A0A077ZBL6_TRITR Loading...

H(+)-transporting two-sector ATPase

AlphaFold DB , UniProt , Accession A0A077ZBL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 555 aa.

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(Predicted Aligned Error values between residue pairs)

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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	79.9	Confident	89.2	Confident	64 Å²	64	49.2 Å²	49.2	32%	0.315	30%	0.299	S	S	.	.				0	39	0	-76.1	-76.7	-91.4	0	0	111.2	G3 A4 V10 I21 D27 A29 I31 V65 R67	M1-G3 PolarHBondContact O-N 3.25Å; M1-A4 HydrophobicContact CB-CB 4.38Å; M1-A4 HydrophobicContact CE-CB 4.21Å; M1-A4 WeakPolarHBondContact O-CB 3.2Å; M1-A4 PolarHBondContact O-N 2.8Å; M1-A4 VanDerWaalsContact O-N 3.11Å; M1-V10 HydrophobicContact CE-CG1 4.09Å; M1-I21 HydrophobicContact CE-CD1 3.7Å; M1-I21 HydrophobicContact CE-CG1 4.43Å; M1-D27 PolarHBondContact N-O 3Å; M1-A29 HydrophobicContact CB-CB 3.86Å; M1-A29 HydrophobicContact CE-CB 4.32Å; M1-A29 HydrophobicContact CG-CB 4.07Å; M1-I31 HydrophobicContact CE-CD1 4.24Å; M1-V65 HydrophobicContact CE-CG1 4.02Å; M1-V65 HydrophobicContact SD-CG1 4.5Å; M1-R67 HydrophobicContact CE-CG 3.95Å; M1-R67 HydrophobicContact SD-CG 3.96Å
2	S	79	Confident	89.4	Confident	107 Å²	107	46.2 Å²	46.2	75%	0.748	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	7.7	-161.4	45.9	0	0	0	0	117.6	D27	S2-D27 WeakPolarHBondContact CB-OD1 3.26Å
3	G	87.1	Confident	89.5	Confident	56 Å²	56	43 Å²	43	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.5	21.3	173.4	0	0	0	0	0	112.6	M1 R67	M1-G3 PolarHBondContact O-N 3.25Å; G3-R67 PolarHBondContact O-NH1 3.33Å
4	A	89.5	Confident	89.4	Confident	12 Å²	12	49.4 Å²	49.4	10%	0.099	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-81.1	144.2	178.5	0	0	0	0	0	110.1	M1 E8 I21 L24	M1-A4 HydrophobicContact CB-CB 4.38Å; M1-A4 HydrophobicContact CE-CB 4.21Å; M1-A4 WeakPolarHBondContact O-CB 3.2Å; M1-A4 PolarHBondContact O-N 2.8Å; M1-A4 VanDerWaalsContact O-N 3.11Å; A4-E8 WeakPolarHBondContact CA-OE2 3.39Å; A4-I21 HydrophobicContact CB-CD1 3.39Å; A4-L24 HydrophobicContact CB-CD2 4.44Å; A4-L24 WeakPolarHBondContact O-CD1 3.36Å
5	A	91.5	Very high	89.2	Confident	55 Å²	55	52.3 Å²	52.3	46%	0.455	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-91.4	155.2	177.5	0	0	0	0	0	111.3	E8	A5-E8 HydrophobicContact CB-CB 4.26Å; A5-E8 PolarHBondContact N-OE2 2.8Å; A5-E8 WeakPolarHBondContact O-CB 3.37Å; A5-E8 PolarHBondContact O-N 3.29Å
6	M	90.8	Very high	89.3	Confident	96 Å²	96	54.2 Å²	54.2	47%	0.473	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	138.8	172	-147.8	-92.5	-72.3	0	0	109.3	E8 L24	M6-E8 PolarHBondContact O-N 2.98Å; M6-L24 HydrophobicContact CB-CD1 4.38Å
7	Y	89.5	Confident	89.5	Confident	76 Å²	76	51.4 Å²	51.4	30%	0.298	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	18	-169.3	-54.3	-62.7	0	0	0	115.9	E20 I21 P71 R374	Y7-E20 HydrophobicContact CD1-CG 4.37Å; Y7-I21 WeakPolarHBondContact CA-O 3.48Å; Y7-I21 PolarHBondContact N-O 3.18Å; Y7-P71 VanDerWaalsContact O-CA 3.32Å; Y7-P71 WeakPolarHBondContact O-CA 3.46Å; Y7-R374 PolarHBondContact OH-NH2 3.17Å
8	E	92.9	Very high	89.7	Confident	10 Å²	10	49 Å²	49	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	137.4	173	-166.8	-170.4	148.2	0	0	110.7	A4 A5 M6 E20 I21 R67 T68 G69	A4-E8 WeakPolarHBondContact CA-OE2 3.39Å; A5-E8 HydrophobicContact CB-CB 4.26Å; A5-E8 PolarHBondContact N-OE2 2.8Å; A5-E8 WeakPolarHBondContact O-CB 3.37Å; A5-E8 PolarHBondContact O-N 3.29Å; M6-E8 PolarHBondContact O-N 2.98Å; E8-E20 WeakPolarHBondContact O-CA 3.31Å; E8-I21 HydrophobicContact CB-CD1 4.17Å; E8-I21 PolarHBondContact O-N 3.5Å; E8-R67 WeakPolarHBondContact OE1-CB 3.28Å; E8-T68 PolarHBondContact OE1-N 3.43Å; E8-G69 VanDerWaalsContact OE1-CA 3.26Å; E8-G69 WeakPolarHBondContact OE1-CA 3.34Å; E8-G69 PolarHBondContact OE1-N 3.39Å
9	L	93.3	Very high	89.8	Confident	21 Å²	21	46.4 Å²	46.4	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.1	173.6	-168.1	136.9	0	0	0	110.1	V18 G19 T68 K70 L72	L9-V18 HydrophobicContact CD1-CG1 3.69Å; L9-V18 HydrophobicContact CD2-CG1 4.15Å; L9-V18 HydrophobicContact CG-CG1 3.96Å; L9-G19 CarbonylContact C-O 3.55Å; L9-G19 WeakPolarHBondContact CA-O 3.35Å; L9-T68 HydrophobicContact CD2-CG2 3.63Å; L9-T68 WeakPolarHBondContact O-CB 3.46Å; L9-T68 WeakPolarHBondContact O-CG2 3.45Å; L9-T68 PolarHBondContact O-N 2.83Å; L9-T68 PolarHBondContact O-OG1 3.39Å; L9-K70 WeakPolarHBondContact CB-O 3.36Å; L9-K70 PolarHBondContact N-O 3.24Å; L9-L72 HydrophobicContact CD1-CB 4.2Å; L9-L72 HydrophobicContact CD1-CD1 3.56Å; L9-L72 HydrophobicContact CD1-CG 4.5Å
10	V	93.9	Very high	89.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.5	-178.4	-64.6	0	0	0	0	110.1	M1 V12 G19 I21 I31 V65 L66 R67	M1-V10 HydrophobicContact CE-CG1 4.09Å; V10-V12 HydrophobicContact CG2-CG2 3.97Å; V10-G19 PolarHBondContact N-O 3.09Å; V10-G19 PolarHBondContact O-N 2.67Å; V10-I21 HydrophobicContact CG1-CD1 3.81Å; V10-I21 HydrophobicContact CG1-CG1 3.84Å; V10-I21 HydrophobicContact CG2-CG1 4.5Å; V10-I31 HydrophobicContact CG2-CB 4.43Å; V10-I31 HydrophobicContact CG2-CD1 4.06Å; V10-I31 HydrophobicContact CG2-CG1 4.12Å; V10-I31 HydrophobicContact CG2-CG2 3.42Å; V10-I31 VanDerWaalsContact CG2-CG2 3.42Å; V10-V65 HydrophobicContact CB-CG1 4.04Å; V10-V65 HydrophobicContact CG1-CG1 4.48Å; V10-V65 HydrophobicContact CG2-CG1 4.37Å; V10-L66 CarbonylContact C-O 3.58Å; V10-L66 WeakPolarHBondContact CA-O 3.46Å; V10-R67 HydrophobicContact CG1-CG 4.31Å
11	R	93.8	Very high	90	Very high	44 Å²	44	42 Å²	42	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.2	173.8	-60.2	-65.7	-174.7	150.4	1.4	108.3	E16 L17 V65 L66 T68 N109	R11-E16 HydrophobicContact CB-CB 3.97Å; R11-E16 HydrophobicContact CB-CG 4.36Å; R11-E16 VanDerWaalsContact CD-O 3.29Å; R11-E16 WeakPolarHBondContact CD-O 3.46Å; R11-E16 HydrophobicContact CG-CB 4.41Å; R11-E16 PolarHBondContact NH1-O 3.21Å; R11-L17 CarbonylContact C-O 3.52Å; R11-L17 WeakPolarHBondContact CA-O 3.45Å; R11-V65 CarbonylContact O-C 3.54Å; R11-V65 WeakPolarHBondContact O-CA 3.18Å; R11-L66 HydrophobicContact CB-CB 4.22Å; R11-L66 PolarHBondContact N-O 3.22Å; R11-L66 PolarHBondContact O-N 2.91Å; R11-T68 HydrophobicContact CG-CG2 4.43Å; R11-N109 PolarHBondContact NH2-OD1 3.33Å; R11-N109 VanDerWaalsContact NH2-OD1 3.09Å
12	V	92.2	Very high	90.5	Very high	13 Å²	13	40.7 Å²	40.7	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.9	-172.3	-177.8	0	0	0	0	109.9	V10 L17 I31 V33 V59 V65	V10-V12 HydrophobicContact CG2-CG2 3.97Å; V12-L17 PolarHBondContact N-O 2.86Å; V12-L17 WeakPolarHBondContact O-CB 3.22Å; V12-L17 PolarHBondContact O-N 3Å; V12-I31 HydrophobicContact CG2-CD1 4.35Å; V12-I31 HydrophobicContact CG2-CG2 3.92Å; V12-V33 HydrophobicContact CG2-CG2 4.31Å; V12-V59 HydrophobicContact CG1-CG1 4.09Å; V12-V59 HydrophobicContact CG1-CG2 4.38Å; V12-V65 HydrophobicContact CG1-CG2 4.31Å; V12-V65 HydrophobicContact CG2-CG1 4.3Å
13	G	89.8	Confident	91	Very high	5 Å²	5	41.5 Å²	41.5	5%	0.052	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	168.5	175	0	0	0	0	0	113.6	F15 E16 P64	G13-F15 PolarHBondContact O-N 2.92Å; G13-E16 PolarHBondContact O-N 3.15Å; G13-P64 PolarHBondContact N-O 2.9Å
14	H	88.4	Confident	91.1	Very high	133 Å²	133	42.1 Å²	42.1	62%	0.616	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.6	170.7	-68.6	-61.9	0	0	0	113.7	E16 D63	H14-E16 VanDerWaalsContact C-N 3.33Å; H14-D63 IonicContact CD2-OD1 3.35Å; H14-D63 IonicContact NE2-OD1 2.7Å
15	F	87	Confident	91.2	Very high	93 Å²	93	46.6 Å²	46.6	41%	0.408	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.3	174.5	-68.2	-86.8	0	0	0	113	G13 L17 A57 G107	G13-F15 PolarHBondContact O-N 2.92Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 HydrophobicContact CB-CD2 3.99Å; F15-L17 HydrophobicContact CB-CG 4.39Å; F15-L17 PolarHBondContact O-N 2.82Å; F15-A57 HydrophobicContact CD2-CB 4.34Å; F15-A57 HydrophobicContact CE1-CB 4.29Å; F15-A57 HydrophobicContact CE2-CB 3.54Å; F15-A57 HydrophobicContact CZ-CB 3.49Å; F15-A57 VanDerWaalsContact CZ-CB 3.49Å; F15-G107 WeakPolarHBondContact O-CA 3.37Å
16	E	91	Very high	91.1	Very high	82 Å²	82	47.5 Å²	47.5	38%	0.383	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.6	178.9	-61.4	-170.4	170.5	0	0	113.8	R11 G13 H14 V18	R11-E16 HydrophobicContact CB-CB 3.97Å; R11-E16 HydrophobicContact CB-CG 4.36Å; R11-E16 VanDerWaalsContact CD-O 3.29Å; R11-E16 WeakPolarHBondContact CD-O 3.46Å; R11-E16 HydrophobicContact CG-CB 4.41Å; R11-E16 PolarHBondContact NH1-O 3.21Å; G13-E16 PolarHBondContact O-N 3.15Å; H14-E16 VanDerWaalsContact C-N 3.33Å; E16-V18 PolarHBondContact O-N 2.98Å
17	L	92.2	Very high	91.1	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.3	178.5	-55.6	-177.9	0	0	0	110.1	R11 V12 F15 G19 V33 E35 V59 K106	R11-L17 CarbonylContact C-O 3.52Å; R11-L17 WeakPolarHBondContact CA-O 3.45Å; V12-L17 PolarHBondContact N-O 2.86Å; V12-L17 WeakPolarHBondContact O-CB 3.22Å; V12-L17 PolarHBondContact O-N 3Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 HydrophobicContact CB-CD2 3.99Å; F15-L17 HydrophobicContact CB-CG 4.39Å; F15-L17 PolarHBondContact O-N 2.82Å; L17-G19 PolarHBondContact O-N 2.85Å; L17-V33 HydrophobicContact CB-CG1 3.85Å; L17-V33 HydrophobicContact CD1-CG1 4.26Å; L17-E35 HydrophobicContact CB-CB 4.34Å; L17-E35 HydrophobicContact CD2-CB 4.12Å; L17-V59 HydrophobicContact CD1-CG2 3.68Å; L17-K106 HydrophobicContact CD2-CB 3.97Å
18	V	92.4	Very high	91.2	Very high	8 Å²	8	51.6 Å²	51.6	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.1	-180	-171.4	0	0	0	0	110	L9 E16 Y34 E35 I88	L9-V18 HydrophobicContact CD1-CG1 3.69Å; L9-V18 HydrophobicContact CD2-CG1 4.15Å; L9-V18 HydrophobicContact CG-CG1 3.96Å; E16-V18 PolarHBondContact O-N 2.98Å; V18-Y34 HydrophobicContact CB-CD2 4.45Å; V18-Y34 HydrophobicContact CG1-CD2 3.92Å; V18-Y34 PolarHBondContact O-N 2.88Å; V18-E35 PolarHBondContact N-OE1 2.95Å; V18-E35 VanDerWaalsContact N-OE1 3.12Å; V18-I88 HydrophobicContact CB-CD1 4.21Å; V18-I88 HydrophobicContact CG2-CD1 3.99Å
19	G	91.5	Very high	91.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	168	172	0	0	0	0	0	113.2	L9 V10 L17 Q32	L9-G19 CarbonylContact C-O 3.55Å; L9-G19 WeakPolarHBondContact CA-O 3.35Å; V10-G19 PolarHBondContact N-O 3.09Å; V10-G19 PolarHBondContact O-N 2.67Å; L17-G19 PolarHBondContact O-N 2.85Å; G19-Q32 CarbonylContact C-O 3.54Å; G19-Q32 WeakPolarHBondContact CA-O 3.38Å
20	E	91.2	Very high	91.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136	178.1	-176.6	-178	-134.7	0	0	110	Y7 E8 I31 Q32 Y34 R205	Y7-E20 HydrophobicContact CD1-CG 4.37Å; E8-E20 WeakPolarHBondContact O-CA 3.31Å; E20-I31 CarbonylContact O-C 3.58Å; E20-I31 WeakPolarHBondContact O-CA 3.4Å; E20-Q32 PolarHBondContact N-O 3.29Å; E20-Q32 PolarHBondContact O-N 3.16Å; E20-Y34 HydrophobicContact CB-CE2 3.71Å; E20-Y34 WeakPolarHBondContact CB-OH 3.3Å; E20-Y34 VanDerWaalsContact CD-OH 3.24Å; E20-Y34 PolarHBondContact OE2-OH 3.03Å; E20-R205 IonicContact OE1-CZ 3.39Å; E20-R205 IonicContact OE1-NE 2.63Å; E20-R205 PolarHBondContact OE1-NE 2.95Å; E20-R205 IonicContact OE1-NH2 2.69Å; E20-R205 IonicContact OE2-CZ 3.99Å; E20-R205 IonicContact OE2-NE 3.38Å; E20-R205 IonicContact OE2-NH2 2.79Å; E20-R205 PolarHBondContact OE2-NH2 2.86Å
21	I	92.8	Very high	91.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.6	175.4	-61.2	177.9	0	0	0	109.7	M1 A4 Y7 E8 V10 L24 A29 I31	M1-I21 HydrophobicContact CE-CD1 3.7Å; M1-I21 HydrophobicContact CE-CG1 4.43Å; A4-I21 HydrophobicContact CB-CD1 3.39Å; Y7-I21 WeakPolarHBondContact CA-O 3.48Å; Y7-I21 PolarHBondContact N-O 3.18Å; E8-I21 HydrophobicContact CB-CD1 4.17Å; E8-I21 PolarHBondContact O-N 3.5Å; V10-I21 HydrophobicContact CG1-CD1 3.81Å; V10-I21 HydrophobicContact CG1-CG1 3.84Å; V10-I21 HydrophobicContact CG2-CG1 4.5Å; I21-L24 HydrophobicContact CG2-CD2 3.77Å; I21-L24 HydrophobicContact CG2-CG 3.99Å; I21-A29 HydrophobicContact CG2-CB 4.26Å; I21-I31 HydrophobicContact CG1-CG1 4.11Å
22	I	90.1	Very high	90.9	Very high	36 Å²	36	55.2 Å²	55.2	19%	0.185	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-22.3	-177	52.3	168.3	0	0	0	113.7	T30 Q32 L358	I22-T30 HydrophobicContact CD1-CG2 4.1Å; I22-T30 HydrophobicContact CG1-CG2 4.1Å; I22-T30 VanDerWaalsContact CG1-O 3.27Å; I22-T30 WeakPolarHBondContact CG1-O 3.28Å; I22-T30 PolarHBondContact N-O 3.17Å; I22-Q32 HydrophobicContact CD1-CB 4.04Å; I22-Q32 HydrophobicContact CG1-CB 4.41Å; I22-Q32 HydrophobicContact CG2-CB 4.04Å; I22-L358 HydrophobicContact CD1-CD1 3.91Å; I22-L358 HydrophobicContact CD1-CD2 3.35Å; I22-L358 HydrophobicContact CD1-CG 4.05Å; I22-L358 HydrophobicContact CG1-CD2 4.34Å
23	R	89.3	Confident	90.9	Very high	124 Å²	124	56 Å²	56	47%	0.468	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.9	177.2	-171.6	175.8	174.5	161.7	-2.1	110.2	E25 A29 T30	R23-E25 HydrophobicContact CG-CG 4.33Å; R23-E25 IonicContact CZ-OE1 3.86Å; R23-E25 IonicContact NE-OE1 3.98Å; R23-E25 PolarHBondContact NE-OE1 3Å; R23-E25 IonicContact NH2-OE1 2.95Å; R23-E25 PolarHBondContact NH2-OE1 2.86Å; R23-A29 CarbonylContact O-C 3.4Å; R23-A29 WeakPolarHBondContact O-CA 3.36Å; R23-T30 PolarHBondContact N-O 3.46Å; R23-T30 PolarHBondContact O-N 2.87Å
24	L	90.9	Very high	90.8	Very high	69 Å²	69	55.9 Å²	55.9	36%	0.361	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129	177.3	-68.7	168.3	0	0	0	108.7	A4 M6 I21 A29	A4-L24 HydrophobicContact CB-CD2 4.44Å; A4-L24 WeakPolarHBondContact O-CD1 3.36Å; M6-L24 HydrophobicContact CB-CD1 4.38Å; I21-L24 HydrophobicContact CG2-CD2 3.77Å; I21-L24 HydrophobicContact CG2-CG 3.99Å; L24-A29 HydrophobicContact CD2-CB 3.66Å
25	E	90.4	Very high	90.7	Very high	106 Å²	106	50.2 Å²	50.2	50%	0.495	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	93.3	178.1	-65.7	-168.2	160.4	0	0	109.6	R23 D27 M28	R23-E25 HydrophobicContact CG-CG 4.33Å; R23-E25 IonicContact CZ-OE1 3.86Å; R23-E25 IonicContact NE-OE1 3.98Å; R23-E25 PolarHBondContact NE-OE1 3Å; R23-E25 IonicContact NH2-OE1 2.95Å; R23-E25 PolarHBondContact NH2-OE1 2.86Å; E25-D27 PolarHBondContact O-N 3.02Å; E25-D27 VanDerWaalsContact O-N 3.08Å; E25-M28 PolarHBondContact N-O 2.94Å; E25-M28 PolarHBondContact O-N 2.79Å
26	G	89.4	Confident	90.6	Very high	74 Å²	74	50.1 Å²	50.1	76%	0.763	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	-115.1	-174.1	0	0	0	0	0	111
27	D	91.6	Very high	90.3	Very high	116 Å²	116	49.1 Å²	49.1	62%	0.62	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.2	179.7	-66	-39.2	0	0	0	114.3	M1 S2 E25	M1-D27 PolarHBondContact N-O 3Å; S2-D27 WeakPolarHBondContact CB-OD1 3.26Å; E25-D27 PolarHBondContact O-N 3.02Å; E25-D27 VanDerWaalsContact O-N 3.08Å
28	M	92.1	Very high	89.4	Confident	143 Å²	143	52.9 Å²	52.9	70%	0.704	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.2	-179	-64.7	-68.7	-79.2	0	0	111	E25	E25-M28 PolarHBondContact N-O 2.94Å; E25-M28 PolarHBondContact O-N 2.79Å
29	A	92.8	Very high	87.7	Confident	23 Å²	23	55.1 Å²	55.1	19%	0.19	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.3	176.3	0	0	0	0	0	109.5	M1 I21 R23 L24	M1-A29 HydrophobicContact CB-CB 3.86Å; M1-A29 HydrophobicContact CE-CB 4.32Å; M1-A29 HydrophobicContact CG-CB 4.07Å; I21-A29 HydrophobicContact CG2-CB 4.26Å; R23-A29 CarbonylContact O-C 3.4Å; R23-A29 WeakPolarHBondContact O-CA 3.36Å; L24-A29 HydrophobicContact CD2-CB 3.66Å
30	T	91.9	Very high	85.3	Confident	60 Å²	60	65.9 Å²	65.9	37%	0.368	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.1	170.8	-52.2	0	0	0	0	108.5	I22 R23 L358	I22-T30 HydrophobicContact CD1-CG2 4.1Å; I22-T30 HydrophobicContact CG1-CG2 4.1Å; I22-T30 VanDerWaalsContact CG1-O 3.27Å; I22-T30 WeakPolarHBondContact CG1-O 3.28Å; I22-T30 PolarHBondContact N-O 3.17Å; R23-T30 PolarHBondContact N-O 3.46Å; R23-T30 PolarHBondContact O-N 2.87Å; T30-L358 HydrophobicContact CG2-CD2 4.21Å
31	I	92.3	Very high	82.6	Confident	45 Å²	45	72 Å²	72	23%	0.231	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.9	-176.4	-58.9	159	0	0	0	109	M1 V10 V12 E20 I21 V33 V65	M1-I31 HydrophobicContact CE-CD1 4.24Å; V10-I31 HydrophobicContact CG2-CB 4.43Å; V10-I31 HydrophobicContact CG2-CD1 4.06Å; V10-I31 HydrophobicContact CG2-CG1 4.12Å; V10-I31 HydrophobicContact CG2-CG2 3.42Å; V10-I31 VanDerWaalsContact CG2-CG2 3.42Å; V12-I31 HydrophobicContact CG2-CD1 4.35Å; V12-I31 HydrophobicContact CG2-CG2 3.92Å; E20-I31 CarbonylContact O-C 3.58Å; E20-I31 WeakPolarHBondContact O-CA 3.4Å; I21-I31 HydrophobicContact CG1-CG1 4.11Å; I31-V33 HydrophobicContact CG2-CG2 4.4Å; I31-V65 HydrophobicContact CD1-CG1 3.8Å; I31-V65 HydrophobicContact CD1-CG2 4.46Å
32	Q	90.8	Very high	79.5	Confident	23 Å²	23	78.4 Å²	78.4	11%	0.107	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.8	169	180	174.9	-9.2	0	0	109.2	G19 E20 I22 A314	G19-Q32 CarbonylContact C-O 3.54Å; G19-Q32 WeakPolarHBondContact CA-O 3.38Å; E20-Q32 PolarHBondContact N-O 3.29Å; E20-Q32 PolarHBondContact O-N 3.16Å; I22-Q32 HydrophobicContact CD1-CB 4.04Å; I22-Q32 HydrophobicContact CG1-CB 4.41Å; I22-Q32 HydrophobicContact CG2-CB 4.04Å; Q32-A314 HydrophobicContact CG-CB 3.71Å
33	V	91	Very high	76.7	Confident	28 Å²	28	80.8 Å²	80.8	17%	0.17	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.7	-179.5	-170.6	0	0	0	0	109.6	V12 L17 I31 E35 T37	V12-V33 HydrophobicContact CG2-CG2 4.31Å; L17-V33 HydrophobicContact CB-CG1 3.85Å; L17-V33 HydrophobicContact CD1-CG1 4.26Å; I31-V33 HydrophobicContact CG2-CG2 4.4Å; V33-E35 VanDerWaalsContact C-N 3.26Å; V33-E35 HydrophobicContact CG1-CB 4.35Å; V33-E35 WeakPolarHBondContact CG1-O 3.2Å; V33-T37 HydrophobicContact CB-CG2 3.77Å; V33-T37 HydrophobicContact CG1-CG2 3.99Å; V33-T37 HydrophobicContact CG2-CG2 3.81Å
34	Y	88.3	Confident	73.9	Confident	4 Å²	4	82.9 Å²	82.9	2%	0.016	45%	0.445	C	S	.	.	S	Bend	trans	-84.7	1.8	178.8	-64.1	-72.9	0	0	0	113.8	V18 E20 L72 I88 P312 A314 A318	V18-Y34 HydrophobicContact CB-CD2 4.45Å; V18-Y34 HydrophobicContact CG1-CD2 3.92Å; V18-Y34 PolarHBondContact O-N 2.88Å; E20-Y34 HydrophobicContact CB-CE2 3.71Å; E20-Y34 WeakPolarHBondContact CB-OH 3.3Å; E20-Y34 VanDerWaalsContact CD-OH 3.24Å; E20-Y34 PolarHBondContact OE2-OH 3.03Å; Y34-L72 HydrophobicContact CE2-CD2 4.45Å; Y34-I88 HydrophobicContact CD1-CG2 4.36Å; Y34-I88 HydrophobicContact CD2-CG2 4.44Å; Y34-I88 HydrophobicContact CG-CG2 4.07Å; Y34-P312 WeakPolarHBondContact O-CB 3.36Å; Y34-P312 VanDerWaalsContact O-CG 3.29Å; Y34-P312 WeakPolarHBondContact O-CG 3.48Å; Y34-A314 VanDerWaalsContact CD1-C 3.44Å; Y34-A314 HydrophobicContact CD1-CB 3.36Å; Y34-A314 WeakPolarHBondContact CD1-O 3.46Å; Y34-A314 HydrophobicContact CE1-CB 3.75Å; Y34-A314 WeakPolarHBondContact CE1-O 3.2Å; Y34-A314 HydrophobicContact CG-CB 4.22Å; Y34-A318 HydrophobicContact CD1-CB 4.3Å; Y34-A318 HydrophobicContact CE1-CB 3.95Å
35	E	86.2	Confident	71.1	Confident	13 Å²	13	84.4 Å²	84.4	6%	0.061	46%	0.46	C	S	.	.	S	Bend	trans	-128.3	160.2	-179.2	-64.9	-174.1	-112.4	0	0	109.9	L17 V18 V33 T37 R90 G107	L17-E35 HydrophobicContact CB-CB 4.34Å; L17-E35 HydrophobicContact CD2-CB 4.12Å; V18-E35 PolarHBondContact N-OE1 2.95Å; V18-E35 VanDerWaalsContact N-OE1 3.12Å; V33-E35 VanDerWaalsContact C-N 3.26Å; V33-E35 HydrophobicContact CG1-CB 4.35Å; V33-E35 WeakPolarHBondContact CG1-O 3.2Å; E35-T37 PolarHBondContact O-N 3.19Å; E35-R90 IonicContact OE1-NH1 3.67Å; E35-R90 IonicContact OE2-NH1 2.63Å; E35-G107 PolarHBondContact OE2-N 3.28Å
36	D	84.6	Confident	68.6	Low	92 Å²	92	88.9 Å²	88.9	49%	0.492	48%	0.478	S	S	.	.			trans	-68.8	118.5	-179.8	-74.8	-27.7	0	0	0	112	C38 K106	D36-C38 PolarHBondContact O-N 3.14Å; D36-K106 PolarHBondContact O-NZ 2.76Å
37	T	84.1	Confident	66.2	Low	61 Å²	61	89.5 Å²	89.5	37%	0.374	47%	0.471	S	S	.	.			trans	-77.2	-17.4	180	54.9	0	0	0	0	114.3	V33 E35 V59	V33-T37 HydrophobicContact CB-CG2 3.77Å; V33-T37 HydrophobicContact CG1-CG2 3.99Å; V33-T37 HydrophobicContact CG2-CG2 3.81Å; E35-T37 PolarHBondContact O-N 3.19Å; T37-V59 HydrophobicContact CG2-CG2 4.44Å; T37-V59 PolarHBondContact O-N 2.98Å; T37-V59 VanDerWaalsContact O-N 3.15Å
38	C	73.6	Confident	63.7	Low	85 Å²	85	89.3 Å²	89.3	57%	0.574	48%	0.479	S	S	*	.			trans	-107.3	146.3	-176.3	-59.2	0	0	0	0	111.9	D36 K106	D36-C38 PolarHBondContact O-N 3.14Å; C38-K106 PolarHBondContact O-NZ 3.26Å
39	N	56.5	Low	61.3	Low	55 Å²	55	91.5 Å²	91.5	29%	0.294	49%	0.488	S	S	.	.			trans	-113.2	126.6	171.5	-124	32	0	0	0	112	A57 A58 K106	N39-A57 WeakPolarHBondContact ND2-CB 3.26Å; N39-A58 HydrophobicContact CB-CB 4.31Å; N39-K106 PolarHBondContact OD1-NZ 3.03Å
40	Y	42.3	Very low	58.6	Low	227 Å²	227	95.9 Å²	95.9	89%	0.89	51%	0.512	S	S	*	.			trans	-104.2	72	154.1	-69.1	-81.5	0	0	0	107.7
41	M	34.1	Very low	55.7	Low	128 Å²	128	99.7 Å²	99.7	63%	0.631	54%	0.535	S	S	*	.			trans	-98.7	95.3	167	-165.9	151.4	69.7	0	0	108.4	C43	M41-C43 VanDerWaalsContact C-N 3.34Å; M41-C43 PolarHBondContact O-N 3.07Å
42	I	28.1	Very low	52.8	Low	134 Å²	134	104.3 Å²	104.3	69%	0.687	56%	0.56	S	S	*	*			trans	-71.8	93.8	167.3	-60.4	169.6	0	0	0	106.2	F44	I42-F44 HydrophobicContact CG2-CD2 3.32Å; I42-F44 HydrophobicContact CG2-CE2 3.49Å; I42-F44 VanDerWaalsContact CG2-CE2 3.49Å; I42-F44 HydrophobicContact CG2-CG 4.39Å; I42-F44 PolarHBondContact O-N 2.89Å
43	C	30.7	Very low	50.1	Low	86 Å²	86	114.2 Å²	114.2	58%	0.581	60%	0.596	S	S	*	*			trans	-83.6	88.6	172.2	-159.8	0	0	0	0	108.9	M41 C45	M41-C43 VanDerWaalsContact C-N 3.34Å; M41-C43 PolarHBondContact O-N 3.07Å; C43-C45 VanDerWaalsContact C-N 3.26Å; C43-C45 PolarHBondContact O-N 3.07Å; C43-C45 VanDerWaalsContact O-N 3.14Å
44	F	29.6	Very low	47.6	Very low	169 Å²	169	116.6 Å²	116.6	74%	0.741	62%	0.619	S	S	*	*			trans	-78.3	79.2	161.6	-88.3	-78.1	0	0	0	108.4	I42 F46	I42-F44 HydrophobicContact CG2-CD2 3.32Å; I42-F44 HydrophobicContact CG2-CE2 3.49Å; I42-F44 VanDerWaalsContact CG2-CE2 3.49Å; I42-F44 HydrophobicContact CG2-CG 4.39Å; I42-F44 PolarHBondContact O-N 2.89Å; F44-F46 HydrophobicContact CD1-CD2 4.25Å; F44-F46 HydrophobicContact CD1-CE2 4.2Å; F44-F46 HydrophobicContact CE1-CE2 4.39Å
45	C	33.1	Very low	45.5	Very low	100 Å²	100	122.3 Å²	122.3	68%	0.676	65%	0.649	S	S	*	*			trans	-114.5	82.2	164.7	-101.8	0	0	0	0	109.3	C43 S47	C43-C45 VanDerWaalsContact C-N 3.26Å; C43-C45 PolarHBondContact O-N 3.07Å; C43-C45 VanDerWaalsContact O-N 3.14Å; C45-S47 PolarHBondContact O-N 3.39Å
46	F	37.8	Very low	43.7	Very low	200 Å²	200	128.7 Å²	128.7	88%	0.877	68%	0.683	S	S	*	*			trans	-74.7	73.3	159.3	-86	-92.6	0	0	0	108.6	F44	F44-F46 HydrophobicContact CD1-CD2 4.25Å; F44-F46 HydrophobicContact CD1-CE2 4.2Å; F44-F46 HydrophobicContact CE1-CE2 4.39Å
47	S	37.8	Very low	42.2	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	67%	0.667	S	S	*	*			trans	-138.3	110.9	153.8	78.7	0	0	0	0	107.7	C45 Q49	C45-S47 PolarHBondContact O-N 3.39Å; S47-Q49 PolarHBondContact O-N 3.32Å; S47-Q49 VanDerWaalsContact O-N 3.14Å
48	S	40.3	Very low	41.4	Very low	112 Å²	112	123.7 Å²	123.7	78%	0.783	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	102.4	178.5	61.1	0	0	0	0	108
49	Q	41.6	Very low	41.8	Very low	190 Å²	190	122.3 Å²	122.3	89%	0.888	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.9	0.4	146.1	-95.3	169.9	7	0	0	114.3	S47	S47-Q49 PolarHBondContact O-N 3.32Å; S47-Q49 VanDerWaalsContact O-N 3.14Å
50	T	35.7	Very low	43.3	Very low	114 Å²	114	123.2 Å²	123.2	70%	0.699	66%	0.657	S	S	*	*			trans	-126.6	68.4	173.7	-34.4	0	0	0	0	111.4	N52	T50-N52 VanDerWaalsContact C-N 3.26Å; T50-N52 PolarHBondContact O-N 3.11Å; T50-N52 VanDerWaalsContact O-N 3.14Å
51	V	31.7	Very low	45.5	Very low	141 Å²	141	120 Å²	120	86%	0.855	66%	0.661	S	S	*	*			trans	-83.3	78.2	165.5	-174	0	0	0	0	107.3
52	N	30.3	Very low	48.1	Very low	141 Å²	141	117.5 Å²	117.5	75%	0.754	67%	0.668	S	S	*	*			trans	-140.6	117.6	170.2	-90.7	-39.3	0	0	0	109.1	T50	T50-N52 VanDerWaalsContact C-N 3.26Å; T50-N52 PolarHBondContact O-N 3.11Å; T50-N52 VanDerWaalsContact O-N 3.14Å
53	R	34.2	Very low	51.1	Low	231 Å²	231	112.3 Å²	112.3	87%	0.872	64%	0.642	S	S	*	*			trans	71.6	28.9	160.5	-85.3	-178.5	171	-179.8	-2.4	120.2	L55	R53-L55 HydrophobicContact CG-CD1 4.28Å; R53-L55 PolarHBondContact O-N 3.05Å
54	A	38.1	Very low	54.1	Low	79 Å²	79	111 Å²	111	65%	0.653	63%	0.632	S	S	*	*			trans	-78.4	63.3	151.4	0	0	0	0	0	109.4	L56	A54-L56 PolarHBondContact O-N 2.79Å
55	L	44.3	Very low	57.2	Low	123 Å²	123	105.4 Å²	105.4	64%	0.644	61%	0.612	S	S	*	*			trans	-61.6	128.6	173.1	-109.7	120.7	0	0	0	108.1	R53 A57	R53-L55 HydrophobicContact CG-CD1 4.28Å; R53-L55 PolarHBondContact O-N 3.05Å; L55-A57 PolarHBondContact O-N 3.47Å
56	L	48.3	Very low	60.1	Low	147 Å²	147	105 Å²	105	77%	0.77	60%	0.602	S	S	*	*			trans	-43.4	104.8	174.6	-69.5	145.6	0	0	0	110.1	A54 A58	A54-L56 PolarHBondContact O-N 2.79Å; L56-A58 PolarHBondContact O-N 2.8Å
57	A	54.8	Low	62.7	Low	18 Å²	18	101.6 Å²	101.6	15%	0.149	58%	0.584	C	S	.	*			trans	-81	40.7	-179.1	0	0	0	0	0	113.1	F15 N39 L55	F15-A57 HydrophobicContact CD2-CB 4.34Å; F15-A57 HydrophobicContact CE1-CB 4.29Å; F15-A57 HydrophobicContact CE2-CB 3.54Å; F15-A57 HydrophobicContact CZ-CB 3.49Å; F15-A57 VanDerWaalsContact CZ-CB 3.49Å; N39-A57 WeakPolarHBondContact ND2-CB 3.26Å; L55-A57 PolarHBondContact O-N 3.47Å
58	A	66.5	Low	65.3	Low	31 Å²	31	100.2 Å²	100.2	26%	0.256	57%	0.571	S	S	.	*	S	Bend	trans	-110.9	148	171.5	0	0	0	0	0	108.4	N39 L56 T60	N39-A58 HydrophobicContact CB-CB 4.31Å; L56-A58 PolarHBondContact O-N 2.8Å; A58-T60 PolarHBondContact O-N 3.07Å
59	V	82.5	Confident	67.7	Low	56 Å²	56	97.8 Å²	97.8	34%	0.339	57%	0.565	S	S	.	*			trans	-65.9	121.7	173.7	179.6	0	0	0	0	108.2	V12 L17 T37 D63	V12-V59 HydrophobicContact CG1-CG1 4.09Å; V12-V59 HydrophobicContact CG1-CG2 4.38Å; L17-V59 HydrophobicContact CD1-CG2 3.68Å; T37-V59 HydrophobicContact CG2-CG2 4.44Å; T37-V59 PolarHBondContact O-N 2.98Å; T37-V59 VanDerWaalsContact O-N 3.15Å; V59-D63 WeakPolarHBondContact CA-OD2 3.42Å
60	T	87	Confident	70.1	Confident	74 Å²	74	95.3 Å²	95.3	45%	0.454	55%	0.551	S	S	.	*			trans	-107.7	158.1	177.8	71.6	0	0	0	0	112.2	A58 G62 D63	A58-T60 PolarHBondContact O-N 3.07Å; T60-G62 PolarHBondContact O-N 3.35Å; T60-D63 PolarHBondContact N-OD2 3.42Å; T60-D63 VanDerWaalsContact N-OD2 3.07Å; T60-D63 WeakPolarHBondContact O-CB 3.4Å; T60-D63 VanDerWaalsContact O-CG 3.29Å; T60-D63 PolarHBondContact O-N 3.11Å; T60-D63 VanDerWaalsContact O-N 3.16Å; T60-D63 PolarHBondContact OG1-OD1 2.7Å
61	V	89.4	Confident	72.8	Confident	158 Å²	158	92.4 Å²	92.4	96%	0.958	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	123.7	174.2	-179.9	0	0	0	0	108.4
62	G	89.4	Confident	75.7	Confident	76 Å²	76	86.2 Å²	86.2	78%	0.784	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.3	-11.2	-175.6	0	0	0	0	0	113.8	T60	T60-G62 PolarHBondContact O-N 3.35Å
63	D	90.9	Very high	78.8	Confident	26 Å²	26	81.1 Å²	81.1	14%	0.139	47%	0.471	C	S	.	.			trans	-60	143.1	172.6	-76.1	15.5	0	0	0	111.5	H14 V59 T60	H14-D63 IonicContact CD2-OD1 3.35Å; H14-D63 IonicContact NE2-OD1 2.7Å; V59-D63 WeakPolarHBondContact CA-OD2 3.42Å; T60-D63 PolarHBondContact N-OD2 3.42Å; T60-D63 VanDerWaalsContact N-OD2 3.07Å; T60-D63 WeakPolarHBondContact O-CB 3.4Å; T60-D63 VanDerWaalsContact O-CG 3.29Å; T60-D63 PolarHBondContact O-N 3.11Å; T60-D63 VanDerWaalsContact O-N 3.16Å; T60-D63 PolarHBondContact OG1-OD1 2.7Å
64	P	93.4	Very high	81.7	Confident	57 Å²	57	70.2 Å²	70.2	37%	0.37	43%	0.431	S	S	.	.			trans	-70.2	149.6	179.6	30.1	-35.1	0	0	0	111.8	G13	G13-P64 PolarHBondContact N-O 2.9Å
65	V	93.7	Very high	84.5	Confident	53 Å²	53	68.3 Å²	68.3	32%	0.321	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110	169.8	-179.8	0	0	0	0	108.3	M1 V10 R11 V12 I31	M1-V65 HydrophobicContact CE-CG1 4.02Å; M1-V65 HydrophobicContact SD-CG1 4.5Å; V10-V65 HydrophobicContact CB-CG1 4.04Å; V10-V65 HydrophobicContact CG1-CG1 4.48Å; V10-V65 HydrophobicContact CG2-CG1 4.37Å; R11-V65 CarbonylContact O-C 3.54Å; R11-V65 WeakPolarHBondContact O-CA 3.18Å; V12-V65 HydrophobicContact CG1-CG2 4.31Å; V12-V65 HydrophobicContact CG2-CG1 4.3Å; I31-V65 HydrophobicContact CD1-CG1 3.8Å; I31-V65 HydrophobicContact CD1-CG2 4.46Å
66	L	94	Very high	87	Confident	91 Å²	91	62.5 Å²	62.5	48%	0.476	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.6	178.9	-54.5	173.1	0	0	0	110	V10 R11	V10-L66 CarbonylContact C-O 3.58Å; V10-L66 WeakPolarHBondContact CA-O 3.46Å; R11-L66 HydrophobicContact CB-CB 4.22Å; R11-L66 PolarHBondContact N-O 3.22Å; R11-L66 PolarHBondContact O-N 2.91Å
67	R	93.3	Very high	89.2	Confident	129 Å²	129	55.5 Å²	55.5	49%	0.487	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135	179.5	-71.9	-171	-61.5	152.4	2.7	110.4	M1 G3 E8 V10	M1-R67 HydrophobicContact CE-CG 3.95Å; M1-R67 HydrophobicContact SD-CG 3.96Å; G3-R67 PolarHBondContact O-NH1 3.33Å; E8-R67 WeakPolarHBondContact OE1-CB 3.28Å; V10-R67 HydrophobicContact CG1-CG 4.31Å
68	T	90.9	Very high	91.1	Very high	57 Å²	57	54.6 Å²	54.6	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-18.3	178.3	70.2	0	0	0	0	113.6	E8 L9 R11 K70	E8-T68 PolarHBondContact OE1-N 3.43Å; L9-T68 HydrophobicContact CD2-CG2 3.63Å; L9-T68 WeakPolarHBondContact O-CB 3.46Å; L9-T68 WeakPolarHBondContact O-CG2 3.45Å; L9-T68 PolarHBondContact O-N 2.83Å; L9-T68 PolarHBondContact O-OG1 3.39Å; R11-T68 HydrophobicContact CG-CG2 4.43Å; T68-K70 PolarHBondContact O-N 2.83Å; T68-K70 PolarHBondContact OG1-N 2.91Å; T68-K70 PolarHBondContact OG1-O 2.84Å
69	G	91.4	Very high	92.3	Very high	62 Å²	62	53.9 Å²	53.9	64%	0.639	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	71.4	5.7	-175.7	0	0	0	0	0	114.7	E8	E8-G69 VanDerWaalsContact OE1-CA 3.26Å; E8-G69 WeakPolarHBondContact OE1-CA 3.34Å; E8-G69 PolarHBondContact OE1-N 3.39Å
70	K	91.3	Very high	93	Very high	138 Å²	138	51.2 Å²	51.2	60%	0.6	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.6	-176.1	-63.2	179.8	-175.7	177.3	0	110.5	L9 T68	L9-K70 WeakPolarHBondContact CB-O 3.36Å; L9-K70 PolarHBondContact N-O 3.24Å; T68-K70 PolarHBondContact O-N 2.83Å; T68-K70 PolarHBondContact OG1-N 2.91Å; T68-K70 PolarHBondContact OG1-O 2.84Å
71	P	93.8	Very high	93.3	Very high	53 Å²	53	48.4 Å²	48.4	34%	0.344	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	166.6	172.1	32.3	-36.4	0	0	0	111.2	Y7 S73 P203	Y7-P71 VanDerWaalsContact O-CA 3.32Å; Y7-P71 WeakPolarHBondContact O-CA 3.46Å; P71-S73 PolarHBondContact O-N 2.78Å; P71-S73 PolarHBondContact O-OG 2.97Å; P71-P203 HydrophobicContact CG-CB 3.87Å; P71-P203 HydrophobicContact CG-CG 3.93Å
72	L	92.7	Very high	93.4	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.052	26%	0.263	C	S	.	.	S	Bend	trans	-52.8	116.6	170.1	-179.8	65.2	0	0	0	109.7	L9 Y34 P203 V204 A318	L9-L72 HydrophobicContact CD1-CB 4.2Å; L9-L72 HydrophobicContact CD1-CD1 3.56Å; L9-L72 HydrophobicContact CD1-CG 4.5Å; Y34-L72 HydrophobicContact CE2-CD2 4.45Å; L72-P203 WeakPolarHBondContact O-CA 3.34Å; L72-V204 HydrophobicContact CB-CG2 4.21Å; L72-V204 HydrophobicContact CD2-CG2 3.76Å; L72-V204 HydrophobicContact CG-CG2 3.85Å; L72-V204 PolarHBondContact O-N 3.14Å; L72-A318 HydrophobicContact CD2-CB 3.91Å
73	S	94.2	Very high	93.6	Very high	35 Å²	35	40 Å²	40	25%	0.245	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.1	-172.6	-55.9	0	0	0	0	109.8	P71 V201 W202	P71-S73 PolarHBondContact O-N 2.78Å; P71-S73 PolarHBondContact O-OG 2.97Å; S73-V201 VanDerWaalsContact CB-CG1 3.4Å; S73-W202 CarbonylContact C-O 3.53Å; S73-W202 VanDerWaalsContact CA-O 3.23Å; S73-W202 WeakPolarHBondContact CA-O 3.29Å; S73-W202 WeakPolarHBondContact CB-O 3.36Å
74	V	96.2	Very high	93.8	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.2	179.8	-71.7	0	0	0	0	110.4	L76 Q89 V201 W202 V204 T322 T325	V74-L76 HydrophobicContact CG2-CD2 3.94Å; V74-L76 HydrophobicContact CG2-CG 4.35Å; V74-Q89 HydrophobicContact CG1-CB 4.11Å; V74-Q89 HydrophobicContact CG1-CG 4.35Å; V74-V201 WeakPolarHBondContact O-CA 3.01Å; V74-W202 PolarHBondContact N-O 2.97Å; V74-W202 PolarHBondContact O-N 2.98Å; V74-V204 HydrophobicContact CB-CG1 4.14Å; V74-V204 HydrophobicContact CG1-CG1 3.33Å; V74-V204 HydrophobicContact CG2-CG1 3.88Å; V74-T322 HydrophobicContact CG1-CG2 3.91Å; V74-T325 HydrophobicContact CG2-CG2 3.56Å
75	E	96.5	Very high	93.9	Very high	39 Å²	39	37.9 Å²	37.9	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.2	171.6	-60.6	-172.8	173.1	0	0	109.7	Q89 A112 L113 R115 V199	E75-Q89 PolarHBondContact O-NE2 3.33Å; E75-A112 HydrophobicContact CB-CB 4.05Å; E75-A112 HydrophobicContact CG-CB 4.21Å; E75-L113 HydrophobicContact CB-CD1 4.21Å; E75-L113 HydrophobicContact CB-CG 4.36Å; E75-R115 IonicContact OE1-NH2 3.1Å; E75-R115 PolarHBondContact OE1-NH2 2.87Å; E75-R115 IonicContact OE2-CZ 3.59Å; E75-R115 IonicContact OE2-NH2 3.18Å; E75-R115 PolarHBondContact OE2-NH2 3.5Å; E75-V199 HydrophobicContact CB-CG1 3.94Å; E75-V199 HydrophobicContact CG-CG1 4.35Å
76	L	96.4	Very high	93.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120	-178.9	-54.8	174.3	0	0	0	108.2	V74 V199 Q200 W202 L326 Y329	V74-L76 HydrophobicContact CG2-CD2 3.94Å; V74-L76 HydrophobicContact CG2-CG 4.35Å; L76-V199 WeakPolarHBondContact O-CA 3.37Å; L76-Q200 HydrophobicContact CB-CG 3.68Å; L76-Q200 HydrophobicContact CD1-CG 4.16Å; L76-Q200 HydrophobicContact CG-CG 4.41Å; L76-Q200 PolarHBondContact N-O 3.12Å; L76-Q200 PolarHBondContact O-N 2.86Å; L76-W202 HydrophobicContact CD1-CB 3.63Å; L76-W202 HydrophobicContact CD1-CG 4.44Å; L76-W202 HydrophobicContact CG-CB 4.49Å; L76-L326 HydrophobicContact CD2-CD2 3.76Å; L76-Y329 HydrophobicContact CB-CD1 3.83Å; L76-Y329 HydrophobicContact CB-CD2 4Å; L76-Y329 HydrophobicContact CB-CE1 3.81Å; L76-Y329 HydrophobicContact CB-CE2 4.05Å; L76-Y329 HydrophobicContact CB-CG 3.88Å; L76-Y329 HydrophobicContact CD1-CD2 3.98Å; L76-Y329 HydrophobicContact CD1-CG 3.96Å; L76-Y329 HydrophobicContact CD2-CD1 4.01Å; L76-Y329 HydrophobicContact CD2-CG 3.96Å; L76-Y329 HydrophobicContact CG-CD1 4.38Å; L76-Y329 HydrophobicContact CG-CD2 4.47Å; L76-Y329 HydrophobicContact CG-CG 4.15Å
77	G	94.5	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	173.5	-173.5	-178.4	0	0	0	0	0	111.8	I80 H157	G77-I80 VanDerWaalsContact O-CD1 3.22Å; G77-I80 WeakPolarHBondContact O-CD1 3.22Å; G77-I80 VanDerWaalsContact O-CG1 3.27Å; G77-I80 WeakPolarHBondContact O-CG1 3.24Å; G77-H157 PolarHBondContact O-CE1 3.09Å
78	P	94.4	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	144.9	178.2	28.7	-33.5	0	0	0	111.5	W119 V149 I159 V180 M198	P78-W119 HydrophobicContact CB-CD2 4.02Å; P78-W119 HydrophobicContact CB-CG 4.24Å; P78-W119 HydrophobicContact CB-CZ2 4.46Å; P78-W119 HydrophobicContact CG-CD2 4.5Å; P78-W119 HydrophobicContact CG-CG 4.23Å; P78-V149 HydrophobicContact CB-CG1 3.97Å; P78-V149 HydrophobicContact CG-CG1 4.48Å; P78-I159 HydrophobicContact CG-CD1 4.33Å; P78-V180 HydrophobicContact CG-CG1 4.09Å; P78-M198 HydrophobicContact CG-CB 4.3Å; P78-M198 HydrophobicContact CG-SD 4.4Å
79	G	93.2	Very high	93.9	Very high	16 Å²	16	24 Å²	24	17%	0.165	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	8.3	-174.8	0	0	0	0	0	114.6	S83 E151	G79-S83 PolarHBondContact O-OG 3.4Å; G79-E151 VanDerWaalsContact C-OE1 3.29Å; G79-E151 VanDerWaalsContact CA-OE1 3.22Å; G79-E151 WeakPolarHBondContact CA-OE1 3.4Å; G79-E151 PolarHBondContact N-OE1 2.81Å
80	I	95.5	Very high	94	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.			trans	-85.7	-34.9	177.8	-69.5	174.7	0	0	0	110.9	G77 S83 F85 L113 E151 V303 L326 Y329 F330	G77-I80 VanDerWaalsContact O-CD1 3.22Å; G77-I80 WeakPolarHBondContact O-CD1 3.22Å; G77-I80 VanDerWaalsContact O-CG1 3.27Å; G77-I80 WeakPolarHBondContact O-CG1 3.24Å; I80-S83 WeakPolarHBondContact O-CB 3.16Å; I80-S83 PolarHBondContact O-N 3.46Å; I80-F85 HydrophobicContact CG2-CE2 4.19Å; I80-L113 HydrophobicContact CD1-CD2 4.44Å; I80-L113 HydrophobicContact CG1-CD2 3.54Å; I80-E151 PolarHBondContact N-OE1 2.91Å; I80-V303 HydrophobicContact CG2-CB 4.46Å; I80-V303 HydrophobicContact CG2-CG1 3.96Å; I80-V303 HydrophobicContact CG2-CG2 3.63Å; I80-L326 HydrophobicContact CD1-CD2 4.02Å; I80-L326 HydrophobicContact CG2-CD2 4.23Å; I80-Y329 HydrophobicContact CD1-CD1 4.38Å; I80-Y329 HydrophobicContact CD1-CE1 4.28Å; I80-F330 HydrophobicContact CB-CZ 4.21Å; I80-F330 HydrophobicContact CG2-CE2 3.81Å; I80-F330 HydrophobicContact CG2-CZ 3.9Å
81	M	93.9	Very high	94.2	Very high	15 Å²	15	15.8 Å²	15.8	7%	0.074	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	128.9	-172.8	-62.2	-58.5	-62.8	0	0	111.2	S83 E151 N152 V155 V264 K300 R301 V303 F330	M81-S83 PolarHBondContact O-N 2.77Å; M81-E151 HydrophobicContact CB-CG 4.22Å; M81-E151 WeakPolarHBondContact CB-OE1 3.14Å; M81-E151 VanDerWaalsContact CG-CD 3.46Å; M81-E151 HydrophobicContact CG-CG 4.47Å; M81-E151 WeakPolarHBondContact CG-OE2 3.43Å; M81-E151 PolarHBondContact N-OE1 2.76Å; M81-N152 WeakPolarHBondContact CB-ND2 3.42Å; M81-V155 HydrophobicContact CE-CG2 4.06Å; M81-V264 HydrophobicContact CE-CG1 4.07Å; M81-V264 HydrophobicContact CE-CG2 4.25Å; M81-V264 HydrophobicContact SD-CG1 4.23Å; M81-K300 WeakPolarHBondContact CE-O 3.38Å; M81-R301 HydrophobicContact CE-CB 4.34Å; M81-R301 WeakPolarHBondContact CE-O 3.37Å; M81-V303 HydrophobicContact SD-CG2 3.73Å; M81-F330 HydrophobicContact CG-CE1 4.07Å; M81-F330 HydrophobicContact CG-CZ 3.88Å; M81-F330 HydrophobicContact SD-CD1 4.39Å; M81-F330 HydrophobicContact SD-CE1 3.53Å; M81-F330 VanDerWaalsContact SD-CE1 3.53Å; M81-F330 HydrophobicContact SD-CE2 3.78Å; M81-F330 HydrophobicContact SD-CZ 3.17Å; M81-F330 WeakPolarHBondContact SD-CZ 3.27Å
82	G	92.2	Very high	94.2	Very high	28 Å²	28	15.1 Å²	15.1	29%	0.289	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-8.8	-173.5	0	0	0	0	0	114.5	M299 T302	G82-M299 WeakPolarHBondContact CA-O 3.1Å; G82-M299 PolarHBondContact N-O 3.13Å; G82-T302 WeakPolarHBondContact CA-O 3.48Å; G82-T302 PolarHBondContact N-O 3.48Å
83	S	93.6	Very high	94.1	Very high	29 Å²	29	17 Å²	17	20%	0.203	11%	0.106	C	C	.	.			trans	-79.2	149.8	179.5	-60.4	0	0	0	0	111.9	G79 I80 M81 L304	G79-S83 PolarHBondContact O-OG 3.4Å; I80-S83 WeakPolarHBondContact O-CB 3.16Å; I80-S83 PolarHBondContact O-N 3.46Å; M81-S83 PolarHBondContact O-N 2.77Å; S83-L304 PolarHBondContact O-N 3.29Å
84	I	94.7	Very high	94.1	Very high	38 Å²	38	17.6 Å²	17.6	20%	0.195	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	114.6	178.3	-54.2	156	0	0	0	107.8	P91 L92 L281 L304 A306	I84-P91 WeakPolarHBondContact O-CA 3.28Å; I84-L92 HydrophobicContact CG2-CB 4.41Å; I84-L92 HydrophobicContact CG2-CD1 3.9Å; I84-L92 HydrophobicContact CG2-CG 4.4Å; I84-L92 PolarHBondContact O-N 2.77Å; I84-L281 HydrophobicContact CD1-CD2 3.53Å; I84-L281 HydrophobicContact CG1-CD2 3.89Å; I84-L281 HydrophobicContact CG2-CD2 4.04Å; I84-L304 CarbonylContact C-O 3.46Å; I84-L304 WeakPolarHBondContact CA-O 3.3Å; I84-L304 HydrophobicContact CG1-CB 4.28Å; I84-L304 HydrophobicContact CG1-CD1 4.31Å; I84-L304 HydrophobicContact CG2-CB 4.22Å; I84-A306 HydrophobicContact CG2-CB 4.34Å
85	F	95.5	Very high	93.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	154.6	-177.9	-64.1	-66.3	0	0	0	112	I80 Q89 R90 P91 A112 V303 L304 V305 A306	I80-F85 HydrophobicContact CG2-CE2 4.19Å; F85-Q89 HydrophobicContact CD1-CG 3.85Å; F85-Q89 HydrophobicContact CE1-CG 4.18Å; F85-Q89 HydrophobicContact CG-CG 4.03Å; F85-R90 CarbonylContact C-O 3.43Å; F85-R90 WeakPolarHBondContact CA-O 3.39Å; F85-P91 HydrophobicContact CD1-CB 4.47Å; F85-P91 HydrophobicContact CE1-CB 4.32Å; F85-A112 WeakPolarHBondContact CE1-O 3.42Å; F85-V303 HydrophobicContact CD2-CG1 3.8Å; F85-V303 HydrophobicContact CE2-CG1 3.83Å; F85-L304 PolarHBondContact N-O 2.72Å; F85-V305 CarbonylContact O-C 3.44Å; F85-V305 WeakPolarHBondContact O-CA 3.49Å; F85-A306 PolarHBondContact O-N 3.41Å
86	D	93.3	Very high	93.8	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	12%	0.117	C	C	.	.			trans	-83	-176.6	162.2	78	-3.2	0	0	0	112.2	I88 Q89 R90 L92	D86-I88 PolarHBondContact O-N 2.85Å; D86-I88 VanDerWaalsContact O-N 3.15Å; D86-I88 WeakPolarHBondContact OD1-CG1 3.38Å; D86-I88 PolarHBondContact OD1-N 3.11Å; D86-Q89 PolarHBondContact O-N 3.01Å; D86-Q89 VanDerWaalsContact O-N 3.12Å; D86-Q89 PolarHBondContact OD1-N 3.27Å; D86-R90 PolarHBondContact N-O 2.7Å; D86-R90 PolarHBondContact OD1-N 2.84Å; D86-R90 IonicContact OD1-NE 3.22Å; D86-R90 IonicContact OD2-CZ 3.63Å; D86-R90 IonicContact OD2-NE 3.67Å; D86-R90 PolarHBondContact OD2-NE 3.22Å; D86-R90 IonicContact OD2-NH2 2.72Å; D86-R90 PolarHBondContact OD2-NH2 3.46Å; D86-L92 HydrophobicContact CB-CD2 4.09Å
