A0A060CVM9_MAIZE Loading...

GRAS transcription factor

AlphaFold DB , UniProt , Accession A0A060CVM9, Species MAIZE (Zea mays, Maize), Gene GRAS58, Length 630 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	46.2	Very low	60 Å²	60	67.5 Å²	67.5	30%	0.296	33%	0.332	S	S	.	.				0	-52.2	0	-91.3	-80.1	-136.9	0	0	111	T3 L4 F5 E357 L590 R593	M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.33Å; M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 3.2Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-F5 PolarHBondContact O-N 3.07Å; M1-E357 PolarHBondContact N-OE2 3.37Å; M1-L590 HydrophobicContact CE-CB 3.99Å; M1-R593 VanDerWaalsContact SD-CZ 3.52Å; M1-R593 PolarHBondContact SD-NH1 2.72Å; M1-R593 PolarHBondContact SD-NH2 3.22Å; M1-R593 VanDerWaalsContact SD-NH2 3.4Å
2	D	44.3	Very low	46.6	Very low	108 Å²	108	69.6 Å²	69.6	58%	0.578	34%	0.34	S	S	*	.	H	α-helix	trans	-58.3	-33.2	178.2	-72.3	-3.1	0	0	0	114	L4 F5 R6	D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 3.03Å; D2-F5 CarbonylContact O-C 3.59Å; D2-F5 PolarHBondContact O-N 2.97Å; D2-F5 VanDerWaalsContact O-N 3.16Å; D2-R6 WeakPolarHBondContact O-CB 3.18Å; D2-R6 WeakPolarHBondContact O-CG 3.46Å; D2-R6 PolarHBondContact O-N 3.48Å
3	T	47.9	Very low	47.7	Very low	11 Å²	11	73.3 Å²	73.3	7%	0.067	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-37	173.6	-77	0	0	0	0	113.3	M1 F5 R6 L7 E357 F401	M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.33Å; T3-F5 VanDerWaalsContact C-N 3.29Å; T3-F5 PolarHBondContact O-N 3.49Å; T3-R6 PolarHBondContact O-N 3.04Å; T3-L7 HydrophobicContact CG2-CD1 3.94Å; T3-L7 HydrophobicContact CG2-CG 4.32Å; T3-L7 WeakPolarHBondContact O-CB 3.44Å; T3-L7 VanDerWaalsContact O-CG 3.26Å; T3-L7 WeakPolarHBondContact O-CG 3.24Å; T3-L7 PolarHBondContact O-N 3Å; T3-E357 WeakPolarHBondContact CB-OE1 3.44Å; T3-E357 WeakPolarHBondContact CB-OE2 3.42Å; T3-E357 PolarHBondContact N-OE1 3.05Å; T3-E357 PolarHBondContact OG1-OE1 3.19Å; T3-F401 HydrophobicContact CG2-CE2 4.22Å; T3-F401 HydrophobicContact CG2-CZ 3.74Å
4	L	42.7	Very low	48.8	Very low	21 Å²	21	75.4 Å²	75.4	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-43.7	173.9	-123.5	175.4	0	0	0	109.8	M1 D2 L7 V8 T354	M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 3.2Å; M1-L4 VanDerWaalsContact O-N 3.09Å; D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 3.03Å; L4-L7 PolarHBondContact O-N 3.34Å; L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 2.97Å; L4-T354 HydrophobicContact CB-CG2 3.84Å; L4-T354 HydrophobicContact CD1-CG2 3.83Å; L4-T354 HydrophobicContact CG-CG2 3.63Å
5	F	48.7	Very low	49.7	Very low	113 Å²	113	74.4 Å²	74.4	50%	0.496	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-41.8	176.6	-134.2	-84.6	0	0	0	112.4	M1 D2 T3 L7 V8 S9	M1-F5 PolarHBondContact O-N 3.07Å; D2-F5 CarbonylContact O-C 3.59Å; D2-F5 PolarHBondContact O-N 2.97Å; D2-F5 VanDerWaalsContact O-N 3.16Å; T3-F5 VanDerWaalsContact C-N 3.29Å; T3-F5 PolarHBondContact O-N 3.49Å; F5-L7 PolarHBondContact O-N 2.69Å; F5-V8 PolarHBondContact O-N 3.13Å; F5-S9 WeakPolarHBondContact O-CB 3.36Å; F5-S9 PolarHBondContact O-N 3.46Å; F5-S9 PolarHBondContact O-OG 2.92Å; F5-S9 VanDerWaalsContact O-OG 3.08Å
6	R	51.4	Low	50.4	Low	163 Å²	163	75.9 Å²	75.9	62%	0.615	37%	0.365	S	S	*	.	H	α-helix	trans	-61.8	-41.4	174.6	-73.2	174.5	-177.2	-175.3	2.8	111.5	D2 T3 L10	D2-R6 WeakPolarHBondContact O-CB 3.18Å; D2-R6 WeakPolarHBondContact O-CG 3.46Å; D2-R6 PolarHBondContact O-N 3.48Å; T3-R6 PolarHBondContact O-N 3.04Å; R6-L10 WeakPolarHBondContact O-CB 3.37Å; R6-L10 WeakPolarHBondContact O-CD1 3.36Å; R6-L10 WeakPolarHBondContact O-CG 3.17Å; R6-L10 PolarHBondContact O-N 3.32Å
7	L	44.5	Very low	51.5	Low	62 Å²	62	78.1 Å²	78.1	33%	0.325	37%	0.374	S	S	.	.	H	α-helix	trans	-63.8	-41.2	175.7	-72.4	168.5	0	0	0	111.7	T3 L4 F5 H11 P353	T3-L7 HydrophobicContact CG2-CD1 3.94Å; T3-L7 HydrophobicContact CG2-CG 4.32Å; T3-L7 WeakPolarHBondContact O-CB 3.44Å; T3-L7 VanDerWaalsContact O-CG 3.26Å; T3-L7 WeakPolarHBondContact O-CG 3.24Å; T3-L7 PolarHBondContact O-N 3Å; L4-L7 PolarHBondContact O-N 3.34Å; F5-L7 PolarHBondContact O-N 2.69Å; L7-H11 PolarHBondContact O-N 3.29Å; L7-H11 VanDerWaalsContact O-N 3.11Å; L7-P353 HydrophobicContact CD1-CB 3.99Å; L7-P353 HydrophobicContact CD1-CG 4.48Å
8	V	45.3	Very low	52.4	Low	15 Å²	15	80.6 Å²	80.6	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-67.9	-48.2	175.1	170.3	0	0	0	0	111.7	L4 F5 L10 H11 Q12 E298	L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 2.97Å; F5-V8 PolarHBondContact O-N 3.13Å; V8-L10 PolarHBondContact O-N 2.9Å; V8-H11 WeakPolarHBondContact O-CA 3.41Å; V8-H11 WeakPolarHBondContact O-CB 3.22Å; V8-H11 PolarHBondContact O-N 3.34Å; V8-H11 VanDerWaalsContact O-N 3.09Å; V8-Q12 PolarHBondContact O-N 2.91Å; V8-E298 HydrophobicContact CG1-CB 4.03Å; V8-E298 HydrophobicContact CG1-CG 3.67Å; V8-E298 HydrophobicContact CG2-CB 4.47Å
9	S	45.3	Very low	53.1	Low	50 Å²	50	83 Å²	83	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-37.9	178.2	-60.8	0	0	0	0	112.8	F5 H11 Q12 H13	F5-S9 WeakPolarHBondContact O-CB 3.36Å; F5-S9 PolarHBondContact O-N 3.46Å; F5-S9 PolarHBondContact O-OG 2.92Å; F5-S9 VanDerWaalsContact O-OG 3.08Å; S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact O-N 3.43Å; S9-Q12 PolarHBondContact O-N 3.09Å; S9-H13 WeakPolarHBondContact O-CB 3.49Å; S9-H13 PolarHBondContact O-N 3.43Å
10	L	50	Low	53.9	Low	120 Å²	120	85.2 Å²	85.2	63%	0.628	41%	0.406	S	S	*	.	H	α-helix	trans	-63.2	-36.8	171.6	-75.7	168.2	0	0	0	111.4	R6 V8 H14	R6-L10 WeakPolarHBondContact O-CB 3.37Å; R6-L10 WeakPolarHBondContact O-CD1 3.36Å; R6-L10 WeakPolarHBondContact O-CG 3.17Å; R6-L10 PolarHBondContact O-N 3.32Å; V8-L10 PolarHBondContact O-N 2.9Å; L10-H14 WeakPolarHBondContact O-CB 3.39Å; L10-H14 PolarHBondContact O-N 3.47Å
11	H	50.6	Low	54.7	Low	20 Å²	20	83.8 Å²	83.8	9%	0.093	41%	0.409	C	S	.	.	H	α-helix	trans	-65.3	-44.8	173.3	-170.9	70	0	0	0	111.8	L7 V8 S9 H14 Q15	L7-H11 PolarHBondContact O-N 3.29Å; L7-H11 VanDerWaalsContact O-N 3.11Å; V8-H11 WeakPolarHBondContact O-CA 3.41Å; V8-H11 WeakPolarHBondContact O-CB 3.22Å; V8-H11 PolarHBondContact O-N 3.34Å; V8-H11 VanDerWaalsContact O-N 3.09Å; S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact O-N 3.43Å; H11-H14 PolarHBondContact O-N 2.84Å; H11-Q15 PolarHBondContact NE2-NE2 3.3Å; H11-Q15 PolarHBondContact O-N 3.37Å
12	Q	50.8	Low	56.1	Low	92 Å²	92	84 Å²	84	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-44.7	178.3	-166.4	177.3	20.9	0	0	112	V8 S9 H14 Q15 Q16	V8-Q12 PolarHBondContact O-N 2.91Å; S9-Q12 PolarHBondContact O-N 3.09Å; Q12-H14 VanDerWaalsContact C-N 3.33Å; Q12-H14 PolarHBondContact O-N 2.92Å; Q12-Q15 PolarHBondContact O-N 3.44Å; Q12-Q16 WeakPolarHBondContact O-CG 3.41Å; Q12-Q16 PolarHBondContact O-N 3.29Å
13	H	61	Low	57.3	Low	118 Å²	118	81.7 Å²	81.7	55%	0.546	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-40.3	175.3	-168.5	-81	0	0	0	111.7	S9 Q16 H17	S9-H13 WeakPolarHBondContact O-CB 3.49Å; S9-H13 PolarHBondContact O-N 3.43Å; H13-Q16 PolarHBondContact O-N 3.21Å; H13-H17 AromaticContact CE1-CD2 3.86Å; H13-H17 PolarHBondContact O-N 3.36Å
14	H	63.3	Low	58.4	Low	103 Å²	103	83.8 Å²	83.8	48%	0.477	43%	0.434	S	S	.	.	H	α-helix	trans	-68.6	-37.2	177.2	-164.8	73.7	0	0	0	112.6	L10 H11 Q12 H17 H18	L10-H14 WeakPolarHBondContact O-CB 3.39Å; L10-H14 PolarHBondContact O-N 3.47Å; H11-H14 PolarHBondContact O-N 2.84Å; Q12-H14 VanDerWaalsContact C-N 3.33Å; Q12-H14 PolarHBondContact O-N 2.92Å; H14-H17 PolarHBondContact O-N 3.31Å; H14-H18 AromaticContact NE2-CD2 3.76Å; H14-H18 PolarHBondContact O-N 3.09Å
15	Q	60.9	Low	59.7	Low	60 Å²	60	86 Å²	86	28%	0.28	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-45.6	172.1	-75.2	-157.5	13.7	0	0	112.1	H11 Q12 H17 H18 Q19	H11-Q15 PolarHBondContact NE2-NE2 3.3Å; H11-Q15 PolarHBondContact O-N 3.37Å; Q12-Q15 PolarHBondContact O-N 3.44Å; Q15-H17 VanDerWaalsContact C-N 3.31Å; Q15-H17 PolarHBondContact O-N 2.97Å; Q15-H18 PolarHBondContact O-N 3.31Å; Q15-Q19 WeakPolarHBondContact O-CG 3.5Å; Q15-Q19 PolarHBondContact O-N 3.16Å
16	Q	61.5	Low	60.5	Low	99 Å²	99	84.4 Å²	84.4	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-58.9	-43.9	176.6	-75.1	178.4	-13.7	0	0	111.3	Q12 H13 H18 Q19 Q20	Q12-Q16 WeakPolarHBondContact O-CG 3.41Å; Q12-Q16 PolarHBondContact O-N 3.29Å; H13-Q16 PolarHBondContact O-N 3.21Å; Q16-H18 PolarHBondContact O-N 3.36Å; Q16-Q19 PolarHBondContact O-N 2.92Å; Q16-Q20 WeakPolarHBondContact O-CB 3.17Å; Q16-Q20 VanDerWaalsContact O-CG 3.3Å; Q16-Q20 WeakPolarHBondContact O-CG 3.13Å; Q16-Q20 PolarHBondContact O-N 2.92Å
17	H	69	Low	61.2	Low	112 Å²	112	81.3 Å²	81.3	52%	0.519	47%	0.467	S	S	.	.	H	α-helix	trans	-62.6	-39.5	176.6	-128.3	-71.7	0	0	0	112.7	H13 H14 Q15 A21	H13-H17 AromaticContact CE1-CD2 3.86Å; H13-H17 PolarHBondContact O-N 3.36Å; H14-H17 PolarHBondContact O-N 3.31Å; Q15-H17 VanDerWaalsContact C-N 3.31Å; Q15-H17 PolarHBondContact O-N 2.97Å; H17-A21 WeakPolarHBondContact O-CB 3.35Å; H17-A21 PolarHBondContact O-N 3.06Å
18	H	67.3	Low	61.6	Low	123 Å²	123	82.7 Å²	82.7	57%	0.569	48%	0.481	S	S	*	.	H	α-helix	trans	-69.2	-39.7	176.6	-112.3	-62.8	0	0	0	112.7	H14 Q15 Q16 A21 A22	H14-H18 AromaticContact NE2-CD2 3.76Å; H14-H18 PolarHBondContact O-N 3.09Å; Q15-H18 PolarHBondContact O-N 3.31Å; Q16-H18 PolarHBondContact O-N 3.36Å; H18-A21 PolarHBondContact O-N 3.48Å; H18-A22 WeakPolarHBondContact O-CB 3.31Å; H18-A22 PolarHBondContact O-N 3.22Å
19	Q	66.2	Low	61.6	Low	127 Å²	127	86.5 Å²	86.5	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-66.2	-41.8	175.3	-72.4	176	0.9	0	0	111.5	Q15 Q16 A22 A23	Q15-Q19 WeakPolarHBondContact O-CG 3.5Å; Q15-Q19 PolarHBondContact O-N 3.16Å; Q16-Q19 PolarHBondContact O-N 2.92Å; Q19-A22 PolarHBondContact O-N 3.46Å; Q19-A23 WeakPolarHBondContact O-CB 3.33Å; Q19-A23 PolarHBondContact O-N 3.36Å
20	Q	69.4	Low	61.8	Low	127 Å²	127	89.7 Å²	89.7	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-42	174.4	-74.4	175	-3.6	0	0	112.1	Q16 A23 A24	Q16-Q20 WeakPolarHBondContact O-CB 3.17Å; Q16-Q20 VanDerWaalsContact O-CG 3.3Å; Q16-Q20 WeakPolarHBondContact O-CG 3.13Å; Q16-Q20 PolarHBondContact O-N 2.92Å; Q20-A23 PolarHBondContact O-N 3.23Å; Q20-A24 VanDerWaalsContact O-CB 3.32Å; Q20-A24 WeakPolarHBondContact O-CB 3.33Å; Q20-A24 PolarHBondContact O-N 3.48Å
21	A	69.7	Low	61.4	Low	56 Å²	56	91.1 Å²	91.1	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-41.1	175.9	0	0	0	0	0	112.4	H17 H18 A24 A25	H17-A21 WeakPolarHBondContact O-CB 3.35Å; H17-A21 PolarHBondContact O-N 3.06Å; H18-A21 PolarHBondContact O-N 3.48Å; A21-A24 PolarHBondContact O-N 3.49Å; A21-A25 WeakPolarHBondContact O-CB 3.24Å; A21-A25 PolarHBondContact O-N 3.47Å
22	A	68.4	Low	61	Low	64 Å²	64	99.3 Å²	99.3	53%	0.529	58%	0.575	S	S	.	*	H	α-helix	trans	-65.7	-42.4	175.6	0	0	0	0	0	112.2	H18 Q19 A25 A26	H18-A22 WeakPolarHBondContact O-CB 3.31Å; H18-A22 PolarHBondContact O-N 3.22Å; Q19-A22 PolarHBondContact O-N 3.46Å; A22-A25 PolarHBondContact O-N 2.96Å; A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.5Å
23	A	70.2	Confident	60.6	Low	60 Å²	60	103.3 Å²	103.3	50%	0.496	59%	0.593	S	S	.	*	H	α-helix	trans	-64.4	-41.4	175.3	0	0	0	0	0	112.1	Q19 Q20 A26 S27	Q19-A23 WeakPolarHBondContact O-CB 3.33Å; Q19-A23 PolarHBondContact O-N 3.36Å; Q20-A23 PolarHBondContact O-N 3.23Å; A23-A26 PolarHBondContact O-N 3.45Å; A23-S27 WeakPolarHBondContact O-CB 3.42Å; A23-S27 PolarHBondContact O-N 3.14Å; A23-S27 PolarHBondContact O-OG 3.47Å
24	A	71.1	Confident	59.6	Low	54 Å²	54	105.7 Å²	105.7	45%	0.446	60%	0.604	S	S	.	*	H	α-helix	trans	-60.4	-48.1	175.6	0	0	0	0	0	111.5	Q20 A21 A26 S27 S28	Q20-A24 VanDerWaalsContact O-CB 3.32Å; Q20-A24 WeakPolarHBondContact O-CB 3.33Å; Q20-A24 PolarHBondContact O-N 3.48Å; A21-A24 PolarHBondContact O-N 3.49Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 3.43Å; A24-S27 WeakPolarHBondContact CA-OG 3.49Å; A24-S27 PolarHBondContact O-N 3.26Å; A24-S27 VanDerWaalsContact O-N 3.09Å; A24-S27 PolarHBondContact O-OG 3.41Å; A24-S28 PolarHBondContact O-N 2.86Å; A24-S28 VanDerWaalsContact O-N 3.12Å; A24-S28 PolarHBondContact O-OG 3.48Å
25	A	68.7	Low	58.8	Low	67 Å²	67	110.3 Å²	110.3	55%	0.554	63%	0.626	S	S	*	*	H	α-helix	trans	-62.3	-36.8	177.7	0	0	0	0	0	113	A21 A22 S28	A21-A25 WeakPolarHBondContact O-CB 3.24Å; A21-A25 PolarHBondContact O-N 3.47Å; A22-A25 PolarHBondContact O-N 2.96Å; A25-S28 PolarHBondContact O-OG 2.87Å
26	A	66.7	Low	57.9	Low	81 Å²	81	115.4 Å²	115.4	67%	0.669	65%	0.649	S	S	*	*	H	α-helix	trans	-68.9	-32.3	173.7	0	0	0	0	0	112.7	A22 A23 A24	A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.5Å; A23-A26 PolarHBondContact O-N 3.45Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 3.43Å
27	S	65.8	Low	56.9	Low	98 Å²	98	119.6 Å²	119.6	69%	0.685	67%	0.669	S	S	*	*	H	α-helix	trans	-81.6	-12.7	179.5	71.3	0	0	0	0	115	A23 A24	A23-S27 WeakPolarHBondContact O-CB 3.42Å; A23-S27 PolarHBondContact O-N 3.14Å; A23-S27 PolarHBondContact O-OG 3.47Å; A24-S27 WeakPolarHBondContact CA-OG 3.49Å; A24-S27 PolarHBondContact O-N 3.26Å; A24-S27 VanDerWaalsContact O-N 3.09Å; A24-S27 PolarHBondContact O-OG 3.41Å
28	S	53.3	Low	55.5	Low	90 Å²	90	120 Å²	120	63%	0.629	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	17	-175.5	61.7	0	0	0	0	114.6	A24 A25	A24-S28 PolarHBondContact O-N 2.86Å; A24-S28 VanDerWaalsContact O-N 3.12Å; A24-S28 PolarHBondContact O-OG 3.48Å; A25-S28 PolarHBondContact O-OG 2.87Å
29	S	44.3	Very low	54.5	Low	96 Å²	96	119.1 Å²	119.1	67%	0.671	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-85.5	122.7	175.1	-157.3	0	0	0	0	109.9
30	P	48.8	Very low	53.3	Low	116 Å²	116	123.8 Å²	123.8	75%	0.753	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-76	128.2	-171.9	28.7	-33.9	0	0	0	112.7	Q32	P30-Q32 PolarHBondContact O-N 3.33Å
31	D	41.9	Very low	51.8	Low	151 Å²	151	122.3 Å²	122.3	81%	0.807	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-54.6	132.7	172.6	-75.8	-58.7	0	0	0	112.7
32	Q	42	Very low	50.3	Low	192 Å²	192	124.7 Å²	124.7	90%	0.897	72%	0.72	S	S	*	*			trans	-120	121	153.6	-73.8	-162.7	0.7	0	0	109.8	P30	P30-Q32 PolarHBondContact O-N 3.33Å
33	H	42.8	Very low	48.8	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.815	74%	0.737	S	S	*	*			trans	-68	152.7	-169.1	-88.8	-71.5	0	0	0	114.7
34	H	40.8	Very low	47.3	Very low	167 Å²	167	134.2 Å²	134.2	77%	0.773	74%	0.743	S	S	*	*			trans	-43.7	143.2	168.1	-61.3	-68.3	0	0	0	115
35	H	45.2	Very low	45.6	Very low	201 Å²	201	137.7 Å²	137.7	93%	0.931	76%	0.758	S	S	*	*				-145.8	163.7	122	-110.6	-35	0	0	0	112.4
36	H	43.2	Very low	44.2	Very low	167 Å²	167	139.6 Å²	139.6	77%	0.773	77%	0.768	S	S	*	*			trans	-112.7	159	-155.2	-129.1	-60.1	0	0	0	111.8
37	Q	39.6	Very low	42.7	Very low	187 Å²	187	147.4 Å²	147.4	87%	0.874	78%	0.78	S	S	*	*			trans	92.6	158.6	164.4	-58.7	-177.9	21.3	0	0	118.1
38	S	40.6	Very low	41.5	Very low	119 Å²	119	147 Å²	147	83%	0.832	78%	0.777	S	S	*	*			trans	-113	173.9	-140.1	-111.2	0	0	0	0	113.5
39	P	46.4	Very low	40.8	Very low	105 Å²	105	149.4 Å²	149.4	68%	0.682	78%	0.783	S	S	*	*			trans	-108	167.5	-137.1	40.5	-38.3	0	0	0	114.9
40	Y	39.5	Very low	40.6	Very low	226 Å²	226	150.9 Å²	150.9	89%	0.886	78%	0.783	S	S	*	*			trans	-157.9	135.9	139.2	-108.1	-70.5	0	0	0	113.6
41	S	38.4	Very low	40.2	Very low	95 Å²	95	151.2 Å²	151.2	66%	0.664	78%	0.783	S	S	*	*			trans	49.7	107.2	151.5	-72.4	0	0	0	0	123
42	S	39.2	Very low	40.2	Very low	106 Å²	106	148.8 Å²	148.8	74%	0.741	78%	0.778	S	S	*	*				87.7	118.6	113.5	75.2	0	0	0	0	122.4
43	R	36.7	Very low	40.1	Very low	237 Å²	237	146.3 Å²	146.3	89%	0.894	78%	0.776	S	S	*	*			trans	77.6	122.4	131.7	-95	-174.2	173.5	-168	-2.2	121.8
44	S	38.1	Very low	39.8	Very low	88 Å²	88	141.1 Å²	141.1	62%	0.615	77%	0.77	S	S	*	*				101.6	95.6	126.4	-64.7	0	0	0	0	121.4
45	T	35.7	Very low	39.7	Very low	127 Å²	127	139.6 Å²	139.6	78%	0.779	78%	0.778	S	S	*	*				65	147.6	121.6	57.1	0	0	0	0	124
46	S	38.5	Very low	39.2	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	78%	0.778	S	S	*	*			trans	91	114.4	159.1	75.2	0	0	0	0	115.8
47	R	36.9	Very low	39	Very low	244 Å²	244	139.6 Å²	139.6	92%	0.921	78%	0.782	S	S	*	*				66.5	137.3	85.2	-79	-174.2	174.9	-171.8	-1.5	112
48	S	39.9	Very low	38.7	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	78%	0.779	S	S	*	*			cis	-176.1	166.7	14.8	34.6	0	0	0	0	112.2
49	N	38.3	Very low	38.9	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	78%	0.778	S	S	*	*			trans	67.2	145.5	160.2	-59.3	1.2	0	0	0	116.9
50	D	40.4	Very low	38.5	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	78%	0.78	S	S	*	*			cis	-155	139.5	44.3	-107.2	-50.9	0	0	0	111.8
51	T	39.3	Very low	38.3	Very low	124 Å²	124	129.3 Å²	129.3	76%	0.761	76%	0.764	S	S	*	*				51.1	138.4	105.8	66.1	0	0	0	0	116.4
52	S	42.6	Very low	38.3	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	77%	0.774	S	S	*	*			cis	-163.3	164.2	23.8	52.7	0	0	0	0	113.8
53	T	40.9	Very low	38.4	Very low	139 Å²	139	138.4 Å²	138.4	85%	0.853	78%	0.776	S	S	*	*			trans	40.7	141.7	149.6	55.3	0	0	0	0	122.5
54	G	35.4	Very low	38.5	Very low	67 Å²	67	133.1 Å²	133.1	69%	0.691	77%	0.77	S	S	*	*			cis	159.1	167.8	-0.5	0	0	0	0	0	113.1
55	S	38.5	Very low	38.6	Very low	135 Å²	135	136.9 Å²	136.9	94%	0.944	78%	0.778	S	S	*	*			trans	84.6	138	162.8	-56.5	0	0	0	0	121.2
56	R	34.6	Very low	38.7	Very low	244 Å²	244	136.1 Å²	136.1	92%	0.921	77%	0.769	S	S	*	*			trans	-93.7	156	-175.8	-60.3	163.7	161.2	-167.8	-6.6	112.8
57	S	39.1	Very low	38.9	Very low	124 Å²	124	139.8 Å²	139.8	87%	0.867	77%	0.774	S	S	*	*				177.8	152.2	122.5	34	0	0	0	0	113.5
58	S	32.8	Very low	38.9	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	76%	0.762	S	S	*	*			trans	-112	-169.6	178.7	-39.7	0	0	0	0	110
59	P	45.8	Very low	38.9	Very low	124 Å²	124	142.3 Å²	142.3	81%	0.805	78%	0.777	S	S	*	*				-124.4	178.9	-54.7	34.1	-18.2	0	0	0	112
60	S	37.3	Very low	38.8	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	78%	0.778	S	S	*	*			trans	162.2	140.3	133.8	-173.6	0	0	0	0	115
61	S	36.1	Very low	38.7	Very low	78 Å²	78	142.8 Å²	142.8	55%	0.545	78%	0.783	S	S	.	*			trans	51.9	130	145.5	59	0	0	0	0	123.1
62	Y	38.6	Very low	38.6	Very low	223 Å²	223	142 Å²	142	88%	0.875	78%	0.783	S	S	*	*				173.2	102.2	118.9	-82.1	-60.8	0	0	0	108.1
63	H	40.2	Very low	38.3	Very low	168 Å²	168	145.4 Å²	145.4	78%	0.778	79%	0.787	S	S	*	*				68.2	110.9	86.6	-103	50.5	0	0	0	117.6
64	T	39.2	Very low	38.4	Very low	127 Å²	127	144.1 Å²	144.1	78%	0.779	78%	0.781	S	S	*	*				175	118.4	128.2	31.1	0	0	0	0	110.5
65	H	40.3	Very low	38.4	Very low	167 Å²	167	148.3 Å²	148.3	77%	0.773	78%	0.782	S	S	*	*				69.1	146.1	104.9	-81.5	38.5	0	0	0	117.2
66	N	37.7	Very low	38.4	Very low	110 Å²	110	147.7 Å²	147.7	59%	0.588	78%	0.778	S	S	*	*			cis	-174.3	149.9	-22.9	-169.9	6.3	0	0	0	107.3
67	H	42.8	Very low	38.4	Very low	185 Å²	185	143.7 Å²	143.7	86%	0.856	77%	0.769	S	S	*	*			trans	177.6	134.8	139.6	-100.5	-66.5	0	0	0	112.9
68	H	37.5	Very low	38.4	Very low	146 Å²	146	149.1 Å²	149.1	68%	0.676	77%	0.773	S	S	*	*			trans	-99.4	161.5	177.5	-81.8	32.4	0	0	0	112.6
69	Y	40.2	Very low	38.3	Very low	241 Å²	241	149.1 Å²	149.1	95%	0.945	77%	0.772	S	S	*	*			trans	-141.6	149.7	139.1	-110.2	-82.4	0	0	0	111
70	H	36.4	Very low	37.8	Very low	165 Å²	165	148.3 Å²	148.3	76%	0.764	77%	0.77	S	S	*	*			trans	-150.5	134.7	-158.1	-154.6	13.6	0	0	0	111.2
71	S	38.8	Very low	37.6	Very low	111 Å²	111	147.4 Å²	147.4	78%	0.776	77%	0.768	S	S	*	*			trans	163	152.7	159.8	-81.5	0	0	0	0	110.5
72	S	35.9	Very low	37.5	Very low	109 Å²	109	149.7 Å²	149.7	76%	0.762	78%	0.784	S	S	*	*			cis	-170.1	150.1	-30.1	46.2	0	0	0	0	109.2
73	H	35.6	Very low	37.2	Very low	171 Å²	171	149.2 Å²	149.2	79%	0.792	78%	0.783	S	S	*	*			trans	-74.7	-175.4	175.7	-95.9	39.8	0	0	0	112.5
74	P	43.4	Very low	37.1	Very low	111 Å²	111	152.1 Å²	152.1	72%	0.721	79%	0.788	S	S	*	*			cis	-154	169.2	28.2	43.1	-20.2	0	0	0	122.5
