	29%	0.294	41%	0.414	S	S	.	.	S	Bend	trans	-76.1	-26.9	172.1	-59	-55.1	0	0	0	111.6	R473 L563 W564 K565 L598	R473-D476 IonicContact CZ-OD1 2.72Å; R473-D476 IonicContact CZ-OD2 3.38Å; R473-D476 IonicContact NH1-OD1 2.73Å; R473-D476 PolarHBondContact NH1-OD1 3.11Å; R473-D476 IonicContact NH1-OD2 3.84Å; R473-D476 PolarHBondContact NH1-OD2 3.32Å; R473-D476 VanDerWaalsContact NH1-OD2 3.16Å; R473-D476 IonicContact NH2-OD1 2.58Å; R473-D476 PolarHBondContact NH2-OD1 3.4Å; R473-D476 IonicContact NH2-OD2 2.65Å; R473-D476 PolarHBondContact NH2-OD2 3.05Å; D476-L563 PolarHBondContact N-O 2.95Å; D476-W564 VanDerWaalsContact OD2-CA 3.29Å; D476-W564 WeakPolarHBondContact OD2-CA 3.3Å; D476-K565 PolarHBondContact OD2-N 2.91Å; D476-L598 HydrophobicContact CB-CD1 3.98Å
477	A	97.7	Very high	96.6	Very high	13 Å²	13	72.6 Å²	72.6	11%	0.107	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	151.5	173.1	0	0	0	0	0	110.6	P475 Q533 F534 L563	P475-A477 VanDerWaalsContact C-N 3.33Å; A477-Q533 HydrophobicContact CB-CG 3.68Å; A477-F534 HydrophobicContact CB-CZ 4.31Å; A477-L563 HydrophobicContact CB-CB 4.38Å; A477-L563 HydrophobicContact CB-CD1 4.3Å; A477-L563 PolarHBondContact N-O 3.16Å; A477-L563 WeakPolarHBondContact O-CB 3.4Å; A477-L563 PolarHBondContact O-N 3.07Å
478	T	98.3	Very high	96.7	Very high	72 Å²	72	70.4 Å²	70.4	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.8	172.3	-70.9	0	0	0	0	108.5	R560 V561 D562	T478-R560 HydrophobicContact CG2-CG 3.38Å; T478-V561 WeakPolarHBondContact CA-O 3.48Å; T478-D562 WeakPolarHBondContact CG2-OD1 3.4Å; T478-D562 PolarHBondContact OG1-OD1 3.42Å
479	V	97.6	Very high	96.7	Very high	30 Å²	30	69.5 Å²	69.5	18%	0.182	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.5	179.8	-175.3	0	0	0	0	108.9	Y481 A529 R560 V561 L563	V479-Y481 HydrophobicContact CG1-CD2 4.36Å; V479-Y481 HydrophobicContact CG1-CE1 4.38Å; V479-Y481 HydrophobicContact CG1-CE2 3.64Å; V479-A529 HydrophobicContact CB-CB 4.07Å; V479-A529 HydrophobicContact CG1-CB 4.35Å; V479-A529 HydrophobicContact CG2-CB 4.26Å; V479-R560 CarbonylContact O-C 3.55Å; V479-R560 WeakPolarHBondContact O-CA 3.35Å; V479-V561 PolarHBondContact N-O 3.23Å; V479-V561 PolarHBondContact O-N 3.06Å; V479-L563 HydrophobicContact CG2-CD1 4.23Å
480	Q	98	Very high	96.9	Very high	111 Å²	111	67.6 Å²	67.6	52%	0.519	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.1	177.1	-66.4	-172.2	21.1	0	0	112.2	T558 L559 R560	Q480-T558 HydrophobicContact CB-CG2 4.24Å; Q480-L559 CarbonylContact C-O 3.57Å; Q480-L559 VanDerWaalsContact CA-O 3.23Å; Q480-L559 WeakPolarHBondContact CA-O 3.01Å; Q480-R560 HydrophobicContact CG-CB 4.06Å; Q480-R560 HydrophobicContact CG-CG 3.92Å
481	Y	97.2	Very high	97.2	Very high	45 Å²	45	65.9 Å²	65.9	18%	0.176	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124.3	172.5	-59.2	-77	0	0	0	110	V479 F525 A529 T558 L559	V479-Y481 HydrophobicContact CG1-CD2 4.36Å; V479-Y481 HydrophobicContact CG1-CE1 4.38Å; V479-Y481 HydrophobicContact CG1-CE2 3.64Å; Y481-F525 HydrophobicContact CD1-CD1 4.22Å; Y481-F525 HydrophobicContact CD1-CE1 4.47Å; Y481-F525 HydrophobicContact CD2-CB 4.41Å; Y481-F525 AromaticContact CD2-CD1 3.87Å; Y481-F525 HydrophobicContact CD2-CD1 3.87Å; Y481-F525 AromaticContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CE1 4.14Å; Y481-A529 HydrophobicContact CE2-CB 3.98Å; Y481-T558 CarbonylContact O-C 3.35Å; Y481-T558 WeakPolarHBondContact O-CA 3.4Å; Y481-L559 PolarHBondContact N-O 3.47Å; Y481-L559 PolarHBondContact O-N 3.35Å
482	T	98	Very high	97.3	Very high	96 Å²	96	67.4 Å²	67.4	59%	0.589	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.1	167.6	-54.6	0	0	0	0	108.7	T558	T482-T558 PolarHBondContact OG1-OG1 2.89Å
483	T	98	Very high	97.4	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.031	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-73.5	150.8	176.6	60.2	0	0	0	0	110.3	Q487 L517 F525 G556 Q557 L559	T483-Q487 HydrophobicContact CG2-CG 4.5Å; T483-L517 HydrophobicContact CG2-CD2 3.98Å; T483-F525 HydrophobicContact CG2-CE2 4.11Å; T483-F525 HydrophobicContact CG2-CZ 4.12Å; T483-G556 WeakPolarHBondContact O-CA 3.34Å; T483-G556 PolarHBondContact O-N 3.4Å; T483-G556 PolarHBondContact OG1-N 3.05Å; T483-Q557 PolarHBondContact N-O 3.48Å; T483-Q557 PolarHBondContact OG1-N 3.39Å; T483-Q557 PolarHBondContact OG1-O 2.73Å; T483-L559 HydrophobicContact CG2-CD1 3.92Å; T483-L559 HydrophobicContact CG2-CG 4.13Å
484	S	97	Very high	97.3	Very high	57 Å²	57	59.5 Å²	59.5	40%	0.399	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-68.5	153.4	169.1	-177.7	0	0	0	0	111	D486 Q487 P555 G556	S484-D486 PolarHBondContact O-N 3.38Å; S484-D486 PolarHBondContact OG-N 2.95Å; S484-D486 VanDerWaalsContact OG-N 3.17Å; S484-Q487 WeakPolarHBondContact O-CB 3.48Å; S484-Q487 PolarHBondContact O-N 3.28Å; S484-Q487 VanDerWaalsContact O-N 3.09Å; S484-P555 WeakPolarHBondContact O-CB 3.48Å; S484-G556 PolarHBondContact O-N 3.48Å; S484-G556 VanDerWaalsContact O-N 3.13Å
485	E	97.1	Very high	96.8	Very high	166 Å²	166	52.9 Å²	52.9	78%	0.776	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.2	166.4	-65.3	-171	162.6	0	0	110.9	Q487 P555	E485-Q487 VanDerWaalsContact C-N 3.35Å; E485-P555 VanDerWaalsContact O-CB 3.23Å; E485-P555 WeakPolarHBondContact O-CB 3.47Å
486	D	97.1	Very high	96.3	Very high	118 Å²	118	52.2 Å²	52.2	63%	0.631	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	7.1	177.7	-60.4	-49	0	0	0	113.5	S484 A488 A489 L490	S484-D486 PolarHBondContact O-N 3.38Å; S484-D486 PolarHBondContact OG-N 2.95Å; S484-D486 VanDerWaalsContact OG-N 3.17Å; D486-A488 VanDerWaalsContact C-N 3.33Å; D486-A488 PolarHBondContact O-N 2.89Å; D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 3.27Å; D486-L490 PolarHBondContact O-N 3.42Å
487	Q	98.1	Very high	95.9	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.065	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-41.5	-169.2	-166	71	52.2	0	0	112.8	L330 G331 T483 S484 E485 A489 L490 Y491 L517 F525	L330-Q487 PolarHBondContact O-NE2 2.83Å; G331-Q487 VanDerWaalsContact C-NE2 3.32Å; G331-Q487 PolarHBondContact O-NE2 3.2Å; T483-Q487 HydrophobicContact CG2-CG 4.5Å; S484-Q487 WeakPolarHBondContact O-CB 3.48Å; S484-Q487 PolarHBondContact O-N 3.28Å; S484-Q487 VanDerWaalsContact O-N 3.09Å; E485-Q487 VanDerWaalsContact C-N 3.35Å; Q487-A489 VanDerWaalsContact C-N 3.32Å; Q487-A489 PolarHBondContact O-N 3.01Å; Q487-L490 PolarHBondContact O-N 3.4Å; Q487-Y491 WeakPolarHBondContact O-CB 3.23Å; Q487-Y491 PolarHBondContact O-N 2.68Å; Q487-L517 HydrophobicContact CB-CD1 3.86Å; Q487-L517 HydrophobicContact CG-CD1 3.8Å; Q487-F525 HydrophobicContact CG-CE2 4.15Å; Q487-F525 HydrophobicContact CG-CZ 4.38Å
488	A	97.4	Very high	95.4	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-35.9	177.8	0	0	0	0	0	112	D486 L490 R492 H501 L517 P555	D486-A488 VanDerWaalsContact C-N 3.33Å; D486-A488 PolarHBondContact O-N 2.89Å; A488-L490 VanDerWaalsContact C-N 3.35Å; A488-R492 WeakPolarHBondContact O-CG 3.41Å; A488-R492 PolarHBondContact O-N 3.2Å; A488-R492 VanDerWaalsContact O-N 3.1Å; A488-H501 HydrophobicContact CB-CB 4.46Å; A488-H501 WeakPolarHBondContact CB-O 3.43Å; A488-L517 HydrophobicContact CB-CD1 4.04Å; A488-P555 HydrophobicContact CB-CG 3.95Å
489	A	97.3	Very high	95.1	Very high	33 Å²	33	58 Å²	58	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-34.1	177.7	0	0	0	0	0	112.3	D486 Q487 R492 I502	D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 3.27Å; Q487-A489 VanDerWaalsContact C-N 3.32Å; Q487-A489 PolarHBondContact O-N 3.01Å; A489-R492 WeakPolarHBondContact O-CG 3.48Å; A489-I502 HydrophobicContact CB-CD1 3.67Å
490	L	97.6	Very high	94.8	Very high	63 Å²	63	58.2 Å²	58.2	33%	0.33	31%	0.308	S	S	.	.	H	α-helix	trans	-73.9	-50.3	172.5	-179.2	59.4	0	0	0	111.5	L330 D486 Q487 A488 R492 L493	L330-L490 HydrophobicContact CB-CD2 4.12Å; D486-L490 PolarHBondContact O-N 3.42Å; Q487-L490 PolarHBondContact O-N 3.4Å; A488-L490 VanDerWaalsContact C-N 3.35Å; L490-R492 VanDerWaalsContact C-N 3.31Å; L490-R492 PolarHBondContact O-N 3Å; L490-L493 HydrophobicContact CD1-CD1 4.36Å; L490-L493 WeakPolarHBondContact O-CB 3.41Å; L490-L493 PolarHBondContact O-N 3.38Å; L490-L493 VanDerWaalsContact O-N 3.1Å
491	Y	98.2	Very high	94.6	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-40.1	-175.5	-178.6	-93	0	0	0	112.7	Y328 I332 Q487 L493 S494 H518 L520 C521	Y328-Y491 HydrophobicContact CD2-CE2 4.08Å; Y328-Y491 AromaticContact CE2-CE2 3.63Å; Y328-Y491 HydrophobicContact CE2-CE2 3.63Å; I332-Y491 HydrophobicContact CG2-CD2 3.71Å; I332-Y491 HydrophobicContact CG2-CE2 3.53Å; Q487-Y491 WeakPolarHBondContact O-CB 3.23Å; Q487-Y491 PolarHBondContact O-N 2.68Å; Y491-L493 PolarHBondContact O-N 2.91Å; Y491-S494 VanDerWaalsContact O-CB 3.24Å; Y491-S494 WeakPolarHBondContact O-CB 3.41Å; Y491-S494 PolarHBondContact O-N 2.79Å; Y491-S494 PolarHBondContact O-OG 2.76Å; Y491-H518 HydrophobicContact CD1-CB 3.75Å; Y491-H518 AromaticContact CD1-CD2 3.84Å; Y491-H518 AromaticContact CD1-CE1 3.86Å; Y491-H518 AromaticContact CD1-CG 3.45Å; Y491-H518 VanDerWaalsContact CD1-CG 3.45Å; Y491-H518 AromaticContact CD1-ND1 3.47Å; Y491-H518 WeakPolarHBondContact CD1-ND1 3.27Å; Y491-H518 HydrophobicContact CE1-CB 3.71Å; Y491-H518 AromaticContact CE1-CD2 3.95Å; Y491-H518 AromaticContact CE1-CG 3.74Å; Y491-L520 HydrophobicContact CE1-CB 4.47Å; Y491-L520 VanDerWaalsContact OH-CB 3.23Å; Y491-L520 WeakPolarHBondContact OH-CB 3.29Å; Y491-C521 HydrophobicContact CD1-CB 3.9Å; Y491-C521 HydrophobicContact CD2-CB 3.55Å; Y491-C521 HydrophobicContact CE1-CB 4.14Å; Y491-C521 HydrophobicContact CE2-CB 3.8Å; Y491-C521 HydrophobicContact CG-CB 3.6Å
492	R	96	Very high	94.6	Very high	58 Å²	58	55.2 Å²	55.2	22%	0.219	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.4	-21.7	178.9	64.8	177.5	-59.6	-75.5	2	114.2	A488 A489 L490 S494 G495 D496	A488-R492 WeakPolarHBondContact O-CG 3.41Å; A488-R492 PolarHBondContact O-N 3.2Å; A488-R492 VanDerWaalsContact O-N 3.1Å; A489-R492 WeakPolarHBondContact O-CG 3.48Å; L490-R492 VanDerWaalsContact C-N 3.31Å; L490-R492 PolarHBondContact O-N 3Å; R492-S494 PolarHBondContact O-N 2.78Å; R492-G495 PolarHBondContact O-N 2.92Å; R492-G495 VanDerWaalsContact O-N 3.14Å; R492-D496 WeakPolarHBondContact CA-O 3.38Å; R492-D496 WeakPolarHBondContact CB-O 3.31Å
493	L	95.9	Very high	94.5	Very high	108 Å²	108	53.4 Å²	53.4	57%	0.565	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18.3	175.2	-59.7	-178.1	0	0	0	112.4	T327 L490 Y491 G495	T327-L493 HydrophobicContact CG2-CB 3.83Å; L490-L493 HydrophobicContact CD1-CD1 4.36Å; L490-L493 WeakPolarHBondContact O-CB 3.41Å; L490-L493 PolarHBondContact O-N 3.38Å; L490-L493 VanDerWaalsContact O-N 3.1Å; Y491-L493 PolarHBondContact O-N 2.91Å; L493-G495 VanDerWaalsContact C-N 3.25Å; L493-G495 PolarHBondContact O-N 3.17Å