87	G	91.1	Very high	93.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.9	-178.2	0	0	0	0	0	115.7	A318 S319 T322	G87-A318 CarbonylContact O-C 3.54Å; G87-A318 WeakPolarHBondContact O-CB 3.31Å; G87-S319 PolarHBondContact O-N 3.21Å; G87-T322 PolarHBondContact O-OG1 3.22Å
88	I	91.7	Very high	93.4	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.128	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	21.1	178.1	60.1	169.2	0	0	0	112.4	V18 Y34 D86 R90 A318	V18-I88 HydrophobicContact CB-CD1 4.21Å; V18-I88 HydrophobicContact CG2-CD1 3.99Å; Y34-I88 HydrophobicContact CD1-CG2 4.36Å; Y34-I88 HydrophobicContact CD2-CG2 4.44Å; Y34-I88 HydrophobicContact CG-CG2 4.07Å; D86-I88 PolarHBondContact O-N 2.85Å; D86-I88 VanDerWaalsContact O-N 3.15Å; D86-I88 WeakPolarHBondContact OD1-CG1 3.38Å; D86-I88 PolarHBondContact OD1-N 3.11Å; I88-R90 HydrophobicContact CD1-CG 4.44Å; I88-R90 HydrophobicContact CG1-CG 4.19Å; I88-A318 HydrophobicContact CG2-CB 4.28Å
89	Q	95.1	Very high	93.2	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	67.8	32.7	174.8	-151.7	-162.3	12	0	0	115.9	V74 E75 F85 D86 A112 T322	V74-Q89 HydrophobicContact CG1-CB 4.11Å; V74-Q89 HydrophobicContact CG1-CG 4.35Å; E75-Q89 PolarHBondContact O-NE2 3.33Å; F85-Q89 HydrophobicContact CD1-CG 3.85Å; F85-Q89 HydrophobicContact CE1-CG 4.18Å; F85-Q89 HydrophobicContact CG-CG 4.03Å; D86-Q89 PolarHBondContact O-N 3.01Å; D86-Q89 VanDerWaalsContact O-N 3.12Å; D86-Q89 PolarHBondContact OD1-N 3.27Å; Q89-A112 HydrophobicContact CG-CB 4.06Å; Q89-A112 VanDerWaalsContact O-CB 3.27Å; Q89-A112 WeakPolarHBondContact O-CB 3.15Å; Q89-T322 HydrophobicContact CB-CG2 4.14Å; Q89-T322 HydrophobicContact CG-CG2 4.3Å
90	R	94.3	Very high	93.2	Very high	27 Å²	27	39.7 Å²	39.7	10%	0.102	22%	0.219	C	C	.	.			trans	-90.2	131.5	169.8	-59.1	178.8	-64.3	-167.2	-3.8	110.9	E35 F85 D86 I88 L92 I95 V108	E35-R90 IonicContact OE1-NH1 3.67Å; E35-R90 IonicContact OE2-NH1 2.63Å; F85-R90 CarbonylContact C-O 3.43Å; F85-R90 WeakPolarHBondContact CA-O 3.39Å; D86-R90 PolarHBondContact N-O 2.7Å; D86-R90 PolarHBondContact OD1-N 2.84Å; D86-R90 IonicContact OD1-NE 3.22Å; D86-R90 IonicContact OD2-CZ 3.63Å; D86-R90 IonicContact OD2-NE 3.67Å; D86-R90 PolarHBondContact OD2-NE 3.22Å; D86-R90 IonicContact OD2-NH2 2.72Å; D86-R90 PolarHBondContact OD2-NH2 3.46Å; I88-R90 HydrophobicContact CD1-CG 4.44Å; I88-R90 HydrophobicContact CG1-CG 4.19Å; R90-L92 PolarHBondContact O-N 2.83Å; R90-I95 HydrophobicContact CB-CD1 3.73Å; R90-V108 WeakPolarHBondContact CD-O 3.49Å; R90-V108 PolarHBondContact NH1-O 3.25Å
91	P	95.1	Very high	92.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.013	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-69.7	118.3	179.8	25.4	-33.1	0	0	0	111.1	I84 F85 S93 D94 I95 I110	I84-P91 WeakPolarHBondContact O-CA 3.28Å; F85-P91 HydrophobicContact CD1-CB 4.47Å; F85-P91 HydrophobicContact CE1-CB 4.32Å; P91-S93 VanDerWaalsContact C-N 3.32Å; P91-S93 PolarHBondContact O-N 2.82Å; P91-D94 HydrophobicContact CB-CB 4.15Å; P91-D94 HydrophobicContact CG-CB 3.84Å; P91-D94 WeakPolarHBondContact CG-OD2 3.45Å; P91-D94 PolarHBondContact O-N 3.19Å; P91-I95 VanDerWaalsContact O-CG1 3.29Å; P91-I95 WeakPolarHBondContact O-CG1 3.39Å; P91-I95 PolarHBondContact O-N 3.44Å; P91-I95 VanDerWaalsContact O-N 3.1Å; P91-I110 HydrophobicContact CG-CG2 4.11Å
92	L	93.3	Very high	92.8	Very high	39 Å²	39	48.4 Å²	48.4	20%	0.204	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-31.8	-177.9	-68.5	-175.3	0	0	0	112.6	I84 D86 R90 I95 A96 I104 A306	I84-L92 HydrophobicContact CG2-CB 4.41Å; I84-L92 HydrophobicContact CG2-CD1 3.9Å; I84-L92 HydrophobicContact CG2-CG 4.4Å; I84-L92 PolarHBondContact O-N 2.77Å; D86-L92 HydrophobicContact CB-CD2 4.09Å; R90-L92 PolarHBondContact O-N 2.83Å; L92-I95 HydrophobicContact CD2-CD1 4.3Å; L92-A96 WeakPolarHBondContact O-CB 3.29Å; L92-A96 PolarHBondContact O-N 2.89Å; L92-A96 VanDerWaalsContact O-N 3.12Å; L92-I104 HydrophobicContact CD2-CD1 3.72Å; L92-I104 HydrophobicContact CD2-CG1 4.5Å; L92-A306 HydrophobicContact CD1-CB 4.06Å
93	S	92.2	Very high	92.7	Very high	49 Å²	49	55.3 Å²	55.3	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-52.3	173.4	45.4	0	0	0	0	111	P91 I95 A96 E97	P91-S93 VanDerWaalsContact C-N 3.32Å; P91-S93 PolarHBondContact O-N 2.82Å; S93-I95 VanDerWaalsContact C-N 3.34Å; S93-I95 PolarHBondContact O-N 2.8Å; S93-A96 WeakPolarHBondContact O-CB 3.37Å; S93-A96 PolarHBondContact O-N 2.9Å; S93-A96 VanDerWaalsContact O-N 3.13Å; S93-E97 WeakPolarHBondContact O-CG 3.09Å; S93-E97 PolarHBondContact O-N 3.44Å
94	D	93.2	Very high	92.5	Very high	47 Å²	47	57.2 Å²	57.2	25%	0.251	29%	0.294	S	S	.	.	H	α-helix	trans	-73.2	-31.9	-172.2	-51.8	10	0	0	0	110.5	P91 L98 I110	P91-D94 HydrophobicContact CB-CB 4.15Å; P91-D94 HydrophobicContact CG-CB 3.84Å; P91-D94 WeakPolarHBondContact CG-OD2 3.45Å; P91-D94 PolarHBondContact O-N 3.19Å; D94-L98 WeakPolarHBondContact O-CB 3.31Å; D94-L98 PolarHBondContact O-N 3.4Å; D94-I110 HydrophobicContact CB-CG2 4.35Å
95	I	93.3	Very high	92.2	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-47.5	169.9	-68.4	164.8	0	0	0	110.5	R90 P91 L92 S93 E97 L98 T99 I104 V108 I110	R90-I95 HydrophobicContact CB-CD1 3.73Å; P91-I95 VanDerWaalsContact O-CG1 3.29Å; P91-I95 WeakPolarHBondContact O-CG1 3.39Å; P91-I95 PolarHBondContact O-N 3.44Å; P91-I95 VanDerWaalsContact O-N 3.1Å; L92-I95 HydrophobicContact CD2-CD1 4.3Å; S93-I95 VanDerWaalsContact C-N 3.34Å; S93-I95 PolarHBondContact O-N 2.8Å; I95-E97 VanDerWaalsContact C-N 3.34Å; I95-L98 PolarHBondContact O-N 3.09Å; I95-T99 HydrophobicContact CG2-CG2 4.32Å; I95-T99 WeakPolarHBondContact O-CB 3.43Å; I95-T99 VanDerWaalsContact O-CG2 3.26Å; I95-T99 WeakPolarHBondContact O-CG2 3.32Å; I95-T99 PolarHBondContact O-N 2.78Å; I95-T99 PolarHBondContact O-OG1 3.27Å; I95-I104 HydrophobicContact CD1-CG2 4.45Å; I95-I104 HydrophobicContact CG2-CG1 4.42Å; I95-I104 HydrophobicContact CG2-CG2 4.36Å; I95-V108 HydrophobicContact CD1-CG1 4.31Å; I95-V108 HydrophobicContact CG1-CG1 4.43Å; I95-I110 HydrophobicContact CB-CD1 4.23Å; I95-I110 HydrophobicContact CG1-CD1 3.6Å
96	A	92.9	Very high	91.7	Very high	49 Å²	49	60.7 Å²	60.7	41%	0.405	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-41	-178.8	0	0	0	0	0	111.5	L92 S93 H100	L92-A96 WeakPolarHBondContact O-CB 3.29Å; L92-A96 PolarHBondContact O-N 2.89Å; L92-A96 VanDerWaalsContact O-N 3.12Å; S93-A96 WeakPolarHBondContact O-CB 3.37Å; S93-A96 PolarHBondContact O-N 2.9Å; S93-A96 VanDerWaalsContact O-N 3.13Å; A96-H100 WeakPolarHBondContact O-CA 3.39Å; A96-H100 PolarHBondContact O-N 3.39Å; A96-H100 VanDerWaalsContact O-N 3.09Å
97	E	92.7	Very high	91.3	Very high	137 Å²	137	61.3 Å²	61.3	64%	0.64	32%	0.32	S	S	*	.	H	α-helix	trans	-67.2	-45.3	177	-72	-179.2	-170.9	0	0	112.4	S93 I95 H100	S93-E97 WeakPolarHBondContact O-CG 3.09Å; S93-E97 PolarHBondContact O-N 3.44Å; I95-E97 VanDerWaalsContact C-N 3.34Å; E97-H100 PolarHBondContact O-CE1 2.9Å; E97-H100 PolarHBondContact O-ND1 3.3Å
98	L	91	Very high	91.2	Very high	116 Å²	116	62 Å²	62	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-67.1	-40.2	-178.6	-177.8	68.7	0	0	0	112.6	D94 I95 I110	D94-L98 WeakPolarHBondContact O-CB 3.31Å; D94-L98 PolarHBondContact O-N 3.4Å; I95-L98 PolarHBondContact O-N 3.09Å; L98-I110 HydrophobicContact CB-CD1 4.26Å; L98-I110 HydrophobicContact CD2-CD1 3.51Å; L98-I110 HydrophobicContact CD2-CG1 3.82Å
99	T	90.4	Very high	91	Very high	42 Å²	42	65.5 Å²	65.5	26%	0.258	34%	0.344	S	S	.	.	H	α-helix	trans	-91.8	-14.6	-171.4	64.1	0	0	0	0	113	I95 S101 P105	I95-T99 HydrophobicContact CG2-CG2 4.32Å; I95-T99 WeakPolarHBondContact O-CB 3.43Å; I95-T99 VanDerWaalsContact O-CG2 3.26Å; I95-T99 WeakPolarHBondContact O-CG2 3.32Å; I95-T99 PolarHBondContact O-N 2.78Å; I95-T99 PolarHBondContact O-OG1 3.27Å; T99-S101 PolarHBondContact O-N 2.62Å; T99-S101 VanDerWaalsContact O-N 3.09Å; T99-P105 HydrophobicContact CG2-CG 3.53Å
100	H	91.4	Very high	90.8	Very high	174 Å²	174	66.6 Å²	66.6	81%	0.806	35%	0.349	S	S	*	.			trans	47.4	33.9	-171.7	-59.8	-58	0	0	0	113	A96 E97	A96-H100 WeakPolarHBondContact O-CA 3.39Å; A96-H100 PolarHBondContact O-N 3.39Å; A96-H100 VanDerWaalsContact O-N 3.09Å; E97-H100 PolarHBondContact O-CE1 2.9Å; E97-H100 PolarHBondContact O-ND1 3.3Å
101	S	90.4	Very high	90.7	Very high	47 Å²	47	69.1 Å²	69.1	33%	0.329	37%	0.365	S	S	.	.	S	Bend	trans	-129	150.4	-174.7	177.3	0	0	0	0	109.9	T99 Y103	T99-S101 PolarHBondContact O-N 2.62Å; T99-S101 VanDerWaalsContact O-N 3.09Å; S101-Y103 PolarHBondContact OG-N 3.11Å; S101-Y103 PolarHBondContact OG-O 2.93Å
102	I	91.3	Very high	90.6	Very high	151 Å²	151	69.5 Å²	69.5	77%	0.774	37%	0.368	S	S	*	.	S	Bend	trans	-78.8	-10.5	170.7	63.4	172.4	0	0	0	112.5
103	Y	90.4	Very high	90.7	Very high	174 Å²	174	67.8 Å²	67.8	68%	0.682	36%	0.359	S	S	*	.	S	Bend	trans	-105.5	139.4	-178.6	-60.2	-70.1	0	0	0	110.9	S101 P105	S101-Y103 PolarHBondContact OG-N 3.11Å; S101-Y103 PolarHBondContact OG-O 2.93Å; Y103-P105 VanDerWaalsContact O-CD 3.27Å; Y103-P105 WeakPolarHBondContact O-CD 3.4Å
104	I	89.3	Confident	90.7	Very high	68 Å²	68	66.8 Å²	66.8	35%	0.349	35%	0.352	S	S	.	.			trans	-77.2	115.2	172.8	-58	170.3	0	0	0	108.2	L92 I95 V108 M311	L92-I104 HydrophobicContact CD2-CD1 3.72Å; L92-I104 HydrophobicContact CD2-CG1 4.5Å; I95-I104 HydrophobicContact CD1-CG2 4.45Å; I95-I104 HydrophobicContact CG2-CG1 4.42Å; I95-I104 HydrophobicContact CG2-CG2 4.36Å; I104-V108 HydrophobicContact CG2-CG1 4Å; I104-M311 HydrophobicContact CD1-CE 3.86Å
105	P	88.3	Confident	90.7	Very high	53 Å²	53	67 Å²	67	34%	0.344	35%	0.349	S	S	.	.			trans	-67.7	149	176.7	-17.9	32.7	0	0	0	111.3	T99 Y103 V108	T99-P105 HydrophobicContact CG2-CG 3.53Å; Y103-P105 VanDerWaalsContact O-CD 3.27Å; Y103-P105 WeakPolarHBondContact O-CD 3.4Å; P105-V108 VanDerWaalsContact O-CG1 3.27Å; P105-V108 WeakPolarHBondContact O-CG1 3.36Å
106	K	84.7	Confident	90.6	Very high	58 Å²	58	70.8 Å²	70.8	25%	0.252	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	141.4	172.8	-61	-175.2	-179.3	-170.2	0	110.7	L17 D36 C38 N39 V108	L17-K106 HydrophobicContact CD2-CB 3.97Å; D36-K106 PolarHBondContact O-NZ 2.76Å; C38-K106 PolarHBondContact O-NZ 3.26Å; N39-K106 PolarHBondContact OD1-NZ 3.03Å; K106-V108 PolarHBondContact O-N 2.85Å
107	G	85.1	Confident	90.5	Very high	17 Å²	17	73.1 Å²	73.1	18%	0.175	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	10.7	179.3	0	0	0	0	0	114	F15 E35 N109	F15-G107 WeakPolarHBondContact O-CA 3.37Å; E35-G107 PolarHBondContact OE2-N 3.28Å; G107-N109 PolarHBondContact O-N 2.78Å; G107-N109 VanDerWaalsContact O-N 3.15Å
108	V	88.9	Confident	90.5	Very high	17 Å²	17	71 Å²	71	10%	0.103	37%	0.373	C	S	.	.			trans	-64.3	118.8	177.7	67.8	0	0	0	0	109.5	R90 I95 I104 P105 K106 I110	R90-V108 WeakPolarHBondContact CD-O 3.49Å; R90-V108 PolarHBondContact NH1-O 3.25Å; I95-V108 HydrophobicContact CD1-CG1 4.31Å; I95-V108 HydrophobicContact CG1-CG1 4.43Å; I104-V108 HydrophobicContact CG2-CG1 4Å; P105-V108 VanDerWaalsContact O-CG1 3.27Å; P105-V108 WeakPolarHBondContact O-CG1 3.36Å; K106-V108 PolarHBondContact O-N 2.85Å; V108-I110 HydrophobicContact CG2-CD1 3.8Å; V108-I110 HydrophobicContact CG2-CG1 3.9Å
109	N	87.8	Confident	90.7	Very high	98 Å²	98	67.1 Å²	67.1	52%	0.524	35%	0.35	S	S	.	.			trans	-114.8	94.2	-178	-166.6	28	0	0	0	109	R11 G107	R11-N109 PolarHBondContact NH2-OD1 3.33Å; R11-N109 VanDerWaalsContact NH2-OD1 3.09Å; G107-N109 PolarHBondContact O-N 2.78Å; G107-N109 VanDerWaalsContact O-N 3.15Å
110	I	90.4	Very high	90.8	Very high	31 Å²	31	68.1 Å²	68.1	16%	0.159	35%	0.354	C	S	.	.			trans	-117.7	143.2	176.9	-63.5	174.4	0	0	0	107.2	P91 D94 I95 L98 V108	P91-I110 HydrophobicContact CG-CG2 4.11Å; D94-I110 HydrophobicContact CB-CG2 4.35Å; I95-I110 HydrophobicContact CB-CD1 4.23Å; I95-I110 HydrophobicContact CG1-CD1 3.6Å; L98-I110 HydrophobicContact CB-CD1 4.26Å; L98-I110 HydrophobicContact CD2-CD1 3.51Å; L98-I110 HydrophobicContact CD2-CG1 3.82Å; V108-I110 HydrophobicContact CG2-CD1 3.8Å; V108-I110 HydrophobicContact CG2-CG1 3.9Å
111	N	92.8	Very high	90.9	Very high	79 Å²	79	59.9 Å²	59.9	42%	0.422	32%	0.316	S	S	.	.			trans	-65.4	142.5	176.7	-66.8	-11.2	0	0	0	110.2	L113 R115	N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.24Å; N111-R115 WeakPolarHBondContact ND2-CG 3.47Å; N111-R115 PolarHBondContact ND2-NE 2.73Å
112	A	93.7	Very high	90.9	Very high	11 Å²	11	60.2 Å²	60.2	9%	0.091	31%	0.312	C	S	.	.	S	Bend	trans	-63	-38	179.7	0	0	0	0	0	111.8	E75 F85 Q89	E75-A112 HydrophobicContact CB-CB 4.05Å; E75-A112 HydrophobicContact CG-CB 4.21Å; F85-A112 WeakPolarHBondContact CE1-O 3.42Å; Q89-A112 HydrophobicContact CG-CB 4.06Å; Q89-A112 VanDerWaalsContact O-CB 3.27Å; Q89-A112 WeakPolarHBondContact O-CB 3.15Å
113	L	93.9	Very high	90.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	-112.1	140.2	177.8	-55	175.9	0	0	0	110.8	E75 I80 N111 R115 V199	E75-L113 HydrophobicContact CB-CD1 4.21Å; E75-L113 HydrophobicContact CB-CG 4.36Å; I80-L113 HydrophobicContact CD1-CD2 4.44Å; I80-L113 HydrophobicContact CG1-CD2 3.54Å; N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.24Å; L113-R115 PolarHBondContact O-N 3.09Å; L113-V199 HydrophobicContact CD1-CG1 4.24Å; L113-V199 HydrophobicContact CD1-CG2 3.62Å
114	S	92.7	Very high	89.9	Confident	28 Å²	28	45.7 Å²	45.7	20%	0.196	25%	0.25	C	C	.	.			trans	-65	125.1	179	-177.7	0	0	0	0	111.2	S116 V180	S114-S116 VanDerWaalsContact C-N 3.33Å; S114-S116 PolarHBondContact OG-N 2.88Å; S114-S116 PolarHBondContact OG-OG 3.06Å; S114-V180 VanDerWaalsContact O-CG2 3.27Å; S114-V180 WeakPolarHBondContact O-CG2 3.46Å
115	R	92.5	Very high	88.5	Confident	51 Å²	51	44.4 Å²	44.4	19%	0.192	25%	0.246	C	C	.	.	S	Bend	trans	-84.5	-8.8	176.9	-51.1	-51.1	-172.2	-175.8	-16.7	113.5	E75 N111 L113 R179 V180 D181	E75-R115 IonicContact OE1-NH2 3.1Å; E75-R115 PolarHBondContact OE1-NH2 2.87Å; E75-R115 IonicContact OE2-CZ 3.59Å; E75-R115 IonicContact OE2-NH2 3.18Å; E75-R115 PolarHBondContact OE2-NH2 3.5Å; N111-R115 WeakPolarHBondContact ND2-CG 3.47Å; N111-R115 PolarHBondContact ND2-NE 2.73Å; L113-R115 PolarHBondContact O-N 3.09Å; R115-R179 WeakPolarHBondContact O-CD 3.19Å; R115-V180 VanDerWaalsContact CD-CG2 3.42Å; R115-D181 WeakPolarHBondContact CD-OD1 3.34Å; R115-D181 WeakPolarHBondContact CD-OD2 3.36Å; R115-D181 IonicContact CZ-OD1 2.73Å; R115-D181 IonicContact NE-OD1 3.26Å; R115-D181 PolarHBondContact NE-OD1 3.4Å; R115-D181 IonicContact NE-OD2 3.61Å; R115-D181 IonicContact NH1-OD1 2.65Å; R115-D181 PolarHBondContact NH1-OD1 2.61Å
116	S	91.3	Very high	86.8	Confident	84 Å²	84	46.7 Å²	46.7	59%	0.587	26%	0.256	S	S	*	.	S	Bend	trans	-95.3	-18.6	-177.6	54.4	0	0	0	0	113.6	S114	S114-S116 VanDerWaalsContact C-N 3.33Å; S114-S116 PolarHBondContact OG-N 2.88Å; S114-S116 PolarHBondContact OG-OG 3.06Å
117	M	91.3	Very high	85.3	Confident	98 Å²	98	47.3 Å²	47.3	48%	0.483	26%	0.259	S	S	.	.			trans	-78.4	131.9	178.8	-65.3	-173.6	-158.8	0	0	110.6	W119	M117-W119 HydrophobicContact SD-CZ2 4.28Å
118	D	93.1	Very high	83.2	Confident	91 Å²	91	58.4 Å²	58.4	49%	0.487	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.2	173.1	-53.2	-39	0	0	0	109.3	N177 R179	D118-N177 HydrophobicContact CB-CB 4.18Å; D118-R179 WeakPolarHBondContact OD1-CG 3.26Å; D118-R179 IonicContact OD1-NE 3.02Å; D118-R179 PolarHBondContact OD1-NE 3.46Å
119	W	94.8	Very high	81	Confident	36 Å²	36	64 Å²	64	14%	0.136	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.8	-177.5	-64.4	102.3	0	0	0	110.8	P78 M117 F121 V149 E151 N177 Y178 M198	P78-W119 HydrophobicContact CB-CD2 4.02Å; P78-W119 HydrophobicContact CB-CG 4.24Å; P78-W119 HydrophobicContact CB-CZ2 4.46Å; P78-W119 HydrophobicContact CG-CD2 4.5Å; P78-W119 HydrophobicContact CG-CG 4.23Å; M117-W119 HydrophobicContact SD-CZ2 4.28Å; W119-F121 PolarHBondContact O-N 3.28Å; W119-F121 VanDerWaalsContact O-N 3.07Å; W119-V149 HydrophobicContact CB-CG1 3.71Å; W119-V149 HydrophobicContact CD2-CG1 4.16Å; W119-V149 HydrophobicContact CE3-CG1 3.93Å; W119-V149 HydrophobicContact CG-CG1 4.12Å; W119-E151 HydrophobicContact CH2-CG 4.01Å; W119-E151 HydrophobicContact CZ3-CB 4.3Å; W119-E151 HydrophobicContact CZ3-CG 4.01Å; W119-N177 WeakPolarHBondContact O-CA 3.44Å; W119-Y178 PolarHBondContact N-O 3.44Å; W119-Y178 PolarHBondContact O-N 3.1Å; W119-M198 HydrophobicContact CB-CE 4.31Å
120	D	93.5	Very high	78.9	Confident	63 Å²	63	61.2 Å²	61.2	34%	0.337	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	98.5	174.1	179.8	33.6	0	0	0	110.1	Q122	D120-Q122 PolarHBondContact OD2-NE2 3.15Å
121	F	92.9	Very high	76.6	Confident	1 Å²	1	69.4 Å²	69.4	0%	0.004	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.5	178.2	176.8	-102.6	0	0	0	110.3	W119 P123 V149 I159 P175 G176 Y178 V184 M198	W119-F121 PolarHBondContact O-N 3.28Å; W119-F121 VanDerWaalsContact O-N 3.07Å; F121-P123 HydrophobicContact CE1-CB 4.08Å; F121-V149 HydrophobicContact CB-CG2 4.26Å; F121-V149 HydrophobicContact CD2-CG2 3.91Å; F121-I159 HydrophobicContact CD2-CG1 4.15Å; F121-I159 HydrophobicContact CE2-CB 4.23Å; F121-I159 HydrophobicContact CE2-CG1 3.99Å; F121-P175 VanDerWaalsContact O-CA 3.28Å; F121-P175 WeakPolarHBondContact O-CA 3.23Å; F121-G176 PolarHBondContact N-O 3.12Å; F121-G176 PolarHBondContact O-N 3.36Å; F121-G176 VanDerWaalsContact O-N 3.17Å; F121-Y178 HydrophobicContact CB-CD2 3.76Å; F121-Y178 HydrophobicContact CB-CE2 4.32Å; F121-Y178 HydrophobicContact CD1-CD2 4.45Å; F121-Y178 HydrophobicContact CD1-CE2 4.38Å; F121-Y178 HydrophobicContact CG-CD2 4.5Å; F121-V184 HydrophobicContact CD1-CG1 4.45Å; F121-V184 HydrophobicContact CE1-CB 4.32Å; F121-V184 HydrophobicContact CE1-CG1 4.48Å; F121-V184 HydrophobicContact CG-CG1 4.49Å; F121-V184 HydrophobicContact CZ-CB 4.22Å; F121-M198 HydrophobicContact CB-SD 4.28Å; F121-M198 HydrophobicContact CD2-SD 4.02Å; F121-M198 HydrophobicContact CG-SD 4.45Å
122	Q	91.1	Very high	74.7	Confident	53 Å²	53	69 Å²	69	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.1	176.2	-61.6	-178.7	7	0	0	109.7	D120 F127 G147 V148	D120-Q122 PolarHBondContact OD2-NE2 3.15Å; Q122-F127 HydrophobicContact CB-CE2 4.43Å; Q122-G147 CarbonylContact O-C 3.56Å; Q122-G147 WeakPolarHBondContact O-CA 3.41Å; Q122-V148 PolarHBondContact N-O 3.03Å; Q122-V148 PolarHBondContact O-N 2.78Å
123	P	86	Confident	73.2	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.026	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.5	-179.6	26.4	-33.3	0	0	0	111.2	F121 S125 N126 I172	F121-P123 HydrophobicContact CE1-CB 4.08Å; P123-S125 PolarHBondContact O-N 3.28Å; P123-N126 PolarHBondContact O-N 3.39Å; P123-N126 VanDerWaalsContact O-N 3.14Å; P123-I172 HydrophobicContact CB-CD1 3.83Å; P123-I172 HydrophobicContact CB-CG1 4.2Å
124	S	74.4	Confident	72.3	Confident	17 Å²	17	72.4 Å²	72.4	12%	0.119	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-55.6	-21.2	-175.3	-62.8	0	0	0	0	114	N126 F127 V145 I146 G147	S124-N126 PolarHBondContact O-N 2.8Å; S124-F127 PolarHBondContact O-N 3.16Å; S124-F127 VanDerWaalsContact O-N 3.07Å; S124-V145 PolarHBondContact OG-O 3Å; S124-I146 PolarHBondContact N-O 3.27Å; S124-I146 VanDerWaalsContact N-O 3.07Å; S124-I146 VanDerWaalsContact OG-C 3.27Å; S124-I146 PolarHBondContact OG-O 2.8Å; S124-G147 PolarHBondContact OG-N 2.83Å
125	S	59	Low	71.8	Confident	40 Å²	40	77.5 Å²	77.5	28%	0.28	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-52.3	-24.1	174.9	62.4	0	0	0	0	115.3	P123	P123-S125 PolarHBondContact O-N 3.28Å
126	N	52.9	Low	71.6	Confident	101 Å²	101	79.7 Å²	79.7	54%	0.54	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-92.1	-11.5	-178.6	-72.3	-18.3	0	0	0	114.1	P123 S124 R128	P123-N126 PolarHBondContact O-N 3.39Å; P123-N126 VanDerWaalsContact O-N 3.14Å; S124-N126 PolarHBondContact O-N 2.8Å; N126-R128 PolarHBondContact O-N 3.27Å
127	F	52.9	Low	71.4	Confident	71 Å²	71	77.9 Å²	77.9	31%	0.311	41%	0.406	S	S	.	.			trans	-85.7	110.7	179.5	-76.3	-85.2	0	0	0	110.3	Q122 S124 V129 V148	Q122-F127 HydrophobicContact CB-CE2 4.43Å; S124-F127 PolarHBondContact O-N 3.16Å; S124-F127 VanDerWaalsContact O-N 3.07Å; F127-V129 PolarHBondContact O-N 2.96Å; F127-V148 HydrophobicContact CD2-CG2 4.34Å; F127-V148 HydrophobicContact CE2-CB 3.86Å; F127-V148 HydrophobicContact CE2-CG2 3.64Å; F127-V148 HydrophobicContact CZ-CB 4.02Å; F127-V148 HydrophobicContact CZ-CG1 4.42Å; F127-V148 HydrophobicContact CZ-CG2 3.94Å
128	R	41.9	Very low	71.3	Confident	251 Å²	251	74.9 Å²	74.9	95%	0.947	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-4.6	171.1	-75.3	-174.8	170.4	-175.9	-2.2	114.3	N126	N126-R128 PolarHBondContact O-N 3.27Å
129	V	43.4	Very low	71.2	Confident	134 Å²	134	77.6 Å²	77.6	81%	0.812	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-2.3	-162.5	-173.1	0	0	0	0	113.4	F127	F127-V129 PolarHBondContact O-N 2.96Å
130	A	41.8	Very low	71.1	Confident	40 Å²	40	76.2 Å²	76.2	33%	0.331	40%	0.4	S	S	.	.	S	Bend	trans	-144.5	133.3	169.3	0	0	0	0	0	111	L132 P391	A130-L132 PolarHBondContact O-N 2.83Å; A130-P391 HydrophobicContact CB-CB 3.86Å; A130-P391 HydrophobicContact CB-CG 4.14Å
131	Q	43.5	Very low	71	Confident	203 Å²	203	75.5 Å²	75.5	95%	0.949	40%	0.4	S	S	*	.	S	Bend	trans	-57.7	4.6	-171.3	-75.5	170.7	-40.5	0	0	117.1
132	L	52.6	Low	71	Confident	71 Å²	71	76 Å²	76	37%	0.372	41%	0.405	S	S	.	.			trans	-105.8	91.7	175	-91.5	95.6	0	0	0	111.4	A130 L134 N390	A130-L132 PolarHBondContact O-N 2.83Å; L132-L134 HydrophobicContact CD2-CD2 4.25Å; L132-L134 PolarHBondContact O-N 2.84Å; L132-L134 VanDerWaalsContact O-N 3.11Å; L132-N390 HydrophobicContact CD1-CB 3.99Å; L132-N390 HydrophobicContact CD2-CB 4.19Å
133	V	62.9	Low	71	Confident	77 Å²	77	73.8 Å²	73.8	47%	0.467	40%	0.396	S	S	.	.			trans	-73.4	98.2	159.3	-176.2	0	0	0	0	107.1	K135	V133-K135 HydrophobicContact CG1-CD 4.44Å; V133-K135 HydrophobicContact CG1-CG 4Å; V133-K135 PolarHBondContact O-N 3.43Å
134	L	75	Confident	71.3	Confident	7 Å²	7	73.8 Å²	73.8	4%	0.037	40%	0.396	C	S	.	.			trans	-63.7	117.4	173.3	-66.6	177.2	0	0	0	109.1	L132 V140 I146 I169 I172	L132-L134 HydrophobicContact CD2-CD2 4.25Å; L132-L134 PolarHBondContact O-N 2.84Å; L132-L134 VanDerWaalsContact O-N 3.11Å; L134-V140 HydrophobicContact CD2-CG1 3.77Å; L134-I146 HydrophobicContact CD1-CB 4.49Å; L134-I169 HydrophobicContact CB-CD1 4.07Å; L134-I169 HydrophobicContact CD1-CD1 4.48Å; L134-I169 HydrophobicContact CD2-CD1 3.92Å; L134-I169 HydrophobicContact CG-CD1 4.38Å; L134-I172 HydrophobicContact CB-CD1 4.21Å
135	K	80.6	Confident	72.2	Confident	135 Å²	135	73.4 Å²	73.4	59%	0.587	39%	0.393	S	S	*	.			trans	-121.7	161.2	174.1	-64.7	-177.6	-177.6	178.2	0	109.1	V133 G137 S138	V133-K135 HydrophobicContact CG1-CD 4.44Å; V133-K135 HydrophobicContact CG1-CG 4Å; V133-K135 PolarHBondContact O-N 3.43Å; K135-G137 PolarHBondContact O-N 3.09Å; K135-S138 PolarHBondContact N-OG 3.34Å; K135-S138 VanDerWaalsContact N-OG 3.15Å; K135-S138 VanDerWaalsContact O-CB 3.26Å; K135-S138 WeakPolarHBondContact O-CB 3.34Å; K135-S138 PolarHBondContact O-N 2.85Å; K135-S138 PolarHBondContact O-OG 3.06Å
136	V	88.6	Confident	73.7	Confident	97 Å²	97	71.7 Å²	71.7	59%	0.588	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	127.9	165.3	179.6	0	0	0	0	108.1	T170	V136-T170 WeakPolarHBondContact CG1-O 3.37Å
137	G	88.2	Confident	75.5	Confident	46 Å²	46	66.9 Å²	66.9	47%	0.474	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-9.9	-172.8	0	0	0	0	0	115.3	K135 T168 I169	K135-G137 PolarHBondContact O-N 3.09Å; G137-T168 WeakPolarHBondContact O-CG2 3.32Å; G137-I169 PolarHBondContact N-O 3.09Å
138	S	89.4	Confident	77.4	Confident	35 Å²	35	64.1 Å²	64.1	25%	0.245	34%	0.344	C	S	.	.			trans	-72	142.5	173.8	-63	0	0	0	0	111.5	K135 T168 I169	K135-S138 PolarHBondContact N-OG 3.34Å; K135-S138 VanDerWaalsContact N-OG 3.15Å; K135-S138 VanDerWaalsContact O-CB 3.26Å; K135-S138 WeakPolarHBondContact O-CB 3.34Å; K135-S138 PolarHBondContact O-N 2.85Å; K135-S138 PolarHBondContact O-OG 3.06Å; S138-T168 WeakPolarHBondContact O-CA 3.21Å; S138-I169 PolarHBondContact O-N 3.09Å
139	H	90.8	Very high	79.9	Confident	147 Å²	147	52.1 Å²	52.1	68%	0.681	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.8	171.2	-65.1	-69.3	0	0	0	110.7	T168	H139-T168 PolarHBondContact CE1-OG1 3.37Å; H139-T168 PolarHBondContact ND1-OG1 2.97Å
140	V	91.4	Very high	82.2	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.8	175.7	-71.2	0	0	0	0	111.5	L134 D144 L161 C166 G167 I169 A187	L134-V140 HydrophobicContact CD2-CG1 3.77Å; V140-D144 VanDerWaalsContact CA-OD2 3.29Å; V140-D144 WeakPolarHBondContact CA-OD2 3.46Å; V140-L161 HydrophobicContact CB-CD2 4.28Å; V140-L161 HydrophobicContact CG2-CD2 3.97Å; V140-C166 WeakPolarHBondContact O-CA 3.42Å; V140-G167 WeakPolarHBondContact CG2-O 3.44Å; V140-G167 PolarHBondContact N-O 3.21Å; V140-G167 PolarHBondContact O-N 3.14Å; V140-I169 HydrophobicContact CG1-CD1 3.53Å; V140-I169 HydrophobicContact CG1-CG1 3.79Å; V140-I169 HydrophobicContact CG2-CG1 3.91Å; V140-A187 HydrophobicContact CG2-CB 4.4Å
141	S	92.3	Very high	84.5	Confident	48 Å²	48	48.2 Å²	48.2	34%	0.336	27%	0.265	S	S	.	.			trans	-128.5	165.9	179.1	72.5	0	0	0	0	111.6	G143 D144 S165	S141-G143 PolarHBondContact O-N 2.72Å; S141-D144 PolarHBondContact N-OD2 2.81Å; S141-D144 VanDerWaalsContact O-CB 3.29Å; S141-D144 WeakPolarHBondContact O-CB 3.35Å; S141-D144 PolarHBondContact O-N 2.83Å; S141-D144 VanDerWaalsContact O-N 3.09Å; S141-D144 PolarHBondContact OG-OD1 2.89Å; S141-D144 VanDerWaalsContact OG-OD1 3.11Å; S141-D144 PolarHBondContact OG-OD2 2.92Å; S141-S165 CarbonylContact C-O 3.48Å
142	G	92.5	Very high	86.6	Confident	11 Å²	11	40 Å²	40	11%	0.113	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	130.7	-179.6	0	0	0	0	0	111.6	P162 S165	G142-P162 WeakPolarHBondContact CA-O 3.48Å; G142-S165 WeakPolarHBondContact CA-O 3.39Å; G142-S165 PolarHBondContact N-O 3.49Å
143	G	92	Very high	88.2	Confident	6 Å²	6	41.1 Å²	41.1	6%	0.062	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-7.7	-174.2	0	0	0	0	0	114.7	S141 V145 L161 L388 R393	S141-G143 PolarHBondContact O-N 2.72Å; G143-V145 PolarHBondContact O-N 2.8Å; G143-L161 PolarHBondContact N-O 3.2Å; G143-L388 CarbonylContact C-O 3.49Å; G143-R393 PolarHBondContact O-NH2 2.77Å
144	D	92.5	Very high	89.4	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	23%	0.225	C	C	.	.			trans	-63.2	136.9	175.3	-71.5	-6.2	0	0	0	110.9	V140 S141 I146 M160 L161 G389 N390	V140-D144 VanDerWaalsContact CA-OD2 3.29Å; V140-D144 WeakPolarHBondContact CA-OD2 3.46Å; S141-D144 PolarHBondContact N-OD2 2.81Å; S141-D144 VanDerWaalsContact O-CB 3.29Å; S141-D144 WeakPolarHBondContact O-CB 3.35Å; S141-D144 PolarHBondContact O-N 2.83Å; S141-D144 VanDerWaalsContact O-N 3.09Å; S141-D144 PolarHBondContact OG-OD1 2.89Å; S141-D144 VanDerWaalsContact OG-OD1 3.11Å; S141-D144 PolarHBondContact OG-OD2 2.92Å; D144-I146 PolarHBondContact O-N 2.85Å; D144-M160 CarbonylContact O-C 3.59Å; D144-M160 VanDerWaalsContact O-CA 3.3Å; D144-M160 WeakPolarHBondContact O-CA 3.26Å; D144-L161 PolarHBondContact O-N 2.7Å; D144-G389 WeakPolarHBondContact OD1-CA 3.35Å; D144-N390 WeakPolarHBondContact CA-O 3.29Å; D144-N390 PolarHBondContact OD1-N 3.11Å; D144-N390 PolarHBondContact OD1-ND2 2.88Å
145	V	92.2	Very high	90	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	112	178.3	174.3	0	0	0	0	109.5	S124 G143 K158 I159 M160 N390	S124-V145 PolarHBondContact OG-O 3Å; G143-V145 PolarHBondContact O-N 2.8Å; V145-K158 HydrophobicContact CG1-CB 4.01Å; V145-K158 HydrophobicContact CG1-CG 4.45Å; V145-K158 HydrophobicContact CG2-CB 4.11Å; V145-K158 HydrophobicContact CG2-CD 4.34Å; V145-I159 CarbonylContact C-O 3.56Å; V145-I159 WeakPolarHBondContact CA-O 3.17Å; V145-M160 HydrophobicContact CG2-CG 3.91Å; V145-N390 PolarHBondContact N-O 3.31Å
146	I	90.7	Very high	90.6	Very high	3 Å²	3	38 Å²	38	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-28.4	-175.8	65.3	170.8	0	0	0	112.5	S124 L134 D144 I159 L161 V184 L185	S124-I146 PolarHBondContact N-O 3.27Å; S124-I146 VanDerWaalsContact N-O 3.07Å; S124-I146 VanDerWaalsContact OG-C 3.27Å; S124-I146 PolarHBondContact OG-O 2.8Å; L134-I146 HydrophobicContact CD1-CB 4.49Å; D144-I146 PolarHBondContact O-N 2.85Å; I146-I159 HydrophobicContact CD1-CB 4.34Å; I146-I159 HydrophobicContact CD1-CG2 3.58Å; I146-I159 HydrophobicContact CG1-CB 3.83Å; I146-I159 HydrophobicContact CG1-CG2 3.61Å; I146-I159 WeakPolarHBondContact CG1-O 3.39Å; I146-I159 PolarHBondContact N-O 2.87Å; I146-L161 HydrophobicContact CG2-CB 4.33Å; I146-V184 HydrophobicContact CD1-CG2 3.82Å; I146-L185 HydrophobicContact CD1-CB 4.34Å; I146-L185 HydrophobicContact CG2-CD2 4.13Å
147	G	90.5	Very high	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-179.3	177.2	0	0	0	0	0	111.9	Q122 S124 I159	Q122-G147 CarbonylContact O-C 3.56Å; Q122-G147 WeakPolarHBondContact O-CA 3.41Å; S124-G147 PolarHBondContact OG-N 2.83Å; G147-I159 PolarHBondContact O-N 2.94Å
148	V	93.1	Very high	91.2	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.7	-178.6	-177.9	0	0	0	0	108.7	Q122 F127 K156 H157 K158	Q122-V148 PolarHBondContact N-O 3.03Å; Q122-V148 PolarHBondContact O-N 2.78Å; F127-V148 HydrophobicContact CD2-CG2 4.34Å; F127-V148 HydrophobicContact CE2-CB 3.86Å; F127-V148 HydrophobicContact CE2-CG2 3.64Å; F127-V148 HydrophobicContact CZ-CB 4.02Å; F127-V148 HydrophobicContact CZ-CG1 4.42Å; F127-V148 HydrophobicContact CZ-CG2 3.94Å; V148-K156 HydrophobicContact CG1-CB 3.91Å; V148-H157 WeakPolarHBondContact CA-O 3.18Å; V148-K158 HydrophobicContact CG2-CG 4.45Å
149	V	94	Very high	91.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.4	170.4	171.3	0	0	0	0	108.1	P78 W119 F121 E151 H157 I159 M198	P78-V149 HydrophobicContact CB-CG1 3.97Å; P78-V149 HydrophobicContact CG-CG1 4.48Å; W119-V149 HydrophobicContact CB-CG1 3.71Å; W119-V149 HydrophobicContact CD2-CG1 4.16Å; W119-V149 HydrophobicContact CE3-CG1 3.93Å; W119-V149 HydrophobicContact CG-CG1 4.12Å; F121-V149 HydrophobicContact CB-CG2 4.26Å; F121-V149 HydrophobicContact CD2-CG2 3.91Å; V149-E151 PolarHBondContact O-N 3.28Å; V149-H157 HydrophobicContact CB-CB 4.33Å; V149-H157 PolarHBondContact N-O 3.02Å; V149-H157 WeakPolarHBondContact O-CA 3.49Å; V149-H157 VanDerWaalsContact O-CB 3.31Å; V149-H157 WeakPolarHBondContact O-CB 3.35Å; V149-H157 PolarHBondContact O-N 3.47Å; V149-I159 HydrophobicContact CB-CD1 4.4Å; V149-I159 HydrophobicContact CG2-CD1 3.9Å; V149-I159 HydrophobicContact CG2-CG1 3.85Å; V149-M198 HydrophobicContact CG2-SD 3.69Å
150	H	91.1	Very high	91.6	Very high	72 Å²	72	25.5 Å²	25.5	33%	0.333	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	94.2	172.7	-65.7	87.2	0	0	0	108.6
151	E	89.8	Confident	91.7	Very high	20 Å²	20	25.2 Å²	25.2	9%	0.093	14%	0.136	C	C	.	.			trans	-72.6	-37.6	-178.5	-176.4	169.8	-167.2	0	0	111.3	G79 I80 M81 W119 V149 V155 H157	G79-E151 VanDerWaalsContact C-OE1 3.29Å; G79-E151 VanDerWaalsContact CA-OE1 3.22Å; G79-E151 WeakPolarHBondContact CA-OE1 3.4Å; G79-E151 PolarHBondContact N-OE1 2.81Å; I80-E151 PolarHBondContact N-OE1 2.91Å; M81-E151 HydrophobicContact CB-CG 4.22Å; M81-E151 WeakPolarHBondContact CB-OE1 3.14Å; M81-E151 VanDerWaalsContact CG-CD 3.46Å; M81-E151 HydrophobicContact CG-CG 4.47Å; M81-E151 WeakPolarHBondContact CG-OE2 3.43Å; M81-E151 PolarHBondContact N-OE1 2.76Å; W119-E151 HydrophobicContact CH2-CG 4.01Å; W119-E151 HydrophobicContact CZ3-CB 4.3Å; W119-E151 HydrophobicContact CZ3-CG 4.01Å; V149-E151 PolarHBondContact O-N 3.28Å; E151-V155 PolarHBondContact N-O 3.37Å; E151-H157 HydrophobicContact CB-CB 4.18Å; E151-H157 IonicContact OE2-CE1 2.79Å; E151-H157 IonicContact OE2-CG 3Å; E151-H157 IonicContact OE2-ND1 2.84Å; E151-H157 PolarHBondContact OE2-ND1 3.3Å
152	N	88	Confident	91.8	Very high	30 Å²	30	24.5 Å²	24.5	16%	0.16	13%	0.13	C	C	.	.	S	Bend	trans	-154.8	-178.7	174	42.8	48.1	0	0	0	109.9	M81 L154 V155 K300	M81-N152 WeakPolarHBondContact CB-ND2 3.42Å; N152-L154 PolarHBondContact O-N 3.24Å; N152-V155 WeakPolarHBondContact OD1-CA 3.22Å; N152-V155 VanDerWaalsContact OD1-CB 3.26Å; N152-V155 WeakPolarHBondContact OD1-CB 3.35Å; N152-V155 PolarHBondContact OD1-N 2.96Å; N152-K300 HydrophobicContact CB-CB 4.39Å; N152-K300 HydrophobicContact CB-CD 4.38Å; N152-K300 HydrophobicContact CB-CG 4.45Å; N152-K300 PolarHBondContact ND2-O 3.2Å
153	T	87.4	Confident	91.8	Very high	95 Å²	95	25.1 Å²	25.1	58%	0.583	13%	0.132	S	C	*	.	S	Bend	trans	-62.3	-27.9	-177.2	40.1	0	0	0	0	113.2	E296 K300	T153-E296 WeakPolarHBondContact CB-OE1 3.41Å; T153-E296 PolarHBondContact OG1-OE1 3.39Å; T153-K300 PolarHBondContact OG1-NZ 2.79Å
154	L	86.4	Confident	91.7	Very high	41 Å²	41	33.8 Å²	33.8	22%	0.215	16%	0.163	C	C	.	.	S	Bend	trans	-95.4	-42.1	-176.5	-62.8	178.3	0	0	0	113.1	N152 I291 E296 K300 R301	N152-L154 PolarHBondContact O-N 3.24Å; L154-I291 HydrophobicContact CD1-CD1 4.2Å; L154-I291 HydrophobicContact CD2-CB 4.1Å; L154-I291 HydrophobicContact CD2-CD1 4.06Å; L154-E296 HydrophobicContact CD1-CB 3.81Å; L154-E296 HydrophobicContact CD2-CB 4.17Å; L154-E296 HydrophobicContact CD2-CG 4.2Å; L154-E296 HydrophobicContact CG-CB 4.06Å; L154-E296 HydrophobicContact CG-CG 4.25Å; L154-K300 HydrophobicContact CD1-CB 4.35Å; L154-R301 HydrophobicContact CD1-CB 4.35Å
155	V	89.4	Confident	91.7	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.03	17%	0.168	C	C	.	.			trans	-107.9	121	-168.9	-174.9	0	0	0	0	111.3	M81 E151 N152 R301 Y335	M81-V155 HydrophobicContact CE-CG2 4.06Å; E151-V155 PolarHBondContact N-O 3.37Å; N152-V155 WeakPolarHBondContact OD1-CA 3.22Å; N152-V155 VanDerWaalsContact OD1-CB 3.26Å; N152-V155 WeakPolarHBondContact OD1-CB 3.35Å; N152-V155 PolarHBondContact OD1-N 2.96Å; V155-R301 HydrophobicContact CG2-CB 4.39Å; V155-Y335 HydrophobicContact CG1-CE2 4.05Å
156	K	92.2	Very high	91.7	Very high	108 Å²	108	36.4 Å²	36.4	47%	0.47	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	96.7	172.7	-67.7	-178.7	180	173	0	108.9	V148 K158 Y335	V148-K156 HydrophobicContact CG1-CB 3.91Å; K156-K158 PolarHBondContact O-N 3.23Å; K156-K158 VanDerWaalsContact O-N 3.09Å; K156-Y335 PolarHBondContact N-OH 3.08Å; K156-Y335 VanDerWaalsContact N-OH 3.11Å; K156-Y335 PolarHBondContact O-OH 3.37Å
157	H	94.9	Very high	91.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	106.6	-175.9	-156.8	117.9	0	0	0	110.5	G77 V148 V149 E151 I159 Y329 M333	G77-H157 PolarHBondContact O-CE1 3.09Å; V148-H157 WeakPolarHBondContact CA-O 3.18Å; V149-H157 HydrophobicContact CB-CB 4.33Å; V149-H157 PolarHBondContact N-O 3.02Å; V149-H157 WeakPolarHBondContact O-CA 3.49Å; V149-H157 VanDerWaalsContact O-CB 3.31Å; V149-H157 WeakPolarHBondContact O-CB 3.35Å; V149-H157 PolarHBondContact O-N 3.47Å; E151-H157 HydrophobicContact CB-CB 4.18Å; E151-H157 IonicContact OE2-CE1 2.79Å; E151-H157 IonicContact OE2-CG 3Å; E151-H157 IonicContact OE2-ND1 2.84Å; E151-H157 PolarHBondContact OE2-ND1 3.3Å; H157-I159 PolarHBondContact O-N 2.91Å; H157-Y329 AromaticContact CE1-CE1 3.75Å; H157-Y329 AromaticContact NE2-CE1 3.42Å; H157-Y329 WeakPolarHBondContact NE2-CE1 3.38Å; H157-Y329 AromaticContact NE2-CZ 3.5Å; H157-Y329 PolarHBondContact NE2-OH 3.38Å; H157-M333 VanDerWaalsContact CD2-CE 3.47Å; H157-M333 WeakPolarHBondContact CD2-CE 3.29Å; H157-M333 WeakPolarHBondContact NE2-CE 3.27Å
158	K	94.1	Very high	91.9	Very high	53 Å²	53	38.6 Å²	38.6	23%	0.23	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.2	179.2	-60.7	178.4	-163.9	163.4	0	108.8	V145 V148 K156 M160 M333	V145-K158 HydrophobicContact CG1-CB 4.01Å; V145-K158 HydrophobicContact CG1-CG 4.45Å; V145-K158 HydrophobicContact CG2-CB 4.11Å; V145-K158 HydrophobicContact CG2-CD 4.34Å; V148-K158 HydrophobicContact CG2-CG 4.45Å; K156-K158 PolarHBondContact O-N 3.23Å; K156-K158 VanDerWaalsContact O-N 3.09Å; K158-M160 PolarHBondContact O-N 3.3Å; K158-M333 HydrophobicContact CB-CB 4.25Å; K158-M333 HydrophobicContact CB-CG 4.14Å; K158-M333 HydrophobicContact CB-SD 4.44Å; K158-M333 HydrophobicContact CD-CB 4.31Å; K158-M333 WeakPolarHBondContact CD-O 3.27Å; K158-M333 WeakPolarHBondContact CE-O 3.22Å; K158-M333 PolarHBondContact NZ-O 2.9Å
159	I	94.5	Very high	91.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.8	175	-49.6	-59.1	0	0	0	107.5	P78 F121 V145 I146 G147 V149 H157 M198	P78-I159 HydrophobicContact CG-CD1 4.33Å; F121-I159 HydrophobicContact CD2-CG1 4.15Å; F121-I159 HydrophobicContact CE2-CB 4.23Å; F121-I159 HydrophobicContact CE2-CG1 3.99Å; V145-I159 CarbonylContact C-O 3.56Å; V145-I159 WeakPolarHBondContact CA-O 3.17Å; I146-I159 HydrophobicContact CD1-CB 4.34Å; I146-I159 HydrophobicContact CD1-CG2 3.58Å; I146-I159 HydrophobicContact CG1-CB 3.83Å; I146-I159 HydrophobicContact CG1-CG2 3.61Å; I146-I159 WeakPolarHBondContact CG1-O 3.39Å; I146-I159 PolarHBondContact N-O 2.87Å; G147-I159 PolarHBondContact O-N 2.94Å; V149-I159 HydrophobicContact CB-CD1 4.4Å; V149-I159 HydrophobicContact CG2-CD1 3.9Å; V149-I159 HydrophobicContact CG2-CG1 3.85Å; H157-I159 PolarHBondContact O-N 2.91Å; I159-M198 HydrophobicContact CD1-CB 4.22Å; I159-M198 HydrophobicContact CD1-CG 4.38Å; I159-M198 HydrophobicContact CG1-CG 4.45Å
160	M	94	Very high	91.9	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.6	-175.8	-64.6	175.4	-66.9	0	0	110.5	D144 V145 K158 Y329 D332 M333	D144-M160 CarbonylContact O-C 3.59Å; D144-M160 VanDerWaalsContact O-CA 3.3Å; D144-M160 WeakPolarHBondContact O-CA 3.26Å; V145-M160 HydrophobicContact CG2-CG 3.91Å; K158-M160 PolarHBondContact O-N 3.3Å; M160-Y329 HydrophobicContact CE-CD2 3.83Å; M160-Y329 HydrophobicContact CE-CE2 3.53Å; M160-D332 HydrophobicContact CE-CB 3.79Å; M160-D332 VanDerWaalsContact SD-C 3.53Å; M160-D332 HydrophobicContact SD-CB 3.97Å; M160-M333 HydrophobicContact CE-CE 4.31Å; M160-M333 HydrophobicContact CE-CG 3.51Å; M160-M333 HydrophobicContact SD-CG 4.12Å
161	L	93.9	Very high	92	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.206	C	C	.	.			trans	-66.1	137.2	171.9	-162.8	70.8	0	0	0	110.1	V140 G143 D144 I146 L185 Y196	V140-L161 HydrophobicContact CB-CD2 4.28Å; V140-L161 HydrophobicContact CG2-CD2 3.97Å; G143-L161 PolarHBondContact N-O 3.2Å; D144-L161 PolarHBondContact O-N 2.7Å; I146-L161 HydrophobicContact CG2-CB 4.33Å; L161-L185 HydrophobicContact CD1-CD2 3.74Å; L161-Y196 HydrophobicContact CD1-CD1 3.79Å; L161-Y196 HydrophobicContact CD1-CD2 3.81Å; L161-Y196 HydrophobicContact CD1-CE1 3.97Å; L161-Y196 HydrophobicContact CD1-CE2 3.98Å; L161-Y196 HydrophobicContact CD1-CG 3.71Å
162	P	94.7	Very high	92.1	Very high	34 Å²	34	40.9 Å²	40.9	22%	0.221	21%	0.209	C	C	.	.			trans	-57.2	142.2	179.9	-24.2	32.4	0	0	0	111.9	G142 R164 S165 Y196 Q200	G142-P162 WeakPolarHBondContact CA-O 3.48Å; P162-R164 PolarHBondContact O-N 3.01Å; P162-S165 VanDerWaalsContact O-CB 3.28Å; P162-S165 WeakPolarHBondContact O-CB 3.43Å; P162-S165 PolarHBondContact O-N 2.88Å; P162-S165 PolarHBondContact O-OG 3.14Å; P162-S165 VanDerWaalsContact O-OG 3.14Å; P162-Y196 HydrophobicContact CG-CD1 4.16Å; P162-Y196 HydrophobicContact CG-CE1 4.41Å; P162-Q200 HydrophobicContact CG-CB 4Å
163	P	92	Very high	92.3	Very high	23 Å²	23	39.5 Å²	39.5	15%	0.149	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.9	-168.1	-28.3	33.8	0	0	0	117.1	S165 W202 P209	P163-S165 VanDerWaalsContact C-N 3.35Å; P163-W202 HydrophobicContact CB-CH2 4.22Å; P163-W202 HydrophobicContact CB-CZ3 4.17Å; P163-W202 HydrophobicContact CG-CE3 4.44Å; P163-W202 HydrophobicContact CG-CH2 4.05Å; P163-W202 HydrophobicContact CG-CZ3 3.79Å; P163-P209 HydrophobicContact CB-CG 3.46Å; P163-P209 VanDerWaalsContact CB-CG 3.46Å; P163-P209 HydrophobicContact CG-CG 3.95Å
164	R	91.2	Very high	92.5	Very high	188 Å²	188	38.7 Å²	38.7	71%	0.709	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	1.9	-179.4	-62.2	-175.1	-177	165.3	6.7	113.9	P162	P162-R164 PolarHBondContact O-N 3.01Å
165	S	91.1	Very high	92.8	Very high	19 Å²	19	40.2 Å²	40.2	13%	0.133	21%	0.21	C	C	.	.			trans	-99.8	139.5	-172.9	-47.6	0	0	0	0	110.1	S141 G142 P162 P163 Y196	S141-S165 CarbonylContact C-O 3.48Å; G142-S165 WeakPolarHBondContact CA-O 3.39Å; G142-S165 PolarHBondContact N-O 3.49Å; P162-S165 VanDerWaalsContact O-CB 3.28Å; P162-S165 WeakPolarHBondContact O-CB 3.43Å; P162-S165 PolarHBondContact O-N 2.88Å; P162-S165 PolarHBondContact O-OG 3.14Å; P162-S165 VanDerWaalsContact O-OG 3.14Å; P163-S165 VanDerWaalsContact C-N 3.35Å; S165-Y196 WeakPolarHBondContact CB-OH 3.39Å; S165-Y196 WeakPolarHBondContact OG-CE1 3.47Å
166	C	92.4	Very high	92.9	Very high	51 Å²	51	41 Å²	41	35%	0.345	22%	0.22	S	C	.	.			trans	-148	164.7	169.2	59.5	0	0	0	0	108.8	V140 F189	V140-C166 WeakPolarHBondContact O-CA 3.42Å; C166-F189 WeakPolarHBondContact O-CB 3.38Å; C166-F189 VanDerWaalsContact SG-CE2 3.59Å