75	H	37	Very low	36.8	Very low	156 Å²	156	155.7 Å²	155.7	72%	0.722	79%	0.789	S	S	*	*			trans	27.1	140.2	143.8	-67.6	-68.7	0	0	0	125.5
76	S	37.6	Very low	36.6	Very low	122 Å²	122	154.2 Å²	154.2	85%	0.853	79%	0.787	S	S	*	*				-149.1	147.9	124.2	64.6	0	0	0	0	112.4
77	H	35	Very low	37.2	Very low	160 Å²	160	154.5 Å²	154.5	74%	0.741	80%	0.795	S	S	*	*			trans	-121	153.1	178.4	-102.8	-84.4	0	0	0	109.6
78	Y	37.5	Very low	36.9	Very low	238 Å²	238	150.8 Å²	150.8	93%	0.933	80%	0.796	S	S	*	*			trans	-147.9	163.2	146.4	-115.3	-84	0	0	0	110.9
79	S	32.4	Very low	37	Very low	114 Å²	114	147.1 Å²	147.1	80%	0.797	80%	0.798	S	S	*	*			trans	-147.4	-179.4	-155.8	-168.9	0	0	0	0	114.1
80	S	34.8	Very low	36.8	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	80%	0.796	S	S	*	*			trans	87.6	125.4	174.9	-151.2	0	0	0	0	115.9
81	A	32.4	Very low	37	Very low	86 Å²	86	137.6 Å²	137.6	71%	0.711	80%	0.797	S	S	*	*			cis	100.4	122.1	16.1	0	0	0	0	0	116.5
82	S	34.8	Very low	36.9	Very low	126 Å²	126	138 Å²	138	88%	0.881	80%	0.8	S	S	*	*			trans	171.4	159.7	135.7	48.7	0	0	0	0	113.8
83	Y	31.8	Very low	37	Very low	214 Å²	214	136.9 Å²	136.9	84%	0.839	81%	0.805	S	S	*	*			trans	-93.5	167.1	-169.2	-77.3	-111.6	0	0	0	114.6
84	Y	37.2	Very low	37	Very low	229 Å²	229	134.7 Å²	134.7	90%	0.898	81%	0.81	S	S	*	*				-176	161.3	118.2	-108.4	-77.7	0	0	0	114.8
85	Y	34	Very low	36.5	Very low	201 Å²	201	133.9 Å²	133.9	79%	0.788	81%	0.812	S	S	*	*			trans	-86.3	-177.3	177.7	-91.5	-154.4	0	0	0	112.5
86	D	35.1	Very low	36.3	Very low	136 Å²	136	130.2 Å²	130.2	73%	0.727	82%	0.816	S	S	*	*			cis	-152.4	-167.3	21	-121.7	-25.5	0	0	0	110.6
87	P	50.9	Low	36	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	82%	0.815	S	S	*	*			trans	-132.5	-159.2	-152.4	41.4	-18.5	0	0	0	116.4
88	A	37	Very low	36	Very low	108 Å²	108	138 Å²	138	89%	0.893	82%	0.823	S	S	*	*			trans	113	143.8	152.3	0	0	0	0	0	119.8
89	G	38.5	Very low	35.9	Very low	69 Å²	69	137.3 Å²	137.3	71%	0.711	82%	0.821	S	S	*	*			trans	120	81	172.8	0	0	0	0	0	114.1
90	S	37.8	Very low	35.9	Very low	128 Å²	128	141.5 Å²	141.5	90%	0.895	82%	0.82	S	S	*	*				94.5	118.4	60.2	71.5	0	0	0	0	114.9
91	G	38.6	Very low	35.8	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	82%	0.819	S	S	*	*			trans	123	131.9	164.1	0	0	0	0	0	114.8
92	S	38.2	Very low	35.8	Very low	121 Å²	121	146 Å²	146	85%	0.846	82%	0.819	S	S	*	*			cis	168.3	131.6	-23.9	44	0	0	0	0	107.1
93	G	37.1	Very low	35.9	Very low	84 Å²	84	148.1 Å²	148.1	87%	0.866	82%	0.815	S	S	*	*			trans	88.2	145.9	169	0	0	0	0	0	115.5
94	S	36.3	Very low	36	Very low	126 Å²	126	146.3 Å²	146.3	88%	0.881	81%	0.814	S	S	*	*			cis	-152	164.7	-6.7	-168.6	0	0	0	0	110.3
95	A	31.8	Very low	36.4	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	81%	0.805	S	S	*	*			trans	-76.2	153.1	-169.2	0	0	0	0	0	115.1
96	G	34.6	Very low	36.7	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	80%	0.803	S	S	*	*			trans	-159.1	103	168.9	0	0	0	0	0	110.9
97	Y	29.8	Very low	36.9	Very low	211 Å²	211	135.6 Å²	135.6	83%	0.827	80%	0.804	S	S	*	*			trans	-64.4	138.3	179.9	-74.9	-108.4	0	0	0	112.2
98	Y	35.9	Very low	36.9	Very low	235 Å²	235	135.5 Å²	135.5	92%	0.922	80%	0.804	S	S	*	*			trans	-148.6	156.4	140.6	-87.8	-62.4	0	0	0	112.2
99	Y	35.9	Very low	37.2	Very low	223 Å²	223	135.9 Å²	135.9	88%	0.875	80%	0.797	S	S	*	*			trans	-73.5	148	-162.3	-93.6	-119.2	0	0	0	114.7
100	Y	30.7	Very low	37	Very low	202 Å²	202	138.5 Å²	138.5	79%	0.792	80%	0.801	S	S	*	*			trans	-70.5	134.4	153.4	-94.5	-103.9	0	0	0	109.3
101	D	33.6	Very low	36.8	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	80%	0.802	S	S	*	*			trans	-127.5	132.9	155.6	-155.5	-14.8	0	0	0	110
102	H	32.5	Very low	36.5	Very low	155 Å²	155	148 Å²	148	72%	0.718	80%	0.803	S	S	*	*			trans	-112.3	80.2	-165.9	-118.1	-50.8	0	0	0	109.2	Q104	H102-Q104 PolarHBondContact O-N 3.38Å
103	H	37.3	Very low	36.1	Very low	170 Å²	170	151 Å²	151	79%	0.787	80%	0.803	S	S	*	*			trans	-92.7	85.9	173.1	-79.7	-38.2	0	0	0	112.3
104	Q	34	Very low	35.9	Very low	177 Å²	177	155.5 Å²	155.5	83%	0.827	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.9	123.8	166.6	-168.4	175.6	16.6	0	0	109.2	H102	H102-Q104 PolarHBondContact O-N 3.38Å
105	P	44.5	Very low	35.6	Very low	109 Å²	109	155.8 Å²	155.8	71%	0.708	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.8	148.4	176.1	29.7	-33.8	0	0	0	110.8
106	P	41	Very low	35.4	Very low	115 Å²	115	154.2 Å²	154.2	75%	0.747	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-70.4	152.4	-178.5	30.2	-35.4	0	0	0	111.7
107	P	39.8	Very low	35.2	Very low	116 Å²	116	157.2 Å²	157.2	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.3	149.3	174.6	30.8	-34.9	0	0	0	111
108	P	49.2	Very low	35.1	Very low	115 Å²	115	154.7 Å²	154.7	75%	0.747	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.6	150.6	172.4	29.8	-34.4	0	0	0	111.1
109	P	44.5	Very low	34.8	Very low	115 Å²	115	151.7 Å²	151.7	75%	0.747	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67	158.4	177.4	29.2	-35.1	0	0	0	111.9
110	P	34.1	Very low	34.4	Very low	124 Å²	124	144.5 Å²	144.5	81%	0.805	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.5	147.4	-175.2	28.5	-35.3	0	0	0	112.2	Q112	P110-Q112 PolarHBondContact O-N 2.98Å
111	Y	33.2	Very low	34.1	Very low	232 Å²	232	144.7 Å²	144.7	91%	0.91	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-59.6	131	170.7	-90.3	-109.2	0	0	0	110.3
112	Q	33.2	Very low	33.9	Very low	173 Å²	173	148.5 Å²	148.5	81%	0.808	79%	0.793	S	S	*	*			trans	-103.9	114.4	167.5	-160.3	165.6	-2.8	0	0	107.4	P110 E114	P110-Q112 PolarHBondContact O-N 2.98Å; Q112-E114 PolarHBondContact O-N 3.11Å
113	E	29.3	Very low	33.8	Very low	183 Å²	183	147.7 Å²	147.7	86%	0.855	79%	0.791	S	S	*	*			trans	-72.4	108	176.6	-68.4	176.8	130.1	0	0	109.7
114	E	33.5	Very low	33.3	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	78%	0.784	S	S	*	*			trans	-101.7	90.9	161.6	-74.8	-167.4	152.6	0	0	109.6	Q112 G116	Q112-E114 PolarHBondContact O-N 3.11Å; E114-G116 PolarHBondContact O-N 3.32Å
115	C	28.8	Very low	33.4	Very low	131 Å²	131	144.6 Å²	144.6	89%	0.885	78%	0.78	S	S	*	*			trans	-65.5	112.3	159.6	-68.9	0	0	0	0	108.6
116	G	29	Very low	32.8	Very low	62 Å²	62	146 Å²	146	64%	0.639	78%	0.782	S	S	*	*			trans	-157.6	106.9	-175.6	0	0	0	0	0	114.6	E114	E114-G116 PolarHBondContact O-N 3.32Å
117	N	29.6	Very low	32.4	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	78%	0.783	S	S	*	*			trans	70.3	107	152.8	-58.9	-4.4	0	0	0	120.1	H119	N117-H119 PolarHBondContact O-N 2.91Å
118	D	27	Very low	31.8	Very low	159 Å²	159	147.6 Å²	147.6	85%	0.85	78%	0.777	S	S	*	*				-0.8	116	121.8	-80.1	-42.1	0	0	0	115.8
119	H	31.4	Very low	31	Very low	172 Å²	172	147.8 Å²	147.8	80%	0.796	78%	0.781	S	S	*	*			trans	-138.5	109.7	149.9	-81.6	-61.4	0	0	0	110.3	N117	N117-H119 PolarHBondContact O-N 2.91Å
120	G	26.2	Very low	30.2	Very low	71 Å²	71	147.6 Å²	147.6	73%	0.732	78%	0.782	S	S	*	*			trans	-66.5	154.6	177.5	0	0	0	0	0	112.6	Y122	G120-Y122 PolarHBondContact O-N 2.86Å
121	F	25.4	Very low	30	Very low	206 Å²	206	146.9 Å²	146.9	90%	0.904	78%	0.78	S	S	*	*			trans	-63.2	117.2	175.3	-69.8	-101.2	0	0	0	110.7
122	Y	28.8	Very low	29.9	Very low	214 Å²	214	140.9 Å²	140.9	84%	0.839	77%	0.772	S	S	*	*			trans	-125.3	118.6	154.2	-105.6	-95.7	0	0	0	108.6	G120	G120-Y122 PolarHBondContact O-N 2.86Å
123	M	29.3	Very low	29.7	Very low	138 Å²	138	138.7 Å²	138.7	68%	0.68	78%	0.776	S	S	*	*			trans	-86.3	107.9	163.2	-72	-88.1	-159.9	0	0	106
124	D	28.7	Very low	29.8	Very low	121 Å²	121	141.4 Å²	141.4	65%	0.647	78%	0.779	S	S	*	*			trans	-163.7	108	164.3	-85.7	-40.7	0	0	0	108.7
125	E	35.5	Very low	29.7	Very low	160 Å²	160	137.9 Å²	137.9	75%	0.748	77%	0.774	S	S	*	*			trans	-142.1	83.7	153	-81	-156.6	156.3	0	0	107.8	F127	E125-F127 HydrophobicContact CB-CD2 4.46Å; E125-F127 PolarHBondContact O-N 2.85Å
126	D	31.4	Very low	29.9	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	77%	0.774	S	S	*	*			trans	-63.1	118	165.4	-75.8	-40.3	0	0	0	110
127	F	32.9	Very low	30.1	Very low	177 Å²	177	148 Å²	148	78%	0.776	78%	0.781	S	S	*	*			trans	-115.6	48.4	166.1	-89.9	-77.3	0	0	0	111.8	E125	E125-F127 HydrophobicContact CB-CD2 4.46Å; E125-F127 PolarHBondContact O-N 2.85Å
128	S	27.8	Very low	30.4	Very low	88 Å²	88	151.4 Å²	151.4	62%	0.615	79%	0.789	S	S	*	*			trans	-121.2	95.7	162.3	-69.4	0	0	0	0	109
129	S	31.6	Very low	30.8	Very low	119 Å²	119	152.7 Å²	152.7	83%	0.832	79%	0.79	S	S	*	*			trans	-153.3	85.7	174.4	-84.1	0	0	0	0	112.1
130	S	26.7	Very low	30.8	Very low	111 Å²	111	149.2 Å²	149.2	78%	0.776	79%	0.786	S	S	*	*			trans	-67.4	128.8	153.4	-65.8	0	0	0	0	109.6
131	S	30.6	Very low	31.4	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	79%	0.793	S	S	*	*			trans	-175.7	112.7	140.7	-92.6	0	0	0	0	114.5
132	S	30.8	Very low	31.8	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	79%	0.787	S	S	*	*				52.8	98.7	119.9	-51.5	0	0	0	0	118.6	R134	S132-R134 PolarHBondContact O-N 3.05Å
133	S	29	Very low	32.3	Very low	126 Å²	126	149.2 Å²	149.2	88%	0.881	79%	0.792	S	S	*	*			trans	-51.9	111.9	162.7	36	0	0	0	0	112.8
134	R	31.5	Very low	33	Very low	241 Å²	241	146.9 Å²	146.9	91%	0.909	80%	0.795	S	S	*	*			trans	-103.6	85.4	163.4	-88.4	-175.1	164.2	-179.4	-3.5	110.9	S132 R136	S132-R134 PolarHBondContact O-N 3.05Å; R134-R136 PolarHBondContact O-N 2.71Å
135	S	31.1	Very low	34	Very low	106 Å²	106	146.8 Å²	146.8	74%	0.741	80%	0.801	S	S	*	*			trans	-59.6	117.3	160.6	176.8	0	0	0	0	109.3
136	R	34.2	Very low	34.6	Very low	235 Å²	235	145.5 Å²	145.5	89%	0.887	81%	0.807	S	S	*	*			trans	-92.9	111.4	164.9	-75.7	-170	-178.2	178.7	2.4	108.5	R134 F138	R134-R136 PolarHBondContact O-N 2.71Å; R136-F138 PolarHBondContact O-N 3.12Å
137	H	32.3	Very low	35.1	Very low	171 Å²	171	144.1 Å²	144.1	79%	0.792	81%	0.808	S	S	*	*			trans	-54.7	130.7	165.9	-69	-69.6	0	0	0	110.6
138	F	35.7	Very low	35.7	Very low	210 Å²	210	141.4 Å²	141.4	92%	0.921	81%	0.811	S	S	*	*			trans	-114.7	137.4	152.6	-113	-87.6	0	0	0	108.7	R136	R136-F138 PolarHBondContact O-N 3.12Å
139	Q	36.6	Very low	36.7	Very low	186 Å²	186	142.7 Å²	142.7	87%	0.869	82%	0.82	S	S	*	*			trans	-82.1	152	-162.9	-74.3	176.2	-23	0	0	113.8
140	S	31	Very low	37.7	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	81%	0.814	S	S	*	*			trans	-43.6	141.1	167.1	174.7	0	0	0	0	114.6
141	S	38.2	Very low	38.9	Very low	127 Å²	127	143 Å²	143	89%	0.888	81%	0.814	S	S	*	*			trans	-150.1	115.2	134.3	-83.6	0	0	0	0	110.8
142	S	34.7	Very low	39.7	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	81%	0.813	S	S	*	*			trans	-83.9	140.6	-176.5	52.4	0	0	0	0	113.3
143	R	38.4	Very low	40.5	Very low	251 Å²	251	143.6 Å²	143.6	95%	0.947	81%	0.813	S	S	*	*			trans	-151	132.5	151	-160.8	166.4	175.8	-176.1	-3.5	111.7
144	A	43.6	Very low	41.5	Very low	89 Å²	89	147.2 Å²	147.2	74%	0.736	82%	0.816	S	S	*	*			trans	-86.4	158.2	-171.4	0	0	0	0	0	114
145	P	51.3	Low	42.1	Very low	120 Å²	120	140 Å²	140	78%	0.779	81%	0.808	S	S	*	*			trans	-92.6	176.5	174.5	39.2	-36	0	0	0	112.6
146	P	47.1	Very low	42.8	Very low	133 Å²	133	144.3 Å²	144.3	86%	0.864	82%	0.816	S	S	*	*			trans	-136.5	171.3	133.2	33.7	-18.7	0	0	0	115.2
147	S	41.6	Very low	43.1	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	81%	0.81	S	S	*	*			trans	-97.2	156.7	-162.5	53.4	0	0	0	0	116.7
148	S	46.6	Very low	43.5	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	82%	0.815	S	S	*	*			trans	157.1	151.7	139.1	48.4	0	0	0	0	110.5
149	S	48.7	Very low	44	Very low	115 Å²	115	135 Å²	135	80%	0.804	81%	0.806	S	S	*	*			cis	-163.5	-173.7	-21.4	73.1	0	0	0	0	106.8
150	P	52	Low	44.8	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	80%	0.802	S	S	*	*			trans	-124.5	-163.6	-132.6	37.5	-16.6	0	0	0	116.6
151	T	51.5	Low	45.2	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	81%	0.808	S	S	*	*			trans	117.5	158.8	156.9	70.6	0	0	0	0	116.9
152	P	48.3	Very low	44.9	Very low	115 Å²	115	131.8 Å²	131.8	75%	0.747	80%	0.804	S	S	*	*				-134.2	-145.4	-71.8	44.3	-24.7	0	0	0	112.8
153	P	48.2	Very low	45	Very low	114 Å²	114	132.1 Å²	132.1	74%	0.74	81%	0.806	S	S	*	*				-119.6	170.7	-121.2	36.4	-15.8	0	0	0	116.4
154	H	48.5	Very low	44.6	Very low	203 Å²	203	126.7 Å²	126.7	94%	0.94	80%	0.801	S	S	*	*			trans	-139.5	144.1	160.3	-118.2	-79.3	0	0	0	111.7
155	A	43.8	Very low	44	Very low	90 Å²	90	127.5 Å²	127.5	74%	0.744	80%	0.801	S	S	*	*			trans	-96.7	151.5	-167.6	0	0	0	0	0	114.3
156	Q	47	Very low	43.1	Very low	195 Å²	195	127.3 Å²	127.3	91%	0.911	80%	0.803	S	S	*	*			trans	-157	165.6	153.3	-103.4	-168.7	-10.4	0	0	110.3
157	P	41	Very low	42.1	Very low	119 Å²	119	124.9 Å²	124.9	77%	0.773	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-101.2	170.2	-135.8	38.3	-38.2	0	0	0	117.7
158	Q	40	Very low	41.6	Very low	188 Å²	188	124.5 Å²	124.5	88%	0.879	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.7	148.9	-175.6	-61.6	174	-70.9	0	0	115.1
159	P	46.8	Very low	40.8	Very low	114 Å²	114	122.7 Å²	122.7	74%	0.74	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-88.5	160.4	152	35.6	-30.8	0	0	0	112.3
160	P	53	Low	40	Very low	120 Å²	120	122.2 Å²	122.2	78%	0.779	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.6	166	-175.3	31.3	-36.1	0	0	0	114.3
161	P	38.1	Very low	39.2	Very low	128 Å²	128	120 Å²	120	83%	0.831	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.6	158.7	-164.1	32.1	-36.9	0	0	0	115
162	A	32.2	Very low	39	Very low	98 Å²	98	117.5 Å²	117.5	81%	0.81	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.6	137.6	-177.2	0	0	0	0	0	113.9
163	S	37.6	Very low	39.2	Very low	118 Å²	118	114.1 Å²	114.1	83%	0.825	77%	0.774	S	S	*	*			trans	-85.3	115.4	164.8	50.3	0	0	0	0	110.8
164	T	29.7	Very low	39	Very low	137 Å²	137	110 Å²	110	84%	0.84	74%	0.744	S	S	*	*			trans	-79.5	125.5	169.9	44.6	0	0	0	0	111.6
165	S	31	Very low	38.6	Very low	106 Å²	106	107.4 Å²	107.4	74%	0.741	73%	0.733	S	S	*	*			trans	-158.5	106.7	154.6	39.7	0	0	0	0	112.9
166	S	31.4	Very low	38.3	Very low	116 Å²	116	107.6 Å²	107.6	81%	0.811	73%	0.734	S	S	*	*			trans	35.5	91.3	148.5	59.2	0	0	0	0	118.8	A168	S166-A168 PolarHBondContact O-N 3.27Å
167	G	26.9	Very low	38	Very low	82 Å²	82	101.9 Å²	101.9	85%	0.845	72%	0.72	S	S	*	*			trans	-74.5	115	150.5	0	0	0	0	0	109.8
168	A	32.4	Very low	38.2	Very low	101 Å²	101	99.7 Å²	99.7	84%	0.835	70%	0.702	S	S	*	*			trans	-71.9	135.2	166.1	0	0	0	0	0	109.1	S166 A170	S166-A168 PolarHBondContact O-N 3.27Å; A168-A170 PolarHBondContact O-N 2.83Å; A168-A170 VanDerWaalsContact O-N 3.11Å
169	G	28.2	Very low	37.9	Very low	82 Å²	82	94.8 Å²	94.8	85%	0.845	68%	0.678	S	S	*	*			trans	-69.5	106.5	-166.2	0	0	0	0	0	114	G171	G169-G171 PolarHBondContact O-N 2.93Å
170	A	32.2	Very low	37.4	Very low	105 Å²	105	93.6 Å²	93.6	87%	0.868	67%	0.672	S	S	*	*			trans	-76	78.4	160.3	0	0	0	0	0	109.5	A168 A172	A168-A170 PolarHBondContact O-N 2.83Å; A168-A170 VanDerWaalsContact O-N 3.11Å; A170-A172 PolarHBondContact O-N 3.24Å
171	G	36.1	Very low	36.3	Very low	64 Å²	64	95.5 Å²	95.5	66%	0.66	67%	0.668	S	S	*	*			trans	-61.7	129.8	165.5	0	0	0	0	0	109.3	G169 L173	G169-G171 PolarHBondContact O-N 2.93Å; G171-L173 PolarHBondContact O-N 3.32Å
172	A	45.7	Very low	36	Very low	73 Å²	73	93.9 Å²	93.9	60%	0.603	66%	0.658	S	S	*	*			trans	-57.7	135.6	177.3	0	0	0	0	0	109.8	A170 F174	A170-A172 PolarHBondContact O-N 3.24Å; A172-F174 WeakPolarHBondContact CB-O 3.22Å; A172-F174 PolarHBondContact O-N 2.89Å
173	L	54.4	Low	36	Very low	44 Å²	44	99 Å²	99	23%	0.23	67%	0.665	C	S	.	*	S	Bend	trans	-62.7	-32.8	179.9	-82.9	163.3	0	0	0	111.8	G171 R264	G171-L173 PolarHBondContact O-N 3.32Å; L173-R264 HydrophobicContact CD1-CG 4.34Å
174	F	44	Very low	35.8	Very low	28 Å²	28	97.6 Å²	97.6	12%	0.123	65%	0.651	C	S	.	*	S	Bend	trans	-146.9	155.1	177.2	-61.8	-79.2	0	0	0	109.4	A172 F179 R227 L265	A172-F174 WeakPolarHBondContact CB-O 3.22Å; A172-F174 PolarHBondContact O-N 2.89Å; F174-F179 HydrophobicContact CB-CE2 4.15Å; F174-F179 HydrophobicContact CB-CZ 4.34Å; F174-R227 HydrophobicContact CE1-CB 4.36Å; F174-R227 HydrophobicContact CZ-CB 4.29Å; F174-L265 HydrophobicContact CD2-CD2 3.61Å; F174-L265 HydrophobicContact CE2-CD2 3.32Å; F174-L265 HydrophobicContact CZ-CD2 4.46Å
175	E	38.3	Very low	35.8	Very low	148 Å²	148	99.2 Å²	99.2	69%	0.692	66%	0.655	S	S	*	*			trans	-90.9	150	171.6	-168.7	163	-162.3	0	0	109.9	A177 D178	E175-A177 PolarHBondContact O-N 3.38Å; E175-D178 PolarHBondContact N-OD2 2.86Å; E175-D178 WeakPolarHBondContact O-CB 3.41Å; E175-D178 PolarHBondContact O-N 2.92Å
176	A	37.4	Very low	35.9	Very low	93 Å²	93	96.7 Å²	96.7	77%	0.769	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-61.9	-16.1	-176.1	0	0	0	0	0	113.8	D178	A176-D178 VanDerWaalsContact C-N 3.35Å
177	A	42.1	Very low	36.1	Very low	75 Å²	75	98.8 Å²	98.8	62%	0.62	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-73.6	-21.5	174.5	0	0	0	0	0	113.8	E175 F179	E175-A177 PolarHBondContact O-N 3.38Å; A177-F179 PolarHBondContact O-N 2.96Å
178	D	43.8	Very low	36.5	Very low	73 Å²	73	99.5 Å²	99.5	39%	0.39	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-69	-17.5	-176.7	-63.2	-36.5	0	0	0	112.8	E175 A176 S180	E175-D178 PolarHBondContact N-OD2 2.86Å; E175-D178 WeakPolarHBondContact O-CB 3.41Å; E175-D178 PolarHBondContact O-N 2.92Å; A176-D178 VanDerWaalsContact C-N 3.35Å; D178-S180 PolarHBondContact O-N 3.4Å
179	F	35	Very low	36.5	Very low	86 Å²	86	100.7 Å²	100.7	38%	0.377	61%	0.611	S	S	.	*			trans	-95.3	68.1	-178.5	-60.8	-78.2	0	0	0	112.6	F174 A177	F174-F179 HydrophobicContact CB-CE2 4.15Å; F174-F179 HydrophobicContact CB-CZ 4.34Å; A177-F179 PolarHBondContact O-N 2.96Å
180	S	35.1	Very low	37	Very low	88 Å²	88	103.1 Å²	103.1	62%	0.615	60%	0.598	S	S	*	*			trans	-104.5	128.8	167.5	-67.8	0	0	0	0	110	D178 P182 Q233	D178-S180 PolarHBondContact O-N 3.4Å; S180-P182 WeakPolarHBondContact O-CD 3.47Å; S180-Q233 VanDerWaalsContact C-NE2 3.32Å; S180-Q233 PolarHBondContact O-NE2 2.98Å; S180-Q233 PolarHBondContact O-OE1 3.45Å
181	F	31	Very low	36.9	Very low	160 Å²	160	102.5 Å²	102.5	70%	0.702	59%	0.588	S	S	*	*			trans	-91	112.9	-172.4	-64.5	-89.1	0	0	0	113	Q233	F181-Q233 VanDerWaalsContact CD1-NE2 3.35Å; F181-Q233 HydrophobicContact CE1-CG 4.5Å
182	P	32.4	Very low	36.6	Very low	94 Å²	94	104.5 Å²	104.5	61%	0.61	59%	0.592	S	S	*	*			trans	-81	145.4	158.8	32.9	-32.7	0	0	0	110.8	S180 V184	S180-P182 WeakPolarHBondContact O-CD 3.47Å; P182-V184 HydrophobicContact CB-CG2 4.34Å; P182-V184 HydrophobicContact CG-CG2 4.22Å
183	Q	32	Very low	36	Very low	206 Å²	206	107.4 Å²	107.4	96%	0.963	60%	0.604	S	S	*	*			trans	-72.4	126.7	162.5	-73.9	-178.4	-100	0	0	108.9
184	V	32.1	Very low	35.1	Very low	89 Å²	89	109.8 Å²	109.8	54%	0.539	63%	0.63	S	S	.	*			trans	-136.3	120.7	174.3	-176.3	0	0	0	0	108	P182 I186	P182-V184 HydrophobicContact CB-CG2 4.34Å; P182-V184 HydrophobicContact CG-CG2 4.22Å; V184-I186 PolarHBondContact O-N 2.85Å
185	D	30.9	Very low	34.7	Very low	171 Å²	171	114.3 Å²	114.3	91%	0.914	67%	0.665	S	S	*	*			trans	-68.7	126.5	169	-69.7	-51.6	0	0	0	109.1
186	I	33.7	Very low	34.7	Very low	53 Å²	53	112.9 Å²	112.9	27%	0.272	67%	0.672	S	S	.	*			trans	-106.5	114.9	176.1	-55.7	-164.9	0	0	0	108.9	V184 L188 Q234 W237 M238	V184-I186 PolarHBondContact O-N 2.85Å; I186-L188 HydrophobicContact CG2-CD2 3.83Å; I186-L188 HydrophobicContact CG2-CG 4.13Å; I186-Q234 HydrophobicContact CD1-CG 3.91Å; I186-W237 HydrophobicContact CD1-CE3 4.06Å; I186-W237 HydrophobicContact CD1-CZ3 3.69Å; I186-W237 HydrophobicContact CG1-CZ3 4.15Å; I186-M238 HydrophobicContact CD1-SD 4.24Å; I186-M238 HydrophobicContact CG2-SD 4.26Å
187	D	34.7	Very low	34.6	Very low	160 Å²	160	114.6 Å²	114.6	86%	0.856	68%	0.678	S	S	*	*			trans	-85.7	122.9	171.1	-153	-4.6	0	0	0	109.2
188	L	34.4	Very low	34.2	Very low	96 Å²	96	114.8 Å²	114.8	50%	0.503	69%	0.687	S	S	.	*			trans	-108.2	67.9	-169.6	-73.3	176.4	0	0	0	111.9	I186 F190 M238	I186-L188 HydrophobicContact CG2-CD2 3.83Å; I186-L188 HydrophobicContact CG2-CG 4.13Å; L188-F190 HydrophobicContact CD2-CE2 4.46Å; L188-F190 PolarHBondContact O-N 3.24Å; L188-F190 VanDerWaalsContact O-N 3.07Å; L188-M238 HydrophobicContact CD2-SD 3.83Å