494	S	93.9	Very high	94.4	Very high	11 Å²	11	56.8 Å²	56.8	8%	0.077	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-72.1	-16.1	174.4	-40.2	0	0	0	0	113.2	Y328 L361 Y491 R492	Y328-S494 WeakPolarHBondContact CA-OG 3.37Å; L361-S494 WeakPolarHBondContact CD1-O 3.2Å; Y491-S494 VanDerWaalsContact O-CB 3.24Å; Y491-S494 WeakPolarHBondContact O-CB 3.41Å; Y491-S494 PolarHBondContact O-N 2.79Å; Y491-S494 PolarHBondContact O-OG 2.76Å; R492-S494 PolarHBondContact O-N 2.78Å
495	G	86.9	Confident	94.3	Very high	20 Å²	20	61 Å²	61	21%	0.206	32%	0.32	C	S	.	.	S	Bend	trans	146.9	-35.2	172.7	0	0	0	0	0	115.2	R492 L493 K497	R492-G495 PolarHBondContact O-N 2.92Å; R492-G495 VanDerWaalsContact O-N 3.14Å; L493-G495 VanDerWaalsContact C-N 3.25Å; L493-G495 PolarHBondContact O-N 3.17Å; G495-K497 PolarHBondContact O-N 2.88Å
496	D	87.7	Confident	93.9	Very high	14 Å²	14	56.8 Å²	56.8	8%	0.075	30%	0.301	C	S	.	.			trans	-78.3	94	-179.3	-173.6	-11.6	0	0	0	111.4	R492 N498 H518	R492-D496 WeakPolarHBondContact CA-O 3.38Å; R492-D496 WeakPolarHBondContact CB-O 3.31Å; D496-N498 VanDerWaalsContact C-N 3.33Å; D496-N498 VanDerWaalsContact OD1-CB 3.23Å; D496-N498 WeakPolarHBondContact OD1-CB 3.45Å; D496-N498 PolarHBondContact OD1-N 3.46Å; D496-H518 PolarHBondContact O-NE2 3.21Å; D496-H518 VanDerWaalsContact O-NE2 3.14Å; D496-H518 IonicContact OD2-CD2 2.68Å; D496-H518 PolarHBondContact OD2-CD2 2.88Å
497	K	88.8	Confident	93.7	Very high	147 Å²	147	51.1 Å²	51.1	64%	0.639	27%	0.271	S	S	*	.			trans	-88.7	11	-177.4	-65.9	-179	-176.5	173.7	0	114	G495	G495-K497 PolarHBondContact O-N 2.88Å
498	N	88	Confident	93.4	Very high	60 Å²	60	55.7 Å²	55.7	32%	0.321	30%	0.295	S	S	.	.			trans	-51.1	125.7	-177.8	-179.7	-18.6	0	0	0	111.1	M368 D496 L500 H501	M368-N498 HydrophobicContact CE-CB 4.37Å; D496-N498 VanDerWaalsContact C-N 3.33Å; D496-N498 VanDerWaalsContact OD1-CB 3.23Å; D496-N498 WeakPolarHBondContact OD1-CB 3.45Å; D496-N498 PolarHBondContact OD1-N 3.46Å; N498-L500 PolarHBondContact O-N 3.04Å; N498-L500 VanDerWaalsContact O-N 3.17Å; N498-L500 VanDerWaalsContact OD1-CB 3.28Å; N498-L500 WeakPolarHBondContact OD1-CB 3.31Å; N498-L500 PolarHBondContact OD1-N 3.01Å; N498-H501 PolarHBondContact O-N 3.27Å
499	P	91.5	Very high	92.9	Very high	56 Å²	56	62.1 Å²	62.1	36%	0.364	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.4	-19.1	-173.9	28	-37.6	0	0	0	113.8	H501 I502 D503 M506	P499-H501 PolarHBondContact O-N 3.35Å; P499-I502 PolarHBondContact O-N 3.3Å; P499-D503 HydrophobicContact CB-CB 4.22Å; P499-D503 WeakPolarHBondContact O-CB 3.11Å; P499-D503 PolarHBondContact O-N 2.8Å; P499-M506 HydrophobicContact CB-CB 4.17Å; P499-M506 HydrophobicContact CB-CG 3.87Å; P499-M506 HydrophobicContact CG-CB 4.45Å; P499-M506 HydrophobicContact CG-CE 4.33Å; P499-M506 HydrophobicContact CG-CG 4.11Å
500	L	91.1	Very high	92.3	Very high	34 Å²	34	62.4 Å²	62.4	18%	0.178	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-50.5	-28.3	173.3	178.4	59	0	0	0	113.4	N498 A510 F512 P515 I516	N498-L500 PolarHBondContact O-N 3.04Å; N498-L500 VanDerWaalsContact O-N 3.17Å; N498-L500 VanDerWaalsContact OD1-CB 3.28Å; N498-L500 WeakPolarHBondContact OD1-CB 3.31Å; N498-L500 PolarHBondContact OD1-N 3.01Å; L500-A510 HydrophobicContact CD1-CB 3.5Å; L500-F512 HydrophobicContact CD1-CD2 3.79Å; L500-F512 HydrophobicContact CD1-CE2 4.11Å; L500-P515 WeakPolarHBondContact O-CA 3.35Å; L500-I516 HydrophobicContact CD2-CD1 4.29Å; L500-I516 HydrophobicContact CG-CG1 4.25Å
501	H	94.6	Very high	91.9	Very high	16 Å²	16	62.7 Å²	62.7	7%	0.074	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-96.3	1.9	-174.8	-57.1	-60.4	0	0	0	114.3	A488 N498 P499 I516 H518	A488-H501 HydrophobicContact CB-CB 4.46Å; A488-H501 WeakPolarHBondContact CB-O 3.43Å; N498-H501 PolarHBondContact O-N 3.27Å; P499-H501 PolarHBondContact O-N 3.35Å; H501-I516 PolarHBondContact ND1-O 2.9Å; H501-H518 WeakPolarHBondContact CB-CE1 3.34Å; H501-H518 AromaticContact CD2-CD2 3.17Å; H501-H518 PolarHBondContact CD2-CD2 3.31Å; H501-H518 AromaticContact CD2-CE1 3.68Å; H501-H518 AromaticContact CD2-CG 3.71Å; H501-H518 AromaticContact CD2-NE2 3.17Å; H501-H518 PolarHBondContact CD2-NE2 3.08Å; H501-H518 AromaticContact CG-CD2 3.63Å; H501-H518 AromaticContact CG-CE1 3.43Å; H501-H518 VanDerWaalsContact CG-CE1 3.43Å; H501-H518 AromaticContact CG-CG 3.75Å; H501-H518 AromaticContact CG-ND1 3.65Å; H501-H518 AromaticContact CG-NE2 3.44Å; H501-H518 AromaticContact ND1-CG 3.96Å; H501-H518 AromaticContact NE2-CD2 3.54Å; H501-H518 AromaticContact NE2-CG 3.91Å
502	I	96	Very high	91.6	Very high	76 Å²	76	65.4 Å²	65.4	39%	0.39	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	-31.1	-178.1	-165.7	63.5	0	0	0	114.4	A489 P499 P504	A489-I502 HydrophobicContact CB-CD1 3.67Å; P499-I502 PolarHBondContact O-N 3.3Å; I502-P504 WeakPolarHBondContact O-CD 3.43Å
503	D	95.5	Very high	91.5	Very high	58 Å²	58	71.9 Å²	71.9	31%	0.31	39%	0.39	S	S	.	.			trans	-94.9	116.2	-176.3	-175.8	-19.7	0	0	0	110.6	P499 Q505 M506 A507	P499-D503 HydrophobicContact CB-CB 4.22Å; P499-D503 WeakPolarHBondContact O-CB 3.11Å; P499-D503 PolarHBondContact O-N 2.8Å; D503-Q505 VanDerWaalsContact C-N 3.27Å; D503-Q505 PolarHBondContact O-N 2.83Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.49Å; D503-Q505 PolarHBondContact OD1-N 2.97Å; D503-M506 HydrophobicContact CB-CB 4.04Å; D503-M506 HydrophobicContact CB-CG 3.99Å; D503-M506 PolarHBondContact O-N 2.94Å; D503-A507 PolarHBondContact O-N 2.88Å
504	P	95.9	Very high	91.5	Very high	77 Å²	77	69.8 Å²	69.8	50%	0.5	38%	0.382	S	S	.	.	H	α-helix	trans	-58.6	-33.6	177.9	-24.6	35.1	0	0	0	114.3	I502 A507 L508 P515	I502-P504 WeakPolarHBondContact O-CD 3.43Å; P504-A507 PolarHBondContact O-N 2.81Å; P504-L508 VanDerWaalsContact O-CG 3.31Å; P504-L508 WeakPolarHBondContact O-CG 3.34Å; P504-L508 PolarHBondContact O-N 3.43Å; P504-P515 HydrophobicContact CG-CG 4.48Å
505	Q	95	Very high	91.6	Very high	144 Å²	144	70.5 Å²	70.5	67%	0.673	39%	0.387	S	S	*	.	H	α-helix	trans	-70	-42.3	179.8	-61.9	-176.3	14.2	0	0	110.7	D503 A507 L508 L509	D503-Q505 VanDerWaalsContact C-N 3.27Å; D503-Q505 PolarHBondContact O-N 2.83Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.49Å; D503-Q505 PolarHBondContact OD1-N 2.97Å; Q505-A507 VanDerWaalsContact C-N 3.35Å; Q505-L508 PolarHBondContact O-N 3.37Å; Q505-L509 WeakPolarHBondContact O-CG 3.48Å; Q505-L509 PolarHBondContact O-N 2.85Å
506	M	89.5	Confident	92.1	Very high	78 Å²	78	70.4 Å²	70.4	38%	0.384	38%	0.381	S	S	.	.	H	α-helix	trans	-67.3	-36.7	176.3	-65.4	-57.1	-59.4	0	0	111.9	P499 D503 L509 A510	P499-M506 HydrophobicContact CB-CB 4.17Å; P499-M506 HydrophobicContact CB-CG 3.87Å; P499-M506 HydrophobicContact CG-CB 4.45Å; P499-M506 HydrophobicContact CG-CE 4.33Å; P499-M506 HydrophobicContact CG-CG 4.11Å; D503-M506 HydrophobicContact CB-CB 4.04Å; D503-M506 HydrophobicContact CB-CG 3.99Å; D503-M506 PolarHBondContact O-N 2.94Å; M506-L509 PolarHBondContact O-N 2.82Å; M506-L509 HydrophobicContact SD-CD1 4.01Å; M506-A510 WeakPolarHBondContact O-CB 3.42Å; M506-A510 PolarHBondContact O-N 2.97Å
507	A	91.9	Very high	92.6	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.1	-45.6	172.5	0	0	0	0	0	112.1	D503 P504 Q505 A510 G511 F512 P515	D503-A507 PolarHBondContact O-N 2.88Å; P504-A507 PolarHBondContact O-N 2.81Å; Q505-A507 VanDerWaalsContact C-N 3.35Å; A507-A510 CarbonylContact O-C 3.55Å; A507-A510 PolarHBondContact O-N 2.85Å; A507-G511 PolarHBondContact O-N 2.82Å; A507-F512 CarbonylContact C-O 3.56Å; A507-F512 HydrophobicContact CB-CB 4.37Å; A507-F512 WeakPolarHBondContact O-CA 3.47Å; A507-F512 PolarHBondContact O-N 2.83Å; A507-F512 VanDerWaalsContact O-O 3.06Å; A507-P515 HydrophobicContact CB-CG 4.24Å
508	L	92.1	Very high	92.9	Very high	110 Å²	110	63 Å²	63	58%	0.576	35%	0.349	S	S	*	.	H	α-helix	trans	-61.6	-44.3	176.6	-74.9	168.6	0	0	0	112.2	P504 Q505 A510 G511 F512	P504-L508 VanDerWaalsContact O-CG 3.31Å; P504-L508 WeakPolarHBondContact O-CG 3.34Å; P504-L508 PolarHBondContact O-N 3.43Å; Q505-L508 PolarHBondContact O-N 3.37Å; L508-A510 VanDerWaalsContact C-N 3.25Å; L508-A510 PolarHBondContact O-N 2.72Å; L508-G511 PolarHBondContact O-N 2.97Å; L508-F512 VanDerWaalsContact CA-O 3.23Å; L508-F512 WeakPolarHBondContact CA-O 3.5Å; L508-F512 PolarHBondContact N-O 3.44Å
509	L	87.4	Confident	93.3	Very high	139 Å²	139	61.5 Å²	61.5	73%	0.728	35%	0.347	S	S	*	.	H	α-helix	trans	-61.3	-34.8	175.7	-72.8	172.8	0	0	0	112.1	Q505 M506 G511	Q505-L509 WeakPolarHBondContact O-CG 3.48Å; Q505-L509 PolarHBondContact O-N 2.85Å; M506-L509 PolarHBondContact O-N 2.82Å; M506-L509 HydrophobicContact SD-CD1 4.01Å; L509-G511 PolarHBondContact O-N 2.87Å
510	A	85.2	Confident	93.5	Very high	39 Å²	39	59.3 Å²	59.3	32%	0.322	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.5	174.3	0	0	0	0	0	114.1	L500 M506 A507 L508 F512	L500-A510 HydrophobicContact CD1-CB 3.5Å; M506-A510 WeakPolarHBondContact O-CB 3.42Å; M506-A510 PolarHBondContact O-N 2.97Å; A507-A510 CarbonylContact O-C 3.55Å; A507-A510 PolarHBondContact O-N 2.85Å; L508-A510 VanDerWaalsContact C-N 3.25Å; L508-A510 PolarHBondContact O-N 2.72Å; A510-F512 HydrophobicContact CB-CD2 3.95Å; A510-F512 HydrophobicContact CB-CE2 4.19Å
511	G	89.3	Confident	93.9	Very high	69 Å²	69	57.7 Å²	57.7	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	12.3	177.1	0	0	0	0	0	115.5	A507 L508 L509	A507-G511 PolarHBondContact O-N 2.82Å; L508-G511 PolarHBondContact O-N 2.97Å; L509-G511 PolarHBondContact O-N 2.87Å
512	F	92.1	Very high	94.1	Very high	59 Å²	59	57.1 Å²	57.1	26%	0.259	32%	0.321	S	S	.	.			trans	-105.3	141.1	176.2	-57.1	-76.1	0	0	0	111.5	L500 A507 L508 A510 T514 I516 P552	L500-F512 HydrophobicContact CD1-CD2 3.79Å; L500-F512 HydrophobicContact CD1-CE2 4.11Å; A507-F512 CarbonylContact C-O 3.56Å; A507-F512 HydrophobicContact CB-CB 4.37Å; A507-F512 WeakPolarHBondContact O-CA 3.47Å; A507-F512 PolarHBondContact O-N 2.83Å; A507-F512 VanDerWaalsContact O-O 3.06Å; L508-F512 VanDerWaalsContact CA-O 3.23Å; L508-F512 WeakPolarHBondContact CA-O 3.5Å; L508-F512 PolarHBondContact N-O 3.44Å; A510-F512 HydrophobicContact CB-CD2 3.95Å; A510-F512 HydrophobicContact CB-CE2 4.19Å; F512-T514 VanDerWaalsContact C-N 3.27Å; F512-T514 WeakPolarHBondContact CB-O 3.49Å; F512-T514 PolarHBondContact O-N 3.01Å; F512-I516 HydrophobicContact CB-CG2 4.1Å; F512-I516 HydrophobicContact CD1-CG2 3.69Å; F512-I516 HydrophobicContact CD2-CD1 4.32Å; F512-I516 HydrophobicContact CD2-CG2 4.42Å; F512-I516 HydrophobicContact CE1-CD1 4.16Å; F512-I516 HydrophobicContact CE1-CG2 4.23Å; F512-I516 HydrophobicContact CE2-CD1 3.9Å; F512-I516 HydrophobicContact CG-CG2 3.8Å; F512-I516 HydrophobicContact CZ-CD1 3.81Å; F512-P552 HydrophobicContact CE1-CB 3.91Å; F512-P552 HydrophobicContact CE1-CG 3.91Å