167	G	92.8	Very high	93	Very high	7 Å²	7	41.4 Å²	41.4	7%	0.072	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-174	176.3	0	0	0	0	0	113	V140 E188	V140-G167 WeakPolarHBondContact CG2-O 3.44Å; V140-G167 PolarHBondContact N-O 3.21Å; V140-G167 PolarHBondContact O-N 3.14Å; G167-E188 CarbonylContact C-O 3.56Å; G167-E188 VanDerWaalsContact CA-O 3.28Å; G167-E188 WeakPolarHBondContact CA-O 3.33Å
168	T	93.8	Very high	93	Very high	42 Å²	42	43.4 Å²	43.4	26%	0.258	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.2	173.6	-59.4	0	0	0	0	109.4	G137 S138 H139 T170 A187 E188	G137-T168 WeakPolarHBondContact O-CG2 3.32Å; S138-T168 WeakPolarHBondContact O-CA 3.21Å; H139-T168 PolarHBondContact CE1-OG1 3.37Å; H139-T168 PolarHBondContact ND1-OG1 2.97Å; T168-T170 PolarHBondContact O-N 2.69Å; T168-A187 CarbonylContact O-C 3.38Å; T168-A187 VanDerWaalsContact O-CA 3.3Å; T168-A187 WeakPolarHBondContact O-CA 3.29Å; T168-E188 PolarHBondContact N-O 3.32Å; T168-E188 PolarHBondContact O-N 2.74Å
169	I	93.1	Very high	93	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	125.2	179.4	-60.9	175.4	0	0	0	109.5	L134 G137 S138 V140 I172 L185	L134-I169 HydrophobicContact CB-CD1 4.07Å; L134-I169 HydrophobicContact CD1-CD1 4.48Å; L134-I169 HydrophobicContact CD2-CD1 3.92Å; L134-I169 HydrophobicContact CG-CD1 4.38Å; G137-I169 PolarHBondContact N-O 3.09Å; S138-I169 PolarHBondContact O-N 3.09Å; V140-I169 HydrophobicContact CG1-CD1 3.53Å; V140-I169 HydrophobicContact CG1-CG1 3.79Å; V140-I169 HydrophobicContact CG2-CG1 3.91Å; I169-I172 HydrophobicContact CG2-CB 4.31Å; I169-L185 HydrophobicContact CD1-CD1 4.01Å; I169-L185 HydrophobicContact CG1-CD1 4.03Å; I169-L185 HydrophobicContact CG2-CD1 3.86Å
170	T	93.6	Very high	93	Very high	39 Å²	39	46.1 Å²	46.1	24%	0.239	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-29.8	173.2	56.8	0	0	0	0	112	V136 T168 E186 E188	V136-T170 WeakPolarHBondContact CG1-O 3.37Å; T168-T170 PolarHBondContact O-N 2.69Å; T170-E186 PolarHBondContact N-O 3.04Å; T170-E186 WeakPolarHBondContact OG1-CB 3.47Å; T170-E186 PolarHBondContact OG1-O 2.95Å; T170-E188 HydrophobicContact CG2-CB 3.7Å
171	F	92.8	Very high	92.9	Very high	84 Å²	84	49.7 Å²	49.7	37%	0.368	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140.6	176.5	171.3	-100.1	0	0	0	110.1	A173 L185 E186	F171-A173 HydrophobicContact CE1-CB 4.26Å; F171-A173 HydrophobicContact CZ-CB 4.36Å; F171-L185 WeakPolarHBondContact O-CA 3.27Å; F171-E186 HydrophobicContact CB-CB 4Å; F171-E186 HydrophobicContact CB-CG 4.08Å; F171-E186 HydrophobicContact CD1-CG 4.1Å; F171-E186 PolarHBondContact N-O 2.94Å; F171-E186 PolarHBondContact O-N 2.74Å
172	I	92.1	Very high	93	Very high	29 Å²	29	52.7 Å²	52.7	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.3	169.9	-172.2	166.9	0	0	0	107.9	P123 L134 I169 L185	P123-I172 HydrophobicContact CB-CD1 3.83Å; P123-I172 HydrophobicContact CB-CG1 4.2Å; L134-I172 HydrophobicContact CB-CD1 4.21Å; I169-I172 HydrophobicContact CG2-CB 4.31Å; I172-L185 HydrophobicContact CB-CD1 4.07Å; I172-L185 HydrophobicContact CD1-CD1 4.27Å; I172-L185 HydrophobicContact CG1-CD1 4.06Å
173	A	92.3	Very high	93	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.3	137	-179.2	0	0	0	0	0	111	F171 Y178 V184	F171-A173 HydrophobicContact CE1-CB 4.26Å; F171-A173 HydrophobicContact CZ-CB 4.36Å; A173-Y178 HydrophobicContact CB-CE1 4.14Å; A173-Y178 HydrophobicContact CB-CE2 4.38Å; A173-V184 HydrophobicContact CB-CB 4.44Å; A173-V184 PolarHBondContact N-O 2.97Å
174	P	91	Very high	93.1	Very high	77 Å²	77	52.3 Å²	52.3	50%	0.5	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-65.6	161.7	174.1	28.1	-33.8	0	0	0	111.1	G176 Y178	P174-G176 PolarHBondContact O-N 3.13Å; P174-Y178 VanDerWaalsContact CD-OH 3.31Å; P174-Y178 WeakPolarHBondContact CD-OH 3.48Å; P174-Y178 WeakPolarHBondContact CG-OH 3.33Å; P174-Y178 WeakPolarHBondContact O-CE2 3.42Å; P174-Y178 PolarHBondContact O-OH 3.39Å
175	P	92	Very high	93.1	Very high	74 Å²	74	43.4 Å²	43.4	48%	0.481	24%	0.241	S	C	.	.	S	Bend	trans	-57.9	138.1	175.4	24.8	-34	0	0	0	111.6	F121	F121-P175 VanDerWaalsContact O-CA 3.28Å; F121-P175 WeakPolarHBondContact O-CA 3.23Å
176	G	92.5	Very high	93.3	Very high	22 Å²	22	44.7 Å²	44.7	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-175.9	-178.3	0	0	0	0	0	113.1	F121 P174 Y178	F121-G176 PolarHBondContact N-O 3.12Å; F121-G176 PolarHBondContact O-N 3.36Å; F121-G176 VanDerWaalsContact O-N 3.17Å; P174-G176 PolarHBondContact O-N 3.13Å; G176-Y178 WeakPolarHBondContact O-CD2 3.44Å; G176-Y178 WeakPolarHBondContact O-CE2 3.42Å
177	N	94.7	Very high	93.4	Very high	115 Å²	115	42.3 Å²	42.3	62%	0.615	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.2	178.1	-67.3	-31.7	0	0	0	110.2	D118 W119	D118-N177 HydrophobicContact CB-CB 4.18Å; W119-N177 WeakPolarHBondContact O-CA 3.44Å
178	Y	94.5	Very high	93.4	Very high	43 Å²	43	45.4 Å²	45.4	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.7	179.4	-62.9	-87.8	0	0	0	111	W119 F121 A173 P174 G176 D182 M198	W119-Y178 PolarHBondContact N-O 3.44Å; W119-Y178 PolarHBondContact O-N 3.1Å; F121-Y178 HydrophobicContact CB-CD2 3.76Å; F121-Y178 HydrophobicContact CB-CE2 4.32Å; F121-Y178 HydrophobicContact CD1-CD2 4.45Å; F121-Y178 HydrophobicContact CD1-CE2 4.38Å; F121-Y178 HydrophobicContact CG-CD2 4.5Å; A173-Y178 HydrophobicContact CB-CE1 4.14Å; A173-Y178 HydrophobicContact CB-CE2 4.38Å; P174-Y178 VanDerWaalsContact CD-OH 3.31Å; P174-Y178 WeakPolarHBondContact CD-OH 3.48Å; P174-Y178 WeakPolarHBondContact CG-OH 3.33Å; P174-Y178 WeakPolarHBondContact O-CE2 3.42Å; P174-Y178 PolarHBondContact O-OH 3.39Å; G176-Y178 WeakPolarHBondContact O-CD2 3.44Å; G176-Y178 WeakPolarHBondContact O-CE2 3.42Å; Y178-D182 HydrophobicContact CD1-CB 4.12Å; Y178-M198 WeakPolarHBondContact O-CE 3.47Å
179	R	95	Very high	93.4	Very high	112 Å²	112	49.5 Å²	49.5	42%	0.423	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	159.8	169.8	-65.2	176.2	176	-173.4	0.4	110.3	R115 D118 D181 D182 M198	R115-R179 WeakPolarHBondContact O-CD 3.19Å; D118-R179 WeakPolarHBondContact OD1-CG 3.26Å; D118-R179 IonicContact OD1-NE 3.02Å; D118-R179 PolarHBondContact OD1-NE 3.46Å; R179-D181 PolarHBondContact O-N 2.89Å; R179-D181 VanDerWaalsContact O-N 3.11Å; R179-D182 PolarHBondContact N-OD2 3.25Å; R179-D182 WeakPolarHBondContact O-CB 3.46Å; R179-D182 PolarHBondContact O-N 2.71Å; R179-M198 VanDerWaalsContact C-CE 3.48Å; R179-M198 WeakPolarHBondContact O-CE 3.36Å
180	V	93	Very high	93.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.9	176.6	-73.9	0	0	0	0	114.5	P78 S114 R115 T197 V199	P78-V180 HydrophobicContact CG-CG1 4.09Å; S114-V180 VanDerWaalsContact O-CG2 3.27Å; S114-V180 WeakPolarHBondContact O-CG2 3.46Å; R115-V180 VanDerWaalsContact CD-CG2 3.42Å; V180-T197 WeakPolarHBondContact O-CB 3.43Å; V180-T197 PolarHBondContact O-OG1 2.69Å; V180-V199 HydrophobicContact CB-CG2 3.63Å; V180-V199 HydrophobicContact CG1-CG2 4Å
181	D	93.4	Very high	93.1	Very high	81 Å²	81	55.3 Å²	55.3	43%	0.433	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-9.5	179.7	-69.1	-12.4	0	0	0	113.6	R115 R179 T197	R115-D181 WeakPolarHBondContact CD-OD1 3.34Å; R115-D181 WeakPolarHBondContact CD-OD2 3.36Å; R115-D181 IonicContact CZ-OD1 2.73Å; R115-D181 IonicContact NE-OD1 3.26Å; R115-D181 PolarHBondContact NE-OD1 3.4Å; R115-D181 IonicContact NE-OD2 3.61Å; R115-D181 IonicContact NH1-OD1 2.65Å; R115-D181 PolarHBondContact NH1-OD1 2.61Å; R179-D181 PolarHBondContact O-N 2.89Å; R179-D181 VanDerWaalsContact O-N 3.11Å; D181-T197 VanDerWaalsContact O-CG2 3.26Å; D181-T197 WeakPolarHBondContact O-CG2 3.26Å
182	D	95	Very high	93.1	Very high	65 Å²	65	58 Å²	58	35%	0.348	33%	0.329	S	S	.	.	S	Bend	trans	-71.6	143.1	179.2	-65.6	-25.8	0	0	0	110.2	Y178 R179 V184 T197	Y178-D182 HydrophobicContact CD1-CB 4.12Å; R179-D182 PolarHBondContact N-OD2 3.25Å; R179-D182 WeakPolarHBondContact O-CB 3.46Å; R179-D182 PolarHBondContact O-N 2.71Å; D182-V184 PolarHBondContact O-N 3.07Å; D182-T197 WeakPolarHBondContact O-CA 3.35Å; D182-T197 WeakPolarHBondContact O-CB 3.27Å
183	V	95.1	Very high	93.2	Very high	48 Å²	48	62.7 Å²	62.7	29%	0.291	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	114.2	-178.9	-180	0	0	0	0	109.2	E186 K195	V183-E186 HydrophobicContact CG1-CG 3.97Å; V183-K195 HydrophobicContact CG1-CB 4.01Å; V183-K195 HydrophobicContact CG1-CD 4.5Å; V183-K195 HydrophobicContact CG1-CG 4.42Å; V183-K195 HydrophobicContact CG2-CB 4.29Å; V183-K195 HydrophobicContact CG2-CD 4.2Å
184	V	93	Very high	93.3	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-23	-179.7	-67	0	0	0	0	113.2	F121 I146 A173 D182 Y196 M198	F121-V184 HydrophobicContact CD1-CG1 4.45Å; F121-V184 HydrophobicContact CE1-CB 4.32Å; F121-V184 HydrophobicContact CE1-CG1 4.48Å; F121-V184 HydrophobicContact CG-CG1 4.49Å; F121-V184 HydrophobicContact CZ-CB 4.22Å; I146-V184 HydrophobicContact CD1-CG2 3.82Å; A173-V184 HydrophobicContact CB-CB 4.44Å; A173-V184 PolarHBondContact N-O 2.97Å; D182-V184 PolarHBondContact O-N 3.07Å; V184-Y196 WeakPolarHBondContact CG2-O 3.43Å; V184-Y196 PolarHBondContact N-O 2.94Å; V184-M198 HydrophobicContact CG1-CG 3.64Å; V184-M198 HydrophobicContact CG1-SD 4.34Å; V184-M198 HydrophobicContact CG2-CG 4.17Å
185	L	92.7	Very high	93.5	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	139.2	-179.5	-168.3	86.5	0	0	0	111.4	I146 L161 I169 F171 I172 Y196	I146-L185 HydrophobicContact CD1-CB 4.34Å; I146-L185 HydrophobicContact CG2-CD2 4.13Å; L161-L185 HydrophobicContact CD1-CD2 3.74Å; I169-L185 HydrophobicContact CD1-CD1 4.01Å; I169-L185 HydrophobicContact CG1-CD1 4.03Å; I169-L185 HydrophobicContact CG2-CD1 3.86Å; F171-L185 WeakPolarHBondContact O-CA 3.27Å; I172-L185 HydrophobicContact CB-CD1 4.07Å; I172-L185 HydrophobicContact CD1-CD1 4.27Å; I172-L185 HydrophobicContact CG1-CD1 4.06Å; L185-Y196 HydrophobicContact CD2-CD2 4.15Å; L185-Y196 PolarHBondContact N-O 2.77Å; L185-Y196 PolarHBondContact O-N 2.78Å
186	E	95	Very high	93.6	Very high	46 Å²	46	65.9 Å²	65.9	22%	0.215	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.8	163.8	-54.5	-172	155.9	0	0	109.4	T170 F171 V183 S194 K195	T170-E186 PolarHBondContact N-O 3.04Å; T170-E186 WeakPolarHBondContact OG1-CB 3.47Å; T170-E186 PolarHBondContact OG1-O 2.95Å; F171-E186 HydrophobicContact CB-CB 4Å; F171-E186 HydrophobicContact CB-CG 4.08Å; F171-E186 HydrophobicContact CD1-CG 4.1Å; F171-E186 PolarHBondContact N-O 2.94Å; F171-E186 PolarHBondContact O-N 2.74Å; V183-E186 HydrophobicContact CG1-CG 3.97Å; E186-S194 WeakPolarHBondContact CA-O 3.36Å; E186-K195 HydrophobicContact CG-CG 4.17Å; E186-K195 VanDerWaalsContact OE1-CE 3.22Å; E186-K195 WeakPolarHBondContact OE1-CE 3.18Å; E186-K195 IonicContact OE1-NZ 3.7Å
187	A	93.3	Very high	93.8	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.008	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.4	176.3	0	0	0	0	0	111.1	V140 T168 S194 Y196	V140-A187 HydrophobicContact CG2-CB 4.4Å; T168-A187 CarbonylContact O-C 3.38Å; T168-A187 VanDerWaalsContact O-CA 3.3Å; T168-A187 WeakPolarHBondContact O-CA 3.29Å; A187-S194 PolarHBondContact N-O 3.31Å; A187-S194 PolarHBondContact O-N 3.42Å; A187-Y196 HydrophobicContact CB-CE2 3.93Å
188	E	94.7	Very high	93.7	Very high	73 Å²	73	61.5 Å²	61.5	34%	0.341	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.5	179.1	-171.6	174.9	159.8	0	0	110.5	G167 T168 T170 E192 K193	G167-E188 CarbonylContact C-O 3.56Å; G167-E188 VanDerWaalsContact CA-O 3.28Å; G167-E188 WeakPolarHBondContact CA-O 3.33Å; T168-E188 PolarHBondContact N-O 3.32Å; T168-E188 PolarHBondContact O-N 2.74Å; T170-E188 HydrophobicContact CG2-CB 3.7Å; E188-E192 WeakPolarHBondContact CA-O 3.42Å; E188-K193 HydrophobicContact CB-CG 4.13Å; E188-K193 HydrophobicContact CG-CG 4.02Å; E188-K193 WeakPolarHBondContact OE2-CE 3.47Å
189	F	92.9	Very high	93.8	Very high	127 Å²	127	60.4 Å²	60.4	56%	0.557	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.6	174	-176.5	-100.6	0	0	0	109.5	C166 G191 E192	C166-F189 WeakPolarHBondContact O-CB 3.38Å; C166-F189 VanDerWaalsContact SG-CE2 3.59Å; F189-G191 PolarHBondContact O-N 2.86Å; F189-G191 VanDerWaalsContact O-N 3.09Å; F189-E192 PolarHBondContact N-O 3.22Å; F189-E192 PolarHBondContact O-N 2.96Å
190	A	91.5	Very high	93.7	Very high	101 Å²	101	55.7 Å²	55.7	84%	0.835	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	31.7	-177.8	0	0	0	0	0	114.8	E192	A190-E192 VanDerWaalsContact C-N 3.31Å; A190-E192 PolarHBondContact O-N 3.26Å
191	G	89.2	Confident	93.8	Very high	62 Å²	62	59.7 Å²	59.7	64%	0.639	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-2.3	-179.2	0	0	0	0	0	115.1	F189	F189-G191 PolarHBondContact O-N 2.86Å; F189-G191 VanDerWaalsContact O-N 3.09Å
192	E	92.7	Very high	94	Very high	141 Å²	141	56.6 Å²	56.6	66%	0.659	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.8	173.6	-168.6	175.1	-179.7	0	0	110.2	E188 F189 A190	E188-E192 WeakPolarHBondContact CA-O 3.42Å; F189-E192 PolarHBondContact N-O 3.22Å; F189-E192 PolarHBondContact O-N 2.96Å; A190-E192 VanDerWaalsContact C-N 3.31Å; A190-E192 PolarHBondContact O-N 3.26Å
193	K	93.7	Very high	94	Very high	127 Å²	127	54.4 Å²	54.4	55%	0.552	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.6	176.5	-69.1	-171	177.9	-171.4	0	110.5	E188	E188-K193 HydrophobicContact CB-CG 4.13Å; E188-K193 HydrophobicContact CG-CG 4.02Å; E188-K193 WeakPolarHBondContact OE2-CE 3.47Å
194	S	94.1	Very high	94	Very high	43 Å²	43	52.1 Å²	52.1	30%	0.301	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.1	178.1	-65.2	0	0	0	0	111	E186 A187 Y196	E186-S194 WeakPolarHBondContact CA-O 3.36Å; A187-S194 PolarHBondContact N-O 3.31Å; A187-S194 PolarHBondContact O-N 3.42Å; S194-Y196 WeakPolarHBondContact CB-OH 3.44Å; S194-Y196 WeakPolarHBondContact O-CE2 3.32Å
195	K	95.7	Very high	94	Very high	145 Å²	145	54.6 Å²	54.6	63%	0.63	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	136	177	-57.7	-171.5	178	-167.1	0	110.3	V183 E186	V183-K195 HydrophobicContact CG1-CB 4.01Å; V183-K195 HydrophobicContact CG1-CD 4.5Å; V183-K195 HydrophobicContact CG1-CG 4.42Å; V183-K195 HydrophobicContact CG2-CB 4.29Å; V183-K195 HydrophobicContact CG2-CD 4.2Å; E186-K195 HydrophobicContact CG-CG 4.17Å; E186-K195 VanDerWaalsContact OE1-CE 3.22Å; E186-K195 WeakPolarHBondContact OE1-CE 3.18Å; E186-K195 IonicContact OE1-NZ 3.7Å
196	Y	94.7	Very high	94.1	Very high	30 Å²	30	58.5 Å²	58.5	12%	0.118	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.6	178.8	-55.7	-84.3	0	0	0	110.1	L161 P162 S165 V184 L185 A187 S194	L161-Y196 HydrophobicContact CD1-CD1 3.79Å; L161-Y196 HydrophobicContact CD1-CD2 3.81Å; L161-Y196 HydrophobicContact CD1-CE1 3.97Å; L161-Y196 HydrophobicContact CD1-CE2 3.98Å; L161-Y196 HydrophobicContact CD1-CG 3.71Å; P162-Y196 HydrophobicContact CG-CD1 4.16Å; P162-Y196 HydrophobicContact CG-CE1 4.41Å; S165-Y196 WeakPolarHBondContact CB-OH 3.39Å; S165-Y196 WeakPolarHBondContact OG-CE1 3.47Å; V184-Y196 WeakPolarHBondContact CG2-O 3.43Å; V184-Y196 PolarHBondContact N-O 2.94Å; L185-Y196 HydrophobicContact CD2-CD2 4.15Å; L185-Y196 PolarHBondContact N-O 2.77Å; L185-Y196 PolarHBondContact O-N 2.78Å; A187-Y196 HydrophobicContact CB-CE2 3.93Å; S194-Y196 WeakPolarHBondContact CB-OH 3.44Å; S194-Y196 WeakPolarHBondContact O-CE2 3.32Å
197	T	95.3	Very high	94.1	Very high	43 Å²	43	60.1 Å²	60.1	26%	0.264	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-176.7	172.6	70.1	0	0	0	0	109.7	V180 D181 D182 V199	V180-T197 WeakPolarHBondContact O-CB 3.43Å; V180-T197 PolarHBondContact O-OG1 2.69Å; D181-T197 VanDerWaalsContact O-CG2 3.26Å; D181-T197 WeakPolarHBondContact O-CG2 3.26Å; D182-T197 WeakPolarHBondContact O-CA 3.35Å; D182-T197 WeakPolarHBondContact O-CB 3.27Å; T197-V199 PolarHBondContact O-N 3.37Å; T197-V199 PolarHBondContact OG1-N 2.97Å; T197-V199 PolarHBondContact OG1-O 3.27Å
198	M	93.9	Very high	94.2	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.015	33%	0.329	C	S	.	.	S	Bend	trans	-72.4	-16.5	174.9	-67.3	-169.1	-80.8	0	0	113.3	P78 W119 F121 V149 I159 Y178 R179 V184	P78-M198 HydrophobicContact CG-CB 4.3Å; P78-M198 HydrophobicContact CG-SD 4.4Å; W119-M198 HydrophobicContact CB-CE 4.31Å; F121-M198 HydrophobicContact CB-SD 4.28Å; F121-M198 HydrophobicContact CD2-SD 4.02Å; F121-M198 HydrophobicContact CG-SD 4.45Å; V149-M198 HydrophobicContact CG2-SD 3.69Å; I159-M198 HydrophobicContact CD1-CB 4.22Å; I159-M198 HydrophobicContact CD1-CG 4.38Å; I159-M198 HydrophobicContact CG1-CG 4.45Å; Y178-M198 WeakPolarHBondContact O-CE 3.47Å; R179-M198 VanDerWaalsContact C-CE 3.48Å; R179-M198 WeakPolarHBondContact O-CE 3.36Å; V184-M198 HydrophobicContact CG1-CG 3.64Å; V184-M198 HydrophobicContact CG1-SD 4.34Å; V184-M198 HydrophobicContact CG2-CG 4.17Å
199	V	94.9	Very high	94.3	Very high	20 Å²	20	59.4 Å²	59.4	12%	0.121	33%	0.329	C	S	.	.			trans	-102.3	132.1	-179.3	175.7	0	0	0	0	110.6	E75 L76 L113 V180 T197	E75-V199 HydrophobicContact CB-CG1 3.94Å; E75-V199 HydrophobicContact CG-CG1 4.35Å; L76-V199 WeakPolarHBondContact O-CA 3.37Å; L113-V199 HydrophobicContact CD1-CG1 4.24Å; L113-V199 HydrophobicContact CD1-CG2 3.62Å; V180-V199 HydrophobicContact CB-CG2 3.63Å; V180-V199 HydrophobicContact CG1-CG2 4Å; T197-V199 PolarHBondContact O-N 3.37Å; T197-V199 PolarHBondContact OG1-N 2.97Å; T197-V199 PolarHBondContact OG1-O 3.27Å
200	Q	94.4	Very high	94.4	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.056	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149	169.4	68.6	-174	-66.6	0	0	110.2	L76 P162	L76-Q200 HydrophobicContact CB-CG 3.68Å; L76-Q200 HydrophobicContact CD1-CG 4.16Å; L76-Q200 HydrophobicContact CG-CG 4.41Å; L76-Q200 PolarHBondContact N-O 3.12Å; L76-Q200 PolarHBondContact O-N 2.86Å; P162-Q200 HydrophobicContact CG-CB 4Å
201	V	94.7	Very high	94.5	Very high	84 Å²	84	53.2 Å²	53.2	51%	0.509	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.9	177.3	178.5	0	0	0	0	108.7	S73 V74	S73-V201 VanDerWaalsContact CB-CG1 3.4Å; V74-V201 WeakPolarHBondContact O-CA 3.01Å
202	W	96.4	Very high	94.8	Very high	16 Å²	16	55.9 Å²	55.9	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.1	-178.2	-166.9	-96	0	0	0	112.9	S73 V74 L76 P163 V204 Q206 R208 P209 T325	S73-W202 CarbonylContact C-O 3.53Å; S73-W202 VanDerWaalsContact CA-O 3.23Å; S73-W202 WeakPolarHBondContact CA-O 3.29Å; S73-W202 WeakPolarHBondContact CB-O 3.36Å; V74-W202 PolarHBondContact N-O 2.97Å; V74-W202 PolarHBondContact O-N 2.98Å; L76-W202 HydrophobicContact CD1-CB 3.63Å; L76-W202 HydrophobicContact CD1-CG 4.44Å; L76-W202 HydrophobicContact CG-CB 4.49Å; P163-W202 HydrophobicContact CB-CH2 4.22Å; P163-W202 HydrophobicContact CB-CZ3 4.17Å; P163-W202 HydrophobicContact CG-CE3 4.44Å; P163-W202 HydrophobicContact CG-CH2 4.05Å; P163-W202 HydrophobicContact CG-CZ3 3.79Å; W202-V204 PolarHBondContact O-N 3.4Å; W202-Q206 PolarHBondContact NE1-O 2.8Å; W202-R208 HydrophobicContact CD2-CG 4.23Å; W202-R208 HydrophobicContact CG-CG 4.19Å; W202-R208 HydrophobicContact CZ2-CG 4.34Å; W202-P209 HydrophobicContact CH2-CG 4.32Å; W202-T325 HydrophobicContact CG-CG2 4.49Å
203	P	96.1	Very high	95	Very high	19 Å²	19	54.9 Å²	54.9	12%	0.123	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.4	177.5	-20.5	32.7	0	0	0	112.6	P71 L72 R205 Q206	P71-P203 HydrophobicContact CG-CB 3.87Å; P71-P203 HydrophobicContact CG-CG 3.93Å; L72-P203 WeakPolarHBondContact O-CA 3.34Å; P203-R205 VanDerWaalsContact C-N 3.29Å; P203-R205 PolarHBondContact O-N 3.06Å; P203-Q206 HydrophobicContact CB-CB 4.24Å; P203-Q206 HydrophobicContact CB-CG 4.17Å; P203-Q206 PolarHBondContact O-N 3.12Å
204	V	95.3	Very high	95	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.2	-173.8	-58.6	0	0	0	0	114	L72 V74 W202 Q206 T325 R381	L72-V204 HydrophobicContact CB-CG2 4.21Å; L72-V204 HydrophobicContact CD2-CG2 3.76Å; L72-V204 HydrophobicContact CG-CG2 3.85Å; L72-V204 PolarHBondContact O-N 3.14Å; V74-V204 HydrophobicContact CB-CG1 4.14Å; V74-V204 HydrophobicContact CG1-CG1 3.33Å; V74-V204 HydrophobicContact CG2-CG1 3.88Å; W202-V204 PolarHBondContact O-N 3.4Å; V204-Q206 VanDerWaalsContact C-N 3.35Å; V204-T325 WeakPolarHBondContact CA-OG1 3.43Å; V204-T325 PolarHBondContact O-OG1 3.14Å; V204-R381 PolarHBondContact O-NH1 3.46Å
205	R	92.8	Very high	95.1	Very high	54 Å²	54	53.2 Å²	53.2	20%	0.204	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.4	179.9	-61.2	-174.2	-179.9	-81.5	12.1	112.9	E20 P203 E317 Y321	E20-R205 IonicContact OE1-CZ 3.39Å; E20-R205 IonicContact OE1-NE 2.63Å; E20-R205 PolarHBondContact OE1-NE 2.95Å; E20-R205 IonicContact OE1-NH2 2.69Å; E20-R205 IonicContact OE2-CZ 3.99Å; E20-R205 IonicContact OE2-NE 3.38Å; E20-R205 IonicContact OE2-NH2 2.79Å; E20-R205 PolarHBondContact OE2-NH2 2.86Å; P203-R205 VanDerWaalsContact C-N 3.29Å; P203-R205 PolarHBondContact O-N 3.06Å; R205-E317 IonicContact CZ-OE1 2.67Å; R205-E317 IonicContact NH1-OE1 3.9Å; R205-E317 PolarHBondContact NH1-OE1 3.31Å; R205-E317 IonicContact NH2-OE1 3.65Å; R205-E317 PolarHBondContact NH2-OE1 3.03Å; R205-E317 VanDerWaalsContact NH2-OE1 3.1Å; R205-Y321 VanDerWaalsContact NH1-CE2 3.27Å
206	Q	93.8	Very high	95	Very high	82 Å²	82	47.2 Å²	47.2	38%	0.383	27%	0.269	S	S	.	.	S	Bend	trans	-103	120.2	177.9	-66.2	-175.2	2.7	0	0	109.7	W202 P203 V204	W202-Q206 PolarHBondContact NE1-O 2.8Å; P203-Q206 HydrophobicContact CB-CB 4.24Å; P203-Q206 HydrophobicContact CB-CG 4.17Å; P203-Q206 PolarHBondContact O-N 3.12Å; V204-Q206 VanDerWaalsContact C-N 3.35Å
207	P	95	Very high	94.9	Very high	80 Å²	80	49.8 Å²	49.8	52%	0.519	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62.4	140.8	174.8	27.8	-34	0	0	0	110.1	R381	P207-R381 HydrophobicContact CB-CG 4.19Å
208	R	96	Very high	94.8	Very high	8 Å²	8	52.4 Å²	52.4	3%	0.03	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-68.1	133	176.4	-68.5	-175.9	58.3	85.8	7.2	110.3	W202 E328 R331 D332	W202-R208 HydrophobicContact CD2-CG 4.23Å; W202-R208 HydrophobicContact CG-CG 4.19Å; W202-R208 HydrophobicContact CZ2-CG 4.34Å; R208-E328 HydrophobicContact CB-CB 4.05Å; R208-E328 HydrophobicContact CG-CB 4.03Å; R208-E328 WeakPolarHBondContact CG-OE2 3.17Å; R208-E328 PolarHBondContact N-OE2 2.86Å; R208-R331 PolarHBondContact O-NH2 3.36Å; R208-D332 IonicContact CZ-OD2 3.61Å; R208-D332 VanDerWaalsContact CZ-OD2 3.22Å; R208-D332 IonicContact NE-OD2 3.24Å; R208-D332 PolarHBondContact NE-OD2 3.05Å; R208-D332 IonicContact NH2-OD2 2.7Å; R208-D332 PolarHBondContact NH2-OD2 3.14Å
209	P	96.2	Very high	94.9	Very high	50 Å²	50	52.5 Å²	52.5	33%	0.325	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-69.3	147.2	-175.6	31.3	-36.8	0	0	0	111.2	P163 W202 L388	P163-P209 HydrophobicContact CB-CG 3.46Å; P163-P209 VanDerWaalsContact CB-CG 3.46Å; P163-P209 HydrophobicContact CG-CG 3.95Å; W202-P209 HydrophobicContact CH2-CG 4.32Å; P209-L388 HydrophobicContact CB-CD1 3.74Å; P209-L388 HydrophobicContact CG-CD1 3.7Å; P209-L388 WeakPolarHBondContact O-CD1 3.42Å
210	V	95.2	Very high	94.9	Very high	41 Å²	41	51.7 Å²	51.7	25%	0.248	29%	0.286	C	S	.	.			trans	-129.2	158.6	-179.7	-64.1	0	0	0	0	109.8	R331 T385	V210-R331 VanDerWaalsContact CG1-CZ 3.43Å; V210-T385 HydrophobicContact CB-CG2 4.37Å; V210-T385 HydrophobicContact CG1-CG2 4.12Å; V210-T385 HydrophobicContact CG2-CG2 4.23Å
211	A	94.7	Very high	94.8	Very high	58 Å²	58	54.8 Å²	54.8	48%	0.479	30%	0.303	S	S	.	.	S	Bend	trans	-73.4	-48.7	178.2	0	0	0	0	0	111.1	K386 L388	A211-K386 HydrophobicContact CB-CB 4.37Å; A211-K386 HydrophobicContact CB-CG 4.38Å; A211-K386 WeakPolarHBondContact CB-O 3.44Å; A211-K386 PolarHBondContact N-O 2.82Å; A211-L388 HydrophobicContact CB-CD2 3.99Å
212	E	95.6	Very high	94.6	Very high	117 Å²	117	50.9 Å²	50.9	55%	0.547	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	143.4	-177.4	-171.9	177.9	178.3	0	0	110.5	L214 T385 K386	E212-L214 HydrophobicContact CG-CD2 4.39Å; E212-T385 CarbonylContact O-C 3.58Å; E212-T385 VanDerWaalsContact O-CA 3.3Å; E212-T385 WeakPolarHBondContact O-CA 3.2Å; E212-T385 WeakPolarHBondContact O-CB 3.44Å; E212-K386 HydrophobicContact CB-CB 4.28Å; E212-K386 PolarHBondContact O-N 3.02Å
213	K	95.4	Very high	94.2	Very high	121 Å²	121	52.4 Å²	52.4	53%	0.526	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.7	169.4	-72.7	-163.1	170.5	-165.1	0	109.4	E380 T385	K213-E380 PolarHBondContact NZ-O 3.05Å; K213-E380 IonicContact NZ-OE2 3.17Å; K213-T385 HydrophobicContact CG-CG2 4.12Å
214	L	95.5	Very high	94	Very high	48 Å²	48	54 Å²	54	25%	0.251	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.7	-178.9	-59.7	176.4	0	0	0	110.7	E212 R384 K386 E394	E212-L214 HydrophobicContact CG-CD2 4.39Å; L214-R384 HydrophobicContact CB-CG 4.2Å; L214-R384 PolarHBondContact N-O 2.93Å; L214-K386 HydrophobicContact CD1-CB 4.31Å; L214-E394 HydrophobicContact CD1-CG 4.09Å
215	A	94.5	Very high	93.7	Very high	87 Å²	87	62.1 Å²	62.1	72%	0.719	34%	0.337	S	S	*	.			trans	-68.4	135.9	170.8	0	0	0	0	0	110.5	N217	A215-N217 PolarHBondContact O-N 3.03Å
216	A	93.6	Very high	93.7	Very high	18 Å²	18	60.2 Å²	60.2	15%	0.149	33%	0.33	C	S	.	.			trans	-81.4	114.8	176.2	0	0	0	0	0	110.2	V234 Q235	A216-V234 HydrophobicContact CB-CB 3.92Å; A216-V234 HydrophobicContact CB-CG2 3.46Å; A216-V234 VanDerWaalsContact CB-CG2 3.46Å; A216-Q235 WeakPolarHBondContact CB-O 3.42Å
217	N	92.8	Very high	93.6	Very high	84 Å²	84	56.3 Å²	56.3	45%	0.449	31%	0.312	S	S	.	.			trans	-123.9	8.9	-176.4	68	5	0	0	0	113.5	A215 R384	A215-N217 PolarHBondContact O-N 3.03Å; N217-R384 PolarHBondContact OD1-NH1 3.44Å
218	Y	94.1	Very high	93.5	Very high	99 Å²	99	54.1 Å²	54.1	39%	0.388	30%	0.296	S	S	.	.	S	Bend	trans	-121.1	130.9	-179.9	-165.5	-94.5	0	0	0	109.7	V234 Q235 N261 F457	Y218-V234 CarbonylContact O-C 3.59Å; Y218-V234 WeakPolarHBondContact O-CA 3.26Å; Y218-Q235 HydrophobicContact CD1-CG 4.13Å; Y218-Q235 PolarHBondContact O-N 3.47Å; Y218-N261 WeakPolarHBondContact CE1-ND2 3.44Å; Y218-F457 HydrophobicContact CD2-CD2 4.04Å; Y218-F457 AromaticContact CD2-CE2 3.57Å; Y218-F457 HydrophobicContact CD2-CE2 3.57Å; Y218-F457 HydrophobicContact CD2-CZ 4.48Å; Y218-F457 HydrophobicContact CE2-CD2 4.44Å; Y218-F457 AromaticContact CE2-CE2 3.54Å; Y218-F457 HydrophobicContact CE2-CE2 3.54Å; Y218-F457 HydrophobicContact CE2-CZ 4.2Å
219	P	95.1	Very high	93.2	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.032	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.3	-175.1	28.9	-34	0	0	0	112.1	L221 N261 L454 F457	P219-L221 HydrophobicContact CB-CD2 4.45Å; P219-L221 HydrophobicContact CG-CD2 4.41Å; P219-L221 PolarHBondContact O-N 3.43Å; P219-N261 PolarHBondContact O-ND2 3.14Å; P219-L454 HydrophobicContact CB-CD1 4.35Å; P219-L454 HydrophobicContact CB-CD2 3.97Å; P219-L454 HydrophobicContact CG-CD2 4.38Å; P219-F457 HydrophobicContact CG-CD1 3.89Å; P219-F457 HydrophobicContact CG-CE1 3.49Å; P219-F457 VanDerWaalsContact CG-CE1 3.49Å; P219-F457 HydrophobicContact CG-CE2 4.27Å; P219-F457 HydrophobicContact CG-CG 4.45Å; P219-F457 HydrophobicContact CG-CZ 3.71Å
220	L	95.4	Very high	92.9	Very high	2 Å²	2	53 Å²	53	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	106.3	165	-180	73.2	0	0	0	107.4	C233 Q235 L256 S262	L220-C233 HydrophobicContact CB-CB 4.33Å; L220-C233 HydrophobicContact CD2-CB 4.42Å; L220-C233 PolarHBondContact N-O 3.15Å; L220-Q235 HydrophobicContact CB-CG 4.3Å; L220-Q235 HydrophobicContact CD1-CG 4.22Å; L220-L256 HydrophobicContact CD2-CD1 4.27Å; L220-S262 WeakPolarHBondContact CD1-OG 3.36Å
221	L	93.3	Very high	92.8	Very high	78 Å²	78	51.2 Å²	51.2	41%	0.408	28%	0.28	S	S	.	.			trans	-76.6	126.9	177.8	-59.9	178.2	0	0	0	108.5	P219 S260 N261	P219-L221 HydrophobicContact CB-CD2 4.45Å; P219-L221 HydrophobicContact CG-CD2 4.41Å; P219-L221 PolarHBondContact O-N 3.43Å; L221-S260 VanDerWaalsContact O-CA 3.24Å; L221-S260 WeakPolarHBondContact O-CA 3.22Å; L221-N261 PolarHBondContact N-OD1 3.32Å; L221-N261 VanDerWaalsContact N-OD1 3.14Å
222	T	90.9	Very high	92.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	26%	0.258	C	S	.	.			trans	-99.6	-16.7	-178.8	66.1	0	0	0	0	112.7	Q224 L227 D228 L256 W426	T222-Q224 PolarHBondContact O-N 3.48Å; T222-Q224 PolarHBondContact OG1-N 2.82Å; T222-L227 HydrophobicContact CG2-CB 4.35Å; T222-L227 HydrophobicContact CG2-CD1 4.46Å; T222-D228 WeakPolarHBondContact CB-OD1 3.34Å; T222-D228 WeakPolarHBondContact CG2-OD1 3.08Å; T222-D228 PolarHBondContact N-OD1 2.96Å; T222-D228 PolarHBondContact N-OD2 3.18Å; T222-D228 VanDerWaalsContact OG1-CG 3.27Å; T222-D228 PolarHBondContact OG1-OD1 3.22Å; T222-D228 PolarHBondContact OG1-OD2 3.12Å; T222-L256 HydrophobicContact CG2-CD1 3.57Å; T222-W426 HydrophobicContact CG2-CH2 3.7Å; T222-W426 HydrophobicContact CG2-CZ2 4.27Å
223	G	87.6	Confident	92.8	Very high	49 Å²	49	43.1 Å²	43.1	51%	0.505	23%	0.232	S	C	.	.	S	Bend	trans	81.3	-2.6	-171	0	0	0	0	0	113.2	D228	G223-D228 PolarHBondContact N-OD2 2.94Å
224	Q	90.8	Very high	92.8	Very high	52 Å²	52	37.3 Å²	37.3	24%	0.243	21%	0.207	C	C	.	.			trans	-102.6	117.3	179.5	-62.5	-62.2	-33.6	0	0	110.3	T222 I226 L227 D228 S255	T222-Q224 PolarHBondContact O-N 3.48Å; T222-Q224 PolarHBondContact OG1-N 2.82Å; Q224-I226 VanDerWaalsContact C-N 3.3Å; Q224-I226 PolarHBondContact O-N 2.83Å; Q224-I226 VanDerWaalsContact O-N 3.16Å; Q224-L227 HydrophobicContact CB-CB 4.09Å; Q224-L227 HydrophobicContact CB-CD1 3.86Å; Q224-L227 HydrophobicContact CB-CG 3.86Å; Q224-L227 HydrophobicContact CG-CD1 4.14Å; Q224-L227 PolarHBondContact O-N 2.69Å; Q224-D228 PolarHBondContact O-N 3.06Å; Q224-S255 PolarHBondContact NE2-OG 3.04Å
225	R	90.5	Very high	92.8	Very high	171 Å²	171	35.8 Å²	35.8	65%	0.645	20%	0.199	S	C	*	.	H	α-helix	trans	-51.8	-43	-177.2	-71	176.7	-72.8	-177.8	-5.7	114.2	A229	R225-A229 WeakPolarHBondContact O-CB 3.36Å; R225-A229 PolarHBondContact O-N 2.87Å
226	I	90.9	Very high	92.8	Very high	13 Å²	13	32 Å²	32	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-70.1	-37.1	-178.4	-172.1	162.4	0	0	0	112.2	Q224 L230 F231 P439 V441 W443 Y478	Q224-I226 VanDerWaalsContact C-N 3.3Å; Q224-I226 PolarHBondContact O-N 2.83Å; Q224-I226 VanDerWaalsContact O-N 3.16Å; I226-L230 HydrophobicContact CG1-CD1 4.25Å; I226-L230 WeakPolarHBondContact O-CB 3.43Å; I226-L230 PolarHBondContact O-N 3.02Å; I226-L230 VanDerWaalsContact O-N 3.09Å; I226-F231 HydrophobicContact CG1-CE2 4.37Å; I226-P439 HydrophobicContact CG2-CG 3.51Å; I226-V441 HydrophobicContact CD1-CB 4.05Å; I226-V441 HydrophobicContact CD1-CG1 4.21Å; I226-V441 HydrophobicContact CG2-CB 4.44Å; I226-V441 HydrophobicContact CG2-CG2 4.33Å; I226-W443 HydrophobicContact CD1-CB 4.49Å; I226-W443 HydrophobicContact CD1-CE3 4.29Å; I226-Y478 VanDerWaalsContact CD1-OH 3.27Å; I226-Y478 WeakPolarHBondContact CD1-OH 3.25Å; I226-Y478 WeakPolarHBondContact CG1-OH 3.46Å
227	L	92.6	Very high	92.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-74.5	-47.8	-178.7	-58.1	-175.6	0	0	0	109.8	T222 Q224 A229 F231 P232 I252 W426 V441	T222-L227 HydrophobicContact CG2-CB 4.35Å; T222-L227 HydrophobicContact CG2-CD1 4.46Å; Q224-L227 HydrophobicContact CB-CB 4.09Å; Q224-L227 HydrophobicContact CB-CD1 3.86Å; Q224-L227 HydrophobicContact CB-CG 3.86Å; Q224-L227 HydrophobicContact CG-CD1 4.14Å; Q224-L227 PolarHBondContact O-N 2.69Å; L227-A229 VanDerWaalsContact C-N 3.33Å; L227-A229 PolarHBondContact O-N 3.19Å; L227-F231 CarbonylContact O-C 3.5Å; L227-F231 PolarHBondContact O-N 2.69Å; L227-P232 WeakPolarHBondContact O-CA 3.41Å; L227-P232 VanDerWaalsContact O-N 3.14Å; L227-I252 HydrophobicContact CD1-CG2 3.93Å; L227-W426 HydrophobicContact CB-CZ2 4.11Å; L227-W426 HydrophobicContact CD1-CD2 4.18Å; L227-W426 HydrophobicContact CD1-CE3 3.84Å; L227-W426 HydrophobicContact CD1-CH2 4.1Å; L227-W426 HydrophobicContact CD1-CZ2 4.34Å; L227-W426 HydrophobicContact CD1-CZ3 3.82Å; L227-W426 HydrophobicContact CD2-CB 4.32Å; L227-W426 HydrophobicContact CD2-CD2 3.58Å; L227-W426 HydrophobicContact CD2-CE3 4.06Å; L227-W426 HydrophobicContact CD2-CG 3.67Å; L227-W426 HydrophobicContact CD2-CZ2 4.42Å; L227-W426 HydrophobicContact CG-CD2 4.37Å; L227-V441 HydrophobicContact CD2-CG1 4.46Å; L227-V441 HydrophobicContact CD2-CG2 3.83Å
228	D	92.3	Very high	93.1	Very high	34 Å²	34	27.7 Å²	27.7	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-70.9	-29.5	-178.1	-64.7	-14.4	0	0	0	112.2	T222 G223 Q224	T222-D228 WeakPolarHBondContact CB-OD1 3.34Å; T222-D228 WeakPolarHBondContact CG2-OD1 3.08Å; T222-D228 PolarHBondContact N-OD1 2.96Å; T222-D228 PolarHBondContact N-OD2 3.18Å; T222-D228 VanDerWaalsContact OG1-CG 3.27Å; T222-D228 PolarHBondContact OG1-OD1 3.22Å; T222-D228 PolarHBondContact OG1-OD2 3.12Å; G223-D228 PolarHBondContact N-OD2 2.94Å; Q224-D228 PolarHBondContact O-N 3.06Å
229	A	89.5	Confident	93.2	Very high	24 Å²	24	23 Å²	23	20%	0.198	12%	0.124	C	C	.	.	H	α-helix	trans	-89.8	-54	-177.9	0	0	0	0	0	114.3	R225 L227 F465 R469	R225-A229 WeakPolarHBondContact O-CB 3.36Å; R225-A229 PolarHBondContact O-N 2.87Å; L227-A229 VanDerWaalsContact C-N 3.33Å; L227-A229 PolarHBondContact O-N 3.19Å; A229-F465 HydrophobicContact CB-CE2 4.22Å; A229-F465 HydrophobicContact CB-CZ 4.13Å; A229-R469 VanDerWaalsContact O-CD 3.3Å; A229-R469 WeakPolarHBondContact O-CD 3.25Å
230	L	90.4	Very high	93.2	Very high	11 Å²	11	22.8 Å²	22.8	6%	0.058	12%	0.123	C	C	.	.	H	α-helix	trans	-90.7	-37.6	-171.6	-65.8	-176.2	0	0	0	112.8	I226 P232 W443 V472 Y478	I226-L230 HydrophobicContact CG1-CD1 4.25Å; I226-L230 WeakPolarHBondContact O-CB 3.43Å; I226-L230 PolarHBondContact O-N 3.02Å; I226-L230 VanDerWaalsContact O-N 3.09Å; L230-P232 VanDerWaalsContact C-CD 3.41Å; L230-P232 WeakPolarHBondContact O-CD 3.34Å; L230-W443 HydrophobicContact CD1-CB 4.4Å; L230-V472 HydrophobicContact CD2-CB 4.13Å; L230-V472 HydrophobicContact CD2-CG1 3.78Å; L230-Y478 HydrophobicContact CD1-CE1 4.21Å; L230-Y478 WeakPolarHBondContact CD1-OH 3.44Å; L230-Y478 HydrophobicContact CG-CE1 4.42Å
231	F	93.7	Very high	93.1	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.018	12%	0.123	C	C	.	.	S	Bend	trans	-128.4	57.2	-172.4	-49.1	-61.3	0	0	0	111.3	I226 L227 W426 V441 W443 S446	I226-F231 HydrophobicContact CG1-CE2 4.37Å; L227-F231 CarbonylContact O-C 3.5Å; L227-F231 PolarHBondContact O-N 2.69Å; F231-W426 PolarHBondContact O-NE1 2.67Å; F231-V441 HydrophobicContact CD2-CG1 4.27Å; F231-V441 HydrophobicContact CE2-CG1 4.27Å; F231-W443 HydrophobicContact CE2-CB 4.28Å; F231-W443 HydrophobicContact CZ-CB 4.24Å; F231-W443 WeakPolarHBondContact CZ-O 3.27Å; F231-S446 VanDerWaalsContact CE1-C 3.4Å; F231-S446 WeakPolarHBondContact CE1-O 3.41Å
232	P	94.4	Very high	93.1	Very high	2 Å²	2	19 Å²	19	1%	0.013	10%	0.104	C	C	.	.			trans	-63.2	143.1	-170.3	27.5	-36.2	0	0	0	111.2	L227 L230 S448 T451 L454	L227-P232 WeakPolarHBondContact O-CA 3.41Å; L227-P232 VanDerWaalsContact O-N 3.14Å; L230-P232 VanDerWaalsContact C-CD 3.41Å; L230-P232 WeakPolarHBondContact O-CD 3.34Å; P232-S448 WeakPolarHBondContact O-CB 3.4Å; P232-S448 PolarHBondContact O-OG 3.46Å; P232-T451 HydrophobicContact CG-CG2 4.49Å; P232-L454 HydrophobicContact CB-CD1 3.68Å; P232-L454 HydrophobicContact CG-CD1 3.87Å
233	C	95.4	Very high	93	Very high	2 Å²	2	19 Å²	19	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	160.5	166.7	-169.9	0	0	0	0	109.7	L220 T239 V424 W426	L220-C233 HydrophobicContact CB-CB 4.33Å; L220-C233 HydrophobicContact CD2-CB 4.42Å; L220-C233 PolarHBondContact N-O 3.15Å; C233-T239 PolarHBondContact SG-OG1 3.43Å; C233-V424 HydrophobicContact CB-CG2 4.43Å; C233-W426 HydrophobicContact CB-CH2 4.32Å; C233-W426 HydrophobicContact CB-CZ2 3.93Å
234	V	96.4	Very high	92.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.6	179.7	-61.6	0	0	0	0	110.2	A216 Y218 G236 G237 S398 Y450 L454	A216-V234 HydrophobicContact CB-CB 3.92Å; A216-V234 HydrophobicContact CB-CG2 3.46Å; A216-V234 VanDerWaalsContact CB-CG2 3.46Å; Y218-V234 CarbonylContact O-C 3.59Å; Y218-V234 WeakPolarHBondContact O-CA 3.26Å; V234-G236 PolarHBondContact O-N 3.24Å; V234-G237 WeakPolarHBondContact O-CA 3.36Å; V234-G237 PolarHBondContact O-N 2.93Å; V234-S398 PolarHBondContact O-OG 2.78Å; V234-Y450 HydrophobicContact CB-CG 4.49Å; V234-Y450 HydrophobicContact CG1-CD1 4.26Å; V234-Y450 HydrophobicContact CG1-CD2 4.23Å; V234-Y450 HydrophobicContact CG1-CG 3.84Å; V234-Y450 HydrophobicContact CG2-CD1 3.8Å; V234-Y450 HydrophobicContact CG2-CD2 3.78Å; V234-Y450 HydrophobicContact CG2-CE1 3.77Å; V234-Y450 HydrophobicContact CG2-CE2 3.73Å; V234-Y450 HydrophobicContact CG2-CG 3.81Å; V234-L454 HydrophobicContact CG1-CD1 3.78Å; V234-L454 HydrophobicContact CG1-CD2 3.8Å; V234-L454 HydrophobicContact CG1-CG 3.7Å
235	Q	95.1	Very high	92.4	Very high	16 Å²	16	19.2 Å²	19.2	8%	0.075	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	115.3	169.4	-73	-171.6	-17.7	0	0	109.4	A216 Y218 L220 N261 S398	A216-Q235 WeakPolarHBondContact CB-O 3.42Å; Y218-Q235 HydrophobicContact CD1-CG 4.13Å; Y218-Q235 PolarHBondContact O-N 3.47Å; L220-Q235 HydrophobicContact CB-CG 4.3Å; L220-Q235 HydrophobicContact CD1-CG 4.22Å; Q235-N261 VanDerWaalsContact NE2-CG 3.3Å; Q235-N261 PolarHBondContact NE2-ND2 3.42Å; Q235-N261 PolarHBondContact NE2-O 3.14Å; Q235-N261 VanDerWaalsContact NE2-O 3.11Å; Q235-N261 PolarHBondContact NE2-OD1 2.88Å; Q235-S398 WeakPolarHBondContact CA-OG 3.33Å
236	G	94.4	Very high	92	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	2.3	-166.6	0	0	0	0	0	114.2	V234 G383 I397 S398	V234-G236 PolarHBondContact O-N 3.24Å; G236-G383 VanDerWaalsContact O-CA 3.24Å; G236-G383 WeakPolarHBondContact O-CA 3.36Å; G236-G383 PolarHBondContact O-N 3.41Å; G236-I397 CarbonylContact C-O 3.57Å; G236-I397 VanDerWaalsContact CA-O 3.24Å; G236-I397 WeakPolarHBondContact CA-O 3.46Å; G236-S398 PolarHBondContact N-OG 3.01Å
237	G	95.3	Very high	91.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.096	C	C	.	.			trans	-83.4	162.7	-176.4	0	0	0	0	0	114.2	V234 S398 I399 Y450	V234-G237 WeakPolarHBondContact O-CA 3.36Å; V234-G237 PolarHBondContact O-N 2.93Å; G237-S398 WeakPolarHBondContact O-CA 3.39Å; G237-I399 PolarHBondContact O-N 3.29Å; G237-Y450 WeakPolarHBondContact CA-OH 3.47Å
238	T	97.1	Very high	91.4	Very high	12 Å²	12	15 Å²	15	7%	0.074	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.2	172.1	56.7	0	0	0	0	110.8	Y379 A382 Q423 V424 Y450	T238-Y379 HydrophobicContact CG2-CD1 4.13Å; T238-Y379 WeakPolarHBondContact CG2-O 3.44Å; T238-A382 HydrophobicContact CG2-CB 3.67Å; T238-Q423 PolarHBondContact O-N 3.46Å; T238-Q423 PolarHBondContact OG1-N 2.94Å; T238-V424 PolarHBondContact O-N 3.5Å; T238-V424 VanDerWaalsContact O-N 3.09Å; T238-Y450 PolarHBondContact N-OH 3.18Å
239	T	96.2	Very high	91.2	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.5	-179.1	-55.3	0	0	0	0	111.2	C233 I399 V400 G401 V424 W426	C233-T239 PolarHBondContact SG-OG1 3.43Å; T239-I399 PolarHBondContact N-O 2.79Å; T239-V400 WeakPolarHBondContact O-CA 3.23Å; T239-G401 PolarHBondContact O-N 2.94Å; T239-V424 WeakPolarHBondContact CA-O 3.44Å; T239-V424 HydrophobicContact CG2-CB 4.06Å; T239-V424 HydrophobicContact CG2-CG1 3.96Å; T239-W426 HydrophobicContact CG2-CD2 3.55Å; T239-W426 HydrophobicContact CG2-CE3 3.57Å; T239-W426 HydrophobicContact CG2-CG 4.17Å; T239-W426 HydrophobicContact CG2-CH2 3.9Å; T239-W426 HydrophobicContact CG2-CZ2 3.94Å; T239-W426 HydrophobicContact CG2-CZ3 3.73Å
240	A	95.4	Very high	90.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.1	167.4	0	0	0	0	0	111.3	P242 G401 V403 T418 V422 V424 W426	A240-P242 WeakPolarHBondContact O-CD 3.47Å; A240-G401 CarbonylContact C-O 3.58Å; A240-G401 WeakPolarHBondContact CA-O 3.14Å; A240-V403 HydrophobicContact CB-CG2 4.39Å; A240-T418 HydrophobicContact CB-CG2 3.57Å; A240-V422 HydrophobicContact CB-CB 4.42Å; A240-V422 HydrophobicContact CB-CG1 4.11Å; A240-V422 HydrophobicContact CB-CG2 3.82Å; A240-V424 PolarHBondContact N-O 2.98Å; A240-W426 PolarHBondContact O-N 2.99Å
241	I	94.2	Very high	90.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	83.6	172.8	-48.2	-177.5	0	0	0	108.2	K249 I252 V400 G401 V403 W426 L428	I241-K249 HydrophobicContact CG2-CG 4.19Å; I241-I252 HydrophobicContact CD1-CB 4.2Å; I241-I252 HydrophobicContact CD1-CG2 3.61Å; I241-I252 HydrophobicContact CG2-CD1 4.37Å; I241-V400 HydrophobicContact CD1-CG1 3.46Å; I241-V400 VanDerWaalsContact CD1-CG1 3.46Å; I241-V400 HydrophobicContact CG1-CG1 3.87Å; I241-G401 PolarHBondContact N-O 3.26Å; I241-V403 PolarHBondContact O-N 3.28Å; I241-W426 HydrophobicContact CD1-CE3 3.74Å; I241-W426 HydrophobicContact CD1-CZ3 4.06Å; I241-W426 HydrophobicContact CG1-CB 4.49Å; I241-W426 HydrophobicContact CG1-CE3 3.74Å; I241-W426 HydrophobicContact CG1-CZ3 4.4Å; I241-L428 HydrophobicContact CG2-CD1 3.7Å; I241-L428 HydrophobicContact CG2-CD2 4.41Å; I241-L428 HydrophobicContact CG2-CG 3.86Å