189	D	32.6	Very low	33.7	Very low	126 Å²	126	116.1 Å²	116.1	67%	0.674	71%	0.708	S	S	*	*			trans	-82.8	80.4	174.2	-163.5	-2.2	0	0	0	112.1	S191	D189-S191 PolarHBondContact O-N 3.35Å; D189-S191 WeakPolarHBondContact OD1-CB 3.41Å; D189-S191 PolarHBondContact OD1-N 2.93Å
190	F	40	Very low	33.4	Very low	134 Å²	134	116.8 Å²	116.8	59%	0.588	73%	0.73	S	S	*	*			trans	-76.2	54.6	169.4	-95.2	-88	0	0	0	111.5	L188 W212	L188-F190 HydrophobicContact CD2-CE2 4.46Å; L188-F190 PolarHBondContact O-N 3.24Å; L188-F190 VanDerWaalsContact O-N 3.07Å; F190-W212 HydrophobicContact CE1-CB 4.26Å; F190-W212 HydrophobicContact CZ-CB 4.23Å
191	S	30.1	Very low	33.3	Very low	92 Å²	92	117 Å²	117	64%	0.643	74%	0.737	S	S	*	*			trans	-153.3	69	177.3	-81.1	0	0	0	0	114.2	D189	D189-S191 PolarHBondContact O-N 3.35Å; D189-S191 WeakPolarHBondContact OD1-CB 3.41Å; D189-S191 PolarHBondContact OD1-N 2.93Å
192	S	29.9	Very low	33.3	Very low	106 Å²	106	114.3 Å²	114.3	74%	0.741	74%	0.738	S	S	*	*			trans	-155.8	111.6	162.2	-87.7	0	0	0	0	114	A194	S192-A194 PolarHBondContact O-N 2.95Å
193	P	32.7	Very low	33.1	Very low	133 Å²	133	115.8 Å²	115.8	86%	0.864	75%	0.75	S	S	*	*			trans	-79.8	92.7	163.2	32.1	-29.7	0	0	0	109	S195	P193-S195 PolarHBondContact O-N 2.89Å
194	A	35.9	Very low	33.5	Very low	95 Å²	95	111.7 Å²	111.7	79%	0.785	75%	0.745	S	S	*	*			trans	-67.4	104.9	178.5	0	0	0	0	0	111	S192 S196	S192-A194 PolarHBondContact O-N 2.95Å; A194-S196 PolarHBondContact O-N 3.34Å
195	S	33.7	Very low	33.6	Very low	122 Å²	122	111 Å²	111	85%	0.853	76%	0.756	S	S	*	*			trans	-64.8	119.9	179.2	52.7	0	0	0	0	112.7	P193	P193-S195 PolarHBondContact O-N 2.89Å
196	S	38.5	Very low	33.6	Very low	118 Å²	118	107.1 Å²	107.1	83%	0.825	76%	0.756	S	S	*	*			trans	-129.3	128.7	156.8	63.5	0	0	0	0	110.1	A194	A194-S196 PolarHBondContact O-N 3.34Å
197	S	37	Very low	34	Very low	130 Å²	130	106.9 Å²	106.9	91%	0.909	77%	0.766	S	S	*	*			trans	-84	118.9	-174.8	51.6	0	0	0	0	111.3
198	G	32.6	Very low	34.4	Very low	78 Å²	78	101.4 Å²	101.4	80%	0.804	75%	0.748	S	S	*	*			trans	-165.5	95.2	-179.9	0	0	0	0	0	113.5
199	A	32.9	Very low	35.1	Very low	101 Å²	101	101.3 Å²	101.3	84%	0.835	76%	0.761	S	S	*	*			trans	-27.3	135.9	178.6	0	0	0	0	0	120.4
200	A	30.2	Very low	36.9	Very low	101 Å²	101	99 Å²	99	84%	0.835	77%	0.766	S	S	*	*			trans	86.7	139.4	133.9	0	0	0	0	0	122.7
201	A	31.7	Very low	39.1	Very low	93 Å²	93	94.7 Å²	94.7	77%	0.769	75%	0.746	S	S	*	*			trans	96	111.3	152.7	0	0	0	0	0	120.7
202	S	31.6	Very low	42.3	Very low	102 Å²	102	93.2 Å²	93.2	71%	0.713	73%	0.727	S	S	*	*			trans	57.2	93.3	146.7	50.7	0	0	0	0	120.5
203	S	28.9	Very low	45.5	Very low	125 Å²	125	88.1 Å²	88.1	87%	0.874	69%	0.691	S	S	*	*			trans	10.6	109.3	132.8	55.3	0	0	0	0	118.7
204	S	38.7	Very low	48.5	Very low	120 Å²	120	82.2 Å²	82.2	84%	0.839	65%	0.653	S	S	*	*			trans	-138.4	157	156.1	59.9	0	0	0	0	110.1	G206	S204-G206 PolarHBondContact O-N 3.28Å
205	G	35.9	Very low	51.4	Low	75 Å²	75	81.4 Å²	81.4	77%	0.773	63%	0.634	S	S	*	*			trans	-55.5	129	-157.3	0	0	0	0	0	116.5	G207	G205-G207 PolarHBondContact O-N 3.01Å
206	G	30.3	Very low	54.5	Low	89 Å²	89	76.1 Å²	76.1	92%	0.918	60%	0.596	S	S	*	*			trans	-76.5	119.5	177.5	0	0	0	0	0	112.9	S204	S204-G206 PolarHBondContact O-N 3.28Å
207	G	41.7	Very low	57.3	Low	48 Å²	48	70.5 Å²	70.5	50%	0.495	56%	0.556	S	S	.	*	S	Bend	trans	-159.6	-30.1	171.1	0	0	0	0	0	114.4	G205 R211	G205-G207 PolarHBondContact O-N 3.01Å; G207-R211 WeakPolarHBondContact O-CD 3.37Å; G207-R211 PolarHBondContact O-NE 2.88Å
208	G	43.1	Very low	60.2	Low	45 Å²	45	66.4 Å²	66.4	46%	0.464	52%	0.524	S	S	.	.	S	Bend	trans	-90.9	-21.6	-177.1	0	0	0	0	0	116.6	G210 R211	G208-G210 PolarHBondContact O-N 3.19Å; G208-G210 VanDerWaalsContact O-N 3.13Å; G208-R211 PolarHBondContact O-N 3.35Å
209	A	48.3	Very low	63.3	Low	95 Å²	95	65.9 Å²	65.9	79%	0.785	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.4	-166.3	0	0	0	0	0	115.5	Q215	A209-Q215 PolarHBondContact O-NE2 2.84Å
210	G	71.6	Confident	66.4	Low	76 Å²	76	61.1 Å²	61.1	78%	0.784	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	12	-178.2	0	0	0	0	0	115.4	G208	G208-G210 PolarHBondContact O-N 3.19Å; G208-G210 VanDerWaalsContact O-N 3.13Å
211	R	86.4	Confident	69.7	Low	44 Å²	44	56.3 Å²	56.3	17%	0.166	42%	0.421	C	S	.	.			trans	-98.8	119.8	-177.6	-75.5	-178.7	175.6	-100.2	-3.6	111.7	G207 G208 A213 A214 Q215 D250 D520	G207-R211 WeakPolarHBondContact O-CD 3.37Å; G207-R211 PolarHBondContact O-NE 2.88Å; G208-R211 PolarHBondContact O-N 3.35Å; R211-A213 VanDerWaalsContact C-N 3.33Å; R211-A213 PolarHBondContact O-N 2.9Å; R211-A214 HydrophobicContact CB-CB 3.77Å; R211-A214 PolarHBondContact O-N 3.04Å; R211-Q215 WeakPolarHBondContact O-CG 3.4Å; R211-Q215 PolarHBondContact O-N 2.61Å; R211-D250 WeakPolarHBondContact CA-OD2 3.36Å; R211-D250 WeakPolarHBondContact CB-OD2 3.1Å; R211-D250 WeakPolarHBondContact CD-OD1 3.3Å; R211-D250 WeakPolarHBondContact CG-OD1 3.21Å; R211-D250 IonicContact CZ-OD1 2.71Å; R211-D250 IonicContact NE-OD1 3.64Å; R211-D250 IonicContact NH1-OD1 2.61Å; R211-D250 PolarHBondContact NH1-OD1 2.96Å; R211-D520 IonicContact CZ-OD1 3.55Å; R211-D520 IonicContact CZ-OD2 3.43Å; R211-D520 IonicContact NH1-OD1 3.65Å; R211-D520 IonicContact NH2-OD1 3.46Å; R211-D520 PolarHBondContact NH2-OD1 2.77Å; R211-D520 IonicContact NH2-OD2 3.79Å; R211-D520 PolarHBondContact NH2-OD2 2.9Å
212	W	96.6	Very high	72.8	Confident	61 Å²	61	57.9 Å²	57.9	23%	0.231	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-40.3	179.6	68.7	-95.6	0	0	0	110.6	F190 A214 Q215 L216 L242 D250 Q251 A254	F190-W212 HydrophobicContact CE1-CB 4.26Å; F190-W212 HydrophobicContact CZ-CB 4.23Å; W212-A214 PolarHBondContact O-N 2.71Å; W212-Q215 PolarHBondContact O-N 2.78Å; W212-L216 HydrophobicContact CE3-CD2 4.21Å; W212-L216 HydrophobicContact CZ3-CD2 4.16Å; W212-L216 VanDerWaalsContact O-CB 3.24Å; W212-L216 WeakPolarHBondContact O-CB 3.19Å; W212-L216 PolarHBondContact O-N 3.4Å; W212-L242 HydrophobicContact CE3-CD1 3.92Å; W212-L242 HydrophobicContact CH2-CB 3.55Å; W212-L242 HydrophobicContact CH2-CD1 4.4Å; W212-L242 HydrophobicContact CZ2-CB 4.37Å; W212-L242 HydrophobicContact CZ3-CB 3.66Å; W212-L242 HydrophobicContact CZ3-CD1 3.73Å; W212-L242 HydrophobicContact CZ3-CG 4.35Å; W212-D250 VanDerWaalsContact CD1-OD2 3.31Å; W212-D250 HydrophobicContact CD2-CB 4.39Å; W212-D250 HydrophobicContact CZ2-CB 3.84Å; W212-D250 PolarHBondContact N-OD2 2.96Å; W212-D250 VanDerWaalsContact N-OD2 3.14Å; W212-D250 VanDerWaalsContact NE1-CB 3.35Å; W212-Q251 HydrophobicContact CZ2-CG 3.92Å; W212-A254 HydrophobicContact CH2-CB 3.65Å; W212-A254 HydrophobicContact CZ3-CB 4Å
213	A	97.3	Very high	75.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.7	-40.9	-179.4	0	0	0	0	0	111.4	R211 Q215 L216 L217 D250 A254	R211-A213 VanDerWaalsContact C-N 3.33Å; R211-A213 PolarHBondContact O-N 2.9Å; A213-Q215 PolarHBondContact O-N 3.46Å; A213-L216 PolarHBondContact O-N 3.45Å; A213-L217 WeakPolarHBondContact O-CB 3.32Å; A213-L217 WeakPolarHBondContact O-CD1 3.38Å; A213-L217 WeakPolarHBondContact O-CG 3.24Å; A213-L217 PolarHBondContact O-N 2.88Å; A213-D250 HydrophobicContact CB-CB 3.57Å; A213-D250 WeakPolarHBondContact CB-O 3.49Å; A213-A254 HydrophobicContact CB-CB 4.25Å
214	A	96.3	Very high	79.1	Confident	8 Å²	8	47.5 Å²	47.5	7%	0.066	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-44.4	179.8	0	0	0	0	0	112	R211 W212 L218 L512	R211-A214 HydrophobicContact CB-CB 3.77Å; R211-A214 PolarHBondContact O-N 3.04Å; W212-A214 PolarHBondContact O-N 2.71Å; A214-L218 WeakPolarHBondContact O-CB 3.12Å; A214-L218 WeakPolarHBondContact O-CD1 3.16Å; A214-L218 VanDerWaalsContact O-CG 3.22Å; A214-L218 WeakPolarHBondContact O-CG 3.44Å; A214-L218 PolarHBondContact O-N 3.47Å; A214-L218 VanDerWaalsContact O-N 3.11Å; A214-L512 HydrophobicContact CB-CD2 4.32Å
215	Q	96.2	Very high	81.8	Confident	79 Å²	79	42.5 Å²	42.5	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-50.3	176.9	-67.6	173.2	-3.4	0	0	111.2	A209 R211 W212 A213 L218 E219	A209-Q215 PolarHBondContact O-NE2 2.84Å; R211-Q215 WeakPolarHBondContact O-CG 3.4Å; R211-Q215 PolarHBondContact O-N 2.61Å; W212-Q215 PolarHBondContact O-N 2.78Å; A213-Q215 PolarHBondContact O-N 3.46Å; Q215-L218 PolarHBondContact O-N 3.38Å; Q215-E219 PolarHBondContact O-N 3.36Å
216	L	97.9	Very high	84.5	Confident	11 Å²	11	41.9 Å²	41.9	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-41.8	-177.5	-178.9	52.2	0	0	0	112.8	W212 A213 E219 C220 L235 M238 L239 L242	W212-L216 HydrophobicContact CE3-CD2 4.21Å; W212-L216 HydrophobicContact CZ3-CD2 4.16Å; W212-L216 VanDerWaalsContact O-CB 3.24Å; W212-L216 WeakPolarHBondContact O-CB 3.19Å; W212-L216 PolarHBondContact O-N 3.4Å; A213-L216 PolarHBondContact O-N 3.45Å; L216-E219 PolarHBondContact O-N 3.32Å; L216-C220 WeakPolarHBondContact O-CB 3.36Å; L216-C220 PolarHBondContact O-N 3.38Å; L216-L235 HydrophobicContact CD1-CB 4.49Å; L216-L235 HydrophobicContact CD1-CD2 3.51Å; L216-M238 HydrophobicContact CD1-CE 3.35Å; L216-M238 HydrophobicContact CD2-CE 3.93Å; L216-M238 HydrophobicContact CD2-CG 4.28Å; L216-M238 HydrophobicContact CG-CE 4.28Å; L216-L239 HydrophobicContact CB-CD2 4.43Å; L216-L239 HydrophobicContact CD2-CD2 3.68Å; L216-L239 HydrophobicContact CD2-CG 3.84Å; L216-L239 HydrophobicContact CG-CD2 3.69Å; L216-L239 HydrophobicContact CG-CG 3.8Å; L216-L242 HydrophobicContact CD2-CD1 4.1Å
217	L	98.5	Very high	87.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-40.2	175.3	-73.2	173.4	0	0	0	112.1	A213 E219 C220 A221 L239 L253 F257 L261 F508 L512	A213-L217 WeakPolarHBondContact O-CB 3.32Å; A213-L217 WeakPolarHBondContact O-CD1 3.38Å; A213-L217 WeakPolarHBondContact O-CG 3.24Å; A213-L217 PolarHBondContact O-N 2.88Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-C220 PolarHBondContact O-N 3.1Å; L217-A221 WeakPolarHBondContact O-CB 3.49Å; L217-A221 PolarHBondContact O-N 2.87Å; L217-L239 HydrophobicContact CD2-CD1 3.89Å; L217-L239 HydrophobicContact CD2-CD2 3.68Å; L217-L239 HydrophobicContact CD2-CG 4.47Å; L217-L239 HydrophobicContact CG-CD2 4.11Å; L217-L253 HydrophobicContact CD1-CB 4.47Å; L217-F257 HydrophobicContact CD1-CB 3.69Å; L217-F257 HydrophobicContact CD1-CD2 4.05Å; L217-F257 HydrophobicContact CD1-CG 3.95Å; L217-F257 HydrophobicContact CD2-CB 3.51Å; L217-F257 HydrophobicContact CG-CB 4.21Å; L217-L261 HydrophobicContact CD2-CD1 4.32Å; L217-F508 HydrophobicContact CB-CE1 4.09Å; L217-F508 HydrophobicContact CB-CZ 4.09Å; L217-F508 WeakPolarHBondContact O-CE1 3.48Å; L217-L512 HydrophobicContact CB-CD2 4.22Å; L217-L512 HydrophobicContact CD1-CD1 3.76Å
218	L	98.1	Very high	90	Very high	44 Å²	44	44.5 Å²	44.5	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-33.4	176	-73.3	171	0	0	0	112.6	A214 Q215 R222 F508 T509 L512	A214-L218 WeakPolarHBondContact O-CB 3.12Å; A214-L218 WeakPolarHBondContact O-CD1 3.16Å; A214-L218 VanDerWaalsContact O-CG 3.22Å; A214-L218 WeakPolarHBondContact O-CG 3.44Å; A214-L218 PolarHBondContact O-N 3.47Å; A214-L218 VanDerWaalsContact O-N 3.11Å; Q215-L218 PolarHBondContact O-N 3.38Å; L218-R222 WeakPolarHBondContact O-CB 3.47Å; L218-R222 WeakPolarHBondContact O-CG 3.35Å; L218-R222 PolarHBondContact O-N 2.89Å; L218-R222 VanDerWaalsContact O-N 3.12Å; L218-R222 PolarHBondContact O-NE 2.86Å; L218-F508 HydrophobicContact CD2-CD1 4.23Å; L218-F508 HydrophobicContact CD2-CE1 4.49Å; L218-T509 HydrophobicContact CD2-CG2 4.11Å; L218-L512 HydrophobicContact CD1-CD2 4.25Å; L218-L512 HydrophobicContact CD2-CD2 3.96Å; L218-L512 HydrophobicContact CG-CD2 3.68Å
219	E	97.7	Very high	92.4	Very high	67 Å²	67	44.1 Å²	44.1	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-67.8	-44.2	170.6	-75.9	-169	-157	0	0	111.8	Q215 L216 L217 A221 R222 A223 R231 L235	Q215-E219 PolarHBondContact O-N 3.36Å; L216-E219 PolarHBondContact O-N 3.32Å; L217-E219 VanDerWaalsContact C-N 3.35Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 3.09Å; E219-R222 PolarHBondContact O-N 3.48Å; E219-A223 PolarHBondContact O-N 3.03Å; E219-R231 IonicContact OE2-CZ 3.74Å; E219-R231 IonicContact OE2-NH2 2.69Å; E219-R231 PolarHBondContact OE2-NH2 3.09Å; E219-L235 HydrophobicContact CB-CD1 3.9Å; E219-L235 HydrophobicContact CB-CD2 4.49Å
220	C	98.4	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-41.4	179.6	-164.9	0	0	0	0	111.1	L216 L217 A223 V224 L235 L239 L261	L216-C220 WeakPolarHBondContact O-CB 3.36Å; L216-C220 PolarHBondContact O-N 3.38Å; L217-C220 PolarHBondContact O-N 3.1Å; C220-A223 PolarHBondContact O-N 2.83Å; C220-V224 WeakPolarHBondContact O-CG2 3.42Å; C220-V224 PolarHBondContact O-N 3.07Å; C220-L235 HydrophobicContact CB-CB 3.97Å; C220-L235 HydrophobicContact CB-CD1 4.23Å; C220-L239 HydrophobicContact CB-CD1 3.8Å; C220-L261 HydrophobicContact CB-CD1 4.16Å
221	A	98	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-45	173.1	0	0	0	0	0	111.8	L217 E219 A223 V224 A225 F504 M505 F508	L217-A221 WeakPolarHBondContact O-CB 3.49Å; L217-A221 PolarHBondContact O-N 2.87Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 3.09Å; A221-A223 VanDerWaalsContact C-N 3.35Å; A221-A223 PolarHBondContact O-N 2.81Å; A221-V224 PolarHBondContact O-N 2.76Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 2.97Å; A221-F504 HydrophobicContact CB-CE1 4.16Å; A221-F504 HydrophobicContact CB-CZ 4.43Å; A221-M505 VanDerWaalsContact C-SD 3.51Å; A221-M505 HydrophobicContact CB-CE 4.17Å; A221-M505 HydrophobicContact CB-SD 3.77Å; A221-F508 HydrophobicContact CB-CB 4.44Å; A221-F508 HydrophobicContact CB-CD1 3.44Å; A221-F508 VanDerWaalsContact CB-CD1 3.44Å; A221-F508 HydrophobicContact CB-CD2 3.92Å; A221-F508 HydrophobicContact CB-CE1 3.53Å; A221-F508 HydrophobicContact CB-CE2 3.98Å; A221-F508 HydrophobicContact CB-CG 3.66Å; A221-F508 HydrophobicContact CB-CZ 3.8Å
222	R	97.6	Very high	96.5	Very high	126 Å²	126	45.3 Å²	45.3	48%	0.475	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-41.3	174.9	-81.6	175.1	-81.7	145.4	-7.7	112.6	L218 E219 A225 A226 M505	L218-R222 WeakPolarHBondContact O-CB 3.47Å; L218-R222 WeakPolarHBondContact O-CG 3.35Å; L218-R222 PolarHBondContact O-N 2.89Å; L218-R222 VanDerWaalsContact O-N 3.12Å; L218-R222 PolarHBondContact O-NE 2.86Å; E219-R222 PolarHBondContact O-N 3.48Å; R222-A225 WeakPolarHBondContact O-CB 3.45Å; R222-A225 PolarHBondContact O-N 2.64Å; R222-A226 WeakPolarHBondContact O-CB 3.17Å; R222-A226 PolarHBondContact O-N 3.27Å; R222-M505 HydrophobicContact CG-CE 3.65Å; R222-M505 HydrophobicContact CG-SD 3.97Å
223	A	97.4	Very high	96.5	Very high	6 Å²	6	43.7 Å²	43.7	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-40.8	176.5	0	0	0	0	0	112.3	E219 C220 A221 A225 R227 D228 R231 V232 L235	E219-A223 PolarHBondContact O-N 3.03Å; C220-A223 PolarHBondContact O-N 2.83Å; A221-A223 VanDerWaalsContact C-N 3.35Å; A221-A223 PolarHBondContact O-N 2.81Å; A223-A225 VanDerWaalsContact C-N 3.32Å; A223-R227 PolarHBondContact O-N 3.49Å; A223-R227 VanDerWaalsContact O-N 3.09Å; A223-D228 HydrophobicContact CB-CB 4.49Å; A223-D228 PolarHBondContact O-N 2.88Å; A223-R231 HydrophobicContact CB-CB 4.01Å; A223-R231 HydrophobicContact CB-CG 3.86Å; A223-V232 HydrophobicContact CB-CG2 3.65Å; A223-L235 HydrophobicContact CB-CD1 4.12Å
224	V	96.3	Very high	96.5	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-38.3	174.2	171	0	0	0	0	111.3	C220 A221 R227 V232 L261 L265 F504	C220-V224 WeakPolarHBondContact O-CG2 3.42Å; C220-V224 PolarHBondContact O-N 3.07Å; A221-V224 PolarHBondContact O-N 2.76Å; V224-R227 PolarHBondContact O-N 3.38Å; V224-V232 HydrophobicContact CB-CG2 4.28Å; V224-V232 HydrophobicContact CG2-CG1 4.08Å; V224-V232 HydrophobicContact CG2-CG2 3.62Å; V224-L261 HydrophobicContact CG2-CD2 4.27Å; V224-L265 HydrophobicContact CG1-CD2 4.14Å; V224-L265 HydrophobicContact CG2-CD1 4.21Å; V224-L265 HydrophobicContact CG2-CD2 4.05Å; V224-L265 HydrophobicContact CG2-CG 4.36Å; V224-F504 HydrophobicContact CG1-CE1 4.28Å; V224-F504 HydrophobicContact CG1-CZ 4.45Å
225	A	94.2	Very high	96.5	Very high	14 Å²	14	46.4 Å²	46.4	12%	0.116	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-51.7	178.5	0	0	0	0	0	111.1	A221 R222 A223 R227 E501 F504 M505	A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 2.97Å; R222-A225 WeakPolarHBondContact O-CB 3.45Å; R222-A225 PolarHBondContact O-N 2.64Å; A223-A225 VanDerWaalsContact C-N 3.32Å; A225-R227 PolarHBondContact O-N 2.98Å; A225-E501 HydrophobicContact CB-CG 3.52Å; A225-F504 HydrophobicContact CB-CD1 4.03Å; A225-F504 HydrophobicContact CB-CE1 4.37Å; A225-M505 HydrophobicContact CB-CG 3.84Å; A225-M505 HydrophobicContact CB-SD 3.94Å
226	A	93	Very high	96.6	Very high	63 Å²	63	43.8 Å²	43.8	52%	0.521	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	0.5	178.1	0	0	0	0	0	114.8	R222 D228	R222-A226 WeakPolarHBondContact O-CB 3.17Å; R222-A226 PolarHBondContact O-N 3.27Å; A226-D228 VanDerWaalsContact C-N 3.26Å; A226-D228 PolarHBondContact O-N 3.09Å
227	R	92.2	Very high	96.6	Very high	118 Å²	118	49 Å²	49	45%	0.445	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	30.7	-176.8	-55.2	176	179.6	-107.6	11.8	114.9	F174 A223 V224 A225 S229	F174-R227 HydrophobicContact CE1-CB 4.36Å; F174-R227 HydrophobicContact CZ-CB 4.29Å; A223-R227 PolarHBondContact O-N 3.49Å; A223-R227 VanDerWaalsContact O-N 3.09Å; V224-R227 PolarHBondContact O-N 3.38Å; A225-R227 PolarHBondContact O-N 2.98Å; R227-S229 PolarHBondContact O-N 3.4Å
228	D	95.2	Very high	96.5	Very high	74 Å²	74	50.3 Å²	50.3	40%	0.396	24%	0.239	S	C	.	.			trans	-78.6	87.8	176.1	-176.3	-18.6	0	0	0	110.1	A223 A226 Q230 R231 V232	A223-D228 HydrophobicContact CB-CB 4.49Å; A223-D228 PolarHBondContact O-N 2.88Å; A226-D228 VanDerWaalsContact C-N 3.26Å; A226-D228 PolarHBondContact O-N 3.09Å; D228-Q230 VanDerWaalsContact C-N 3.29Å; D228-Q230 PolarHBondContact O-N 3.23Å; D228-Q230 PolarHBondContact OD1-N 3.26Å; D228-R231 HydrophobicContact CB-CB 4.09Å; D228-R231 PolarHBondContact O-N 2.8Å; D228-R231 WeakPolarHBondContact OD1-CB 3.27Å; D228-R231 PolarHBondContact OD1-N 2.72Å; D228-R231 VanDerWaalsContact OD2-CB 3.24Å; D228-R231 WeakPolarHBondContact OD2-CB 3.44Å; D228-V232 WeakPolarHBondContact O-CB 3.28Å; D228-V232 WeakPolarHBondContact O-CG2 3.32Å; D228-V232 PolarHBondContact O-N 2.96Å
229	S	94.3	Very high	96.5	Very high	36 Å²	36	48.2 Å²	48.2	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-57.7	-38.5	-175.8	55.3	0	0	0	0	113.2	R227 Q233	R227-S229 PolarHBondContact O-N 3.4Å; S229-Q233 WeakPolarHBondContact O-CB 3.02Å; S229-Q233 PolarHBondContact O-N 2.92Å
230	Q	96.4	Very high	96.5	Very high	156 Å²	156	48.7 Å²	48.7	73%	0.729	23%	0.232	S	C	*	.	H	α-helix	trans	-67.5	-47.5	179.9	-66.2	-167.7	-32	0	0	111.2	D228 Q233 Q234	D228-Q230 VanDerWaalsContact C-N 3.29Å; D228-Q230 PolarHBondContact O-N 3.23Å; D228-Q230 PolarHBondContact OD1-N 3.26Å; Q230-Q233 PolarHBondContact O-N 3.45Å; Q230-Q234 PolarHBondContact O-N 2.83Å; Q230-Q234 VanDerWaalsContact O-N 3.09Å
231	R	97.3	Very high	96.5	Very high	84 Å²	84	54.3 Å²	54.3	32%	0.317	26%	0.259	S	S	.	.	H	α-helix	trans	-69	-37.2	177.7	-171	59.1	175.7	174.6	-0.4	111.5	E219 A223 D228 Q234 L235	E219-R231 IonicContact OE2-CZ 3.74Å; E219-R231 IonicContact OE2-NH2 2.69Å; E219-R231 PolarHBondContact OE2-NH2 3.09Å; A223-R231 HydrophobicContact CB-CB 4.01Å; A223-R231 HydrophobicContact CB-CG 3.86Å; D228-R231 HydrophobicContact CB-CB 4.09Å; D228-R231 PolarHBondContact O-N 2.8Å; D228-R231 WeakPolarHBondContact OD1-CB 3.27Å; D228-R231 PolarHBondContact OD1-N 2.72Å; D228-R231 VanDerWaalsContact OD2-CB 3.24Å; D228-R231 WeakPolarHBondContact OD2-CB 3.44Å; R231-Q234 PolarHBondContact O-N 2.86Å; R231-L235 HydrophobicContact CG-CD1 3.69Å; R231-L235 HydrophobicContact CG-CG 4.21Å; R231-L235 WeakPolarHBondContact O-CB 2.99Å; R231-L235 WeakPolarHBondContact O-CG 3.35Å; R231-L235 PolarHBondContact O-N 3.44Å