513	K	93.6	Very high	94.2	Very high	195 Å²	195	53.6 Å²	53.6	85%	0.848	30%	0.303	S	S	*	.	S	Bend	trans	-69.2	-26.8	179.6	-66.6	-174.5	179.4	-177.1	0	113.3
514	T	95.6	Very high	94.3	Very high	63 Å²	63	50.8 Å²	50.8	39%	0.387	29%	0.288	S	S	.	.	S	Bend	trans	-145.8	160.1	-178.5	56	0	0	0	0	108.4	F512 I516	F512-T514 VanDerWaalsContact C-N 3.27Å; F512-T514 WeakPolarHBondContact CB-O 3.49Å; F512-T514 PolarHBondContact O-N 3.01Å; T514-I516 PolarHBondContact O-N 3.07Å
515	P	96.7	Very high	94.4	Very high	27 Å²	27	47.3 Å²	47.3	18%	0.175	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-51.5	139.7	169.6	-26.4	35.9	0	0	0	111.8	L500 P504 A507 P555	L500-P515 WeakPolarHBondContact O-CA 3.35Å; P504-P515 HydrophobicContact CG-CG 4.48Å; A507-P515 HydrophobicContact CB-CG 4.24Å; P515-P555 WeakPolarHBondContact O-CD 3.4Å
516	I	96.5	Very high	94.6	Very high	18 Å²	18	40.5 Å²	40.5	9%	0.092	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-104	157.3	179.7	62.5	169.2	0	0	0	110.4	L500 H501 F512 T514 P552 V553	L500-I516 HydrophobicContact CD2-CD1 4.29Å; L500-I516 HydrophobicContact CG-CG1 4.25Å; H501-I516 PolarHBondContact ND1-O 2.9Å; F512-I516 HydrophobicContact CB-CG2 4.1Å; F512-I516 HydrophobicContact CD1-CG2 3.69Å; F512-I516 HydrophobicContact CD2-CD1 4.32Å; F512-I516 HydrophobicContact CD2-CG2 4.42Å; F512-I516 HydrophobicContact CE1-CD1 4.16Å; F512-I516 HydrophobicContact CE1-CG2 4.23Å; F512-I516 HydrophobicContact CE2-CD1 3.9Å; F512-I516 HydrophobicContact CG-CG2 3.8Å; F512-I516 HydrophobicContact CZ-CD1 3.81Å; T514-I516 PolarHBondContact O-N 3.07Å; I516-P552 HydrophobicContact CB-CB 4.33Å; I516-P552 HydrophobicContact CD1-CB 3.92Å; I516-P552 HydrophobicContact CG2-CB 4.04Å; I516-V553 CarbonylContact C-O 3.43Å; I516-V553 WeakPolarHBondContact CA-O 3.4Å
517	L	97.6	Very high	95	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-69	143.6	173.5	-167.1	67.2	0	0	0	110.7	T483 Q487 A488 G519 C521 V553 P555	T483-L517 HydrophobicContact CG2-CD2 3.98Å; Q487-L517 HydrophobicContact CB-CD1 3.86Å; Q487-L517 HydrophobicContact CG-CD1 3.8Å; A488-L517 HydrophobicContact CB-CD1 4.04Å; L517-G519 PolarHBondContact O-N 2.95Å; L517-C521 HydrophobicContact CD1-CB 4.14Å; L517-C521 HydrophobicContact CD2-CB 4.37Å; L517-C521 HydrophobicContact CG-CB 3.98Å; L517-V553 HydrophobicContact CB-CB 4.01Å; L517-V553 HydrophobicContact CB-CG1 4.19Å; L517-V553 WeakPolarHBondContact CB-O 3.4Å; L517-V553 HydrophobicContact CD2-CB 4.28Å; L517-V553 HydrophobicContact CD2-CG1 3.93Å; L517-V553 PolarHBondContact N-O 2.77Å; L517-P555 HydrophobicContact CB-CG 4.4Å
518	H	95.9	Very high	95.3	Very high	2 Å²	2	37 Å²	37	1%	0.009	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-58.2	132.3	172	-55.6	72.7	0	0	0	110.5	Y491 D496 H501 L520 C521 T522	Y491-H518 HydrophobicContact CD1-CB 3.75Å; Y491-H518 AromaticContact CD1-CD2 3.84Å; Y491-H518 AromaticContact CD1-CE1 3.86Å; Y491-H518 AromaticContact CD1-CG 3.45Å; Y491-H518 VanDerWaalsContact CD1-CG 3.45Å; Y491-H518 AromaticContact CD1-ND1 3.47Å; Y491-H518 WeakPolarHBondContact CD1-ND1 3.27Å; Y491-H518 HydrophobicContact CE1-CB 3.71Å; Y491-H518 AromaticContact CE1-CD2 3.95Å; Y491-H518 AromaticContact CE1-CG 3.74Å; D496-H518 PolarHBondContact O-NE2 3.21Å; D496-H518 VanDerWaalsContact O-NE2 3.14Å; D496-H518 IonicContact OD2-CD2 2.68Å; D496-H518 PolarHBondContact OD2-CD2 2.88Å; H501-H518 WeakPolarHBondContact CB-CE1 3.34Å; H501-H518 AromaticContact CD2-CD2 3.17Å; H501-H518 PolarHBondContact CD2-CD2 3.31Å; H501-H518 AromaticContact CD2-CE1 3.68Å; H501-H518 AromaticContact CD2-CG 3.71Å; H501-H518 AromaticContact CD2-NE2 3.17Å; H501-H518 PolarHBondContact CD2-NE2 3.08Å; H501-H518 AromaticContact CG-CD2 3.63Å; H501-H518 AromaticContact CG-CE1 3.43Å; H501-H518 VanDerWaalsContact CG-CE1 3.43Å; H501-H518 AromaticContact CG-CG 3.75Å; H501-H518 AromaticContact CG-ND1 3.65Å; H501-H518 AromaticContact CG-NE2 3.44Å; H501-H518 AromaticContact ND1-CG 3.96Å; H501-H518 AromaticContact NE2-CD2 3.54Å; H501-H518 AromaticContact NE2-CG 3.91Å; H518-L520 PolarHBondContact O-N 2.88Å; H518-C521 HydrophobicContact CB-CB 3.96Å; H518-C521 WeakPolarHBondContact O-CA 3.3Å; H518-C521 VanDerWaalsContact O-CB 3.27Å; H518-C521 WeakPolarHBondContact O-CB 3.25Å; H518-C521 PolarHBondContact O-N 3.43Å; H518-T522 PolarHBondContact O-N 3.18Å
519	G	96.1	Very high	95.6	Very high	28 Å²	28	31.8 Å²	31.8	29%	0.289	19%	0.189	S	C	.	.	H	α-helix	trans	-55.1	-39.4	173.5	0	0	0	0	0	111.8	L517 C521 T522 L523 F549	L517-G519 PolarHBondContact O-N 2.95Å; G519-C521 VanDerWaalsContact C-N 3.3Å; G519-C521 PolarHBondContact O-N 2.93Å; G519-T522 WeakPolarHBondContact O-CB 3.44Å; G519-T522 PolarHBondContact O-N 3.49Å; G519-T522 VanDerWaalsContact O-N 3.16Å; G519-L523 PolarHBondContact O-N 2.87Å; G519-F549 WeakPolarHBondContact O-CE1 3.21Å
520	L	96.7	Very high	96.1	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-27.5	176.2	-66.7	173.5	0	0	0	114	V360 L364 Q393 Y491 H518 L523 G524 F549	V360-L520 HydrophobicContact CG1-CD1 4.12Å; V360-L520 HydrophobicContact CG1-CD2 3.94Å; L364-L520 HydrophobicContact CD1-CD1 4.27Å; L364-L520 HydrophobicContact CD2-CD1 3.38Å; L364-L520 HydrophobicContact CG-CD1 4.35Å; Q393-L520 HydrophobicContact CB-CD2 4.36Å; Q393-L520 HydrophobicContact CG-CD2 4.08Å; Y491-L520 HydrophobicContact CE1-CB 4.47Å; Y491-L520 VanDerWaalsContact OH-CB 3.23Å; Y491-L520 WeakPolarHBondContact OH-CB 3.29Å; H518-L520 PolarHBondContact O-N 2.88Å; L520-L523 HydrophobicContact CD2-CD2 3.95Å; L520-L523 WeakPolarHBondContact O-CB 3.43Å; L520-L523 PolarHBondContact O-N 2.74Å; L520-G524 PolarHBondContact O-N 3.31Å; L520-F549 HydrophobicContact CD2-CE2 4.43Å; L520-F549 HydrophobicContact CD2-CZ 3.94Å
521	C	98.2	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-48.5	170.1	-179.6	0	0	0	0	109.9	G331 Y491 L517 H518 G519 L523 G524 F525	G331-C521 PolarHBondContact O-SG 3.09Å; Y491-C521 HydrophobicContact CD1-CB 3.9Å; Y491-C521 HydrophobicContact CD2-CB 3.55Å; Y491-C521 HydrophobicContact CE1-CB 4.14Å; Y491-C521 HydrophobicContact CE2-CB 3.8Å; Y491-C521 HydrophobicContact CG-CB 3.6Å; L517-C521 HydrophobicContact CD1-CB 4.14Å; L517-C521 HydrophobicContact CD2-CB 4.37Å; L517-C521 HydrophobicContact CG-CB 3.98Å; H518-C521 HydrophobicContact CB-CB 3.96Å; H518-C521 WeakPolarHBondContact O-CA 3.3Å; H518-C521 VanDerWaalsContact O-CB 3.27Å; H518-C521 WeakPolarHBondContact O-CB 3.25Å; H518-C521 PolarHBondContact O-N 3.43Å; G519-C521 VanDerWaalsContact C-N 3.3Å; G519-C521 PolarHBondContact O-N 2.93Å; C521-L523 VanDerWaalsContact C-N 3.28Å; C521-L523 PolarHBondContact O-N 2.95Å; C521-G524 WeakPolarHBondContact O-CA 3.32Å; C521-G524 PolarHBondContact O-N 2.88Å; C521-F525 WeakPolarHBondContact O-CD2 3.17Å; C521-F525 PolarHBondContact O-N 3.26Å; C521-F525 VanDerWaalsContact O-N 3.09Å
522	T	98.4	Very high	96.9	Very high	4 Å²	4	22 Å²	22	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-55.7	-42.9	174	-50.5	0	0	0	0	111.6	H518 G519 G524 F525 S526 V553 L559 T574 V583 I584	H518-T522 PolarHBondContact O-N 3.18Å; G519-T522 WeakPolarHBondContact O-CB 3.44Å; G519-T522 PolarHBondContact O-N 3.49Å; G519-T522 VanDerWaalsContact O-N 3.16Å; T522-G524 VanDerWaalsContact C-N 3.33Å; T522-G524 PolarHBondContact O-N 2.83Å; T522-F525 WeakPolarHBondContact O-CB 3.33Å; T522-F525 PolarHBondContact O-N 3.01Å; T522-S526 PolarHBondContact O-N 2.86Å; T522-S526 PolarHBondContact O-OG 2.8Å; T522-V553 HydrophobicContact CG2-CG2 4.2Å; T522-L559 HydrophobicContact CG2-CD1 4Å; T522-L559 HydrophobicContact CG2-CD2 4.05Å; T522-T574 HydrophobicContact CG2-CG2 3.97Å; T522-V583 HydrophobicContact CG2-CG2 4.07Å; T522-I584 HydrophobicContact CG2-CD1 3.67Å; T522-I584 HydrophobicContact CG2-CG1 4.12Å
523	L	98.5	Very high	97.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-56.6	-45.8	173.2	169.6	63	0	0	0	111.7	T357 Q393 G519 L520 C521 F525 S526 V527 V545 V547 F549 F572 I584	T357-L523 HydrophobicContact CG2-CG 4.3Å; Q393-L523 HydrophobicContact CB-CD2 4.4Å; Q393-L523 HydrophobicContact CG-CD2 4.19Å; G519-L523 PolarHBondContact O-N 2.87Å; L520-L523 HydrophobicContact CD2-CD2 3.95Å; L520-L523 WeakPolarHBondContact O-CB 3.43Å; L520-L523 PolarHBondContact O-N 2.74Å; C521-L523 VanDerWaalsContact C-N 3.28Å; C521-L523 PolarHBondContact O-N 2.95Å; L523-F525 PolarHBondContact O-N 3.49Å; L523-S526 PolarHBondContact O-N 2.92Å; L523-S526 VanDerWaalsContact O-N 3.15Å; L523-V527 HydrophobicContact CD1-CG2 3.81Å; L523-V527 HydrophobicContact CG-CG2 4.39Å; L523-V527 WeakPolarHBondContact O-CG2 3.02Å; L523-V527 PolarHBondContact O-N 3.29Å; L523-V545 HydrophobicContact CD1-CG1 4.5Å; L523-V545 HydrophobicContact CD1-CG2 3.89Å; L523-V547 HydrophobicContact CD1-CB 4.47Å; L523-V547 HydrophobicContact CD1-CG1 3.5Å; L523-V547 HydrophobicContact CD1-CG2 4.12Å; L523-V547 HydrophobicContact CD2-CG2 4.39Å; L523-F549 HydrophobicContact CB-CE1 4.13Å; L523-F549 HydrophobicContact CB-CZ 4.26Å; L523-F549 HydrophobicContact CD2-CZ 4.37Å; L523-F572 HydrophobicContact CD1-CZ 4.31Å; L523-I584 HydrophobicContact CB-CD1 4.35Å
524	G	98.3	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-44.8	177.6	0	0	0	0	0	112.8	L520 C521 T522 S526 V527 R528	L520-G524 PolarHBondContact O-N 3.31Å; C521-G524 WeakPolarHBondContact O-CA 3.32Å; C521-G524 PolarHBondContact O-N 2.88Å; T522-G524 VanDerWaalsContact C-N 3.33Å; T522-G524 PolarHBondContact O-N 2.83Å; G524-S526 VanDerWaalsContact C-N 3.35Å; G524-S526 PolarHBondContact O-N 2.97Å; G524-V527 PolarHBondContact O-N 2.82Å; G524-R528 WeakPolarHBondContact O-CB 3.33Å; G524-R528 WeakPolarHBondContact O-CG 3.1Å; G524-R528 PolarHBondContact O-N 3.15Å
525	F	98.6	Very high	97.2	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-58.2	-45.1	172.8	-83.2	-85.6	0	0	0	112.2	I332 Y481 T483 Q487 C521 T522 L523 R528 A529 L559	I332-F525 WeakPolarHBondContact O-CE1 3.36Å; Y481-F525 HydrophobicContact CD1-CD1 4.22Å; Y481-F525 HydrophobicContact CD1-CE1 4.47Å; Y481-F525 HydrophobicContact CD2-CB 4.41Å; Y481-F525 AromaticContact CD2-CD1 3.87Å; Y481-F525 HydrophobicContact CD2-CD1 3.87Å; Y481-F525 AromaticContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CE1 4.14Å; T483-F525 HydrophobicContact CG2-CE2 4.11Å; T483-F525 HydrophobicContact CG2-CZ 4.12Å; Q487-F525 HydrophobicContact CG-CE2 4.15Å; Q487-F525 HydrophobicContact CG-CZ 4.38Å; C521-F525 WeakPolarHBondContact O-CD2 3.17Å; C521-F525 PolarHBondContact O-N 3.26Å; C521-F525 VanDerWaalsContact O-N 3.09Å; T522-F525 WeakPolarHBondContact O-CB 3.33Å; T522-F525 PolarHBondContact O-N 3.01Å; L523-F525 PolarHBondContact O-N 3.49Å; F525-R528 PolarHBondContact O-N 3.47Å; F525-A529 PolarHBondContact O-N 3.29Å; F525-L559 HydrophobicContact CB-CD1 3.87Å; F525-L559 HydrophobicContact CD2-CD1 4.06Å; F525-L559 HydrophobicContact CG-CD1 3.92Å