242	P	92.3	Very high	90.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.7	172.3	34.2	-35.6	0	0	0	111.2	A240 V403 F410 F425 W426 L428	A240-P242 WeakPolarHBondContact O-CD 3.47Å; P242-V403 VanDerWaalsContact CA-O 3.26Å; P242-V403 WeakPolarHBondContact CA-O 3.33Å; P242-V403 HydrophobicContact CB-CB 4.07Å; P242-F410 HydrophobicContact CB-CD1 4.33Å; P242-F410 HydrophobicContact CB-CE1 3.93Å; P242-F410 HydrophobicContact CG-CE1 4.01Å; P242-F425 HydrophobicContact CB-CE2 4.35Å; P242-F425 HydrophobicContact CG-CD2 3.96Å; P242-F425 HydrophobicContact CG-CE1 4.28Å; P242-F425 HydrophobicContact CG-CE2 3.23Å; P242-F425 HydrophobicContact CG-CZ 3.38Å; P242-W426 WeakPolarHBondContact CD-O 3.33Å; P242-L428 WeakPolarHBondContact O-CB 3.28Å; P242-L428 PolarHBondContact O-N 3.46Å
243	G	88.3	Confident	90.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	13%	0.126	C	C	.	.			trans	-179.9	163.9	171.4	0	0	0	0	0	111.8	K249 V403	G243-K249 PolarHBondContact O-NZ 3.37Å; G243-V403 PolarHBondContact N-O 3.47Å; G243-V403 VanDerWaalsContact N-O 3.13Å
244	A	84.7	Confident	89.6	Confident	12 Å²	12	19.8 Å²	19.8	10%	0.099	13%	0.13	C	C	.	.			trans	-64.7	167.5	170.3	0	0	0	0	0	111.4	C247 K249 K430	A244-C247 PolarHBondContact O-N 3.03Å; A244-K249 PolarHBondContact O-NZ 3.41Å; A244-K430 HydrophobicContact CB-CD 4.37Å
245	F	82.2	Confident	89.1	Confident	93 Å²	93	20.1 Å²	20.1	41%	0.408	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	138.8	171.7	-61.8	-76.2	0	0	0	110.4	C247 R346	F245-C247 VanDerWaalsContact C-N 3.32Å; F245-C247 PolarHBondContact O-N 2.82Å; F245-R346 VanDerWaalsContact CZ-NH2 3.32Å
246	G	81.8	Confident	88.8	Confident	75 Å²	75	19.4 Å²	19.4	77%	0.773	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	4.9	-179.8	0	0	0	0	0	115.9	G248	G246-G248 PolarHBondContact O-N 3.26Å
247	C	85.4	Confident	88.4	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.02	13%	0.127	C	C	.	.	S	Bend	trans	-76.2	-2.7	175.4	-69.5	0	0	0	0	114.5	A244 F245 L428	A244-C247 PolarHBondContact O-N 3.03Å; F245-C247 VanDerWaalsContact C-N 3.32Å; F245-C247 PolarHBondContact O-N 2.82Å; C247-L428 HydrophobicContact CB-CB 3.94Å; C247-L428 HydrophobicContact CB-CD1 4.03Å
248	G	85.3	Confident	87.9	Confident	17 Å²	17	21.6 Å²	21.6	18%	0.175	14%	0.137	C	C	.	.	S	Bend	trans	96.5	21.2	-179.8	0	0	0	0	0	115.7	G246 V251 I252	G246-G248 PolarHBondContact O-N 3.26Å; G248-V251 PolarHBondContact O-N 2.77Å; G248-I252 WeakPolarHBondContact O-CG1 3.41Å; G248-I252 PolarHBondContact O-N 3.41Å
249	K	87.1	Confident	87.4	Confident	12 Å²	12	28.2 Å²	28.2	5%	0.052	16%	0.162	C	C	.	.	H	α-helix	trans	-55	-55	176.1	-64.9	-170.1	-63.9	-101	0	112.1	I241 G243 A244 V251 I252 S253 A402 S404 L428	I241-K249 HydrophobicContact CG2-CG 4.19Å; G243-K249 PolarHBondContact O-NZ 3.37Å; A244-K249 PolarHBondContact O-NZ 3.41Å; K249-V251 VanDerWaalsContact C-N 3.27Å; K249-V251 PolarHBondContact O-N 2.7Å; K249-I252 PolarHBondContact O-N 2.93Å; K249-I252 VanDerWaalsContact O-N 3.09Å; K249-S253 PolarHBondContact O-N 2.87Å; K249-S253 PolarHBondContact O-OG 2.89Å; K249-A402 HydrophobicContact CD-CB 4.32Å; K249-S404 WeakPolarHBondContact CE-OG 3.48Å; K249-S404 PolarHBondContact NZ-OG 2.67Å; K249-L428 HydrophobicContact CB-CD1 4.42Å; K249-L428 HydrophobicContact CG-CD1 3.57Å
250	T	83.3	Confident	87.1	Confident	36 Å²	36	28.5 Å²	28.5	22%	0.221	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-36.3	178.4	-43.3	0	0	0	0	111.8	I252 S253 Q254 V280	T250-I252 VanDerWaalsContact C-N 3.35Å; T250-I252 PolarHBondContact O-N 2.84Å; T250-S253 PolarHBondContact O-N 2.86Å; T250-Q254 HydrophobicContact CG2-CG 4.48Å; T250-Q254 WeakPolarHBondContact O-CB 3.46Å; T250-Q254 VanDerWaalsContact O-CG 3.24Å; T250-Q254 WeakPolarHBondContact O-CG 3.32Å; T250-Q254 PolarHBondContact O-N 3.08Å; T250-V280 HydrophobicContact CG2-CG2 4.46Å
251	V	87.4	Confident	86.9	Confident	93 Å²	93	30.5 Å²	30.5	56%	0.564	18%	0.175	S	C	*	.	H	α-helix	trans	-64	-39.8	176.3	-179.4	0	0	0	0	111.3	G248 K249 Q254 S255	G248-V251 PolarHBondContact O-N 2.77Å; K249-V251 VanDerWaalsContact C-N 3.27Å; K249-V251 PolarHBondContact O-N 2.7Å; V251-Q254 PolarHBondContact O-N 2.87Å; V251-S255 WeakPolarHBondContact O-CB 3.46Å; V251-S255 PolarHBondContact O-N 3.1Å
252	I	90.3	Very high	86.8	Confident	10 Å²	10	30.6 Å²	30.6	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-44.8	175.1	-65.6	171	0	0	0	110.3	L227 I241 G248 K249 T250 Q254 S255 L256 W426 L428 V441	L227-I252 HydrophobicContact CD1-CG2 3.93Å; I241-I252 HydrophobicContact CD1-CB 4.2Å; I241-I252 HydrophobicContact CD1-CG2 3.61Å; I241-I252 HydrophobicContact CG2-CD1 4.37Å; G248-I252 WeakPolarHBondContact O-CG1 3.41Å; G248-I252 PolarHBondContact O-N 3.41Å; K249-I252 PolarHBondContact O-N 2.93Å; K249-I252 VanDerWaalsContact O-N 3.09Å; T250-I252 VanDerWaalsContact C-N 3.35Å; T250-I252 PolarHBondContact O-N 2.84Å; I252-Q254 VanDerWaalsContact C-N 3.35Å; I252-Q254 PolarHBondContact O-N 2.65Å; I252-S255 WeakPolarHBondContact O-CB 3.42Å; I252-S255 PolarHBondContact O-N 3.06Å; I252-S255 VanDerWaalsContact O-N 3.16Å; I252-L256 WeakPolarHBondContact O-CB 3.48Å; I252-L256 PolarHBondContact O-N 2.96Å; I252-W426 HydrophobicContact CG2-CE3 4.37Å; I252-W426 HydrophobicContact CG2-CZ3 4.29Å; I252-L428 HydrophobicContact CD1-CD1 4.2Å; I252-L428 HydrophobicContact CD1-CD2 3.67Å; I252-L428 HydrophobicContact CD1-CG 4.5Å; I252-V441 HydrophobicContact CD1-CG2 4.44Å
253	S	86.2	Confident	86.8	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-44.7	175.7	-54.6	0	0	0	0	112	K249 T250 S255 L256 S257	K249-S253 PolarHBondContact O-N 2.87Å; K249-S253 PolarHBondContact O-OG 2.89Å; T250-S253 PolarHBondContact O-N 2.86Å; S253-S255 PolarHBondContact O-N 3.06Å; S253-L256 WeakPolarHBondContact O-CB 3.2Å; S253-L256 PolarHBondContact O-N 2.73Å; S253-S257 PolarHBondContact O-N 3.41Å
254	Q	83.1	Confident	87.1	Confident	23 Å²	23	34.4 Å²	34.4	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-37.1	174.4	-74	-179.8	-3	0	0	112.9	T250 V251 I252 L256 S257 K258 F284	T250-Q254 HydrophobicContact CG2-CG 4.48Å; T250-Q254 WeakPolarHBondContact O-CB 3.46Å; T250-Q254 VanDerWaalsContact O-CG 3.24Å; T250-Q254 WeakPolarHBondContact O-CG 3.32Å; T250-Q254 PolarHBondContact O-N 3.08Å; V251-Q254 PolarHBondContact O-N 2.87Å; I252-Q254 VanDerWaalsContact C-N 3.35Å; I252-Q254 PolarHBondContact O-N 2.65Å; Q254-L256 VanDerWaalsContact C-N 3.34Å; Q254-S257 PolarHBondContact O-OG 2.96Å; Q254-K258 VanDerWaalsContact O-CE 3.28Å; Q254-K258 WeakPolarHBondContact O-CE 3.42Å; Q254-K258 WeakPolarHBondContact O-CG 3.44Å; Q254-K258 PolarHBondContact O-N 2.67Å; Q254-F284 HydrophobicContact CG-CE1 3.98Å
255	S	86.4	Confident	87.6	Confident	8 Å²	8	33.9 Å²	33.9	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-41.6	174.3	-176.7	0	0	0	0	110.7	Q224 V251 I252 S253 K258 Y259	Q224-S255 PolarHBondContact NE2-OG 3.04Å; V251-S255 WeakPolarHBondContact O-CB 3.46Å; V251-S255 PolarHBondContact O-N 3.1Å; I252-S255 WeakPolarHBondContact O-CB 3.42Å; I252-S255 PolarHBondContact O-N 3.06Å; I252-S255 VanDerWaalsContact O-N 3.16Å; S253-S255 PolarHBondContact O-N 3.06Å; S255-K258 PolarHBondContact O-N 3.5Å; S255-Y259 VanDerWaalsContact O-CD2 3.31Å; S255-Y259 WeakPolarHBondContact O-CD2 3.3Å; S255-Y259 PolarHBondContact O-N 3.36Å
256	L	88.7	Confident	88.3	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-44.7	178.2	-158.7	104.9	0	0	0	110.8	L220 T222 I252 S253 Q254 K258 S260 A338 M340 V400 W426	L220-L256 HydrophobicContact CD2-CD1 4.27Å; T222-L256 HydrophobicContact CG2-CD1 3.57Å; I252-L256 WeakPolarHBondContact O-CB 3.48Å; I252-L256 PolarHBondContact O-N 2.96Å; S253-L256 WeakPolarHBondContact O-CB 3.2Å; S253-L256 PolarHBondContact O-N 2.73Å; Q254-L256 VanDerWaalsContact C-N 3.34Å; L256-K258 VanDerWaalsContact C-N 3.26Å; L256-K258 PolarHBondContact O-N 2.81Å; L256-S260 WeakPolarHBondContact O-CB 3.46Å; L256-S260 PolarHBondContact O-N 3.38Å; L256-S260 PolarHBondContact O-OG 3.09Å; L256-A338 HydrophobicContact CD2-CB 4.14Å; L256-M340 HydrophobicContact CB-CE 4.05Å; L256-M340 HydrophobicContact CD2-CE 3.57Å; L256-M340 HydrophobicContact CD2-CG 4.2Å; L256-M340 HydrophobicContact CD2-SD 4.45Å; L256-M340 HydrophobicContact CG-CE 4.28Å; L256-V400 HydrophobicContact CD2-CG2 3.81Å; L256-W426 HydrophobicContact CD1-CH2 4.46Å
257	S	86.1	Confident	88.9	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-32.8	178.5	64.1	0	0	0	0	113.4	S253 Q254 R301	S253-S257 PolarHBondContact O-N 3.41Å; Q254-S257 PolarHBondContact O-OG 2.96Å; S257-R301 PolarHBondContact O-NH2 3.15Å
258	K	84.6	Confident	89.4	Confident	51 Å²	51	25.9 Å²	25.9	22%	0.222	13%	0.132	C	C	.	.	H	α-helix	trans	-78.4	-55.8	179.7	-67.8	173.8	-144.4	-147.1	0	112.6	Q254 S255 L256 L287 R301	Q254-K258 VanDerWaalsContact O-CE 3.28Å; Q254-K258 WeakPolarHBondContact O-CE 3.42Å; Q254-K258 WeakPolarHBondContact O-CG 3.44Å; Q254-K258 PolarHBondContact O-N 2.67Å; S255-K258 PolarHBondContact O-N 3.5Å; L256-K258 VanDerWaalsContact C-N 3.26Å; L256-K258 PolarHBondContact O-N 2.81Å; K258-L287 HydrophobicContact CD-CD1 3.79Å; K258-L287 HydrophobicContact CD-CD2 3.9Å; K258-L287 HydrophobicContact CD-CG 4.35Å; K258-L287 HydrophobicContact CG-CD1 3.86Å; K258-L287 VanDerWaalsContact NZ-CD1 3.32Å; K258-R301 PolarHBondContact O-NH2 2.86Å
259	Y	86.3	Confident	89.8	Confident	151 Å²	151	25.1 Å²	25.1	59%	0.592	12%	0.123	S	C	*	.	H	α-helix	trans	-102	-4.2	-164.5	-56.4	-66.4	0	0	0	113.8	S255	S255-Y259 VanDerWaalsContact O-CD2 3.31Å; S255-Y259 WeakPolarHBondContact O-CD2 3.3Å; S255-Y259 PolarHBondContact O-N 3.36Å
260	S	89.2	Confident	90.1	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.042	12%	0.121	C	C	.	.			trans	-64.5	147.1	177.5	64.6	0	0	0	0	112.6	L221 L256 S262 I265	L221-S260 VanDerWaalsContact O-CA 3.24Å; L221-S260 WeakPolarHBondContact O-CA 3.22Å; L256-S260 WeakPolarHBondContact O-CB 3.46Å; L256-S260 PolarHBondContact O-N 3.38Å; L256-S260 PolarHBondContact O-OG 3.09Å; S260-S262 PolarHBondContact O-N 3.13Å; S260-I265 WeakPolarHBondContact OG-CD1 3.39Å
261	N	91.2	Very high	90.3	Very high	44 Å²	44	23 Å²	23	24%	0.235	11%	0.112	C	C	.	.	S	Bend	trans	-78.7	22.7	169.2	61.3	-13.1	0	0	0	112.4	Y218 P219 L221 Q235	Y218-N261 WeakPolarHBondContact CE1-ND2 3.44Å; P219-N261 PolarHBondContact O-ND2 3.14Å; L221-N261 PolarHBondContact N-OD1 3.32Å; L221-N261 VanDerWaalsContact N-OD1 3.14Å; Q235-N261 VanDerWaalsContact NE2-CG 3.3Å; Q235-N261 PolarHBondContact NE2-ND2 3.42Å; Q235-N261 PolarHBondContact NE2-O 3.14Å; Q235-N261 VanDerWaalsContact NE2-O 3.11Å; Q235-N261 PolarHBondContact NE2-OD1 2.88Å
262	S	92.4	Very high	90.3	Very high	2 Å²	2	19 Å²	19	1%	0.014	9%	0.087	C	C	.	.			trans	-88.9	139.8	172.7	-66.8	0	0	0	0	110.4	L220 S260 R301 N336 A338	L220-S262 WeakPolarHBondContact CD1-OG 3.36Å; S260-S262 PolarHBondContact O-N 3.13Å; S262-R301 PolarHBondContact O-NH1 3.3Å; S262-N336 CarbonylContact C-O 3.57Å; S262-N336 WeakPolarHBondContact CA-O 3.49Å; S262-N336 WeakPolarHBondContact CB-O 3.42Å; S262-A338 WeakPolarHBondContact OG-CB 3.4Å
263	E	93	Very high	90.1	Very high	83 Å²	83	24.8 Å²	24.8	39%	0.388	11%	0.108	S	C	.	.	S	Bend	trans	-80.1	-33.6	-177.3	-67.1	163.5	122.8	0	0	111.3	Y335 N336	E263-Y335 HydrophobicContact CB-CD1 3.91Å; E263-Y335 HydrophobicContact CG-CD1 4.34Å; E263-Y335 VanDerWaalsContact OE2-CA 3.28Å; E263-Y335 WeakPolarHBondContact OE2-CA 3.29Å; E263-Y335 WeakPolarHBondContact OE2-CD1 3.41Å; E263-N336 PolarHBondContact N-O 2.91Å; E263-N336 PolarHBondContact OE2-N 2.92Å
264	V	95	Very high	90	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.3	178.9	174.5	0	0	0	0	110.2	M81 I266 F330 Y335 N336 V337 A338	M81-V264 HydrophobicContact CE-CG1 4.07Å; M81-V264 HydrophobicContact CE-CG2 4.25Å; M81-V264 HydrophobicContact SD-CG1 4.23Å; V264-I266 HydrophobicContact CG1-CD1 4Å; V264-I266 HydrophobicContact CG1-CG1 4.46Å; V264-F330 HydrophobicContact CG1-CB 4.25Å; V264-F330 HydrophobicContact CG1-CD1 4.42Å; V264-F330 HydrophobicContact CG1-CD2 3.99Å; V264-F330 HydrophobicContact CG1-CG 3.96Å; V264-F330 HydrophobicContact CG2-CB 4.49Å; V264-F330 HydrophobicContact CG2-CD1 4.2Å; V264-F330 HydrophobicContact CG2-CG 4.37Å; V264-Y335 HydrophobicContact CG2-CD2 4.5Å; V264-Y335 HydrophobicContact CG2-CG 4.39Å; V264-N336 PolarHBondContact N-O 2.81Å; V264-V337 HydrophobicContact CB-CG1 4.46Å; V264-V337 HydrophobicContact CB-CG2 4.32Å; V264-V337 HydrophobicContact CG1-CG1 4.31Å; V264-V337 WeakPolarHBondContact O-CA 3.17Å; V264-A338 PolarHBondContact O-N 2.93Å
265	I	95.3	Very high	90.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.5	177.2	-56.1	-58.7	0	0	0	109.9	S260 R301 T302 V303 A338 M340	S260-I265 WeakPolarHBondContact OG-CD1 3.39Å; I265-R301 PolarHBondContact N-O 2.9Å; I265-T302 HydrophobicContact CB-CG2 4.07Å; I265-T302 HydrophobicContact CG2-CG2 3.99Å; I265-T302 CarbonylContact O-C 3.59Å; I265-T302 VanDerWaalsContact O-CA 3.25Å; I265-T302 WeakPolarHBondContact O-CA 3.27Å; I265-V303 PolarHBondContact O-N 3.21Å; I265-A338 WeakPolarHBondContact CA-O 3.29Å; I265-A338 HydrophobicContact CD1-CB 3.85Å; I265-M340 HydrophobicContact CD1-CE 4.16Å; I265-M340 HydrophobicContact CG2-CE 3.43Å; I265-M340 VanDerWaalsContact CG2-CE 3.43Å; I265-M340 HydrophobicContact CG2-SD 4.36Å
266	I	96.1	Very high	90.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.7	170.8	-51.5	-62.8	0	0	0	108	V264 V268 V303 L326 S327 F330 V337 A338 M339 M340	V264-I266 HydrophobicContact CG1-CD1 4Å; V264-I266 HydrophobicContact CG1-CG1 4.46Å; I266-V268 HydrophobicContact CG2-CG2 4.31Å; I266-V303 HydrophobicContact CD1-CB 3.56Å; I266-V303 HydrophobicContact CD1-CG2 3.49Å; I266-V303 VanDerWaalsContact CD1-CG2 3.49Å; I266-L326 HydrophobicContact CD1-CB 4.45Å; I266-S327 WeakPolarHBondContact CG1-OG 3.49Å; I266-F330 HydrophobicContact CD1-CD2 4.13Å; I266-F330 HydrophobicContact CD1-CE2 4.28Å; I266-V337 HydrophobicContact CG1-CG1 3.86Å; I266-A338 PolarHBondContact N-O 3.1Å; I266-M339 CarbonylContact O-C 3.55Å; I266-M339 VanDerWaalsContact O-CA 3.31Å; I266-M339 WeakPolarHBondContact O-CA 3.41Å; I266-M340 PolarHBondContact O-N 3.22Å
267	Y	95	Very high	89.9	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.5	177.5	-179.1	-86.5	0	0	0	110	M277 V280 V303 L304 V305 M340 D342	Y267-M277 HydrophobicContact CE1-CE 4.15Å; Y267-M277 HydrophobicContact CE1-SD 4.02Å; Y267-V280 HydrophobicContact CD1-CG1 4.37Å; Y267-V280 HydrophobicContact CE1-CG1 4.21Å; Y267-V280 HydrophobicContact CE1-CG2 4.46Å; Y267-V303 PolarHBondContact N-O 3.07Å; Y267-L304 HydrophobicContact CD1-CD2 4.13Å; Y267-L304 HydrophobicContact CG-CD2 4.23Å; Y267-L304 WeakPolarHBondContact O-CA 3.31Å; Y267-V305 PolarHBondContact O-N 2.93Å; Y267-M340 HydrophobicContact CD2-CB 3.69Å; Y267-M340 HydrophobicContact CD2-CG 4.44Å; Y267-M340 HydrophobicContact CD2-SD 3.88Å; Y267-M340 HydrophobicContact CE2-CB 4.31Å; Y267-D342 HydrophobicContact CE2-CB 4.17Å; Y267-D342 PolarHBondContact OH-OD2 3.14Å
268	V	95.3	Very high	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.4	179.1	-174.2	0	0	0	0	109.4	I266 C270 V305 I320 M339 M340 D342	I266-V268 HydrophobicContact CG2-CG2 4.31Å; V268-C270 PolarHBondContact O-N 3.26Å; V268-V305 CarbonylContact C-O 3.57Å; V268-V305 WeakPolarHBondContact CA-O 3.24Å; V268-V305 HydrophobicContact CB-CB 4.42Å; V268-V305 HydrophobicContact CG1-CB 4.17Å; V268-V305 HydrophobicContact CG1-CG1 4.26Å; V268-V305 HydrophobicContact CG2-CB 4.14Å; V268-V305 HydrophobicContact CG2-CG2 4.34Å; V268-I320 HydrophobicContact CG1-CD1 4.02Å; V268-M339 HydrophobicContact CG2-CE 3.75Å; V268-M340 PolarHBondContact N-O 2.68Å; V268-D342 PolarHBondContact O-N 3.15Å
269	G	93.3	Very high	90.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	100.5	168.6	0	0	0	0	0	110.3	V305 N307 D342	G269-V305 PolarHBondContact N-O 3.25Å; G269-N307 CarbonylContact O-C 3.56Å; G269-N307 VanDerWaalsContact O-CA 3.3Å; G269-N307 WeakPolarHBondContact O-CA 3.06Å; G269-N307 WeakPolarHBondContact O-CB 3.33Å; G269-N307 PolarHBondContact O-N 3.48Å; G269-D342 CarbonylContact C-O 2.84Å; G269-D342 WeakPolarHBondContact CA-O 3.37Å
270	C	93.7	Very high	90.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	108.8	176.7	-174.7	0	0	0	0	111	V268 E272 R316 I320 D342 S343 R346	V268-C270 PolarHBondContact O-N 3.26Å; C270-E272 PolarHBondContact O-N 2.85Å; C270-R316 PolarHBondContact SG-O 3.34Å; C270-I320 HydrophobicContact CB-CD1 3.87Å; C270-I320 HydrophobicContact CB-CG1 4.28Å; C270-D342 PolarHBondContact N-O 2.94Å; C270-S343 PolarHBondContact O-N 2.75Å; C270-R346 VanDerWaalsContact O-CB 3.26Å; C270-R346 WeakPolarHBondContact O-CB 3.28Å
271	G	88.4	Confident	89.9	Confident	4 Å²	4	33.6 Å²	33.6	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.1	20.1	175	0	0	0	0	0	114.4	N307	G271-N307 WeakPolarHBondContact CA-O 3.25Å; G271-N307 PolarHBondContact N-O 3.36Å
272	E	86.5	Confident	89.8	Confident	9 Å²	9	38.6 Å²	38.6	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	162.1	179.9	-66.4	-53.9	141	0	0	112.3	C270 M277 T308 S309 D342 S343	C270-E272 PolarHBondContact O-N 2.85Å; E272-M277 HydrophobicContact CB-CG 4.19Å; E272-M277 HydrophobicContact CB-SD 4.37Å; E272-T308 CarbonylContact O-C 2.93Å; E272-T308 WeakPolarHBondContact O-CA 3.4Å; E272-S309 PolarHBondContact O-N 3.25Å; E272-D342 WeakPolarHBondContact CG-O 3.25Å; E272-S343 WeakPolarHBondContact OE1-CB 3.19Å; E272-S343 PolarHBondContact OE1-N 2.87Å; E272-S343 VanDerWaalsContact OE1-N 3.08Å; E272-S343 PolarHBondContact OE1-OG 3.4Å
273	R	86.1	Confident	89.5	Confident	131 Å²	131	40.1 Å²	40.1	49%	0.494	20%	0.2	S	C	.	.			trans	-68.2	140.3	178.1	-60.7	-169.5	-178.6	105.7	-2.9	109.6	N275 E276 M277	R273-N275 PolarHBondContact O-N 2.71Å; R273-N275 VanDerWaalsContact O-N 3.14Å; R273-E276 HydrophobicContact CB-CB 4.44Å; R273-E276 HydrophobicContact CB-CG 4.11Å; R273-E276 WeakPolarHBondContact CD-OE1 3.26Å; R273-E276 IonicContact CZ-OE1 2.68Å; R273-E276 IonicContact NH1-OE1 2.64Å; R273-E276 PolarHBondContact NH1-OE1 2.8Å; R273-E276 PolarHBondContact O-N 2.94Å; R273-M277 PolarHBondContact O-N 3.39Å; R273-M277 VanDerWaalsContact O-N 3.09Å
274	G	85.3	Confident	89.1	Confident	37 Å²	37	36.2 Å²	36.2	38%	0.381	18%	0.182	S	C	.	.	H	α-helix	trans	-54.7	-35.4	178.2	0	0	0	0	0	113.4	M277 S278	G274-M277 PolarHBondContact O-N 2.89Å; G274-S278 WeakPolarHBondContact O-CB 3.4Å; G274-S278 PolarHBondContact O-N 3.17Å
275	N	86.9	Confident	88.8	Confident	134 Å²	134	39.3 Å²	39.3	72%	0.717	20%	0.202	S	C	*	.	H	α-helix	trans	-66.5	-40.8	176.9	-66.6	-6.3	0	0	0	112.6	R273 S278 E279	R273-N275 PolarHBondContact O-N 2.71Å; R273-N275 VanDerWaalsContact O-N 3.14Å; N275-S278 WeakPolarHBondContact CA-OG 3.41Å; N275-S278 PolarHBondContact O-N 2.95Å; N275-S278 PolarHBondContact O-OG 3.2Å; N275-E279 PolarHBondContact O-N 3.4Å
276	E	83.4	Confident	88.4	Confident	49 Å²	49	46.1 Å²	46.1	23%	0.229	23%	0.234	C	C	.	.	H	α-helix	trans	-67.8	-40.8	179.7	-65.7	169.2	-164.8	0	0	110.1	R273 E279 V280	R273-E276 HydrophobicContact CB-CB 4.44Å; R273-E276 HydrophobicContact CB-CG 4.11Å; R273-E276 WeakPolarHBondContact CD-OE1 3.26Å; R273-E276 IonicContact CZ-OE1 2.68Å; R273-E276 IonicContact NH1-OE1 2.64Å; R273-E276 PolarHBondContact NH1-OE1 2.8Å; R273-E276 PolarHBondContact O-N 2.94Å; E276-E279 PolarHBondContact O-N 3.14Å; E276-V280 PolarHBondContact O-N 3.38Å; E276-V280 VanDerWaalsContact O-N 3.1Å
277	M	85.8	Confident	87.9	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-39.4	171.1	-71.7	-54.8	-52.6	0	0	112.3	Y267 E272 R273 G274 E279 V280 L281 A306 T308	Y267-M277 HydrophobicContact CE1-CE 4.15Å; Y267-M277 HydrophobicContact CE1-SD 4.02Å; E272-M277 HydrophobicContact CB-CG 4.19Å; E272-M277 HydrophobicContact CB-SD 4.37Å; R273-M277 PolarHBondContact O-N 3.39Å; R273-M277 VanDerWaalsContact O-N 3.09Å; G274-M277 PolarHBondContact O-N 2.89Å; M277-E279 VanDerWaalsContact C-N 3.31Å; M277-E279 PolarHBondContact O-N 2.88Å; M277-V280 WeakPolarHBondContact O-CB 3.44Å; M277-V280 PolarHBondContact O-N 2.82Å; M277-L281 VanDerWaalsContact O-CG 3.24Å; M277-L281 WeakPolarHBondContact O-CG 3.39Å; M277-L281 PolarHBondContact O-N 3.1Å; M277-A306 HydrophobicContact CE-CB 3.75Å; M277-T308 HydrophobicContact CB-CG2 4.26Å; M277-T308 HydrophobicContact CG-CG2 4.06Å
278	S	87.5	Confident	87.5	Confident	62 Å²	62	52 Å²	52	43%	0.434	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-34	177.1	76	0	0	0	0	112.8	G274 N275 L281 R282	G274-S278 WeakPolarHBondContact O-CB 3.4Å; G274-S278 PolarHBondContact O-N 3.17Å; N275-S278 WeakPolarHBondContact CA-OG 3.41Å; N275-S278 PolarHBondContact O-N 2.95Å; N275-S278 PolarHBondContact O-OG 3.2Å; S278-L281 PolarHBondContact O-N 3.37Å; S278-R282 WeakPolarHBondContact O-CB 3.49Å; S278-R282 PolarHBondContact O-N 3.32Å
279	E	86.9	Confident	86.9	Confident	87 Å²	87	53.1 Å²	53.1	41%	0.407	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-46.2	174.7	-177.4	175.7	-170.8	0	0	110.4	N275 E276 M277 L281 R282 D283	N275-E279 PolarHBondContact O-N 3.4Å; E276-E279 PolarHBondContact O-N 3.14Å; M277-E279 VanDerWaalsContact C-N 3.31Å; M277-E279 PolarHBondContact O-N 2.88Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 3.41Å; E279-R282 PolarHBondContact O-N 3.39Å; E279-D283 VanDerWaalsContact O-CB 3.27Å; E279-D283 WeakPolarHBondContact O-CB 3.49Å; E279-D283 PolarHBondContact O-N 3.45Å
280	V	85.2	Confident	86.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-48.2	172.2	164.2	0	0	0	0	111.2	T250 Y267 E276 M277 R282 D283 F284 L304	T250-V280 HydrophobicContact CG2-CG2 4.46Å; Y267-V280 HydrophobicContact CD1-CG1 4.37Å; Y267-V280 HydrophobicContact CE1-CG1 4.21Å; Y267-V280 HydrophobicContact CE1-CG2 4.46Å; E276-V280 PolarHBondContact O-N 3.38Å; E276-V280 VanDerWaalsContact O-N 3.1Å; M277-V280 WeakPolarHBondContact O-CB 3.44Å; M277-V280 PolarHBondContact O-N 2.82Å; V280-R282 VanDerWaalsContact C-N 3.33Å; V280-R282 PolarHBondContact O-N 2.94Å; V280-D283 PolarHBondContact O-N 3.48Å; V280-F284 HydrophobicContact CB-CD1 4.39Å; V280-F284 HydrophobicContact CB-CE1 4.15Å; V280-F284 HydrophobicContact CG1-CD1 3.83Å; V280-F284 HydrophobicContact CG1-CD2 4.34Å; V280-F284 HydrophobicContact CG1-CE1 3.57Å; V280-F284 HydrophobicContact CG1-CE2 4.12Å; V280-F284 HydrophobicContact CG1-CG 4.21Å; V280-F284 HydrophobicContact CG1-CZ 3.73Å; V280-F284 HydrophobicContact CG2-CE1 4.17Å; V280-F284 VanDerWaalsContact O-CB 3.25Å; V280-F284 WeakPolarHBondContact O-CB 3.4Å; V280-F284 WeakPolarHBondContact O-CD1 3.29Å; V280-F284 WeakPolarHBondContact O-CG 3.47Å; V280-F284 PolarHBondContact O-N 3.45Å; V280-L304 HydrophobicContact CG1-CD1 4.38Å
281	L	86.2	Confident	85.7	Confident	54 Å²	54	62 Å²	62	28%	0.283	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-31.9	-179.6	-69.8	176.4	0	0	0	113.8	I84 M277 S278 E279 P285 L304	I84-L281 HydrophobicContact CD1-CD2 3.53Å; I84-L281 HydrophobicContact CG1-CD2 3.89Å; I84-L281 HydrophobicContact CG2-CD2 4.04Å; M277-L281 VanDerWaalsContact O-CG 3.24Å; M277-L281 WeakPolarHBondContact O-CG 3.39Å; M277-L281 PolarHBondContact O-N 3.1Å; S278-L281 PolarHBondContact O-N 3.37Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 3.41Å; L281-P285 WeakPolarHBondContact O-CD 3.48Å; L281-P285 VanDerWaalsContact O-CG 3.27Å; L281-P285 WeakPolarHBondContact O-CG 3.34Å; L281-L304 HydrophobicContact CD2-CD1 3.46Å; L281-L304 VanDerWaalsContact CD2-CD1 3.46Å
282	R	88.7	Confident	85.2	Confident	150 Å²	150	69.6 Å²	69.6	57%	0.566	36%	0.358	S	S	*	.	H	α-helix	trans	-78.3	-42.8	177.2	-175.8	-169.9	65.8	-155.7	-7	111.7	S278 E279 V280	S278-R282 WeakPolarHBondContact O-CB 3.49Å; S278-R282 PolarHBondContact O-N 3.32Å; E279-R282 PolarHBondContact O-N 3.39Å; V280-R282 VanDerWaalsContact C-N 3.33Å; V280-R282 PolarHBondContact O-N 2.94Å
283	D	86.6	Confident	84.9	Confident	34 Å²	34	71.9 Å²	71.9	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-81.3	-36.5	-170.9	-65.5	2.6	0	0	0	110.9	E279 V280 Q286 L287	E279-D283 VanDerWaalsContact O-CB 3.27Å; E279-D283 WeakPolarHBondContact O-CB 3.49Å; E279-D283 PolarHBondContact O-N 3.45Å; V280-D283 PolarHBondContact O-N 3.48Å; D283-Q286 WeakPolarHBondContact O-CB 3.36Å; D283-Q286 PolarHBondContact O-N 2.94Å; D283-Q286 VanDerWaalsContact O-N 3.09Å; D283-L287 VanDerWaalsContact O-CG 3.31Å; D283-L287 WeakPolarHBondContact O-CG 3.34Å; D283-L287 PolarHBondContact O-N 3.43Å
284	F	85	Confident	84.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-58.6	-45.7	-176.6	-82.7	39.5	0	0	0	114.1	Q254 V280 Q286 L287 I298 M299 T302 L304	Q254-F284 HydrophobicContact CG-CE1 3.98Å; V280-F284 HydrophobicContact CB-CD1 4.39Å; V280-F284 HydrophobicContact CB-CE1 4.15Å; V280-F284 HydrophobicContact CG1-CD1 3.83Å; V280-F284 HydrophobicContact CG1-CD2 4.34Å; V280-F284 HydrophobicContact CG1-CE1 3.57Å; V280-F284 HydrophobicContact CG1-CE2 4.12Å; V280-F284 HydrophobicContact CG1-CG 4.21Å; V280-F284 HydrophobicContact CG1-CZ 3.73Å; V280-F284 HydrophobicContact CG2-CE1 4.17Å; V280-F284 VanDerWaalsContact O-CB 3.25Å; V280-F284 WeakPolarHBondContact O-CB 3.4Å; V280-F284 WeakPolarHBondContact O-CD1 3.29Å; V280-F284 WeakPolarHBondContact O-CG 3.47Å; V280-F284 PolarHBondContact O-N 3.45Å; F284-Q286 PolarHBondContact O-N 3Å; F284-L287 HydrophobicContact CD1-CD1 4.5Å; F284-L287 PolarHBondContact O-N 2.91Å; F284-L287 VanDerWaalsContact O-N 3.16Å; F284-I298 HydrophobicContact CB-CD1 4.22Å; F284-I298 HydrophobicContact CD2-CD1 4.1Å; F284-I298 HydrophobicContact CG-CD1 4.05Å; F284-I298 WeakPolarHBondContact O-CG1 3.36Å; F284-M299 HydrophobicContact CB-CG 4.09Å; F284-M299 HydrophobicContact CB-SD 3.55Å; F284-M299 VanDerWaalsContact CB-SD 3.55Å; F284-M299 HydrophobicContact CD2-SD 4.2Å; F284-M299 HydrophobicContact CG-SD 4.4Å; F284-T302 HydrophobicContact CD2-CG2 4.15Å; F284-T302 HydrophobicContact CE2-CG2 4.14Å; F284-L304 HydrophobicContact CD2-CD1 4.4Å; F284-L304 HydrophobicContact CD2-CD2 4Å; F284-L304 HydrophobicContact CE2-CD2 3.87Å
285	P	86.9	Confident	84.8	Confident	65 Å²	65	71.8 Å²	71.8	42%	0.422	39%	0.391	S	S	.	.	H	α-helix	trans	-59.2	-31.8	176.1	-25.3	33.8	0	0	0	113.9	L281 L287 S297 M299	L281-P285 WeakPolarHBondContact O-CD 3.48Å; L281-P285 VanDerWaalsContact O-CG 3.27Å; L281-P285 WeakPolarHBondContact O-CG 3.34Å; P285-L287 VanDerWaalsContact C-N 3.28Å; P285-L287 PolarHBondContact O-N 3.1Å; P285-S297 PolarHBondContact O-OG 3.44Å; P285-M299 HydrophobicContact CB-CG 4.19Å; P285-M299 HydrophobicContact CG-CG 3.9Å
286	Q	87.4	Confident	84.8	Confident	143 Å²	143	66.9 Å²	66.9	67%	0.668	36%	0.364	S	S	*	.	H	α-helix	trans	-76.6	-16.9	-178.8	-60.1	-177.4	2.1	0	0	113.1	D283 F284	D283-Q286 WeakPolarHBondContact O-CB 3.36Å; D283-Q286 PolarHBondContact O-N 2.94Å; D283-Q286 VanDerWaalsContact O-N 3.09Å; F284-Q286 PolarHBondContact O-N 3Å
287	L	85.1	Confident	85.2	Confident	35 Å²	35	65.9 Å²	65.9	18%	0.183	36%	0.362	C	S	.	.			trans	-85.6	127.4	-177.7	-63.5	167.2	0	0	0	109.8	K258 D283 F284 P285 S297 I298	K258-L287 HydrophobicContact CD-CD1 3.79Å; K258-L287 HydrophobicContact CD-CD2 3.9Å; K258-L287 HydrophobicContact CD-CG 4.35Å; K258-L287 HydrophobicContact CG-CD1 3.86Å; K258-L287 VanDerWaalsContact NZ-CD1 3.32Å; D283-L287 VanDerWaalsContact O-CG 3.31Å; D283-L287 WeakPolarHBondContact O-CG 3.34Å; D283-L287 PolarHBondContact O-N 3.43Å; F284-L287 HydrophobicContact CD1-CD1 4.5Å; F284-L287 PolarHBondContact O-N 2.91Å; F284-L287 VanDerWaalsContact O-N 3.16Å; P285-L287 VanDerWaalsContact C-N 3.28Å; P285-L287 PolarHBondContact O-N 3.1Å; L287-S297 WeakPolarHBondContact O-CA 3.39Å; L287-I298 HydrophobicContact CB-CD1 3.63Å; L287-I298 HydrophobicContact CB-CG1 3.84Å; L287-I298 HydrophobicContact CB-CG2 4.26Å; L287-I298 HydrophobicContact CD1-CD1 3.68Å; L287-I298 HydrophobicContact CG-CD1 4.31Å; L287-I298 PolarHBondContact O-N 2.79Å
288	T	87.4	Confident	85.4	Confident	94 Å²	94	65.7 Å²	65.7	58%	0.577	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	150.5	177.7	57.7	0	0	0	0	111	T295 E296	T288-T295 HydrophobicContact CG2-CG2 4.11Å; T288-E296 CarbonylContact C-O 3.54Å; T288-E296 VanDerWaalsContact CA-O 3.22Å; T288-E296 WeakPolarHBondContact CA-O 3.43Å
289	T	82.6	Confident	85.6	Confident	23 Å²	23	64 Å²	64	14%	0.141	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.7	171.3	-169.1	0	0	0	0	108.8	I291 T295 E296 I298	T289-I291 HydrophobicContact CG2-CD1 3.76Å; T289-I291 HydrophobicContact CG2-CG1 4.03Å; T289-T295 WeakPolarHBondContact O-CA 3.36Å; T289-E296 PolarHBondContact N-O 3.29Å; T289-E296 PolarHBondContact O-N 3.11Å; T289-I298 HydrophobicContact CG2-CG2 4.28Å
290	E	82.4	Confident	85.8	Confident	132 Å²	132	63.2 Å²	63.2	62%	0.617	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.5	175.1	-169.9	-179.3	167.3	0	0	107.9	V294	E290-V294 WeakPolarHBondContact CA-O 3.41Å
291	I	79.9	Confident	86.2	Confident	54 Å²	54	63.7 Å²	63.7	28%	0.277	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.8	177.6	-60	171.3	0	0	0	106.2	L154 T289 G293 V294	L154-I291 HydrophobicContact CD1-CD1 4.2Å; L154-I291 HydrophobicContact CD2-CB 4.1Å; L154-I291 HydrophobicContact CD2-CD1 4.06Å; T289-I291 HydrophobicContact CG2-CD1 3.76Å; T289-I291 HydrophobicContact CG2-CG1 4.03Å; I291-G293 PolarHBondContact O-N 3.07Å; I291-G293 VanDerWaalsContact O-N 3.14Å; I291-V294 PolarHBondContact N-O 2.82Å; I291-V294 VanDerWaalsContact N-O 3.1Å; I291-V294 PolarHBondContact O-N 2.77Å
292	D	78.1	Confident	86.5	Confident	163 Å²	163	61.1 Å²	61.1	87%	0.872	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	34.4	-178	-57.8	-32	0	0	0	114	V294	D292-V294 VanDerWaalsContact C-N 3.25Å; D292-V294 PolarHBondContact O-N 2.85Å
293	G	78.8	Confident	86.9	Confident	58 Å²	58	54 Å²	54	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	3.8	-179.3	0	0	0	0	0	114.9	I291	I291-G293 PolarHBondContact O-N 3.07Å; I291-G293 VanDerWaalsContact O-N 3.14Å
294	V	82.8	Confident	87.2	Confident	76 Å²	76	52.3 Å²	52.3	46%	0.461	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.7	175.5	-169.5	0	0	0	0	109.4	E290 I291 D292 E296	E290-V294 WeakPolarHBondContact CA-O 3.41Å; I291-V294 PolarHBondContact N-O 2.82Å; I291-V294 VanDerWaalsContact N-O 3.1Å; I291-V294 PolarHBondContact O-N 2.77Å; D292-V294 VanDerWaalsContact C-N 3.25Å; D292-V294 PolarHBondContact O-N 2.85Å; V294-E296 HydrophobicContact CG1-CG 3.94Å
295	T	86.6	Confident	87.8	Confident	89 Å²	89	52.3 Å²	52.3	55%	0.546	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.9	173.9	-50.5	0	0	0	0	110.1	T288 T289	T288-T295 HydrophobicContact CG2-CG2 4.11Å; T289-T295 WeakPolarHBondContact O-CA 3.36Å
296	E	87.7	Confident	88.1	Confident	32 Å²	32	49.4 Å²	49.4	15%	0.15	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.9	-178.6	-78.2	-71.8	-161	0	0	112.1	T153 L154 T288 T289 V294 K300	T153-E296 WeakPolarHBondContact CB-OE1 3.41Å; T153-E296 PolarHBondContact OG1-OE1 3.39Å; L154-E296 HydrophobicContact CD1-CB 3.81Å; L154-E296 HydrophobicContact CD2-CB 4.17Å; L154-E296 HydrophobicContact CD2-CG 4.2Å; L154-E296 HydrophobicContact CG-CB 4.06Å; L154-E296 HydrophobicContact CG-CG 4.25Å; T288-E296 CarbonylContact C-O 3.54Å; T288-E296 VanDerWaalsContact CA-O 3.22Å; T288-E296 WeakPolarHBondContact CA-O 3.43Å; T289-E296 PolarHBondContact N-O 3.29Å; T289-E296 PolarHBondContact O-N 3.11Å; V294-E296 HydrophobicContact CG1-CG 3.94Å; E296-K300 IonicContact OE1-NZ 3.79Å; E296-K300 PolarHBondContact OE1-NZ 2.74Å; E296-K300 WeakPolarHBondContact OE2-CD 3.24Å; E296-K300 WeakPolarHBondContact OE2-CE 3.24Å; E296-K300 IonicContact OE2-NZ 2.73Å; E296-K300 PolarHBondContact OE2-NZ 3.38Å
297	S	90.9	Very high	88.4	Confident	28 Å²	28	42.6 Å²	42.6	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.5	176.5	-179.8	0	0	0	0	111.1	P285 L287 M299 K300	P285-S297 PolarHBondContact O-OG 3.44Å; L287-S297 WeakPolarHBondContact O-CA 3.39Å; S297-M299 PolarHBondContact O-N 3.1Å; S297-M299 VanDerWaalsContact O-N 3.13Å; S297-M299 PolarHBondContact OG-N 3.31Å; S297-K300 PolarHBondContact O-N 2.68Å; S297-K300 VanDerWaalsContact O-N 3.14Å
298	I	91.1	Very high	88.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.6	-22.8	176.4	66.7	168.7	0	0	0	112.3	F284 L287 T289 K300 R301 T302	F284-I298 HydrophobicContact CB-CD1 4.22Å; F284-I298 HydrophobicContact CD2-CD1 4.1Å; F284-I298 HydrophobicContact CG-CD1 4.05Å; F284-I298 WeakPolarHBondContact O-CG1 3.36Å; L287-I298 HydrophobicContact CB-CD1 3.63Å; L287-I298 HydrophobicContact CB-CG1 3.84Å; L287-I298 HydrophobicContact CB-CG2 4.26Å; L287-I298 HydrophobicContact CD1-CD1 3.68Å; L287-I298 HydrophobicContact CG-CD1 4.31Å; L287-I298 PolarHBondContact O-N 2.79Å; T289-I298 HydrophobicContact CG2-CG2 4.28Å; I298-K300 PolarHBondContact O-N 2.63Å; I298-R301 CarbonylContact O-C 3.35Å; I298-R301 VanDerWaalsContact O-CG 3.26Å; I298-R301 WeakPolarHBondContact O-CG 3.01Å; I298-R301 PolarHBondContact O-N 3.28Å; I298-T302 WeakPolarHBondContact O-CB 3.46Å; I298-T302 PolarHBondContact O-N 2.62Å; I298-T302 VanDerWaalsContact O-N 3.17Å; I298-T302 PolarHBondContact O-OG1 3.14Å
299	M	91.2	Very high	88.7	Confident	25 Å²	25	40.1 Å²	40.1	12%	0.123	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60.7	-33.7	177.8	-78.2	-60.5	-64	0	0	111.9	G82 F284 P285 S297 R301 T302 L304	G82-M299 WeakPolarHBondContact CA-O 3.1Å; G82-M299 PolarHBondContact N-O 3.13Å; F284-M299 HydrophobicContact CB-CG 4.09Å; F284-M299 HydrophobicContact CB-SD 3.55Å; F284-M299 VanDerWaalsContact CB-SD 3.55Å; F284-M299 HydrophobicContact CD2-SD 4.2Å; F284-M299 HydrophobicContact CG-SD 4.4Å; P285-M299 HydrophobicContact CB-CG 4.19Å; P285-M299 HydrophobicContact CG-CG 3.9Å; S297-M299 PolarHBondContact O-N 3.1Å; S297-M299 VanDerWaalsContact O-N 3.13Å; S297-M299 PolarHBondContact OG-N 3.31Å; M299-R301 PolarHBondContact O-N 3.12Å; M299-R301 VanDerWaalsContact O-N 3.14Å; M299-T302 PolarHBondContact O-N 3.01Å; M299-T302 VanDerWaalsContact O-N 3.09Å; M299-T302 VanDerWaalsContact O-O 3.09Å; M299-L304 HydrophobicContact CE-CD1 4.03Å; M299-L304 HydrophobicContact CE-CG 4.45Å; M299-L304 HydrophobicContact SD-CD1 4.07Å
300	K	91.7	Very high	89	Confident	72 Å²	72	45.1 Å²	45.1	31%	0.313	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-62.5	-22.6	176.6	-70.9	-177.6	172.7	178.5	0	112.9	M81 N152 T153 L154 E296 S297 I298	M81-K300 WeakPolarHBondContact CE-O 3.38Å; N152-K300 HydrophobicContact CB-CB 4.39Å; N152-K300 HydrophobicContact CB-CD 4.38Å; N152-K300 HydrophobicContact CB-CG 4.45Å; N152-K300 PolarHBondContact ND2-O 3.2Å; T153-K300 PolarHBondContact OG1-NZ 2.79Å; L154-K300 HydrophobicContact CD1-CB 4.35Å; E296-K300 IonicContact OE1-NZ 3.79Å; E296-K300 PolarHBondContact OE1-NZ 2.74Å; E296-K300 WeakPolarHBondContact OE2-CD 3.24Å; E296-K300 WeakPolarHBondContact OE2-CE 3.24Å; E296-K300 IonicContact OE2-NZ 2.73Å; E296-K300 PolarHBondContact OE2-NZ 3.38Å; S297-K300 PolarHBondContact O-N 2.68Å; S297-K300 VanDerWaalsContact O-N 3.14Å; I298-K300 PolarHBondContact O-N 2.63Å
301	R	92.6	Very high	89.4	Confident	10 Å²	10	40.4 Å²	40.4	4%	0.038	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-110.7	11	176.3	71.3	168.9	-170.8	179.9	1	114.2	M81 L154 V155 S257 K258 S262 I265 I298 M299	M81-R301 HydrophobicContact CE-CB 4.34Å; M81-R301 WeakPolarHBondContact CE-O 3.37Å; L154-R301 HydrophobicContact CD1-CB 4.35Å; V155-R301 HydrophobicContact CG2-CB 4.39Å; S257-R301 PolarHBondContact O-NH2 3.15Å; K258-R301 PolarHBondContact O-NH2 2.86Å; S262-R301 PolarHBondContact O-NH1 3.3Å; I265-R301 PolarHBondContact N-O 2.9Å; I298-R301 CarbonylContact O-C 3.35Å; I298-R301 VanDerWaalsContact O-CG 3.26Å; I298-R301 WeakPolarHBondContact O-CG 3.01Å; I298-R301 PolarHBondContact O-N 3.28Å; M299-R301 PolarHBondContact O-N 3.12Å; M299-R301 VanDerWaalsContact O-N 3.14Å
302	T	94	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.7	-174.7	-54.4	0	0	0	0	111.5	G82 I265 F284 I298 M299 L304	G82-T302 WeakPolarHBondContact CA-O 3.48Å; G82-T302 PolarHBondContact N-O 3.48Å; I265-T302 HydrophobicContact CB-CG2 4.07Å; I265-T302 HydrophobicContact CG2-CG2 3.99Å; I265-T302 CarbonylContact O-C 3.59Å; I265-T302 VanDerWaalsContact O-CA 3.25Å; I265-T302 WeakPolarHBondContact O-CA 3.27Å; F284-T302 HydrophobicContact CD2-CG2 4.15Å; F284-T302 HydrophobicContact CE2-CG2 4.14Å; I298-T302 WeakPolarHBondContact O-CB 3.46Å; I298-T302 PolarHBondContact O-N 2.62Å; I298-T302 VanDerWaalsContact O-N 3.17Å; I298-T302 PolarHBondContact O-OG1 3.14Å; M299-T302 PolarHBondContact O-N 3.01Å; M299-T302 VanDerWaalsContact O-N 3.09Å; M299-T302 VanDerWaalsContact O-O 3.09Å; T302-L304 HydrophobicContact CG2-CD2 3.71Å; T302-L304 HydrophobicContact CG2-CG 4.37Å
303	V	95.3	Very high	90.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.6	169.5	-170.6	0	0	0	0	108.8	I80 M81 F85 I265 I266 Y267 L326 F330	I80-V303 HydrophobicContact CG2-CB 4.46Å; I80-V303 HydrophobicContact CG2-CG1 3.96Å; I80-V303 HydrophobicContact CG2-CG2 3.63Å; M81-V303 HydrophobicContact SD-CG2 3.73Å; F85-V303 HydrophobicContact CD2-CG1 3.8Å; F85-V303 HydrophobicContact CE2-CG1 3.83Å; I265-V303 PolarHBondContact O-N 3.21Å; I266-V303 HydrophobicContact CD1-CB 3.56Å; I266-V303 HydrophobicContact CD1-CG2 3.49Å; I266-V303 VanDerWaalsContact CD1-CG2 3.49Å; Y267-V303 PolarHBondContact N-O 3.07Å; V303-L326 HydrophobicContact CG1-CD1 4.19Å; V303-F330 HydrophobicContact CG2-CE2 4.22Å
304	L	94.8	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	-179.4	-58.9	-175.3	0	0	0	110.2	S83 I84 F85 Y267 V280 L281 F284 M299 T302	S83-L304 PolarHBondContact O-N 3.29Å; I84-L304 CarbonylContact C-O 3.46Å; I84-L304 WeakPolarHBondContact CA-O 3.3Å; I84-L304 HydrophobicContact CG1-CB 4.28Å; I84-L304 HydrophobicContact CG1-CD1 4.31Å; I84-L304 HydrophobicContact CG2-CB 4.22Å; F85-L304 PolarHBondContact N-O 2.72Å; Y267-L304 HydrophobicContact CD1-CD2 4.13Å; Y267-L304 HydrophobicContact CG-CD2 4.23Å; Y267-L304 WeakPolarHBondContact O-CA 3.31Å; V280-L304 HydrophobicContact CG1-CD1 4.38Å; L281-L304 HydrophobicContact CD2-CD1 3.46Å; L281-L304 VanDerWaalsContact CD2-CD1 3.46Å; F284-L304 HydrophobicContact CD2-CD1 4.4Å; F284-L304 HydrophobicContact CD2-CD2 4Å; F284-L304 HydrophobicContact CE2-CD2 3.87Å; M299-L304 HydrophobicContact CE-CD1 4.03Å; M299-L304 HydrophobicContact CE-CG 4.45Å; M299-L304 HydrophobicContact SD-CD1 4.07Å; T302-L304 HydrophobicContact CG2-CD2 3.71Å; T302-L304 HydrophobicContact CG2-CG 4.37Å
305	V	95.6	Very high	91.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	103.4	169.8	-176.7	0	0	0	0	107.5	F85 Y267 V268 G269 T322 L326	F85-V305 CarbonylContact O-C 3.44Å; F85-V305 WeakPolarHBondContact O-CA 3.49Å; Y267-V305 PolarHBondContact O-N 2.93Å; V268-V305 CarbonylContact C-O 3.57Å; V268-V305 WeakPolarHBondContact CA-O 3.24Å; V268-V305 HydrophobicContact CB-CB 4.42Å; V268-V305 HydrophobicContact CG1-CB 4.17Å; V268-V305 HydrophobicContact CG1-CG1 4.26Å; V268-V305 HydrophobicContact CG2-CB 4.14Å; V268-V305 HydrophobicContact CG2-CG2 4.34Å; G269-V305 PolarHBondContact N-O 3.25Å; V305-T322 HydrophobicContact CG2-CG2 4.48Å; V305-L326 HydrophobicContact CG2-CD1 4.16Å
306	A	93.8	Very high	91.7	Very high	4 Å²	4	24 Å²	24	3%	0.033	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.8	-175.6	0	0	0	0	0	110.5	I84 F85 L92 M277	I84-A306 HydrophobicContact CG2-CB 4.34Å; F85-A306 PolarHBondContact O-N 3.41Å; L92-A306 HydrophobicContact CD1-CB 4.06Å; M277-A306 HydrophobicContact CE-CB 3.75Å
307	N	93.3	Very high	91.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	95.6	168.9	-169.8	100.5	0	0	0	110.2	G269 G271 M311 A315 R316	G269-N307 CarbonylContact O-C 3.56Å; G269-N307 VanDerWaalsContact O-CA 3.3Å; G269-N307 WeakPolarHBondContact O-CA 3.06Å; G269-N307 WeakPolarHBondContact O-CB 3.33Å; G269-N307 PolarHBondContact O-N 3.48Å; G271-N307 WeakPolarHBondContact CA-O 3.25Å; G271-N307 PolarHBondContact N-O 3.36Å; N307-M311 HydrophobicContact CB-SD 4.4Å; N307-A315 VanDerWaalsContact OD1-C 3.25Å; N307-A315 WeakPolarHBondContact OD1-CB 3.31Å; N307-A315 PolarHBondContact OD1-O 3.16Å; N307-R316 WeakPolarHBondContact ND2-CG 3.2Å