232	V	97.5	Very high	96.5	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-50	171.5	169	0	0	0	0	110.6	A223 V224 D228 Q234 L235 M236 L265	A223-V232 HydrophobicContact CB-CG2 3.65Å; V224-V232 HydrophobicContact CB-CG2 4.28Å; V224-V232 HydrophobicContact CG2-CG1 4.08Å; V224-V232 HydrophobicContact CG2-CG2 3.62Å; D228-V232 WeakPolarHBondContact O-CB 3.28Å; D228-V232 WeakPolarHBondContact O-CG2 3.32Å; D228-V232 PolarHBondContact O-N 2.96Å; V232-Q234 PolarHBondContact O-N 3.25Å; V232-L235 PolarHBondContact O-N 2.71Å; V232-M236 HydrophobicContact CG1-CG 3.85Å; V232-M236 WeakPolarHBondContact O-CB 3.4Å; V232-M236 WeakPolarHBondContact O-CG 3.49Å; V232-M236 PolarHBondContact O-N 2.8Å; V232-L265 HydrophobicContact CG1-CD1 3.77Å; V232-L265 HydrophobicContact CG1-CD2 4.29Å
233	Q	95.9	Very high	96.5	Very high	26 Å²	26	52.4 Å²	52.4	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-45.4	-179.2	-173	-177.3	12.2	0	0	112	S180 F181 S229 Q230 W237	S180-Q233 VanDerWaalsContact C-NE2 3.32Å; S180-Q233 PolarHBondContact O-NE2 2.98Å; S180-Q233 PolarHBondContact O-OE1 3.45Å; F181-Q233 VanDerWaalsContact CD1-NE2 3.35Å; F181-Q233 HydrophobicContact CE1-CG 4.5Å; S229-Q233 WeakPolarHBondContact O-CB 3.02Å; S229-Q233 PolarHBondContact O-N 2.92Å; Q230-Q233 PolarHBondContact O-N 3.45Å; Q233-W237 WeakPolarHBondContact O-CB 3.28Å; Q233-W237 PolarHBondContact O-N 2.87Å
234	Q	97.5	Very high	96.5	Very high	65 Å²	65	53.6 Å²	53.6	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-47.4	177.5	-172.7	-174.4	21.6	0	0	112.2	I186 Q230 R231 V232 W237 M238	I186-Q234 HydrophobicContact CD1-CG 3.91Å; Q230-Q234 PolarHBondContact O-N 2.83Å; Q230-Q234 VanDerWaalsContact O-N 3.09Å; R231-Q234 PolarHBondContact O-N 2.86Å; V232-Q234 PolarHBondContact O-N 3.25Å; Q234-W237 PolarHBondContact O-N 2.93Å; Q234-M238 PolarHBondContact O-N 3.1Å
235	L	97.9	Very high	96.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-73	-37.9	-176.4	-64.9	173.8	0	0	0	112.3	L216 E219 C220 A223 R231 V232 W237 M238 L239	L216-L235 HydrophobicContact CD1-CB 4.49Å; L216-L235 HydrophobicContact CD1-CD2 3.51Å; E219-L235 HydrophobicContact CB-CD1 3.9Å; E219-L235 HydrophobicContact CB-CD2 4.49Å; C220-L235 HydrophobicContact CB-CB 3.97Å; C220-L235 HydrophobicContact CB-CD1 4.23Å; A223-L235 HydrophobicContact CB-CD1 4.12Å; R231-L235 HydrophobicContact CG-CD1 3.69Å; R231-L235 HydrophobicContact CG-CG 4.21Å; R231-L235 WeakPolarHBondContact O-CB 2.99Å; R231-L235 WeakPolarHBondContact O-CG 3.35Å; R231-L235 PolarHBondContact O-N 3.44Å; V232-L235 PolarHBondContact O-N 2.71Å; L235-W237 VanDerWaalsContact C-N 3.35Å; L235-M238 HydrophobicContact CD2-CE 4.21Å; L235-M238 PolarHBondContact O-N 3.37Å; L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 WeakPolarHBondContact O-CG 3.3Å; L235-L239 PolarHBondContact O-N 3.14Å
236	M	97.7	Very high	96.6	Very high	24 Å²	24	61.6 Å²	61.6	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-38.7	174	-70.5	-73.1	-66.9	0	0	111.6	V232 N240 L258 L261 F262 L265	V232-M236 HydrophobicContact CG1-CG 3.85Å; V232-M236 WeakPolarHBondContact O-CB 3.4Å; V232-M236 WeakPolarHBondContact O-CG 3.49Å; V232-M236 PolarHBondContact O-N 2.8Å; M236-N240 WeakPolarHBondContact O-CB 3.39Å; M236-N240 PolarHBondContact O-N 2.84Å; M236-L258 HydrophobicContact CE-CD1 3.45Å; M236-L258 VanDerWaalsContact CE-CD1 3.45Å; M236-L258 HydrophobicContact SD-CD1 3.6Å; M236-L261 HydrophobicContact CE-CB 4.4Å; M236-L261 HydrophobicContact SD-CB 3.95Å; M236-L261 HydrophobicContact SD-CD1 4.5Å; M236-F262 HydrophobicContact CE-CB 3.86Å; M236-F262 HydrophobicContact CE-CD2 4.1Å; M236-L265 HydrophobicContact CE-CD1 3.92Å; M236-L265 HydrophobicContact CG-CD1 4.28Å; M236-L265 HydrophobicContact SD-CD1 4.07Å
237	W	97.3	Very high	96.7	Very high	120 Å²	120	59.6 Å²	59.6	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-51.3	172.3	174.8	71.5	0	0	0	111.3	I186 Q233 Q234 L235 L239 N240 E241	I186-W237 HydrophobicContact CD1-CE3 4.06Å; I186-W237 HydrophobicContact CD1-CZ3 3.69Å; I186-W237 HydrophobicContact CG1-CZ3 4.15Å; Q233-W237 WeakPolarHBondContact O-CB 3.28Å; Q233-W237 PolarHBondContact O-N 2.87Å; Q234-W237 PolarHBondContact O-N 2.93Å; L235-W237 VanDerWaalsContact C-N 3.35Å; W237-L239 VanDerWaalsContact C-N 3.31Å; W237-L239 PolarHBondContact O-N 3.29Å; W237-N240 WeakPolarHBondContact O-CA 3.48Å; W237-N240 WeakPolarHBondContact O-CB 3.21Å; W237-N240 PolarHBondContact O-N 2.75Å; W237-E241 HydrophobicContact CD2-CG 4.28Å; W237-E241 HydrophobicContact CH2-CG 4.44Å; W237-E241 HydrophobicContact CZ2-CG 3.78Å; W237-E241 PolarHBondContact O-N 3.45Å; W237-E241 VanDerWaalsContact O-N 3.09Å
238	M	97.5	Very high	96.9	Very high	28 Å²	28	58 Å²	58	14%	0.138	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-36.7	-179.1	-169.4	163.6	71.1	0	0	112.7	I186 L188 L216 Q234 L235 L242	I186-M238 HydrophobicContact CD1-SD 4.24Å; I186-M238 HydrophobicContact CG2-SD 4.26Å; L188-M238 HydrophobicContact CD2-SD 3.83Å; L216-M238 HydrophobicContact CD1-CE 3.35Å; L216-M238 HydrophobicContact CD2-CE 3.93Å; L216-M238 HydrophobicContact CD2-CG 4.28Å; L216-M238 HydrophobicContact CG-CE 4.28Å; Q234-M238 PolarHBondContact O-N 3.1Å; L235-M238 HydrophobicContact CD2-CE 4.21Å; L235-M238 PolarHBondContact O-N 3.37Å; M238-L242 HydrophobicContact CG-CD1 4.08Å; M238-L242 VanDerWaalsContact O-CG 3.31Å; M238-L242 WeakPolarHBondContact O-CG 3.27Å; M238-L242 PolarHBondContact O-N 3.02Å
239	L	97.8	Very high	97	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-42	170.3	-79.8	165.1	0	0	0	111.9	L216 L217 C220 L235 W237 E241 L242 A243 A254 L258	L216-L239 HydrophobicContact CB-CD2 4.43Å; L216-L239 HydrophobicContact CD2-CD2 3.68Å; L216-L239 HydrophobicContact CD2-CG 3.84Å; L216-L239 HydrophobicContact CG-CD2 3.69Å; L216-L239 HydrophobicContact CG-CG 3.8Å; L217-L239 HydrophobicContact CD2-CD1 3.89Å; L217-L239 HydrophobicContact CD2-CD2 3.68Å; L217-L239 HydrophobicContact CD2-CG 4.47Å; L217-L239 HydrophobicContact CG-CD2 4.11Å; C220-L239 HydrophobicContact CB-CD1 3.8Å; L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 WeakPolarHBondContact O-CG 3.3Å; L235-L239 PolarHBondContact O-N 3.14Å; W237-L239 VanDerWaalsContact C-N 3.31Å; W237-L239 PolarHBondContact O-N 3.29Å; L239-E241 PolarHBondContact O-N 3.41Å; L239-L242 PolarHBondContact O-N 3.45Å; L239-A243 WeakPolarHBondContact O-CB 3.48Å; L239-A243 PolarHBondContact O-N 3.25Å; L239-A254 HydrophobicContact CD2-CB 3.96Å; L239-L258 HydrophobicContact CB-CD1 3.91Å; L239-L258 HydrophobicContact CB-CD2 4.2Å; L239-L258 HydrophobicContact CB-CG 4.47Å; L239-L258 HydrophobicContact CD1-CD1 4.37Å
240	N	96.8	Very high	97.2	Very high	77 Å²	77	54.1 Å²	54.1	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-38.8	179.4	-178.3	86.4	0	0	0	112.9	M236 W237 L258	M236-N240 WeakPolarHBondContact O-CB 3.39Å; M236-N240 PolarHBondContact O-N 2.84Å; W237-N240 WeakPolarHBondContact O-CA 3.48Å; W237-N240 WeakPolarHBondContact O-CB 3.21Å; W237-N240 PolarHBondContact O-N 2.75Å; N240-L258 HydrophobicContact CB-CD2 4.08Å
241	E	97.9	Very high	97.3	Very high	118 Å²	118	49.5 Å²	49.5	55%	0.551	24%	0.243	S	C	*	.	H	α-helix	trans	-73.3	-27.4	179.1	-58	-52.4	111.7	0	0	113.3	W237 L239	W237-E241 HydrophobicContact CD2-CG 4.28Å; W237-E241 HydrophobicContact CH2-CG 4.44Å; W237-E241 HydrophobicContact CZ2-CG 3.78Å; W237-E241 PolarHBondContact O-N 3.45Å; W237-E241 VanDerWaalsContact O-N 3.09Å; L239-E241 PolarHBondContact O-N 3.41Å
242	L	97.8	Very high	97.3	Very high	62 Å²	62	45.6 Å²	45.6	33%	0.325	23%	0.228	S	C	.	.	H	α-helix	trans	-96.1	-28.7	-176.9	-63.1	173.6	0	0	0	113.7	W212 L216 M238 L239 Q251	W212-L242 HydrophobicContact CE3-CD1 3.92Å; W212-L242 HydrophobicContact CH2-CB 3.55Å; W212-L242 HydrophobicContact CH2-CD1 4.4Å; W212-L242 HydrophobicContact CZ2-CB 4.37Å; W212-L242 HydrophobicContact CZ3-CB 3.66Å; W212-L242 HydrophobicContact CZ3-CD1 3.73Å; W212-L242 HydrophobicContact CZ3-CG 4.35Å; L216-L242 HydrophobicContact CD2-CD1 4.1Å; M238-L242 HydrophobicContact CG-CD1 4.08Å; M238-L242 VanDerWaalsContact O-CG 3.31Å; M238-L242 WeakPolarHBondContact O-CG 3.27Å; M238-L242 PolarHBondContact O-N 3.02Å; L239-L242 PolarHBondContact O-N 3.45Å; L242-Q251 PolarHBondContact O-NE2 3.14Å
243	A	97.7	Very high	97.4	Very high	24 Å²	24	45.5 Å²	45.5	20%	0.198	23%	0.227	C	C	.	.			trans	-71.3	142.6	-173.2	0	0	0	0	0	113.5	L239 A254 L258	L239-A243 WeakPolarHBondContact O-CB 3.48Å; L239-A243 PolarHBondContact O-N 3.25Å; A243-A254 HydrophobicContact CB-CB 3.86Å; A243-L258 HydrophobicContact CB-CD2 4.34Å
244	S	97.8	Very high	97.5	Very high	31 Å²	31	44.3 Å²	44.3	22%	0.217	22%	0.222	C	C	.	.			trans	-154.5	127.2	169.4	175.6	0	0	0	0	110.6	Y246 G247 Q251 K252	S244-Y246 PolarHBondContact O-N 2.71Å; S244-Y246 VanDerWaalsContact O-N 3.14Å; S244-Y246 PolarHBondContact OG-N 2.61Å; S244-G247 PolarHBondContact O-N 3.29Å; S244-G247 PolarHBondContact OG-N 3.34Å; S244-Q251 PolarHBondContact N-O 3.06Å; S244-Q251 CarbonylContact O-C 3.56Å; S244-K252 WeakPolarHBondContact O-CA 3.23Å; S244-K252 PolarHBondContact O-N 3.24Å
245	P	96.2	Very high	97.6	Very high	36 Å²	36	42.4 Å²	42.4	23%	0.234	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-5.8	175.9	32	-35	0	0	0	112.7	S255	P245-S255 WeakPolarHBondContact CD-OG 3.42Å
246	Y	96.9	Very high	97.6	Very high	151 Å²	151	43 Å²	43	59%	0.592	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.9	3.4	-179.6	-49.6	-56.4	0	0	0	113.1	S244 L534 R538	S244-Y246 PolarHBondContact O-N 2.71Å; S244-Y246 VanDerWaalsContact O-N 3.14Å; S244-Y246 PolarHBondContact OG-N 2.61Å; Y246-L534 HydrophobicContact CD1-CD1 4.36Å; Y246-L534 HydrophobicContact CE1-CD1 4.1Å; Y246-L534 HydrophobicContact CE1-CD2 4.39Å; Y246-R538 PolarHBondContact OH-NH2 3.26Å
247	G	96	Very high	97.6	Very high	21 Å²	21	42 Å²	42	22%	0.216	21%	0.213	C	C	.	.	S	Bend	trans	-83.5	-152.1	-178.3	0	0	0	0	0	114.2	S244 K252	S244-G247 PolarHBondContact O-N 3.29Å; S244-G247 PolarHBondContact OG-N 3.34Å; G247-K252 VanDerWaalsContact O-CE 3.23Å; G247-K252 WeakPolarHBondContact O-CE 3.31Å
248	D	96.2	Very high	97.7	Very high	84 Å²	84	37.4 Å²	37.4	45%	0.449	20%	0.197	S	C	.	.			trans	-72.8	-178.2	166.8	68.5	43.6	0	0	0	112.6	D250 Q251 K252	D248-D250 PolarHBondContact O-N 2.91Å; D248-D250 WeakPolarHBondContact OD1-CA 3.26Å; D248-D250 PolarHBondContact OD1-N 3.2Å; D248-Q251 PolarHBondContact O-N 3.23Å; D248-Q251 PolarHBondContact OD1-N 3Å; D248-K252 WeakPolarHBondContact O-CB 3.47Å; D248-K252 VanDerWaalsContact O-CG 3.24Å; D248-K252 WeakPolarHBondContact O-CG 3.39Å; D248-K252 PolarHBondContact O-N 2.79Å
249	V	97.2	Very high	97.7	Very high	14 Å²	14	39.4 Å²	39.4	9%	0.085	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-39.2	-177.7	-176.9	0	0	0	0	112.6	K252 L253 M519 D520 E523	V249-K252 PolarHBondContact O-N 3.31Å; V249-L253 HydrophobicContact CG1-CD1 3.85Å; V249-L253 HydrophobicContact CG1-CG 4.16Å; V249-L253 WeakPolarHBondContact O-CB 3.35Å; V249-L253 VanDerWaalsContact O-CG 3.24Å; V249-L253 WeakPolarHBondContact O-CG 3.31Å; V249-L253 PolarHBondContact O-N 3.3Å; V249-M519 HydrophobicContact CG1-CB 3.61Å; V249-D520 WeakPolarHBondContact CG1-OD1 3.4Å; V249-E523 HydrophobicContact CG2-CB 3.71Å; V249-E523 HydrophobicContact CG2-CG 3.85Å
250	D	97.8	Very high	97.7	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.08	21%	0.206	C	C	.	.	H	α-helix	trans	-68.8	-40.1	179.2	-89.1	7.5	0	0	0	110.1	R211 W212 A213 D248 K252 L253 A254	R211-D250 WeakPolarHBondContact CA-OD2 3.36Å; R211-D250 WeakPolarHBondContact CB-OD2 3.1Å; R211-D250 WeakPolarHBondContact CD-OD1 3.3Å; R211-D250 WeakPolarHBondContact CG-OD1 3.21Å; R211-D250 IonicContact CZ-OD1 2.71Å; R211-D250 IonicContact NE-OD1 3.64Å; R211-D250 IonicContact NH1-OD1 2.61Å; R211-D250 PolarHBondContact NH1-OD1 2.96Å; W212-D250 VanDerWaalsContact CD1-OD2 3.31Å; W212-D250 HydrophobicContact CD2-CB 4.39Å; W212-D250 HydrophobicContact CZ2-CB 3.84Å; W212-D250 PolarHBondContact N-OD2 2.96Å; W212-D250 VanDerWaalsContact N-OD2 3.14Å; W212-D250 VanDerWaalsContact NE1-CB 3.35Å; A213-D250 HydrophobicContact CB-CB 3.57Å; A213-D250 WeakPolarHBondContact CB-O 3.49Å; D248-D250 PolarHBondContact O-N 2.91Å; D248-D250 WeakPolarHBondContact OD1-CA 3.26Å; D248-D250 PolarHBondContact OD1-N 3.2Å; D250-K252 PolarHBondContact O-N 3.41Å; D250-L253 PolarHBondContact O-N 2.9Å; D250-A254 VanDerWaalsContact O-CB 3.28Å; D250-A254 WeakPolarHBondContact O-CB 3.39Å; D250-A254 PolarHBondContact O-N 3.36Å
251	Q	98.3	Very high	97.8	Very high	59 Å²	59	35.7 Å²	35.7	28%	0.276	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-40.2	173.2	-65.6	-167	-73.7	0	0	113	W212 L242 S244 D248 S255	W212-Q251 HydrophobicContact CZ2-CG 3.92Å; L242-Q251 PolarHBondContact O-NE2 3.14Å; S244-Q251 PolarHBondContact N-O 3.06Å; S244-Q251 CarbonylContact O-C 3.56Å; D248-Q251 PolarHBondContact O-N 3.23Å; D248-Q251 PolarHBondContact OD1-N 3Å; Q251-S255 WeakPolarHBondContact O-CB 3.47Å; Q251-S255 PolarHBondContact O-N 2.97Å
252	K	98.3	Very high	97.8	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-47.1	175.9	-72.7	166.9	-175.7	176.6	0	111.8	S244 G247 D248 V249 D250 S255 Y256 E523 E537	S244-K252 WeakPolarHBondContact O-CA 3.23Å; S244-K252 PolarHBondContact O-N 3.24Å; G247-K252 VanDerWaalsContact O-CE 3.23Å; G247-K252 WeakPolarHBondContact O-CE 3.31Å; D248-K252 WeakPolarHBondContact O-CB 3.47Å; D248-K252 VanDerWaalsContact O-CG 3.24Å; D248-K252 WeakPolarHBondContact O-CG 3.39Å; D248-K252 PolarHBondContact O-N 2.79Å; V249-K252 PolarHBondContact O-N 3.31Å; D250-K252 PolarHBondContact O-N 3.41Å; K252-S255 PolarHBondContact O-N 3.45Å; K252-Y256 HydrophobicContact CB-CE2 4.36Å; K252-Y256 WeakPolarHBondContact O-CD2 3.39Å; K252-Y256 PolarHBondContact O-N 3.32Å; K252-E523 IonicContact NZ-OE2 2.74Å; K252-E523 PolarHBondContact NZ-OE2 3.27Å; K252-E537 WeakPolarHBondContact CE-OE1 3.36Å; K252-E537 IonicContact NZ-OE1 2.74Å; K252-E537 PolarHBondContact NZ-OE1 3.24Å; K252-E537 IonicContact NZ-OE2 3.18Å
253	L	98.5	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-49.2	176.4	-73.1	168.6	0	0	0	110.3	L217 V249 D250 S255 Y256 F257 F515 S516 M519	L217-L253 HydrophobicContact CD1-CB 4.47Å; V249-L253 HydrophobicContact CG1-CD1 3.85Å; V249-L253 HydrophobicContact CG1-CG 4.16Å; V249-L253 WeakPolarHBondContact O-CB 3.35Å; V249-L253 VanDerWaalsContact O-CG 3.24Å; V249-L253 WeakPolarHBondContact O-CG 3.31Å; V249-L253 PolarHBondContact O-N 3.3Å; D250-L253 PolarHBondContact O-N 2.9Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 2.96Å; L253-Y256 PolarHBondContact O-N 3.17Å; L253-F257 HydrophobicContact CD2-CE2 4.19Å; L253-F257 WeakPolarHBondContact O-CB 3.24Å; L253-F257 WeakPolarHBondContact O-CD2 3.5Å; L253-F257 PolarHBondContact O-N 2.88Å; L253-F515 HydrophobicContact CD2-CB 4.38Å; L253-S516 WeakPolarHBondContact CD1-OG 3.39Å; L253-M519 HydrophobicContact CD2-CG 4.05Å
254	A	98.6	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-53.8	-47.3	174.5	0	0	0	0	0	111.3	W212 A213 L239 A243 D250 L258	W212-A254 HydrophobicContact CH2-CB 3.65Å; W212-A254 HydrophobicContact CZ3-CB 4Å; A213-A254 HydrophobicContact CB-CB 4.25Å; L239-A254 HydrophobicContact CD2-CB 3.96Å; A243-A254 HydrophobicContact CB-CB 3.86Å; D250-A254 VanDerWaalsContact O-CB 3.28Å; D250-A254 WeakPolarHBondContact O-CB 3.39Å; D250-A254 PolarHBondContact O-N 3.36Å; A254-L258 WeakPolarHBondContact O-CB 3.24Å; A254-L258 PolarHBondContact O-N 2.86Å
255	S	98.6	Very high	97.7	Very high	26 Å²	26	34.6 Å²	34.6	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-51.6	-179.8	-173.1	0	0	0	0	113.7	P245 Q251 K252 L253 L258 Q259	P245-S255 WeakPolarHBondContact CD-OG 3.42Å; Q251-S255 WeakPolarHBondContact O-CB 3.47Å; Q251-S255 PolarHBondContact O-N 2.97Å; K252-S255 PolarHBondContact O-N 3.45Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 2.96Å; S255-L258 PolarHBondContact O-N 3.39Å; S255-Q259 PolarHBondContact O-N 3.47Å
256	Y	98.5	Very high	97.6	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-38.8	-176.7	-67.2	-58.7	0	0	0	112.7	K252 L253 Q259 G260 M519 E537	K252-Y256 HydrophobicContact CB-CE2 4.36Å; K252-Y256 WeakPolarHBondContact O-CD2 3.39Å; K252-Y256 PolarHBondContact O-N 3.32Å; L253-Y256 PolarHBondContact O-N 3.17Å; Y256-Q259 PolarHBondContact O-N 3.32Å; Y256-G260 PolarHBondContact O-N 3.35Å; Y256-G260 VanDerWaalsContact O-N 3.12Å; Y256-M519 HydrophobicContact CD2-CE 3.64Å; Y256-M519 HydrophobicContact CE2-CE 3.7Å; Y256-E537 HydrophobicContact CE2-CB 4.34Å
257	F	98.7	Very high	97.6	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.013	18%	0.178	C	C	.	.	H	α-helix	trans	-72.5	-34.2	175.5	-80.9	-92.2	0	0	0	112.4	L217 L253 Q259 G260 L261 F508 L512 F515 I544 V548	L217-F257 HydrophobicContact CD1-CB 3.69Å; L217-F257 HydrophobicContact CD1-CD2 4.05Å; L217-F257 HydrophobicContact CD1-CG 3.95Å; L217-F257 HydrophobicContact CD2-CB 3.51Å; L217-F257 HydrophobicContact CG-CB 4.21Å; L253-F257 HydrophobicContact CD2-CE2 4.19Å; L253-F257 WeakPolarHBondContact O-CB 3.24Å; L253-F257 WeakPolarHBondContact O-CD2 3.5Å; L253-F257 PolarHBondContact O-N 2.88Å; F257-Q259 VanDerWaalsContact C-N 3.34Å; F257-G260 PolarHBondContact O-N 3.43Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 WeakPolarHBondContact O-CG 3.42Å; F257-L261 PolarHBondContact O-N 2.91Å; F257-F508 HydrophobicContact CB-CZ 4.45Å; F257-F508 HydrophobicContact CD1-CD2 4.35Å; F257-F508 HydrophobicContact CD1-CE1 4.31Å; F257-F508 AromaticContact CD1-CE2 3.64Å; F257-F508 HydrophobicContact CD1-CE2 3.64Å; F257-F508 AromaticContact CD1-CZ 3.61Å; F257-F508 HydrophobicContact CD1-CZ 3.61Å; F257-F508 HydrophobicContact CE1-CE2 4.28Å; F257-F508 HydrophobicContact CE1-CZ 4.3Å; F257-F508 HydrophobicContact CG-CZ 4.38Å; F257-L512 HydrophobicContact CD2-CD1 4.24Å; F257-L512 HydrophobicContact CE1-CB 4.22Å; F257-L512 HydrophobicContact CE2-CD1 3.95Å; F257-L512 HydrophobicContact CZ-CB 4.03Å; F257-L512 HydrophobicContact CZ-CD1 4.19Å; F257-F515 HydrophobicContact CE2-CB 4.18Å; F257-F515 HydrophobicContact CZ-CB 4.39Å; F257-F515 HydrophobicContact CZ-CD2 4.12Å; F257-I544 HydrophobicContact CB-CG2 4.41Å; F257-I544 HydrophobicContact CD1-CG2 3.78Å; F257-I544 HydrophobicContact CD2-CD1 3.94Å; F257-I544 HydrophobicContact CD2-CG1 4.44Å; F257-I544 HydrophobicContact CD2-CG2 4.01Å; F257-I544 HydrophobicContact CE1-CG2 3.96Å; F257-I544 HydrophobicContact CE2-CD1 3.58Å; F257-I544 HydrophobicContact CE2-CG1 3.92Å; F257-I544 HydrophobicContact CE2-CG2 4.18Å; F257-I544 HydrophobicContact CG-CG2 3.81Å; F257-I544 HydrophobicContact CZ-CD1 4.17Å; F257-I544 HydrophobicContact CZ-CG1 3.99Å; F257-I544 HydrophobicContact CZ-CG2 4.14Å; F257-V548 HydrophobicContact CD1-CG2 4.22Å; F257-V548 HydrophobicContact CE1-CG2 4.34Å
258	L	98.5	Very high	97.6	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.115	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-44.2	170.9	177	64.3	0	0	0	111.2	M236 L239 N240 A243 A254 S255 G260 L261 F262	M236-L258 HydrophobicContact CE-CD1 3.45Å; M236-L258 VanDerWaalsContact CE-CD1 3.45Å; M236-L258 HydrophobicContact SD-CD1 3.6Å; L239-L258 HydrophobicContact CB-CD1 3.91Å; L239-L258 HydrophobicContact CB-CD2 4.2Å; L239-L258 HydrophobicContact CB-CG 4.47Å; L239-L258 HydrophobicContact CD1-CD1 4.37Å; N240-L258 HydrophobicContact CB-CD2 4.08Å; A243-L258 HydrophobicContact CB-CD2 4.34Å; A254-L258 WeakPolarHBondContact O-CB 3.24Å; A254-L258 PolarHBondContact O-N 2.86Å; S255-L258 PolarHBondContact O-N 3.39Å; L258-G260 VanDerWaalsContact C-N 3.33Å; L258-G260 PolarHBondContact O-N 3Å; L258-L261 PolarHBondContact O-N 2.97Å; L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.41Å; L258-F262 PolarHBondContact O-N 3.49Å
259	Q	98.2	Very high	97.5	Very high	70 Å²	70	29.5 Å²	29.5	33%	0.327	15%	0.152	S	C	.	.	H	α-helix	trans	-60.6	-41.8	175.1	-172.5	176.8	51.2	0	0	111.8	S255 Y256 F257 A263 V545	S255-Q259 PolarHBondContact O-N 3.47Å; Y256-Q259 PolarHBondContact O-N 3.32Å; F257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-A263 VanDerWaalsContact O-CB 3.26Å; Q259-A263 WeakPolarHBondContact O-CB 3.37Å; Q259-A263 PolarHBondContact O-N 2.94Å; Q259-V545 HydrophobicContact CG-CG2 4.09Å