526	S	98.6	Very high	97	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.1	-41.6	-179.4	-47.8	0	0	0	0	112.8	T522 L523 G524 R528 A529 V530 T574	T522-S526 PolarHBondContact O-N 2.86Å; T522-S526 PolarHBondContact O-OG 2.8Å; L523-S526 PolarHBondContact O-N 2.92Å; L523-S526 VanDerWaalsContact O-N 3.15Å; G524-S526 VanDerWaalsContact C-N 3.35Å; G524-S526 PolarHBondContact O-N 2.97Å; S526-R528 VanDerWaalsContact C-N 3.34Å; S526-A529 VanDerWaalsContact O-CB 3.27Å; S526-A529 WeakPolarHBondContact O-CB 3.42Å; S526-A529 PolarHBondContact O-N 3.34Å; S526-V530 PolarHBondContact O-N 2.93Å; S526-V530 VanDerWaalsContact O-N 3.15Å; S526-T574 PolarHBondContact OG-OG1 2.67Å
527	V	98.3	Very high	96.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.7	-38.5	175.6	174.9	0	0	0	0	111	T357 L523 G524 A529 V530 L531 F542 V545 V589	T357-V527 HydrophobicContact CG2-CB 3.89Å; T357-V527 HydrophobicContact CG2-CG1 4.03Å; T357-V527 HydrophobicContact CG2-CG2 3.58Å; L523-V527 HydrophobicContact CD1-CG2 3.81Å; L523-V527 HydrophobicContact CG-CG2 4.39Å; L523-V527 WeakPolarHBondContact O-CG2 3.02Å; L523-V527 PolarHBondContact O-N 3.29Å; G524-V527 PolarHBondContact O-N 2.82Å; V527-A529 VanDerWaalsContact C-N 3.3Å; V527-A529 PolarHBondContact O-N 3.5Å; V527-V530 WeakPolarHBondContact O-CB 3.18Å; V527-V530 PolarHBondContact O-N 3.29Å; V527-V530 VanDerWaalsContact O-N 3.12Å; V527-L531 HydrophobicContact CG1-CD1 4.19Å; V527-L531 HydrophobicContact CG1-CG 4.24Å; V527-L531 WeakPolarHBondContact O-CG 3.31Å; V527-L531 PolarHBondContact O-N 2.92Å; V527-F542 HydrophobicContact CG1-CD2 4.05Å; V527-F542 HydrophobicContact CG1-CE2 3.78Å; V527-V545 HydrophobicContact CG2-CB 4.41Å; V527-V545 HydrophobicContact CG2-CG2 3.95Å; V527-V589 HydrophobicContact CG2-CG2 4.16Å
528	R	97.5	Very high	96.8	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-38.8	172.2	-76.4	-175.5	64.5	-123.7	-5.6	112.6	I332 G333 D341 I355 G524 F525 S526 V530 L531 A532	I332-R528 HydrophobicContact CD1-CG 3.99Å; I332-R528 PolarHBondContact O-NH1 3.41Å; G333-R528 PolarHBondContact O-NH1 2.82Å; D341-R528 IonicContact OD1-CZ 3.3Å; D341-R528 IonicContact OD1-NE 2.83Å; D341-R528 IonicContact OD1-NH2 2.88Å; D341-R528 PolarHBondContact OD1-NH2 3.07Å; D341-R528 IonicContact OD2-CZ 2.87Å; D341-R528 IonicContact OD2-NH2 3.31Å; D341-R528 PolarHBondContact OD2-NH2 2.98Å; I355-R528 HydrophobicContact CD1-CG 4.19Å; G524-R528 WeakPolarHBondContact O-CB 3.33Å; G524-R528 WeakPolarHBondContact O-CG 3.1Å; G524-R528 PolarHBondContact O-N 3.15Å; F525-R528 PolarHBondContact O-N 3.47Å; S526-R528 VanDerWaalsContact C-N 3.34Å; R528-V530 VanDerWaalsContact C-N 3.31Å; R528-V530 PolarHBondContact O-N 3.12Å; R528-L531 PolarHBondContact O-N 3.32Å; R528-A532 VanDerWaalsContact O-CB 3.28Å; R528-A532 WeakPolarHBondContact O-CB 3.23Å; R528-A532 PolarHBondContact O-N 2.83Å
529	A	97.8	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.4	-44.5	172.4	0	0	0	0	0	112	V479 Y481 F525 S526 V527 Q533 V561 L563	V479-A529 HydrophobicContact CB-CB 4.07Å; V479-A529 HydrophobicContact CG1-CB 4.35Å; V479-A529 HydrophobicContact CG2-CB 4.26Å; Y481-A529 HydrophobicContact CE2-CB 3.98Å; F525-A529 PolarHBondContact O-N 3.29Å; S526-A529 VanDerWaalsContact O-CB 3.27Å; S526-A529 WeakPolarHBondContact O-CB 3.42Å; S526-A529 PolarHBondContact O-N 3.34Å; V527-A529 VanDerWaalsContact C-N 3.3Å; V527-A529 PolarHBondContact O-N 3.5Å; A529-Q533 VanDerWaalsContact O-CB 3.26Å; A529-Q533 WeakPolarHBondContact O-CB 3.32Å; A529-Q533 PolarHBondContact O-N 2.97Å; A529-V561 HydrophobicContact CB-CB 3.96Å; A529-V561 HydrophobicContact CB-CG1 3.93Å; A529-V561 HydrophobicContact CB-CG2 4.13Å; A529-L563 HydrophobicContact CB-CD1 4.31Å
530	V	97.9	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-47	177.1	175.5	0	0	0	0	111.3	S526 V527 R528 Q533 F534 L563 I570 F572 V589	S526-V530 PolarHBondContact O-N 2.93Å; S526-V530 VanDerWaalsContact O-N 3.15Å; V527-V530 WeakPolarHBondContact O-CB 3.18Å; V527-V530 PolarHBondContact O-N 3.29Å; V527-V530 VanDerWaalsContact O-N 3.12Å; R528-V530 VanDerWaalsContact C-N 3.31Å; R528-V530 PolarHBondContact O-N 3.12Å; V530-Q533 PolarHBondContact O-N 2.62Å; V530-F534 HydrophobicContact CG1-CD2 4.34Å; V530-F534 PolarHBondContact O-N 3.22Å; V530-L563 HydrophobicContact CG2-CD2 3.72Å; V530-I570 HydrophobicContact CG1-CB 4Å; V530-I570 HydrophobicContact CG1-CG1 3.93Å; V530-I570 HydrophobicContact CG1-CG2 4.17Å; V530-I570 HydrophobicContact CG2-CB 4.49Å; V530-I570 HydrophobicContact CG2-CG2 4.07Å; V530-F572 HydrophobicContact CG2-CD1 4.49Å; V530-V589 HydrophobicContact CB-CB 4.49Å; V530-V589 HydrophobicContact CB-CG2 4.23Å; V530-V589 HydrophobicContact CG1-CB 3.92Å; V530-V589 HydrophobicContact CG1-CG1 3.91Å; V530-V589 HydrophobicContact CG1-CG2 4.2Å; V530-V589 HydrophobicContact CG2-CB 4.35Å; V530-V589 HydrophobicContact CG2-CG2 3.94Å
531	L	96.5	Very high	96.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-45.4	-179.5	-70.6	177.4	0	0	0	111.4	V527 R528 Q533 A535 D536 N537 F542	V527-L531 HydrophobicContact CG1-CD1 4.19Å; V527-L531 HydrophobicContact CG1-CG 4.24Å; V527-L531 WeakPolarHBondContact O-CG 3.31Å; V527-L531 PolarHBondContact O-N 2.92Å; R528-L531 PolarHBondContact O-N 3.32Å; L531-Q533 PolarHBondContact O-N 2.82Å; L531-A535 HydrophobicContact CD2-CB 3.95Å; L531-A535 CarbonylContact O-C 3.56Å; L531-A535 VanDerWaalsContact O-C 3.28Å; L531-A535 WeakPolarHBondContact O-CA 3.3Å; L531-A535 WeakPolarHBondContact O-CB 3.17Å; L531-A535 PolarHBondContact O-N 3.19Å; L531-D536 PolarHBondContact O-N 2.84Å; L531-D536 VanDerWaalsContact O-N 3.09Å; L531-N537 PolarHBondContact O-N 2.9Å; L531-F542 HydrophobicContact CD2-CB 4.34Å
532	A	95.3	Very high	96.6	Very high	41 Å²	41	18 Å²	18	34%	0.339	11%	0.107	S	C	.	.	H	α-helix	trans	-62.4	-42.5	178.5	0	0	0	0	0	111.9	R528 N537	R528-A532 VanDerWaalsContact O-CB 3.28Å; R528-A532 WeakPolarHBondContact O-CB 3.23Å; R528-A532 PolarHBondContact O-N 2.83Å; A532-N537 VanDerWaalsContact CA-OD1 3.26Å; A532-N537 WeakPolarHBondContact CA-OD1 3.37Å; A532-N537 PolarHBondContact N-OD1 2.92Å
533	Q	96.2	Very high	96.6	Very high	81 Å²	81	22.3 Å²	22.3	38%	0.379	13%	0.125	S	C	.	.	H	α-helix	trans	-82.5	-35.6	-174	-171.2	62	39.5	0	0	113.9	A477 A529 V530 L531 L563	A477-Q533 HydrophobicContact CB-CG 3.68Å; A529-Q533 VanDerWaalsContact O-CB 3.26Å; A529-Q533 WeakPolarHBondContact O-CB 3.32Å; A529-Q533 PolarHBondContact O-N 2.97Å; V530-Q533 PolarHBondContact O-N 2.62Å; L531-Q533 PolarHBondContact O-N 2.82Å; Q533-L563 HydrophobicContact CB-CD1 4.06Å; Q533-L563 HydrophobicContact CG-CD1 4.28Å
534	F	96.6	Very high	96.6	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-123.6	-8.1	-168	-60.3	-69.8	0	0	0	115.2	A477 V530 L563 K565 I570 L591 A596	A477-F534 HydrophobicContact CB-CZ 4.31Å; V530-F534 HydrophobicContact CG1-CD2 4.34Å; V530-F534 PolarHBondContact O-N 3.22Å; F534-L563 HydrophobicContact CD2-CD1 4.4Å; F534-L563 HydrophobicContact CE2-CB 3.76Å; F534-L563 HydrophobicContact CE2-CD1 3.71Å; F534-L563 HydrophobicContact CE2-CG 4.29Å; F534-L563 HydrophobicContact CZ-CB 4.25Å; F534-K565 HydrophobicContact CD1-CD 4.01Å; F534-K565 HydrophobicContact CE1-CB 4.04Å; F534-K565 HydrophobicContact CE1-CD 4.03Å; F534-K565 HydrophobicContact CZ-CB 4.34Å; F534-I570 HydrophobicContact CB-CD1 4.21Å; F534-I570 HydrophobicContact CB-CG1 4.32Å; F534-I570 HydrophobicContact CD1-CD1 4.16Å; F534-I570 HydrophobicContact CD2-CB 4.48Å; F534-I570 HydrophobicContact CD2-CD1 3.96Å; F534-I570 HydrophobicContact CD2-CG1 3.97Å; F534-I570 HydrophobicContact CD2-CG2 3.73Å; F534-I570 HydrophobicContact CE2-CD1 4.36Å; F534-I570 HydrophobicContact CE2-CG2 3.62Å; F534-I570 HydrophobicContact CG-CD1 3.84Å; F534-I570 HydrophobicContact CG-CG1 4.18Å; F534-I570 HydrophobicContact CZ-CG2 4.48Å; F534-L591 HydrophobicContact CB-CD1 3.93Å; F534-A596 HydrophobicContact CD1-CB 4.34Å
535	A	95	Very high	96.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	13%	0.125	C	C	.	.	S	Bend	trans	-129.8	9.8	-178	0	0	0	0	0	113.9	L531 N537 N538 L541 L591	L531-A535 HydrophobicContact CD2-CB 3.95Å; L531-A535 CarbonylContact O-C 3.56Å; L531-A535 VanDerWaalsContact O-C 3.28Å; L531-A535 WeakPolarHBondContact O-CA 3.3Å; L531-A535 WeakPolarHBondContact O-CB 3.17Å; L531-A535 PolarHBondContact O-N 3.19Å; A535-N537 PolarHBondContact O-N 3.2Å; A535-N538 VanDerWaalsContact O-CB 3.26Å; A535-N538 WeakPolarHBondContact O-CB 3.14Å; A535-N538 PolarHBondContact O-N 3.3Å; A535-L541 HydrophobicContact CB-CB 4.12Å; A535-L541 HydrophobicContact CB-CD1 4.04Å; A535-L591 HydrophobicContact CB-CD2 4.46Å
536	D	92.8	Very high	96.6	Very high	81 Å²	81	22.1 Å²	22.1	43%	0.433	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	38.5	-176.7	-164.8	38.2	0	0	0	113.4	K340 R343 L531 N538	K340-D536 IonicContact NZ-OD1 3.87Å; K340-D536 PolarHBondContact NZ-OD1 3.38Å; R343-D536 PolarHBondContact NH1-O 2.94Å; L531-D536 PolarHBondContact O-N 2.84Å; L531-D536 VanDerWaalsContact O-N 3.09Å; D536-N538 PolarHBondContact O-N 3.19Å
537	N	94.3	Very high	96.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	14.8	-171.9	-89.9	-7.3	0	0	0	114.8	K340 R343 F344 L531 A532 A535 P539	K340-N537 HydrophobicContact CB-CB 4.41Å; K340-N537 VanDerWaalsContact CB-ND2 3.34Å; K340-N537 WeakPolarHBondContact CB-ND2 3.46Å; K340-N537 PolarHBondContact O-ND2 2.74Å; K340-N537 VanDerWaalsContact O-ND2 3.09Å; R343-N537 WeakPolarHBondContact CD-O 3.12Å; R343-N537 PolarHBondContact NH1-O 2.93Å; F344-N537 HydrophobicContact CE2-CB 4.27Å; F344-N537 HydrophobicContact CZ-CB 4.42Å; F344-N537 VanDerWaalsContact CZ-O 3.3Å; F344-N537 WeakPolarHBondContact CZ-O 3.32Å; L531-N537 PolarHBondContact O-N 2.9Å; A532-N537 VanDerWaalsContact CA-OD1 3.26Å; A532-N537 WeakPolarHBondContact CA-OD1 3.37Å; A532-N537 PolarHBondContact N-OD1 2.92Å; A535-N537 PolarHBondContact O-N 3.2Å; N537-P539 WeakPolarHBondContact O-CD 3.38Å