308	T	92.4	Very high	92	Very high	19 Å²	19	21.5 Å²	21.5	12%	0.117	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	162.7	-178.7	45.4	0	0	0	0	112.7	E272 M277 N310 M311	E272-T308 CarbonylContact O-C 2.93Å; E272-T308 WeakPolarHBondContact O-CA 3.4Å; M277-T308 HydrophobicContact CB-CG2 4.26Å; M277-T308 HydrophobicContact CG-CG2 4.06Å; T308-N310 WeakPolarHBondContact CB-OD1 3.11Å; T308-N310 PolarHBondContact O-N 2.54Å; T308-N310 PolarHBondContact OG1-OD1 3.09Å; T308-M311 WeakPolarHBondContact O-CB 3.46Å; T308-M311 PolarHBondContact O-N 2.93Å; T308-M311 WeakPolarHBondContact OG1-CG 3.36Å
309	S	88	Confident	92.2	Very high	58 Å²	58	21.5 Å²	21.5	41%	0.406	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.7	-178.6	60.9	0	0	0	0	114.8	E272 R316	E272-S309 PolarHBondContact O-N 3.25Å; S309-R316 PolarHBondContact O-NH2 3.29Å
310	N	89.1	Confident	92.4	Very high	128 Å²	128	20.3 Å²	20.3	68%	0.684	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.4	173.1	65.9	-21.7	0	0	0	113.6	T308	T308-N310 WeakPolarHBondContact CB-OD1 3.11Å; T308-N310 PolarHBondContact O-N 2.54Å; T308-N310 PolarHBondContact OG1-OD1 3.09Å
311	M	89.9	Confident	92.6	Very high	33 Å²	33	17.3 Å²	17.3	16%	0.163	10%	0.098	C	C	.	.	S	Bend	trans	-77.2	154.7	174.1	-68.7	-178	-178.2	0	0	110.9	I104 N307 T308	I104-M311 HydrophobicContact CD1-CE 3.86Å; N307-M311 HydrophobicContact CB-SD 4.4Å; T308-M311 WeakPolarHBondContact O-CB 3.46Å; T308-M311 PolarHBondContact O-N 2.93Å; T308-M311 WeakPolarHBondContact OG1-CG 3.36Å
312	P	89.5	Confident	92.8	Very high	29 Å²	29	16.9 Å²	16.9	19%	0.188	10%	0.097	C	C	.	.			trans	-55.4	147.6	-175.9	-29.6	38.6	0	0	0	113.9	Y34 A314 A315 R316	Y34-P312 WeakPolarHBondContact O-CB 3.36Å; Y34-P312 VanDerWaalsContact O-CG 3.29Å; Y34-P312 WeakPolarHBondContact O-CG 3.48Å; P312-A314 VanDerWaalsContact C-N 3.29Å; P312-A314 PolarHBondContact O-N 2.94Å; P312-A315 WeakPolarHBondContact O-CB 3.4Å; P312-A315 PolarHBondContact O-N 3.42Å; P312-R316 PolarHBondContact O-N 3.32Å
313	V	91.1	Very high	93	Very high	22 Å²	22	16.9 Å²	16.9	13%	0.133	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-37.4	-174.7	179.6	0	0	0	0	111.9	A315 R316 A350 E353 I354	V313-A315 VanDerWaalsContact C-N 3.28Å; V313-A315 PolarHBondContact O-N 2.78Å; V313-R316 VanDerWaalsContact O-CB 3.31Å; V313-R316 WeakPolarHBondContact O-CB 3.3Å; V313-R316 PolarHBondContact O-N 2.81Å; V313-A350 VanDerWaalsContact CG1-CA 3.48Å; V313-A350 HydrophobicContact CG1-CB 3.5Å; V313-E353 HydrophobicContact CG1-CB 4.12Å; V313-E353 HydrophobicContact CG1-CG 4.48Å; V313-E353 VanDerWaalsContact CG2-OE2 3.28Å; V313-E353 WeakPolarHBondContact CG2-OE2 3.28Å; V313-I354 HydrophobicContact CG1-CG1 4.32Å
314	A	90.3	Very high	93.1	Very high	6 Å²	6	16.9 Å²	16.9	5%	0.05	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-36.3	174.9	0	0	0	0	0	112.4	Q32 Y34 P312 R316 E317 A318	Q32-A314 HydrophobicContact CG-CB 3.71Å; Y34-A314 VanDerWaalsContact CD1-C 3.44Å; Y34-A314 HydrophobicContact CD1-CB 3.36Å; Y34-A314 WeakPolarHBondContact CD1-O 3.46Å; Y34-A314 HydrophobicContact CE1-CB 3.75Å; Y34-A314 WeakPolarHBondContact CE1-O 3.2Å; Y34-A314 HydrophobicContact CG-CB 4.22Å; P312-A314 VanDerWaalsContact C-N 3.29Å; P312-A314 PolarHBondContact O-N 2.94Å; A314-R316 VanDerWaalsContact C-N 3.25Å; A314-R316 PolarHBondContact O-N 3.02Å; A314-E317 PolarHBondContact O-N 2.99Å; A314-A318 PolarHBondContact O-N 3.35Å; A314-A318 VanDerWaalsContact O-N 3.14Å
315	A	91.4	Very high	93.2	Very high	7 Å²	7	16.9 Å²	16.9	6%	0.058	10%	0.097	C	C	.	.	H	α-helix	trans	-68.8	-25.6	179.7	0	0	0	0	0	112	N307 P312 V313 A318 S319	N307-A315 VanDerWaalsContact OD1-C 3.25Å; N307-A315 WeakPolarHBondContact OD1-CB 3.31Å; N307-A315 PolarHBondContact OD1-O 3.16Å; P312-A315 WeakPolarHBondContact O-CB 3.4Å; P312-A315 PolarHBondContact O-N 3.42Å; V313-A315 VanDerWaalsContact C-N 3.28Å; V313-A315 PolarHBondContact O-N 2.78Å; A315-A318 PolarHBondContact O-N 2.79Å; A315-S319 WeakPolarHBondContact O-CB 3.48Å; A315-S319 PolarHBondContact O-N 2.98Å
316	R	92.3	Very high	93.3	Very high	31 Å²	31	16.9 Å²	16.9	12%	0.117	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-37.7	171.8	-64.2	175.6	-173	-173.1	7	112.8	C270 N307 S309 P312 V313 A314 S319 A350	C270-R316 PolarHBondContact SG-O 3.34Å; N307-R316 WeakPolarHBondContact ND2-CG 3.2Å; S309-R316 PolarHBondContact O-NH2 3.29Å; P312-R316 PolarHBondContact O-N 3.32Å; V313-R316 VanDerWaalsContact O-CB 3.31Å; V313-R316 WeakPolarHBondContact O-CB 3.3Å; V313-R316 PolarHBondContact O-N 2.81Å; A314-R316 VanDerWaalsContact C-N 3.25Å; A314-R316 PolarHBondContact O-N 3.02Å; R316-S319 PolarHBondContact O-OG 2.87Å; R316-A350 HydrophobicContact CB-CB 3.95Å
317	E	92	Very high	93.5	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.033	10%	0.095	C	C	.	.	H	α-helix	trans	-70.8	-45.9	174.2	177.8	-174.1	170.9	0	0	110.5	R205 A314 S319 I320 Y321 L351 I354	R205-E317 IonicContact CZ-OE1 2.67Å; R205-E317 IonicContact NH1-OE1 3.9Å; R205-E317 PolarHBondContact NH1-OE1 3.31Å; R205-E317 IonicContact NH2-OE1 3.65Å; R205-E317 PolarHBondContact NH2-OE1 3.03Å; R205-E317 VanDerWaalsContact NH2-OE1 3.1Å; A314-E317 PolarHBondContact O-N 2.99Å; E317-S319 VanDerWaalsContact C-N 3.31Å; E317-S319 PolarHBondContact O-N 3.21Å; E317-I320 PolarHBondContact O-N 2.92Å; E317-Y321 HydrophobicContact CG-CD2 3.99Å; E317-Y321 HydrophobicContact CG-CE2 3.66Å; E317-Y321 VanDerWaalsContact O-CD2 3.29Å; E317-Y321 WeakPolarHBondContact O-CD2 3.24Å; E317-L351 HydrophobicContact CG-CD2 4.23Å; E317-I354 WeakPolarHBondContact OE2-CD1 3.4Å
318	A	93	Very high	93.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-39.7	179.3	0	0	0	0	0	112.3	Y34 L72 G87 I88 A314 A315 I320 Y321 T322	Y34-A318 HydrophobicContact CD1-CB 4.3Å; Y34-A318 HydrophobicContact CE1-CB 3.95Å; L72-A318 HydrophobicContact CD2-CB 3.91Å; G87-A318 CarbonylContact O-C 3.54Å; G87-A318 WeakPolarHBondContact O-CB 3.31Å; I88-A318 HydrophobicContact CG2-CB 4.28Å; A314-A318 PolarHBondContact O-N 3.35Å; A314-A318 VanDerWaalsContact O-N 3.14Å; A315-A318 PolarHBondContact O-N 2.79Å; A318-I320 VanDerWaalsContact C-N 3.34Å; A318-I320 PolarHBondContact O-N 2.92Å; A318-Y321 PolarHBondContact O-N 3.03Å; A318-Y321 VanDerWaalsContact O-N 3.1Å; A318-T322 WeakPolarHBondContact O-CB 3.24Å; A318-T322 PolarHBondContact O-N 3.01Å; A318-T322 PolarHBondContact O-OG1 3.42Å
319	S	95.4	Very high	93.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-40.4	-176.4	69.7	0	0	0	0	113.5	G87 A315 R316 E317 T322 G323	G87-S319 PolarHBondContact O-N 3.21Å; A315-S319 WeakPolarHBondContact O-CB 3.48Å; A315-S319 PolarHBondContact O-N 2.98Å; R316-S319 PolarHBondContact O-OG 2.87Å; E317-S319 VanDerWaalsContact C-N 3.31Å; E317-S319 PolarHBondContact O-N 3.21Å; S319-T322 PolarHBondContact O-N 3.46Å; S319-G323 PolarHBondContact O-N 3.04Å
320	I	96	Very high	94.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.8	-45	176.4	-63.6	-65.9	0	0	0	110.3	V268 C270 E317 A318 G323 I324 A341 W347 F378	V268-I320 HydrophobicContact CG1-CD1 4.02Å; C270-I320 HydrophobicContact CB-CD1 3.87Å; C270-I320 HydrophobicContact CB-CG1 4.28Å; E317-I320 PolarHBondContact O-N 2.92Å; A318-I320 VanDerWaalsContact C-N 3.34Å; A318-I320 PolarHBondContact O-N 2.92Å; I320-G323 PolarHBondContact O-N 2.8Å; I320-I324 WeakPolarHBondContact O-CG2 3.39Å; I320-I324 PolarHBondContact O-N 2.82Å; I320-A341 HydrophobicContact CD1-CB 4.06Å; I320-W347 HydrophobicContact CB-CD2 4.39Å; I320-W347 HydrophobicContact CG1-CB 4.11Å; I320-W347 HydrophobicContact CG1-CD2 4.05Å; I320-W347 HydrophobicContact CG1-CE3 4.31Å; I320-W347 HydrophobicContact CG1-CG 3.95Å; I320-W347 HydrophobicContact CG2-CD2 4.32Å; I320-W347 HydrophobicContact CG2-CE3 4.1Å; I320-W347 HydrophobicContact CG2-CH2 4.36Å; I320-W347 HydrophobicContact CG2-CZ3 4.11Å; I320-F378 HydrophobicContact CG2-CD2 3.54Å; I320-F378 HydrophobicContact CG2-CE2 3.46Å; I320-F378 VanDerWaalsContact CG2-CE2 3.46Å; I320-F378 HydrophobicContact CG2-CG 4.18Å; I320-F378 HydrophobicContact CG2-CZ 4.04Å
321	Y	96	Very high	94.7	Very high	8 Å²	8	7.4 Å²	7.4	3%	0.031	4%	0.039	C	C	.	.	H	α-helix	trans	-68	-37.1	178.6	-70.7	-56	0	0	0	113	R205 E317 A318 I324 T325 W347 R374	R205-Y321 VanDerWaalsContact NH1-CE2 3.27Å; E317-Y321 HydrophobicContact CG-CD2 3.99Å; E317-Y321 HydrophobicContact CG-CE2 3.66Å; E317-Y321 VanDerWaalsContact O-CD2 3.29Å; E317-Y321 WeakPolarHBondContact O-CD2 3.24Å; A318-Y321 PolarHBondContact O-N 3.03Å; A318-Y321 VanDerWaalsContact O-N 3.1Å; Y321-I324 VanDerWaalsContact O-CG2 3.26Å; Y321-I324 WeakPolarHBondContact O-CG2 2.95Å; Y321-T325 WeakPolarHBondContact O-CB 3.39Å; Y321-T325 PolarHBondContact O-N 2.83Å; Y321-T325 VanDerWaalsContact O-N 3.12Å; Y321-T325 PolarHBondContact O-OG1 2.98Å; Y321-W347 HydrophobicContact CE2-CZ2 4.3Å; Y321-W347 AromaticContact CZ-CZ2 3.99Å; Y321-R374 WeakPolarHBondContact OH-CD 3.39Å; Y321-R374 PolarHBondContact OH-NH1 3.49Å
322	T	96.4	Very high	95	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.006	3%	0.034	C	C	.	.	H	α-helix	trans	-60.7	-52.8	172.5	-63.3	0	0	0	0	110.2	V74 G87 Q89 V305 A318 S319 I324 T325 L326	V74-T322 HydrophobicContact CG1-CG2 3.91Å; G87-T322 PolarHBondContact O-OG1 3.22Å; Q89-T322 HydrophobicContact CB-CG2 4.14Å; Q89-T322 HydrophobicContact CG-CG2 4.3Å; V305-T322 HydrophobicContact CG2-CG2 4.48Å; A318-T322 WeakPolarHBondContact O-CB 3.24Å; A318-T322 PolarHBondContact O-N 3.01Å; A318-T322 PolarHBondContact O-OG1 3.42Å; S319-T322 PolarHBondContact O-N 3.46Å; T322-I324 PolarHBondContact O-N 2.7Å; T322-T325 PolarHBondContact O-N 3Å; T322-L326 HydrophobicContact CG2-CD1 4.15Å; T322-L326 WeakPolarHBondContact O-CG 3.5Å; T322-L326 PolarHBondContact O-N 3.18Å
323	G	96.7	Very high	95.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.6	-40.1	-177.9	0	0	0	0	0	114.4	S319 I320 T325 L326 S327	S319-G323 PolarHBondContact O-N 3.04Å; I320-G323 PolarHBondContact O-N 2.8Å; G323-T325 VanDerWaalsContact C-N 3.33Å; G323-T325 PolarHBondContact O-N 2.84Å; G323-L326 PolarHBondContact O-N 3.45Å; G323-S327 WeakPolarHBondContact O-CB 3.39Å; G323-S327 PolarHBondContact O-N 3.35Å; G323-S327 PolarHBondContact O-OG 2.96Å
324	I	97.6	Very high	95.4	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-68.7	-33.8	176	-172	60.9	0	0	0	111.8	I320 Y321 T322 S327 E328 M339 F378 R381 I397 I399	I320-I324 WeakPolarHBondContact O-CG2 3.39Å; I320-I324 PolarHBondContact O-N 2.82Å; Y321-I324 VanDerWaalsContact O-CG2 3.26Å; Y321-I324 WeakPolarHBondContact O-CG2 2.95Å; T322-I324 PolarHBondContact O-N 2.7Å; I324-S327 WeakPolarHBondContact O-CB 3.38Å; I324-S327 PolarHBondContact O-N 3.33Å; I324-E328 WeakPolarHBondContact O-CG 3.45Å; I324-E328 PolarHBondContact O-N 3.42Å; I324-M339 HydrophobicContact CB-CE 4.1Å; I324-M339 HydrophobicContact CB-SD 3.78Å; I324-M339 HydrophobicContact CD1-SD 3.63Å; I324-M339 HydrophobicContact CG1-SD 4.29Å; I324-F378 HydrophobicContact CB-CD2 4.34Å; I324-F378 HydrophobicContact CB-CE2 4.04Å; I324-F378 HydrophobicContact CG1-CD2 4.49Å; I324-F378 HydrophobicContact CG1-CE2 4.39Å; I324-F378 HydrophobicContact CG2-CD2 4.44Å; I324-R381 HydrophobicContact CD1-CB 4.02Å; I324-R381 HydrophobicContact CG1-CB 3.8Å; I324-R381 HydrophobicContact CG1-CG 4.46Å; I324-R381 VanDerWaalsContact CG2-CZ 3.41Å; I324-R381 VanDerWaalsContact CG2-NH1 3.27Å; I324-I397 HydrophobicContact CD1-CG2 4.19Å; I324-I399 HydrophobicContact CD1-CD1 3.65Å; I324-I399 HydrophobicContact CD1-CG1 4.28Å
325	T	97.5	Very high	95.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-70.5	-38.4	177.9	-55.8	0	0	0	0	111.4	V74 W202 V204 Y321 T322 G323 S327 E328 Y329 R381	V74-T325 HydrophobicContact CG2-CG2 3.56Å; W202-T325 HydrophobicContact CG-CG2 4.49Å; V204-T325 WeakPolarHBondContact CA-OG1 3.43Å; V204-T325 PolarHBondContact O-OG1 3.14Å; Y321-T325 WeakPolarHBondContact O-CB 3.39Å; Y321-T325 PolarHBondContact O-N 2.83Å; Y321-T325 VanDerWaalsContact O-N 3.12Å; Y321-T325 PolarHBondContact O-OG1 2.98Å; T322-T325 PolarHBondContact O-N 3Å; G323-T325 VanDerWaalsContact C-N 3.33Å; G323-T325 PolarHBondContact O-N 2.84Å; T325-S327 VanDerWaalsContact C-N 3.33Å; T325-E328 PolarHBondContact O-N 3.27Å; T325-Y329 PolarHBondContact O-N 3.23Å; T325-R381 PolarHBondContact OG1-NH2 3.49Å
326	L	97.3	Very high	95.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.6	-42.2	169.2	-66.4	173	0	0	0	111.1	L76 I80 I266 V303 V305 T322 G323 E328 Y329 F330	L76-L326 HydrophobicContact CD2-CD2 3.76Å; I80-L326 HydrophobicContact CD1-CD2 4.02Å; I80-L326 HydrophobicContact CG2-CD2 4.23Å; I266-L326 HydrophobicContact CD1-CB 4.45Å; V303-L326 HydrophobicContact CG1-CD1 4.19Å; V305-L326 HydrophobicContact CG2-CD1 4.16Å; T322-L326 HydrophobicContact CG2-CD1 4.15Å; T322-L326 WeakPolarHBondContact O-CG 3.5Å; T322-L326 PolarHBondContact O-N 3.18Å; G323-L326 PolarHBondContact O-N 3.45Å; L326-E328 PolarHBondContact O-N 2.99Å; L326-Y329 WeakPolarHBondContact O-CB 3.34Å; L326-Y329 PolarHBondContact O-N 2.84Å; L326-F330 VanDerWaalsContact O-CD2 3.25Å; L326-F330 WeakPolarHBondContact O-CD2 3.37Å; L326-F330 PolarHBondContact O-N 3.21Å
327	S	97.7	Very high	96.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.3	-42.9	177.5	-55.3	0	0	0	0	112.2	I266 G323 I324 T325 Y329 F330 R331	I266-S327 WeakPolarHBondContact CG1-OG 3.49Å; G323-S327 WeakPolarHBondContact O-CB 3.39Å; G323-S327 PolarHBondContact O-N 3.35Å; G323-S327 PolarHBondContact O-OG 2.96Å; I324-S327 WeakPolarHBondContact O-CB 3.38Å; I324-S327 PolarHBondContact O-N 3.33Å; T325-S327 VanDerWaalsContact C-N 3.33Å; S327-Y329 VanDerWaalsContact C-N 3.31Å; S327-Y329 PolarHBondContact O-N 2.87Å; S327-F330 PolarHBondContact O-N 2.95Å; S327-R331 WeakPolarHBondContact O-CB 3.18Å; S327-R331 PolarHBondContact O-N 2.99Å
328	E	97.7	Very high	96.4	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.009	3%	0.029	C	C	.	.	H	α-helix	trans	-64.3	-34.5	174.7	-72.3	178.7	165.8	0	0	113.2	R208 I324 T325 L326 R331 D332 R381 I397	R208-E328 HydrophobicContact CB-CB 4.05Å; R208-E328 HydrophobicContact CG-CB 4.03Å; R208-E328 WeakPolarHBondContact CG-OE2 3.17Å; R208-E328 PolarHBondContact N-OE2 2.86Å; I324-E328 WeakPolarHBondContact O-CG 3.45Å; I324-E328 PolarHBondContact O-N 3.42Å; T325-E328 PolarHBondContact O-N 3.27Å; L326-E328 PolarHBondContact O-N 2.99Å; E328-R331 WeakPolarHBondContact O-CB 3.42Å; E328-R331 PolarHBondContact O-N 3.1Å; E328-D332 PolarHBondContact O-N 2.95Å; E328-R381 WeakPolarHBondContact OE1-CB 3.44Å; E328-R381 IonicContact OE1-CZ 2.7Å; E328-R381 IonicContact OE1-NE 2.78Å; E328-R381 PolarHBondContact OE1-NE 3.33Å; E328-R381 IonicContact OE1-NH2 2.89Å; E328-R381 PolarHBondContact OE1-NH2 3.22Å; E328-R381 IonicContact OE2-CZ 2.87Å; E328-R381 IonicContact OE2-NE 3.81Å; E328-R381 IonicContact OE2-NH2 2.69Å; E328-R381 PolarHBondContact OE2-NH2 3.06Å; E328-I397 HydrophobicContact CB-CD1 4.12Å; E328-I397 HydrophobicContact CG-CD1 3.49Å; E328-I397 VanDerWaalsContact CG-CD1 3.49Å
329	Y	97.3	Very high	96.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.5	-46.8	177.1	177.2	-127.1	0	0	0	112.3	L76 I80 H157 M160 T325 L326 S327 D332 M333	L76-Y329 HydrophobicContact CB-CD1 3.83Å; L76-Y329 HydrophobicContact CB-CD2 4Å; L76-Y329 HydrophobicContact CB-CE1 3.81Å; L76-Y329 HydrophobicContact CB-CE2 4.05Å; L76-Y329 HydrophobicContact CB-CG 3.88Å; L76-Y329 HydrophobicContact CD1-CD2 3.98Å; L76-Y329 HydrophobicContact CD1-CG 3.96Å; L76-Y329 HydrophobicContact CD2-CD1 4.01Å; L76-Y329 HydrophobicContact CD2-CG 3.96Å; L76-Y329 HydrophobicContact CG-CD1 4.38Å; L76-Y329 HydrophobicContact CG-CD2 4.47Å; L76-Y329 HydrophobicContact CG-CG 4.15Å; I80-Y329 HydrophobicContact CD1-CD1 4.38Å; I80-Y329 HydrophobicContact CD1-CE1 4.28Å; H157-Y329 AromaticContact CE1-CE1 3.75Å; H157-Y329 AromaticContact NE2-CE1 3.42Å; H157-Y329 WeakPolarHBondContact NE2-CE1 3.38Å; H157-Y329 AromaticContact NE2-CZ 3.5Å; H157-Y329 PolarHBondContact NE2-OH 3.38Å; M160-Y329 HydrophobicContact CE-CD2 3.83Å; M160-Y329 HydrophobicContact CE-CE2 3.53Å; T325-Y329 PolarHBondContact O-N 3.23Å; L326-Y329 WeakPolarHBondContact O-CB 3.34Å; L326-Y329 PolarHBondContact O-N 2.84Å; S327-Y329 VanDerWaalsContact C-N 3.31Å; S327-Y329 PolarHBondContact O-N 2.87Å; Y329-D332 PolarHBondContact O-N 3.21Å; Y329-M333 HydrophobicContact CD1-CE 3.78Å; Y329-M333 HydrophobicContact CD2-CE 4.18Å; Y329-M333 HydrophobicContact CE1-CE 3.24Å; Y329-M333 HydrophobicContact CE2-CE 3.64Å; Y329-M333 HydrophobicContact CG-CE 4.25Å; Y329-M333 WeakPolarHBondContact OH-CE 3.38Å
330	F	97	Very high	96.5	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-68.5	-34.4	176	-73.6	-71	0	0	0	112.5	I80 M81 V264 I266 V303 L326 S327 D332 M333 Y335 V337	I80-F330 HydrophobicContact CB-CZ 4.21Å; I80-F330 HydrophobicContact CG2-CE2 3.81Å; I80-F330 HydrophobicContact CG2-CZ 3.9Å; M81-F330 HydrophobicContact CG-CE1 4.07Å; M81-F330 HydrophobicContact CG-CZ 3.88Å; M81-F330 HydrophobicContact SD-CD1 4.39Å; M81-F330 HydrophobicContact SD-CE1 3.53Å; M81-F330 VanDerWaalsContact SD-CE1 3.53Å; M81-F330 HydrophobicContact SD-CE2 3.78Å; M81-F330 HydrophobicContact SD-CZ 3.17Å; M81-F330 WeakPolarHBondContact SD-CZ 3.27Å; V264-F330 HydrophobicContact CG1-CB 4.25Å; V264-F330 HydrophobicContact CG1-CD1 4.42Å; V264-F330 HydrophobicContact CG1-CD2 3.99Å; V264-F330 HydrophobicContact CG1-CG 3.96Å; V264-F330 HydrophobicContact CG2-CB 4.49Å; V264-F330 HydrophobicContact CG2-CD1 4.2Å; V264-F330 HydrophobicContact CG2-CG 4.37Å; I266-F330 HydrophobicContact CD1-CD2 4.13Å; I266-F330 HydrophobicContact CD1-CE2 4.28Å; V303-F330 HydrophobicContact CG2-CE2 4.22Å; L326-F330 VanDerWaalsContact O-CD2 3.25Å; L326-F330 WeakPolarHBondContact O-CD2 3.37Å; L326-F330 PolarHBondContact O-N 3.21Å; S327-F330 PolarHBondContact O-N 2.95Å; F330-D332 VanDerWaalsContact C-N 3.31Å; F330-D332 PolarHBondContact O-N 3.46Å; F330-M333 HydrophobicContact CD1-CE 4.1Å; F330-M333 HydrophobicContact CD1-SD 4.01Å; F330-M333 HydrophobicContact CE1-CE 4.21Å; F330-M333 HydrophobicContact CE1-SD 4.42Å; F330-M333 WeakPolarHBondContact O-CB 3.25Å; F330-M333 PolarHBondContact O-N 3.47Å; F330-Y335 HydrophobicContact CD1-CD2 4.47Å; F330-Y335 WeakPolarHBondContact O-CB 3.45Å; F330-Y335 PolarHBondContact O-N 3.19Å; F330-V337 HydrophobicContact CB-CG2 3.63Å
331	R	96.8	Very high	96.4	Very high	8 Å²	8	5.1 Å²	5.1	3%	0.03	3%	0.029	C	C	.	.	H	α-helix	trans	-56.1	-45.7	171	179.8	-154.4	60.8	-159.5	-1.3	111.3	R208 V210 S327 E328 M333 G334 V337 T385 C387 I397	R208-R331 PolarHBondContact O-NH2 3.36Å; V210-R331 VanDerWaalsContact CG1-CZ 3.43Å; S327-R331 WeakPolarHBondContact O-CB 3.18Å; S327-R331 PolarHBondContact O-N 2.99Å; E328-R331 WeakPolarHBondContact O-CB 3.42Å; E328-R331 PolarHBondContact O-N 3.1Å; R331-M333 PolarHBondContact O-N 3.23Å; R331-G334 WeakPolarHBondContact O-CA 3.32Å; R331-G334 PolarHBondContact O-N 3.45Å; R331-V337 HydrophobicContact CB-CG2 4.48Å; R331-T385 WeakPolarHBondContact CD-OG1 3.32Å; R331-C387 PolarHBondContact O-SG 3.28Å; R331-I397 HydrophobicContact CB-CD1 3.94Å; R331-I397 HydrophobicContact CB-CG1 3.64Å; R331-I397 HydrophobicContact CG-CD1 4.25Å; R331-I397 HydrophobicContact CG-CG1 3.89Å
332	D	96.2	Very high	96.2	Very high	9 Å²	9	4.9 Å²	4.9	5%	0.048	3%	0.028	C	C	.	.	H	α-helix	trans	-64.4	-22.3	-176.9	-68.6	-4	0	0	0	113.4	M160 R208 E328 Y329 F330 G334 R393	M160-D332 HydrophobicContact CE-CB 3.79Å; M160-D332 VanDerWaalsContact SD-C 3.53Å; M160-D332 HydrophobicContact SD-CB 3.97Å; R208-D332 IonicContact CZ-OD2 3.61Å; R208-D332 VanDerWaalsContact CZ-OD2 3.22Å; R208-D332 IonicContact NE-OD2 3.24Å; R208-D332 PolarHBondContact NE-OD2 3.05Å; R208-D332 IonicContact NH2-OD2 2.7Å; R208-D332 PolarHBondContact NH2-OD2 3.14Å; E328-D332 PolarHBondContact O-N 2.95Å; Y329-D332 PolarHBondContact O-N 3.21Å; F330-D332 VanDerWaalsContact C-N 3.31Å; F330-D332 PolarHBondContact O-N 3.46Å; D332-G334 PolarHBondContact O-N 3.18Å; D332-R393 PolarHBondContact O-NE 3.19Å; D332-R393 PolarHBondContact O-NH2 3.4Å
333	M	94.8	Very high	95.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.1	170.3	-58.8	-178.7	-164.6	0	0	112.8	H157 K158 M160 Y329 F330 R331 Y335 R393	H157-M333 VanDerWaalsContact CD2-CE 3.47Å; H157-M333 WeakPolarHBondContact CD2-CE 3.29Å; H157-M333 WeakPolarHBondContact NE2-CE 3.27Å; K158-M333 HydrophobicContact CB-CB 4.25Å; K158-M333 HydrophobicContact CB-CG 4.14Å; K158-M333 HydrophobicContact CB-SD 4.44Å; K158-M333 HydrophobicContact CD-CB 4.31Å; K158-M333 WeakPolarHBondContact CD-O 3.27Å; K158-M333 WeakPolarHBondContact CE-O 3.22Å; K158-M333 PolarHBondContact NZ-O 2.9Å; M160-M333 HydrophobicContact CE-CE 4.31Å; M160-M333 HydrophobicContact CE-CG 3.51Å; M160-M333 HydrophobicContact SD-CG 4.12Å; Y329-M333 HydrophobicContact CD1-CE 3.78Å; Y329-M333 HydrophobicContact CD2-CE 4.18Å; Y329-M333 HydrophobicContact CE1-CE 3.24Å; Y329-M333 HydrophobicContact CE2-CE 3.64Å; Y329-M333 HydrophobicContact CG-CE 4.25Å; Y329-M333 WeakPolarHBondContact OH-CE 3.38Å; F330-M333 HydrophobicContact CD1-CE 4.1Å; F330-M333 HydrophobicContact CD1-SD 4.01Å; F330-M333 HydrophobicContact CE1-CE 4.21Å; F330-M333 HydrophobicContact CE1-SD 4.42Å; F330-M333 WeakPolarHBondContact O-CB 3.25Å; F330-M333 PolarHBondContact O-N 3.47Å; R331-M333 PolarHBondContact O-N 3.23Å; M333-Y335 HydrophobicContact CB-CD2 3.73Å; M333-Y335 HydrophobicContact CB-CE2 4Å; M333-Y335 HydrophobicContact SD-CD2 4.18Å; M333-Y335 HydrophobicContact SD-CE2 4.02Å; M333-R393 WeakPolarHBondContact O-CD 3.41Å
334	G	94.3	Very high	95.7	Very high	17 Å²	17	4.9 Å²	4.9	18%	0.175	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	24.7	-174.9	0	0	0	0	0	114	R331 D332 E394	R331-G334 WeakPolarHBondContact O-CA 3.32Å; R331-G334 PolarHBondContact O-N 3.45Å; D332-G334 PolarHBondContact O-N 3.18Å; G334-E394 CarbonylContact C-O 3.58Å; G334-E394 WeakPolarHBondContact CA-O 3.24Å
335	Y	96	Very high	95.4	Very high	22 Å²	22	5 Å²	5	9%	0.086	3%	0.029	C	C	.	.			trans	-91.3	151.7	173.4	-69.2	-60.8	0	0	0	111.9	V155 K156 E263 V264 F330 M333 S396	V155-Y335 HydrophobicContact CG1-CE2 4.05Å; K156-Y335 PolarHBondContact N-OH 3.08Å; K156-Y335 VanDerWaalsContact N-OH 3.11Å; K156-Y335 PolarHBondContact O-OH 3.37Å; E263-Y335 HydrophobicContact CB-CD1 3.91Å; E263-Y335 HydrophobicContact CG-CD1 4.34Å; E263-Y335 VanDerWaalsContact OE2-CA 3.28Å; E263-Y335 WeakPolarHBondContact OE2-CA 3.29Å; E263-Y335 WeakPolarHBondContact OE2-CD1 3.41Å; V264-Y335 HydrophobicContact CG2-CD2 4.5Å; V264-Y335 HydrophobicContact CG2-CG 4.39Å; F330-Y335 HydrophobicContact CD1-CD2 4.47Å; F330-Y335 WeakPolarHBondContact O-CB 3.45Å; F330-Y335 PolarHBondContact O-N 3.19Å; M333-Y335 HydrophobicContact CB-CD2 3.73Å; M333-Y335 HydrophobicContact CB-CE2 4Å; M333-Y335 HydrophobicContact SD-CD2 4.18Å; M333-Y335 HydrophobicContact SD-CE2 4.02Å; Y335-S396 PolarHBondContact O-N 3.5Å
336	N	96.7	Very high	95.2	Very high	40 Å²	40	7.9 Å²	7.9	21%	0.214	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.4	168.7	-64.7	-56.3	0	0	0	109.9	S262 E263 V264 S396	S262-N336 CarbonylContact C-O 3.57Å; S262-N336 WeakPolarHBondContact CA-O 3.49Å; S262-N336 WeakPolarHBondContact CB-O 3.42Å; E263-N336 PolarHBondContact N-O 2.91Å; E263-N336 PolarHBondContact OE2-N 2.92Å; V264-N336 PolarHBondContact N-O 2.81Å; N336-S396 PolarHBondContact OD1-OG 3.31Å
337	V	97.4	Very high	95	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.5	-173.4	-170.8	0	0	0	0	110.4	V264 I266 F330 R331 S396 I397 S398	V264-V337 HydrophobicContact CB-CG1 4.46Å; V264-V337 HydrophobicContact CB-CG2 4.32Å; V264-V337 HydrophobicContact CG1-CG1 4.31Å; V264-V337 WeakPolarHBondContact O-CA 3.17Å; I266-V337 HydrophobicContact CG1-CG1 3.86Å; F330-V337 HydrophobicContact CB-CG2 3.63Å; R331-V337 HydrophobicContact CB-CG2 4.48Å; V337-S396 PolarHBondContact N-O 2.88Å; V337-I397 CarbonylContact O-C 3.57Å; V337-I397 WeakPolarHBondContact O-CA 3.4Å; V337-S398 PolarHBondContact O-N 3.45Å
338	A	96.7	Very high	94.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.3	166.2	0	0	0	0	0	110.4	L256 S262 V264 I265 I266	L256-A338 HydrophobicContact CD2-CB 4.14Å; S262-A338 WeakPolarHBondContact OG-CB 3.4Å; V264-A338 PolarHBondContact O-N 2.93Å; I265-A338 WeakPolarHBondContact CA-O 3.29Å; I265-A338 HydrophobicContact CD1-CB 3.85Å; I266-A338 PolarHBondContact N-O 3.1Å
339	M	96.5	Very high	94.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.1	174.4	-177.8	-176.3	176.5	0	0	110.1	I266 V268 I324 F378 S398 I399 V400	I266-M339 CarbonylContact O-C 3.55Å; I266-M339 VanDerWaalsContact O-CA 3.31Å; I266-M339 WeakPolarHBondContact O-CA 3.41Å; V268-M339 HydrophobicContact CG2-CE 3.75Å; I324-M339 HydrophobicContact CB-CE 4.1Å; I324-M339 HydrophobicContact CB-SD 3.78Å; I324-M339 HydrophobicContact CD1-SD 3.63Å; I324-M339 HydrophobicContact CG1-SD 4.29Å; M339-F378 HydrophobicContact CE-CE2 3.63Å; M339-F378 HydrophobicContact CE-CZ 3.83Å; M339-F378 HydrophobicContact SD-CE2 3.96Å; M339-F378 HydrophobicContact SD-CZ 4.12Å; M339-S398 PolarHBondContact N-O 3.34Å; M339-I399 HydrophobicContact CB-CG1 4.38Å; M339-I399 HydrophobicContact SD-CG1 4.46Å; M339-V400 PolarHBondContact O-N 3.09Å
340	M	94.7	Very high	94.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.9	172.6	-65	158.1	-140.6	0	0	109.2	L256 I265 I266 Y267 V268 V400	L256-M340 HydrophobicContact CB-CE 4.05Å; L256-M340 HydrophobicContact CD2-CE 3.57Å; L256-M340 HydrophobicContact CD2-CG 4.2Å; L256-M340 HydrophobicContact CD2-SD 4.45Å; L256-M340 HydrophobicContact CG-CE 4.28Å; I265-M340 HydrophobicContact CD1-CE 4.16Å; I265-M340 HydrophobicContact CG2-CE 3.43Å; I265-M340 VanDerWaalsContact CG2-CE 3.43Å; I265-M340 HydrophobicContact CG2-SD 4.36Å; I266-M340 PolarHBondContact O-N 3.22Å; Y267-M340 HydrophobicContact CD2-CB 3.69Å; Y267-M340 HydrophobicContact CD2-CG 4.44Å; Y267-M340 HydrophobicContact CD2-SD 3.88Å; Y267-M340 HydrophobicContact CE2-CB 4.31Å; V268-M340 PolarHBondContact N-O 2.68Å; M340-V400 WeakPolarHBondContact CA-O 3.36Å
341	A	93.8	Very high	94.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.008	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	103.1	176.7	0	0	0	0	0	109.9	I320 T344 F378 V400 A402	I320-A341 HydrophobicContact CD1-CB 4.06Å; A341-T344 HydrophobicContact CB-CG2 3.95Å; A341-F378 HydrophobicContact CB-CZ 4.17Å; A341-V400 PolarHBondContact N-O 3.22Å; A341-A402 PolarHBondContact O-N 3.32Å
342	D	91.1	Very high	94.1	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	94.7	-176.3	-162.1	10.5	0	0	0	109.2	Y267 V268 G269 C270 E272 A402	Y267-D342 HydrophobicContact CE2-CB 4.17Å; Y267-D342 PolarHBondContact OH-OD2 3.14Å; V268-D342 PolarHBondContact O-N 3.15Å; G269-D342 CarbonylContact C-O 2.84Å; G269-D342 WeakPolarHBondContact CA-O 3.37Å; C270-D342 PolarHBondContact N-O 2.94Å; E272-D342 WeakPolarHBondContact CG-O 3.25Å; D342-A402 HydrophobicContact CB-CB 4.44Å; D342-A402 WeakPolarHBondContact OD1-CB 3.17Å
343	S	89.1	Confident	93.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	cis	-129.6	146.5	6.5	53.8	0	0	0	0	113.6	C270 E272 S345 R346 W347 A402	C270-S343 PolarHBondContact O-N 2.75Å; E272-S343 WeakPolarHBondContact OE1-CB 3.19Å; E272-S343 PolarHBondContact OE1-N 2.87Å; E272-S343 VanDerWaalsContact OE1-N 3.08Å; E272-S343 PolarHBondContact OE1-OG 3.4Å; S343-S345 VanDerWaalsContact C-N 3.25Å; S343-S345 PolarHBondContact O-N 3.49Å; S343-R346 PolarHBondContact O-N 3.45Å; S343-R346 VanDerWaalsContact OG-CG 3.23Å; S343-R346 WeakPolarHBondContact OG-CG 3.08Å; S343-W347 PolarHBondContact O-N 3.33Å; S343-A402 WeakPolarHBondContact CA-O 3.27Å; S343-A402 WeakPolarHBondContact CB-O 3.49Å
344	T	92.7	Very high	93.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-71	-21.9	178.5	57.4	0	0	0	0	112.5	A341 W347 A348 A402	A341-T344 HydrophobicContact CB-CG2 3.95Å; T344-W347 WeakPolarHBondContact O-CB 3.24Å; T344-W347 PolarHBondContact O-N 3.21Å; T344-A348 PolarHBondContact O-N 3.01Å; T344-A402 PolarHBondContact N-O 2.87Å; T344-A402 PolarHBondContact OG1-O 3.45Å
345	S	92.4	Very high	93.6	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-66.2	-39.6	172.2	-61.8	0	0	0	0	112.7	S343 W347 A348 E349 V403 S404	S343-S345 VanDerWaalsContact C-N 3.25Å; S343-S345 PolarHBondContact O-N 3.49Å; S345-W347 VanDerWaalsContact C-N 3.3Å; S345-W347 PolarHBondContact O-N 3.09Å; S345-A348 PolarHBondContact O-N 3.34Å; S345-E349 WeakPolarHBondContact O-CG 3.22Å; S345-E349 PolarHBondContact O-N 3.1Å; S345-V403 VanDerWaalsContact OG-CG1 3.31Å; S345-V403 WeakPolarHBondContact OG-CG1 3.44Å; S345-S404 PolarHBondContact OG-N 3.26Å
346	R	92.3	Very high	93.5	Very high	61 Å²	61	19.3 Å²	19.3	23%	0.23	10%	0.101	C	C	.	.	H	α-helix	trans	-69.8	-31	177.1	-66	-65.1	174.8	-155.2	-5.8	112.2	F245 C270 S343 E349 A350	F245-R346 VanDerWaalsContact CZ-NH2 3.32Å; C270-R346 VanDerWaalsContact O-CB 3.26Å; C270-R346 WeakPolarHBondContact O-CB 3.28Å; S343-R346 PolarHBondContact O-N 3.45Å; S343-R346 VanDerWaalsContact OG-CG 3.23Å; S343-R346 WeakPolarHBondContact OG-CG 3.08Å; R346-E349 WeakPolarHBondContact CD-OE2 3.31Å; R346-E349 IonicContact CZ-OE1 3.72Å; R346-E349 IonicContact CZ-OE2 3.25Å; R346-E349 IonicContact NE-OE2 2.9Å; R346-E349 IonicContact NH1-OE1 2.74Å; R346-E349 PolarHBondContact NH1-OE1 2.73Å; R346-E349 IonicContact NH1-OE2 3.93Å; R346-E349 PolarHBondContact NH1-OE2 2.9Å; R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 3.42Å
347	W	94.9	Very high	93.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-46.1	168.4	176.8	36.6	0	0	0	111.8	I320 Y321 S343 T344 S345 E349 A350 L351 R374 L375 F378	I320-W347 HydrophobicContact CB-CD2 4.39Å; I320-W347 HydrophobicContact CG1-CB 4.11Å; I320-W347 HydrophobicContact CG1-CD2 4.05Å; I320-W347 HydrophobicContact CG1-CE3 4.31Å; I320-W347 HydrophobicContact CG1-CG 3.95Å; I320-W347 HydrophobicContact CG2-CD2 4.32Å; I320-W347 HydrophobicContact CG2-CE3 4.1Å; I320-W347 HydrophobicContact CG2-CH2 4.36Å; I320-W347 HydrophobicContact CG2-CZ3 4.11Å; Y321-W347 HydrophobicContact CE2-CZ2 4.3Å; Y321-W347 AromaticContact CZ-CZ2 3.99Å; S343-W347 PolarHBondContact O-N 3.33Å; T344-W347 WeakPolarHBondContact O-CB 3.24Å; T344-W347 PolarHBondContact O-N 3.21Å; S345-W347 VanDerWaalsContact C-N 3.3Å; S345-W347 PolarHBondContact O-N 3.09Å; W347-E349 VanDerWaalsContact C-N 3.34Å; W347-E349 PolarHBondContact O-N 3.31Å; W347-A350 WeakPolarHBondContact O-CB 3.43Å; W347-A350 PolarHBondContact O-N 3.3Å; W347-A350 VanDerWaalsContact O-N 3.09Å; W347-L351 HydrophobicContact CZ2-CD1 4.33Å; W347-L351 PolarHBondContact O-N 2.82Å; W347-R374 HydrophobicContact CH2-CB 4.34Å; W347-R374 HydrophobicContact CZ2-CB 4.33Å; W347-L375 HydrophobicContact CE3-CD2 4.06Å; W347-L375 HydrophobicContact CZ3-CD2 3.77Å; W347-F378 HydrophobicContact CH2-CB 3.77Å; W347-F378 HydrophobicContact CH2-CG 4.24Å; W347-F378 HydrophobicContact CZ3-CB 3.91Å; W347-F378 HydrophobicContact CZ3-CD1 4.06Å; W347-F378 AromaticContact CZ3-CG 3.98Å; W347-F378 HydrophobicContact CZ3-CG 3.98Å
348	A	94.3	Very high	92.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-39.6	176.3	0	0	0	0	0	112.8	T344 S345 A350 L351 R352 Y367 L371 V414	T344-A348 PolarHBondContact O-N 3.01Å; S345-A348 PolarHBondContact O-N 3.34Å; A348-A350 VanDerWaalsContact C-N 3.31Å; A348-A350 PolarHBondContact O-N 2.9Å; A348-L351 PolarHBondContact O-N 3.5Å; A348-R352 PolarHBondContact O-N 3.44Å; A348-Y367 HydrophobicContact CB-CD1 4.38Å; A348-Y367 HydrophobicContact CB-CE1 3.89Å; A348-L371 HydrophobicContact CB-CD1 3.66Å; A348-V414 HydrophobicContact CB-CB 4.4Å; A348-V414 HydrophobicContact CB-CG1 3.97Å; A348-V414 HydrophobicContact CB-CG2 3.49Å; A348-V414 VanDerWaalsContact CB-CG2 3.49Å
349	E	92.7	Very high	92.4	Very high	49 Å²	49	31.8 Å²	31.8	23%	0.229	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-38.2	172.2	-73.2	176.8	178.8	0	0	112.1	S345 R346 W347 R352 E353	S345-E349 WeakPolarHBondContact O-CG 3.22Å; S345-E349 PolarHBondContact O-N 3.1Å; R346-E349 WeakPolarHBondContact CD-OE2 3.31Å; R346-E349 IonicContact CZ-OE1 3.72Å; R346-E349 IonicContact CZ-OE2 3.25Å; R346-E349 IonicContact NE-OE2 2.9Å; R346-E349 IonicContact NH1-OE1 2.74Å; R346-E349 PolarHBondContact NH1-OE1 2.73Å; R346-E349 IonicContact NH1-OE2 3.93Å; R346-E349 PolarHBondContact NH1-OE2 2.9Å; W347-E349 VanDerWaalsContact C-N 3.34Å; W347-E349 PolarHBondContact O-N 3.31Å; E349-R352 WeakPolarHBondContact O-CB 3.37Å; E349-R352 PolarHBondContact O-N 2.95Å; E349-E353 PolarHBondContact O-N 3.47Å
350	A	92.7	Very high	92.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-44.1	175.3	0	0	0	0	0	111.5	V313 R316 R346 W347 A348 R352 E353 I354	V313-A350 VanDerWaalsContact CG1-CA 3.48Å; V313-A350 HydrophobicContact CG1-CB 3.5Å; R316-A350 HydrophobicContact CB-CB 3.95Å; R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 3.42Å; W347-A350 WeakPolarHBondContact O-CB 3.43Å; W347-A350 PolarHBondContact O-N 3.3Å; W347-A350 VanDerWaalsContact O-N 3.09Å; A348-A350 VanDerWaalsContact C-N 3.31Å; A348-A350 PolarHBondContact O-N 2.9Å; A350-R352 VanDerWaalsContact C-N 3.29Å; A350-R352 PolarHBondContact O-N 2.88Å; A350-E353 PolarHBondContact O-N 2.69Å; A350-I354 WeakPolarHBondContact O-CD1 3.44Å; A350-I354 VanDerWaalsContact O-CG1 3.24Å; A350-I354 WeakPolarHBondContact O-CG1 3.26Å; A350-I354 PolarHBondContact O-N 3.01Å
351	L	93.4	Very high	92.1	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-39.8	174.3	-66.9	176.5	0	0	0	111.9	E317 W347 A348 I354 S355 P368 L371 R374	E317-L351 HydrophobicContact CG-CD2 4.23Å; W347-L351 HydrophobicContact CZ2-CD1 4.33Å; W347-L351 PolarHBondContact O-N 2.82Å; A348-L351 PolarHBondContact O-N 3.5Å; L351-I354 PolarHBondContact O-N 3.21Å; L351-S355 WeakPolarHBondContact O-CB 3.48Å; L351-S355 PolarHBondContact O-N 3.08Å; L351-S355 PolarHBondContact O-OG 2.7Å; L351-P368 HydrophobicContact CB-CG 4.27Å; L351-L371 HydrophobicContact CD1-CD1 4.22Å; L351-R374 HydrophobicContact CD1-CB 4.12Å; L351-R374 HydrophobicContact CD1-CG 4.24Å
352	R	94.1	Very high	92.1	Very high	96 Å²	96	48 Å²	48	36%	0.362	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-41	174.5	172.3	172.3	76.8	179.9	0.7	112.8	A348 E349 A350 S355 G356 S365 G366 Y367	A348-R352 PolarHBondContact O-N 3.44Å; E349-R352 WeakPolarHBondContact O-CB 3.37Å; E349-R352 PolarHBondContact O-N 2.95Å; A350-R352 VanDerWaalsContact C-N 3.29Å; A350-R352 PolarHBondContact O-N 2.88Å; R352-S355 PolarHBondContact O-OG 3.16Å; R352-G356 PolarHBondContact O-N 3.49Å; R352-S365 PolarHBondContact NH1-O 3.2Å; R352-G366 VanDerWaalsContact CG-O 3.28Å; R352-G366 WeakPolarHBondContact CG-O 3.16Å; R352-Y367 HydrophobicContact CB-CD1 3.88Å; R352-Y367 HydrophobicContact CB-CE1 4.3Å
353	E	91.8	Very high	92.2	Very high	76 Å²	76	50.3 Å²	50.3	36%	0.355	27%	0.272	S	S	.	.	H	α-helix	trans	-70.7	-40.9	178.4	-173.9	178	158	0	0	111.6	V313 E349 A350 G356 R357	V313-E353 HydrophobicContact CG1-CB 4.12Å; V313-E353 HydrophobicContact CG1-CG 4.48Å; V313-E353 VanDerWaalsContact CG2-OE2 3.28Å; V313-E353 WeakPolarHBondContact CG2-OE2 3.28Å; E349-E353 PolarHBondContact O-N 3.47Å; A350-E353 PolarHBondContact O-N 2.69Å; E353-G356 PolarHBondContact O-N 3.39Å; E353-R357 WeakPolarHBondContact O-CG 3.33Å; E353-R357 PolarHBondContact O-N 3.26Å; E353-R357 IonicContact OE1-CZ 2.74Å; E353-R357 IonicContact OE1-NE 2.74Å; E353-R357 PolarHBondContact OE1-NE 3.25Å; E353-R357 IonicContact OE1-NH2 3.82Å; E353-R357 PolarHBondContact OE1-NH2 2.87Å
354	I	90.4	Very high	92.2	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-47.5	176.5	-64.7	158.1	0	0	0	110.3	V313 E317 A350 L351 G356 R357 L358	V313-I354 HydrophobicContact CG1-CG1 4.32Å; E317-I354 WeakPolarHBondContact OE2-CD1 3.4Å; A350-I354 WeakPolarHBondContact O-CD1 3.44Å; A350-I354 VanDerWaalsContact O-CG1 3.24Å; A350-I354 WeakPolarHBondContact O-CG1 3.26Å; A350-I354 PolarHBondContact O-N 3.01Å; L351-I354 PolarHBondContact O-N 3.21Å; I354-G356 VanDerWaalsContact C-N 3.32Å; I354-G356 PolarHBondContact O-N 3.38Å; I354-R357 PolarHBondContact O-N 3.31Å; I354-L358 HydrophobicContact CG2-CD1 3.99Å; I354-L358 WeakPolarHBondContact O-CG 3.47Å; I354-L358 PolarHBondContact O-N 3.46Å
355	S	92.4	Very high	92	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.028	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-39.3	177.6	66.8	0	0	0	0	112.1	L351 R352 R357 L358 G359 E360	L351-S355 WeakPolarHBondContact O-CB 3.48Å; L351-S355 PolarHBondContact O-N 3.08Å; L351-S355 PolarHBondContact O-OG 2.7Å; R352-S355 PolarHBondContact O-OG 3.16Å; S355-R357 PolarHBondContact O-N 2.95Å; S355-L358 PolarHBondContact O-N 3.02Å; S355-G359 PolarHBondContact O-N 2.96Å; S355-E360 VanDerWaalsContact CB-OE2 3.27Å; S355-E360 WeakPolarHBondContact CB-OE2 3.38Å; S355-E360 PolarHBondContact O-N 2.95Å; S355-E360 VanDerWaalsContact O-N 3.09Å
356	G	92.6	Very high	92	Very high	53 Å²	53	61.4 Å²	61.4	55%	0.546	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-42	174.9	0	0	0	0	0	112.8	R352 E353 I354 L358 G359	R352-G356 PolarHBondContact O-N 3.49Å; E353-G356 PolarHBondContact O-N 3.39Å; I354-G356 VanDerWaalsContact C-N 3.32Å; I354-G356 PolarHBondContact O-N 3.38Å; G356-L358 VanDerWaalsContact C-N 3.29Å; G356-L358 PolarHBondContact O-N 3.47Å; G356-G359 PolarHBondContact O-N 3.44Å
357	R	88.8	Confident	92.1	Very high	193 Å²	193	59.1 Å²	59.1	73%	0.728	34%	0.336	S	S	*	.	H	α-helix	trans	-67.5	-29.4	175.4	-70.8	-178.8	-173.8	-157.7	3.5	112.9	E353 I354 S355 G359	E353-R357 WeakPolarHBondContact O-CG 3.33Å; E353-R357 PolarHBondContact O-N 3.26Å; E353-R357 IonicContact OE1-CZ 2.74Å; E353-R357 IonicContact OE1-NE 2.74Å; E353-R357 PolarHBondContact OE1-NE 3.25Å; E353-R357 IonicContact OE1-NH2 3.82Å; E353-R357 PolarHBondContact OE1-NH2 2.87Å; I354-R357 PolarHBondContact O-N 3.31Å; S355-R357 PolarHBondContact O-N 2.95Å; R357-G359 VanDerWaalsContact C-N 3.26Å
358	L	88.8	Confident	92.1	Very high	43 Å²	43	59.3 Å²	59.3	23%	0.225	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.1	176.1	-70.4	167.9	0	0	0	113.8	I22 T30 I354 S355 G356 E360	I22-L358 HydrophobicContact CD1-CD1 3.91Å; I22-L358 HydrophobicContact CD1-CD2 3.35Å; I22-L358 HydrophobicContact CD1-CG 4.05Å; I22-L358 HydrophobicContact CG1-CD2 4.34Å; T30-L358 HydrophobicContact CG2-CD2 4.21Å; I354-L358 HydrophobicContact CG2-CD1 3.99Å; I354-L358 WeakPolarHBondContact O-CG 3.47Å; I354-L358 PolarHBondContact O-N 3.46Å; S355-L358 PolarHBondContact O-N 3.02Å; G356-L358 VanDerWaalsContact C-N 3.29Å; G356-L358 PolarHBondContact O-N 3.47Å; L358-E360 VanDerWaalsContact C-N 3.26Å; L358-E360 HydrophobicContact CB-CG 3.98Å; L358-E360 PolarHBondContact O-N 3.5Å
359	G	90.1	Very high	92.1	Very high	65 Å²	65	63.5 Å²	63.5	67%	0.67	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	25.3	-176.2	0	0	0	0	0	113	S355 G356 R357	S355-G359 PolarHBondContact O-N 2.96Å; G356-G359 PolarHBondContact O-N 3.44Å; R357-G359 VanDerWaalsContact C-N 3.26Å
360	E	91.4	Very high	92.1	Very high	81 Å²	81	64.3 Å²	64.3	38%	0.379	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-73.6	146.6	175.1	-65.6	180	163.6	0	0	110.7	S355 L358 P362 Y370	S355-E360 VanDerWaalsContact CB-OE2 3.27Å; S355-E360 WeakPolarHBondContact CB-OE2 3.38Å; S355-E360 PolarHBondContact O-N 2.95Å; S355-E360 VanDerWaalsContact O-N 3.09Å; L358-E360 VanDerWaalsContact C-N 3.26Å; L358-E360 HydrophobicContact CB-CG 3.98Å; L358-E360 PolarHBondContact O-N 3.5Å; E360-P362 WeakPolarHBondContact O-CD 3.42Å; E360-Y370 VanDerWaalsContact OE2-CE1 3.25Å; E360-Y370 WeakPolarHBondContact OE2-CE1 3.33Å; E360-Y370 PolarHBondContact OE2-OH 3.33Å
361	M	94.6	Very high	92.2	Very high	174 Å²	174	64.8 Å²	64.8	86%	0.857	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-67.9	124.4	177.6	-68.9	-173.8	-68.7	0	0	110.1
362	P	94.5	Very high	92.2	Very high	87 Å²	87	67.1 Å²	67.1	57%	0.565	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-72.4	151.4	175.9	29.6	-33.6	0	0	0	111.2	E360	E360-P362 WeakPolarHBondContact O-CD 3.42Å
363	A	92.4	Very high	92.3	Very high	51 Å²	51	65.6 Å²	65.6	42%	0.421	40%	0.404	S	S	.	.			trans	-96.8	-139.5	165.2	0	0	0	0	0	109.3	G366 Y367	A363-G366 PolarHBondContact O-N 3.34Å; A363-Y367 PolarHBondContact N-O 2.97Å
364	D	90.1	Very high	92.4	Very high	125 Å²	125	64.7 Å²	64.7	67%	0.668	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-63.2	135.4	-176.7	-60.2	-34.1	0	0	0	112.5	G366 Y367 P413	D364-G366 PolarHBondContact O-N 3.18Å; D364-Y367 WeakPolarHBondContact O-CD2 3.49Å; D364-Y367 PolarHBondContact O-N 2.99Å; D364-Y367 VanDerWaalsContact O-N 3.07Å; D364-P413 HydrophobicContact CB-CG 3.97Å