260	G	98.1	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-48.7	173.6	0	0	0	0	0	113	Y256 F257 L258 A263 R264 V548	Y256-G260 PolarHBondContact O-N 3.35Å; Y256-G260 VanDerWaalsContact O-N 3.12Å; F257-G260 PolarHBondContact O-N 3.43Å; L258-G260 VanDerWaalsContact C-N 3.33Å; L258-G260 PolarHBondContact O-N 3Å; G260-A263 PolarHBondContact O-N 3.32Å; G260-R264 WeakPolarHBondContact O-CB 3.44Å; G260-R264 PolarHBondContact O-N 3.46Å; G260-V548 VanDerWaalsContact C-CG1 3.45Å
261	L	98.3	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-44.5	178.7	-73.4	168.6	0	0	0	111.5	L217 C220 V224 M236 F257 L258 R264 L265 F504 F508 V548	L217-L261 HydrophobicContact CD2-CD1 4.32Å; C220-L261 HydrophobicContact CB-CD1 4.16Å; V224-L261 HydrophobicContact CG2-CD2 4.27Å; M236-L261 HydrophobicContact CE-CB 4.4Å; M236-L261 HydrophobicContact SD-CB 3.95Å; M236-L261 HydrophobicContact SD-CD1 4.5Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 WeakPolarHBondContact O-CG 3.42Å; F257-L261 PolarHBondContact O-N 2.91Å; L258-L261 PolarHBondContact O-N 2.97Å; L261-R264 WeakPolarHBondContact O-CB 3.16Å; L261-R264 PolarHBondContact O-N 3.03Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 VanDerWaalsContact O-CG 3.27Å; L261-L265 WeakPolarHBondContact O-CG 3.16Å; L261-L265 PolarHBondContact O-N 3.35Å; L261-F504 HydrophobicContact CD2-CZ 4.05Å; L261-F508 HydrophobicContact CD1-CE2 4.08Å; L261-F508 HydrophobicContact CD1-CZ 4.12Å; L261-F508 HydrophobicContact CD2-CD2 4.35Å; L261-F508 HydrophobicContact CD2-CE2 3.71Å; L261-F508 HydrophobicContact CD2-CZ 4.45Å; L261-F508 HydrophobicContact CG-CE2 3.91Å; L261-F508 HydrophobicContact CG-CZ 4.47Å; L261-V548 HydrophobicContact CD2-CG1 4.13Å; L261-V548 HydrophobicContact CG-CG1 4.31Å
262	F	97.8	Very high	97	Very high	122 Å²	122	37.6 Å²	37.6	54%	0.535	19%	0.187	S	C	.	.	H	α-helix	trans	-61.2	-45.8	175.3	-173.2	-95.5	0	0	0	111.7	M236 L258 R264 L265 T266	M236-F262 HydrophobicContact CE-CB 3.86Å; M236-F262 HydrophobicContact CE-CD2 4.1Å; L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.41Å; L258-F262 PolarHBondContact O-N 3.49Å; F262-R264 VanDerWaalsContact C-N 3.27Å; F262-R264 PolarHBondContact O-N 3.22Å; F262-L265 PolarHBondContact O-N 3.01Å; F262-T266 HydrophobicContact CD1-CG2 4.13Å; F262-T266 HydrophobicContact CD2-CG2 4.44Å; F262-T266 HydrophobicContact CE1-CG2 3.73Å; F262-T266 HydrophobicContact CE2-CG2 4.07Å; F262-T266 HydrophobicContact CG-CG2 4.47Å; F262-T266 HydrophobicContact CZ-CG2 3.7Å; F262-T266 WeakPolarHBondContact O-CB 3.17Å; F262-T266 WeakPolarHBondContact O-CG2 3.39Å; F262-T266 PolarHBondContact O-N 3.16Å; F262-T266 PolarHBondContact O-OG1 2.98Å
263	A	97.6	Very high	96.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-29.5	178	0	0	0	0	0	113	Q259 G260 T267 S268 G269 T272 A549	Q259-A263 VanDerWaalsContact O-CB 3.26Å; Q259-A263 WeakPolarHBondContact O-CB 3.37Å; Q259-A263 PolarHBondContact O-N 2.94Å; G260-A263 PolarHBondContact O-N 3.32Å; A263-T267 PolarHBondContact O-N 2.87Å; A263-S268 WeakPolarHBondContact CA-OG 3.44Å; A263-S268 PolarHBondContact O-N 3.23Å; A263-S268 PolarHBondContact O-OG 3.18Å; A263-G269 PolarHBondContact O-N 3.12Å; A263-G269 VanDerWaalsContact O-N 3.14Å; A263-T272 HydrophobicContact CB-CG2 4.31Å; A263-A549 HydrophobicContact CB-CB 3.75Å
264	R	96.8	Very high	96.5	Very high	68 Å²	68	47.2 Å²	47.2	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-68.8	-52.4	171.3	-173.9	-174.2	-176.7	76.3	2.7	111.3	L173 G260 L261 F262 T266 T267 V548 A549	L173-R264 HydrophobicContact CD1-CG 4.34Å; G260-R264 WeakPolarHBondContact O-CB 3.44Å; G260-R264 PolarHBondContact O-N 3.46Å; L261-R264 WeakPolarHBondContact O-CB 3.16Å; L261-R264 PolarHBondContact O-N 3.03Å; F262-R264 VanDerWaalsContact C-N 3.27Å; F262-R264 PolarHBondContact O-N 3.22Å; R264-T266 VanDerWaalsContact C-N 3.31Å; R264-T266 PolarHBondContact O-N 3.44Å; R264-T267 PolarHBondContact O-N 2.83Å; R264-T267 VanDerWaalsContact O-N 3.1Å; R264-V548 VanDerWaalsContact CD-O 3.31Å; R264-V548 WeakPolarHBondContact CD-O 3.13Å; R264-V548 PolarHBondContact NH1-O 3.45Å; R264-A549 HydrophobicContact CB-CB 4.1Å
265	L	95.8	Very high	96.2	Very high	21 Å²	21	51.7 Å²	51.7	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-39.8	-178.2	-72.5	167.5	0	0	0	112.3	F174 V224 V232 M236 L261 F262 T267	F174-L265 HydrophobicContact CD2-CD2 3.61Å; F174-L265 HydrophobicContact CE2-CD2 3.32Å; F174-L265 HydrophobicContact CZ-CD2 4.46Å; V224-L265 HydrophobicContact CG1-CD2 4.14Å; V224-L265 HydrophobicContact CG2-CD1 4.21Å; V224-L265 HydrophobicContact CG2-CD2 4.05Å; V224-L265 HydrophobicContact CG2-CG 4.36Å; V232-L265 HydrophobicContact CG1-CD1 3.77Å; V232-L265 HydrophobicContact CG1-CD2 4.29Å; M236-L265 HydrophobicContact CE-CD1 3.92Å; M236-L265 HydrophobicContact CG-CD1 4.28Å; M236-L265 HydrophobicContact SD-CD1 4.07Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 VanDerWaalsContact O-CG 3.27Å; L261-L265 WeakPolarHBondContact O-CG 3.16Å; L261-L265 PolarHBondContact O-N 3.35Å; F262-L265 PolarHBondContact O-N 3.01Å; L265-T267 VanDerWaalsContact C-N 3.29Å; L265-T267 PolarHBondContact O-N 2.84Å
266	T	95.9	Very high	95.9	Very high	59 Å²	59	52.7 Å²	52.7	36%	0.362	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.7	178.3	57.9	0	0	0	0	114.4	F262 R264 S268	F262-T266 HydrophobicContact CD1-CG2 4.13Å; F262-T266 HydrophobicContact CD2-CG2 4.44Å; F262-T266 HydrophobicContact CE1-CG2 3.73Å; F262-T266 HydrophobicContact CE2-CG2 4.07Å; F262-T266 HydrophobicContact CG-CG2 4.47Å; F262-T266 HydrophobicContact CZ-CG2 3.7Å; F262-T266 WeakPolarHBondContact O-CB 3.17Å; F262-T266 WeakPolarHBondContact O-CG2 3.39Å; F262-T266 PolarHBondContact O-N 3.16Å; F262-T266 PolarHBondContact O-OG1 2.98Å; R264-T266 VanDerWaalsContact C-N 3.31Å; R264-T266 PolarHBondContact O-N 3.44Å; T266-S268 PolarHBondContact O-N 3.32Å; T266-S268 PolarHBondContact OG1-OG 3.17Å
267	T	95.3	Very high	95.5	Very high	108 Å²	108	54.1 Å²	54.1	66%	0.663	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	29.6	-175.2	65.1	0	0	0	0	114.5	A263 R264 L265	A263-T267 PolarHBondContact O-N 2.87Å; R264-T267 PolarHBondContact O-N 2.83Å; R264-T267 VanDerWaalsContact O-N 3.1Å; L265-T267 VanDerWaalsContact C-N 3.29Å; L265-T267 PolarHBondContact O-N 2.84Å
268	S	96.4	Very high	95	Very high	18 Å²	18	56.4 Å²	56.4	13%	0.126	29%	0.291	C	S	.	.			trans	-103.9	-2.4	-172.8	67	0	0	0	0	114.9	A263 T266 R271 T272	A263-S268 WeakPolarHBondContact CA-OG 3.44Å; A263-S268 PolarHBondContact O-N 3.23Å; A263-S268 PolarHBondContact O-OG 3.18Å; T266-S268 PolarHBondContact O-N 3.32Å; T266-S268 PolarHBondContact OG1-OG 3.17Å; S268-R271 WeakPolarHBondContact O-CA 3.48Å; S268-R271 VanDerWaalsContact O-CB 3.31Å; S268-R271 WeakPolarHBondContact O-CB 3.36Å; S268-R271 PolarHBondContact O-N 3.25Å; S268-T272 PolarHBondContact O-N 2.95Å; S268-T272 PolarHBondContact O-OG1 3.35Å; S268-T272 PolarHBondContact OG-OG1 3.46Å
269	G	95.1	Very high	94.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-34.3	-64.6	-177.7	0	0	0	0	0	116	A263 R271 T272 L273	A263-G269 PolarHBondContact O-N 3.12Å; A263-G269 VanDerWaalsContact O-N 3.14Å; G269-R271 PolarHBondContact O-N 2.77Å; G269-T272 PolarHBondContact O-N 3.45Å; G269-T272 VanDerWaalsContact O-N 3.14Å; G269-L273 WeakPolarHBondContact O-CB 3.45Å; G269-L273 PolarHBondContact O-N 3.31Å
270	P	93.1	Very high	93.9	Very high	48 Å²	48	56.4 Å²	56.4	31%	0.312	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-27.4	-179.4	-26.5	35.7	0	0	0	114.7	R274	P270-R274 WeakPolarHBondContact O-CB 3.34Å; P270-R274 PolarHBondContact O-N 2.95Å
271	R	94.4	Very high	93.3	Very high	178 Å²	178	59.3 Å²	59.3	67%	0.672	32%	0.318	S	S	*	.	H	α-helix	trans	-74.5	-47.8	174.2	-171.8	-171.6	-61.9	144.9	3.7	110.2	S268 G269 R274 T275	S268-R271 WeakPolarHBondContact O-CA 3.48Å; S268-R271 VanDerWaalsContact O-CB 3.31Å; S268-R271 WeakPolarHBondContact O-CB 3.36Å; S268-R271 PolarHBondContact O-N 3.25Å; G269-R271 PolarHBondContact O-N 2.77Å; R271-R274 PolarHBondContact O-N 2.71Å; R271-T275 PolarHBondContact O-N 2.76Å; R271-T275 PolarHBondContact O-OG1 3.04Å; R271-T275 VanDerWaalsContact O-OG1 3.13Å
272	T	95.1	Very high	92.6	Very high	31 Å²	31	69.9 Å²	69.9	19%	0.19	36%	0.358	C	S	.	.	H	α-helix	trans	-58.2	-49.5	177.4	-57.6	0	0	0	0	110.8	A263 S268 G269 R274 T275 L276 V545	A263-T272 HydrophobicContact CB-CG2 4.31Å; S268-T272 PolarHBondContact O-N 2.95Å; S268-T272 PolarHBondContact O-OG1 3.35Å; S268-T272 PolarHBondContact OG-OG1 3.46Å; G269-T272 PolarHBondContact O-N 3.45Å; G269-T272 VanDerWaalsContact O-N 3.14Å; T272-R274 PolarHBondContact O-N 2.92Å; T272-T275 PolarHBondContact O-N 3.39Å; T272-L276 HydrophobicContact CG2-CD1 4.04Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 2.75Å; T272-V545 HydrophobicContact CG2-CG1 4.09Å
273	L	93.3	Very high	91.9	Very high	39 Å²	39	70.2 Å²	70.2	20%	0.204	37%	0.365	C	S	.	.	H	α-helix	trans	-58.9	-44.5	177.5	-176.9	60.5	0	0	0	112.1	G269 T275 L276 A277 R542 V545 D546	G269-L273 WeakPolarHBondContact O-CB 3.45Å; G269-L273 PolarHBondContact O-N 3.31Å; L273-T275 PolarHBondContact O-N 2.99Å; L273-L276 PolarHBondContact O-N 3.37Å; L273-A277 VanDerWaalsContact O-CB 3.3Å; L273-A277 WeakPolarHBondContact O-CB 3.31Å; L273-A277 PolarHBondContact O-N 3.31Å; L273-R542 HydrophobicContact CD1-CB 3.99Å; L273-R542 WeakPolarHBondContact CD1-O 3.49Å; L273-V545 HydrophobicContact CB-CG1 4.31Å; L273-D546 HydrophobicContact CD2-CB 3.9Å
274	R	92	Very high	91.3	Very high	165 Å²	165	72 Å²	72	62%	0.623	38%	0.377	S	S	*	.	H	α-helix	trans	-62.1	-42.3	176.7	-173.4	-178.8	-63.7	121	3.2	112.2	P270 R271 T272 A277 A278	P270-R274 WeakPolarHBondContact O-CB 3.34Å; P270-R274 PolarHBondContact O-N 2.95Å; R271-R274 PolarHBondContact O-N 2.71Å; T272-R274 PolarHBondContact O-N 2.92Å; R274-A277 PolarHBondContact O-N 3.16Å; R274-A278 VanDerWaalsContact O-CB 3.32Å; R274-A278 WeakPolarHBondContact O-CB 3.22Å; R274-A278 PolarHBondContact O-N 3.16Å
275	T	93.1	Very high	91.1	Very high	93 Å²	93	71.4 Å²	71.4	57%	0.571	38%	0.383	S	S	*	.	H	α-helix	trans	-63.4	-47.7	176.8	-60.1	0	0	0	0	111.3	R271 T272 L273 A277 A278 A279	R271-T275 PolarHBondContact O-N 2.76Å; R271-T275 PolarHBondContact O-OG1 3.04Å; R271-T275 VanDerWaalsContact O-OG1 3.13Å; T272-T275 PolarHBondContact O-N 3.39Å; L273-T275 PolarHBondContact O-N 2.99Å; T275-A277 VanDerWaalsContact C-N 3.34Å; T275-A277 PolarHBondContact O-N 3.31Å; T275-A278 PolarHBondContact O-N 2.8Å; T275-A279 WeakPolarHBondContact O-CB 3.18Å; T275-A279 PolarHBondContact O-N 3.23Å
276	L	92.8	Very high	90.9	Very high	48 Å²	48	71.3 Å²	71.3	25%	0.251	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-37.9	178.3	-65.9	172.3	0	0	0	112.4	T272 L273 S280 R542 V545	T272-L276 HydrophobicContact CG2-CD1 4.04Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 2.75Å; L273-L276 PolarHBondContact O-N 3.37Å; L276-S280 PolarHBondContact O-N 2.94Å; L276-S280 VanDerWaalsContact O-N 3.08Å; L276-R542 HydrophobicContact CB-CG 3.79Å; L276-R542 HydrophobicContact CD1-CG 4.29Å; L276-V545 HydrophobicContact CD1-CG2 4.21Å
277	A	89.1	Confident	90.8	Very high	43 Å²	43	72 Å²	72	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-66.8	-44.9	174.9	0	0	0	0	0	111.8	L273 R274 T275 A279 S280 D281	L273-A277 VanDerWaalsContact O-CB 3.3Å; L273-A277 WeakPolarHBondContact O-CB 3.31Å; L273-A277 PolarHBondContact O-N 3.31Å; R274-A277 PolarHBondContact O-N 3.16Å; T275-A277 VanDerWaalsContact C-N 3.34Å; T275-A277 PolarHBondContact O-N 3.31Å; A277-A279 PolarHBondContact O-N 3.48Å; A277-S280 WeakPolarHBondContact O-CB 3.49Å; A277-S280 PolarHBondContact O-N 3.23Å; A277-D281 WeakPolarHBondContact O-CB 3.1Å; A277-D281 PolarHBondContact O-N 3.15Å
278	A	87.7	Confident	90.6	Very high	51 Å²	51	68.6 Å²	68.6	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-36.9	177.8	0	0	0	0	0	112.8	R274 T275 D281 R282	R274-A278 VanDerWaalsContact O-CB 3.32Å; R274-A278 WeakPolarHBondContact O-CB 3.22Å; R274-A278 PolarHBondContact O-N 3.16Å; T275-A278 PolarHBondContact O-N 2.8Å; A278-D281 PolarHBondContact O-N 3.1Å; A278-R282 WeakPolarHBondContact O-CG 3.31Å; A278-R282 PolarHBondContact O-N 3.4Å
279	A	88.5	Confident	90.4	Very high	46 Å²	46	68.7 Å²	68.7	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-46.4	171.8	0	0	0	0	0	111.2	T275 A277 D281 R282 N283	T275-A279 WeakPolarHBondContact O-CB 3.18Å; T275-A279 PolarHBondContact O-N 3.23Å; A277-A279 PolarHBondContact O-N 3.48Å; A279-D281 VanDerWaalsContact C-N 3.32Å; A279-D281 PolarHBondContact O-N 3.38Å; A279-R282 PolarHBondContact O-N 3.05Å; A279-N283 PolarHBondContact O-OD1 2.59Å
280	S	86.6	Confident	90.3	Very high	46 Å²	46	72.5 Å²	72.5	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-60.5	-39.9	176	-165.7	0	0	0	0	112.6	L276 A277 N283 T284 R542	L276-S280 PolarHBondContact O-N 2.94Å; L276-S280 VanDerWaalsContact O-N 3.08Å; A277-S280 WeakPolarHBondContact O-CB 3.49Å; A277-S280 PolarHBondContact O-N 3.23Å; S280-N283 PolarHBondContact O-N 3.42Å; S280-T284 PolarHBondContact O-N 3.22Å; S280-T284 PolarHBondContact O-OG1 3.11Å; S280-R542 PolarHBondContact OG-NH1 2.75Å
281	D	84.4	Confident	90.4	Very high	60 Å²	60	75 Å²	75	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-68.5	-32.9	-176.3	-168	56.7	0	0	0	113.2	A277 A278 A279 N283 T284 S384	A277-D281 WeakPolarHBondContact O-CB 3.1Å; A277-D281 PolarHBondContact O-N 3.15Å; A278-D281 PolarHBondContact O-N 3.1Å; A279-D281 VanDerWaalsContact C-N 3.32Å; A279-D281 PolarHBondContact O-N 3.38Å; D281-N283 PolarHBondContact O-N 3.09Å; D281-T284 WeakPolarHBondContact O-CB 3.26Å; D281-T284 PolarHBondContact O-N 3.45Å; D281-T284 VanDerWaalsContact O-N 3.11Å; D281-S384 VanDerWaalsContact CG-OG 3.22Å; D281-S384 WeakPolarHBondContact OD1-CB 3.26Å; D281-S384 PolarHBondContact OD1-OG 3.14Å; D281-S384 VanDerWaalsContact OD1-OG 3.12Å; D281-S384 WeakPolarHBondContact OD2-CB 3.46Å; D281-S384 PolarHBondContact OD2-OG 2.85Å
282	R	84.3	Confident	90.4	Very high	222 Å²	222	68 Å²	68	84%	0.838	36%	0.358	S	S	*	.	H	α-helix	trans	-60.2	-27.3	173.5	-73.4	173.5	176.7	-167.1	-1.3	113.3	A278 A279	A278-R282 WeakPolarHBondContact O-CG 3.31Å; A278-R282 PolarHBondContact O-N 3.4Å; A279-R282 PolarHBondContact O-N 3.05Å
283	N	82.4	Confident	90.4	Very high	129 Å²	129	67.5 Å²	67.5	69%	0.69	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	3.3	-179.9	-65.3	74.7	0	0	0	112.9	A279 S280 D281 S285 S288	A279-N283 PolarHBondContact O-OD1 2.59Å; S280-N283 PolarHBondContact O-N 3.42Å; D281-N283 PolarHBondContact O-N 3.09Å; N283-S285 PolarHBondContact O-N 2.85Å; N283-S288 PolarHBondContact O-OG 2.97Å
284	T	86.5	Confident	90.5	Very high	40 Å²	40	66.9 Å²	66.9	25%	0.245	35%	0.354	C	S	.	.			trans	-77.9	117.3	177.2	-61.9	0	0	0	0	110.9	S280 D281 A386 V390	S280-T284 PolarHBondContact O-N 3.22Å; S280-T284 PolarHBondContact O-OG1 3.11Å; D281-T284 WeakPolarHBondContact O-CB 3.26Å; D281-T284 PolarHBondContact O-N 3.45Å; D281-T284 VanDerWaalsContact O-N 3.11Å; T284-A386 HydrophobicContact CG2-CB 4.11Å; T284-V390 HydrophobicContact CG2-CG2 4.2Å
285	S	91	Very high	90.7	Very high	55 Å²	55	61.6 Å²	61.6	39%	0.385	33%	0.334	S	S	.	.			trans	-133.5	164.7	167.2	74.8	0	0	0	0	109.4	N283 D287 S288 T289	N283-S285 PolarHBondContact O-N 2.85Å; S285-D287 PolarHBondContact O-N 3.47Å; S285-D287 PolarHBondContact OG-N 2.68Å; S285-S288 PolarHBondContact N-OG 3.41Å; S285-S288 PolarHBondContact O-N 3.02Å; S285-S288 PolarHBondContact O-OG 2.97Å; S285-S288 PolarHBondContact OG-N 3.31Å; S285-S288 VanDerWaalsContact OG-N 3.13Å; S285-S288 PolarHBondContact OG-OG 2.77Å; S285-T289 WeakPolarHBondContact O-CB 3.43Å; S285-T289 PolarHBondContact O-N 2.67Å; S285-T289 PolarHBondContact O-OG1 2.96Å; S285-T289 VanDerWaalsContact O-OG1 3.14Å
286	F	91.5	Very high	90.9	Very high	19 Å²	19	58.2 Å²	58.2	8%	0.083	31%	0.311	C	S	.	.	H	α-helix	trans	-56.8	-38.8	174.9	173.1	-94.3	0	0	0	111.1	R290 V390 E393 I394	F286-R290 HydrophobicContact CE1-CB 4.28Å; F286-R290 HydrophobicContact CZ-CB 4.33Å; F286-R290 HydrophobicContact CZ-CG 4.49Å; F286-R290 WeakPolarHBondContact O-CB 3.42Å; F286-R290 PolarHBondContact O-N 3.11Å; F286-V390 HydrophobicContact CB-CG2 4.43Å; F286-V390 HydrophobicContact CD2-CG1 4.41Å; F286-E393 HydrophobicContact CB-CB 4.35Å; F286-E393 WeakPolarHBondContact CB-OE2 3.46Å; F286-E393 WeakPolarHBondContact CD1-OE1 3.42Å; F286-E393 HydrophobicContact CD2-CB 3.7Å; F286-E393 HydrophobicContact CE2-CB 4.2Å; F286-E393 HydrophobicContact CG-CB 3.98Å; F286-E393 HydrophobicContact CG-CG 4.42Å; F286-E393 WeakPolarHBondContact CG-OE1 3.44Å; F286-I394 HydrophobicContact CD2-CG1 4.13Å; F286-I394 HydrophobicContact CE2-CG1 3.74Å
287	D	93.6	Very high	91	Very high	72 Å²	72	56.4 Å²	56.4	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-68.8	-41.8	178.8	-76	-49.2	0	0	0	114	S285 R290 R291	S285-D287 PolarHBondContact O-N 3.47Å; S285-D287 PolarHBondContact OG-N 2.68Å; D287-R290 IonicContact OD1-CZ 3.19Å; D287-R290 IonicContact OD1-NE 3.44Å; D287-R290 IonicContact OD1-NH2 3.68Å; D287-R290 PolarHBondContact OD1-NH2 2.99Å; D287-R291 WeakPolarHBondContact O-CB 3.48Å; D287-R291 PolarHBondContact O-N 2.64Å
288	S	92.7	Very high	91.4	Very high	37 Å²	37	56.8 Å²	56.8	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-43.9	177.5	63.2	0	0	0	0	111.1	N283 S285 R291 T292	N283-S288 PolarHBondContact O-OG 2.97Å; S285-S288 PolarHBondContact N-OG 3.41Å; S285-S288 PolarHBondContact O-N 3.02Å; S285-S288 PolarHBondContact O-OG 2.97Å; S285-S288 PolarHBondContact OG-N 3.31Å; S285-S288 VanDerWaalsContact OG-N 3.13Å; S285-S288 PolarHBondContact OG-OG 2.77Å; S288-R291 PolarHBondContact O-N 3Å; S288-T292 PolarHBondContact O-N 2.87Å; S288-T292 VanDerWaalsContact O-N 3.08Å; S288-T292 PolarHBondContact O-OG1 2.91Å
289	T	91.3	Very high	91.8	Very high	21 Å²	21	55.9 Å²	55.9	13%	0.129	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-49.8	174.5	-61.5	0	0	0	0	112	S285 R291 T292 A293 F348 V390	S285-T289 WeakPolarHBondContact O-CB 3.43Å; S285-T289 PolarHBondContact O-N 2.67Å; S285-T289 PolarHBondContact O-OG1 2.96Å; S285-T289 VanDerWaalsContact O-OG1 3.14Å; T289-R291 PolarHBondContact O-N 3.26Å; T289-T292 PolarHBondContact O-N 2.7Å; T289-A293 WeakPolarHBondContact O-CB 3.29Å; T289-A293 PolarHBondContact O-N 2.74Å; T289-F348 HydrophobicContact CG2-CB 4.31Å; T289-F348 HydrophobicContact CG2-CD1 3.69Å; T289-F348 HydrophobicContact CG2-CD2 3.45Å; T289-F348 VanDerWaalsContact CG2-CD2 3.45Å; T289-F348 HydrophobicContact CG2-CE1 3.76Å; T289-F348 HydrophobicContact CG2-CE2 3.54Å; T289-F348 HydrophobicContact CG2-CG 3.53Å; T289-F348 HydrophobicContact CG2-CZ 3.69Å; T289-V390 HydrophobicContact CG2-CG1 4.35Å
290	R	93.8	Very high	92.2	Very high	79 Å²	79	53.7 Å²	53.7	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-47.6	178.4	174.4	176	63.7	142.1	-1.8	111.6	F286 D287 A293 L294	F286-R290 HydrophobicContact CE1-CB 4.28Å; F286-R290 HydrophobicContact CZ-CB 4.33Å; F286-R290 HydrophobicContact CZ-CG 4.49Å; F286-R290 WeakPolarHBondContact O-CB 3.42Å; F286-R290 PolarHBondContact O-N 3.11Å; D287-R290 IonicContact OD1-CZ 3.19Å; D287-R290 IonicContact OD1-NE 3.44Å; D287-R290 IonicContact OD1-NH2 3.68Å; D287-R290 PolarHBondContact OD1-NH2 2.99Å; R290-A293 PolarHBondContact O-N 2.86Å; R290-L294 HydrophobicContact CG-CD1 3.69Å; R290-L294 HydrophobicContact CG-CG 4.26Å; R290-L294 WeakPolarHBondContact O-CB 3.31Å; R290-L294 WeakPolarHBondContact O-CG 3.33Å; R290-L294 PolarHBondContact O-N 3.43Å
291	R	94.8	Very high	92.7	Very high	102 Å²	102	51.5 Å²	51.5	39%	0.385	25%	0.25	S	S	.	.	H	α-helix	trans	-61.9	-48.7	-178.1	-170.3	-175.1	-55.6	145.6	4.7	110.9	D287 S288 T289 R295 E532	D287-R291 WeakPolarHBondContact O-CB 3.48Å; D287-R291 PolarHBondContact O-N 2.64Å; S288-R291 PolarHBondContact O-N 3Å; T289-R291 PolarHBondContact O-N 3.26Å; R291-R295 WeakPolarHBondContact O-CB 3.46Å; R291-R295 PolarHBondContact O-N 3.32Å; R291-E532 WeakPolarHBondContact CD-OE1 3.47Å; R291-E532 HydrophobicContact CG-CG 4.11Å