538	N	94.8	Very high	96.6	Very high	65 Å²	65	27.5 Å²	27.5	35%	0.348	15%	0.145	S	C	.	.			trans	-81.9	107.4	178.1	-176.9	-10.2	0	0	0	109.7	A535 D536 A540 L541	A535-N538 VanDerWaalsContact O-CB 3.26Å; A535-N538 WeakPolarHBondContact O-CB 3.14Å; A535-N538 PolarHBondContact O-N 3.3Å; D536-N538 PolarHBondContact O-N 3.19Å; N538-A540 PolarHBondContact O-N 3.3Å; N538-A540 VanDerWaalsContact OD1-CB 3.28Å; N538-A540 WeakPolarHBondContact OD1-CB 3.37Å; N538-A540 PolarHBondContact OD1-N 3.35Å; N538-L541 HydrophobicContact CB-CD1 4.31Å; N538-L541 HydrophobicContact CB-CG 4.29Å; N538-L541 PolarHBondContact O-N 3.15Å
539	P	95.5	Very high	96.6	Very high	17 Å²	17	28.8 Å²	28.8	11%	0.11	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-68.8	-21.8	-177.7	31.3	-36.8	0	0	0	112.8	F344 A353 A354 P356 N537 L541 F542	F344-P539 HydrophobicContact CE1-CB 4.36Å; F344-P539 HydrophobicContact CE1-CG 4.02Å; A353-P539 HydrophobicContact CB-CG 3.52Å; A354-P539 WeakPolarHBondContact O-CB 3.24Å; P356-P539 HydrophobicContact CG-CB 3.96Å; N537-P539 WeakPolarHBondContact O-CD 3.38Å; P539-L541 PolarHBondContact O-N 3.16Å; P539-L541 VanDerWaalsContact O-N 3.16Å; P539-F542 WeakPolarHBondContact O-CB 3.32Å; P539-F542 PolarHBondContact O-N 2.79Å
540	A	94.4	Very high	96.5	Very high	52 Å²	52	31.4 Å²	31.4	43%	0.43	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-65	-19.9	178.8	0	0	0	0	0	112.9	N538 F542 K592	N538-A540 PolarHBondContact O-N 3.3Å; N538-A540 VanDerWaalsContact OD1-CB 3.28Å; N538-A540 WeakPolarHBondContact OD1-CB 3.37Å; N538-A540 PolarHBondContact OD1-N 3.35Å; A540-F542 VanDerWaalsContact C-N 3.35Å; A540-K592 VanDerWaalsContact O-CD 3.32Å; A540-K592 WeakPolarHBondContact O-CD 3.35Å; A540-K592 WeakPolarHBondContact O-CE 3.22Å; A540-K592 PolarHBondContact O-NZ 2.82Å
541	L	96	Very high	96.3	Very high	20 Å²	20	32.9 Å²	32.9	11%	0.105	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-79.9	-13.8	173.7	-65.1	-176.3	0	0	0	113.3	A535 N538 P539 L591 K592 S593	A535-L541 HydrophobicContact CB-CB 4.12Å; A535-L541 HydrophobicContact CB-CD1 4.04Å; N538-L541 HydrophobicContact CB-CD1 4.31Å; N538-L541 HydrophobicContact CB-CG 4.29Å; N538-L541 PolarHBondContact O-N 3.15Å; P539-L541 PolarHBondContact O-N 3.16Å; P539-L541 VanDerWaalsContact O-N 3.16Å; L541-L591 CarbonylContact O-C 3.56Å; L541-L591 VanDerWaalsContact O-CA 3.22Å; L541-L591 WeakPolarHBondContact O-CA 3.37Å; L541-K592 PolarHBondContact O-N 2.72Å; L541-S593 WeakPolarHBondContact CD2-OG 3.21Å
542	F	97.9	Very high	96.3	Very high	1 Å²	1	36 Å²	36	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.2	174	-176.8	-86.2	0	0	0	110.4	P356 L395 I397 V527 L531 P539 A540 A544 V545 V589 K592	P356-F542 HydrophobicContact CB-CB 4.3Å; P356-F542 HydrophobicContact CB-CD1 3.5Å; P356-F542 VanDerWaalsContact CB-CD1 3.5Å; P356-F542 HydrophobicContact CB-CD2 4.28Å; P356-F542 HydrophobicContact CB-CE1 3.76Å; P356-F542 HydrophobicContact CB-CE2 4.49Å; P356-F542 HydrophobicContact CB-CG 3.78Å; P356-F542 HydrophobicContact CB-CZ 4.24Å; P356-F542 HydrophobicContact CG-CB 3.65Å; P356-F542 HydrophobicContact CG-CD1 3.83Å; P356-F542 HydrophobicContact CG-CD2 4.24Å; P356-F542 HydrophobicContact CG-CG 3.65Å; L395-F542 HydrophobicContact CD2-CE1 4.24Å; L395-F542 HydrophobicContact CD2-CZ 4.32Å; I397-F542 HydrophobicContact CB-CD1 4.44Å; I397-F542 HydrophobicContact CD1-CE1 4.5Å; I397-F542 HydrophobicContact CG1-CD1 3.59Å; I397-F542 HydrophobicContact CG1-CE1 3.75Å; V527-F542 HydrophobicContact CG1-CD2 4.05Å; V527-F542 HydrophobicContact CG1-CE2 3.78Å; L531-F542 HydrophobicContact CD2-CB 4.34Å; P539-F542 WeakPolarHBondContact O-CB 3.32Å; P539-F542 PolarHBondContact O-N 2.79Å; A540-F542 VanDerWaalsContact C-N 3.35Å; F542-A544 VanDerWaalsContact CZ-C 3.44Å; F542-V545 HydrophobicContact CE2-CB 3.99Å; F542-V545 HydrophobicContact CE2-CG1 4.34Å; F542-V545 HydrophobicContact CZ-CB 3.72Å; F542-V545 HydrophobicContact CZ-CG1 3.74Å; F542-V589 HydrophobicContact CD2-CG1 3.8Å; F542-V589 HydrophobicContact CE2-CG1 3.78Å; F542-V589 HydrophobicContact CE2-CG2 4.4Å; F542-K592 WeakPolarHBondContact O-CE 3.47Å
543	K	98	Very high	96.4	Very high	95 Å²	95	34.1 Å²	34.1	41%	0.413	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-57.2	172.7	-177.1	-179.6	176.3	-179.6	0	111.3	E396 I397 D590 K592	E396-K543 WeakPolarHBondContact CA-O 3.34Å; I397-K543 PolarHBondContact N-O 2.96Å; K543-D590 WeakPolarHBondContact CA-O 3.31Å; K543-D590 HydrophobicContact CB-CB 4.31Å; K543-D590 VanDerWaalsContact CB-O 3.31Å; K543-D590 WeakPolarHBondContact CB-O 3.39Å; K543-D590 PolarHBondContact N-O 3.16Å; K543-K592 HydrophobicContact CB-CG 4.01Å
544	A	98.5	Very high	96.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160.8	-177.1	0	0	0	0	0	112.2	Y394 L395 E396 F542 V589 D590	Y394-A544 HydrophobicContact CE2-CB 3.89Å; L395-A544 CarbonylContact O-C 3.53Å; L395-A544 WeakPolarHBondContact O-CA 3.38Å; L395-A544 WeakPolarHBondContact O-CB 3.38Å; E396-A544 HydrophobicContact CB-CB 4.16Å; E396-A544 HydrophobicContact CG-CB 4.32Å; F542-A544 VanDerWaalsContact CZ-C 3.44Å; A544-V589 CarbonylContact O-C 3.6Å; A544-V589 VanDerWaalsContact O-CA 3.31Å; A544-V589 WeakPolarHBondContact O-CA 3.49Å; A544-D590 HydrophobicContact CB-CB 4.41Å; A544-D590 PolarHBondContact N-O 2.96Å; A544-D590 PolarHBondContact O-N 2.84Å
545	V	98.7	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.7	169.6	65.3	0	0	0	0	110	Y394 L395 L523 V527 F542 V547 F572 Y588 V589	Y394-V545 CarbonylContact C-O 3.53Å; Y394-V545 VanDerWaalsContact CA-O 3.25Å; Y394-V545 WeakPolarHBondContact CA-O 3.23Å; Y394-V545 VanDerWaalsContact CD2-O 3.3Å; Y394-V545 WeakPolarHBondContact CD2-O 3.33Å; L395-V545 HydrophobicContact CB-CG1 3.97Å; L395-V545 HydrophobicContact CD2-CG1 4.46Å; L395-V545 PolarHBondContact N-O 3.34Å; L395-V545 PolarHBondContact O-N 2.71Å; L523-V545 HydrophobicContact CD1-CG1 4.5Å; L523-V545 HydrophobicContact CD1-CG2 3.89Å; V527-V545 HydrophobicContact CG2-CB 4.41Å; V527-V545 HydrophobicContact CG2-CG2 3.95Å; F542-V545 HydrophobicContact CE2-CB 3.99Å; F542-V545 HydrophobicContact CE2-CG1 4.34Å; F542-V545 HydrophobicContact CZ-CB 3.72Å; F542-V545 HydrophobicContact CZ-CG1 3.74Å; V545-V547 HydrophobicContact CG2-CG1 4.01Å; V545-F572 HydrophobicContact CG2-CE1 4.03Å; V545-F572 HydrophobicContact CG2-CZ 4.14Å; V545-Y588 WeakPolarHBondContact CA-O 3.43Å; V545-Y588 WeakPolarHBondContact CG2-O 3.49Å; V545-V589 HydrophobicContact CB-CG2 4.12Å; V545-V589 HydrophobicContact CG2-CG2 3.74Å
546	K	98.6	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.2	169.1	179.7	71.5	-171	-164.4	0	109.1	E392 Q393 Y394 V465 L467 A587 Y588	E392-K546 WeakPolarHBondContact OE2-CE 3.28Å; E392-K546 IonicContact OE2-NZ 3.81Å; E392-K546 PolarHBondContact OE2-NZ 2.75Å; Q393-K546 CarbonylContact O-C 3.13Å; Q393-K546 VanDerWaalsContact O-CA 3.31Å; Q393-K546 WeakPolarHBondContact O-CA 3.32Å; Y394-K546 HydrophobicContact CD2-CB 4.12Å; Y394-K546 HydrophobicContact CD2-CD 4.3Å; V465-K546 HydrophobicContact CB-CD 4.28Å; V465-K546 HydrophobicContact CG1-CD 4.14Å; V465-K546 HydrophobicContact CG1-CG 4.43Å; V465-K546 WeakPolarHBondContact O-CE 3.44Å; V465-K546 PolarHBondContact O-NZ 3.13Å; L467-K546 HydrophobicContact CD2-CG 3.97Å; K546-A587 CarbonylContact O-C 3.59Å; K546-A587 WeakPolarHBondContact O-CA 3.31Å; K546-Y588 HydrophobicContact CB-CD1 4.19Å; K546-Y588 HydrophobicContact CB-CD2 4.42Å; K546-Y588 HydrophobicContact CB-CE1 3.61Å; K546-Y588 HydrophobicContact CB-CE2 3.86Å; K546-Y588 VanDerWaalsContact CB-CZ 3.42Å; K546-Y588 HydrophobicContact CG-CE1 3.95Å; K546-Y588 PolarHBondContact N-O 3.2Å; K546-Y588 PolarHBondContact O-N 3.16Å
547	V	98.6	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.4	175.9	-55.3	0	0	0	0	113	E392 Q393 L523 V545 F549 F572 I584 A587	E392-V547 VanDerWaalsContact CA-O 3.22Å; E392-V547 WeakPolarHBondContact CA-O 3.34Å; E392-V547 VanDerWaalsContact CB-O 3.31Å; E392-V547 WeakPolarHBondContact CB-O 3.42Å; Q393-V547 HydrophobicContact CB-CG2 4.03Å; Q393-V547 PolarHBondContact N-O 3.16Å; Q393-V547 VanDerWaalsContact N-O 3.08Å; Q393-V547 PolarHBondContact O-N 2.73Å; L523-V547 HydrophobicContact CD1-CB 4.47Å; L523-V547 HydrophobicContact CD1-CG1 3.5Å; L523-V547 HydrophobicContact CD1-CG2 4.12Å; L523-V547 HydrophobicContact CD2-CG2 4.39Å; V545-V547 HydrophobicContact CG2-CG1 4.01Å; V547-F549 HydrophobicContact CG2-CE1 3.95Å; V547-F549 HydrophobicContact CG2-CE2 3.83Å; V547-F549 HydrophobicContact CG2-CZ 3.52Å; V547-F572 HydrophobicContact CG1-CE1 4.16Å; V547-F572 HydrophobicContact CG1-CE2 4.07Å; V547-F572 HydrophobicContact CG1-CZ 3.38Å; V547-I584 HydrophobicContact CB-CG2 3.89Å; V547-I584 HydrophobicContact CG1-CG2 3.96Å; V547-A587 HydrophobicContact CB-CB 4.04Å; V547-A587 HydrophobicContact CG1-CB 3.66Å
548	R	98	Very high	97.2	Very high	113 Å²	113	34.3 Å²	34.3	43%	0.426	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134	158	175.3	174.8	-72.2	-125.1	0.3	109.9	G391 E392 L467 I584 S585	G391-R548 WeakPolarHBondContact O-CA 3.48Å; E392-R548 HydrophobicContact CG-CB 4.31Å; E392-R548 HydrophobicContact CG-CG 4.49Å; E392-R548 IonicContact OE1-CZ 2.91Å; E392-R548 IonicContact OE1-NE 2.73Å; E392-R548 PolarHBondContact OE1-NE 3.42Å; E392-R548 IonicContact OE1-NH2 3.85Å; E392-R548 PolarHBondContact OE1-NH2 3.24Å; L467-R548 HydrophobicContact CD1-CB 3.82Å; L467-R548 HydrophobicContact CD1-CG 4.49Å; L467-R548 HydrophobicContact CD2-CB 3.82Å; R548-I584 WeakPolarHBondContact O-CA 3.49Å; R548-S585 WeakPolarHBondContact CB-O 2.75Å; R548-S585 PolarHBondContact N-O 2.83Å; R548-S585 PolarHBondContact O-N 3.47Å
549	F	97.2	Very high	97.3	Very high	32 Å²	32	31.2 Å²	31.2	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.6	168.9	-57.7	-71.1	0	0	0	108.6	H390 G391 Q393 G519 L520 L523 V547 I584	H390-F549 AromaticContact CD2-CD2 3.68Å; H390-F549 AromaticContact CD2-CE2 3.37Å; H390-F549 WeakPolarHBondContact CD2-CE2 3.15Å; H390-F549 AromaticContact NE2-CE2 3.98Å; H390-F549 VanDerWaalsContact O-CD2 3.32Å; H390-F549 WeakPolarHBondContact O-CD2 3.24Å; G391-F549 PolarHBondContact O-N 3.16Å; Q393-F549 HydrophobicContact CB-CE2 3.89Å; Q393-F549 HydrophobicContact CB-CZ 4.2Å; G519-F549 WeakPolarHBondContact O-CE1 3.21Å; L520-F549 HydrophobicContact CD2-CE2 4.43Å; L520-F549 HydrophobicContact CD2-CZ 3.94Å; L523-F549 HydrophobicContact CB-CE1 4.13Å; L523-F549 HydrophobicContact CB-CZ 4.26Å; L523-F549 HydrophobicContact CD2-CZ 4.37Å; V547-F549 HydrophobicContact CG2-CE1 3.95Å; V547-F549 HydrophobicContact CG2-CE2 3.83Å; V547-F549 HydrophobicContact CG2-CZ 3.52Å; F549-I584 HydrophobicContact CD1-CD1 4.5Å; F549-I584 HydrophobicContact CD1-CG1 4.18Å; F549-I584 HydrophobicContact CE1-CD1 4.23Å; F549-I584 HydrophobicContact CE1-CG1 4.38Å