365	S	88	Confident	92.6	Very high	84 Å²	84	63.9 Å²	63.9	59%	0.587	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	52.5	23.9	178.3	-54.2	0	0	0	0	115.4	R352	R352-S365 PolarHBondContact NH1-O 3.2Å
366	G	92.3	Very high	92.8	Very high	28 Å²	28	65.2 Å²	65.2	29%	0.289	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	88.3	-5.8	179.2	0	0	0	0	0	115.1	R352 A363 D364	R352-G366 VanDerWaalsContact CG-O 3.28Å; R352-G366 WeakPolarHBondContact CG-O 3.16Å; A363-G366 PolarHBondContact O-N 3.34Å; D364-G366 PolarHBondContact O-N 3.18Å
367	Y	94.1	Very high	92.9	Very high	12 Å²	12	65.4 Å²	65.4	5%	0.047	40%	0.397	C	S	.	.			trans	-71.3	153.9	-179.6	-67.5	-74.7	0	0	0	112.1	A348 R352 A363 D364 L371 P413 V414	A348-Y367 HydrophobicContact CB-CD1 4.38Å; A348-Y367 HydrophobicContact CB-CE1 3.89Å; R352-Y367 HydrophobicContact CB-CD1 3.88Å; R352-Y367 HydrophobicContact CB-CE1 4.3Å; A363-Y367 PolarHBondContact N-O 2.97Å; D364-Y367 WeakPolarHBondContact O-CD2 3.49Å; D364-Y367 PolarHBondContact O-N 2.99Å; D364-Y367 VanDerWaalsContact O-N 3.07Å; Y367-L371 HydrophobicContact CD1-CD2 3.89Å; Y367-L371 HydrophobicContact CD2-CD2 4.26Å; Y367-L371 HydrophobicContact CG-CD2 3.74Å; Y367-P413 HydrophobicContact CD2-CB 3.82Å; Y367-P413 HydrophobicContact CD2-CG 3.92Å; Y367-P413 HydrophobicContact CE2-CB 4.12Å; Y367-P413 HydrophobicContact CE2-CG 4.11Å; Y367-V414 HydrophobicContact CE1-CG2 3.83Å; Y367-V414 HydrophobicContact CE2-CG2 4Å; Y367-V414 VanDerWaalsContact CZ-CG2 3.48Å; Y367-V414 WeakPolarHBondContact OH-CG2 3.47Å
368	P	94	Very high	93.3	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.032	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-70.7	152.7	176.1	28.2	-33.9	0	0	0	111.7	L351 Y370 L371	L351-P368 HydrophobicContact CB-CG 4.27Å; P368-Y370 HydrophobicContact CB-CD1 3.98Å; P368-Y370 HydrophobicContact CB-CD2 4.1Å; P368-Y370 HydrophobicContact CB-CE1 3.61Å; P368-Y370 HydrophobicContact CB-CE2 3.74Å; P368-Y370 HydrophobicContact CB-CG 4.21Å; P368-Y370 VanDerWaalsContact CB-CZ 3.47Å; P368-Y370 HydrophobicContact CG-CD2 3.97Å; P368-Y370 HydrophobicContact CG-CE1 4.33Å; P368-Y370 HydrophobicContact CG-CE2 3.5Å; P368-Y370 PolarHBondContact O-N 3.02Å; P368-Y370 VanDerWaalsContact O-N 3.11Å; P368-L371 WeakPolarHBondContact O-CB 3.16Å; P368-L371 PolarHBondContact O-N 2.98Å
369	A	94.2	Very high	93.6	Very high	88 Å²	88	54.2 Å²	54.2	73%	0.727	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.4	178.3	0	0	0	0	0	113.6
370	Y	93.8	Very high	93.9	Very high	66 Å²	66	56.4 Å²	56.4	26%	0.259	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5.5	179	57.6	-108	0	0	0	114.5	E360 P368 A372 A373 R374	E360-Y370 VanDerWaalsContact OE2-CE1 3.25Å; E360-Y370 WeakPolarHBondContact OE2-CE1 3.33Å; E360-Y370 PolarHBondContact OE2-OH 3.33Å; P368-Y370 HydrophobicContact CB-CD1 3.98Å; P368-Y370 HydrophobicContact CB-CD2 4.1Å; P368-Y370 HydrophobicContact CB-CE1 3.61Å; P368-Y370 HydrophobicContact CB-CE2 3.74Å; P368-Y370 HydrophobicContact CB-CG 4.21Å; P368-Y370 VanDerWaalsContact CB-CZ 3.47Å; P368-Y370 HydrophobicContact CG-CD2 3.97Å; P368-Y370 HydrophobicContact CG-CE1 4.33Å; P368-Y370 HydrophobicContact CG-CE2 3.5Å; P368-Y370 PolarHBondContact O-N 3.02Å; P368-Y370 VanDerWaalsContact O-N 3.11Å; Y370-A372 PolarHBondContact O-N 3.4Å; Y370-A373 PolarHBondContact O-N 3.28Å; Y370-R374 HydrophobicContact CD2-CG 3.72Å; Y370-R374 HydrophobicContact CE2-CG 4.36Å; Y370-R374 WeakPolarHBondContact O-CG 3.41Å; Y370-R374 PolarHBondContact O-N 3.01Å
371	L	94.3	Very high	94.1	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-54	-50.6	-179.6	174.4	64.7	0	0	0	111.9	A348 L351 Y367 P368 A373 R374 L375 V414	A348-L371 HydrophobicContact CB-CD1 3.66Å; L351-L371 HydrophobicContact CD1-CD1 4.22Å; Y367-L371 HydrophobicContact CD1-CD2 3.89Å; Y367-L371 HydrophobicContact CD2-CD2 4.26Å; Y367-L371 HydrophobicContact CG-CD2 3.74Å; P368-L371 WeakPolarHBondContact O-CB 3.16Å; P368-L371 PolarHBondContact O-N 2.98Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.49Å; L371-R374 PolarHBondContact O-N 2.91Å; L371-L375 HydrophobicContact CD1-CD1 4.14Å; L371-L375 HydrophobicContact CD1-CG 4.27Å; L371-L375 HydrophobicContact CG-CD1 4.14Å; L371-L375 WeakPolarHBondContact O-CG 3.43Å; L371-L375 PolarHBondContact O-N 2.96Å; L371-V414 HydrophobicContact CD2-CG2 4.27Å
372	A	94.1	Very high	94.2	Very high	52 Å²	52	45.6 Å²	45.6	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-39.2	-179.1	0	0	0	0	0	112	Y370 L375 A376 A417	Y370-A372 PolarHBondContact O-N 3.4Å; A372-L375 PolarHBondContact O-N 2.85Å; A372-A376 VanDerWaalsContact O-CB 3.29Å; A372-A376 WeakPolarHBondContact O-CB 3.27Å; A372-A376 PolarHBondContact O-N 2.88Å; A372-A417 HydrophobicContact CB-CB 4.28Å
373	A	95.2	Very high	94.3	Very high	64 Å²	64	42.1 Å²	42.1	53%	0.529	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-39.9	176.5	0	0	0	0	0	112	Y370 L371 A376 S377	Y370-A373 PolarHBondContact O-N 3.28Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.49Å; A373-A376 PolarHBondContact O-N 3.09Å; A373-S377 WeakPolarHBondContact O-CB 3.39Å; A373-S377 PolarHBondContact O-N 3.42Å; A373-S377 PolarHBondContact O-OG 3.47Å
374	R	93.8	Very high	94.5	Very high	58 Å²	58	42.4 Å²	42.4	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-47.7	176	-69.9	-70.6	-177.2	177.6	0.1	111.4	Y7 Y321 W347 L351 Y370 L371 A376 S377 F378	Y7-R374 PolarHBondContact OH-NH2 3.17Å; Y321-R374 WeakPolarHBondContact OH-CD 3.39Å; Y321-R374 PolarHBondContact OH-NH1 3.49Å; W347-R374 HydrophobicContact CH2-CB 4.34Å; W347-R374 HydrophobicContact CZ2-CB 4.33Å; L351-R374 HydrophobicContact CD1-CB 4.12Å; L351-R374 HydrophobicContact CD1-CG 4.24Å; Y370-R374 HydrophobicContact CD2-CG 3.72Å; Y370-R374 HydrophobicContact CE2-CG 4.36Å; Y370-R374 WeakPolarHBondContact O-CG 3.41Å; Y370-R374 PolarHBondContact O-N 3.01Å; L371-R374 PolarHBondContact O-N 2.91Å; R374-A376 VanDerWaalsContact C-N 3.35Å; R374-A376 PolarHBondContact O-N 3Å; R374-S377 PolarHBondContact O-N 3.22Å; R374-S377 PolarHBondContact O-OG 2.63Å; R374-F378 PolarHBondContact O-N 3.43Å; R374-F378 VanDerWaalsContact O-N 3.1Å
375	L	95.4	Very high	94.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-45.4	175.4	-68.7	173.4	0	0	0	111.2	W347 L371 A372 S377 F378 Y379 V414 A417 I421	W347-L375 HydrophobicContact CE3-CD2 4.06Å; W347-L375 HydrophobicContact CZ3-CD2 3.77Å; L371-L375 HydrophobicContact CD1-CD1 4.14Å; L371-L375 HydrophobicContact CD1-CG 4.27Å; L371-L375 HydrophobicContact CG-CD1 4.14Å; L371-L375 WeakPolarHBondContact O-CG 3.43Å; L371-L375 PolarHBondContact O-N 2.96Å; A372-L375 PolarHBondContact O-N 2.85Å; L375-S377 PolarHBondContact O-N 2.82Å; L375-F378 PolarHBondContact O-N 3.09Å; L375-Y379 VanDerWaalsContact O-CD2 3.29Å; L375-Y379 WeakPolarHBondContact O-CD2 3.38Å; L375-Y379 PolarHBondContact O-N 2.93Å; L375-V414 HydrophobicContact CD1-CG1 4.41Å; L375-A417 HydrophobicContact CD1-CB 3.72Å; L375-I421 HydrophobicContact CB-CD1 3.62Å
376	A	95.6	Very high	95.2	Very high	31 Å²	31	35.2 Å²	35.2	26%	0.256	22%	0.215	S	C	.	.	H	α-helix	trans	-61.3	-47.5	178.5	0	0	0	0	0	111.4	A372 A373 R374 F378 Y379 E380 I421	A372-A376 VanDerWaalsContact O-CB 3.29Å; A372-A376 WeakPolarHBondContact O-CB 3.27Å; A372-A376 PolarHBondContact O-N 2.88Å; A373-A376 PolarHBondContact O-N 3.09Å; R374-A376 VanDerWaalsContact C-N 3.35Å; R374-A376 PolarHBondContact O-N 3Å; A376-F378 PolarHBondContact O-N 3.22Å; A376-Y379 PolarHBondContact O-N 2.84Å; A376-E380 VanDerWaalsContact O-CB 3.24Å; A376-E380 WeakPolarHBondContact O-CB 3.47Å; A376-E380 VanDerWaalsContact O-CG 3.32Å; A376-E380 WeakPolarHBondContact O-CG 3.29Å; A376-E380 PolarHBondContact O-N 3.18Å; A376-I421 HydrophobicContact CB-CD1 3.97Å; A376-I421 HydrophobicContact CB-CG1 4.21Å
377	S	95.5	Very high	95.3	Very high	58 Å²	58	34 Å²	34	41%	0.406	20%	0.203	S	C	.	.	H	α-helix	trans	-60.2	-28.1	177.8	73.9	0	0	0	0	113.5	A373 R374 L375 R381	A373-S377 WeakPolarHBondContact O-CB 3.39Å; A373-S377 PolarHBondContact O-N 3.42Å; A373-S377 PolarHBondContact O-OG 3.47Å; R374-S377 PolarHBondContact O-N 3.22Å; R374-S377 PolarHBondContact O-OG 2.63Å; L375-S377 PolarHBondContact O-N 2.82Å; S377-R381 WeakPolarHBondContact O-CG 3.34Å
378	F	96.4	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-79.1	-52.5	176.6	165.6	-107.4	0	0	0	111.6	I320 I324 M339 A341 W347 R374 L375 A376 E380 R381 I399	I320-F378 HydrophobicContact CG2-CD2 3.54Å; I320-F378 HydrophobicContact CG2-CE2 3.46Å; I320-F378 VanDerWaalsContact CG2-CE2 3.46Å; I320-F378 HydrophobicContact CG2-CG 4.18Å; I320-F378 HydrophobicContact CG2-CZ 4.04Å; I324-F378 HydrophobicContact CB-CD2 4.34Å; I324-F378 HydrophobicContact CB-CE2 4.04Å; I324-F378 HydrophobicContact CG1-CD2 4.49Å; I324-F378 HydrophobicContact CG1-CE2 4.39Å; I324-F378 HydrophobicContact CG2-CD2 4.44Å; M339-F378 HydrophobicContact CE-CE2 3.63Å; M339-F378 HydrophobicContact CE-CZ 3.83Å; M339-F378 HydrophobicContact SD-CE2 3.96Å; M339-F378 HydrophobicContact SD-CZ 4.12Å; A341-F378 HydrophobicContact CB-CZ 4.17Å; W347-F378 HydrophobicContact CH2-CB 3.77Å; W347-F378 HydrophobicContact CH2-CG 4.24Å; W347-F378 HydrophobicContact CZ3-CB 3.91Å; W347-F378 HydrophobicContact CZ3-CD1 4.06Å; W347-F378 AromaticContact CZ3-CG 3.98Å; W347-F378 HydrophobicContact CZ3-CG 3.98Å; R374-F378 PolarHBondContact O-N 3.43Å; R374-F378 VanDerWaalsContact O-N 3.1Å; L375-F378 PolarHBondContact O-N 3.09Å; A376-F378 PolarHBondContact O-N 3.22Å; F378-E380 VanDerWaalsContact C-N 3.33Å; F378-E380 PolarHBondContact O-N 3.2Å; F378-R381 WeakPolarHBondContact O-CB 3.27Å; F378-R381 PolarHBondContact O-N 3.23Å; F378-I399 HydrophobicContact CE1-CD1 4.46Å; F378-I399 HydrophobicContact CE1-CG2 3.8Å; F378-I399 HydrophobicContact CE2-CD1 4.33Å; F378-I399 HydrophobicContact CZ-CD1 4.17Å; F378-I399 HydrophobicContact CZ-CG2 3.81Å
379	Y	96.4	Very high	95	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-31.7	-178	-79.7	-73.6	0	0	0	112.9	T238 L375 A376 R381 A382 I399 T418 I421 V422	T238-Y379 HydrophobicContact CG2-CD1 4.13Å; T238-Y379 WeakPolarHBondContact CG2-O 3.44Å; L375-Y379 VanDerWaalsContact O-CD2 3.29Å; L375-Y379 WeakPolarHBondContact O-CD2 3.38Å; L375-Y379 PolarHBondContact O-N 2.93Å; A376-Y379 PolarHBondContact O-N 2.84Å; Y379-R381 PolarHBondContact O-N 3.09Å; Y379-A382 WeakPolarHBondContact O-CB 3.3Å; Y379-A382 PolarHBondContact O-N 3.11Å; Y379-A382 VanDerWaalsContact O-N 3.1Å; Y379-I399 HydrophobicContact CD1-CB 4.38Å; Y379-I399 HydrophobicContact CD1-CG2 3.82Å; Y379-I399 HydrophobicContact CE1-CG2 3.72Å; Y379-T418 HydrophobicContact CE2-CG2 4.05Å; Y379-I421 HydrophobicContact CD2-CG2 4.17Å; Y379-I421 HydrophobicContact CG-CG2 4.1Å; Y379-V422 HydrophobicContact CD1-CG1 3.89Å; Y379-V422 HydrophobicContact CD2-CG1 4.45Å; Y379-V422 HydrophobicContact CE1-CG1 3.66Å; Y379-V422 HydrophobicContact CE2-CG1 4.28Å; Y379-V422 HydrophobicContact CG-CG1 4.29Å
380	E	95.5	Very high	94.6	Very high	110 Å²	110	35.5 Å²	35.5	51%	0.514	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7	177.9	-75.5	-63.4	144.1	0	0	114.6	K213 A376 F378 A382	K213-E380 PolarHBondContact NZ-O 3.05Å; K213-E380 IonicContact NZ-OE2 3.17Å; A376-E380 VanDerWaalsContact O-CB 3.24Å; A376-E380 WeakPolarHBondContact O-CB 3.47Å; A376-E380 VanDerWaalsContact O-CG 3.32Å; A376-E380 WeakPolarHBondContact O-CG 3.29Å; A376-E380 PolarHBondContact O-N 3.18Å; F378-E380 VanDerWaalsContact C-N 3.33Å; F378-E380 PolarHBondContact O-N 3.2Å; E380-A382 VanDerWaalsContact C-N 3.27Å
381	R	96.6	Very high	94.4	Very high	20 Å²	20	34.6 Å²	34.6	8%	0.075	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.1	168.4	-70	174.1	74.7	170.8	-1.1	112	V204 P207 I324 T325 E328 S377 F378 Y379	V204-R381 PolarHBondContact O-NH1 3.46Å; P207-R381 HydrophobicContact CB-CG 4.19Å; I324-R381 HydrophobicContact CD1-CB 4.02Å; I324-R381 HydrophobicContact CG1-CB 3.8Å; I324-R381 HydrophobicContact CG1-CG 4.46Å; I324-R381 VanDerWaalsContact CG2-CZ 3.41Å; I324-R381 VanDerWaalsContact CG2-NH1 3.27Å; T325-R381 PolarHBondContact OG1-NH2 3.49Å; E328-R381 WeakPolarHBondContact OE1-CB 3.44Å; E328-R381 IonicContact OE1-CZ 2.7Å; E328-R381 IonicContact OE1-NE 2.78Å; E328-R381 PolarHBondContact OE1-NE 3.33Å; E328-R381 IonicContact OE1-NH2 2.89Å; E328-R381 PolarHBondContact OE1-NH2 3.22Å; E328-R381 IonicContact OE2-CZ 2.87Å; E328-R381 IonicContact OE2-NE 3.81Å; E328-R381 IonicContact OE2-NH2 2.69Å; E328-R381 PolarHBondContact OE2-NH2 3.06Å; S377-R381 WeakPolarHBondContact O-CG 3.34Å; F378-R381 WeakPolarHBondContact O-CB 3.27Å; F378-R381 PolarHBondContact O-N 3.23Å; Y379-R381 PolarHBondContact O-N 3.09Å
382	A	95.8	Very high	94.2	Very high	9 Å²	9	41 Å²	41	7%	0.074	24%	0.235	C	C	.	.			trans	-67	160.1	169	0	0	0	0	0	111.6	T238 Y379 E380 I397 I399	T238-A382 HydrophobicContact CG2-CB 3.67Å; Y379-A382 WeakPolarHBondContact O-CB 3.3Å; Y379-A382 PolarHBondContact O-N 3.11Å; Y379-A382 VanDerWaalsContact O-N 3.1Å; E380-A382 VanDerWaalsContact C-N 3.27Å; A382-I397 WeakPolarHBondContact CB-O 3.3Å; A382-I399 HydrophobicContact CB-CB 4.26Å; A382-I399 HydrophobicContact CB-CD1 3.67Å; A382-I399 HydrophobicContact CB-CG1 3.72Å
383	G	95.9	Very high	94.2	Very high	14 Å²	14	39.4 Å²	39.4	14%	0.144	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.5	160.7	176.2	0	0	0	0	0	112.8	G236 S396 I397	G236-G383 VanDerWaalsContact O-CA 3.24Å; G236-G383 WeakPolarHBondContact O-CA 3.36Å; G236-G383 PolarHBondContact O-N 3.41Å; G383-S396 WeakPolarHBondContact O-CA 3.11Å; G383-I397 PolarHBondContact N-O 3.34Å; G383-I397 VanDerWaalsContact N-O 3.12Å; G383-I397 PolarHBondContact O-N 3.5Å
384	R	97	Very high	94.2	Very high	57 Å²	57	40.9 Å²	40.9	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.9	163.2	-177.1	-176.4	171.6	173.8	0.7	108.6	L214 N217 E394 G395	L214-R384 HydrophobicContact CB-CG 4.2Å; L214-R384 PolarHBondContact N-O 2.93Å; N217-R384 PolarHBondContact OD1-NH1 3.44Å; R384-E394 IonicContact CZ-OE2 2.79Å; R384-E394 VanDerWaalsContact CZ-OE2 3.26Å; R384-E394 IonicContact NE-OE2 3.64Å; R384-E394 PolarHBondContact NE-OE2 2.78Å; R384-E394 VanDerWaalsContact NE-OE2 3.1Å; R384-E394 IonicContact NH2-OE2 3.8Å; R384-E394 PolarHBondContact NH2-OE2 2.69Å; R384-G395 WeakPolarHBondContact CA-O 3.4Å
385	T	96.6	Very high	94.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147	-175.9	63.1	0	0	0	0	111.3	V210 E212 K213 R331 C387 G395	V210-T385 HydrophobicContact CB-CG2 4.37Å; V210-T385 HydrophobicContact CG1-CG2 4.12Å; V210-T385 HydrophobicContact CG2-CG2 4.23Å; E212-T385 CarbonylContact O-C 3.58Å; E212-T385 VanDerWaalsContact O-CA 3.3Å; E212-T385 WeakPolarHBondContact O-CA 3.2Å; E212-T385 WeakPolarHBondContact O-CB 3.44Å; K213-T385 HydrophobicContact CG-CG2 4.12Å; R331-T385 WeakPolarHBondContact CD-OG1 3.32Å; T385-C387 PolarHBondContact O-N 3.18Å; T385-G395 PolarHBondContact N-O 3.35Å; T385-G395 PolarHBondContact O-N 3.11Å; T385-G395 VanDerWaalsContact O-N 3.08Å
386	K	96.8	Very high	94.4	Very high	55 Å²	55	38.1 Å²	38.1	24%	0.239	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.5	161.6	-169.2	170.9	-179.3	173.3	0	108.1	A211 E212 L214 E392	A211-K386 HydrophobicContact CB-CB 4.37Å; A211-K386 HydrophobicContact CB-CG 4.38Å; A211-K386 WeakPolarHBondContact CB-O 3.44Å; A211-K386 PolarHBondContact N-O 2.82Å; E212-K386 HydrophobicContact CB-CB 4.28Å; E212-K386 PolarHBondContact O-N 3.02Å; L214-K386 HydrophobicContact CD1-CB 4.31Å; K386-E392 WeakPolarHBondContact CE-OE1 3.49Å; K386-E392 IonicContact NZ-OE1 3.44Å; K386-E392 PolarHBondContact NZ-OE1 3.41Å; K386-E392 IonicContact NZ-OE2 3.1Å; K386-E392 PolarHBondContact NZ-OE2 2.94Å
387	C	94.8	Very high	94.5	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.027	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-72.6	155.9	-176.5	-57.9	0	0	0	0	110.5	R331 T385 R393	R331-C387 PolarHBondContact O-SG 3.28Å; T385-C387 PolarHBondContact O-N 3.18Å; C387-R393 HydrophobicContact CB-CB 4.19Å; C387-R393 PolarHBondContact N-O 3.35Å
388	L	93.5	Very high	94.6	Very high	51 Å²	51	34 Å²	34	27%	0.267	17%	0.172	S	C	.	.	S	Bend	trans	-72.8	153	171.7	-74.2	173.7	0	0	0	111.7	G143 P209 A211 R393	G143-L388 CarbonylContact C-O 3.49Å; P209-L388 HydrophobicContact CB-CD1 3.74Å; P209-L388 HydrophobicContact CG-CD1 3.7Å; P209-L388 WeakPolarHBondContact O-CD1 3.42Å; A211-L388 HydrophobicContact CB-CD2 3.99Å; L388-R393 PolarHBondContact O-NH2 3.37Å
389	G	88.2	Confident	94.6	Very high	19 Å²	19	34 Å²	34	20%	0.196	17%	0.172	C	C	.	.	S	Bend	trans	78.7	177.1	173	0	0	0	0	0	115	D144	D144-G389 WeakPolarHBondContact OD1-CA 3.35Å
390	N	86.5	Confident	94.6	Very high	66 Å²	66	34 Å²	34	35%	0.353	17%	0.173	S	C	.	.	S	Bend	trans	-100.2	147.1	-178.1	-59.9	-71.9	0	0	0	110.7	L132 D144 V145 R393	L132-N390 HydrophobicContact CD1-CB 3.99Å; L132-N390 HydrophobicContact CD2-CB 4.19Å; D144-N390 WeakPolarHBondContact CA-O 3.29Å; D144-N390 PolarHBondContact OD1-N 3.11Å; D144-N390 PolarHBondContact OD1-ND2 2.88Å; V145-N390 PolarHBondContact N-O 3.31Å; N390-R393 VanDerWaalsContact C-NH1 3.27Å; N390-R393 PolarHBondContact O-NH1 3.1Å; N390-R393 VanDerWaalsContact O-NH1 3.13Å
391	P	88.1	Confident	94.6	Very high	47 Å²	47	28.8 Å²	28.8	31%	0.305	15%	0.149	S	C	.	.	S	Bend	cis	-64.3	163.7	-10.5	29	-36.3	0	0	0	112.6	A130 R393	A130-P391 HydrophobicContact CB-CB 3.86Å; A130-P391 HydrophobicContact CB-CG 4.14Å; P391-R393 HydrophobicContact CG-CG 4.39Å; P391-R393 WeakPolarHBondContact O-CG 3.44Å; P391-R393 PolarHBondContact O-N 3.1Å; P391-R393 PolarHBondContact O-NH1 3.27Å
392	E	90.9	Very high	94.4	Very high	144 Å²	144	28 Å²	28	67%	0.673	15%	0.146	S	C	*	.	P	Polyproline II helix	trans	-61.2	127.3	173.4	-60.7	-159.6	144	0	0	110.5	K386	K386-E392 WeakPolarHBondContact CE-OE1 3.49Å; K386-E392 IonicContact NZ-OE1 3.44Å; K386-E392 PolarHBondContact NZ-OE1 3.41Å; K386-E392 IonicContact NZ-OE2 3.1Å; K386-E392 PolarHBondContact NZ-OE2 2.94Å
393	R	93.6	Very high	94.3	Very high	18 Å²	18	27.6 Å²	27.6	7%	0.068	14%	0.143	C	C	.	.			trans	-137.3	146.6	-177.6	-63.4	173.7	-50.7	-93.2	13.8	109.5	G143 D332 M333 C387 L388 N390 P391	G143-R393 PolarHBondContact O-NH2 2.77Å; D332-R393 PolarHBondContact O-NE 3.19Å; D332-R393 PolarHBondContact O-NH2 3.4Å; M333-R393 WeakPolarHBondContact O-CD 3.41Å; C387-R393 HydrophobicContact CB-CB 4.19Å; C387-R393 PolarHBondContact N-O 3.35Å; L388-R393 PolarHBondContact O-NH2 3.37Å; N390-R393 VanDerWaalsContact C-NH1 3.27Å; N390-R393 PolarHBondContact O-NH1 3.1Å; N390-R393 VanDerWaalsContact O-NH1 3.13Å; P391-R393 HydrophobicContact CG-CG 4.39Å; P391-R393 WeakPolarHBondContact O-CG 3.44Å; P391-R393 PolarHBondContact O-N 3.1Å; P391-R393 PolarHBondContact O-NH1 3.27Å
394	E	96	Very high	94	Very high	94 Å²	94	27.3 Å²	27.3	44%	0.439	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137	170.1	-64.5	-174.6	-168.2	0	0	108.6	L214 G334 R384	L214-E394 HydrophobicContact CD1-CG 4.09Å; G334-E394 CarbonylContact C-O 3.58Å; G334-E394 WeakPolarHBondContact CA-O 3.24Å; R384-E394 IonicContact CZ-OE2 2.79Å; R384-E394 VanDerWaalsContact CZ-OE2 3.26Å; R384-E394 IonicContact NE-OE2 3.64Å; R384-E394 PolarHBondContact NE-OE2 2.78Å; R384-E394 VanDerWaalsContact NE-OE2 3.1Å; R384-E394 IonicContact NH2-OE2 3.8Å; R384-E394 PolarHBondContact NH2-OE2 2.69Å
395	G	95.9	Very high	93.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	162.8	175.5	0	0	0	0	0	109.8	R384 T385	R384-G395 WeakPolarHBondContact CA-O 3.4Å; T385-G395 PolarHBondContact N-O 3.35Å; T385-G395 PolarHBondContact O-N 3.11Å; T385-G395 VanDerWaalsContact O-N 3.08Å
396	S	97.2	Very high	92.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.7	176.3	70	0	0	0	0	111.9	Y335 N336 V337 G383	Y335-S396 PolarHBondContact O-N 3.5Å; N336-S396 PolarHBondContact OD1-OG 3.31Å; V337-S396 PolarHBondContact N-O 2.88Å; G383-S396 WeakPolarHBondContact O-CA 3.11Å
397	I	97.9	Very high	92.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.2	169.2	-57.3	166.4	0	0	0	108	G236 I324 E328 R331 V337 A382 G383 I399	G236-I397 CarbonylContact C-O 3.57Å; G236-I397 VanDerWaalsContact CA-O 3.24Å; G236-I397 WeakPolarHBondContact CA-O 3.46Å; I324-I397 HydrophobicContact CD1-CG2 4.19Å; E328-I397 HydrophobicContact CB-CD1 4.12Å; E328-I397 HydrophobicContact CG-CD1 3.49Å; E328-I397 VanDerWaalsContact CG-CD1 3.49Å; R331-I397 HydrophobicContact CB-CD1 3.94Å; R331-I397 HydrophobicContact CB-CG1 3.64Å; R331-I397 HydrophobicContact CG-CD1 4.25Å; R331-I397 HydrophobicContact CG-CG1 3.89Å; V337-I397 CarbonylContact O-C 3.57Å; V337-I397 WeakPolarHBondContact O-CA 3.4Å; A382-I397 WeakPolarHBondContact CB-O 3.3Å; G383-I397 PolarHBondContact N-O 3.34Å; G383-I397 VanDerWaalsContact N-O 3.12Å; G383-I397 PolarHBondContact O-N 3.5Å; I397-I399 HydrophobicContact CG2-CG1 4.04Å
398	S	97.3	Very high	91.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.4	168.7	-58.6	0	0	0	0	109.3	V234 Q235 G236 G237 V337 M339	V234-S398 PolarHBondContact O-OG 2.78Å; Q235-S398 WeakPolarHBondContact CA-OG 3.33Å; G236-S398 PolarHBondContact N-OG 3.01Å; G237-S398 WeakPolarHBondContact O-CA 3.39Å; V337-S398 PolarHBondContact O-N 3.45Å; M339-S398 PolarHBondContact N-O 3.34Å
399	I	97.1	Very high	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.6	176.3	-64.2	179.7	0	0	0	109.5	G237 T239 I324 M339 F378 Y379 A382 I397	G237-I399 PolarHBondContact O-N 3.29Å; T239-I399 PolarHBondContact N-O 2.79Å; I324-I399 HydrophobicContact CD1-CD1 3.65Å; I324-I399 HydrophobicContact CD1-CG1 4.28Å; M339-I399 HydrophobicContact CB-CG1 4.38Å; M339-I399 HydrophobicContact SD-CG1 4.46Å; F378-I399 HydrophobicContact CE1-CD1 4.46Å; F378-I399 HydrophobicContact CE1-CG2 3.8Å; F378-I399 HydrophobicContact CE2-CD1 4.33Å; F378-I399 HydrophobicContact CZ-CD1 4.17Å; F378-I399 HydrophobicContact CZ-CG2 3.81Å; Y379-I399 HydrophobicContact CD1-CB 4.38Å; Y379-I399 HydrophobicContact CD1-CG2 3.82Å; Y379-I399 HydrophobicContact CE1-CG2 3.72Å; A382-I399 HydrophobicContact CB-CB 4.26Å; A382-I399 HydrophobicContact CB-CD1 3.67Å; A382-I399 HydrophobicContact CB-CG1 3.72Å; I397-I399 HydrophobicContact CG2-CG1 4.04Å
400	V	95.8	Very high	90.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	103.3	172	-175.6	0	0	0	0	108.5	T239 I241 L256 M339 M340 A341	T239-V400 WeakPolarHBondContact O-CA 3.23Å; I241-V400 HydrophobicContact CD1-CG1 3.46Å; I241-V400 VanDerWaalsContact CD1-CG1 3.46Å; I241-V400 HydrophobicContact CG1-CG1 3.87Å; L256-V400 HydrophobicContact CD2-CG2 3.81Å; M339-V400 PolarHBondContact O-N 3.09Å; M340-V400 WeakPolarHBondContact CA-O 3.36Å; A341-V400 PolarHBondContact N-O 3.22Å
401	G	94.9	Very high	90.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124	179.7	0	0	0	0	0	112.3	T239 A240 I241	T239-G401 PolarHBondContact O-N 2.94Å; A240-G401 CarbonylContact C-O 3.58Å; A240-G401 WeakPolarHBondContact CA-O 3.14Å; I241-G401 PolarHBondContact N-O 3.26Å
402	A	93.5	Very high	90.7	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.5	172.6	0	0	0	0	0	110.1	K249 A341 D342 S343 T344	K249-A402 HydrophobicContact CD-CB 4.32Å; A341-A402 PolarHBondContact O-N 3.32Å; D342-A402 HydrophobicContact CB-CB 4.44Å; D342-A402 WeakPolarHBondContact OD1-CB 3.17Å; S343-A402 WeakPolarHBondContact CA-O 3.27Å; S343-A402 WeakPolarHBondContact CB-O 3.49Å; T344-A402 PolarHBondContact N-O 2.87Å; T344-A402 PolarHBondContact OG1-O 3.45Å
403	V	93	Very high	90.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.5	177.4	-169	0	0	0	0	108.1	A240 I241 P242 G243 S345 P405 V414 T418	A240-V403 HydrophobicContact CB-CG2 4.39Å; I241-V403 PolarHBondContact O-N 3.28Å; P242-V403 VanDerWaalsContact CA-O 3.26Å; P242-V403 WeakPolarHBondContact CA-O 3.33Å; P242-V403 HydrophobicContact CB-CB 4.07Å; G243-V403 PolarHBondContact N-O 3.47Å; G243-V403 VanDerWaalsContact N-O 3.13Å; S345-V403 VanDerWaalsContact OG-CG1 3.31Å; S345-V403 WeakPolarHBondContact OG-CG1 3.44Å; V403-P405 VanDerWaalsContact C-CD 3.4Å; V403-P405 WeakPolarHBondContact O-CD 3.48Å; V403-V414 HydrophobicContact CG1-CG1 4.23Å; V403-T418 HydrophobicContact CG2-CG2 4.04Å
404	S	89.3	Confident	90.7	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.063	18%	0.179	C	C	.	.			trans	-114.9	74.1	179.9	-70.2	0	0	0	0	109.8	K249 S345	K249-S404 WeakPolarHBondContact CE-OG 3.48Å; K249-S404 PolarHBondContact NZ-OG 2.67Å; S345-S404 PolarHBondContact OG-N 3.26Å
405	P	86.1	Confident	90.6	Very high	1 Å²	1	23 Å²	23	1%	0.006	16%	0.159	C	C	.	.			trans	-60.6	142.9	178.6	21.6	-29.7	0	0	0	111.3	V403 G407 G408 D409 F410 D412	V403-P405 VanDerWaalsContact C-CD 3.4Å; V403-P405 WeakPolarHBondContact O-CD 3.48Å; P405-G407 PolarHBondContact O-N 2.95Å; P405-G408 PolarHBondContact O-N 2.96Å; P405-G408 VanDerWaalsContact O-N 3.14Å; P405-D409 WeakPolarHBondContact CB-O 3.36Å; P405-F410 HydrophobicContact CG-CD1 4.5Å; P405-D412 HydrophobicContact CB-CB 4.27Å
406	P	85	Confident	90.4	Very high	84 Å²	84	25.9 Å²	25.9	55%	0.545	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-58.6	125	174.2	25.8	-32.9	0	0	0	109.6	G408 D409 D412	P406-G408 PolarHBondContact O-N 2.65Å; P406-D409 PolarHBondContact O-N 3.04Å; P406-D412 HydrophobicContact CG-CB 4.41Å
407	G	79.5	Confident	90.3	Very high	78 Å²	78	26.8 Å²	26.8	80%	0.804	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	69.9	-2.4	-179.7	0	0	0	0	0	116.3	P405	P405-G407 PolarHBondContact O-N 2.95Å
408	G	79.1	Confident	90.1	Very high	26 Å²	26	26.9 Å²	26.9	27%	0.268	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	84.6	14.8	-170.8	0	0	0	0	0	113.9	P405 P406	P405-G408 PolarHBondContact O-N 2.96Å; P405-G408 VanDerWaalsContact O-N 3.14Å; P406-G408 PolarHBondContact O-N 2.65Å
409	D	83.7	Confident	89.9	Confident	87 Å²	87	29 Å²	29	47%	0.465	20%	0.198	S	C	.	.			trans	-81.5	117.8	-178.1	-171.1	-7	0	0	0	111.7	P405 P406 S411 D412	P405-D409 WeakPolarHBondContact CB-O 3.36Å; P406-D409 PolarHBondContact O-N 3.04Å; D409-S411 PolarHBondContact O-N 2.91Å; D409-S411 WeakPolarHBondContact OD1-CB 3.28Å; D409-S411 PolarHBondContact OD1-N 3.18Å; D409-S411 PolarHBondContact OD1-OG 3.09Å; D409-S411 PolarHBondContact OD2-OG 3.04Å; D409-D412 PolarHBondContact O-N 3.3Å
410	F	83.1	Confident	89.7	Confident	66 Å²	66	32.1 Å²	32.1	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	179.6	-57.7	-41.8	0	0	0	113.9	P242 P405 D412 T415 F425 I445	P242-F410 HydrophobicContact CB-CD1 4.33Å; P242-F410 HydrophobicContact CB-CE1 3.93Å; P242-F410 HydrophobicContact CG-CE1 4.01Å; P405-F410 HydrophobicContact CG-CD1 4.5Å; F410-D412 PolarHBondContact O-N 3.02Å; F410-T415 HydrophobicContact CB-CG2 4.08Å; F410-T415 HydrophobicContact CD1-CG2 3.99Å; F410-T415 HydrophobicContact CG-CG2 4.45Å; F410-F425 HydrophobicContact CE1-CZ 4.41Å; F410-I445 HydrophobicContact CD2-CD1 4.47Å; F410-I445 HydrophobicContact CE2-CD1 3.41Å; F410-I445 VanDerWaalsContact CE2-CD1 3.41Å; F410-I445 HydrophobicContact CZ-CD1 3.76Å
411	S	86.2	Confident	89.7	Confident	83 Å²	83	33.1 Å²	33.1	58%	0.58	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8	173.2	71.8	0	0	0	0	113.5	D409	D409-S411 PolarHBondContact O-N 2.91Å; D409-S411 WeakPolarHBondContact OD1-CB 3.28Å; D409-S411 PolarHBondContact OD1-N 3.18Å; D409-S411 PolarHBondContact OD1-OG 3.09Å; D409-S411 PolarHBondContact OD2-OG 3.04Å
412	D	89.2	Confident	89.7	Confident	13 Å²	13	33.1 Å²	33.1	7%	0.07	24%	0.235	C	C	.	.	S	Bend	trans	-55.7	139.1	175.2	170.1	79.9	0	0	0	111.8	P405 P406 D409 F410 V414 T415 S416	P405-D412 HydrophobicContact CB-CB 4.27Å; P406-D412 HydrophobicContact CG-CB 4.41Å; D409-D412 PolarHBondContact O-N 3.3Å; F410-D412 PolarHBondContact O-N 3.02Å; D412-V414 VanDerWaalsContact C-N 3.26Å; D412-V414 PolarHBondContact O-N 3.29Å; D412-V414 WeakPolarHBondContact OD2-CA 3.37Å; D412-V414 WeakPolarHBondContact OD2-CB 3.42Å; D412-V414 WeakPolarHBondContact OD2-CG2 3.31Å; D412-V414 PolarHBondContact OD2-N 2.87Å; D412-T415 PolarHBondContact O-N 2.82Å; D412-T415 VanDerWaalsContact O-N 3.07Å; D412-T415 PolarHBondContact OD2-N 3.01Å; D412-S416 PolarHBondContact O-N 3.43Å; D412-S416 PolarHBondContact O-OG 3.48Å
413	P	92.1	Very high	89.9	Confident	27 Å²	27	36 Å²	36	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-33.6	-177.5	-29.4	36.9	0	0	0	114.6	D364 Y367 A417	D364-P413 HydrophobicContact CB-CG 3.97Å; Y367-P413 HydrophobicContact CD2-CB 3.82Å; Y367-P413 HydrophobicContact CD2-CG 3.92Å; Y367-P413 HydrophobicContact CE2-CB 4.12Å; Y367-P413 HydrophobicContact CE2-CG 4.11Å; P413-A417 WeakPolarHBondContact O-CB 3.44Å; P413-A417 PolarHBondContact O-N 2.92Å
414	V	93.9	Very high	90	Very high	0 Å²	0	36 Å²	36	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-43.2	178.2	-170.8	0	0	0	0	110	A348 Y367 L371 L375 V403 D412 T418	A348-V414 HydrophobicContact CB-CB 4.4Å; A348-V414 HydrophobicContact CB-CG1 3.97Å; A348-V414 HydrophobicContact CB-CG2 3.49Å; A348-V414 VanDerWaalsContact CB-CG2 3.49Å; Y367-V414 HydrophobicContact CE1-CG2 3.83Å; Y367-V414 HydrophobicContact CE2-CG2 4Å; Y367-V414 VanDerWaalsContact CZ-CG2 3.48Å; Y367-V414 WeakPolarHBondContact OH-CG2 3.47Å; L371-V414 HydrophobicContact CD2-CG2 4.27Å; L375-V414 HydrophobicContact CD1-CG1 4.41Å; V403-V414 HydrophobicContact CG1-CG1 4.23Å; D412-V414 VanDerWaalsContact C-N 3.26Å; D412-V414 PolarHBondContact O-N 3.29Å; D412-V414 WeakPolarHBondContact OD2-CA 3.37Å; D412-V414 WeakPolarHBondContact OD2-CB 3.42Å; D412-V414 WeakPolarHBondContact OD2-CG2 3.31Å; D412-V414 PolarHBondContact OD2-N 2.87Å; V414-T418 VanDerWaalsContact O-CB 3.27Å; V414-T418 WeakPolarHBondContact O-CB 3.16Å; V414-T418 PolarHBondContact O-N 3.4Å; V414-T418 PolarHBondContact O-OG1 3.07Å
415	T	92.4	Very high	90.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-45.9	177.9	-55.2	0	0	0	0	111.1	F410 D412 T418 L419	F410-T415 HydrophobicContact CB-CG2 4.08Å; F410-T415 HydrophobicContact CD1-CG2 3.99Å; F410-T415 HydrophobicContact CG-CG2 4.45Å; D412-T415 PolarHBondContact O-N 2.82Å; D412-T415 VanDerWaalsContact O-N 3.07Å; D412-T415 PolarHBondContact OD2-N 3.01Å; T415-T418 PolarHBondContact O-N 3.16Å; T415-L419 HydrophobicContact CG2-CD1 4.08Å; T415-L419 HydrophobicContact CG2-CG 4.43Å; T415-L419 WeakPolarHBondContact O-CB 3.35Å; T415-L419 WeakPolarHBondContact O-CG 3.42Å; T415-L419 PolarHBondContact O-N 2.87Å
416	S	92.5	Very high	90.7	Very high	59 Å²	59	35.9 Å²	35.9	41%	0.413	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-44.8	178.7	-63.2	0	0	0	0	112.1	D412 L419 G420	D412-S416 PolarHBondContact O-N 3.43Å; D412-S416 PolarHBondContact O-OG 3.48Å; S416-L419 PolarHBondContact O-N 3.43Å; S416-G420 PolarHBondContact O-N 2.62Å
417	A	94.1	Very high	91.1	Very high	21 Å²	21	31.9 Å²	31.9	17%	0.174	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-43.1	175.4	0	0	0	0	0	111.7	A372 L375 P413 L419 G420 I421	A372-A417 HydrophobicContact CB-CB 4.28Å; L375-A417 HydrophobicContact CD1-CB 3.72Å; P413-A417 WeakPolarHBondContact O-CB 3.44Å; P413-A417 PolarHBondContact O-N 2.92Å; A417-L419 PolarHBondContact O-N 2.91Å; A417-G420 PolarHBondContact O-N 3.06Å; A417-I421 VanDerWaalsContact O-CD1 3.27Å; A417-I421 WeakPolarHBondContact O-CD1 3.27Å; A417-I421 WeakPolarHBondContact O-CG1 3.44Å
418	T	94.7	Very high	91.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-44.5	178.7	-57.2	0	0	0	0	111.3	A240 Y379 V403 V414 T415 G420 I421 V422	A240-T418 HydrophobicContact CB-CG2 3.57Å; Y379-T418 HydrophobicContact CE2-CG2 4.05Å; V403-T418 HydrophobicContact CG2-CG2 4.04Å; V414-T418 VanDerWaalsContact O-CB 3.27Å; V414-T418 WeakPolarHBondContact O-CB 3.16Å; V414-T418 PolarHBondContact O-N 3.4Å; V414-T418 PolarHBondContact O-OG1 3.07Å; T415-T418 PolarHBondContact O-N 3.16Å; T418-G420 VanDerWaalsContact C-N 3.25Å; T418-G420 PolarHBondContact O-N 3.2Å; T418-I421 PolarHBondContact O-N 2.68Å; T418-V422 HydrophobicContact CG2-CG1 3.73Å; T418-V422 HydrophobicContact CG2-CG2 4.37Å; T418-V422 WeakPolarHBondContact O-CG2 3.42Å; T418-V422 PolarHBondContact O-N 3.07Å
419	L	93.2	Very high	92.3	Very high	45 Å²	45	29 Å²	29	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-36.9	176.6	-85.1	169.9	0	0	0	113.3	T415 S416 A417 I421 F425 Y447	T415-L419 HydrophobicContact CG2-CD1 4.08Å; T415-L419 HydrophobicContact CG2-CG 4.43Å; T415-L419 WeakPolarHBondContact O-CB 3.35Å; T415-L419 WeakPolarHBondContact O-CG 3.42Å; T415-L419 PolarHBondContact O-N 2.87Å; S416-L419 PolarHBondContact O-N 3.43Å; A417-L419 PolarHBondContact O-N 2.91Å; L419-I421 VanDerWaalsContact C-N 3.26Å; L419-I421 PolarHBondContact O-N 3.31Å; L419-F425 HydrophobicContact CD1-CE2 4.27Å; L419-F425 HydrophobicContact CD2-CB 4.38Å; L419-F425 HydrophobicContact CD2-CD1 4.37Å; L419-F425 HydrophobicContact CD2-CD2 3.19Å; L419-F425 HydrophobicContact CD2-CE1 4.49Å; L419-F425 HydrophobicContact CD2-CE2 3.23Å; L419-F425 HydrophobicContact CD2-CG 3.77Å; L419-F425 HydrophobicContact CD2-CZ 3.97Å; L419-F425 HydrophobicContact CG-CD2 4.09Å; L419-F425 HydrophobicContact CG-CE2 3.79Å; L419-Y447 HydrophobicContact CD2-CE1 3.9Å; L419-Y447 WeakPolarHBondContact CD2-OH 3.43Å; L419-Y447 PolarHBondContact O-OH 2.93Å
420	G	92.5	Very high	92.6	Very high	65 Å²	65	30.3 Å²	30.3	67%	0.67	18%	0.182	S	C	*	.	H	α-helix	trans	-69.6	-21.9	177.5	0	0	0	0	0	114.1	S416 A417 T418	S416-G420 PolarHBondContact O-N 2.62Å; A417-G420 PolarHBondContact O-N 3.06Å; T418-G420 VanDerWaalsContact C-N 3.25Å; T418-G420 PolarHBondContact O-N 3.2Å
421	I	95.1	Very high	93	Very high	25 Å²	25	33.7 Å²	33.7	13%	0.128	20%	0.196	C	C	.	.	H	α-helix	trans	-102.7	-47	-173.5	-58.6	157.9	0	0	0	111.3	L375 A376 Y379 A417 T418 L419	L375-I421 HydrophobicContact CB-CD1 3.62Å; A376-I421 HydrophobicContact CB-CD1 3.97Å; A376-I421 HydrophobicContact CB-CG1 4.21Å; Y379-I421 HydrophobicContact CD2-CG2 4.17Å; Y379-I421 HydrophobicContact CG-CG2 4.1Å; A417-I421 VanDerWaalsContact O-CD1 3.27Å; A417-I421 WeakPolarHBondContact O-CD1 3.27Å; A417-I421 WeakPolarHBondContact O-CG1 3.44Å; T418-I421 PolarHBondContact O-N 2.68Å; L419-I421 VanDerWaalsContact C-N 3.26Å; L419-I421 PolarHBondContact O-N 3.31Å
422	V	96.3	Very high	93.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.			trans	-74.2	147.7	-173.2	-57.3	0	0	0	0	112.6	A240 Y379 T418 V424	A240-V422 HydrophobicContact CB-CB 4.42Å; A240-V422 HydrophobicContact CB-CG1 4.11Å; A240-V422 HydrophobicContact CB-CG2 3.82Å; Y379-V422 HydrophobicContact CD1-CG1 3.89Å; Y379-V422 HydrophobicContact CD2-CG1 4.45Å; Y379-V422 HydrophobicContact CE1-CG1 3.66Å; Y379-V422 HydrophobicContact CE2-CG1 4.28Å; Y379-V422 HydrophobicContact CG-CG1 4.29Å; T418-V422 HydrophobicContact CG2-CG1 3.73Å; T418-V422 HydrophobicContact CG2-CG2 4.37Å; T418-V422 WeakPolarHBondContact O-CG2 3.42Å; T418-V422 PolarHBondContact O-N 3.07Å; V422-V424 WeakPolarHBondContact CG2-O 3.45Å
423	Q	96.4	Very high	93.4	Very high	63 Å²	63	30.8 Å²	30.8	29%	0.294	18%	0.177	S	C	.	.	S	Bend	trans	-91	-23	178.5	-61.3	-58.9	-43.9	0	0	113	T238 K449 Y450	T238-Q423 PolarHBondContact O-N 3.46Å; T238-Q423 PolarHBondContact OG1-N 2.94Å; Q423-K449 HydrophobicContact CB-CB 4.36Å; Q423-K449 WeakPolarHBondContact O-CB 3.35Å; Q423-K449 PolarHBondContact O-N 2.92Å; Q423-Y450 HydrophobicContact CB-CD2 4.12Å; Q423-Y450 HydrophobicContact CB-CE1 3.94Å; Q423-Y450 HydrophobicContact CB-CE2 3.41Å; Q423-Y450 VanDerWaalsContact CB-CE2 3.41Å; Q423-Y450 WeakPolarHBondContact CB-OH 3.45Å; Q423-Y450 HydrophobicContact CG-CE1 4.04Å; Q423-Y450 HydrophobicContact CG-CE2 4.26Å; Q423-Y450 VanDerWaalsContact CG-OH 3.3Å; Q423-Y450 WeakPolarHBondContact CG-OH 3.38Å
424	V	96.4	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.7	177.1	-173.5	0	0	0	0	110.5	C233 T238 T239 A240 V422 W426 Y450	C233-V424 HydrophobicContact CB-CG2 4.43Å; T238-V424 PolarHBondContact O-N 3.5Å; T238-V424 VanDerWaalsContact O-N 3.09Å; T239-V424 WeakPolarHBondContact CA-O 3.44Å; T239-V424 HydrophobicContact CG2-CB 4.06Å; T239-V424 HydrophobicContact CG2-CG1 3.96Å; A240-V424 PolarHBondContact N-O 2.98Å; V422-V424 WeakPolarHBondContact CG2-O 3.45Å; V424-W426 HydrophobicContact CG1-CG 4.43Å; V424-W426 HydrophobicContact CG1-CZ2 4.28Å; V424-Y450 HydrophobicContact CG2-CD2 3.34Å; V424-Y450 HydrophobicContact CG2-CE2 3.59Å
425	F	95.2	Very high	93.3	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113	-179.7	-179.9	-99.8	0	0	0	110.2	P242 F410 L419 I445 S446 Y447	P242-F425 HydrophobicContact CB-CE2 4.35Å; P242-F425 HydrophobicContact CG-CD2 3.96Å; P242-F425 HydrophobicContact CG-CE1 4.28Å; P242-F425 HydrophobicContact CG-CE2 3.23Å; P242-F425 HydrophobicContact CG-CZ 3.38Å; F410-F425 HydrophobicContact CE1-CZ 4.41Å; L419-F425 HydrophobicContact CD1-CE2 4.27Å; L419-F425 HydrophobicContact CD2-CB 4.38Å; L419-F425 HydrophobicContact CD2-CD1 4.37Å; L419-F425 HydrophobicContact CD2-CD2 3.19Å; L419-F425 HydrophobicContact CD2-CE1 4.49Å; L419-F425 HydrophobicContact CD2-CE2 3.23Å; L419-F425 HydrophobicContact CD2-CG 3.77Å; L419-F425 HydrophobicContact CD2-CZ 3.97Å; L419-F425 HydrophobicContact CG-CD2 4.09Å; L419-F425 HydrophobicContact CG-CE2 3.79Å; F425-I445 HydrophobicContact CE1-CD1 4.37Å; F425-I445 HydrophobicContact CE1-CG1 4.33Å; F425-S446 VanDerWaalsContact O-CA 3.28Å; F425-S446 WeakPolarHBondContact O-CA 3.15Å; F425-S446 VanDerWaalsContact O-CB 3.26Å; F425-S446 WeakPolarHBondContact O-CB 3.45Å; F425-Y447 HydrophobicContact CB-CD1 3.8Å; F425-Y447 HydrophobicContact CB-CD2 4.32Å; F425-Y447 HydrophobicContact CB-CE1 3.44Å; F425-Y447 VanDerWaalsContact CB-CE1 3.44Å; F425-Y447 HydrophobicContact CB-CE2 3.99Å; F425-Y447 HydrophobicContact CB-CG 4.22Å; F425-Y447 HydrophobicContact CD1-CD1 4.13Å; F425-Y447 AromaticContact CD1-CE1 3.98Å; F425-Y447 HydrophobicContact CD1-CE1 3.98Å; F425-Y447 HydrophobicContact CG-CD1 4.28Å; F425-Y447 AromaticContact CG-CE1 3.81Å; F425-Y447 HydrophobicContact CG-CE1 3.81Å; F425-Y447 PolarHBondContact N-O 2.91Å; F425-Y447 PolarHBondContact O-N 2.86Å; F425-Y447 VanDerWaalsContact O-N 3.11Å
426	W	95.1	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.			trans	-104.8	80.1	176.4	-62.5	-23	0	0	0	110	T222 L227 F231 C233 T239 A240 I241 P242 I252 L256 V424 L428	T222-W426 HydrophobicContact CG2-CH2 3.7Å; T222-W426 HydrophobicContact CG2-CZ2 4.27Å; L227-W426 HydrophobicContact CB-CZ2 4.11Å; L227-W426 HydrophobicContact CD1-CD2 4.18Å; L227-W426 HydrophobicContact CD1-CE3 3.84Å; L227-W426 HydrophobicContact CD1-CH2 4.1Å; L227-W426 HydrophobicContact CD1-CZ2 4.34Å; L227-W426 HydrophobicContact CD1-CZ3 3.82Å; L227-W426 HydrophobicContact CD2-CB 4.32Å; L227-W426 HydrophobicContact CD2-CD2 3.58Å; L227-W426 HydrophobicContact CD2-CE3 4.06Å; L227-W426 HydrophobicContact CD2-CG 3.67Å; L227-W426 HydrophobicContact CD2-CZ2 4.42Å; L227-W426 HydrophobicContact CG-CD2 4.37Å; F231-W426 PolarHBondContact O-NE1 2.67Å; C233-W426 HydrophobicContact CB-CH2 4.32Å; C233-W426 HydrophobicContact CB-CZ2 3.93Å; T239-W426 HydrophobicContact CG2-CD2 3.55Å; T239-W426 HydrophobicContact CG2-CE3 3.57Å; T239-W426 HydrophobicContact CG2-CG 4.17Å; T239-W426 HydrophobicContact CG2-CH2 3.9Å; T239-W426 HydrophobicContact CG2-CZ2 3.94Å; T239-W426 HydrophobicContact CG2-CZ3 3.73Å; A240-W426 PolarHBondContact O-N 2.99Å; I241-W426 HydrophobicContact CD1-CE3 3.74Å; I241-W426 HydrophobicContact CD1-CZ3 4.06Å; I241-W426 HydrophobicContact CG1-CB 4.49Å; I241-W426 HydrophobicContact CG1-CE3 3.74Å; I241-W426 HydrophobicContact CG1-CZ3 4.4Å; P242-W426 WeakPolarHBondContact CD-O 3.33Å; I252-W426 HydrophobicContact CG2-CE3 4.37Å; I252-W426 HydrophobicContact CG2-CZ3 4.29Å; L256-W426 HydrophobicContact CD1-CH2 4.46Å; V424-W426 HydrophobicContact CG1-CG 4.43Å; V424-W426 HydrophobicContact CG1-CZ2 4.28Å; W426-L428 PolarHBondContact O-N 3.43Å
427	G	93.2	Very high	93.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.			trans	-69.3	112.7	-178	0	0	0	0	0	111.9	N442 S446	G427-N442 WeakPolarHBondContact O-CB 3.2Å; G427-N442 PolarHBondContact O-N 2.64Å; G427-S446 PolarHBondContact N-OG 3.3Å
428	L	92.8	Very high	93.1	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-84.8	130.5	176	-57	-176.4	0	0	0	111.3	I241 P242 C247 K249 I252 W426 S440 V441	I241-L428 HydrophobicContact CG2-CD1 3.7Å; I241-L428 HydrophobicContact CG2-CD2 4.41Å; I241-L428 HydrophobicContact CG2-CG 3.86Å; P242-L428 WeakPolarHBondContact O-CB 3.28Å; P242-L428 PolarHBondContact O-N 3.46Å; C247-L428 HydrophobicContact CB-CB 3.94Å; C247-L428 HydrophobicContact CB-CD1 4.03Å; K249-L428 HydrophobicContact CB-CD1 4.42Å; K249-L428 HydrophobicContact CG-CD1 3.57Å; I252-L428 HydrophobicContact CD1-CD1 4.2Å; I252-L428 HydrophobicContact CD1-CD2 3.67Å; I252-L428 HydrophobicContact CD1-CG 4.5Å; W426-L428 PolarHBondContact O-N 3.43Å; L428-S440 CarbonylContact C-O 3.58Å; L428-S440 VanDerWaalsContact CA-O 3.26Å; L428-S440 WeakPolarHBondContact CA-O 3.26Å; L428-V441 HydrophobicContact CD2-CB 4.39Å; L428-V441 HydrophobicContact CD2-CG2 3.63Å