292	T	95.2	Very high	93.3	Very high	31 Å²	31	49 Å²	49	19%	0.19	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-47.5	178.8	-56.1	0	0	0	0	111.7	S288 T289 F296 E532 A535 L536	S288-T292 PolarHBondContact O-N 2.87Å; S288-T292 VanDerWaalsContact O-N 3.08Å; S288-T292 PolarHBondContact O-OG1 2.91Å; T289-T292 PolarHBondContact O-N 2.7Å; T292-F296 WeakPolarHBondContact O-CB 3.33Å; T292-F296 PolarHBondContact O-N 2.82Å; T292-E532 HydrophobicContact CG2-CB 4.48Å; T292-A535 HydrophobicContact CG2-CB 4.07Å; T292-L536 HydrophobicContact CG2-CD2 4.09Å; T292-L536 HydrophobicContact CG2-CG 4.11Å
293	A	94	Very high	93.8	Very high	19 Å²	19	39.2 Å²	39.2	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-47.3	-178.7	0	0	0	0	0	112.9	T289 R290 F296 Q297 T350	T289-A293 WeakPolarHBondContact O-CB 3.29Å; T289-A293 PolarHBondContact O-N 2.74Å; R290-A293 PolarHBondContact O-N 2.86Å; A293-F296 PolarHBondContact O-N 2.81Å; A293-Q297 WeakPolarHBondContact O-CG 3.17Å; A293-Q297 PolarHBondContact O-N 2.93Å; A293-Q297 VanDerWaalsContact O-N 3.11Å; A293-T350 HydrophobicContact CB-CG2 4.31Å
294	L	95.2	Very high	94.5	Very high	26 Å²	26	33.1 Å²	33.1	14%	0.136	17%	0.17	C	C	.	.	H	α-helix	trans	-68.1	-40	179	-67	-179.8	0	0	0	111.8	R290 F296 Q297 E298 T350	R290-L294 HydrophobicContact CG-CD1 3.69Å; R290-L294 HydrophobicContact CG-CG 4.26Å; R290-L294 WeakPolarHBondContact O-CB 3.31Å; R290-L294 WeakPolarHBondContact O-CG 3.33Å; R290-L294 PolarHBondContact O-N 3.43Å; L294-F296 VanDerWaalsContact C-N 3.3Å; L294-F296 PolarHBondContact O-N 3.33Å; L294-Q297 PolarHBondContact O-N 3.38Å; L294-E298 WeakPolarHBondContact O-CB 3.41Å; L294-E298 PolarHBondContact O-N 3.23Å; L294-T350 HydrophobicContact CD2-CG2 4.43Å
295	R	96.3	Very high	95.1	Very high	55 Å²	55	31.2 Å²	31.2	21%	0.208	16%	0.159	C	C	.	.	H	α-helix	trans	-67	-33.8	178	-167.1	61.3	173.6	173.5	11.8	112	R291 E298 L299 F526 E532	R291-R295 WeakPolarHBondContact O-CB 3.46Å; R291-R295 PolarHBondContact O-N 3.32Å; R295-E298 VanDerWaalsContact CD-OE2 3.27Å; R295-E298 WeakPolarHBondContact CD-OE2 3.39Å; R295-E298 IonicContact CZ-OE1 2.7Å; R295-E298 IonicContact CZ-OE2 2.87Å; R295-E298 IonicContact NE-OE2 2.83Å; R295-E298 IonicContact NH1-OE1 2.71Å; R295-E298 PolarHBondContact NH1-OE1 3.04Å; R295-E298 IonicContact NH1-OE2 2.71Å; R295-E298 PolarHBondContact NH1-OE2 2.87Å; R295-E298 PolarHBondContact O-N 3.47Å; R295-L299 HydrophobicContact CG-CD1 4.06Å; R295-L299 WeakPolarHBondContact O-CB 3.48Å; R295-L299 WeakPolarHBondContact O-CG 3.49Å; R295-L299 PolarHBondContact O-N 3.06Å; R295-L299 VanDerWaalsContact O-N 3.15Å; R295-F526 HydrophobicContact CG-CE1 4.04Å; R295-E532 HydrophobicContact CB-CB 4.17Å; R295-E532 HydrophobicContact CB-CG 3.89Å; R295-E532 HydrophobicContact CG-CB 4.19Å; R295-E532 HydrophobicContact CG-CG 4.04Å
296	F	96.8	Very high	95.4	Very high	21 Å²	21	28.6 Å²	28.6	9%	0.092	14%	0.14	C	C	.	.	H	α-helix	trans	-65.8	-45.2	173.3	-170.1	-155	0	0	0	111.7	T292 A293 L294 E298 L299 S300 W302 Y518 L522 F526 L536	T292-F296 WeakPolarHBondContact O-CB 3.33Å; T292-F296 PolarHBondContact O-N 2.82Å; A293-F296 PolarHBondContact O-N 2.81Å; L294-F296 VanDerWaalsContact C-N 3.3Å; L294-F296 PolarHBondContact O-N 3.33Å; F296-E298 VanDerWaalsContact C-N 3.34Å; F296-E298 PolarHBondContact O-N 2.86Å; F296-L299 PolarHBondContact O-N 3.36Å; F296-S300 WeakPolarHBondContact O-CA 3.11Å; F296-S300 PolarHBondContact O-N 3.48Å; F296-S300 VanDerWaalsContact O-O 3.05Å; F296-W302 HydrophobicContact CE1-CB 4.24Å; F296-W302 HydrophobicContact CE1-CG 4.39Å; F296-W302 HydrophobicContact CE2-CB 3.9Å; F296-W302 HydrophobicContact CE2-CG 4.44Å; F296-W302 HydrophobicContact CZ-CB 3.5Å; F296-W302 AromaticContact CZ-CD1 4Å; F296-W302 HydrophobicContact CZ-CD2 4.39Å; F296-W302 AromaticContact CZ-CG 3.67Å; F296-W302 HydrophobicContact CZ-CG 3.67Å; F296-Y518 HydrophobicContact CZ-CE2 4.17Å; F296-L522 HydrophobicContact CD2-CD2 4.34Å; F296-L522 HydrophobicContact CE2-CD2 3.81Å; F296-F526 HydrophobicContact CB-CZ 4.18Å; F296-F526 AromaticContact CD2-CE2 3.88Å; F296-F526 HydrophobicContact CD2-CE2 3.88Å; F296-F526 AromaticContact CD2-CZ 3.87Å; F296-F526 HydrophobicContact CD2-CZ 3.87Å; F296-F526 HydrophobicContact CE2-CE2 4.46Å; F296-F526 HydrophobicContact CG-CZ 4.41Å; F296-L536 HydrophobicContact CB-CD1 4.04Å; F296-L536 HydrophobicContact CD1-CD1 4.12Å; F296-L536 HydrophobicContact CD1-CD2 3.95Å; F296-L536 HydrophobicContact CD2-CD1 3.71Å; F296-L536 HydrophobicContact CE1-CD2 4.21Å; F296-L536 HydrophobicContact CE2-CD1 4.14Å; F296-L536 HydrophobicContact CG-CD1 3.7Å; F296-L536 HydrophobicContact CG-CD2 4.34Å
297	Q	96.6	Very high	95.7	Very high	10 Å²	10	28 Å²	28	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-69.1	-28	176.4	-71.7	171.7	-0.8	0	0	113.9	A293 L294 A303 H307 T350 Y594	A293-Q297 WeakPolarHBondContact O-CG 3.17Å; A293-Q297 PolarHBondContact O-N 2.93Å; A293-Q297 VanDerWaalsContact O-N 3.11Å; L294-Q297 PolarHBondContact O-N 3.38Å; Q297-A303 HydrophobicContact CG-CB 4.09Å; Q297-H307 PolarHBondContact NE2-CE1 3.27Å; Q297-T350 PolarHBondContact NE2-OG1 2.81Å; Q297-Y594 WeakPolarHBondContact O-CE1 3.28Å; Q297-Y594 PolarHBondContact O-OH 3.28Å
298	E	95.7	Very high	95.9	Very high	51 Å²	51	25.4 Å²	25.4	24%	0.238	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-39.3	173.5	178.3	-175.2	170.7	0	0	111.8	V8 L294 R295 F296 Y594	V8-E298 HydrophobicContact CG1-CB 4.03Å; V8-E298 HydrophobicContact CG1-CG 3.67Å; V8-E298 HydrophobicContact CG2-CB 4.47Å; L294-E298 WeakPolarHBondContact O-CB 3.41Å; L294-E298 PolarHBondContact O-N 3.23Å; R295-E298 VanDerWaalsContact CD-OE2 3.27Å; R295-E298 WeakPolarHBondContact CD-OE2 3.39Å; R295-E298 IonicContact CZ-OE1 2.7Å; R295-E298 IonicContact CZ-OE2 2.87Å; R295-E298 IonicContact NE-OE2 2.83Å; R295-E298 IonicContact NH1-OE1 2.71Å; R295-E298 PolarHBondContact NH1-OE1 3.04Å; R295-E298 IonicContact NH1-OE2 2.71Å; R295-E298 PolarHBondContact NH1-OE2 2.87Å; R295-E298 PolarHBondContact O-N 3.47Å; F296-E298 VanDerWaalsContact C-N 3.34Å; F296-E298 PolarHBondContact O-N 2.86Å; E298-Y594 WeakPolarHBondContact O-CE1 3.39Å
299	L	96.8	Very high	96.2	Very high	32 Å²	32	23.7 Å²	23.7	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-102	-20.3	-170.8	-61.5	-178.5	0	0	0	114.6	R295 F296 S525 F526	R295-L299 HydrophobicContact CG-CD1 4.06Å; R295-L299 WeakPolarHBondContact O-CB 3.48Å; R295-L299 WeakPolarHBondContact O-CG 3.49Å; R295-L299 PolarHBondContact O-N 3.06Å; R295-L299 VanDerWaalsContact O-N 3.15Å; F296-L299 PolarHBondContact O-N 3.36Å; L299-S525 WeakPolarHBondContact O-CB 3.45Å; L299-F526 HydrophobicContact CB-CE2 4.5Å; L299-F526 HydrophobicContact CD1-CB 4.47Å; L299-F526 HydrophobicContact CD1-CD1 3.66Å; L299-F526 HydrophobicContact CD1-CD2 4.49Å; L299-F526 HydrophobicContact CD1-CE1 4.01Å; L299-F526 HydrophobicContact CD1-CG 3.94Å
300	S	97.2	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.			trans	-138.5	141.2	-179.1	-179.5	0	0	0	0	112.2	F296 W302 W598	F296-S300 WeakPolarHBondContact O-CA 3.11Å; F296-S300 PolarHBondContact O-N 3.48Å; F296-S300 VanDerWaalsContact O-O 3.05Å; S300-W302 PolarHBondContact O-N 2.87Å; S300-W302 WeakPolarHBondContact OG-CB 3.4Å; S300-W302 PolarHBondContact OG-N 2.75Å; S300-W598 WeakPolarHBondContact OG-CZ2 3.08Å
301	P	97.4	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-74.4	-6.2	172.9	29.7	-31.9	0	0	0	113.9	A303 S304 F305 L591 Y594 W598 L615	P301-A303 VanDerWaalsContact C-N 3.26Å; P301-A303 PolarHBondContact O-N 2.87Å; P301-S304 WeakPolarHBondContact CA-OG 3.45Å; P301-S304 PolarHBondContact O-N 2.83Å; P301-S304 VanDerWaalsContact O-N 3.12Å; P301-S304 PolarHBondContact O-OG 2.9Å; P301-F305 WeakPolarHBondContact O-CB 3.42Å; P301-F305 PolarHBondContact O-N 3.26Å; P301-L591 HydrophobicContact CB-CD2 3.56Å; P301-L591 HydrophobicContact CG-CD2 3.87Å; P301-Y594 HydrophobicContact CB-CD2 3.74Å; P301-Y594 HydrophobicContact CB-CE2 3.61Å; P301-Y594 HydrophobicContact CB-CG 4.38Å; P301-Y594 HydrophobicContact CG-CD2 4Å; P301-Y594 HydrophobicContact CG-CE2 4.33Å; P301-Y594 HydrophobicContact CG-CG 4.24Å; P301-W598 HydrophobicContact CG-CB 4.09Å; P301-W598 HydrophobicContact CG-CD2 3.27Å; P301-W598 HydrophobicContact CG-CE3 3.69Å; P301-W598 HydrophobicContact CG-CG 3.43Å; P301-W598 VanDerWaalsContact CG-CG 3.43Å; P301-W598 HydrophobicContact CG-CZ2 4.27Å; P301-W598 HydrophobicContact CG-CZ3 4.31Å; P301-L615 HydrophobicContact CB-CD1 4.45Å; P301-L615 HydrophobicContact CB-CD2 4.32Å; P301-L615 HydrophobicContact CG-CD1 4.19Å; P301-L615 HydrophobicContact CG-CD2 4.21Å
302	W	97.4	Very high	96.9	Very high	7 Å²	7	15.1 Å²	15.1	3%	0.027	8%	0.082	C	C	.	.	H	α-helix	trans	-47.2	-44	-170.5	-163.8	-69.7	0	0	0	114	F296 S300 E480 F514 Y518 W598 V622 V623	F296-W302 HydrophobicContact CE1-CB 4.24Å; F296-W302 HydrophobicContact CE1-CG 4.39Å; F296-W302 HydrophobicContact CE2-CB 3.9Å; F296-W302 HydrophobicContact CE2-CG 4.44Å; F296-W302 HydrophobicContact CZ-CB 3.5Å; F296-W302 AromaticContact CZ-CD1 4Å; F296-W302 HydrophobicContact CZ-CD2 4.39Å; F296-W302 AromaticContact CZ-CG 3.67Å; F296-W302 HydrophobicContact CZ-CG 3.67Å; S300-W302 PolarHBondContact O-N 2.87Å; S300-W302 WeakPolarHBondContact OG-CB 3.4Å; S300-W302 PolarHBondContact OG-N 2.75Å; W302-E480 HydrophobicContact CZ2-CG 4.29Å; W302-E480 PolarHBondContact NE1-OE1 2.98Å; W302-F514 HydrophobicContact CH2-CE2 4.39Å; W302-F514 HydrophobicContact CH2-CZ 4.41Å; W302-F514 HydrophobicContact CZ2-CE2 4.04Å; W302-F514 AromaticContact CZ2-CZ 3.81Å; W302-F514 HydrophobicContact CZ2-CZ 3.81Å; W302-Y518 HydrophobicContact CD2-CD2 4.12Å; W302-Y518 HydrophobicContact CD2-CE2 4.19Å; W302-Y518 AromaticContact CE2-CD2 3.83Å; W302-Y518 HydrophobicContact CE3-CD2 4.04Å; W302-Y518 HydrophobicContact CE3-CE2 4.43Å; W302-Y518 AromaticContact CH2-CD2 3.57Å; W302-Y518 HydrophobicContact CH2-CD2 3.57Å; W302-Y518 HydrophobicContact CH2-CG 4.35Å; W302-Y518 AromaticContact CZ2-CD2 3.58Å; W302-Y518 HydrophobicContact CZ2-CD2 3.58Å; W302-Y518 HydrophobicContact CZ2-CE2 4.2Å; W302-Y518 AromaticContact CZ3-CD2 3.79Å; W302-Y518 HydrophobicContact CZ3-CD2 3.79Å; W302-W598 AromaticContact CE3-CH2 3.78Å; W302-W598 HydrophobicContact CE3-CH2 3.78Å; W302-W598 HydrophobicContact CE3-CZ3 4.35Å; W302-W598 HydrophobicContact CZ3-CH2 4.23Å; W302-V622 HydrophobicContact CE3-CG2 4.35Å; W302-V622 HydrophobicContact CH2-CB 3.47Å; W302-V622 VanDerWaalsContact CH2-CB 3.47Å; W302-V622 HydrophobicContact CH2-CG1 3.68Å; W302-V622 HydrophobicContact CH2-CG2 4.02Å; W302-V622 HydrophobicContact CZ2-CB 3.96Å; W302-V622 HydrophobicContact CZ3-CB 3.9Å; W302-V622 HydrophobicContact CZ3-CG1 4.03Å; W302-V622 HydrophobicContact CZ3-CG2 3.94Å; W302-V623 HydrophobicContact CD2-CG2 4.3Å; W302-V623 HydrophobicContact CG-CG2 4.24Å; W302-V623 HydrophobicContact CZ2-CG2 4.44Å
303	A	94.5	Very high	97	Very high	18 Å²	18	14 Å²	14	15%	0.149	8%	0.076	C	C	.	.	H	α-helix	trans	-92	-40.2	175.9	0	0	0	0	0	113.3	Q297 P301 F305 H307	Q297-A303 HydrophobicContact CG-CB 4.09Å; P301-A303 VanDerWaalsContact C-N 3.26Å; P301-A303 PolarHBondContact O-N 2.87Å; A303-F305 VanDerWaalsContact C-N 3.33Å; A303-F305 PolarHBondContact O-N 2.98Å; A303-H307 PolarHBondContact O-N 3.35Å
304	S	96.8	Very high	97.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-72.8	-23.9	-172.5	57	0	0	0	0	113.5	P301 H307 V308 Y594	P301-S304 WeakPolarHBondContact CA-OG 3.45Å; P301-S304 PolarHBondContact O-N 2.83Å; P301-S304 VanDerWaalsContact O-N 3.12Å; P301-S304 PolarHBondContact O-OG 2.9Å; S304-H307 PolarHBondContact O-N 2.71Å; S304-V308 WeakPolarHBondContact O-CG2 3.44Å; S304-V308 PolarHBondContact O-N 2.77Å; S304-Y594 PolarHBondContact OG-OH 3.28Å
305	F	98	Very high	97.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.8	-55.7	175.2	176.2	-98.8	0	0	0	111.9	P301 A303 H307 V308 A309 M587 L590 L591 L600 V613 L615 V623 T625	P301-F305 WeakPolarHBondContact O-CB 3.42Å; P301-F305 PolarHBondContact O-N 3.26Å; A303-F305 VanDerWaalsContact C-N 3.33Å; A303-F305 PolarHBondContact O-N 2.98Å; F305-H307 VanDerWaalsContact C-N 3.28Å; F305-H307 PolarHBondContact O-N 3Å; F305-V308 PolarHBondContact O-N 2.92Å; F305-A309 PolarHBondContact O-N 3.48Å; F305-M587 HydrophobicContact CD2-SD 4.42Å; F305-M587 HydrophobicContact CE2-CB 4.31Å; F305-M587 HydrophobicContact CE2-CG 4.31Å; F305-M587 HydrophobicContact CE2-SD 3.82Å; F305-M587 HydrophobicContact CZ-SD 3.94Å; F305-L590 VanDerWaalsContact CA-CD2 3.46Å; F305-L590 HydrophobicContact CB-CD2 4.23Å; F305-L591 HydrophobicContact CD2-CD2 4.25Å; F305-L600 HydrophobicContact CE2-CD1 4.11Å; F305-L600 HydrophobicContact CZ-CD1 4.47Å; F305-V613 HydrophobicContact CZ-CG2 3.95Å; F305-L615 HydrophobicContact CB-CD2 4Å; F305-L615 HydrophobicContact CD1-CB 3.63Å; F305-L615 HydrophobicContact CD1-CD2 4.49Å; F305-L615 HydrophobicContact CD2-CB 4.16Å; F305-L615 HydrophobicContact CD2-CD1 4.04Å; F305-L615 HydrophobicContact CE1-CB 3.67Å; F305-L615 HydrophobicContact CE2-CB 4.2Å; F305-L615 HydrophobicContact CE2-CD1 4.39Å; F305-L615 HydrophobicContact CG-CB 3.87Å; F305-L615 HydrophobicContact CG-CD1 4.27Å; F305-L615 HydrophobicContact CG-CD2 4.21Å; F305-L615 HydrophobicContact CG-CG 4.35Å; F305-L615 HydrophobicContact CZ-CB 3.96Å; F305-V623 HydrophobicContact CD1-CG1 4.49Å; F305-T625 HydrophobicContact CD1-CG2 4.19Å; F305-T625 HydrophobicContact CE1-CG2 3.49Å; F305-T625 VanDerWaalsContact CE1-CG2 3.49Å; F305-T625 HydrophobicContact CZ-CG2 4.1Å
306	G	97.5	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.3	-34.8	177.3	0	0	0	0	0	112.6	A310	G306-A310 WeakPolarHBondContact O-CB 3.44Å; G306-A310 PolarHBondContact O-N 3.03Å
307	H	98.2	Very high	97.2	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.028	7%	0.066	C	C	.	.	H	α-helix	trans	-63.7	-42.2	174.6	-66	170.5	0	0	0	112.7	Q297 A303 S304 F305 N311 T347 T350 Q351	Q297-H307 PolarHBondContact NE2-CE1 3.27Å; A303-H307 PolarHBondContact O-N 3.35Å; S304-H307 PolarHBondContact O-N 2.71Å; F305-H307 VanDerWaalsContact C-N 3.28Å; F305-H307 PolarHBondContact O-N 3Å; H307-N311 WeakPolarHBondContact O-CB 3.34Å; H307-N311 PolarHBondContact O-N 2.89Å; H307-T347 WeakPolarHBondContact CE1-CB 3.29Å; H307-T347 PolarHBondContact CE1-OG1 3.15Å; H307-T347 WeakPolarHBondContact NE2-CB 3.45Å; H307-T347 WeakPolarHBondContact NE2-CG2 3.37Å; H307-T347 PolarHBondContact NE2-OG1 2.72Å; H307-T350 PolarHBondContact CE1-OG1 3.23Å; H307-Q351 HydrophobicContact CB-CB 4.29Å; H307-Q351 HydrophobicContact CB-CG 3.98Å; H307-Q351 PolarHBondContact CD2-OE1 3.3Å
308	V	98.2	Very high	97.1	Very high	19 Å²	19	11.4 Å²	11.4	12%	0.115	6%	0.064	C	C	.	.	H	α-helix	trans	-66.8	-48.9	177.3	167.6	0	0	0	0	110.8	S304 F305 A310 N311 G312 D586 M587 L590	S304-V308 WeakPolarHBondContact O-CG2 3.44Å; S304-V308 PolarHBondContact O-N 2.77Å; F305-V308 PolarHBondContact O-N 2.92Å; V308-A310 PolarHBondContact O-N 2.92Å; V308-N311 PolarHBondContact O-N 3.29Å; V308-G312 PolarHBondContact O-N 3.41Å; V308-D586 HydrophobicContact CG1-CB 3.84Å; V308-M587 HydrophobicContact CG1-CG 4.01Å; V308-L590 HydrophobicContact CB-CD2 4.24Å; V308-L590 HydrophobicContact CG2-CD2 3.95Å
309	A	98.3	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.3	-49.2	177.8	0	0	0	0	0	112.3	F305 G312 A313 F579 M587 T625	F305-A309 PolarHBondContact O-N 3.48Å; A309-G312 PolarHBondContact O-N 2.85Å; A309-A313 PolarHBondContact O-N 3.27Å; A309-F579 HydrophobicContact CB-CE1 4.03Å; A309-F579 HydrophobicContact CB-CZ 3.92Å; A309-F579 WeakPolarHBondContact O-CE1 3.25Å; A309-M587 HydrophobicContact CB-CG 4.36Å; A309-M587 HydrophobicContact CB-SD 3.58Å; A309-M587 VanDerWaalsContact CB-SD 3.58Å; A309-T625 HydrophobicContact CB-CG2 3.55Å
310	A	98.5	Very high	96.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.3	-43.2	-179.3	0	0	0	0	0	112.4	G306 V308 G312 A313 I314 N444 T476	G306-A310 WeakPolarHBondContact O-CB 3.44Å; G306-A310 PolarHBondContact O-N 3.03Å; V308-A310 PolarHBondContact O-N 2.92Å; A310-G312 VanDerWaalsContact C-N 3.3Å; A310-G312 PolarHBondContact O-N 3.14Å; A310-A313 PolarHBondContact O-N 3.1Å; A310-I314 WeakPolarHBondContact O-CB 3.49Å; A310-I314 WeakPolarHBondContact O-CD1 3.38Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 3.2Å; A310-N444 WeakPolarHBondContact CB-OD1 3.4Å; A310-T476 HydrophobicContact CB-CG2 3.95Å
311	N	98.4	Very high	96.2	Very high	13 Å²	13	14.7 Å²	14.7	7%	0.07	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-38.5	177.2	-76.4	-3.1	0	0	0	111.6	H307 V308 L315 Q351 T354 L355	H307-N311 WeakPolarHBondContact O-CB 3.34Å; H307-N311 PolarHBondContact O-N 2.89Å; V308-N311 PolarHBondContact O-N 3.29Å; N311-L315 WeakPolarHBondContact O-CB 3.41Å; N311-L315 PolarHBondContact O-N 2.79Å; N311-Q351 PolarHBondContact ND2-O 2.89Å; N311-Q351 WeakPolarHBondContact OD1-CG 3.49Å; N311-Q351 PolarHBondContact OD1-NE2 2.56Å; N311-T354 PolarHBondContact ND2-OG1 3.36Å; N311-T354 VanDerWaalsContact ND2-OG1 3.08Å; N311-L355 HydrophobicContact CB-CD1 4.36Å
312	G	97.7	Very high	95.7	Very high	9 Å²	9	15.9 Å²	15.9	9%	0.093	10%	0.095	C	C	.	.	H	α-helix	trans	-57	-58.5	173.8	0	0	0	0	0	112.5	V308 A309 A310 I314 L315 E316	V308-G312 PolarHBondContact O-N 3.41Å; A309-G312 PolarHBondContact O-N 2.85Å; A310-G312 VanDerWaalsContact C-N 3.3Å; A310-G312 PolarHBondContact O-N 3.14Å; G312-I314 VanDerWaalsContact C-N 3.33Å; G312-I314 PolarHBondContact O-N 3.32Å; G312-L315 PolarHBondContact O-N 3.22Å; G312-E316 WeakPolarHBondContact O-CG 3.31Å; G312-E316 PolarHBondContact O-N 3.05Å
313	A	98.2	Very high	95.1	Very high	8 Å²	8	18.4 Å²	18.4	7%	0.066	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-34.8	-179.3	0	0	0	0	0	113.8	A309 A310 S317 T476 F579 A627	A309-A313 PolarHBondContact O-N 3.27Å; A310-A313 PolarHBondContact O-N 3.1Å; A313-S317 WeakPolarHBondContact O-CB 3.44Å; A313-S317 PolarHBondContact O-N 3.47Å; A313-T476 HydrophobicContact CB-CG2 4.08Å; A313-F579 HydrophobicContact CB-CD1 4.19Å; A313-F579 HydrophobicContact CB-CE1 3.99Å; A313-A627 HydrophobicContact CB-CB 3.79Å
314	I	98.3	Very high	94.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-45.4	174.4	-69.8	167.7	0	0	0	110.7	A310 G312 S317 F318 I341 W352 L355 A442 N444 V474 T476	A310-I314 WeakPolarHBondContact O-CB 3.49Å; A310-I314 WeakPolarHBondContact O-CD1 3.38Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 3.2Å; G312-I314 VanDerWaalsContact C-N 3.33Å; G312-I314 PolarHBondContact O-N 3.32Å; I314-S317 PolarHBondContact O-N 2.89Å; I314-F318 HydrophobicContact CG2-CD2 3.64Å; I314-F318 HydrophobicContact CG2-CE2 3.5Å; I314-F318 VanDerWaalsContact CG2-CE2 3.5Å; I314-F318 HydrophobicContact CG2-CG 4.26Å; I314-F318 HydrophobicContact CG2-CZ 3.99Å; I314-F318 WeakPolarHBondContact O-CB 3.46Å; I314-F318 VanDerWaalsContact O-CG 3.31Å; I314-F318 WeakPolarHBondContact O-CG 3.25Å; I314-F318 PolarHBondContact O-N 2.87Å; I314-I341 HydrophobicContact CG2-CD1 4.2Å; I314-I341 HydrophobicContact CG2-CG1 4.48Å; I314-W352 HydrophobicContact CD1-CH2 4.26Å; I314-W352 HydrophobicContact CD1-CZ3 4.3Å; I314-L355 HydrophobicContact CG2-CD2 3.96Å; I314-A442 HydrophobicContact CD1-CB 4.49Å; I314-A442 HydrophobicContact CG1-CB 4.08Å; I314-A442 HydrophobicContact CG2-CB 4.13Å; I314-N444 HydrophobicContact CD1-CB 4.16Å; I314-V474 HydrophobicContact CG1-CG1 4.27Å; I314-T476 HydrophobicContact CD1-CG2 4.26Å; I314-T476 HydrophobicContact CG1-CG2 3.92Å