550	S	95.5	Very high	97.5	Very high	55 Å²	55	33.6 Å²	33.6	39%	0.385	19%	0.189	S	C	.	.			trans	-104.6	-11.5	-173.1	56.1	0	0	0	0	113.9	E582 V583 I584	S550-E582 VanDerWaalsContact OG-C 3.29Å; S550-E582 PolarHBondContact OG-O 3.43Å; S550-V583 PolarHBondContact N-O 2.94Å; S550-V583 WeakPolarHBondContact OG-CA 3.13Å; S550-V583 PolarHBondContact OG-N 2.89Å; S550-V583 PolarHBondContact OG-O 2.58Å; S550-I584 PolarHBondContact OG-N 2.65Å
551	G	94.7	Very high	97.7	Very high	31 Å²	31	31.1 Å²	31.1	32%	0.32	17%	0.169	S	C	.	.	S	Bend	trans	-171.7	164.7	179	0	0	0	0	0	113.4
552	P	95.4	Very high	97.8	Very high	67 Å²	67	30.3 Å²	30.3	44%	0.435	17%	0.165	S	C	.	.			trans	-79.8	156.3	179.2	35.3	-38.2	0	0	0	112	F512 I516 V583	F512-P552 HydrophobicContact CE1-CB 3.91Å; F512-P552 HydrophobicContact CE1-CG 3.91Å; I516-P552 HydrophobicContact CB-CB 4.33Å; I516-P552 HydrophobicContact CD1-CB 3.92Å; I516-P552 HydrophobicContact CG2-CB 4.04Å; P552-V583 WeakPolarHBondContact O-CG1 3.24Å
553	V	98	Very high	97.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.164	C	C	.	.			trans	-117.8	136.6	168.9	176.1	0	0	0	0	107.6	I516 L517 T522 Q557 L559 V576 V583	I516-V553 CarbonylContact C-O 3.43Å; I516-V553 WeakPolarHBondContact CA-O 3.4Å; L517-V553 HydrophobicContact CB-CB 4.01Å; L517-V553 HydrophobicContact CB-CG1 4.19Å; L517-V553 WeakPolarHBondContact CB-O 3.4Å; L517-V553 HydrophobicContact CD2-CB 4.28Å; L517-V553 HydrophobicContact CD2-CG1 3.93Å; L517-V553 PolarHBondContact N-O 2.77Å; T522-V553 HydrophobicContact CG2-CG2 4.2Å; V553-Q557 HydrophobicContact CG1-CB 4.39Å; V553-L559 HydrophobicContact CB-CD2 4.48Å; V553-L559 HydrophobicContact CG1-CD2 3.85Å; V553-L559 HydrophobicContact CG2-CD2 3.76Å; V553-V576 HydrophobicContact CG1-CG2 4.42Å; V553-V576 HydrophobicContact CG2-CG2 3.91Å; V553-V583 HydrophobicContact CG2-CB 3.92Å; V553-V583 HydrophobicContact CG2-CG1 3.83Å; V553-V583 HydrophobicContact CG2-CG2 3.75Å
554	I	97.8	Very high	97.9	Very high	73 Å²	73	26 Å²	26	37%	0.374	15%	0.146	S	C	.	.			trans	-91.7	129.5	171.5	-57.3	175	0	0	0	107.6	G556 Q557	I554-G556 PolarHBondContact O-N 2.82Å; I554-Q557 HydrophobicContact CB-CG 4.12Å; I554-Q557 VanDerWaalsContact O-CB 3.22Å; I554-Q557 WeakPolarHBondContact O-CB 3.34Å; I554-Q557 VanDerWaalsContact O-CG 3.29Å; I554-Q557 WeakPolarHBondContact O-CG 3.29Å; I554-Q557 PolarHBondContact O-N 2.73Å; I554-Q557 VanDerWaalsContact O-N 3.09Å
555	P	97.9	Very high	97.8	Very high	24 Å²	24	27.7 Å²	27.7	16%	0.156	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	140.2	173.1	-26.5	35.7	0	0	0	111.8	S484 E485 A488 P515 L517	S484-P555 WeakPolarHBondContact O-CB 3.48Å; E485-P555 VanDerWaalsContact O-CB 3.23Å; E485-P555 WeakPolarHBondContact O-CB 3.47Å; A488-P555 HydrophobicContact CB-CG 3.95Å; P515-P555 WeakPolarHBondContact O-CD 3.4Å; L517-P555 HydrophobicContact CB-CG 4.4Å
556	G	97.7	Very high	97.5	Very high	27 Å²	27	31.9 Å²	31.9	28%	0.278	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-19.7	-170.8	0	0	0	0	0	114	T483 S484 I554	T483-G556 WeakPolarHBondContact O-CA 3.34Å; T483-G556 PolarHBondContact O-N 3.4Å; T483-G556 PolarHBondContact OG1-N 3.05Å; S484-G556 PolarHBondContact O-N 3.48Å; S484-G556 VanDerWaalsContact O-N 3.13Å; I554-G556 PolarHBondContact O-N 2.82Å
557	Q	98.4	Very high	97.3	Very high	29 Å²	29	34.4 Å²	34.4	14%	0.136	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-75	158.5	177.2	-70.1	-176.4	-38.7	0	0	112.8	T483 V553 I554 V576	T483-Q557 PolarHBondContact N-O 3.48Å; T483-Q557 PolarHBondContact OG1-N 3.39Å; T483-Q557 PolarHBondContact OG1-O 2.73Å; V553-Q557 HydrophobicContact CG1-CB 4.39Å; I554-Q557 HydrophobicContact CB-CG 4.12Å; I554-Q557 VanDerWaalsContact O-CB 3.22Å; I554-Q557 WeakPolarHBondContact O-CB 3.34Å; I554-Q557 VanDerWaalsContact O-CG 3.29Å; I554-Q557 WeakPolarHBondContact O-CG 3.29Å; I554-Q557 PolarHBondContact O-N 2.73Å; I554-Q557 VanDerWaalsContact O-N 3.09Å; Q557-V576 HydrophobicContact CB-CG1 4.07Å; Q557-V576 HydrophobicContact CG-CG1 4.2Å
558	T	98.7	Very high	97.2	Very high	17 Å²	17	37.6 Å²	37.6	10%	0.104	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.2	179.3	-52.3	0	0	0	0	111	Q480 Y481 T482 V576 V577 E578	Q480-T558 HydrophobicContact CB-CG2 4.24Å; Y481-T558 CarbonylContact O-C 3.35Å; Y481-T558 WeakPolarHBondContact O-CA 3.4Å; T482-T558 PolarHBondContact OG1-OG1 2.89Å; T558-V576 WeakPolarHBondContact O-CA 3.37Å; T558-V577 HydrophobicContact CG2-CB 4.37Å; T558-V577 HydrophobicContact CG2-CG2 3.82Å; T558-V577 PolarHBondContact O-N 3.02Å; T558-E578 WeakPolarHBondContact CB-OE1 3.37Å; T558-E578 VanDerWaalsContact N-CD 3.32Å; T558-E578 PolarHBondContact N-OE1 2.85Å; T558-E578 PolarHBondContact N-OE2 2.96Å; T558-E578 PolarHBondContact OG1-OE1 3.49Å
559	L	98.7	Very high	97.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.8	173.1	-59.1	178.4	0	0	0	109.4	Q480 Y481 T483 T522 F525 V553 T574 V576 V583	Q480-L559 CarbonylContact C-O 3.57Å; Q480-L559 VanDerWaalsContact CA-O 3.23Å; Q480-L559 WeakPolarHBondContact CA-O 3.01Å; Y481-L559 PolarHBondContact N-O 3.47Å; Y481-L559 PolarHBondContact O-N 3.35Å; T483-L559 HydrophobicContact CG2-CD1 3.92Å; T483-L559 HydrophobicContact CG2-CG 4.13Å; T522-L559 HydrophobicContact CG2-CD1 4Å; T522-L559 HydrophobicContact CG2-CD2 4.05Å; F525-L559 HydrophobicContact CB-CD1 3.87Å; F525-L559 HydrophobicContact CD2-CD1 4.06Å; F525-L559 HydrophobicContact CG-CD1 3.92Å; V553-L559 HydrophobicContact CB-CD2 4.48Å; V553-L559 HydrophobicContact CG1-CD2 3.85Å; V553-L559 HydrophobicContact CG2-CD2 3.76Å; L559-T574 HydrophobicContact CB-CG2 4.07Å; L559-T574 HydrophobicContact CD2-CG2 4.05Å; L559-T574 HydrophobicContact CG-CG2 4.5Å; L559-V576 HydrophobicContact CD2-CG2 4.42Å; L559-V583 HydrophobicContact CD2-CG2 4.5Å
560	R	98.6	Very high	97.2	Very high	68 Å²	68	34.1 Å²	34.1	26%	0.257	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.4	166.2	-172.6	-174.3	86.7	-142.4	-5.1	109.5	T478 V479 Q480 D562 T574 V575 V577	T478-R560 HydrophobicContact CG2-CG 3.38Å; V479-R560 CarbonylContact O-C 3.55Å; V479-R560 WeakPolarHBondContact O-CA 3.35Å; Q480-R560 HydrophobicContact CG-CB 4.06Å; Q480-R560 HydrophobicContact CG-CG 3.92Å; R560-D562 IonicContact CZ-OD1 3.61Å; R560-D562 IonicContact CZ-OD2 2.97Å; R560-D562 IonicContact NE-OD1 2.73Å; R560-D562 PolarHBondContact NE-OD1 2.59Å; R560-D562 IonicContact NE-OD2 3.45Å; R560-D562 PolarHBondContact NE-OD2 3.29Å; R560-D562 IonicContact NH2-OD1 2.75Å; R560-D562 IonicContact NH2-OD2 3.47Å; R560-D562 PolarHBondContact NH2-OD2 3.25Å; R560-T574 CarbonylContact O-C 3.55Å; R560-T574 WeakPolarHBondContact O-CA 3.35Å; R560-V575 PolarHBondContact N-O 2.86Å; R560-V575 PolarHBondContact O-N 2.85Å; R560-V577 HydrophobicContact CB-CG2 3.73Å
561	V	98.6	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.7	178.2	-166.4	0	0	0	0	108.2	T478 V479 A529 L563 F572 R573 T574	T478-V561 WeakPolarHBondContact CA-O 3.48Å; V479-V561 PolarHBondContact N-O 3.23Å; V479-V561 PolarHBondContact O-N 3.06Å; A529-V561 HydrophobicContact CB-CB 3.96Å; A529-V561 HydrophobicContact CB-CG1 3.93Å; A529-V561 HydrophobicContact CB-CG2 4.13Å; V561-L563 HydrophobicContact CG1-CD2 3.59Å; V561-L563 HydrophobicContact CG1-CG 4.31Å; V561-F572 HydrophobicContact CG1-CB 4.37Å; V561-F572 HydrophobicContact CG1-CD2 4.33Å; V561-R573 WeakPolarHBondContact CA-O 3.26Å; V561-T574 HydrophobicContact CG2-CG2 4.23Å
562	D	98.6	Very high	97.5	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133	174.8	-62.8	-28.9	0	0	0	108.4	P475 T478 R560 W564 F572 R573	P475-D562 HydrophobicContact CB-CB 4.05Å; P475-D562 HydrophobicContact CG-CB 3.73Å; T478-D562 WeakPolarHBondContact CG2-OD1 3.4Å; T478-D562 PolarHBondContact OG1-OD1 3.42Å; R560-D562 IonicContact CZ-OD1 3.61Å; R560-D562 IonicContact CZ-OD2 2.97Å; R560-D562 IonicContact NE-OD1 2.73Å; R560-D562 PolarHBondContact NE-OD1 2.59Å; R560-D562 IonicContact NE-OD2 3.45Å; R560-D562 PolarHBondContact NE-OD2 3.29Å; R560-D562 IonicContact NH2-OD1 2.75Å; R560-D562 IonicContact NH2-OD2 3.47Å; R560-D562 PolarHBondContact NH2-OD2 3.25Å; D562-W564 HydrophobicContact CB-CH2 3.47Å; D562-W564 VanDerWaalsContact CB-CH2 3.47Å; D562-W564 HydrophobicContact CB-CZ2 4.3Å; D562-W564 HydrophobicContact CB-CZ3 3.69Å; D562-W564 WeakPolarHBondContact O-CZ3 3.18Å; D562-F572 WeakPolarHBondContact O-CA 3.44Å; D562-F572 WeakPolarHBondContact O-CB 3.29Å; D562-R573 HydrophobicContact CB-CG 3.93Å; D562-R573 PolarHBondContact N-O 2.82Å; D562-R573 PolarHBondContact O-N 2.85Å; D562-R573 IonicContact OD2-CZ 2.71Å; D562-R573 VanDerWaalsContact OD2-CZ 3.3Å; D562-R573 IonicContact OD2-NE 3.58Å; D562-R573 PolarHBondContact OD2-NE 2.81Å; D562-R573 IonicContact OD2-NH2 3.34Å; D562-R573 PolarHBondContact OD2-NH2 2.96Å
563	L	98.5	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.6	-169.5	-53.6	173.1	0	0	0	111.5	P475 D476 A477 V479 A529 V530 Q533 F534 V561 I570 N571 F572	P475-L563 CarbonylContact C-O 3.57Å; P475-L563 WeakPolarHBondContact CA-O 3.18Å; D476-L563 PolarHBondContact N-O 2.95Å; A477-L563 HydrophobicContact CB-CB 4.38Å; A477-L563 HydrophobicContact CB-CD1 4.3Å; A477-L563 PolarHBondContact N-O 3.16Å; A477-L563 WeakPolarHBondContact O-CB 3.4Å; A477-L563 PolarHBondContact O-N 3.07Å; V479-L563 HydrophobicContact CG2-CD1 4.23Å; A529-L563 HydrophobicContact CB-CD1 4.31Å; V530-L563 HydrophobicContact CG2-CD2 3.72Å; Q533-L563 HydrophobicContact CB-CD1 4.06Å; Q533-L563 HydrophobicContact CG-CD1 4.28Å; F534-L563 HydrophobicContact CD2-CD1 4.4Å; F534-L563 HydrophobicContact CE2-CB 3.76Å; F534-L563 HydrophobicContact CE2-CD1 3.71Å; F534-L563 HydrophobicContact CE2-CG 4.29Å; F534-L563 HydrophobicContact CZ-CB 4.25Å; V561-L563 HydrophobicContact CG1-CD2 3.59Å; V561-L563 HydrophobicContact CG1-CG 4.31Å; L563-I570 HydrophobicContact CB-CG2 4.29Å; L563-I570 HydrophobicContact CD2-CG2 4.43Å; L563-N571 WeakPolarHBondContact CA-O 3.31Å; L563-F572 HydrophobicContact CD2-CB 3.53Å
564	W	98.3	Very high	97.7	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.2	175.1	-61.3	-103.3	0	0	0	110.8	A470 P471 R473 Q474 P475 D476 D562 I570 N571 R573	A470-W564 HydrophobicContact CB-CE3 4.37Å; A470-W564 HydrophobicContact CB-CH2 4.11Å; A470-W564 HydrophobicContact CB-CZ2 4.47Å; A470-W564 HydrophobicContact CB-CZ3 4.05Å; P471-W564 HydrophobicContact CB-CG 4.2Å; P471-W564 HydrophobicContact CG-CB 3.73Å; P471-W564 HydrophobicContact CG-CG 3.83Å; R473-W564 PolarHBondContact O-NE1 2.9Å; Q474-W564 VanDerWaalsContact C-NE1 3.33Å; Q474-W564 PolarHBondContact O-NE1 3.16Å; P475-W564 HydrophobicContact CB-CD2 4.44Å; P475-W564 HydrophobicContact CB-CZ2 4.12Å; P475-W564 HydrophobicContact CG-CH2 4.12Å; P475-W564 HydrophobicContact CG-CZ2 3.6Å; D476-W564 VanDerWaalsContact OD2-CA 3.29Å; D476-W564 WeakPolarHBondContact OD2-CA 3.3Å; D562-W564 HydrophobicContact CB-CH2 3.47Å; D562-W564 VanDerWaalsContact CB-CH2 3.47Å; D562-W564 HydrophobicContact CB-CZ2 4.3Å; D562-W564 HydrophobicContact CB-CZ3 3.69Å; D562-W564 WeakPolarHBondContact O-CZ3 3.18Å; W564-I570 CarbonylContact O-C 3.59Å; W564-I570 WeakPolarHBondContact O-CA 3.15Å; W564-N571 HydrophobicContact CB-CB 4.33Å; W564-N571 PolarHBondContact N-O 2.72Å; W564-N571 PolarHBondContact O-N 3.05Å; W564-R573 HydrophobicContact CH2-CG 3.8Å; W564-R573 HydrophobicContact CZ3-CB 4.46Å; W564-R573 HydrophobicContact CZ3-CG 3.88Å