429	D	90.5	Very high	92.9	Very high	40 Å²	40	61.7 Å²	61.7	21%	0.214	30%	0.297	C	S	.	.			trans	-101.9	126.1	179.2	177.2	15.2	0	0	0	112	K431 L432 A433 S440 N442	D429-K431 VanDerWaalsContact C-N 3.28Å; D429-K431 PolarHBondContact O-N 3.3Å; D429-K431 WeakPolarHBondContact OD1-CB 3.35Å; D429-K431 PolarHBondContact OD1-N 3.29Å; D429-L432 HydrophobicContact CB-CB 4.46Å; D429-L432 HydrophobicContact CB-CD1 4.19Å; D429-L432 HydrophobicContact CB-CG 4.24Å; D429-L432 PolarHBondContact O-N 2.8Å; D429-A433 PolarHBondContact O-N 2.92Å; D429-S440 PolarHBondContact N-O 3.34Å; D429-N442 HydrophobicContact CB-CB 3.8Å
430	K	90.1	Very high	92.9	Very high	113 Å²	113	59.6 Å²	59.6	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-34.6	176.1	-170.6	176.7	-178.2	179.8	0	112.2	A244 A433 Q434	A244-K430 HydrophobicContact CB-CD 4.37Å; K430-A433 PolarHBondContact O-N 3.28Å; K430-Q434 HydrophobicContact CG-CG 4.49Å; K430-Q434 WeakPolarHBondContact O-CB 3.21Å; K430-Q434 VanDerWaalsContact O-CG 3.29Å; K430-Q434 WeakPolarHBondContact O-CG 3.47Å; K430-Q434 PolarHBondContact O-N 3.28Å
431	K	91.5	Very high	92.9	Very high	138 Å²	138	56.5 Å²	56.5	60%	0.6	26%	0.255	S	S	*	.	H	α-helix	trans	-66.2	-39.6	179	-64.9	178.7	-179.7	174.7	0	111.6	D429 R435	D429-K431 VanDerWaalsContact C-N 3.28Å; D429-K431 PolarHBondContact O-N 3.3Å; D429-K431 WeakPolarHBondContact OD1-CB 3.35Å; D429-K431 PolarHBondContact OD1-N 3.29Å; K431-R435 WeakPolarHBondContact O-CG 3.37Å; K431-R435 PolarHBondContact O-N 3.29Å
432	L	92	Very high	92.8	Very high	18 Å²	18	56.6 Å²	56.6	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-44.6	174	-69.7	177.4	0	0	0	111.1	D429 Q434 R435 K436 H437 V441 W443	D429-L432 HydrophobicContact CB-CB 4.46Å; D429-L432 HydrophobicContact CB-CD1 4.19Å; D429-L432 HydrophobicContact CB-CG 4.24Å; D429-L432 PolarHBondContact O-N 2.8Å; L432-Q434 PolarHBondContact O-N 3.48Å; L432-R435 CarbonylContact O-C 3.58Å; L432-R435 PolarHBondContact O-N 3.4Å; L432-R435 VanDerWaalsContact O-N 3.16Å; L432-K436 PolarHBondContact O-N 3.46Å; L432-H437 HydrophobicContact CB-CB 4.31Å; L432-H437 HydrophobicContact CD2-CB 4.27Å; L432-H437 PolarHBondContact O-N 2.95Å; L432-V441 WeakPolarHBondContact CD1-O 3.45Å; L432-W443 HydrophobicContact CD1-CE3 4.46Å; L432-W443 HydrophobicContact CD1-CH2 4.47Å; L432-W443 HydrophobicContact CD1-CZ3 4Å; L432-W443 HydrophobicContact CD2-CH2 4.03Å; L432-W443 HydrophobicContact CD2-CZ3 4.24Å
433	A	90.7	Very high	92.5	Very high	17 Å²	17	59.7 Å²	59.7	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-42.6	177.1	0	0	0	0	0	112.4	D429 K430 R435 K436 S440	D429-A433 PolarHBondContact O-N 2.92Å; K430-A433 PolarHBondContact O-N 3.28Å; A433-R435 PolarHBondContact O-N 2.93Å; A433-K436 WeakPolarHBondContact O-CA 3.37Å; A433-K436 PolarHBondContact O-N 3.5Å; A433-S440 WeakPolarHBondContact CA-OG 3.35Å; A433-S440 WeakPolarHBondContact CB-OG 3.36Å; A433-S440 PolarHBondContact N-OG 3.5Å
434	Q	91.7	Very high	92.3	Very high	139 Å²	139	63.4 Å²	63.4	65%	0.65	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-30.3	176.3	-76.1	174.8	-19.6	0	0	113	K430 L432 K436	K430-Q434 HydrophobicContact CG-CG 4.49Å; K430-Q434 WeakPolarHBondContact O-CB 3.21Å; K430-Q434 VanDerWaalsContact O-CG 3.29Å; K430-Q434 WeakPolarHBondContact O-CG 3.47Å; K430-Q434 PolarHBondContact O-N 3.28Å; L432-Q434 PolarHBondContact O-N 3.48Å; Q434-K436 PolarHBondContact O-N 2.87Å
435	R	93.9	Very high	92	Very high	204 Å²	204	66.4 Å²	66.4	77%	0.77	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	5.1	174	-67.6	175.7	-178	-178.8	-0.1	113.4	K431 L432 A433 H437	K431-R435 WeakPolarHBondContact O-CG 3.37Å; K431-R435 PolarHBondContact O-N 3.29Å; L432-R435 CarbonylContact O-C 3.58Å; L432-R435 PolarHBondContact O-N 3.4Å; L432-R435 VanDerWaalsContact O-N 3.16Å; A433-R435 PolarHBondContact O-N 2.93Å; R435-H437 PolarHBondContact O-N 3.35Å
436	K	92.6	Very high	91.9	Very high	173 Å²	173	66.4 Å²	66.4	75%	0.752	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	31.4	-174.2	-55.3	-178	178	-177.8	0	113	L432 A433 Q434 F438	L432-K436 PolarHBondContact O-N 3.46Å; A433-K436 WeakPolarHBondContact O-CA 3.37Å; A433-K436 PolarHBondContact O-N 3.5Å; Q434-K436 PolarHBondContact O-N 2.87Å; K436-F438 HydrophobicContact CB-CE2 4.08Å; K436-F438 WeakPolarHBondContact O-CD2 3.45Å
437	H	91.5	Very high	91.9	Very high	84 Å²	84	69.6 Å²	69.6	39%	0.389	32%	0.317	S	S	.	.			trans	-88	113.4	172.1	-177.7	-74.5	0	0	0	109.7	L432 R435 P439 S440	L432-H437 HydrophobicContact CB-CB 4.31Å; L432-H437 HydrophobicContact CD2-CB 4.27Å; L432-H437 PolarHBondContact O-N 2.95Å; R435-H437 PolarHBondContact O-N 3.35Å; H437-P439 PolarHBondContact ND1-O 3.14Å; H437-S440 WeakPolarHBondContact O-CA 3.42Å; H437-S440 PolarHBondContact O-OG 3.24Å
438	F	89.4	Confident	92	Very high	129 Å²	129	70.3 Å²	70.3	57%	0.566	32%	0.322	S	S	*	.	S	Bend	trans	-123.7	141.4	-176.9	-62.2	-66.9	0	0	0	112.4	K436 S440	K436-F438 HydrophobicContact CB-CE2 4.08Å; K436-F438 WeakPolarHBondContact O-CD2 3.45Å; F438-S440 WeakPolarHBondContact CD1-OG 3.2Å
439	P	91.4	Very high	92	Very high	30 Å²	30	75.4 Å²	75.4	20%	0.195	34%	0.344	C	S	.	.	S	Bend	cis	-66.3	147.7	-9.1	30.9	-37.2	0	0	0	111.4	I226 H437 V441	I226-P439 HydrophobicContact CG2-CG 3.51Å; H437-P439 PolarHBondContact ND1-O 3.14Å; P439-V441 HydrophobicContact CB-CG2 4.18Å; P439-V441 HydrophobicContact CG-CG2 4.45Å; P439-V441 PolarHBondContact O-N 2.96Å
440	S	92.2	Very high	92.2	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.007	34%	0.34	C	S	.	.			trans	-83.1	40.5	-172.6	-52.2	0	0	0	0	112.8	L428 D429 A433 H437 F438	L428-S440 CarbonylContact C-O 3.58Å; L428-S440 VanDerWaalsContact CA-O 3.26Å; L428-S440 WeakPolarHBondContact CA-O 3.26Å; D429-S440 PolarHBondContact N-O 3.34Å; A433-S440 WeakPolarHBondContact CA-OG 3.35Å; A433-S440 WeakPolarHBondContact CB-OG 3.36Å; A433-S440 PolarHBondContact N-OG 3.5Å; H437-S440 WeakPolarHBondContact O-CA 3.42Å; H437-S440 PolarHBondContact O-OG 3.24Å; F438-S440 WeakPolarHBondContact CD1-OG 3.2Å
441	V	92.9	Very high	92.2	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-81.2	125.9	-177.6	177.6	0	0	0	0	109.5	I226 L227 F231 I252 L428 L432 P439 W443	I226-V441 HydrophobicContact CD1-CB 4.05Å; I226-V441 HydrophobicContact CD1-CG1 4.21Å; I226-V441 HydrophobicContact CG2-CB 4.44Å; I226-V441 HydrophobicContact CG2-CG2 4.33Å; L227-V441 HydrophobicContact CD2-CG1 4.46Å; L227-V441 HydrophobicContact CD2-CG2 3.83Å; F231-V441 HydrophobicContact CD2-CG1 4.27Å; F231-V441 HydrophobicContact CE2-CG1 4.27Å; I252-V441 HydrophobicContact CD1-CG2 4.44Å; L428-V441 HydrophobicContact CD2-CB 4.39Å; L428-V441 HydrophobicContact CD2-CG2 3.63Å; L432-V441 WeakPolarHBondContact CD1-O 3.45Å; P439-V441 HydrophobicContact CB-CG2 4.18Å; P439-V441 HydrophobicContact CG-CG2 4.45Å; P439-V441 PolarHBondContact O-N 2.96Å; V441-W443 PolarHBondContact O-N 2.97Å
442	N	92.3	Very high	92.2	Very high	28 Å²	28	75.2 Å²	75.2	15%	0.15	34%	0.338	C	S	.	.			trans	-82.4	107.9	174.2	-179.4	-17.2	0	0	0	109.9	G427 D429 L444 I445 S446	G427-N442 WeakPolarHBondContact O-CB 3.2Å; G427-N442 PolarHBondContact O-N 2.64Å; D429-N442 HydrophobicContact CB-CB 3.8Å; N442-L444 PolarHBondContact O-N 2.72Å; N442-L444 WeakPolarHBondContact OD1-CB 3.18Å; N442-L444 PolarHBondContact OD1-N 2.98Å; N442-I445 HydrophobicContact CB-CD1 3.81Å; N442-I445 HydrophobicContact CB-CG1 3.69Å; N442-I445 PolarHBondContact OD1-N 3.09Å; N442-S446 WeakPolarHBondContact O-CB 3.26Å; N442-S446 PolarHBondContact O-N 3.05Å; N442-S446 VanDerWaalsContact O-N 3.1Å; N442-S446 PolarHBondContact O-OG 3.14Å
443	W	91.3	Very high	92.2	Very high	65 Å²	65	76.4 Å²	76.4	25%	0.246	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.9	-177.4	52	74.4	0	0	0	114.8	I226 L230 F231 L432 V441 L476	I226-W443 HydrophobicContact CD1-CB 4.49Å; I226-W443 HydrophobicContact CD1-CE3 4.29Å; L230-W443 HydrophobicContact CD1-CB 4.4Å; F231-W443 HydrophobicContact CE2-CB 4.28Å; F231-W443 HydrophobicContact CZ-CB 4.24Å; F231-W443 WeakPolarHBondContact CZ-O 3.27Å; L432-W443 HydrophobicContact CD1-CE3 4.46Å; L432-W443 HydrophobicContact CD1-CH2 4.47Å; L432-W443 HydrophobicContact CD1-CZ3 4Å; L432-W443 HydrophobicContact CD2-CH2 4.03Å; L432-W443 HydrophobicContact CD2-CZ3 4.24Å; V441-W443 PolarHBondContact O-N 2.97Å; W443-L476 HydrophobicContact CB-CD2 4.2Å; W443-L476 HydrophobicContact CD2-CD2 4.44Å; W443-L476 HydrophobicContact CG-CD2 3.73Å
444	L	91.1	Very high	92.3	Very high	141 Å²	141	75.6 Å²	75.6	74%	0.738	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-36.4	177.8	-62	175.1	0	0	0	112.6	N442	N442-L444 PolarHBondContact O-N 2.72Å; N442-L444 WeakPolarHBondContact OD1-CB 3.18Å; N442-L444 PolarHBondContact OD1-N 2.98Å
445	I	91	Very high	92.3	Very high	63 Å²	63	71 Å²	71	32%	0.323	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-24.1	-178	67.3	177.7	0	0	0	112.7	F410 F425 N442	F410-I445 HydrophobicContact CD2-CD1 4.47Å; F410-I445 HydrophobicContact CE2-CD1 3.41Å; F410-I445 VanDerWaalsContact CE2-CD1 3.41Å; F410-I445 HydrophobicContact CZ-CD1 3.76Å; F425-I445 HydrophobicContact CE1-CD1 4.37Å; F425-I445 HydrophobicContact CE1-CG1 4.33Å; N442-I445 HydrophobicContact CB-CD1 3.81Å; N442-I445 HydrophobicContact CB-CG1 3.69Å; N442-I445 PolarHBondContact OD1-N 3.09Å
446	S	93.1	Very high	92.2	Very high	6 Å²	6	67.4 Å²	67.4	4%	0.042	32%	0.32	C	S	.	.			trans	-70.2	146.8	-179	-61.8	0	0	0	0	110.2	F231 F425 G427 N442	F231-S446 VanDerWaalsContact CE1-C 3.4Å; F231-S446 WeakPolarHBondContact CE1-O 3.41Å; F425-S446 VanDerWaalsContact O-CA 3.28Å; F425-S446 WeakPolarHBondContact O-CA 3.15Å; F425-S446 VanDerWaalsContact O-CB 3.26Å; F425-S446 WeakPolarHBondContact O-CB 3.45Å; G427-S446 PolarHBondContact N-OG 3.3Å; N442-S446 WeakPolarHBondContact O-CB 3.26Å; N442-S446 PolarHBondContact O-N 3.05Å; N442-S446 VanDerWaalsContact O-N 3.1Å; N442-S446 PolarHBondContact O-OG 3.14Å
447	Y	94.4	Very high	92.2	Very high	68 Å²	68	60.6 Å²	60.6	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158	179	65.2	-97.2	0	0	0	111.2	L419 F425 K449	L419-Y447 HydrophobicContact CD2-CE1 3.9Å; L419-Y447 WeakPolarHBondContact CD2-OH 3.43Å; L419-Y447 PolarHBondContact O-OH 2.93Å; F425-Y447 HydrophobicContact CB-CD1 3.8Å; F425-Y447 HydrophobicContact CB-CD2 4.32Å; F425-Y447 HydrophobicContact CB-CE1 3.44Å; F425-Y447 VanDerWaalsContact CB-CE1 3.44Å; F425-Y447 HydrophobicContact CB-CE2 3.99Å; F425-Y447 HydrophobicContact CB-CG 4.22Å; F425-Y447 HydrophobicContact CD1-CD1 4.13Å; F425-Y447 AromaticContact CD1-CE1 3.98Å; F425-Y447 HydrophobicContact CD1-CE1 3.98Å; F425-Y447 HydrophobicContact CG-CD1 4.28Å; F425-Y447 AromaticContact CG-CE1 3.81Å; F425-Y447 HydrophobicContact CG-CE1 3.81Å; F425-Y447 PolarHBondContact N-O 2.91Å; F425-Y447 PolarHBondContact O-N 2.86Å; F425-Y447 VanDerWaalsContact O-N 3.11Å; Y447-K449 HydrophobicContact CD2-CG 4.36Å; Y447-K449 HydrophobicContact CE2-CG 4.45Å
448	S	95.1	Very high	92.3	Very high	14 Å²	14	57.3 Å²	57.3	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.8	168.2	173.7	0	0	0	0	109.2	P232 Y450	P232-S448 WeakPolarHBondContact O-CB 3.4Å; P232-S448 PolarHBondContact O-OG 3.46Å; S448-Y450 VanDerWaalsContact C-N 3.35Å; S448-Y450 PolarHBondContact OG-N 3.4Å
449	K	94.4	Very high	92.4	Very high	112 Å²	112	55.7 Å²	55.7	49%	0.487	27%	0.272	S	S	.	.	S	Bend	trans	-85.5	-8.6	174.4	-67	174.8	179.9	169.5	0	112.8	Q423 Y447 T451	Q423-K449 HydrophobicContact CB-CB 4.36Å; Q423-K449 WeakPolarHBondContact O-CB 3.35Å; Q423-K449 PolarHBondContact O-N 2.92Å; Y447-K449 HydrophobicContact CD2-CG 4.36Å; Y447-K449 HydrophobicContact CE2-CG 4.45Å; K449-T451 VanDerWaalsContact C-N 3.29Å; K449-T451 PolarHBondContact O-N 3.22Å
450	Y	94	Very high	92.5	Very high	36 Å²	36	61.5 Å²	61.5	14%	0.141	29%	0.294	C	S	.	.			trans	-84.1	0.5	179.7	-63.3	-58.5	0	0	0	114.1	V234 G237 T238 Q423 V424 S448 R452 A453 L454	V234-Y450 HydrophobicContact CB-CG 4.49Å; V234-Y450 HydrophobicContact CG1-CD1 4.26Å; V234-Y450 HydrophobicContact CG1-CD2 4.23Å; V234-Y450 HydrophobicContact CG1-CG 3.84Å; V234-Y450 HydrophobicContact CG2-CD1 3.8Å; V234-Y450 HydrophobicContact CG2-CD2 3.78Å; V234-Y450 HydrophobicContact CG2-CE1 3.77Å; V234-Y450 HydrophobicContact CG2-CE2 3.73Å; V234-Y450 HydrophobicContact CG2-CG 3.81Å; G237-Y450 WeakPolarHBondContact CA-OH 3.47Å; T238-Y450 PolarHBondContact N-OH 3.18Å; Q423-Y450 HydrophobicContact CB-CD2 4.12Å; Q423-Y450 HydrophobicContact CB-CE1 3.94Å; Q423-Y450 HydrophobicContact CB-CE2 3.41Å; Q423-Y450 VanDerWaalsContact CB-CE2 3.41Å; Q423-Y450 WeakPolarHBondContact CB-OH 3.45Å; Q423-Y450 HydrophobicContact CG-CE1 4.04Å; Q423-Y450 HydrophobicContact CG-CE2 4.26Å; Q423-Y450 VanDerWaalsContact CG-OH 3.3Å; Q423-Y450 WeakPolarHBondContact CG-OH 3.38Å; V424-Y450 HydrophobicContact CG2-CD2 3.34Å; V424-Y450 HydrophobicContact CG2-CE2 3.59Å; S448-Y450 VanDerWaalsContact C-N 3.35Å; S448-Y450 PolarHBondContact OG-N 3.4Å; Y450-R452 VanDerWaalsContact C-N 3.32Å; Y450-R452 PolarHBondContact O-N 3.44Å; Y450-A453 PolarHBondContact O-N 2.9Å; Y450-A453 VanDerWaalsContact O-N 3.1Å; Y450-L454 PolarHBondContact O-N 2.86Å; Y450-L454 VanDerWaalsContact O-N 3.1Å
451	T	90.1	Very high	92.4	Very high	41 Å²	41	67.3 Å²	67.3	25%	0.252	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-49.2	-179	47.6	0	0	0	0	111.9	P232 K449 A453 L454 D455	P232-T451 HydrophobicContact CG-CG2 4.49Å; K449-T451 VanDerWaalsContact C-N 3.29Å; K449-T451 PolarHBondContact O-N 3.22Å; T451-A453 PolarHBondContact O-N 3.14Å; T451-L454 PolarHBondContact O-N 3.22Å; T451-D455 PolarHBondContact O-N 3.01Å
452	R	91.4	Very high	92.2	Very high	210 Å²	210	73 Å²	73	79%	0.792	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65	-37.3	177.4	-68.1	-174.7	178.9	174.9	-0.3	113.9	Y450 L454 D455	Y450-R452 VanDerWaalsContact C-N 3.32Å; Y450-R452 PolarHBondContact O-N 3.44Å; R452-L454 PolarHBondContact O-N 3.13Å; R452-D455 WeakPolarHBondContact CA-OD2 3.02Å; R452-D455 PolarHBondContact O-N 3.31Å
453	A	92.2	Very high	92	Very high	44 Å²	44	75.2 Å²	75.2	36%	0.364	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-70.1	-20.9	-179.4	0	0	0	0	0	112.7	Y450 T451	Y450-A453 PolarHBondContact O-N 2.9Å; Y450-A453 VanDerWaalsContact O-N 3.1Å; T451-A453 PolarHBondContact O-N 3.14Å
454	L	92.8	Very high	91.6	Very high	0 Å²	0	78 Å²	78	0%	0	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-96.6	-7.2	178	-74.3	173.5	0	0	0	113.6	P219 P232 V234 Y450 T451 R452 D456 F457 Y458	P219-L454 HydrophobicContact CB-CD1 4.35Å; P219-L454 HydrophobicContact CB-CD2 3.97Å; P219-L454 HydrophobicContact CG-CD2 4.38Å; P232-L454 HydrophobicContact CB-CD1 3.68Å; P232-L454 HydrophobicContact CG-CD1 3.87Å; V234-L454 HydrophobicContact CG1-CD1 3.78Å; V234-L454 HydrophobicContact CG1-CD2 3.8Å; V234-L454 HydrophobicContact CG1-CG 3.7Å; Y450-L454 PolarHBondContact O-N 2.86Å; Y450-L454 VanDerWaalsContact O-N 3.1Å; T451-L454 PolarHBondContact O-N 3.22Å; R452-L454 PolarHBondContact O-N 3.13Å; L454-D456 VanDerWaalsContact C-N 3.32Å; L454-D456 PolarHBondContact O-N 2.89Å; L454-F457 HydrophobicContact CD2-CB 4.4Å; L454-F457 WeakPolarHBondContact O-CB 3.28Å; L454-F457 PolarHBondContact O-N 3.47Å; L454-F457 VanDerWaalsContact O-N 3.09Å; L454-Y458 HydrophobicContact CB-CD2 3.85Å; L454-Y458 HydrophobicContact CB-CE2 3.53Å; L454-Y458 HydrophobicContact CD1-CE2 4.08Å; L454-Y458 HydrophobicContact CG-CE2 4.37Å; L454-Y458 WeakPolarHBondContact O-CD2 3.19Å; L454-Y458 PolarHBondContact O-N 3.22Å
455	D	91.3	Very high	91.5	Very high	41 Å²	41	73.6 Å²	73.6	22%	0.219	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-43.4	-178.3	-69.5	-22.1	0	0	0	110.3	T451 R452 F457 Y458 D459 R469	T451-D455 PolarHBondContact O-N 3.01Å; R452-D455 WeakPolarHBondContact CA-OD2 3.02Å; R452-D455 PolarHBondContact O-N 3.31Å; D455-F457 VanDerWaalsContact C-N 3.26Å; D455-F457 PolarHBondContact O-N 3Å; D455-Y458 PolarHBondContact O-N 3.22Å; D455-Y458 VanDerWaalsContact O-N 3.11Å; D455-D459 WeakPolarHBondContact O-CB 3.46Å; D455-D459 VanDerWaalsContact O-CG 3.31Å; D455-D459 PolarHBondContact O-N 3.43Å; D455-R469 IonicContact OD1-CZ 2.69Å; D455-R469 IonicContact OD1-NH2 3.5Å; D455-R469 PolarHBondContact OD1-NH2 3.44Å
456	D	92.2	Very high	91.3	Very high	130 Å²	130	71.8 Å²	71.8	70%	0.695	34%	0.344	S	S	*	.	H	α-helix	trans	-56.7	-37.3	174.3	-67.3	-12.7	0	0	0	113.2	L454 K460	L454-D456 VanDerWaalsContact C-N 3.32Å; L454-D456 PolarHBondContact O-N 2.89Å; D456-K460 PolarHBondContact O-N 3.44Å
457	F	92.6	Very high	91	Very high	30 Å²	30	75.1 Å²	75.1	13%	0.132	37%	0.365	C	S	.	.	H	α-helix	trans	-70.1	-46.4	177.5	176	-87.2	0	0	0	110.8	Y218 P219 L454 D455 K460 Y461 F462	Y218-F457 HydrophobicContact CD2-CD2 4.04Å; Y218-F457 AromaticContact CD2-CE2 3.57Å; Y218-F457 HydrophobicContact CD2-CE2 3.57Å; Y218-F457 HydrophobicContact CD2-CZ 4.48Å; Y218-F457 HydrophobicContact CE2-CD2 4.44Å; Y218-F457 AromaticContact CE2-CE2 3.54Å; Y218-F457 HydrophobicContact CE2-CE2 3.54Å; Y218-F457 HydrophobicContact CE2-CZ 4.2Å; P219-F457 HydrophobicContact CG-CD1 3.89Å; P219-F457 HydrophobicContact CG-CE1 3.49Å; P219-F457 VanDerWaalsContact CG-CE1 3.49Å; P219-F457 HydrophobicContact CG-CE2 4.27Å; P219-F457 HydrophobicContact CG-CG 4.45Å; P219-F457 HydrophobicContact CG-CZ 3.71Å; L454-F457 HydrophobicContact CD2-CB 4.4Å; L454-F457 WeakPolarHBondContact O-CB 3.28Å; L454-F457 PolarHBondContact O-N 3.47Å; L454-F457 VanDerWaalsContact O-N 3.09Å; D455-F457 VanDerWaalsContact C-N 3.26Å; D455-F457 PolarHBondContact O-N 3Å; F457-K460 PolarHBondContact O-N 3.02Å; F457-Y461 HydrophobicContact CD1-CD2 4.39Å; F457-Y461 AromaticContact CD2-CD2 3.81Å; F457-Y461 HydrophobicContact CD2-CD2 3.81Å; F457-Y461 AromaticContact CD2-CE2 3.8Å; F457-Y461 HydrophobicContact CD2-CE2 3.8Å; F457-Y461 HydrophobicContact CE1-CD2 4.16Å; F457-Y461 AromaticContact CE2-CD2 3.55Å; F457-Y461 HydrophobicContact CE2-CD2 3.55Å; F457-Y461 AromaticContact CE2-CE2 3.53Å; F457-Y461 HydrophobicContact CE2-CE2 3.53Å; F457-Y461 HydrophobicContact CG-CD2 4.22Å; F457-Y461 AromaticContact CZ-CD2 3.74Å; F457-Y461 HydrophobicContact CZ-CD2 3.74Å; F457-Y461 HydrophobicContact CZ-CE2 4.14Å; F457-Y461 VanDerWaalsContact O-CD2 3.32Å; F457-Y461 WeakPolarHBondContact O-CD2 2.99Å; F457-Y461 PolarHBondContact O-N 3.11Å; F457-F462 HydrophobicContact CE1-CE2 4.48Å
458	Y	92.4	Very high	90.5	Very high	15 Å²	15	73.9 Å²	73.9	6%	0.059	36%	0.363	C	S	.	.	H	α-helix	trans	-69.1	-38.2	179.8	-68	-56.7	0	0	0	111.8	L454 D455 K460 Y461 F462 F465 V466	L454-Y458 HydrophobicContact CB-CD2 3.85Å; L454-Y458 HydrophobicContact CB-CE2 3.53Å; L454-Y458 HydrophobicContact CD1-CE2 4.08Å; L454-Y458 HydrophobicContact CG-CE2 4.37Å; L454-Y458 WeakPolarHBondContact O-CD2 3.19Å; L454-Y458 PolarHBondContact O-N 3.22Å; D455-Y458 PolarHBondContact O-N 3.22Å; D455-Y458 VanDerWaalsContact O-N 3.11Å; Y458-K460 PolarHBondContact O-N 2.68Å; Y458-Y461 PolarHBondContact O-N 3.09Å; Y458-F462 HydrophobicContact CD1-CB 4.47Å; Y458-F462 HydrophobicContact CD1-CD2 4.25Å; Y458-F462 CarbonylContact O-C 3.4Å; Y458-F462 WeakPolarHBondContact O-CA 3.26Å; Y458-F462 PolarHBondContact O-N 2.89Å; Y458-F462 VanDerWaalsContact O-O 3.06Å; Y458-F465 AromaticContact CD1-CD1 3.55Å; Y458-F465 HydrophobicContact CD1-CD1 3.55Å; Y458-F465 HydrophobicContact CD1-CE1 4.09Å; Y458-F465 HydrophobicContact CD1-CG 4.36Å; Y458-F465 AromaticContact CD2-CD1 3.99Å; Y458-F465 HydrophobicContact CD2-CD1 3.99Å; Y458-F465 HydrophobicContact CD2-CE1 4.2Å; Y458-F465 AromaticContact CE1-CD1 3.72Å; Y458-F465 HydrophobicContact CE1-CD1 3.72Å; Y458-F465 AromaticContact CE1-CE1 3.79Å; Y458-F465 HydrophobicContact CE1-CE1 3.79Å; Y458-F465 HydrophobicContact CE2-CD1 4.13Å; Y458-F465 AromaticContact CE2-CE1 3.88Å; Y458-F465 HydrophobicContact CE2-CE1 3.88Å; Y458-F465 AromaticContact CG-CD1 3.71Å; Y458-F465 HydrophobicContact CG-CD1 3.71Å; Y458-F465 HydrophobicContact CG-CE1 4.3Å; Y458-F465 AromaticContact CZ-CE1 3.68Å; Y458-V466 HydrophobicContact CD2-CG2 4.4Å; Y458-V466 HydrophobicContact CG-CG2 4.46Å
459	D	91.6	Very high	90.1	Very high	95 Å²	95	74.5 Å²	74.5	51%	0.508	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-34	176.9	-72.6	-13.4	0	0	0	111.9	D455	D455-D459 WeakPolarHBondContact O-CB 3.46Å; D455-D459 VanDerWaalsContact O-CG 3.31Å; D455-D459 PolarHBondContact O-N 3.43Å
460	K	93.7	Very high	89.6	Confident	151 Å²	151	72.7 Å²	72.7	66%	0.657	36%	0.362	S	S	*	.	H	α-helix	trans	-73.6	-42.7	178	-175.7	176.8	178.1	-176.7	0	113.6	D456 F457 Y458	D456-K460 PolarHBondContact O-N 3.44Å; F457-K460 PolarHBondContact O-N 3.02Å; Y458-K460 PolarHBondContact O-N 2.68Å
461	Y	90.5	Very high	89	Confident	124 Å²	124	75.2 Å²	75.2	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-107.7	-29.6	-171	-64.6	-71.3	0	0	0	114.1	F457 Y458	F457-Y461 HydrophobicContact CD1-CD2 4.39Å; F457-Y461 AromaticContact CD2-CD2 3.81Å; F457-Y461 HydrophobicContact CD2-CD2 3.81Å; F457-Y461 AromaticContact CD2-CE2 3.8Å; F457-Y461 HydrophobicContact CD2-CE2 3.8Å; F457-Y461 HydrophobicContact CE1-CD2 4.16Å; F457-Y461 AromaticContact CE2-CD2 3.55Å; F457-Y461 HydrophobicContact CE2-CD2 3.55Å; F457-Y461 AromaticContact CE2-CE2 3.53Å; F457-Y461 HydrophobicContact CE2-CE2 3.53Å; F457-Y461 HydrophobicContact CG-CD2 4.22Å; F457-Y461 AromaticContact CZ-CD2 3.74Å; F457-Y461 HydrophobicContact CZ-CD2 3.74Å; F457-Y461 HydrophobicContact CZ-CE2 4.14Å; F457-Y461 VanDerWaalsContact O-CD2 3.32Å; F457-Y461 WeakPolarHBondContact O-CD2 2.99Å; F457-Y461 PolarHBondContact O-N 3.11Å; Y458-Y461 PolarHBondContact O-N 3.09Å
462	F	89.3	Confident	88.5	Confident	119 Å²	119	73.8 Å²	73.8	52%	0.522	37%	0.365	S	S	.	.			trans	-144.4	64.5	-172.4	-56.3	-74.5	0	0	0	111.8	F457 Y458 D464 F465	F457-F462 HydrophobicContact CE1-CE2 4.48Å; Y458-F462 HydrophobicContact CD1-CB 4.47Å; Y458-F462 HydrophobicContact CD1-CD2 4.25Å; Y458-F462 CarbonylContact O-C 3.4Å; Y458-F462 WeakPolarHBondContact O-CA 3.26Å; Y458-F462 PolarHBondContact O-N 2.89Å; Y458-F462 VanDerWaalsContact O-O 3.06Å; F462-D464 PolarHBondContact O-N 3.27Å; F462-D464 VanDerWaalsContact O-N 3.14Å; F462-F465 HydrophobicContact CB-CB 3.89Å; F462-F465 WeakPolarHBondContact O-CB 3.3Å; F462-F465 PolarHBondContact O-N 3.35Å
463	P	86.8	Confident	87.5	Confident	75 Å²	75	68.9 Å²	68.9	49%	0.487	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.7	-170.8	22.5	-34.4	0	0	0	113.8	F465	P463-F465 VanDerWaalsContact C-N 3.25Å; P463-F465 PolarHBondContact O-N 3.14Å
464	D	84.6	Confident	86.2	Confident	122 Å²	122	72.6 Å²	72.6	65%	0.652	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.7	179.1	-60.7	-43.7	0	0	0	113.3	F462 P467 L468	F462-D464 PolarHBondContact O-N 3.27Å; F462-D464 VanDerWaalsContact O-N 3.14Å; D464-P467 WeakPolarHBondContact O-CD 3.48Å; D464-L468 HydrophobicContact CB-CD1 4.31Å; D464-L468 WeakPolarHBondContact O-CD1 3.41Å; D464-L468 WeakPolarHBondContact O-CG 3.35Å; D464-L468 PolarHBondContact O-N 3.45Å
465	F	87.7	Confident	84.3	Confident	50 Å²	50	76.9 Å²	76.9	22%	0.219	38%	0.381	C	S	.	.	H	α-helix	trans	-69.1	-40.4	-170	178.1	-108.4	0	0	0	113.3	A229 Y458 F462 P463 L468 R469	A229-F465 HydrophobicContact CB-CE2 4.22Å; A229-F465 HydrophobicContact CB-CZ 4.13Å; Y458-F465 AromaticContact CD1-CD1 3.55Å; Y458-F465 HydrophobicContact CD1-CD1 3.55Å; Y458-F465 HydrophobicContact CD1-CE1 4.09Å; Y458-F465 HydrophobicContact CD1-CG 4.36Å; Y458-F465 AromaticContact CD2-CD1 3.99Å; Y458-F465 HydrophobicContact CD2-CD1 3.99Å; Y458-F465 HydrophobicContact CD2-CE1 4.2Å; Y458-F465 AromaticContact CE1-CD1 3.72Å; Y458-F465 HydrophobicContact CE1-CD1 3.72Å; Y458-F465 AromaticContact CE1-CE1 3.79Å; Y458-F465 HydrophobicContact CE1-CE1 3.79Å; Y458-F465 HydrophobicContact CE2-CD1 4.13Å; Y458-F465 AromaticContact CE2-CE1 3.88Å; Y458-F465 HydrophobicContact CE2-CE1 3.88Å; Y458-F465 AromaticContact CG-CD1 3.71Å; Y458-F465 HydrophobicContact CG-CD1 3.71Å; Y458-F465 HydrophobicContact CG-CE1 4.3Å; Y458-F465 AromaticContact CZ-CE1 3.68Å; F462-F465 HydrophobicContact CB-CB 3.89Å; F462-F465 WeakPolarHBondContact O-CB 3.3Å; F462-F465 PolarHBondContact O-N 3.35Å; P463-F465 VanDerWaalsContact C-N 3.25Å; P463-F465 PolarHBondContact O-N 3.14Å; F465-L468 PolarHBondContact O-N 3.26Å; F465-R469 HydrophobicContact CE1-CB 4.49Å; F465-R469 HydrophobicContact CZ-CB 4.33Å; F465-R469 WeakPolarHBondContact O-CB 3.11Å; F465-R469 PolarHBondContact O-N 3.08Å
466	V	86.9	Confident	82.6	Confident	25 Å²	25	78.2 Å²	78.2	15%	0.152	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-46.4	-176.7	176.5	0	0	0	0	112.2	Y458 L468 R469 T470	Y458-V466 HydrophobicContact CD2-CG2 4.4Å; Y458-V466 HydrophobicContact CG-CG2 4.46Å; V466-L468 VanDerWaalsContact C-N 3.32Å; V466-L468 PolarHBondContact O-N 3.3Å; V466-R469 PolarHBondContact O-N 2.94Å; V466-T470 PolarHBondContact O-N 3.44Å; V466-T470 VanDerWaalsContact O-N 3.14Å; V466-T470 PolarHBondContact O-OG1 3.45Å
467	P	86.1	Confident	80.5	Confident	75 Å²	75	74.3 Å²	74.3	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-58.5	-42.2	171	-24.9	32.8	0	0	0	113	D464 T470 K471	D464-P467 WeakPolarHBondContact O-CD 3.48Å; P467-T470 PolarHBondContact O-N 2.96Å; P467-K471 PolarHBondContact O-N 2.83Å; P467-K471 VanDerWaalsContact O-N 3.08Å
468	L	85.3	Confident	78.6	Confident	42 Å²	42	76.1 Å²	76.1	22%	0.22	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-49.3	179.6	-66.9	171.3	0	0	0	110.9	D464 F465 V466 T470 K471 V472 A480 I483	D464-L468 HydrophobicContact CB-CD1 4.31Å; D464-L468 WeakPolarHBondContact O-CD1 3.41Å; D464-L468 WeakPolarHBondContact O-CG 3.35Å; D464-L468 PolarHBondContact O-N 3.45Å; F465-L468 PolarHBondContact O-N 3.26Å; V466-L468 VanDerWaalsContact C-N 3.32Å; V466-L468 PolarHBondContact O-N 3.3Å; L468-T470 PolarHBondContact O-N 3.1Å; L468-K471 CarbonylContact O-C 3.59Å; L468-K471 WeakPolarHBondContact O-CA 3.39Å; L468-K471 WeakPolarHBondContact O-CB 3.47Å; L468-K471 PolarHBondContact O-N 2.8Å; L468-V472 WeakPolarHBondContact O-CG2 3.39Å; L468-V472 PolarHBondContact O-N 3.39Å; L468-A480 HydrophobicContact CD1-CB 3.82Å; L468-A480 HydrophobicContact CD2-CB 4.38Å; L468-I483 HydrophobicContact CB-CD1 3.75Å; L468-I483 HydrophobicContact CD2-CB 4.2Å; L468-I483 HydrophobicContact CD2-CD1 3.41Å; L468-I483 VanDerWaalsContact CD2-CD1 3.41Å; L468-I483 HydrophobicContact CD2-CG1 4.43Å; L468-I483 HydrophobicContact CD2-CG2 4.08Å; L468-I483 HydrophobicContact CG-CD1 4.13Å
469	R	85.3	Confident	77.1	Confident	27 Å²	27	78 Å²	78	10%	0.102	39%	0.392	C	S	.	.	H	α-helix	trans	-52.7	-44	175.9	-179.1	-177.6	68.2	-166.2	-3.2	111.6	A229 D455 F465 V466 V472 H473	A229-R469 VanDerWaalsContact O-CD 3.3Å; A229-R469 WeakPolarHBondContact O-CD 3.25Å; D455-R469 IonicContact OD1-CZ 2.69Å; D455-R469 IonicContact OD1-NH2 3.5Å; D455-R469 PolarHBondContact OD1-NH2 3.44Å; F465-R469 HydrophobicContact CE1-CB 4.49Å; F465-R469 HydrophobicContact CZ-CB 4.33Å; F465-R469 WeakPolarHBondContact O-CB 3.11Å; F465-R469 PolarHBondContact O-N 3.08Å; V466-R469 PolarHBondContact O-N 2.94Å; R469-V472 PolarHBondContact O-N 3.46Å; R469-H473 WeakPolarHBondContact O-CB 3.48Å; R469-H473 PolarHBondContact O-N 3.1Å
470	T	84.2	Confident	75.9	Confident	75 Å²	75	76 Å²	76	46%	0.46	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-41.7	178.8	-54.6	0	0	0	0	111.7	V466 P467 L468 H473 N474	V466-T470 PolarHBondContact O-N 3.44Å; V466-T470 VanDerWaalsContact O-N 3.14Å; V466-T470 PolarHBondContact O-OG1 3.45Å; P467-T470 PolarHBondContact O-N 2.96Å; L468-T470 PolarHBondContact O-N 3.1Å; T470-H473 PolarHBondContact O-N 3.26Å; T470-N474 PolarHBondContact O-N 3.47Å; T470-N474 PolarHBondContact O-ND2 3.45Å
471	K	81.3	Confident	74.9	Confident	88 Å²	88	69.5 Å²	69.5	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-41.3	172.5	-72.2	-177.4	177.3	-176.9	0	112.2	P467 L468 N474 R475 I483 D487	P467-K471 PolarHBondContact O-N 2.83Å; P467-K471 VanDerWaalsContact O-N 3.08Å; L468-K471 CarbonylContact O-C 3.59Å; L468-K471 WeakPolarHBondContact O-CA 3.39Å; L468-K471 WeakPolarHBondContact O-CB 3.47Å; L468-K471 PolarHBondContact O-N 2.8Å; K471-N474 PolarHBondContact O-N 3.38Å; K471-R475 PolarHBondContact O-N 3.17Å; K471-I483 HydrophobicContact CB-CD1 4.44Å; K471-I483 HydrophobicContact CB-CG2 4.4Å; K471-I483 HydrophobicContact CD-CG2 3.61Å; K471-D487 IonicContact NZ-OD2 3.53Å; K471-D487 PolarHBondContact NZ-OD2 3.31Å
472	V	79.9	Confident	74.4	Confident	11 Å²	11	67.4 Å²	67.4	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-45.7	176.3	-176	0	0	0	0	110.5	L230 L468 R469 N474 R475 L476 L477 I483	L230-V472 HydrophobicContact CD2-CB 4.13Å; L230-V472 HydrophobicContact CD2-CG1 3.78Å; L468-V472 WeakPolarHBondContact O-CG2 3.39Å; L468-V472 PolarHBondContact O-N 3.39Å; R469-V472 PolarHBondContact O-N 3.46Å; V472-N474 PolarHBondContact O-N 2.92Å; V472-R475 PolarHBondContact O-N 2.96Å; V472-L476 WeakPolarHBondContact O-CA 3.43Å; V472-L476 PolarHBondContact O-N 3.47Å; V472-L477 VanDerWaalsContact CG1-O 3.31Å; V472-L477 WeakPolarHBondContact CG1-O 3.49Å; V472-L477 WeakPolarHBondContact CG2-O 3.33Å; V472-I483 HydrophobicContact CG2-CD1 3.74Å; V472-I483 HydrophobicContact CG2-CG1 4.45Å
473	H	71.2	Confident	74	Confident	107 Å²	107	62.1 Å²	62.1	50%	0.495	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-38.3	-177.4	-166.9	75.5	0	0	0	111.7	R469 T470	R469-H473 WeakPolarHBondContact O-CB 3.48Å; R469-H473 PolarHBondContact O-N 3.1Å; T470-H473 PolarHBondContact O-N 3.26Å
474	N	65.1	Low	73.8	Confident	123 Å²	123	59 Å²	59	66%	0.658	31%	0.312	S	S	*	.	H	α-helix	trans	-75	-25.3	179.3	-68.6	-23.9	0	0	0	114.2	T470 K471 V472	T470-N474 PolarHBondContact O-N 3.47Å; T470-N474 PolarHBondContact O-ND2 3.45Å; K471-N474 PolarHBondContact O-N 3.38Å; V472-N474 PolarHBondContact O-N 2.92Å
475	R	53.1	Low	74	Confident	89 Å²	89	54.2 Å²	54.2	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-131.8	-3.2	-169.1	-66.4	179.5	174.5	155	-6.8	115.9	K471 V472 L477 Y486 D487 R490	K471-R475 PolarHBondContact O-N 3.17Å; V472-R475 PolarHBondContact O-N 2.96Å; R475-L477 VanDerWaalsContact C-N 3.31Å; R475-L477 HydrophobicContact CB-CD1 3.94Å; R475-L477 HydrophobicContact CB-CG 4.44Å; R475-L477 PolarHBondContact O-N 3.24Å; R475-Y486 VanDerWaalsContact CD-CZ 3.47Å; R475-Y486 VanDerWaalsContact CZ-OH 3.25Å; R475-Y486 PolarHBondContact NE-OH 3.37Å; R475-Y486 VanDerWaalsContact NE-OH 3.09Å; R475-Y486 PolarHBondContact NH2-OH 2.92Å; R475-D487 IonicContact NH1-OD1 3.59Å; R475-R490 VanDerWaalsContact NH2-NH1 3.13Å
476	L	55.1	Low	73.9	Confident	69 Å²	69	55.3 Å²	55.3	36%	0.361	29%	0.288	S	S	.	.			trans	55.5	34.1	-178.8	-59.2	169.1	0	0	0	115.3	W443 V472	W443-L476 HydrophobicContact CB-CD2 4.2Å; W443-L476 HydrophobicContact CD2-CD2 4.44Å; W443-L476 HydrophobicContact CG-CD2 3.73Å; V472-L476 WeakPolarHBondContact O-CA 3.43Å; V472-L476 PolarHBondContact O-N 3.47Å
477	L	47.1	Very low	74	Confident	49 Å²	49	56.3 Å²	56.3	26%	0.257	29%	0.293	S	S	.	.			trans	-101.9	117.6	179.2	-70.4	158	0	0	0	111.4	V472 R475 Y486	V472-L477 VanDerWaalsContact CG1-O 3.31Å; V472-L477 WeakPolarHBondContact CG1-O 3.49Å; V472-L477 WeakPolarHBondContact CG2-O 3.33Å; R475-L477 VanDerWaalsContact C-N 3.31Å; R475-L477 HydrophobicContact CB-CD1 3.94Å; R475-L477 HydrophobicContact CB-CG 4.44Å; R475-L477 PolarHBondContact O-N 3.24Å; L477-Y486 HydrophobicContact CD1-CD1 4.3Å; L477-Y486 HydrophobicContact CD1-CD2 3.32Å; L477-Y486 HydrophobicContact CD1-CE2 4.08Å; L477-Y486 HydrophobicContact CD1-CG 3.43Å; L477-Y486 VanDerWaalsContact CD1-CG 3.43Å
478	Y	53.8	Low	74.1	Confident	67 Å²	67	54.2 Å²	54.2	26%	0.263	28%	0.277	S	S	.	.			trans	-88.6	139.4	-177.2	-73.5	-85.7	0	0	0	113.7	I226 L230 R482	I226-Y478 VanDerWaalsContact CD1-OH 3.27Å; I226-Y478 WeakPolarHBondContact CD1-OH 3.25Å; I226-Y478 WeakPolarHBondContact CG1-OH 3.46Å; L230-Y478 HydrophobicContact CD1-CE1 4.21Å; L230-Y478 WeakPolarHBondContact CD1-OH 3.44Å; L230-Y478 HydrophobicContact CG-CE1 4.42Å; Y478-R482 WeakPolarHBondContact O-CB 3.46Å; Y478-R482 WeakPolarHBondContact O-CD 3.49Å; Y478-R482 WeakPolarHBondContact O-CG 3.14Å
479	A	60.4	Low	74.3	Confident	55 Å²	55	52.6 Å²	52.6	46%	0.455	27%	0.27	S	S	.	.	S	Bend	trans	79.2	145.5	176	0	0	0	0	0	116.2	C481 R482 I483 M522	A479-C481 VanDerWaalsContact C-N 3.31Å; A479-C481 PolarHBondContact O-N 2.81Å; A479-R482 PolarHBondContact O-N 3.35Å; A479-I483 PolarHBondContact O-N 3.31Å; A479-M522 HydrophobicContact CB-CE 4.39Å
480	A	67.2	Low	74.4	Confident	53 Å²	53	56.2 Å²	56.2	44%	0.438	28%	0.283	S	S	.	.	H	α-helix	trans	-53.6	-45.1	-178.4	0	0	0	0	0	112.2	L468 R482 I483 G484	L468-A480 HydrophobicContact CD1-CB 3.82Å; L468-A480 HydrophobicContact CD2-CB 4.38Å; A480-R482 VanDerWaalsContact C-N 3.31Å; A480-R482 PolarHBondContact O-N 3.32Å; A480-I483 PolarHBondContact O-N 2.98Å; A480-G484 PolarHBondContact O-N 3.06Å
481	C	72.3	Confident	74.7	Confident	14 Å²	14	58.8 Å²	58.8	10%	0.095	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-34.7	177.6	-53.5	0	0	0	0	113	A479 F485 L519 M522	A479-C481 VanDerWaalsContact C-N 3.31Å; A479-C481 PolarHBondContact O-N 2.81Å; C481-F485 WeakPolarHBondContact O-CB 3.37Å; C481-F485 PolarHBondContact O-N 2.81Å; C481-L519 HydrophobicContact CB-CD2 3.65Å; C481-M522 HydrophobicContact CB-CE 4.28Å; C481-M522 HydrophobicContact CB-SD 4.06Å
482	R	78.9	Confident	75	Confident	81 Å²	81	54.6 Å²	54.6	31%	0.306	27%	0.272	S	S	.	.	H	α-helix	trans	-76.4	-34.2	177	-59.1	-163	-171.8	173.1	-8.5	112.4	Y478 A479 A480 G484 Y486 L519 M522	Y478-R482 WeakPolarHBondContact O-CB 3.46Å; Y478-R482 WeakPolarHBondContact O-CD 3.49Å; Y478-R482 WeakPolarHBondContact O-CG 3.14Å; A479-R482 PolarHBondContact O-N 3.35Å; A480-R482 VanDerWaalsContact C-N 3.31Å; A480-R482 PolarHBondContact O-N 3.32Å; R482-G484 VanDerWaalsContact C-N 3.34Å; R482-Y486 WeakPolarHBondContact O-CB 3.32Å; R482-Y486 PolarHBondContact O-N 3Å; R482-L519 HydrophobicContact CG-CD2 4.36Å; R482-L519 PolarHBondContact NH2-O 3.45Å; R482-L519 VanDerWaalsContact NH2-O 3.1Å; R482-M522 HydrophobicContact CG-CE 3.92Å
483	I	80.9	Confident	75.5	Confident	7 Å²	7	57 Å²	57	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-44	171.3	-66.7	164.4	0	0	0	109.4	L468 K471 V472 A479 A480 Y486 D487	L468-I483 HydrophobicContact CB-CD1 3.75Å; L468-I483 HydrophobicContact CD2-CB 4.2Å; L468-I483 HydrophobicContact CD2-CD1 3.41Å; L468-I483 VanDerWaalsContact CD2-CD1 3.41Å; L468-I483 HydrophobicContact CD2-CG1 4.43Å; L468-I483 HydrophobicContact CD2-CG2 4.08Å; L468-I483 HydrophobicContact CG-CD1 4.13Å; K471-I483 HydrophobicContact CB-CD1 4.44Å; K471-I483 HydrophobicContact CB-CG2 4.4Å; K471-I483 HydrophobicContact CD-CG2 3.61Å; V472-I483 HydrophobicContact CG2-CD1 3.74Å; V472-I483 HydrophobicContact CG2-CG1 4.45Å; A479-I483 PolarHBondContact O-N 3.31Å; A480-I483 PolarHBondContact O-N 2.98Å; I483-Y486 WeakPolarHBondContact O-CB 3Å; I483-Y486 PolarHBondContact O-N 2.98Å; I483-D487 PolarHBondContact O-N 3.07Å
484	G	83.1	Confident	76.3	Confident	10 Å²	10	57.3 Å²	57.3	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-48.9	173.9	0	0	0	0	0	112	A480 R482 Y486 D487 M488	A480-G484 PolarHBondContact O-N 3.06Å; R482-G484 VanDerWaalsContact C-N 3.34Å; G484-Y486 VanDerWaalsContact C-N 3.29Å; G484-Y486 PolarHBondContact O-N 3.35Å; G484-D487 PolarHBondContact O-N 2.98Å; G484-M488 WeakPolarHBondContact O-CB 3.26Å; G484-M488 VanDerWaalsContact O-CG 3.28Å; G484-M488 WeakPolarHBondContact O-CG 3.48Å; G484-M488 PolarHBondContact O-N 2.92Å
485	F	88.2	Confident	77.4	Confident	21 Å²	21	55 Å²	55	9%	0.092	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-45.3	174	-177.7	-92	0	0	0	111.8	C481 A489 W505 I508 M512 I515 M516 L519 M546 F550	C481-F485 WeakPolarHBondContact O-CB 3.37Å; C481-F485 PolarHBondContact O-N 2.81Å; F485-A489 HydrophobicContact CE1-CB 4.39Å; F485-A489 WeakPolarHBondContact O-CB 3.16Å; F485-A489 PolarHBondContact O-N 3.37Å; F485-W505 AromaticContact CE1-CH2 3.88Å; F485-W505 HydrophobicContact CE1-CH2 3.88Å; F485-W505 AromaticContact CE1-CZ3 3.95Å; F485-W505 HydrophobicContact CE1-CZ3 3.95Å; F485-W505 HydrophobicContact CZ-CH2 4.28Å; F485-W505 HydrophobicContact CZ-CZ3 4.26Å; F485-I508 HydrophobicContact CZ-CG2 4.04Å; F485-M512 HydrophobicContact CE2-CB 4.26Å; F485-M512 HydrophobicContact CE2-CG 4.44Å; F485-I515 HydrophobicContact CD2-CG2 4.39Å; F485-M516 HydrophobicContact CE1-CE 4.1Å; F485-M516 HydrophobicContact CE2-CE 4.47Å; F485-M516 HydrophobicContact CZ-CE 3.54Å; F485-M516 HydrophobicContact CZ-CG 4.37Å; F485-L519 HydrophobicContact CB-CD1 3.97Å; F485-L519 HydrophobicContact CD2-CD1 3.88Å; F485-L519 HydrophobicContact CG-CD1 3.89Å; F485-M546 WeakPolarHBondContact CA-SD 3.46Å; F485-M546 HydrophobicContact CB-SD 3.5Å; F485-M546 WeakPolarHBondContact CB-SD 3.27Å; F485-M546 HydrophobicContact CD2-CG 4.26Å; F485-M546 HydrophobicContact CD2-SD 3.82Å; F485-M546 HydrophobicContact CG-SD 4.17Å; F485-F550 AromaticContact CD2-CE2 3.76Å; F485-F550 HydrophobicContact CD2-CE2 3.76Å; F485-F550 AromaticContact CD2-CZ 3.95Å; F485-F550 HydrophobicContact CD2-CZ 3.95Å; F485-F550 AromaticContact CE2-CE2 3.89Å; F485-F550 HydrophobicContact CE2-CE2 3.89Å; F485-F550 AromaticContact CE2-CZ 3.71Å; F485-F550 HydrophobicContact CE2-CZ 3.71Å; F485-F550 HydrophobicContact CZ-CZ 4.17Å
486	Y	87.1	Confident	79	Confident	74 Å²	74	51.7 Å²	51.7	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-46.5	179.1	175.5	-81	0	0	0	112.2	R475 L477 R482 I483 G484 A489 R490	R475-Y486 VanDerWaalsContact CD-CZ 3.47Å; R475-Y486 VanDerWaalsContact CZ-OH 3.25Å; R475-Y486 PolarHBondContact NE-OH 3.37Å; R475-Y486 VanDerWaalsContact NE-OH 3.09Å; R475-Y486 PolarHBondContact NH2-OH 2.92Å; L477-Y486 HydrophobicContact CD1-CD1 4.3Å; L477-Y486 HydrophobicContact CD1-CD2 3.32Å; L477-Y486 HydrophobicContact CD1-CE2 4.08Å; L477-Y486 HydrophobicContact CD1-CG 3.43Å; L477-Y486 VanDerWaalsContact CD1-CG 3.43Å; R482-Y486 WeakPolarHBondContact O-CB 3.32Å; R482-Y486 PolarHBondContact O-N 3Å; I483-Y486 WeakPolarHBondContact O-CB 3Å; I483-Y486 PolarHBondContact O-N 2.98Å; G484-Y486 VanDerWaalsContact C-N 3.29Å; G484-Y486 PolarHBondContact O-N 3.35Å; Y486-A489 PolarHBondContact O-N 2.77Å; Y486-R490 HydrophobicContact CE1-CB 4.21Å; Y486-R490 VanDerWaalsContact O-CB 3.24Å; Y486-R490 WeakPolarHBondContact O-CB 3.42Å; Y486-R490 PolarHBondContact O-N 3.49Å
487	D	87.5	Confident	80.3	Confident	46 Å²	46	51.8 Å²	51.8	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-40.5	-177.9	-74.7	-23.2	0	0	0	110.5	K471 R475 I483 G484 R490 Q491	K471-D487 IonicContact NZ-OD2 3.53Å; K471-D487 PolarHBondContact NZ-OD2 3.31Å; R475-D487 IonicContact NH1-OD1 3.59Å; I483-D487 PolarHBondContact O-N 3.07Å; G484-D487 PolarHBondContact O-N 2.98Å; D487-R490 PolarHBondContact O-N 3.27Å; D487-Q491 WeakPolarHBondContact O-CB 3.04Å; D487-Q491 PolarHBondContact O-N 3.38Å
488	M	88.5	Confident	81.9	Confident	30 Å²	30	58.7 Å²	58.7	15%	0.148	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-45.6	173.6	-67.3	175.9	-162.3	0	0	112.3	G484 R490 Q491 A492 Y543 M546 Q547 F550	G484-M488 WeakPolarHBondContact O-CB 3.26Å; G484-M488 VanDerWaalsContact O-CG 3.28Å; G484-M488 WeakPolarHBondContact O-CG 3.48Å; G484-M488 PolarHBondContact O-N 2.92Å; M488-R490 VanDerWaalsContact C-N 3.3Å; M488-R490 PolarHBondContact O-N 2.93Å; M488-Q491 PolarHBondContact O-N 3.35Å; M488-A492 WeakPolarHBondContact O-CB 3.46Å; M488-A492 PolarHBondContact O-N 2.91Å; M488-Y543 HydrophobicContact CE-CD2 4.49Å; M488-Y543 HydrophobicContact CE-CE2 3.65Å; M488-Y543 WeakPolarHBondContact CE-OH 3.26Å; M488-M546 HydrophobicContact CE-CE 3.68Å; M488-M546 HydrophobicContact SD-CE 3.73Å; M488-M546 HydrophobicContact SD-CG 4.1Å; M488-M546 HydrophobicContact SD-SD 4.49Å; M488-Q547 HydrophobicContact CE-CG 3.42Å; M488-Q547 VanDerWaalsContact CE-CG 3.42Å; M488-Q547 HydrophobicContact SD-CG 4.03Å; M488-F550 HydrophobicContact CB-CD1 4.25Å; M488-F550 HydrophobicContact CB-CD2 3.57Å; M488-F550 HydrophobicContact CB-CE1 4.3Å; M488-F550 HydrophobicContact CB-CE2 3.61Å; M488-F550 HydrophobicContact CB-CG 3.92Å; M488-F550 HydrophobicContact CB-CZ 3.99Å; M488-F550 HydrophobicContact CG-CD2 4.24Å; M488-F550 HydrophobicContact SD-CD2 3.72Å; M488-F550 HydrophobicContact SD-CE2 4.23Å