315	L	96.5	Very high	93.9	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-47.4	-177.9	179.3	64	0	0	0	111.9	N311 G312 F318 L319 L355 A358 L359	N311-L315 WeakPolarHBondContact O-CB 3.41Å; N311-L315 PolarHBondContact O-N 2.79Å; G312-L315 PolarHBondContact O-N 3.22Å; L315-F318 PolarHBondContact O-N 3.18Å; L315-L319 HydrophobicContact CD1-CD1 4.03Å; L315-L319 HydrophobicContact CD1-CG 4.24Å; L315-L319 HydrophobicContact CG-CD1 4.02Å; L315-L319 WeakPolarHBondContact O-CB 3.27Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.12Å; L315-L319 PolarHBondContact O-N 3.19Å; L315-L355 HydrophobicContact CB-CD1 3.96Å; L315-L355 HydrophobicContact CD1-CD1 4.26Å; L315-A358 HydrophobicContact CD1-CB 4.21Å; L315-A358 HydrophobicContact CD2-CB 3.64Å; L315-L359 HydrophobicContact CD1-CD2 3.81Å; L315-L359 HydrophobicContact CD1-CG 4.12Å
316	E	95.7	Very high	93	Very high	48 Å²	48	24.9 Å²	24.9	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-50.7	174.3	-69.5	174.7	159.7	0	0	110.9	G312 F318 L319 D320 S580	G312-E316 WeakPolarHBondContact O-CG 3.31Å; G312-E316 PolarHBondContact O-N 3.05Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 2.98Å; E316-L319 PolarHBondContact O-N 3.3Å; E316-D320 PolarHBondContact O-N 3.18Å; E316-S580 WeakPolarHBondContact OE1-CB 3.16Å; E316-S580 PolarHBondContact OE1-OG 3.39Å
317	S	95.7	Very high	92.2	Very high	15 Å²	15	29.2 Å²	29.2	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-57.2	-43.1	177.9	-176.3	0	0	0	0	112.6	A313 I314 A321 R473	A313-S317 WeakPolarHBondContact O-CB 3.44Å; A313-S317 PolarHBondContact O-N 3.47Å; I314-S317 PolarHBondContact O-N 2.89Å; S317-A321 PolarHBondContact O-N 3.19Å; S317-A321 VanDerWaalsContact O-N 3.1Å; S317-R473 WeakPolarHBondContact O-CD 3.2Å; S317-R473 PolarHBondContact O-NE 3.47Å; S317-R473 PolarHBondContact O-NH2 3.08Å; S317-R473 VanDerWaalsContact OG-CD 3.31Å; S317-R473 WeakPolarHBondContact OG-CD 3.44Å; S317-R473 WeakPolarHBondContact OG-CG 3.44Å; S317-R473 PolarHBondContact OG-NE 2.83Å
318	F	94.8	Very high	91.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-72.7	-37.5	179	-74.7	-9.3	0	0	0	113.5	I314 L315 E316 A321 A322 L339 I341 L370 A440 A442	I314-F318 HydrophobicContact CG2-CD2 3.64Å; I314-F318 HydrophobicContact CG2-CE2 3.5Å; I314-F318 VanDerWaalsContact CG2-CE2 3.5Å; I314-F318 HydrophobicContact CG2-CG 4.26Å; I314-F318 HydrophobicContact CG2-CZ 3.99Å; I314-F318 WeakPolarHBondContact O-CB 3.46Å; I314-F318 VanDerWaalsContact O-CG 3.31Å; I314-F318 WeakPolarHBondContact O-CG 3.25Å; I314-F318 PolarHBondContact O-N 2.87Å; L315-F318 PolarHBondContact O-N 3.18Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 2.98Å; F318-A321 WeakPolarHBondContact O-CB 3.08Å; F318-A321 PolarHBondContact O-N 3.06Å; F318-A322 PolarHBondContact O-N 3.33Å; F318-L339 HydrophobicContact CB-CD1 3.95Å; F318-L339 HydrophobicContact CB-CD2 3.91Å; F318-L339 HydrophobicContact CD1-CD2 3.97Å; F318-L339 HydrophobicContact CD2-CB 4.06Å; F318-L339 HydrophobicContact CD2-CD1 3.73Å; F318-L339 HydrophobicContact CD2-CD2 4.2Å; F318-L339 HydrophobicContact CD2-CG 4.21Å; F318-L339 HydrophobicContact CE1-CD2 4.47Å; F318-L339 HydrophobicContact CE2-CB 3.9Å; F318-L339 HydrophobicContact CE2-CD1 4.38Å; F318-L339 HydrophobicContact CG-CB 4.47Å; F318-L339 HydrophobicContact CG-CD1 4Å; F318-L339 HydrophobicContact CG-CD2 3.79Å; F318-L339 HydrophobicContact CG-CG 4.3Å; F318-L339 HydrophobicContact CZ-CB 4.19Å; F318-I341 HydrophobicContact CE2-CD1 4.05Å; F318-I341 HydrophobicContact CE2-CG1 3.71Å; F318-I341 HydrophobicContact CZ-CG1 3.84Å; F318-L370 HydrophobicContact CE2-CD1 4.07Å; F318-A440 HydrophobicContact CD1-CB 4.23Å; F318-A440 HydrophobicContact CE1-CB 4.26Å; F318-A440 WeakPolarHBondContact CE1-O 3.5Å; F318-A442 HydrophobicContact CE1-CB 3.65Å; F318-A442 HydrophobicContact CE2-CB 4.41Å; F318-A442 HydrophobicContact CZ-CB 3.47Å; F318-A442 VanDerWaalsContact CZ-CB 3.47Å
319	L	91.4	Very high	89.6	Confident	39 Å²	39	34.1 Å²	34.1	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-41.2	174.4	-70.3	172.3	0	0	0	111.2	L315 E316 A321 A322 A323 R362	L315-L319 HydrophobicContact CD1-CD1 4.03Å; L315-L319 HydrophobicContact CD1-CG 4.24Å; L315-L319 HydrophobicContact CG-CD1 4.02Å; L315-L319 WeakPolarHBondContact O-CB 3.27Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.12Å; L315-L319 PolarHBondContact O-N 3.19Å; E316-L319 PolarHBondContact O-N 3.3Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 2.77Å; L319-A322 PolarHBondContact O-N 2.74Å; L319-A323 WeakPolarHBondContact O-CB 3.48Å; L319-A323 PolarHBondContact O-N 2.97Å; L319-R362 HydrophobicContact CD1-CB 4.06Å; L319-R362 HydrophobicContact CD2-CB 4.36Å
320	D	90.9	Very high	87.8	Confident	100 Å²	100	40.4 Å²	40.4	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-35.3	172.7	-76.4	-10.3	0	0	0	112.4	E316 A324	E316-D320 PolarHBondContact O-N 3.18Å; D320-A324 VanDerWaalsContact O-CB 3.27Å; D320-A324 WeakPolarHBondContact O-CB 2.99Å; D320-A324 PolarHBondContact O-N 2.91Å
321	A	88.9	Confident	85.7	Confident	12 Å²	12	43.5 Å²	43.5	10%	0.099	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-42.4	175.1	0	0	0	0	0	111.5	S317 F318 L319 A325 A440	S317-A321 PolarHBondContact O-N 3.19Å; S317-A321 VanDerWaalsContact O-N 3.1Å; F318-A321 WeakPolarHBondContact O-CB 3.08Å; F318-A321 PolarHBondContact O-N 3.06Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 2.77Å; A321-A325 WeakPolarHBondContact O-CB 3.45Å; A321-A325 PolarHBondContact O-N 3.18Å; A321-A440 HydrophobicContact CB-CB 3.89Å
322	A	85.4	Confident	83.5	Confident	26 Å²	26	49.3 Å²	49.3	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-63.2	-46.8	175.9	0	0	0	0	0	111.9	F318 L319 A325 A326 P337	F318-A322 PolarHBondContact O-N 3.33Å; L319-A322 PolarHBondContact O-N 2.74Å; A322-A325 PolarHBondContact O-N 3.49Å; A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 3.24Å; A322-P337 HydrophobicContact CB-CG 4.32Å
323	A	85	Confident	81.3	Confident	60 Å²	60	53.1 Å²	53.1	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-43.4	177	0	0	0	0	0	112.4	L319 A326 A327	L319-A323 WeakPolarHBondContact O-CB 3.48Å; L319-A323 PolarHBondContact O-N 2.97Å; A323-A326 PolarHBondContact O-N 2.9Å; A323-A327 WeakPolarHBondContact O-CB 3.36Å; A323-A327 PolarHBondContact O-N 3.01Å
324	A	84.7	Confident	79.5	Confident	58 Å²	58	58.8 Å²	58.8	48%	0.479	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-40.1	176.9	0	0	0	0	0	112.5	D320 S328	D320-A324 VanDerWaalsContact O-CB 3.27Å; D320-A324 WeakPolarHBondContact O-CB 2.99Å; D320-A324 PolarHBondContact O-N 2.91Å; A324-S328 PolarHBondContact O-N 3.47Å; A324-S328 VanDerWaalsContact O-N 3.15Å
325	A	80.9	Confident	77.8	Confident	29 Å²	29	66.1 Å²	66.1	24%	0.24	43%	0.434	C	S	.	.	H	α-helix	trans	-62.8	-49.8	174.7	0	0	0	0	0	111.2	A321 A322 A327 S328 S329 P337	A321-A325 WeakPolarHBondContact O-CB 3.45Å; A321-A325 PolarHBondContact O-N 3.18Å; A322-A325 PolarHBondContact O-N 3.49Å; A325-A327 VanDerWaalsContact C-N 3.31Å; A325-A327 PolarHBondContact O-N 3.36Å; A325-S328 PolarHBondContact O-N 3.3Å; A325-S328 PolarHBondContact O-OG 3.19Å; A325-S329 PolarHBondContact O-N 3.3Å; A325-S329 PolarHBondContact O-OG 3.02Å; A325-P337 HydrophobicContact CB-CB 4.21Å; A325-P337 HydrophobicContact CB-CG 3.78Å
326	A	79	Confident	76.5	Confident	66 Å²	66	67.7 Å²	67.7	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-61.1	-35.9	178.7	0	0	0	0	0	113.3	A322 A323 S328 S329	A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 3.24Å; A323-A326 PolarHBondContact O-N 2.9Å; A326-S328 VanDerWaalsContact C-N 3.32Å; A326-S329 WeakPolarHBondContact CA-OG 3.44Å; A326-S329 PolarHBondContact O-OG 3.32Å
327	A	80.7	Confident	75.6	Confident	91 Å²	91	66.5 Å²	66.5	75%	0.752	44%	0.442	S	S	*	.	H	α-helix	trans	-69.9	-28.3	174.4	0	0	0	0	0	113.1	A323 A325	A323-A327 WeakPolarHBondContact O-CB 3.36Å; A323-A327 PolarHBondContact O-N 3.01Å; A325-A327 VanDerWaalsContact C-N 3.31Å; A325-A327 PolarHBondContact O-N 3.36Å
328	S	77.2	Confident	75.3	Confident	82 Å²	82	70.5 Å²	70.5	57%	0.573	45%	0.454	S	S	*	.	H	α-helix	trans	-82.1	-23.4	176.9	75.2	0	0	0	0	113.7	A324 A325 A326 S330	A324-S328 PolarHBondContact O-N 3.47Å; A324-S328 VanDerWaalsContact O-N 3.15Å; A325-S328 PolarHBondContact O-N 3.3Å; A325-S328 PolarHBondContact O-OG 3.19Å; A326-S328 VanDerWaalsContact C-N 3.32Å; S328-S330 PolarHBondContact O-N 3.22Å
329	S	65.6	Low	75.3	Confident	46 Å²	46	70.4 Å²	70.4	32%	0.322	45%	0.454	S	S	.	.			trans	-83.1	75.1	-175.4	60.1	0	0	0	0	112.6	A325 A326 S331 Q334	A325-S329 PolarHBondContact O-N 3.3Å; A325-S329 PolarHBondContact O-OG 3.02Å; A326-S329 WeakPolarHBondContact CA-OG 3.44Å; A326-S329 PolarHBondContact O-OG 3.32Å; S329-S331 PolarHBondContact O-N 2.7Å; S329-Q334 VanDerWaalsContact CA-OE1 3.31Å
330	S	59.8	Low	75.5	Confident	133 Å²	133	69.3 Å²	69.3	93%	0.93	45%	0.448	S	S	*	.			trans	-76.7	13.6	169.3	61.1	0	0	0	0	113.9	S328	S328-S330 PolarHBondContact O-N 3.22Å
331	S	54.4	Low	75.9	Confident	64 Å²	64	64.6 Å²	64.6	45%	0.448	42%	0.422	S	S	.	.	S	Bend	trans	-130.3	129.5	-175.3	176	0	0	0	0	109.9	S329 S333	S329-S331 PolarHBondContact O-N 2.7Å; S331-S333 PolarHBondContact O-N 3.36Å; S331-S333 PolarHBondContact OG-OG 2.89Å; S331-S333 VanDerWaalsContact OG-OG 3.11Å
332	S	53.3	Low	76.3	Confident	135 Å²	135	64 Å²	64	94%	0.944	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	35.3	-169.8	63.8	0	0	0	0	115.4
333	S	51.8	Low	76.9	Confident	90 Å²	90	62.8 Å²	62.8	63%	0.629	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.5	8.4	-166	56	0	0	0	0	115.6	S331	S331-S333 PolarHBondContact O-N 3.36Å; S331-S333 PolarHBondContact OG-OG 2.89Å; S331-S333 VanDerWaalsContact OG-OG 3.11Å
334	Q	60.4	Low	77.5	Confident	126 Å²	126	60 Å²	60	59%	0.589	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-91.2	126.2	175	-79.9	175.6	-40	0	0	111.2	S329	S329-Q334 VanDerWaalsContact CA-OE1 3.31Å
335	H	62.7	Low	78	Confident	154 Å²	154	57.7 Å²	57.7	71%	0.713	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-60.5	149.9	170.9	-66.7	-68	0	0	0	111
336	P	67.4	Low	78.4	Confident	46 Å²	46	59.4 Å²	59.4	30%	0.299	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-56.3	147.2	172.4	26.8	-37.3	0	0	0	110.5	R338 D366	P336-R338 PolarHBondContact O-N 2.88Å; P336-D366 WeakPolarHBondContact CG-OD2 3.39Å
337	P	77.7	Confident	78.9	Confident	23 Å²	23	57 Å²	57	15%	0.149	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-61.9	141	179.1	25.3	-31.9	0	0	0	110.4	A322 A325 P368	A322-P337 HydrophobicContact CB-CG 4.32Å; A325-P337 HydrophobicContact CB-CB 4.21Å; A325-P337 HydrophobicContact CB-CG 3.78Å; P337-P368 WeakPolarHBondContact O-CB 3.24Å
338	R	89.5	Confident	79.4	Confident	98 Å²	98	56.7 Å²	56.7	37%	0.37	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.9	174.8	-70.5	-179	170.2	-169	-5.9	109.3	P336 T439 A440	P336-R338 PolarHBondContact O-N 2.88Å; R338-T439 HydrophobicContact CB-CG2 4.17Å; R338-T439 CarbonylContact O-C 3.54Å; R338-T439 VanDerWaalsContact O-CA 3.28Å; R338-T439 WeakPolarHBondContact O-CA 3.28Å; R338-A440 PolarHBondContact O-N 2.76Å
339	L	94.3	Very high	80.3	Confident	1 Å²	1	53 Å²	53	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.2	174	-53.3	179.7	0	0	0	108.2	F318 L359 P368 H369 L370 S371 A440	F318-L339 HydrophobicContact CB-CD1 3.95Å; F318-L339 HydrophobicContact CB-CD2 3.91Å; F318-L339 HydrophobicContact CD1-CD2 3.97Å; F318-L339 HydrophobicContact CD2-CB 4.06Å; F318-L339 HydrophobicContact CD2-CD1 3.73Å; F318-L339 HydrophobicContact CD2-CD2 4.2Å; F318-L339 HydrophobicContact CD2-CG 4.21Å; F318-L339 HydrophobicContact CE1-CD2 4.47Å; F318-L339 HydrophobicContact CE2-CB 3.9Å; F318-L339 HydrophobicContact CE2-CD1 4.38Å; F318-L339 HydrophobicContact CG-CB 4.47Å; F318-L339 HydrophobicContact CG-CD1 4Å; F318-L339 HydrophobicContact CG-CD2 3.79Å; F318-L339 HydrophobicContact CG-CG 4.3Å; F318-L339 HydrophobicContact CZ-CB 4.19Å; L339-L359 HydrophobicContact CD1-CD2 4.05Å; L339-P368 HydrophobicContact CD1-CB 4.07Å; L339-P368 HydrophobicContact CD1-CG 3.59Å; L339-P368 HydrophobicContact CG-CB 4.15Å; L339-P368 HydrophobicContact CG-CG 4.22Å; L339-H369 PolarHBondContact N-O 2.99Å; L339-L370 HydrophobicContact CB-CD1 3.77Å; L339-S371 PolarHBondContact O-N 3.14Å; L339-A440 HydrophobicContact CD2-CB 3.96Å
340	H	96.7	Very high	81.8	Confident	16 Å²	16	52.1 Å²	52.1	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.1	175.4	-158.2	121.6	0	0	0	110.4	S371 T373 L430 T439 A440 L441 A442	H340-S371 CarbonylContact C-O 3.49Å; H340-S371 WeakPolarHBondContact CA-O 3.45Å; H340-S371 VanDerWaalsContact ND1-CB 3.3Å; H340-S371 WeakPolarHBondContact ND1-CB 3.31Å; H340-T373 PolarHBondContact CE1-OG1 2.95Å; H340-T373 VanDerWaalsContact CE1-OG1 3.25Å; H340-T373 WeakPolarHBondContact NE2-CB 3.26Å; H340-T373 PolarHBondContact NE2-N 3.11Å; H340-T373 PolarHBondContact NE2-OG1 2.93Å; H340-L430 VanDerWaalsContact CE1-C 3.49Å; H340-L430 WeakPolarHBondContact CE1-CA 3.31Å; H340-L430 PolarHBondContact CE1-O 3.14Å; H340-L430 VanDerWaalsContact CE1-O 3.29Å; H340-L430 PolarHBondContact ND1-O 2.54Å; H340-L430 VanDerWaalsContact ND1-O 3.08Å; H340-L430 WeakPolarHBondContact NE2-CD2 3.43Å; H340-T439 HydrophobicContact CB-CG2 3.63Å; H340-A440 PolarHBondContact N-O 2.98Å; H340-L441 HydrophobicContact CB-CD1 4.23Å; H340-L441 CarbonylContact O-C 3.3Å; H340-L441 WeakPolarHBondContact O-CA 3.4Å; H340-A442 PolarHBondContact O-N 3.23Å
341	I	98.2	Very high	83.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.1	170.9	-57.4	170.6	0	0	0	108.9	I314 F318 D343 W352 L355 L370 S371 I372 T373 A442 N444	I314-I341 HydrophobicContact CG2-CD1 4.2Å; I314-I341 HydrophobicContact CG2-CG1 4.48Å; F318-I341 HydrophobicContact CE2-CD1 4.05Å; F318-I341 HydrophobicContact CE2-CG1 3.71Å; F318-I341 HydrophobicContact CZ-CG1 3.84Å; I341-D343 HydrophobicContact CG2-CB 4.39Å; I341-W352 HydrophobicContact CD1-CE3 4.02Å; I341-W352 HydrophobicContact CD1-CH2 4.24Å; I341-W352 HydrophobicContact CD1-CZ3 3.71Å; I341-W352 HydrophobicContact CG2-CH2 3.63Å; I341-W352 HydrophobicContact CG2-CZ2 3.87Å; I341-W352 HydrophobicContact CG2-CZ3 4.2Å; I341-L355 HydrophobicContact CD1-CD2 3.4Å; I341-L355 VanDerWaalsContact CD1-CD2 3.4Å; I341-L370 HydrophobicContact CD1-CD1 3.93Å; I341-L370 HydrophobicContact CD1-CD2 4.44Å; I341-L370 HydrophobicContact CG1-CD1 4Å; I341-S371 PolarHBondContact N-O 3.06Å; I341-I372 HydrophobicContact CB-CG1 4.27Å; I341-I372 HydrophobicContact CD1-CD1 4.41Å; I341-I372 HydrophobicContact CD1-CG1 4.37Å; I341-I372 WeakPolarHBondContact O-CA 3.49Å; I341-T373 PolarHBondContact O-N 3.08Å; I341-A442 WeakPolarHBondContact CA-O 3.48Å; I341-A442 HydrophobicContact CG1-CB 4.39Å; I341-N444 HydrophobicContact CG2-CB 4.14Å
342	L	98.3	Very high	85.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106.3	162.1	175.1	59.3	0	0	0	107.9	L344 T373 V375 L425 L428 L430 L441 A442 I443 N444 L470	L342-L344 HydrophobicContact CD1-CD2 4.04Å; L342-L344 HydrophobicContact CG-CD2 4.14Å; L342-L344 HydrophobicContact CG-CG 4.34Å; L342-T373 WeakPolarHBondContact CA-O 3.33Å; L342-T373 HydrophobicContact CD1-CG2 4.46Å; L342-V375 HydrophobicContact CD1-CG2 4.02Å; L342-L425 HydrophobicContact CD2-CD2 4.02Å; L342-L428 HydrophobicContact CD1-CD1 3.73Å; L342-L428 HydrophobicContact CD2-CD1 4.26Å; L342-L430 HydrophobicContact CD1-CD2 4.4Å; L342-L430 HydrophobicContact CD2-CD1 4.37Å; L342-L441 HydrophobicContact CB-CD1 4.26Å; L342-A442 PolarHBondContact N-O 3.38Å; L342-I443 HydrophobicContact CB-CG1 4.24Å; L342-I443 HydrophobicContact CD2-CD1 4.49Å; L342-I443 HydrophobicContact CD2-CG1 4.3Å; L342-I443 HydrophobicContact CD2-CG2 4.33Å; L342-I443 HydrophobicContact CG-CG2 4.46Å; L342-I443 WeakPolarHBondContact O-CA 3.47Å; L342-N444 PolarHBondContact O-N 3.42Å; L342-L470 HydrophobicContact CD2-CD1 3.92Å
343	D	98.3	Very high	87.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.4	-176.6	171.6	34.8	0	0	0	110.3	I341 S345 W352 I372 T373 T374 V375 N444	I341-D343 HydrophobicContact CG2-CB 4.39Å; D343-S345 WeakPolarHBondContact OD1-CB 3.4Å; D343-S345 PolarHBondContact OD1-OG 3.08Å; D343-S345 PolarHBondContact OD2-OG 3.47Å; D343-W352 HydrophobicContact CB-CZ2 3.7Å; D343-W352 VanDerWaalsContact CG-NE1 3.33Å; D343-W352 PolarHBondContact OD2-NE1 3.44Å; D343-I372 HydrophobicContact CB-CG2 4.18Å; D343-T373 PolarHBondContact N-O 3.42Å; D343-T374 CarbonylContact O-C 3.51Å; D343-T374 VanDerWaalsContact O-CA 3.29Å; D343-T374 WeakPolarHBondContact O-CA 3.38Å; D343-T374 WeakPolarHBondContact OD2-CB 3.42Å; D343-T374 PolarHBondContact OD2-OG1 3.16Å; D343-V375 PolarHBondContact O-N 2.96Å; D343-N444 PolarHBondContact OD1-ND2 3.29Å
344	L	97	Very high	89.8	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	86.5	171.6	-52.6	-175.7	0	0	0	107.4	L342 V375 L423 N444 C445 V446 A448 F463 L467	L342-L344 HydrophobicContact CD1-CD2 4.04Å; L342-L344 HydrophobicContact CG-CD2 4.14Å; L342-L344 HydrophobicContact CG-CG 4.34Å; L344-V375 HydrophobicContact CD2-CB 3.6Å; L344-V375 HydrophobicContact CD2-CG1 4.42Å; L344-V375 HydrophobicContact CD2-CG2 3.49Å; L344-V375 VanDerWaalsContact CD2-CG2 3.49Å; L344-L423 HydrophobicContact CD2-CD2 4.24Å; L344-N444 PolarHBondContact N-O 3.37Å; L344-C445 CarbonylContact O-C 3.54Å; L344-C445 WeakPolarHBondContact O-CA 3.36Å; L344-V446 PolarHBondContact O-N 2.92Å; L344-A448 HydrophobicContact CB-CB 3.95Å; L344-A448 WeakPolarHBondContact O-CB 3.2Å; L344-F463 HydrophobicContact CD1-CE1 4.14Å; L344-F463 HydrophobicContact CD1-CZ 3.83Å; L344-L467 HydrophobicContact CD1-CD2 4.19Å
345	S	94.5	Very high	91.5	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.07	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	162.4	-176.8	69.8	0	0	0	0	114.2	D343 V446	D343-S345 WeakPolarHBondContact OD1-CB 3.4Å; D343-S345 PolarHBondContact OD1-OG 3.08Å; D343-S345 PolarHBondContact OD2-OG 3.47Å; S345-V446 WeakPolarHBondContact CA-O 3.45Å
346	N	88.9	Confident	93.2	Very high	65 Å²	65	20.9 Å²	20.9	35%	0.348	11%	0.108	S	C	.	.	S	Bend	trans	-110.6	14.1	171.6	61.1	20.1	0	0	0	113	N447	N346-N447 WeakPolarHBondContact ND2-CB 3.32Å; N346-N447 PolarHBondContact ND2-O 2.93Å
347	T	90.8	Very high	94.5	Very high	16 Å²	16	20.1 Å²	20.1	10%	0.098	10%	0.101	C	C	.	.	S	Bend	trans	-97	19.2	-172.6	60.5	0	0	0	0	114.2	H307 C349 T350 V446	H307-T347 WeakPolarHBondContact CE1-CB 3.29Å; H307-T347 PolarHBondContact CE1-OG1 3.15Å; H307-T347 WeakPolarHBondContact NE2-CB 3.45Å; H307-T347 WeakPolarHBondContact NE2-CG2 3.37Å; H307-T347 PolarHBondContact NE2-OG1 2.72Å; T347-C349 VanDerWaalsContact C-N 3.26Å; T347-C349 PolarHBondContact O-N 3.15Å; T347-C349 VanDerWaalsContact O-N 3.13Å; T347-T350 WeakPolarHBondContact O-CG2 3.48Å; T347-T350 PolarHBondContact O-N 3.38Å; T347-T350 VanDerWaalsContact O-N 3.14Å; T347-T350 PolarHBondContact O-OG1 3.4Å; T347-V446 HydrophobicContact CG2-CG1 3.88Å
348	F	90.9	Very high	95.2	Very high	83 Å²	83	20 Å²	20	36%	0.364	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	42.6	175	-61.5	-79.5	0	0	0	114.1	T289 T350 V390 M391 I394	T289-F348 HydrophobicContact CG2-CB 4.31Å; T289-F348 HydrophobicContact CG2-CD1 3.69Å; T289-F348 HydrophobicContact CG2-CD2 3.45Å; T289-F348 VanDerWaalsContact CG2-CD2 3.45Å; T289-F348 HydrophobicContact CG2-CE1 3.76Å; T289-F348 HydrophobicContact CG2-CE2 3.54Å; T289-F348 HydrophobicContact CG2-CG 3.53Å; T289-F348 HydrophobicContact CG2-CZ 3.69Å; F348-T350 PolarHBondContact O-N 3.45Å; F348-V390 HydrophobicContact CD1-CG1 4.04Å; F348-V390 HydrophobicContact CE1-CG1 4.26Å; F348-M391 HydrophobicContact CD1-SD 4.32Å; F348-I394 HydrophobicContact CB-CD1 3.87Å; F348-I394 HydrophobicContact CD1-CD1 4.14Å
349	C	96	Very high	95.4	Very high	6 Å²	6	15.5 Å²	15.5	4%	0.041	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	15	178.3	-57.5	0	0	0	0	116.2	T347 Q351 W352 P353 I394	T347-C349 VanDerWaalsContact C-N 3.26Å; T347-C349 PolarHBondContact O-N 3.15Å; T347-C349 VanDerWaalsContact O-N 3.13Å; C349-Q351 PolarHBondContact O-N 3.32Å; C349-Q351 VanDerWaalsContact O-N 3.17Å; C349-W352 PolarHBondContact O-N 3.12Å; C349-W352 VanDerWaalsContact O-N 3.14Å; C349-P353 WeakPolarHBondContact O-CD 3.48Å; C349-I394 HydrophobicContact CB-CG2 3.68Å