565	K	96.3	Very high	97.7	Very high	37 Å²	37	27.2 Å²	27.2	16%	0.161	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.9	176.3	-177.3	170.6	-178.6	174.3	0	110.7	R473 D476 F534 G567 I570 S594 A596	R473-K565 PolarHBondContact NH2-O 2.98Å; R473-K565 VanDerWaalsContact NH2-O 3.16Å; D476-K565 PolarHBondContact OD2-N 2.91Å; F534-K565 HydrophobicContact CD1-CD 4.01Å; F534-K565 HydrophobicContact CE1-CB 4.04Å; F534-K565 HydrophobicContact CE1-CD 4.03Å; F534-K565 HydrophobicContact CZ-CB 4.34Å; K565-G567 VanDerWaalsContact CE-O 3.27Å; K565-G567 WeakPolarHBondContact CE-O 3.18Å; K565-I570 HydrophobicContact CB-CD1 3.84Å; K565-I570 HydrophobicContact CD-CD1 4.26Å; K565-I570 HydrophobicContact CG-CD1 3.66Å; K565-S594 VanDerWaalsContact CE-OG 3.29Å; K565-S594 WeakPolarHBondContact CE-OG 3.31Å; K565-S594 PolarHBondContact NZ-OG 2.78Å; K565-A596 PolarHBondContact NZ-O 2.93Å
566	Q	94.2	Very high	97.7	Very high	88 Å²	88	26.1 Å²	26.1	41%	0.411	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	81.8	174	-64.9	-166.7	83.9	0	0	109	T568 R569 N571	Q566-T568 PolarHBondContact O-N 3.33Å; Q566-R569 CarbonylContact C-O 3.41Å; Q566-R569 WeakPolarHBondContact CA-O 3.22Å; Q566-R569 PolarHBondContact N-O 3.06Å; Q566-R569 PolarHBondContact O-N 3.08Å; Q566-R569 VanDerWaalsContact O-N 3.16Å; Q566-N571 PolarHBondContact NE2-OD1 3.32Å
567	G	93.5	Very high	97.8	Very high	53 Å²	53	27.8 Å²	27.8	55%	0.546	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-122.8	-171.1	0	0	0	0	0	111.1	K565	K565-G567 VanDerWaalsContact CE-O 3.27Å; K565-G567 WeakPolarHBondContact CE-O 3.18Å
568	T	96	Very high	97.8	Very high	67 Å²	67	31.1 Å²	31.1	41%	0.411	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.9	175.4	55.8	0	0	0	0	113.8	Q566 L591	Q566-T568 PolarHBondContact O-N 3.33Å; T568-L591 WeakPolarHBondContact CB-O 3.4Å; T568-L591 PolarHBondContact O-N 3.37Å
569	R	97.6	Very high	97.7	Very high	72 Å²	72	33.8 Å²	33.8	27%	0.272	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.8	173.6	-178.8	166.2	-70.5	-169.2	-6.7	110.3	Q566 Y588 D590	Q566-R569 CarbonylContact C-O 3.41Å; Q566-R569 WeakPolarHBondContact CA-O 3.22Å; Q566-R569 PolarHBondContact N-O 3.06Å; Q566-R569 PolarHBondContact O-N 3.08Å; Q566-R569 VanDerWaalsContact O-N 3.16Å; R569-Y588 HydrophobicContact CG-CD2 4.34Å; R569-Y588 HydrophobicContact CG-CG 4.36Å; R569-D590 WeakPolarHBondContact CB-OD1 3.44Å; R569-D590 WeakPolarHBondContact CG-OD1 3.43Å; R569-D590 IonicContact CZ-OD1 3.49Å; R569-D590 IonicContact CZ-OD2 2.74Å; R569-D590 IonicContact NE-OD1 3.42Å; R569-D590 PolarHBondContact NE-OD1 2.91Å; R569-D590 IonicContact NE-OD2 3.9Å; R569-D590 IonicContact NH2-OD1 3.16Å; R569-D590 PolarHBondContact NH2-OD1 2.84Å; R569-D590 IonicContact NH2-OD2 3.41Å; R569-D590 PolarHBondContact NH2-OD2 2.85Å
570	I	98.1	Very high	97.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	103.9	174.6	-47.4	-57	0	0	0	107.9	V530 F534 L563 W564 K565 Y588 V589 L591	V530-I570 HydrophobicContact CG1-CB 4Å; V530-I570 HydrophobicContact CG1-CG1 3.93Å; V530-I570 HydrophobicContact CG1-CG2 4.17Å; V530-I570 HydrophobicContact CG2-CB 4.49Å; V530-I570 HydrophobicContact CG2-CG2 4.07Å; F534-I570 HydrophobicContact CB-CD1 4.21Å; F534-I570 HydrophobicContact CB-CG1 4.32Å; F534-I570 HydrophobicContact CD1-CD1 4.16Å; F534-I570 HydrophobicContact CD2-CB 4.48Å; F534-I570 HydrophobicContact CD2-CD1 3.96Å; F534-I570 HydrophobicContact CD2-CG1 3.97Å; F534-I570 HydrophobicContact CD2-CG2 3.73Å; F534-I570 HydrophobicContact CE2-CD1 4.36Å; F534-I570 HydrophobicContact CE2-CG2 3.62Å; F534-I570 HydrophobicContact CG-CD1 3.84Å; F534-I570 HydrophobicContact CG-CG1 4.18Å; F534-I570 HydrophobicContact CZ-CG2 4.48Å; L563-I570 HydrophobicContact CB-CG2 4.29Å; L563-I570 HydrophobicContact CD2-CG2 4.43Å; W564-I570 CarbonylContact O-C 3.59Å; W564-I570 WeakPolarHBondContact O-CA 3.15Å; K565-I570 HydrophobicContact CB-CD1 3.84Å; K565-I570 HydrophobicContact CD-CD1 4.26Å; K565-I570 HydrophobicContact CG-CD1 3.66Å; I570-Y588 CarbonylContact O-C 3.48Å; I570-Y588 WeakPolarHBondContact O-CA 3.16Å; I570-V589 PolarHBondContact N-O 2.68Å; I570-V589 PolarHBondContact O-N 2.87Å; I570-L591 HydrophobicContact CD1-CD1 4.49Å; I570-L591 HydrophobicContact CG1-CD1 4.02Å; I570-L591 HydrophobicContact CG1-CG 4.44Å
571	N	98.5	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	146.5	169.5	-69.5	87.7	0	0	0	109.4	Q468 P471 L563 W564 Q566 A587	Q468-N571 PolarHBondContact OE1-ND2 3.03Å; P471-N571 HydrophobicContact CG-CB 4.49Å; L563-N571 WeakPolarHBondContact CA-O 3.31Å; W564-N571 HydrophobicContact CB-CB 4.33Å; W564-N571 PolarHBondContact N-O 2.72Å; W564-N571 PolarHBondContact O-N 3.05Å; Q566-N571 PolarHBondContact NE2-OD1 3.32Å; N571-A587 WeakPolarHBondContact CA-O 3.29Å
572	F	98.5	Very high	97.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.7	175.4	69.8	-85	0	0	0	112.4	L523 V530 V545 V547 V561 D562 L563 I584 A587 V589	L523-F572 HydrophobicContact CD1-CZ 4.31Å; V530-F572 HydrophobicContact CG2-CD1 4.49Å; V545-F572 HydrophobicContact CG2-CE1 4.03Å; V545-F572 HydrophobicContact CG2-CZ 4.14Å; V547-F572 HydrophobicContact CG1-CE1 4.16Å; V547-F572 HydrophobicContact CG1-CE2 4.07Å; V547-F572 HydrophobicContact CG1-CZ 3.38Å; V561-F572 HydrophobicContact CG1-CB 4.37Å; V561-F572 HydrophobicContact CG1-CD2 4.33Å; D562-F572 WeakPolarHBondContact O-CA 3.44Å; D562-F572 WeakPolarHBondContact O-CB 3.29Å; L563-F572 HydrophobicContact CD2-CB 3.53Å; F572-I584 HydrophobicContact CD2-CG2 4.35Å; F572-I584 HydrophobicContact CE2-CG2 3.72Å; F572-I584 HydrophobicContact CZ-CG2 4.43Å; F572-A587 HydrophobicContact CD1-CB 3.98Å; F572-A587 HydrophobicContact CD2-CB 4.02Å; F572-A587 HydrophobicContact CE1-CB 3.71Å; F572-A587 HydrophobicContact CE2-CB 3.78Å; F572-A587 HydrophobicContact CG-CB 4.14Å; F572-A587 HydrophobicContact CZ-CB 3.65Å; F572-A587 PolarHBondContact N-O 2.77Å; F572-A587 WeakPolarHBondContact O-CB 2.95Å; F572-V589 HydrophobicContact CD1-CG2 4.27Å; F572-V589 HydrophobicContact CE1-CG2 3.8Å
573	R	98.2	Very high	97.5	Very high	73 Å²	73	43.9 Å²	43.9	28%	0.275	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.3	163.5	69.6	177.7	178.7	-159.5	-7.6	108.7	V561 D562 W564 V575 E582 I584	V561-R573 WeakPolarHBondContact CA-O 3.26Å; D562-R573 HydrophobicContact CB-CG 3.93Å; D562-R573 PolarHBondContact N-O 2.82Å; D562-R573 PolarHBondContact O-N 2.85Å; D562-R573 IonicContact OD2-CZ 2.71Å; D562-R573 VanDerWaalsContact OD2-CZ 3.3Å; D562-R573 IonicContact OD2-NE 3.58Å; D562-R573 PolarHBondContact OD2-NE 2.81Å; D562-R573 IonicContact OD2-NH2 3.34Å; D562-R573 PolarHBondContact OD2-NH2 2.96Å; W564-R573 HydrophobicContact CH2-CG 3.8Å; W564-R573 HydrophobicContact CZ3-CB 4.46Å; W564-R573 HydrophobicContact CZ3-CG 3.88Å; R573-V575 HydrophobicContact CG-CG2 4.46Å; R573-E582 VanDerWaalsContact CD-OE2 3.29Å; R573-E582 WeakPolarHBondContact CD-OE2 3.38Å; R573-I584 WeakPolarHBondContact CA-O 3.49Å
574	T	98.6	Very high	97.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.7	175.4	-50.3	0	0	0	0	109.7	T522 S526 L559 R560 V561 V583 I584	T522-T574 HydrophobicContact CG2-CG2 3.97Å; S526-T574 PolarHBondContact OG-OG1 2.67Å; L559-T574 HydrophobicContact CB-CG2 4.07Å; L559-T574 HydrophobicContact CD2-CG2 4.05Å; L559-T574 HydrophobicContact CG-CG2 4.5Å; R560-T574 CarbonylContact O-C 3.55Å; R560-T574 WeakPolarHBondContact O-CA 3.35Å; V561-T574 HydrophobicContact CG2-CG2 4.23Å; T574-V583 HydrophobicContact CG2-CG2 3.9Å; T574-V583 WeakPolarHBondContact O-CG2 3.41Å; T574-V583 PolarHBondContact O-N 2.87Å; T574-I584 PolarHBondContact N-O 2.79Å; T574-I584 PolarHBondContact O-N 3.25Å
575	V	98.5	Very high	97.5	Very high	8 Å²	8	44.6 Å²	44.6	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.2	-176.6	177.1	0	0	0	0	108.9	R560 R573 V577 K581 E582	R560-V575 PolarHBondContact N-O 2.86Å; R560-V575 PolarHBondContact O-N 2.85Å; R573-V575 HydrophobicContact CG-CG2 4.46Å; V575-V577 PolarHBondContact O-N 3.39Å; V575-K581 WeakPolarHBondContact CA-O 3.49Å; V575-E582 HydrophobicContact CG2-CB 4.45Å
576	V	98.6	Very high	97.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116	168.6	169.7	0	0	0	0	108.5	V553 Q557 T558 L559 E578 T579 G580 K581 V583	V553-V576 HydrophobicContact CG1-CG2 4.42Å; V553-V576 HydrophobicContact CG2-CG2 3.91Å; Q557-V576 HydrophobicContact CB-CG1 4.07Å; Q557-V576 HydrophobicContact CG-CG1 4.2Å; T558-V576 WeakPolarHBondContact O-CA 3.37Å; L559-V576 HydrophobicContact CD2-CG2 4.42Å; V576-E578 VanDerWaalsContact C-N 3.3Å; V576-E578 HydrophobicContact CG1-CB 4.42Å; V576-E578 WeakPolarHBondContact CG1-OE2 3.27Å; V576-E578 PolarHBondContact O-N 3.49Å; V576-T579 HydrophobicContact CG1-CG2 4.08Å; V576-T579 WeakPolarHBondContact CG1-OG1 3.35Å; V576-T579 PolarHBondContact O-N 3.47Å; V576-G580 WeakPolarHBondContact O-CA 3.47Å; V576-G580 PolarHBondContact O-N 3.39Å; V576-K581 PolarHBondContact N-O 3.32Å; V576-V583 HydrophobicContact CG2-CG1 3.68Å; V576-V583 HydrophobicContact CG2-CG2 4.35Å
577	V	98.5	Very high	97.7	Very high	61 Å²	61	39.5 Å²	39.5	37%	0.37	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-43.7	-174.3	174.4	0	0	0	0	111.4	T558 R560 V575 T579	T558-V577 HydrophobicContact CG2-CB 4.37Å; T558-V577 HydrophobicContact CG2-CG2 3.82Å; T558-V577 PolarHBondContact O-N 3.02Å; R560-V577 HydrophobicContact CB-CG2 3.73Å; V575-V577 PolarHBondContact O-N 3.39Å; V577-T579 VanDerWaalsContact C-N 3.26Å; V577-T579 PolarHBondContact O-N 3.4Å
578	E	98.3	Very high	98	Very high	99 Å²	99	37.3 Å²	37.3	46%	0.463	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.7	-173.7	-62.3	79.9	-177.5	0	0	112.9	T558 V576	T558-E578 WeakPolarHBondContact CB-OE1 3.37Å; T558-E578 VanDerWaalsContact N-CD 3.32Å; T558-E578 PolarHBondContact N-OE1 2.85Å; T558-E578 PolarHBondContact N-OE2 2.96Å; T558-E578 PolarHBondContact OG1-OE1 3.49Å; V576-E578 VanDerWaalsContact C-N 3.3Å; V576-E578 HydrophobicContact CG1-CB 4.42Å; V576-E578 WeakPolarHBondContact CG1-OE2 3.27Å; V576-E578 PolarHBondContact O-N 3.49Å