489	A	89.8	Confident	83.1	Confident	9 Å²	9	58 Å²	58	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-40.4	176.5	0	0	0	0	0	111.8	F485 Y486 V493 I508 F550	F485-A489 HydrophobicContact CE1-CB 4.39Å; F485-A489 WeakPolarHBondContact O-CB 3.16Å; F485-A489 PolarHBondContact O-N 3.37Å; Y486-A489 PolarHBondContact O-N 2.77Å; A489-V493 VanDerWaalsContact O-CG2 3.25Å; A489-V493 WeakPolarHBondContact O-CG2 2.96Å; A489-V493 PolarHBondContact O-N 3.1Å; A489-V493 VanDerWaalsContact O-N 3.16Å; A489-I508 HydrophobicContact CB-CD1 4.28Å; A489-F550 HydrophobicContact CB-CE1 4.07Å; A489-F550 HydrophobicContact CB-CZ 3.9Å
490	R	88.8	Confident	83.8	Confident	103 Å²	103	63.5 Å²	63.5	39%	0.389	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-46.8	175.5	-179.7	-179.7	176	-151.6	-4.7	111.1	R475 Y486 D487 M488 A492 V493 E494	R475-R490 VanDerWaalsContact NH2-NH1 3.13Å; Y486-R490 HydrophobicContact CE1-CB 4.21Å; Y486-R490 VanDerWaalsContact O-CB 3.24Å; Y486-R490 WeakPolarHBondContact O-CB 3.42Å; Y486-R490 PolarHBondContact O-N 3.49Å; D487-R490 PolarHBondContact O-N 3.27Å; M488-R490 VanDerWaalsContact C-N 3.3Å; M488-R490 PolarHBondContact O-N 2.93Å; R490-A492 PolarHBondContact O-N 3.04Å; R490-V493 PolarHBondContact O-N 3.21Å; R490-E494 HydrophobicContact CG-CG 4.27Å; R490-E494 IonicContact CZ-OE1 3.64Å; R490-E494 VanDerWaalsContact CZ-OE1 3.25Å; R490-E494 IonicContact CZ-OE2 2.87Å; R490-E494 IonicContact NE-OE1 2.7Å; R490-E494 PolarHBondContact NE-OE1 2.79Å; R490-E494 IonicContact NE-OE2 3.41Å; R490-E494 IonicContact NH2-OE1 3.55Å; R490-E494 PolarHBondContact NH2-OE1 3.27Å; R490-E494 IonicContact NH2-OE2 3.48Å; R490-E494 WeakPolarHBondContact O-CB 3.38Å; R490-E494 WeakPolarHBondContact O-CG 3.5Å; R490-E494 PolarHBondContact O-N 3.18Å
491	Q	89.4	Confident	84.3	Confident	128 Å²	128	68 Å²	68	60%	0.598	36%	0.356	S	S	*	.	H	α-helix	trans	-60	-45.6	179	-177.4	175.6	-9.1	0	0	111.5	D487 M488 V493 E494 S495	D487-Q491 WeakPolarHBondContact O-CB 3.04Å; D487-Q491 PolarHBondContact O-N 3.38Å; M488-Q491 PolarHBondContact O-N 3.35Å; Q491-V493 VanDerWaalsContact C-N 3.33Å; Q491-V493 PolarHBondContact O-N 3.24Å; Q491-E494 PolarHBondContact O-N 3.05Å; Q491-S495 VanDerWaalsContact O-CB 3.26Å; Q491-S495 WeakPolarHBondContact O-CB 3.32Å; Q491-S495 PolarHBondContact O-N 3.5Å; Q491-S495 PolarHBondContact O-OG 2.68Å
492	A	88.2	Confident	84.9	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.008	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-37.1	178.3	0	0	0	0	0	112.9	M488 R490 S495 T496 I503 F550	M488-A492 WeakPolarHBondContact O-CB 3.46Å; M488-A492 PolarHBondContact O-N 2.91Å; R490-A492 PolarHBondContact O-N 3.04Å; A492-S495 PolarHBondContact O-OG 3.3Å; A492-S495 VanDerWaalsContact O-OG 3.13Å; A492-T496 WeakPolarHBondContact O-CG2 3.36Å; A492-T496 PolarHBondContact O-N 2.85Å; A492-T496 PolarHBondContact O-OG1 3.17Å; A492-I503 HydrophobicContact CB-CD1 4.34Å; A492-F550 HydrophobicContact CB-CD1 4.39Å
493	V	89.3	Confident	85.2	Confident	62 Å²	62	72.9 Å²	72.9	38%	0.376	37%	0.374	S	S	.	.	H	α-helix	trans	-75.1	-39.2	177.1	174.3	0	0	0	0	111.6	A489 R490 Q491 A497 I508	A489-V493 VanDerWaalsContact O-CG2 3.25Å; A489-V493 WeakPolarHBondContact O-CG2 2.96Å; A489-V493 PolarHBondContact O-N 3.1Å; A489-V493 VanDerWaalsContact O-N 3.16Å; R490-V493 PolarHBondContact O-N 3.21Å; Q491-V493 VanDerWaalsContact C-N 3.33Å; Q491-V493 PolarHBondContact O-N 3.24Å; V493-A497 PolarHBondContact O-N 2.82Å; V493-I508 HydrophobicContact CG2-CD1 3.78Å
494	E	89.2	Confident	85.6	Confident	112 Å²	112	74.8 Å²	74.8	52%	0.523	39%	0.386	S	S	.	.	H	α-helix	trans	-72.3	-37.8	179.2	-74.3	179.8	175.2	0	0	112	R490 Q491 A497	R490-E494 HydrophobicContact CG-CG 4.27Å; R490-E494 IonicContact CZ-OE1 3.64Å; R490-E494 VanDerWaalsContact CZ-OE1 3.25Å; R490-E494 IonicContact CZ-OE2 2.87Å; R490-E494 IonicContact NE-OE1 2.7Å; R490-E494 PolarHBondContact NE-OE1 2.79Å; R490-E494 IonicContact NE-OE2 3.41Å; R490-E494 IonicContact NH2-OE1 3.55Å; R490-E494 PolarHBondContact NH2-OE1 3.27Å; R490-E494 IonicContact NH2-OE2 3.48Å; R490-E494 WeakPolarHBondContact O-CB 3.38Å; R490-E494 WeakPolarHBondContact O-CG 3.5Å; R490-E494 PolarHBondContact O-N 3.18Å; Q491-E494 PolarHBondContact O-N 3.05Å; E494-A497 WeakPolarHBondContact O-CB 3.31Å; E494-A497 PolarHBondContact O-N 3.32Å
495	S	87.7	Confident	85.9	Confident	74 Å²	74	81 Å²	81	52%	0.517	41%	0.406	S	S	.	.	H	α-helix	trans	-67.3	-35.5	178.8	63.6	0	0	0	0	112.6	Q491 A492	Q491-S495 VanDerWaalsContact O-CB 3.26Å; Q491-S495 WeakPolarHBondContact O-CB 3.32Å; Q491-S495 PolarHBondContact O-N 3.5Å; Q491-S495 PolarHBondContact O-OG 2.68Å; A492-S495 PolarHBondContact O-OG 3.3Å; A492-S495 VanDerWaalsContact O-OG 3.13Å
496	T	86.3	Confident	85.9	Confident	20 Å²	20	82.8 Å²	82.8	12%	0.123	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	9.7	-179.3	62.7	0	0	0	0	113.5	A492 Q498 S499 R502 I503	A492-T496 WeakPolarHBondContact O-CG2 3.36Å; A492-T496 PolarHBondContact O-N 2.85Å; A492-T496 PolarHBondContact O-OG1 3.17Å; T496-Q498 PolarHBondContact O-N 3.16Å; T496-S499 WeakPolarHBondContact CB-OG 3.21Å; T496-S499 PolarHBondContact O-N 3.21Å; T496-S499 PolarHBondContact O-OG 3.46Å; T496-R502 WeakPolarHBondContact O-CB 3.5Å; T496-I503 HydrophobicContact CG2-CD1 3.77Å; T496-I503 HydrophobicContact CG2-CG1 3.95Å; T496-I503 WeakPolarHBondContact OG1-CB 3.49Å; T496-I503 PolarHBondContact OG1-N 3.29Å
497	A	83.1	Confident	86	Confident	71 Å²	71	81.6 Å²	81.6	59%	0.587	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.7	-177.7	0	0	0	0	0	113.7	V493 E494	V493-A497 PolarHBondContact O-N 2.82Å; E494-A497 WeakPolarHBondContact O-CB 3.31Å; E494-A497 PolarHBondContact O-N 3.32Å
498	Q	79.9	Confident	86.1	Confident	195 Å²	195	79.4 Å²	79.4	91%	0.911	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-2.4	179.9	-64.5	-165.8	-11.8	0	0	114	T496	T496-Q498 PolarHBondContact O-N 3.16Å
499	S	80.1	Confident	86.2	Confident	52 Å²	52	84.2 Å²	84.2	36%	0.364	43%	0.427	S	S	.	.	S	Bend	trans	-86.4	150.3	177.9	63.1	0	0	0	0	111.2	T496 N501 R502	T496-S499 WeakPolarHBondContact CB-OG 3.21Å; T496-S499 PolarHBondContact O-N 3.21Å; T496-S499 PolarHBondContact O-OG 3.46Å; S499-N501 PolarHBondContact O-N 3.46Å; S499-R502 PolarHBondContact O-N 2.91Å
500	D	73.6	Confident	86.2	Confident	171 Å²	171	88.9 Å²	88.9	91%	0.914	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30	175.6	-74.8	-30.5	0	0	0	111.8	R502	D500-R502 PolarHBondContact O-N 2.94Å
501	N	79.6	Confident	86.2	Confident	146 Å²	146	90.2 Å²	90.2	78%	0.781	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	57.5	174.8	-71.1	-11.9	0	0	0	111.8	S499 I503	S499-N501 PolarHBondContact O-N 3.46Å; N501-I503 PolarHBondContact O-N 2.97Å
502	R	83.8	Confident	86.2	Confident	181 Å²	181	84.4 Å²	84.4	68%	0.683	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-58.5	131.1	178.6	68.7	-177.3	-178.4	178.8	-2.3	112	T496 S499 D500 T504	T496-R502 WeakPolarHBondContact O-CB 3.5Å; S499-R502 PolarHBondContact O-N 2.91Å; D500-R502 PolarHBondContact O-N 2.94Å; R502-T504 HydrophobicContact CG-CG2 4.26Å; R502-T504 PolarHBondContact O-N 3.32Å
503	I	85.6	Confident	86.3	Confident	18 Å²	18	86.1 Å²	86.1	9%	0.092	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-76.1	122.8	173.3	-63.4	173	0	0	0	108.1	A492 T496 N501 I508 L553 E554	A492-I503 HydrophobicContact CB-CD1 4.34Å; T496-I503 HydrophobicContact CG2-CD1 3.77Å; T496-I503 HydrophobicContact CG2-CG1 3.95Å; T496-I503 WeakPolarHBondContact OG1-CB 3.49Å; T496-I503 PolarHBondContact OG1-N 3.29Å; N501-I503 PolarHBondContact O-N 2.97Å; I503-I508 HydrophobicContact CG2-CD1 3.92Å; I503-I508 HydrophobicContact CG2-CG1 3.65Å; I503-L553 HydrophobicContact CD1-CD2 4.38Å; I503-L553 HydrophobicContact CD1-CG 4.29Å; I503-L553 HydrophobicContact CG2-CD2 3.91Å; I503-E554 HydrophobicContact CD1-CG 4.34Å
504	T	88.1	Confident	86.3	Confident	46 Å²	46	89.5 Å²	89.5	28%	0.282	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-103.9	159.2	177	65	0	0	0	0	110.9	R502 S506 T507 I508	R502-T504 HydrophobicContact CG-CG2 4.26Å; R502-T504 PolarHBondContact O-N 3.32Å; T504-S506 PolarHBondContact O-N 3Å; T504-S506 PolarHBondContact OG1-OG 3.22Å; T504-T507 WeakPolarHBondContact O-CB 3.5Å; T504-T507 PolarHBondContact O-N 2.93Å; T504-T507 PolarHBondContact OG1-N 3.2Å; T504-T507 PolarHBondContact OG1-OG1 3.33Å; T504-I508 PolarHBondContact O-N 2.84Å; T504-I508 VanDerWaalsContact O-N 3.1Å
505	W	89.5	Confident	86.4	Confident	141 Å²	141	84.9 Å²	84.9	53%	0.534	45%	0.446	S	S	.	.	H	α-helix	trans	-57.6	-33.2	174.7	177.1	-112.6	0	0	0	113	F485 I508 R509 M516	F485-W505 AromaticContact CE1-CH2 3.88Å; F485-W505 HydrophobicContact CE1-CH2 3.88Å; F485-W505 AromaticContact CE1-CZ3 3.95Å; F485-W505 HydrophobicContact CE1-CZ3 3.95Å; F485-W505 HydrophobicContact CZ-CH2 4.28Å; F485-W505 HydrophobicContact CZ-CZ3 4.26Å; W505-I508 HydrophobicContact CE3-CB 4.17Å; W505-I508 HydrophobicContact CE3-CD1 4.34Å; W505-I508 HydrophobicContact CE3-CG2 4.11Å; W505-I508 HydrophobicContact CZ3-CB 4.47Å; W505-I508 HydrophobicContact CZ3-CG2 3.9Å; W505-I508 PolarHBondContact O-N 3Å; W505-R509 VanDerWaalsContact O-CB 3.31Å; W505-R509 WeakPolarHBondContact O-CB 3.47Å; W505-R509 PolarHBondContact O-N 2.89Å; W505-M516 HydrophobicContact CH2-CE 3.33Å; W505-M516 HydrophobicContact CZ2-CE 3.71Å; W505-M516 HydrophobicContact CZ3-CE 4.04Å
506	S	88.8	Confident	86.4	Confident	59 Å²	59	83.4 Å²	83.4	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-59.3	-46.4	172.8	28.5	0	0	0	0	111.7	T504 I508 R509 D510	T504-S506 PolarHBondContact O-N 3Å; T504-S506 PolarHBondContact OG1-OG 3.22Å; S506-I508 PolarHBondContact O-N 2.85Å; S506-R509 PolarHBondContact O-N 3.09Å; S506-D510 WeakPolarHBondContact O-CB 3.29Å; S506-D510 PolarHBondContact O-N 2.86Å
507	T	89	Confident	86.7	Confident	49 Å²	49	90.5 Å²	90.5	30%	0.301	46%	0.458	S	S	.	.	H	α-helix	trans	-60.7	-46.6	178	-41	0	0	0	0	111.1	T504 D510 H511 L553	T504-T507 WeakPolarHBondContact O-CB 3.5Å; T504-T507 PolarHBondContact O-N 2.93Å; T504-T507 PolarHBondContact OG1-N 3.2Å; T504-T507 PolarHBondContact OG1-OG1 3.33Å; T507-D510 PolarHBondContact O-N 3.41Å; T507-H511 PolarHBondContact O-N 2.98Å; T507-H511 VanDerWaalsContact O-N 3.1Å; T507-H511 PolarHBondContact O-ND1 2.99Å; T507-L553 HydrophobicContact CG2-CD1 4.21Å
508	I	90.5	Very high	87	Confident	0 Å²	0	90.8 Å²	90.8	0%	0	45%	0.447	C	S	.	.	H	α-helix	trans	-60.1	-48.9	177.4	-65	170.1	0	0	0	110.4	F485 A489 V493 I503 T504 W505 S506 D510 H511 M512 M516 F550 L553	F485-I508 HydrophobicContact CZ-CG2 4.04Å; A489-I508 HydrophobicContact CB-CD1 4.28Å; V493-I508 HydrophobicContact CG2-CD1 3.78Å; I503-I508 HydrophobicContact CG2-CD1 3.92Å; I503-I508 HydrophobicContact CG2-CG1 3.65Å; T504-I508 PolarHBondContact O-N 2.84Å; T504-I508 VanDerWaalsContact O-N 3.1Å; W505-I508 HydrophobicContact CE3-CB 4.17Å; W505-I508 HydrophobicContact CE3-CD1 4.34Å; W505-I508 HydrophobicContact CE3-CG2 4.11Å; W505-I508 HydrophobicContact CZ3-CB 4.47Å; W505-I508 HydrophobicContact CZ3-CG2 3.9Å; W505-I508 PolarHBondContact O-N 3Å; S506-I508 PolarHBondContact O-N 2.85Å; I508-D510 VanDerWaalsContact C-N 3.32Å; I508-D510 PolarHBondContact O-N 3.33Å; I508-H511 PolarHBondContact O-N 3.42Å; I508-M512 HydrophobicContact CG2-CG 4.01Å; I508-M512 WeakPolarHBondContact O-CB 3.47Å; I508-M512 WeakPolarHBondContact O-CG 3.48Å; I508-M512 PolarHBondContact O-N 3.28Å; I508-M516 HydrophobicContact CG2-CE 4.47Å; I508-F550 HydrophobicContact CG2-CE1 4.39Å; I508-L553 HydrophobicContact CG1-CD2 3.74Å
509	R	90.8	Very high	87.4	Confident	130 Å²	130	82 Å²	82	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-40.4	-177.5	-174.5	-165.5	65.4	-171.8	-4.6	112.2	W505 S506 G513 M516	W505-R509 VanDerWaalsContact O-CB 3.31Å; W505-R509 WeakPolarHBondContact O-CB 3.47Å; W505-R509 PolarHBondContact O-N 2.89Å; S506-R509 PolarHBondContact O-N 3.09Å; R509-G513 PolarHBondContact O-N 2.84Å; R509-M516 HydrophobicContact CB-CE 4.25Å; R509-M516 HydrophobicContact CG-CE 4.35Å; R509-M516 HydrophobicContact CG-SD 4.24Å
510	D	89.6	Confident	87.7	Confident	107 Å²	107	82.6 Å²	82.6	57%	0.572	41%	0.41	S	S	*	.	H	α-helix	trans	-75.3	-34.1	-175.7	-61.6	-9.6	0	0	0	111.4	S506 T507 I508	S506-D510 WeakPolarHBondContact O-CB 3.29Å; S506-D510 PolarHBondContact O-N 2.86Å; T507-D510 PolarHBondContact O-N 3.41Å; I508-D510 VanDerWaalsContact C-N 3.32Å; I508-D510 PolarHBondContact O-N 3.33Å
511	H	88.5	Confident	88.5	Confident	132 Å²	132	76.1 Å²	76.1	61%	0.611	38%	0.378	S	S	*	.	H	α-helix	trans	-81.6	-30.9	175.4	-70.4	77.8	0	0	0	113.6	T507 I508 L553	T507-H511 PolarHBondContact O-N 2.98Å; T507-H511 VanDerWaalsContact O-N 3.1Å; T507-H511 PolarHBondContact O-ND1 2.99Å; I508-H511 PolarHBondContact O-N 3.42Å; H511-L553 HydrophobicContact CB-CD1 3.95Å
512	M	89.5	Confident	88.8	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.025	35%	0.347	C	S	.	.	S	Bend	trans	-100.8	17.3	-173.8	-55.6	-64.2	160.5	0	0	113.4	F485 I508 D514 I515 M516 A549 L553	F485-M512 HydrophobicContact CE2-CB 4.26Å; F485-M512 HydrophobicContact CE2-CG 4.44Å; I508-M512 HydrophobicContact CG2-CG 4.01Å; I508-M512 WeakPolarHBondContact O-CB 3.47Å; I508-M512 WeakPolarHBondContact O-CG 3.48Å; I508-M512 PolarHBondContact O-N 3.28Å; M512-D514 VanDerWaalsContact C-N 3.3Å; M512-D514 PolarHBondContact O-N 3.26Å; M512-I515 PolarHBondContact O-N 2.9Å; M512-I515 HydrophobicContact SD-CD1 3.61Å; M512-M516 WeakPolarHBondContact O-CG 3.39Å; M512-M516 PolarHBondContact O-N 3.35Å; M512-A549 HydrophobicContact CE-CB 3.62Å; M512-A549 WeakPolarHBondContact CE-O 3.47Å; M512-A549 HydrophobicContact SD-CB 3.46Å; M512-A549 WeakPolarHBondContact SD-CB 3.47Å; M512-L553 HydrophobicContact CE-CB 4.09Å; M512-L553 HydrophobicContact CE-CD2 4.21Å
513	G	89.6	Confident	88.9	Confident	37 Å²	37	67.4 Å²	67.4	38%	0.381	34%	0.339	S	S	.	.	H	α-helix	trans	-54.3	-44	-176.2	0	0	0	0	0	113.4	R509 M516 Y517	R509-G513 PolarHBondContact O-N 2.84Å; G513-M516 PolarHBondContact O-N 2.84Å; G513-Y517 PolarHBondContact O-N 2.66Å
514	D	90.4	Very high	89	Confident	133 Å²	133	73.8 Å²	73.8	71%	0.711	37%	0.366	S	S	*	.	H	α-helix	trans	-67.1	-41.6	179.5	-69.2	-22.4	0	0	0	112.3	M512 Y517 Q518	M512-D514 VanDerWaalsContact C-N 3.3Å; M512-D514 PolarHBondContact O-N 3.26Å; D514-Y517 WeakPolarHBondContact O-CB 3.38Å; D514-Y517 PolarHBondContact O-N 2.96Å; D514-Q518 WeakPolarHBondContact O-CG 3.31Å; D514-Q518 PolarHBondContact O-N 2.92Å
515	I	90.5	Very high	88.9	Confident	16 Å²	16	75.5 Å²	75.5	8%	0.082	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-41.9	176.6	-69.1	161.6	0	0	0	110.4	F485 M512 Y517 Q518 L519 M546 A549	F485-I515 HydrophobicContact CD2-CG2 4.39Å; M512-I515 PolarHBondContact O-N 2.9Å; M512-I515 HydrophobicContact SD-CD1 3.61Å; I515-Y517 VanDerWaalsContact C-N 3.27Å; I515-Y517 PolarHBondContact O-N 3.35Å; I515-Q518 PolarHBondContact O-N 3.27Å; I515-L519 HydrophobicContact CG2-CD1 4.02Å; I515-L519 HydrophobicContact CG2-CG 4.28Å; I515-L519 WeakPolarHBondContact O-CB 3.43Å; I515-L519 VanDerWaalsContact O-CG 3.31Å; I515-L519 WeakPolarHBondContact O-CG 3.42Å; I515-L519 PolarHBondContact O-N 3.05Å; I515-M546 HydrophobicContact CG2-CB 4.36Å; I515-M546 HydrophobicContact CG2-CG 4.34Å; I515-A549 HydrophobicContact CD1-CB 3.36Å
516	M	88.7	Confident	88.6	Confident	42 Å²	42	71.2 Å²	71.2	21%	0.207	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-37.5	175.3	-70.9	-171.5	-176	0	0	112.1	F485 W505 I508 R509 M512 G513 S520	F485-M516 HydrophobicContact CE1-CE 4.1Å; F485-M516 HydrophobicContact CE2-CE 4.47Å; F485-M516 HydrophobicContact CZ-CE 3.54Å; F485-M516 HydrophobicContact CZ-CG 4.37Å; W505-M516 HydrophobicContact CH2-CE 3.33Å; W505-M516 HydrophobicContact CZ2-CE 3.71Å; W505-M516 HydrophobicContact CZ3-CE 4.04Å; I508-M516 HydrophobicContact CG2-CE 4.47Å; R509-M516 HydrophobicContact CB-CE 4.25Å; R509-M516 HydrophobicContact CG-CE 4.35Å; R509-M516 HydrophobicContact CG-SD 4.24Å; M512-M516 WeakPolarHBondContact O-CG 3.39Å; M512-M516 PolarHBondContact O-N 3.35Å; G513-M516 PolarHBondContact O-N 2.84Å; M516-S520 WeakPolarHBondContact O-CB 3.5Å; M516-S520 PolarHBondContact O-N 3.09Å; M516-S520 VanDerWaalsContact O-N 3.09Å; M516-S520 PolarHBondContact O-OG 3.03Å
517	Y	91.3	Very high	88.2	Confident	170 Å²	170	73 Å²	73	67%	0.667	37%	0.368	S	S	*	.	H	α-helix	trans	-65.5	-45	174	178.1	-99	0	0	0	111.8	G513 D514 I515 S520 S521	G513-Y517 PolarHBondContact O-N 2.66Å; D514-Y517 WeakPolarHBondContact O-CB 3.38Å; D514-Y517 PolarHBondContact O-N 2.96Å; I515-Y517 VanDerWaalsContact C-N 3.27Å; I515-Y517 PolarHBondContact O-N 3.35Å; Y517-S520 WeakPolarHBondContact O-CB 3.46Å; Y517-S520 PolarHBondContact O-N 3.18Å; Y517-S521 WeakPolarHBondContact O-CB 3.3Å; Y517-S521 PolarHBondContact O-N 3.37Å; Y517-S521 PolarHBondContact O-OG 3.4Å
518	Q	89.6	Confident	87.8	Confident	76 Å²	76	76.5 Å²	76.5	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-43.9	176.1	-70.3	174.5	-8.3	0	0	111.9	D514 I515 S520 S521 M522 L542	D514-Q518 WeakPolarHBondContact O-CG 3.31Å; D514-Q518 PolarHBondContact O-N 2.92Å; I515-Q518 PolarHBondContact O-N 3.27Å; Q518-S520 PolarHBondContact O-N 2.83Å; Q518-S521 PolarHBondContact O-N 3.22Å; Q518-M522 WeakPolarHBondContact O-CG 3.38Å; Q518-M522 PolarHBondContact O-N 3.29Å; Q518-M522 VanDerWaalsContact O-N 3.1Å; Q518-L542 HydrophobicContact CB-CD1 3.69Å; Q518-L542 HydrophobicContact CG-CD1 4.44Å
519	L	87.7	Confident	87.5	Confident	10 Å²	10	84.7 Å²	84.7	5%	0.052	42%	0.424	C	S	.	.	H	α-helix	trans	-60.9	-30.5	174.7	-73.4	172.7	0	0	0	113.2	C481 R482 F485 I515 M522 L542	C481-L519 HydrophobicContact CB-CD2 3.65Å; R482-L519 HydrophobicContact CG-CD2 4.36Å; R482-L519 PolarHBondContact NH2-O 3.45Å; R482-L519 VanDerWaalsContact NH2-O 3.1Å; F485-L519 HydrophobicContact CB-CD1 3.97Å; F485-L519 HydrophobicContact CD2-CD1 3.88Å; F485-L519 HydrophobicContact CG-CD1 3.89Å; I515-L519 HydrophobicContact CG2-CD1 4.02Å; I515-L519 HydrophobicContact CG2-CG 4.28Å; I515-L519 WeakPolarHBondContact O-CB 3.43Å; I515-L519 VanDerWaalsContact O-CG 3.31Å; I515-L519 WeakPolarHBondContact O-CG 3.42Å; I515-L519 PolarHBondContact O-N 3.05Å; L519-M522 HydrophobicContact CB-CE 4.2Å; L519-M522 HydrophobicContact CD2-CE 3.66Å; L519-M522 HydrophobicContact CD2-SD 4.11Å; L519-M522 WeakPolarHBondContact O-CE 3.5Å; L519-L542 HydrophobicContact CD2-CD2 4.05Å
520	S	86.9	Confident	87	Confident	65 Å²	65	80.4 Å²	80.4	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-77	-30.5	174.9	-62.5	0	0	0	0	112	M516 Y517 Q518	M516-S520 WeakPolarHBondContact O-CB 3.5Å; M516-S520 PolarHBondContact O-N 3.09Å; M516-S520 VanDerWaalsContact O-N 3.09Å; M516-S520 PolarHBondContact O-OG 3.03Å; Y517-S520 WeakPolarHBondContact O-CB 3.46Å; Y517-S520 PolarHBondContact O-N 3.18Å; Q518-S520 PolarHBondContact O-N 2.83Å
521	S	89.9	Confident	86.8	Confident	35 Å²	35	76.8 Å²	76.8	25%	0.245	40%	0.399	C	S	.	.	H	α-helix	trans	-83.5	-14.8	-176.6	-59.4	0	0	0	0	114	Y517 Q518 K523 F524	Y517-S521 WeakPolarHBondContact O-CB 3.3Å; Y517-S521 PolarHBondContact O-N 3.37Å; Y517-S521 PolarHBondContact O-OG 3.4Å; Q518-S521 PolarHBondContact O-N 3.22Å; S521-K523 PolarHBondContact O-N 2.93Å; S521-F524 WeakPolarHBondContact O-CD2 3.42Å; S521-F524 PolarHBondContact O-N 3.19Å
522	M	86.2	Confident	86.6	Confident	26 Å²	26	76.7 Å²	76.7	13%	0.128	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-49.5	-30.4	177.3	-65.5	-170	-70.3	0	0	114	A479 C481 R482 Q518 L519 F524 K525 F539 L542	A479-M522 HydrophobicContact CB-CE 4.39Å; C481-M522 HydrophobicContact CB-CE 4.28Å; C481-M522 HydrophobicContact CB-SD 4.06Å; R482-M522 HydrophobicContact CG-CE 3.92Å; Q518-M522 WeakPolarHBondContact O-CG 3.38Å; Q518-M522 PolarHBondContact O-N 3.29Å; Q518-M522 VanDerWaalsContact O-N 3.1Å; L519-M522 HydrophobicContact CB-CE 4.2Å; L519-M522 HydrophobicContact CD2-CE 3.66Å; L519-M522 HydrophobicContact CD2-SD 4.11Å; L519-M522 WeakPolarHBondContact O-CE 3.5Å; M522-F524 PolarHBondContact O-N 3.46Å; M522-K525 PolarHBondContact O-N 3.14Å; M522-F539 HydrophobicContact CB-CE1 4Å; M522-F539 HydrophobicContact CB-CZ 4.35Å; M522-F539 HydrophobicContact CG-CD1 4.4Å; M522-F539 HydrophobicContact CG-CE1 3.89Å; M522-F539 HydrophobicContact SD-CD1 4.32Å; M522-F539 HydrophobicContact SD-CE1 4.19Å; M522-L542 HydrophobicContact CG-CD2 4.09Å; M522-L542 HydrophobicContact SD-CD2 3.92Å
523	K	85.4	Confident	86.4	Confident	118 Å²	118	83.7 Å²	83.7	51%	0.513	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-69.1	-12.6	-179.3	70.9	-176.5	-179.3	178.8	0	114.8	S521	S521-K523 PolarHBondContact O-N 2.93Å
524	F	88.2	Confident	86.3	Confident	152 Å²	152	86.9 Å²	86.9	67%	0.667	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-98.6	2.4	-176.2	-61.8	-68.4	0	0	0	113.5	S521 M522	S521-F524 WeakPolarHBondContact O-CD2 3.42Å; S521-F524 PolarHBondContact O-N 3.19Å; M522-F524 PolarHBondContact O-N 3.46Å
525	K	85.3	Confident	86.1	Confident	82 Å²	82	81.8 Å²	81.8	36%	0.357	41%	0.407	S	S	.	.			trans	-66.3	134.2	171.5	-65.1	-69.1	-177	170.5	0	109.6	M522 I535 D538 F539	M522-K525 PolarHBondContact O-N 3.14Å; K525-I535 HydrophobicContact CB-CD1 4.24Å; K525-I535 HydrophobicContact CB-CG1 4.29Å; K525-D538 IonicContact NZ-OD2 3.62Å; K525-D538 PolarHBondContact NZ-OD2 3.1Å; K525-F539 HydrophobicContact CG-CE1 4.27Å; K525-F539 HydrophobicContact CG-CZ 4.35Å
526	D	84.5	Confident	85.9	Confident	51 Å²	51	86.2 Å²	86.2	27%	0.273	43%	0.426	S	S	.	.			trans	-101.6	111.7	-176.4	-175.9	-16.4	0	0	0	109.2	V528 K529 D530	D526-V528 PolarHBondContact O-N 3.39Å; D526-V528 PolarHBondContact OD1-N 3.35Å; D526-K529 HydrophobicContact CB-CB 4.19Å; D526-K529 HydrophobicContact CB-CD 4.48Å; D526-K529 HydrophobicContact CB-CG 4.49Å; D526-K529 PolarHBondContact O-N 3.42Å; D526-K529 VanDerWaalsContact OD2-CD 3.29Å; D526-K529 WeakPolarHBondContact OD2-CD 3.2Å; D526-K529 WeakPolarHBondContact OD2-CE 3.39Å; D526-K529 WeakPolarHBondContact OD2-CG 3.43Å; D526-K529 IonicContact OD2-NZ 3.96Å; D526-D530 PolarHBondContact N-OD2 2.88Å; D526-D530 WeakPolarHBondContact O-CB 3.48Å; D526-D530 PolarHBondContact O-N 3.44Å
527	P	81.1	Confident	85.8	Confident	98 Å²	98	90.2 Å²	90.2	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-62.6	-26.4	-176.5	26	-34	0	0	0	113	G531	P527-G531 PolarHBondContact O-N 3.42Å
528	V	79.8	Confident	85.6	Confident	121 Å²	121	84 Å²	84	73%	0.733	42%	0.421	S	S	*	.	H	α-helix	trans	-78.8	-39.4	-178.6	-177.5	0	0	0	0	111.1	D526	D526-V528 PolarHBondContact O-N 3.39Å; D526-V528 PolarHBondContact OD1-N 3.35Å
529	K	84.2	Confident	85.5	Confident	172 Å²	172	83.2 Å²	83.2	75%	0.748	42%	0.416	S	S	*	.	H	α-helix	trans	-87.9	-41.3	-176.1	-67.1	179.2	-173.2	166.5	0	113.7	D526	D526-K529 HydrophobicContact CB-CB 4.19Å; D526-K529 HydrophobicContact CB-CD 4.48Å; D526-K529 HydrophobicContact CB-CG 4.49Å; D526-K529 PolarHBondContact O-N 3.42Å; D526-K529 VanDerWaalsContact OD2-CD 3.29Å; D526-K529 WeakPolarHBondContact OD2-CD 3.2Å; D526-K529 WeakPolarHBondContact OD2-CE 3.39Å; D526-K529 WeakPolarHBondContact OD2-CG 3.43Å; D526-K529 IonicContact OD2-NZ 3.96Å
530	D	80.8	Confident	85.4	Confident	41 Å²	41	87.6 Å²	87.6	22%	0.219	44%	0.439	C	S	.	.	H	α-helix	trans	-83.8	-31.2	-174.2	-70.6	-46.2	0	0	0	111.6	D526 K534 I535	D526-D530 PolarHBondContact N-OD2 2.88Å; D526-D530 WeakPolarHBondContact O-CB 3.48Å; D526-D530 PolarHBondContact O-N 3.44Å; D530-K534 HydrophobicContact CB-CD 4.09Å; D530-K534 WeakPolarHBondContact O-CB 3.44Å; D530-K534 WeakPolarHBondContact O-CD 3.28Å; D530-K534 IonicContact OD1-NZ 3.61Å; D530-K534 PolarHBondContact OD1-NZ 3.04Å; D530-I535 HydrophobicContact CB-CD1 4.03Å; D530-I535 HydrophobicContact CB-CG1 3.77Å
531	G	84.2	Confident	85.6	Confident	30 Å²	30	89.8 Å²	89.8	31%	0.309	44%	0.443	S	S	.	.			trans	74	158.4	-173.1	0	0	0	0	0	112.7	P527 I535	P527-G531 PolarHBondContact O-N 3.42Å; G531-I535 VanDerWaalsContact O-CG1 3.3Å; G531-I535 WeakPolarHBondContact O-CG1 3.4Å; G531-I535 PolarHBondContact O-N 3.26Å
532	E	84.2	Confident	85.5	Confident	130 Å²	130	88.7 Å²	88.7	61%	0.607	43%	0.434	S	S	*	.	H	α-helix	trans	-64.8	-44.7	-173.3	-172.1	-175.6	160.9	0	0	113	K534 I535 K536	E532-K534 VanDerWaalsContact C-N 3.34Å; E532-K534 PolarHBondContact O-N 2.9Å; E532-I535 PolarHBondContact O-N 3.45Å; E532-K536 HydrophobicContact CG-CD 4.17Å; E532-K536 WeakPolarHBondContact O-CG 3.45Å; E532-K536 PolarHBondContact O-N 2.85Å; E532-K536 WeakPolarHBondContact OE1-CE 3.14Å; E532-K536 IonicContact OE1-NZ 2.96Å; E532-K536 PolarHBondContact OE1-NZ 3.47Å
533	E	85.1	Confident	85.6	Confident	152 Å²	152	91.6 Å²	91.6	71%	0.71	44%	0.444	S	S	*	.	H	α-helix	trans	-62.7	-40.6	-176.2	-66.1	-172.3	173.5	0	0	112.6	K536 K537	E533-K536 PolarHBondContact O-N 3.39Å; E533-K537 WeakPolarHBondContact O-CG 3.42Å; E533-K537 PolarHBondContact O-N 2.74Å
534	K	87.9	Confident	85.8	Confident	104 Å²	104	90.3 Å²	90.3	45%	0.452	44%	0.443	S	S	.	.	H	α-helix	trans	-67.2	-44.7	178.1	-173.2	-175	172.5	-163.8	0	110.7	D530 E532 K536 K537 D538	D530-K534 HydrophobicContact CB-CD 4.09Å; D530-K534 WeakPolarHBondContact O-CB 3.44Å; D530-K534 WeakPolarHBondContact O-CD 3.28Å; D530-K534 IonicContact OD1-NZ 3.61Å; D530-K534 PolarHBondContact OD1-NZ 3.04Å; E532-K534 VanDerWaalsContact C-N 3.34Å; E532-K534 PolarHBondContact O-N 2.9Å; K534-K536 VanDerWaalsContact C-N 3.31Å; K534-K536 PolarHBondContact O-N 2.91Å; K534-K537 PolarHBondContact O-N 2.99Å; K534-D538 WeakPolarHBondContact O-CB 3.16Å; K534-D538 PolarHBondContact O-N 3.24Å
535	I	86.8	Confident	85.9	Confident	26 Å²	26	87.4 Å²	87.4	13%	0.133	43%	0.431	C	S	.	.	H	α-helix	trans	-61.5	-41.7	177.8	-68.3	172	0	0	0	110.9	K525 D530 G531 E532 D538 F539	K525-I535 HydrophobicContact CB-CD1 4.24Å; K525-I535 HydrophobicContact CB-CG1 4.29Å; D530-I535 HydrophobicContact CB-CD1 4.03Å; D530-I535 HydrophobicContact CB-CG1 3.77Å; G531-I535 VanDerWaalsContact O-CG1 3.3Å; G531-I535 WeakPolarHBondContact O-CG1 3.4Å; G531-I535 PolarHBondContact O-N 3.26Å; E532-I535 PolarHBondContact O-N 3.45Å; I535-D538 PolarHBondContact O-N 3.39Å; I535-F539 HydrophobicContact CG2-CD2 3.82Å; I535-F539 HydrophobicContact CG2-CE1 4.35Å; I535-F539 HydrophobicContact CG2-CE2 3.28Å; I535-F539 HydrophobicContact CG2-CZ 3.58Å; I535-F539 WeakPolarHBondContact O-CD2 3.24Å; I535-F539 VanDerWaalsContact O-CG 3.26Å; I535-F539 WeakPolarHBondContact O-CG 3.17Å; I535-F539 PolarHBondContact O-N 3.44Å
536	K	85.1	Confident	86.1	Confident	110 Å²	110	83.5 Å²	83.5	48%	0.478	41%	0.414	S	S	.	.	H	α-helix	trans	-60.8	-50.3	175.2	-78.6	177.2	167.3	172.4	0	111.6	E532 E533 K534 D538 F539 D540	E532-K536 HydrophobicContact CG-CD 4.17Å; E532-K536 WeakPolarHBondContact O-CG 3.45Å; E532-K536 PolarHBondContact O-N 2.85Å; E532-K536 WeakPolarHBondContact OE1-CE 3.14Å; E532-K536 IonicContact OE1-NZ 2.96Å; E532-K536 PolarHBondContact OE1-NZ 3.47Å; E533-K536 PolarHBondContact O-N 3.39Å; K534-K536 VanDerWaalsContact C-N 3.31Å; K534-K536 PolarHBondContact O-N 2.91Å; K536-D538 VanDerWaalsContact C-N 3.34Å; K536-D538 PolarHBondContact O-N 3.34Å; K536-F539 PolarHBondContact O-N 3.31Å; K536-F539 VanDerWaalsContact O-N 3.09Å; K536-D540 PolarHBondContact O-N 2.9Å
537	K	88.2	Confident	86.3	Confident	126 Å²	126	84.1 Å²	84.1	55%	0.548	42%	0.415	S	S	.	.	H	α-helix	trans	-57.4	-45.4	176	-73	176.8	-176.4	176.4	0	112.4	E533 K534 F539 D540 E541	E533-K537 WeakPolarHBondContact O-CG 3.42Å; E533-K537 PolarHBondContact O-N 2.74Å; K534-K537 PolarHBondContact O-N 2.99Å; K537-F539 PolarHBondContact O-N 2.87Å; K537-D540 PolarHBondContact O-N 3.43Å; K537-E541 WeakPolarHBondContact O-CB 3.46Å; K537-E541 WeakPolarHBondContact O-CG 3.44Å; K537-E541 PolarHBondContact O-N 3.19Å
538	D	87.4	Confident	86.8	Confident	40 Å²	40	81.6 Å²	81.6	21%	0.214	40%	0.4	C	S	.	.	H	α-helix	trans	-59.7	-36.1	177.6	-71	-8.4	0	0	0	111.9	K525 K534 I535 K536 L542	K525-D538 IonicContact NZ-OD2 3.62Å; K525-D538 PolarHBondContact NZ-OD2 3.1Å; K534-D538 WeakPolarHBondContact O-CB 3.16Å; K534-D538 PolarHBondContact O-N 3.24Å; I535-D538 PolarHBondContact O-N 3.39Å; K536-D538 VanDerWaalsContact C-N 3.34Å; K536-D538 PolarHBondContact O-N 3.34Å; D538-L542 WeakPolarHBondContact O-CB 3.12Å; D538-L542 PolarHBondContact O-N 2.85Å; D538-L542 VanDerWaalsContact O-N 3.14Å
539	F	87.2	Confident	87.2	Confident	59 Å²	59	76.9 Å²	76.9	26%	0.259	37%	0.374	S	S	.	.	H	α-helix	trans	-77.4	-34.7	177.6	-66.5	-20.5	0	0	0	113.1	M522 K525 I535 K536 K537 L542 Y543	M522-F539 HydrophobicContact CB-CE1 4Å; M522-F539 HydrophobicContact CB-CZ 4.35Å; M522-F539 HydrophobicContact CG-CD1 4.4Å; M522-F539 HydrophobicContact CG-CE1 3.89Å; M522-F539 HydrophobicContact SD-CD1 4.32Å; M522-F539 HydrophobicContact SD-CE1 4.19Å; K525-F539 HydrophobicContact CG-CE1 4.27Å; K525-F539 HydrophobicContact CG-CZ 4.35Å; I535-F539 HydrophobicContact CG2-CD2 3.82Å; I535-F539 HydrophobicContact CG2-CE1 4.35Å; I535-F539 HydrophobicContact CG2-CE2 3.28Å; I535-F539 HydrophobicContact CG2-CZ 3.58Å; I535-F539 WeakPolarHBondContact O-CD2 3.24Å; I535-F539 VanDerWaalsContact O-CG 3.26Å; I535-F539 WeakPolarHBondContact O-CG 3.17Å; I535-F539 PolarHBondContact O-N 3.44Å; K536-F539 PolarHBondContact O-N 3.31Å; K536-F539 VanDerWaalsContact O-N 3.09Å; K537-F539 PolarHBondContact O-N 2.87Å; F539-L542 PolarHBondContact O-N 2.89Å; F539-Y543 WeakPolarHBondContact O-CB 3.41Å; F539-Y543 PolarHBondContact O-N 3.5Å
540	D	86	Confident	87.5	Confident	101 Å²	101	69.2 Å²	69.2	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-45.5	173.8	-66.9	-25.3	0	0	0	110.5	K536 K537 L542 Y543 D544	K536-D540 PolarHBondContact O-N 2.9Å; K537-D540 PolarHBondContact O-N 3.43Å; D540-L542 VanDerWaalsContact C-N 3.32Å; D540-L542 PolarHBondContact O-N 3.32Å; D540-Y543 WeakPolarHBondContact O-CA 3.25Å; D540-Y543 WeakPolarHBondContact O-CB 3.4Å; D540-Y543 PolarHBondContact O-N 3.16Å; D540-D544 PolarHBondContact O-N 3.41Å
541	E	89.7	Confident	87.8	Confident	112 Å²	112	73.8 Å²	73.8	52%	0.523	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-41.6	174.2	-74.1	178.5	-168.7	0	0	111.9	K537 Y543 D544 Q545	K537-E541 WeakPolarHBondContact O-CB 3.46Å; K537-E541 WeakPolarHBondContact O-CG 3.44Å; K537-E541 PolarHBondContact O-N 3.19Å; E541-Y543 VanDerWaalsContact C-N 3.31Å; E541-Y543 PolarHBondContact O-N 3.11Å; E541-D544 PolarHBondContact O-N 3.08Å; E541-Q545 WeakPolarHBondContact O-CB 3.34Å; E541-Q545 VanDerWaalsContact O-CG 3.25Å; E541-Q545 WeakPolarHBondContact O-CG 3.31Å; E541-Q545 PolarHBondContact O-N 3.13Å
542	L	88.9	Confident	88	Confident	12 Å²	12	78 Å²	78	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-39.5	174.6	178.3	62.6	0	0	0	111.7	Q518 L519 M522 D538 F539 D540 M546	Q518-L542 HydrophobicContact CB-CD1 3.69Å; Q518-L542 HydrophobicContact CG-CD1 4.44Å; L519-L542 HydrophobicContact CD2-CD2 4.05Å; M522-L542 HydrophobicContact CG-CD2 4.09Å; M522-L542 HydrophobicContact SD-CD2 3.92Å; D538-L542 WeakPolarHBondContact O-CB 3.12Å; D538-L542 PolarHBondContact O-N 2.85Å; D538-L542 VanDerWaalsContact O-N 3.14Å; F539-L542 PolarHBondContact O-N 2.89Å; D540-L542 VanDerWaalsContact C-N 3.32Å; D540-L542 PolarHBondContact O-N 3.32Å; L542-M546 VanDerWaalsContact O-CB 3.32Å; L542-M546 WeakPolarHBondContact O-CB 3.45Å; L542-M546 PolarHBondContact O-N 3.31Å
543	Y	87.2	Confident	88	Confident	86 Å²	86	72.8 Å²	72.8	34%	0.337	35%	0.346	S	S	.	.	H	α-helix	trans	-66.6	-40.5	177.9	-171.7	-108.3	0	0	0	111.7	M488 F539 D540 E541 M546 Q547	M488-Y543 HydrophobicContact CE-CD2 4.49Å; M488-Y543 HydrophobicContact CE-CE2 3.65Å; M488-Y543 WeakPolarHBondContact CE-OH 3.26Å; F539-Y543 WeakPolarHBondContact O-CB 3.41Å; F539-Y543 PolarHBondContact O-N 3.5Å; D540-Y543 WeakPolarHBondContact O-CA 3.25Å; D540-Y543 WeakPolarHBondContact O-CB 3.4Å; D540-Y543 PolarHBondContact O-N 3.16Å; E541-Y543 VanDerWaalsContact C-N 3.31Å; E541-Y543 PolarHBondContact O-N 3.11Å; Y543-M546 HydrophobicContact CD2-CE 3.35Å; Y543-M546 HydrophobicContact CE2-CE 3.52Å; Y543-M546 HydrophobicContact CG-CE 4.37Å; Y543-M546 WeakPolarHBondContact O-CB 3.48Å; Y543-M546 PolarHBondContact O-N 3.13Å; Y543-Q547 PolarHBondContact O-N 3.01Å
544	D	89.4	Confident	87.6	Confident	91 Å²	91	70.4 Å²	70.4	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-39.9	175.7	-74.4	-20	0	0	0	112.8	D540 E541 M546 Q547 S548	D540-D544 PolarHBondContact O-N 3.41Å; E541-D544 PolarHBondContact O-N 3.08Å; D544-M546 VanDerWaalsContact C-N 3.31Å; D544-Q547 PolarHBondContact O-N 3.46Å; D544-S548 WeakPolarHBondContact O-CB 3.4Å; D544-S548 PolarHBondContact O-N 3.23Å; D544-S548 PolarHBondContact O-OG 2.71Å
545	Q	90.3	Very high	87	Confident	91 Å²	91	74.3 Å²	74.3	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-43.3	172.4	-75.1	173.2	21.5	0	0	110.8	E541 S548 A549	E541-Q545 WeakPolarHBondContact O-CB 3.34Å; E541-Q545 VanDerWaalsContact O-CG 3.25Å; E541-Q545 WeakPolarHBondContact O-CG 3.31Å; E541-Q545 PolarHBondContact O-N 3.13Å; Q545-S548 PolarHBondContact O-N 3.4Å; Q545-A549 WeakPolarHBondContact O-CB 3.44Å; Q545-A549 PolarHBondContact O-N 3.41Å
546	M	90	Very high	87	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-47.1	177.1	-179.9	178.5	73.7	0	0	112	F485 M488 I515 L542 Y543 D544 S548 A549 F550	F485-M546 WeakPolarHBondContact CA-SD 3.46Å; F485-M546 HydrophobicContact CB-SD 3.5Å; F485-M546 WeakPolarHBondContact CB-SD 3.27Å; F485-M546 HydrophobicContact CD2-CG 4.26Å; F485-M546 HydrophobicContact CD2-SD 3.82Å; F485-M546 HydrophobicContact CG-SD 4.17Å; M488-M546 HydrophobicContact CE-CE 3.68Å; M488-M546 HydrophobicContact SD-CE 3.73Å; M488-M546 HydrophobicContact SD-CG 4.1Å; M488-M546 HydrophobicContact SD-SD 4.49Å; I515-M546 HydrophobicContact CG2-CB 4.36Å; I515-M546 HydrophobicContact CG2-CG 4.34Å; L542-M546 VanDerWaalsContact O-CB 3.32Å; L542-M546 WeakPolarHBondContact O-CB 3.45Å; L542-M546 PolarHBondContact O-N 3.31Å; Y543-M546 HydrophobicContact CD2-CE 3.35Å; Y543-M546 HydrophobicContact CE2-CE 3.52Å; Y543-M546 HydrophobicContact CG-CE 4.37Å; Y543-M546 WeakPolarHBondContact O-CB 3.48Å; Y543-M546 PolarHBondContact O-N 3.13Å; D544-M546 VanDerWaalsContact C-N 3.31Å; M546-S548 VanDerWaalsContact C-N 3.31Å; M546-S548 PolarHBondContact O-N 2.86Å; M546-A549 PolarHBondContact O-N 2.84Å; M546-F550 HydrophobicContact CG-CD2 3.89Å; M546-F550 HydrophobicContact CG-CE2 3.79Å; M546-F550 VanDerWaalsContact O-CD2 3.3Å; M546-F550 WeakPolarHBondContact O-CD2 3.39Å; M546-F550 PolarHBondContact O-N 3.44Å
547	Q	89	Confident	87.1	Confident	63 Å²	63	74.9 Å²	74.9	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-59.7	-41.5	175.2	-74.5	-175.6	27.5	0	0	112.6	M488 Y543 D544 A549 F550 R551	M488-Q547 HydrophobicContact CE-CG 3.42Å; M488-Q547 VanDerWaalsContact CE-CG 3.42Å; M488-Q547 HydrophobicContact SD-CG 4.03Å; Y543-Q547 PolarHBondContact O-N 3.01Å; D544-Q547 PolarHBondContact O-N 3.46Å; Q547-A549 VanDerWaalsContact C-N 3.35Å; Q547-F550 PolarHBondContact O-N 3.19Å; Q547-R551 WeakPolarHBondContact O-CG 3.48Å; Q547-R551 PolarHBondContact O-N 3.02Å; Q547-R551 PolarHBondContact O-NE 3.47Å
548	S	90.6	Very high	87	Confident	45 Å²	45	72.1 Å²	72.1	32%	0.315	36%	0.357	S	S	.	.	H	α-helix	trans	-67.3	-38.2	179.4	-56.7	0	0	0	0	111.5	D544 Q545 M546 R551 N552	D544-S548 WeakPolarHBondContact O-CB 3.4Å; D544-S548 PolarHBondContact O-N 3.23Å; D544-S548 PolarHBondContact O-OG 2.71Å; Q545-S548 PolarHBondContact O-N 3.4Å; M546-S548 VanDerWaalsContact C-N 3.31Å; M546-S548 PolarHBondContact O-N 2.86Å; S548-R551 PolarHBondContact O-N 3.1Å; S548-R551 PolarHBondContact OG-NH2 3.37Å; S548-N552 PolarHBondContact O-N 2.94Å; S548-N552 PolarHBondContact O-ND2 3.39Å; S548-N552 PolarHBondContact O-OD1 3.03Å
549	A	90.1	Very high	87	Confident	22 Å²	22	74 Å²	74	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-67.4	-40.8	175.8	0	0	0	0	0	112.3	M512 I515 Q545 M546 Q547 N552 L553	M512-A549 HydrophobicContact CE-CB 3.62Å; M512-A549 WeakPolarHBondContact CE-O 3.47Å; M512-A549 HydrophobicContact SD-CB 3.46Å; M512-A549 WeakPolarHBondContact SD-CB 3.47Å; I515-A549 HydrophobicContact CD1-CB 3.36Å; Q545-A549 WeakPolarHBondContact O-CB 3.44Å; Q545-A549 PolarHBondContact O-N 3.41Å; M546-A549 PolarHBondContact O-N 2.84Å; Q547-A549 VanDerWaalsContact C-N 3.35Å; A549-N552 PolarHBondContact O-N 3.29Å; A549-L553 PolarHBondContact O-N 3.25Å; A549-L553 VanDerWaalsContact O-N 3.14Å
550	F	89.4	Confident	87	Confident	11 Å²	11	74.9 Å²	74.9	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-64.7	-37.2	174.3	-84.7	-71.5	0	0	0	112.7	F485 M488 A489 A492 I508 M546 Q547 L553 E554	F485-F550 AromaticContact CD2-CE2 3.76Å; F485-F550 HydrophobicContact CD2-CE2 3.76Å; F485-F550 AromaticContact CD2-CZ 3.95Å; F485-F550 HydrophobicContact CD2-CZ 3.95Å; F485-F550 AromaticContact CE2-CE2 3.89Å; F485-F550 HydrophobicContact CE2-CE2 3.89Å; F485-F550 AromaticContact CE2-CZ 3.71Å; F485-F550 HydrophobicContact CE2-CZ 3.71Å; F485-F550 HydrophobicContact CZ-CZ 4.17Å; M488-F550 HydrophobicContact CB-CD1 4.25Å; M488-F550 HydrophobicContact CB-CD2 3.57Å; M488-F550 HydrophobicContact CB-CE1 4.3Å; M488-F550 HydrophobicContact CB-CE2 3.61Å; M488-F550 HydrophobicContact CB-CG 3.92Å; M488-F550 HydrophobicContact CB-CZ 3.99Å; M488-F550 HydrophobicContact CG-CD2 4.24Å; M488-F550 HydrophobicContact SD-CD2 3.72Å; M488-F550 HydrophobicContact SD-CE2 4.23Å; A489-F550 HydrophobicContact CB-CE1 4.07Å; A489-F550 HydrophobicContact CB-CZ 3.9Å; A492-F550 HydrophobicContact CB-CD1 4.39Å; I508-F550 HydrophobicContact CG2-CE1 4.39Å; M546-F550 HydrophobicContact CG-CD2 3.89Å; M546-F550 HydrophobicContact CG-CE2 3.79Å; M546-F550 VanDerWaalsContact O-CD2 3.3Å; M546-F550 WeakPolarHBondContact O-CD2 3.39Å; M546-F550 PolarHBondContact O-N 3.44Å; Q547-F550 PolarHBondContact O-N 3.19Å; F550-L553 HydrophobicContact CD1-CD2 4.49Å; F550-L553 WeakPolarHBondContact O-CB 3.44Å; F550-L553 PolarHBondContact O-N 2.79Å; F550-E554 PolarHBondContact O-N 3.04Å
551	R	87.4	Confident	87.1	Confident	138 Å²	138	73.2 Å²	73.2	52%	0.521	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-47.6	172.3	-76.5	-177.9	-76.9	-168	-0.9	111.9	Q547 S548 L553 E554 D555	Q547-R551 WeakPolarHBondContact O-CG 3.48Å; Q547-R551 PolarHBondContact O-N 3.02Å; Q547-R551 PolarHBondContact O-NE 3.47Å; S548-R551 PolarHBondContact O-N 3.1Å; S548-R551 PolarHBondContact OG-NH2 3.37Å; R551-L553 PolarHBondContact O-N 3.4Å; R551-L553 VanDerWaalsContact O-N 3.11Å; R551-E554 PolarHBondContact O-N 3.4Å; R551-E554 VanDerWaalsContact O-N 3.08Å; R551-D555 PolarHBondContact O-N 3.29Å; R551-D555 VanDerWaalsContact O-N 3.13Å
552	N	87.4	Confident	86.9	Confident	117 Å²	117	70.4 Å²	70.4	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-64.4	-14.1	176.5	-64.9	-13.5	0	0	0	114.3	S548 A549	S548-N552 PolarHBondContact O-N 2.94Å; S548-N552 PolarHBondContact O-ND2 3.39Å; S548-N552 PolarHBondContact O-OD1 3.03Å; A549-N552 PolarHBondContact O-N 3.29Å
553	L	84.9	Confident	86.7	Confident	21 Å²	21	74.9 Å²	74.9	11%	0.11	37%	0.371	C	S	.	.	H	α-helix	trans	-89.9	-26.3	176.2	-168.5	75.3	0	0	0	111.9	I503 T507 I508 H511 M512 A549 F550 R551	I503-L553 HydrophobicContact CD1-CD2 4.38Å; I503-L553 HydrophobicContact CD1-CG 4.29Å; I503-L553 HydrophobicContact CG2-CD2 3.91Å; T507-L553 HydrophobicContact CG2-CD1 4.21Å; I508-L553 HydrophobicContact CG1-CD2 3.74Å; H511-L553 HydrophobicContact CB-CD1 3.95Å; M512-L553 HydrophobicContact CE-CB 4.09Å; M512-L553 HydrophobicContact CE-CD2 4.21Å; A549-L553 PolarHBondContact O-N 3.25Å; A549-L553 VanDerWaalsContact O-N 3.14Å; F550-L553 HydrophobicContact CD1-CD2 4.49Å; F550-L553 WeakPolarHBondContact O-CB 3.44Å; F550-L553 PolarHBondContact O-N 2.79Å; R551-L553 PolarHBondContact O-N 3.4Å; R551-L553 VanDerWaalsContact O-N 3.11Å
554	E	76.4	Confident	86.7	Confident	103 Å²	103	74 Å²	74	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-83	-31.1	176.4	-71	-173.7	159.5	0	0	112.3	I503 F550 R551	I503-E554 HydrophobicContact CD1-CG 4.34Å; F550-E554 PolarHBondContact O-N 3.04Å; R551-E554 PolarHBondContact O-N 3.4Å; R551-E554 VanDerWaalsContact O-N 3.08Å
555	D	75.6	Confident	86.5	Confident	185 Å²	185	72.5 Å²	72.5	99%	0.989	36%	0.363	S	S	*	.			trans	-71.2	0	169.3	-68.5	-29.1	0	0	0	112	R551	R551-D555 PolarHBondContact O-N 3.29Å; R551-D555 VanDerWaalsContact O-N 3.13Å

Retrieved 555 of 555 residues in 155.4 ms (Link to these results)

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