579	T	97.1	Very high	98.1	Very high	73 Å²	73	34.1 Å²	34.1	45%	0.448	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-13.9	-176.9	67.6	0	0	0	0	113.7	V576 V577 K581	V576-T579 HydrophobicContact CG1-CG2 4.08Å; V576-T579 WeakPolarHBondContact CG1-OG1 3.35Å; V576-T579 PolarHBondContact O-N 3.47Å; V577-T579 VanDerWaalsContact C-N 3.26Å; V577-T579 PolarHBondContact O-N 3.4Å; T579-K581 PolarHBondContact O-N 3.32Å; T579-K581 WeakPolarHBondContact OG1-CB 3.44Å; T579-K581 PolarHBondContact OG1-N 3.37Å
580	G	97.3	Very high	98.1	Very high	55 Å²	55	31.9 Å²	31.9	57%	0.567	18%	0.176	S	C	*	.			trans	67.1	5	-171.2	0	0	0	0	0	114.5	V576	V576-G580 WeakPolarHBondContact O-CA 3.47Å; V576-G580 PolarHBondContact O-N 3.39Å
581	K	97.8	Very high	98.1	Very high	145 Å²	145	32.1 Å²	32.1	63%	0.63	18%	0.177	S	C	*	.			trans	-80	134.8	-176.2	-67.3	-177.4	177.8	-178.4	0	111.7	V575 V576 T579	V575-K581 WeakPolarHBondContact CA-O 3.49Å; V576-K581 PolarHBondContact N-O 3.32Å; T579-K581 PolarHBondContact O-N 3.32Å; T579-K581 WeakPolarHBondContact OG1-CB 3.44Å; T579-K581 PolarHBondContact OG1-N 3.37Å
582	E	97.7	Very high	97.9	Very high	81 Å²	81	37 Å²	37	38%	0.379	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.5	171.8	-171.5	174.3	82.5	0	0	110.6	S550 R573 V575 I584 S585	S550-E582 VanDerWaalsContact OG-C 3.29Å; S550-E582 PolarHBondContact OG-O 3.43Å; R573-E582 VanDerWaalsContact CD-OE2 3.29Å; R573-E582 WeakPolarHBondContact CD-OE2 3.38Å; V575-E582 HydrophobicContact CG2-CB 4.45Å; E582-I584 WeakPolarHBondContact CG-O 3.4Å; E582-S585 WeakPolarHBondContact OE1-CB 3.39Å
583	V	98.1	Very high	97.3	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-23.3	-177.1	-65	0	0	0	0	113.2	T522 S550 P552 V553 L559 T574 V576	T522-V583 HydrophobicContact CG2-CG2 4.07Å; S550-V583 PolarHBondContact N-O 2.94Å; S550-V583 WeakPolarHBondContact OG-CA 3.13Å; S550-V583 PolarHBondContact OG-N 2.89Å; S550-V583 PolarHBondContact OG-O 2.58Å; P552-V583 WeakPolarHBondContact O-CG1 3.24Å; V553-V583 HydrophobicContact CG2-CB 3.92Å; V553-V583 HydrophobicContact CG2-CG1 3.83Å; V553-V583 HydrophobicContact CG2-CG2 3.75Å; L559-V583 HydrophobicContact CD2-CG2 4.5Å; T574-V583 HydrophobicContact CG2-CG2 3.9Å; T574-V583 WeakPolarHBondContact O-CG2 3.41Å; T574-V583 PolarHBondContact O-N 2.87Å; V576-V583 HydrophobicContact CG2-CG1 3.68Å; V576-V583 HydrophobicContact CG2-CG2 4.35Å
584	I	98.3	Very high	95.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.9	167	-66.6	178.5	0	0	0	109.1	T522 L523 V547 R548 F549 S550 F572 R573 T574 E582 A587	T522-I584 HydrophobicContact CG2-CD1 3.67Å; T522-I584 HydrophobicContact CG2-CG1 4.12Å; L523-I584 HydrophobicContact CB-CD1 4.35Å; V547-I584 HydrophobicContact CB-CG2 3.89Å; V547-I584 HydrophobicContact CG1-CG2 3.96Å; R548-I584 WeakPolarHBondContact O-CA 3.49Å; F549-I584 HydrophobicContact CD1-CD1 4.5Å; F549-I584 HydrophobicContact CD1-CG1 4.18Å; F549-I584 HydrophobicContact CE1-CD1 4.23Å; F549-I584 HydrophobicContact CE1-CG1 4.38Å; S550-I584 PolarHBondContact OG-N 2.65Å; F572-I584 HydrophobicContact CD2-CG2 4.35Å; F572-I584 HydrophobicContact CE2-CG2 3.72Å; F572-I584 HydrophobicContact CZ-CG2 4.43Å; R573-I584 WeakPolarHBondContact CA-O 3.49Å; T574-I584 PolarHBondContact N-O 2.79Å; T574-I584 PolarHBondContact O-N 3.25Å; E582-I584 WeakPolarHBondContact CG-O 3.4Å; I584-A587 HydrophobicContact CG2-CB 3.67Å
585	S	97.8	Very high	93.9	Very high	19 Å²	19	44.5 Å²	44.5	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	168.3	-176.8	75.3	0	0	0	0	112.6	R548 E582 A587	R548-S585 WeakPolarHBondContact CB-O 2.75Å; R548-S585 PolarHBondContact N-O 2.83Å; R548-S585 PolarHBondContact O-N 3.47Å; E582-S585 WeakPolarHBondContact OE1-CB 3.39Å; S585-A587 PolarHBondContact O-N 2.84Å
586	G	97.3	Very high	91.6	Very high	17 Å²	17	45.6 Å²	45.6	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.3	22.4	177.7	0	0	0	0	0	114.1	L467 Q468	L467-G586 VanDerWaalsContact CD2-O 3.3Å; L467-G586 WeakPolarHBondContact CD2-O 3.33Å; Q468-G586 PolarHBondContact N-O 2.86Å; Q468-G586 CarbonylContact O-C 3.57Å; Q468-G586 WeakPolarHBondContact O-CA 3.43Å
587	A	98.5	Very high	89	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.2	-158.9	0	0	0	0	0	113.4	K546 V547 N571 F572 I584 S585	K546-A587 CarbonylContact O-C 3.59Å; K546-A587 WeakPolarHBondContact O-CA 3.31Å; V547-A587 HydrophobicContact CB-CB 4.04Å; V547-A587 HydrophobicContact CG1-CB 3.66Å; N571-A587 WeakPolarHBondContact CA-O 3.29Å; F572-A587 HydrophobicContact CD1-CB 3.98Å; F572-A587 HydrophobicContact CD2-CB 4.02Å; F572-A587 HydrophobicContact CE1-CB 3.71Å; F572-A587 HydrophobicContact CE2-CB 3.78Å; F572-A587 HydrophobicContact CG-CB 4.14Å; F572-A587 HydrophobicContact CZ-CB 3.65Å; F572-A587 PolarHBondContact N-O 2.77Å; F572-A587 WeakPolarHBondContact O-CB 2.95Å; I584-A587 HydrophobicContact CG2-CB 3.67Å; S585-A587 PolarHBondContact O-N 2.84Å
588	Y	98.6	Very high	86.1	Confident	7 Å²	7	60 Å²	60	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	151.9	174.1	58	-90.3	0	0	0	112.5	V465 P466 Q468 V545 K546 R569 I570	V465-Y588 WeakPolarHBondContact CG1-OH 3.48Å; P466-Y588 WeakPolarHBondContact O-CE1 3.39Å; P466-Y588 PolarHBondContact O-OH 3.2Å; Q468-Y588 HydrophobicContact CB-CD1 3.71Å; Q468-Y588 HydrophobicContact CB-CE1 3.97Å; V545-Y588 WeakPolarHBondContact CA-O 3.43Å; V545-Y588 WeakPolarHBondContact CG2-O 3.49Å; K546-Y588 HydrophobicContact CB-CD1 4.19Å; K546-Y588 HydrophobicContact CB-CD2 4.42Å; K546-Y588 HydrophobicContact CB-CE1 3.61Å; K546-Y588 HydrophobicContact CB-CE2 3.86Å; K546-Y588 VanDerWaalsContact CB-CZ 3.42Å; K546-Y588 HydrophobicContact CG-CE1 3.95Å; K546-Y588 PolarHBondContact N-O 3.2Å; K546-Y588 PolarHBondContact O-N 3.16Å; R569-Y588 HydrophobicContact CG-CD2 4.34Å; R569-Y588 HydrophobicContact CG-CG 4.36Å; I570-Y588 CarbonylContact O-C 3.48Å; I570-Y588 WeakPolarHBondContact O-CA 3.16Å
589	V	98.5	Very high	85.5	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.5	165	173.6	0	0	0	0	108.3	V527 V530 F542 A544 V545 I570 F572 L591	V527-V589 HydrophobicContact CG2-CG2 4.16Å; V530-V589 HydrophobicContact CB-CB 4.49Å; V530-V589 HydrophobicContact CB-CG2 4.23Å; V530-V589 HydrophobicContact CG1-CB 3.92Å; V530-V589 HydrophobicContact CG1-CG1 3.91Å; V530-V589 HydrophobicContact CG1-CG2 4.2Å; V530-V589 HydrophobicContact CG2-CB 4.35Å; V530-V589 HydrophobicContact CG2-CG2 3.94Å; F542-V589 HydrophobicContact CD2-CG1 3.8Å; F542-V589 HydrophobicContact CE2-CG1 3.78Å; F542-V589 HydrophobicContact CE2-CG2 4.4Å; A544-V589 CarbonylContact O-C 3.6Å; A544-V589 VanDerWaalsContact O-CA 3.31Å; A544-V589 WeakPolarHBondContact O-CA 3.49Å; V545-V589 HydrophobicContact CB-CG2 4.12Å; V545-V589 HydrophobicContact CG2-CG2 3.74Å; I570-V589 PolarHBondContact N-O 2.68Å; I570-V589 PolarHBondContact O-N 2.87Å; F572-V589 HydrophobicContact CD1-CG2 4.27Å; F572-V589 HydrophobicContact CE1-CG2 3.8Å; V589-L591 HydrophobicContact CG1-CD2 3.87Å; V589-L591 HydrophobicContact CG1-CG 4.44Å
590	D	98.3	Very high	84.9	Confident	25 Å²	25	57.2 Å²	57.2	13%	0.134	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.4	166.2	-73.3	-38.4	0	0	0	109.8	K543 A544 R569	K543-D590 WeakPolarHBondContact CA-O 3.31Å; K543-D590 HydrophobicContact CB-CB 4.31Å; K543-D590 VanDerWaalsContact CB-O 3.31Å; K543-D590 WeakPolarHBondContact CB-O 3.39Å; K543-D590 PolarHBondContact N-O 3.16Å; A544-D590 HydrophobicContact CB-CB 4.41Å; A544-D590 PolarHBondContact N-O 2.96Å; A544-D590 PolarHBondContact O-N 2.84Å; R569-D590 WeakPolarHBondContact CB-OD1 3.44Å; R569-D590 WeakPolarHBondContact CG-OD1 3.43Å; R569-D590 IonicContact CZ-OD1 3.49Å; R569-D590 IonicContact CZ-OD2 2.74Å; R569-D590 IonicContact NE-OD1 3.42Å; R569-D590 PolarHBondContact NE-OD1 2.91Å; R569-D590 IonicContact NE-OD2 3.9Å; R569-D590 IonicContact NH2-OD1 3.16Å; R569-D590 PolarHBondContact NH2-OD1 2.84Å; R569-D590 IonicContact NH2-OD2 3.41Å; R569-D590 PolarHBondContact NH2-OD2 2.85Å
591	L	97.6	Very high	84.2	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	148.3	172.3	-57.9	176.7	0	0	0	110.1	F534 A535 L541 T568 I570 V589 S593	F534-L591 HydrophobicContact CB-CD1 3.93Å; A535-L591 HydrophobicContact CB-CD2 4.46Å; L541-L591 CarbonylContact O-C 3.56Å; L541-L591 VanDerWaalsContact O-CA 3.22Å; L541-L591 WeakPolarHBondContact O-CA 3.37Å; T568-L591 WeakPolarHBondContact CB-O 3.4Å; T568-L591 PolarHBondContact O-N 3.37Å; I570-L591 HydrophobicContact CD1-CD1 4.49Å; I570-L591 HydrophobicContact CG1-CD1 4.02Å; I570-L591 HydrophobicContact CG1-CG 4.44Å; V589-L591 HydrophobicContact CG1-CD2 3.87Å; V589-L591 HydrophobicContact CG1-CG 4.44Å; L591-S593 VanDerWaalsContact C-N 3.31Å; L591-S593 WeakPolarHBondContact CB-O 3.18Å
592	K	94.1	Very high	83.4	Confident	102 Å²	102	52.2 Å²	52.2	44%	0.443	27%	0.271	S	S	.	.	S	Bend	trans	-65	-37.6	171.7	-61.9	-175.1	-170.8	166.4	0	111.1	A540 L541 F542 K543	A540-K592 VanDerWaalsContact O-CD 3.32Å; A540-K592 WeakPolarHBondContact O-CD 3.35Å; A540-K592 WeakPolarHBondContact O-CE 3.22Å; A540-K592 PolarHBondContact O-NZ 2.82Å; L541-K592 PolarHBondContact O-N 2.72Å; F542-K592 WeakPolarHBondContact O-CE 3.47Å; K543-K592 HydrophobicContact CB-CG 4.01Å
593	S	84.9	Confident	82.5	Confident	49 Å²	49	50.4 Å²	50.4	34%	0.343	26%	0.264	S	S	.	.			trans	-150.9	158.5	170	72.9	0	0	0	0	109.9	L541 L591	L541-S593 WeakPolarHBondContact CD2-OG 3.21Å; L591-S593 VanDerWaalsContact C-N 3.31Å; L591-S593 WeakPolarHBondContact CB-O 3.18Å
594	S	66.6	Low	81.5	Confident	39 Å²	39	53.5 Å²	53.5	27%	0.273	28%	0.281	S	S	.	.			trans	-116.7	109.8	175	77.8	0	0	0	0	109.7	K565	K565-S594 VanDerWaalsContact CE-OG 3.29Å; K565-S594 WeakPolarHBondContact CE-OG 3.31Å; K565-S594 PolarHBondContact NZ-OG 2.78Å
595	Q	59.2	Low	80.3	Confident	146 Å²	146	57.4 Å²	57.4	68%	0.682	30%	0.301	S	S	*	.			trans	-80.6	-19.4	-179.9	-72.1	-167.7	-7.9	0	0	113.7	K597	Q595-K597 PolarHBondContact O-N 3.03Å
596	A	51	Low	78.9	Confident	30 Å²	30	60.3 Å²	60.3	25%	0.248	31%	0.314	C	S	.	.			trans	-72.2	111.2	-177.8	0	0	0	0	0	112.2	F534 K565	F534-A596 HydrophobicContact CD1-CB 4.34Å; K565-A596 PolarHBondContact NZ-O 2.93Å
597	K	42.8	Very low	77.4	Confident	206 Å²	206	63.9 Å²	63.9	90%	0.896	33%	0.325	S	S	*	.			trans	-76.3	119.3	151.6	-69.7	-177	179.1	179.6	0	106	Q595	Q595-K597 PolarHBondContact O-N 3.03Å
598	L	38.8	Very low	75.5	Confident	158 Å²	158	69.6 Å²	69.6	83%	0.827	35%	0.354	S	S	*	.			trans	-65.5	0	170.2	-78.4	166.8	0	0	0	109.8	D476	D476-L598 HydrophobicContact CB-CD1 3.98Å

Retrieved 598 of 598 residues in 468.9 ms (Link to these results)

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