350	T	96.3	Very high	95.3	Very high	26 Å²	26	16.8 Å²	16.8	16%	0.16	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20	178.3	50	0	0	0	0	114	A293 L294 Q297 H307 T347 F348	A293-T350 HydrophobicContact CB-CG2 4.31Å; L294-T350 HydrophobicContact CD2-CG2 4.43Å; Q297-T350 PolarHBondContact NE2-OG1 2.81Å; H307-T350 PolarHBondContact CE1-OG1 3.23Å; T347-T350 WeakPolarHBondContact O-CG2 3.48Å; T347-T350 PolarHBondContact O-N 3.38Å; T347-T350 VanDerWaalsContact O-N 3.14Å; T347-T350 PolarHBondContact O-OG1 3.4Å; F348-T350 PolarHBondContact O-N 3.45Å
351	Q	97.4	Very high	95	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-37	173.2	-177.4	170.7	-9.8	0	0	113.5	H307 N311 C349 T354 N444	H307-Q351 HydrophobicContact CB-CB 4.29Å; H307-Q351 HydrophobicContact CB-CG 3.98Å; H307-Q351 PolarHBondContact CD2-OE1 3.3Å; N311-Q351 PolarHBondContact ND2-O 2.89Å; N311-Q351 WeakPolarHBondContact OD1-CG 3.49Å; N311-Q351 PolarHBondContact OD1-NE2 2.56Å; C349-Q351 PolarHBondContact O-N 3.32Å; C349-Q351 VanDerWaalsContact O-N 3.17Å; Q351-T354 PolarHBondContact O-OG1 2.83Å; Q351-T354 VanDerWaalsContact O-OG1 3.12Å; Q351-N444 PolarHBondContact NE2-OD1 3.08Å; Q351-N444 PolarHBondContact OE1-ND2 3.24Å
352	W	98.1	Very high	94.4	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-78.4	-30.8	-161.9	-55.3	131.2	0	0	0	116.9	I314 I341 D343 C349 T354 L355 L356 I372 L398 N444	I314-W352 HydrophobicContact CD1-CH2 4.26Å; I314-W352 HydrophobicContact CD1-CZ3 4.3Å; I341-W352 HydrophobicContact CD1-CE3 4.02Å; I341-W352 HydrophobicContact CD1-CH2 4.24Å; I341-W352 HydrophobicContact CD1-CZ3 3.71Å; I341-W352 HydrophobicContact CG2-CH2 3.63Å; I341-W352 HydrophobicContact CG2-CZ2 3.87Å; I341-W352 HydrophobicContact CG2-CZ3 4.2Å; D343-W352 HydrophobicContact CB-CZ2 3.7Å; D343-W352 VanDerWaalsContact CG-NE1 3.33Å; D343-W352 PolarHBondContact OD2-NE1 3.44Å; C349-W352 PolarHBondContact O-N 3.12Å; C349-W352 VanDerWaalsContact O-N 3.14Å; W352-T354 VanDerWaalsContact C-N 3.26Å; W352-T354 PolarHBondContact O-N 3.27Å; W352-L355 HydrophobicContact CE3-CB 4.33Å; W352-L355 HydrophobicContact CE3-CD2 3.8Å; W352-L355 HydrophobicContact CZ3-CD2 3.74Å; W352-L355 PolarHBondContact O-N 3.27Å; W352-L356 WeakPolarHBondContact O-CG 3.42Å; W352-L356 PolarHBondContact O-N 3.29Å; W352-I372 HydrophobicContact CB-CD1 3.87Å; W352-I372 HydrophobicContact CD2-CD1 3.87Å; W352-I372 HydrophobicContact CE3-CD1 4.31Å; W352-I372 HydrophobicContact CG-CD1 3.62Å; W352-L398 HydrophobicContact CB-CD1 4.23Å; W352-L398 HydrophobicContact CB-CD2 4.17Å; W352-N444 HydrophobicContact CH2-CB 3.77Å; W352-N444 WeakPolarHBondContact CH2-ND2 3.28Å; W352-N444 HydrophobicContact CZ2-CB 4.14Å; W352-N444 WeakPolarHBondContact CZ2-ND2 3.4Å
353	P	97.1	Very high	93.3	Very high	21 Å²	21	28.2 Å²	28.2	14%	0.136	15%	0.153	C	C	.	.	H	α-helix	trans	-56.3	-34.6	175.7	-29	36.3	0	0	0	114.5	L7 C349 E357 L398 F401	L7-P353 HydrophobicContact CD1-CB 3.99Å; L7-P353 HydrophobicContact CD1-CG 4.48Å; C349-P353 WeakPolarHBondContact O-CD 3.48Å; P353-E357 PolarHBondContact O-N 3.38Å; P353-E357 VanDerWaalsContact O-N 3.13Å; P353-L398 HydrophobicContact CG-CD1 4.07Å; P353-F401 HydrophobicContact CB-CD1 4.28Å; P353-F401 HydrophobicContact CB-CE1 4.03Å; P353-F401 HydrophobicContact CB-CZ 4.49Å; P353-F401 VanDerWaalsContact O-CE1 3.31Å; P353-F401 WeakPolarHBondContact O-CE1 3.44Å
354	T	95.4	Very high	91.9	Very high	22 Å²	22	33.1 Å²	33.1	14%	0.135	19%	0.188	C	C	.	.	H	α-helix	trans	-78.7	-29.1	178.6	55.7	0	0	0	0	113.1	L4 N311 Q351 W352 A358	L4-T354 HydrophobicContact CB-CG2 3.84Å; L4-T354 HydrophobicContact CD1-CG2 3.83Å; L4-T354 HydrophobicContact CG-CG2 3.63Å; N311-T354 PolarHBondContact ND2-OG1 3.36Å; N311-T354 VanDerWaalsContact ND2-OG1 3.08Å; Q351-T354 PolarHBondContact O-OG1 2.83Å; Q351-T354 VanDerWaalsContact O-OG1 3.12Å; W352-T354 VanDerWaalsContact C-N 3.26Å; W352-T354 PolarHBondContact O-N 3.27Å; T354-A358 WeakPolarHBondContact O-CB 3.36Å; T354-A358 PolarHBondContact O-N 3.35Å
355	L	97	Very high	90.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-70.6	-37.8	171.7	-173.5	62	0	0	0	111.6	N311 I314 L315 I341 W352 A358 L359	N311-L355 HydrophobicContact CB-CD1 4.36Å; I314-L355 HydrophobicContact CG2-CD2 3.96Å; L315-L355 HydrophobicContact CB-CD1 3.96Å; L315-L355 HydrophobicContact CD1-CD1 4.26Å; I341-L355 HydrophobicContact CD1-CD2 3.4Å; I341-L355 VanDerWaalsContact CD1-CD2 3.4Å; W352-L355 HydrophobicContact CE3-CB 4.33Å; W352-L355 HydrophobicContact CE3-CD2 3.8Å; W352-L355 HydrophobicContact CZ3-CD2 3.74Å; W352-L355 PolarHBondContact O-N 3.27Å; L355-A358 PolarHBondContact O-N 2.74Å; L355-L359 HydrophobicContact CG-CD1 4.15Å; L355-L359 WeakPolarHBondContact O-CB 3.38Å; L355-L359 WeakPolarHBondContact O-CG 3.13Å; L355-L359 PolarHBondContact O-N 2.92Å
356	L	96.4	Very high	89.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-41.7	172.7	-72.9	169.3	0	0	0	111.9	W352 A360 L370 L398 F401 A402 V407 F409	W352-L356 WeakPolarHBondContact O-CG 3.42Å; W352-L356 PolarHBondContact O-N 3.29Å; L356-A360 WeakPolarHBondContact O-CB 3.48Å; L356-A360 PolarHBondContact O-N 3.4Å; L356-A360 VanDerWaalsContact O-N 3.13Å; L356-L370 HydrophobicContact CD2-CD2 3.85Å; L356-L398 HydrophobicContact CD1-CD1 3.6Å; L356-L398 HydrophobicContact CD1-CG 4.17Å; L356-F401 HydrophobicContact CB-CD1 4.28Å; L356-F401 HydrophobicContact CB-CE1 4.01Å; L356-F401 HydrophobicContact CD1-CD1 3.91Å; L356-F401 HydrophobicContact CD1-CE1 4.44Å; L356-A402 HydrophobicContact CD1-CB 4.04Å; L356-A402 HydrophobicContact CD2-CB 4.06Å; L356-V407 HydrophobicContact CD2-CB 4.07Å; L356-V407 HydrophobicContact CD2-CG1 3.81Å; L356-V407 HydrophobicContact CD2-CG2 4.18Å; L356-F409 HydrophobicContact CD1-CE2 4.42Å; L356-F409 HydrophobicContact CD2-CD2 3.85Å; L356-F409 HydrophobicContact CD2-CE2 4.08Å
357	E	94.7	Very high	89.7	Confident	31 Å²	31	44 Å²	44	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-47.6	170.8	170.1	-177.6	-117.7	0	0	111.7	M1 T3 P353 A360 T361 M405	M1-E357 PolarHBondContact N-OE2 3.37Å; T3-E357 WeakPolarHBondContact CB-OE1 3.44Å; T3-E357 WeakPolarHBondContact CB-OE2 3.42Å; T3-E357 PolarHBondContact N-OE1 3.05Å; T3-E357 PolarHBondContact OG1-OE1 3.19Å; P353-E357 PolarHBondContact O-N 3.38Å; P353-E357 VanDerWaalsContact O-N 3.13Å; E357-A360 PolarHBondContact O-N 2.85Å; E357-T361 WeakPolarHBondContact O-CG2 3.44Å; E357-T361 PolarHBondContact O-N 3.3Å; E357-T361 PolarHBondContact O-OG1 2.9Å; E357-M405 HydrophobicContact CB-CE 4.4Å
358	A	93.9	Very high	89.6	Confident	21 Å²	21	43.7 Å²	43.7	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-38.2	-177	0	0	0	0	0	113.1	L315 T354 L355 T361 R362	L315-A358 HydrophobicContact CD1-CB 4.21Å; L315-A358 HydrophobicContact CD2-CB 3.64Å; T354-A358 WeakPolarHBondContact O-CB 3.36Å; T354-A358 PolarHBondContact O-N 3.35Å; L355-A358 PolarHBondContact O-N 2.74Å; A358-T361 WeakPolarHBondContact CA-OG1 3.32Å; A358-T361 PolarHBondContact O-N 2.82Å; A358-T361 PolarHBondContact O-OG1 3.39Å; A358-R362 WeakPolarHBondContact O-CB 3.44Å; A358-R362 WeakPolarHBondContact O-CG 3.42Å; A358-R362 PolarHBondContact O-N 3.03Å
359	L	92.9	Very high	89.7	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-44.6	175.6	-75.8	167.5	0	0	0	111.6	L315 L339 L355 T361 S363 L370	L315-L359 HydrophobicContact CD1-CD2 3.81Å; L315-L359 HydrophobicContact CD1-CG 4.12Å; L339-L359 HydrophobicContact CD1-CD2 4.05Å; L355-L359 HydrophobicContact CG-CD1 4.15Å; L355-L359 WeakPolarHBondContact O-CB 3.38Å; L355-L359 WeakPolarHBondContact O-CG 3.13Å; L355-L359 PolarHBondContact O-N 2.92Å; L359-T361 PolarHBondContact O-N 3.28Å; L359-S363 WeakPolarHBondContact O-CB 3.21Å; L359-S363 PolarHBondContact O-N 3.06Å; L359-S363 VanDerWaalsContact O-N 3.14Å; L359-S363 PolarHBondContact O-OG 3.12Å; L359-L370 HydrophobicContact CD1-CD2 3.78Å
360	A	91.7	Very high	89.6	Confident	28 Å²	28	41.9 Å²	41.9	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-22.6	177.6	0	0	0	0	0	114	L356 E357 M405 V407	L356-A360 WeakPolarHBondContact O-CB 3.48Å; L356-A360 PolarHBondContact O-N 3.4Å; L356-A360 VanDerWaalsContact O-N 3.13Å; E357-A360 PolarHBondContact O-N 2.85Å; A360-M405 HydrophobicContact CB-CB 4.22Å; A360-M405 HydrophobicContact CB-CE 4.3Å; A360-M405 VanDerWaalsContact CB-O 3.31Å; A360-M405 WeakPolarHBondContact CB-O 3.5Å; A360-V407 HydrophobicContact CB-CG2 3.87Å
361	T	90.8	Very high	89.6	Confident	102 Å²	102	41.4 Å²	41.4	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-103.7	-18.7	-176.6	49.5	0	0	0	0	114.4	E357 A358 L359	E357-T361 WeakPolarHBondContact O-CG2 3.44Å; E357-T361 PolarHBondContact O-N 3.3Å; E357-T361 PolarHBondContact O-OG1 2.9Å; A358-T361 WeakPolarHBondContact CA-OG1 3.32Å; A358-T361 PolarHBondContact O-N 2.82Å; A358-T361 PolarHBondContact O-OG1 3.39Å; L359-T361 PolarHBondContact O-N 3.28Å
362	R	86.1	Confident	89.7	Confident	130 Å²	130	41.4 Å²	41.4	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-107.6	-13.7	179.6	-65	179.8	73.6	154.8	-0.3	114.7	L319 A358	L319-R362 HydrophobicContact CD1-CB 4.06Å; L319-R362 HydrophobicContact CD2-CB 4.36Å; A358-R362 WeakPolarHBondContact O-CB 3.44Å; A358-R362 WeakPolarHBondContact O-CG 3.42Å; A358-R362 PolarHBondContact O-N 3.03Å
363	S	75.6	Confident	89.6	Confident	24 Å²	24	41.4 Å²	41.4	17%	0.168	23%	0.234	C	C	.	.	S	Bend	trans	-71.6	145.4	171	-54	0	0	0	0	109.9	L359 P368	L359-S363 WeakPolarHBondContact O-CB 3.21Å; L359-S363 PolarHBondContact O-N 3.06Å; L359-S363 VanDerWaalsContact O-N 3.14Å; L359-S363 PolarHBondContact O-OG 3.12Å; S363-P368 WeakPolarHBondContact OG-CD 3.37Å
364	S	68.8	Low	89.7	Confident	103 Å²	103	40.6 Å²	40.6	72%	0.72	23%	0.229	S	C	*	.			trans	-68	-173.5	163.9	48.7	0	0	0	0	110.7	D366	S364-D366 CarbonylContact O-C 3.56Å; S364-D366 PolarHBondContact O-N 2.85Å
365	D	66.8	Low	89.6	Confident	183 Å²	183	39.7 Å²	39.7	98%	0.979	22%	0.223	S	C	*	.	S	Bend	trans	-47.8	-15.6	-169.6	-63.6	-30.9	0	0	0	117.7
366	D	80	Confident	89.4	Confident	98 Å²	98	40.5 Å²	40.5	52%	0.524	23%	0.228	S	C	.	.	S	Bend	trans	-119.1	111.7	170.7	-168.4	14.5	0	0	0	110.8	P336 S364	P336-D366 WeakPolarHBondContact CG-OD2 3.39Å; S364-D366 CarbonylContact O-C 3.56Å; S364-D366 PolarHBondContact O-N 2.85Å
367	T	87.3	Confident	88.6	Confident	25 Å²	25	44.2 Å²	44.2	15%	0.153	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-82.9	121.6	178.2	-65.5	0	0	0	0	109.9	V407 P408	T367-V407 HydrophobicContact CG2-CB 4.44Å; T367-V407 HydrophobicContact CG2-CG1 4.24Å; T367-V407 HydrophobicContact CG2-CG2 4.21Å; T367-P408 WeakPolarHBondContact O-CD 3.49Å
368	P	88.5	Confident	87.5	Confident	10 Å²	10	43.3 Å²	43.3	7%	0.065	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-66	150.5	-173.8	27.9	-35.7	0	0	0	112.5	P337 L339 S363 L370	P337-P368 WeakPolarHBondContact O-CB 3.24Å; L339-P368 HydrophobicContact CD1-CB 4.07Å; L339-P368 HydrophobicContact CD1-CG 3.59Å; L339-P368 HydrophobicContact CG-CB 4.15Å; L339-P368 HydrophobicContact CG-CG 4.22Å; S363-P368 WeakPolarHBondContact OG-CD 3.37Å; P368-L370 PolarHBondContact O-N 3.46Å
369	H	92.2	Very high	86	Confident	50 Å²	50	46.7 Å²	46.7	23%	0.231	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-67.8	125.6	176.7	176.5	-68.9	0	0	0	111.4	L339 S371 P408	L339-H369 PolarHBondContact N-O 2.99Å; H369-S371 PolarHBondContact CE1-OG 3.04Å; H369-S371 VanDerWaalsContact CE1-OG 3.27Å; H369-P408 CarbonylContact C-O 3.56Å; H369-P408 VanDerWaalsContact CA-O 3.31Å; H369-P408 WeakPolarHBondContact CA-O 3.33Å; H369-P408 HydrophobicContact CB-CB 4.15Å
370	L	95.2	Very high	84	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.9	174.3	-179.6	66.4	0	0	0	112.3	F318 L339 I341 L356 L359 P368 I372 V407 P408 F409 S410	F318-L370 HydrophobicContact CE2-CD1 4.07Å; L339-L370 HydrophobicContact CB-CD1 3.77Å; I341-L370 HydrophobicContact CD1-CD1 3.93Å; I341-L370 HydrophobicContact CD1-CD2 4.44Å; I341-L370 HydrophobicContact CG1-CD1 4Å; L356-L370 HydrophobicContact CD2-CD2 3.85Å; L359-L370 HydrophobicContact CD1-CD2 3.78Å; P368-L370 PolarHBondContact O-N 3.46Å; L370-I372 HydrophobicContact CD2-CD1 4.06Å; L370-I372 HydrophobicContact CD2-CG1 4.14Å; L370-I372 HydrophobicContact CG-CG1 4.11Å; L370-V407 HydrophobicContact CB-CG1 4.38Å; L370-P408 PolarHBondContact N-O 3.09Å; L370-F409 HydrophobicContact CB-CD2 4.23Å; L370-F409 HydrophobicContact CD2-CD2 4.31Å; L370-F409 HydrophobicContact CD2-CE2 4.25Å; L370-F409 HydrophobicContact CG-CD2 4.3Å; L370-F409 HydrophobicContact CG-CE2 4.43Å; L370-F409 VanDerWaalsContact O-CA 3.3Å; L370-F409 WeakPolarHBondContact O-CA 3.14Å; L370-F409 VanDerWaalsContact O-CD2 3.24Å; L370-F409 WeakPolarHBondContact O-CD2 3.39Å; L370-S410 PolarHBondContact O-N 3.27Å
371	S	96.4	Very high	82.1	Confident	15 Å²	15	52.4 Å²	52.4	11%	0.105	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.3	164.5	-61.2	0	0	0	0	110.2	L339 H340 I341 H369 S410	L339-S371 PolarHBondContact O-N 3.14Å; H340-S371 CarbonylContact C-O 3.49Å; H340-S371 WeakPolarHBondContact CA-O 3.45Å; H340-S371 VanDerWaalsContact ND1-CB 3.3Å; H340-S371 WeakPolarHBondContact ND1-CB 3.31Å; I341-S371 PolarHBondContact N-O 3.06Å; H369-S371 PolarHBondContact CE1-OG 3.04Å; H369-S371 VanDerWaalsContact CE1-OG 3.27Å; S371-S410 WeakPolarHBondContact CA-O 3.47Å; S371-S410 PolarHBondContact OG-OG 3.24Å
372	I	97.9	Very high	80.3	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.4	166.7	-57.1	-176.9	0	0	0	109.6	I341 D343 W352 L370 F409 S410 F411 R412	I341-I372 HydrophobicContact CB-CG1 4.27Å; I341-I372 HydrophobicContact CD1-CD1 4.41Å; I341-I372 HydrophobicContact CD1-CG1 4.37Å; I341-I372 WeakPolarHBondContact O-CA 3.49Å; D343-I372 HydrophobicContact CB-CG2 4.18Å; W352-I372 HydrophobicContact CB-CD1 3.87Å; W352-I372 HydrophobicContact CD2-CD1 3.87Å; W352-I372 HydrophobicContact CE3-CD1 4.31Å; W352-I372 HydrophobicContact CG-CD1 3.62Å; L370-I372 HydrophobicContact CD2-CD1 4.06Å; L370-I372 HydrophobicContact CD2-CG1 4.14Å; L370-I372 HydrophobicContact CG-CG1 4.11Å; I372-F409 HydrophobicContact CB-CE2 4.46Å; I372-F409 HydrophobicContact CD1-CE2 3.76Å; I372-F409 HydrophobicContact CD1-CZ 4.18Å; I372-F409 HydrophobicContact CG1-CE2 3.84Å; I372-F409 HydrophobicContact CG1-CZ 4.38Å; I372-S410 PolarHBondContact N-O 2.85Å; I372-F411 HydrophobicContact CB-CD2 4.04Å; I372-F411 HydrophobicContact CG2-CD2 4.19Å; I372-F411 HydrophobicContact CG2-CE2 4.2Å; I372-F411 WeakPolarHBondContact O-CA 3.44Å; I372-R412 PolarHBondContact O-N 3.4Å
373	T	97.8	Very high	78.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.2	168.3	-59.8	0	0	0	0	108.6	H340 I341 L342 D343 R412 V414 L430	H340-T373 PolarHBondContact CE1-OG1 2.95Å; H340-T373 VanDerWaalsContact CE1-OG1 3.25Å; H340-T373 WeakPolarHBondContact NE2-CB 3.26Å; H340-T373 PolarHBondContact NE2-N 3.11Å; H340-T373 PolarHBondContact NE2-OG1 2.93Å; I341-T373 PolarHBondContact O-N 3.08Å; L342-T373 WeakPolarHBondContact CA-O 3.33Å; L342-T373 HydrophobicContact CD1-CG2 4.46Å; D343-T373 PolarHBondContact N-O 3.42Å; T373-R412 CarbonylContact C-O 3.5Å; T373-R412 WeakPolarHBondContact CA-O 3.34Å; T373-V414 HydrophobicContact CG2-CG2 3.86Å; T373-L430 HydrophobicContact CG2-CD2 4.03Å
374	T	97.5	Very high	78.7	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.9	177.6	-170	0	0	0	0	110.7	D343 V376 M391 F411 R412 A413 V414	D343-T374 CarbonylContact O-C 3.51Å; D343-T374 VanDerWaalsContact O-CA 3.29Å; D343-T374 WeakPolarHBondContact O-CA 3.38Å; D343-T374 WeakPolarHBondContact OD2-CB 3.42Å; D343-T374 PolarHBondContact OD2-OG1 3.16Å; T374-V376 HydrophobicContact CG2-CG2 4.39Å; T374-M391 HydrophobicContact CG2-CE 3.61Å; T374-F411 HydrophobicContact CG2-CE1 4.15Å; T374-F411 HydrophobicContact CG2-CE2 3.9Å; T374-F411 HydrophobicContact CG2-CZ 3.41Å; T374-F411 VanDerWaalsContact CG2-CZ 3.41Å; T374-R412 PolarHBondContact N-O 3.39Å; T374-A413 HydrophobicContact CG2-CB 4.02Å; T374-A413 WeakPolarHBondContact O-CA 3.42Å; T374-V414 PolarHBondContact O-N 3.24Å
375	V	95	Very high	79.3	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.9	176.1	-178.4	0	0	0	0	108.8	L342 D343 L344 P377 V414 H416 L420 L423	L342-V375 HydrophobicContact CD1-CG2 4.02Å; D343-V375 PolarHBondContact O-N 2.96Å; L344-V375 HydrophobicContact CD2-CB 3.6Å; L344-V375 HydrophobicContact CD2-CG1 4.42Å; L344-V375 HydrophobicContact CD2-CG2 3.49Å; L344-V375 VanDerWaalsContact CD2-CG2 3.49Å; V375-P377 VanDerWaalsContact O-CD 3.29Å; V375-P377 WeakPolarHBondContact O-CD 3.41Å; V375-V414 CarbonylContact C-O 3.45Å; V375-V414 WeakPolarHBondContact CA-O 3.42Å; V375-H416 HydrophobicContact CG1-CB 3.83Å; V375-L420 HydrophobicContact CG1-CD1 4.49Å; V375-L423 HydrophobicContact CG1-CD1 4.08Å; V375-L423 HydrophobicContact CG1-CD2 4.08Å; V375-L423 HydrophobicContact CG2-CD2 4.06Å
376	V	90.8	Very high	80.2	Confident	18 Å²	18	37.8 Å²	37.8	11%	0.109	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	101.6	-175.4	-178.9	0	0	0	0	107.9	T374 M391 A413 V414 H416	T374-V376 HydrophobicContact CG2-CG2 4.39Å; V376-M391 HydrophobicContact CG1-CG 4.31Å; V376-M391 HydrophobicContact CG2-CE 3.73Å; V376-M391 HydrophobicContact CG2-CG 3.87Å; V376-M391 HydrophobicContact CG2-SD 3.92Å; V376-A413 HydrophobicContact CG2-CB 4.48Å; V376-V414 PolarHBondContact N-O 3.33Å; V376-H416 PolarHBondContact O-N 2.92Å
377	P	81.1	Confident	80.4	Confident	77 Å²	77	34.2 Å²	34.2	50%	0.5	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	138.7	-179.6	28.5	-34.6	0	0	0	110.9	V375 H416	V375-P377 VanDerWaalsContact O-CD 3.29Å; V375-P377 WeakPolarHBondContact O-CD 3.41Å; P377-H416 CarbonylContact C-O 3.56Å
378	T	72.1	Confident	80.5	Confident	13 Å²	13	36.6 Å²	36.6	8%	0.08	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.1	176.3	71.8	0	0	0	0	108.8	G380 V381 H416 A417 G418	T378-G380 VanDerWaalsContact C-N 3.29Å; T378-G380 PolarHBondContact O-N 3.14Å; T378-V381 WeakPolarHBondContact CB-O 3.3Å; T378-V381 PolarHBondContact OG1-O 2.74Å; T378-V381 VanDerWaalsContact OG1-O 3.12Å; T378-H416 PolarHBondContact N-O 2.73Å; T378-H416 PolarHBondContact OG1-O 3.38Å; T378-A417 WeakPolarHBondContact OG1-CA 3.47Å; T378-G418 PolarHBondContact O-N 2.81Å
379	A	61.6	Low	80.6	Confident	91 Å²	91	43.5 Å²	43.5	75%	0.752	28%	0.278	S	S	*	.			trans	-71.7	72.3	-163.2	0	0	0	0	0	113.5	V381	A379-V381 PolarHBondContact O-N 2.86Å
380	G	51.7	Low	80.6	Confident	67 Å²	67	41.3 Å²	41.3	69%	0.691	27%	0.268	S	S	*	.	S	Bend	trans	69.6	-2.1	179.7	0	0	0	0	0	115.4	T378	T378-G380 VanDerWaalsContact C-N 3.29Å; T378-G380 PolarHBondContact O-N 3.14Å
381	V	51.7	Low	80.6	Confident	84 Å²	84	41.5 Å²	41.5	51%	0.509	27%	0.269	S	S	.	.	S	Bend	trans	-104.8	137.6	174.1	-171.4	0	0	0	0	108.2	T378 A379 S383	T378-V381 WeakPolarHBondContact CB-O 3.3Å; T378-V381 PolarHBondContact OG1-O 2.74Å; T378-V381 VanDerWaalsContact OG1-O 3.12Å; A379-V381 PolarHBondContact O-N 2.86Å; V381-S383 PolarHBondContact O-N 3.49Å
382	P	51.3	Low	80.5	Confident	108 Å²	108	47.7 Å²	47.7	70%	0.701	29%	0.29	S	S	*	.	S	Bend	trans	-49.8	135.9	169.1	-25.4	33.8	0	0	0	110	S384	P382-S384 PolarHBondContact O-N 3.44Å
383	S	58.4	Low	80.4	Confident	33 Å²	33	50.7 Å²	50.7	23%	0.231	30%	0.304	C	S	.	.			trans	-43.8	115.8	-167.3	60.6	0	0	0	0	112.8	V381 A385 Q388	V381-S383 PolarHBondContact O-N 3.49Å; S383-A385 PolarHBondContact O-N 2.79Å; S383-Q388 PolarHBondContact OG-NE2 2.89Å
384	S	70.4	Confident	80.3	Confident	28 Å²	28	51.4 Å²	51.4	20%	0.196	31%	0.308	C	S	.	.			trans	-55.3	136	-178.6	175.2	0	0	0	0	110.4	D281 P382 A386 A387 Q388	D281-S384 VanDerWaalsContact CG-OG 3.22Å; D281-S384 WeakPolarHBondContact OD1-CB 3.26Å; D281-S384 PolarHBondContact OD1-OG 3.14Å; D281-S384 VanDerWaalsContact OD1-OG 3.12Å; D281-S384 WeakPolarHBondContact OD2-CB 3.46Å; D281-S384 PolarHBondContact OD2-OG 2.85Å; P382-S384 PolarHBondContact O-N 3.44Å; S384-A386 PolarHBondContact O-N 3.01Å; S384-A386 VanDerWaalsContact O-N 3.13Å; S384-A386 WeakPolarHBondContact OG-CB 3.48Å; S384-A386 PolarHBondContact OG-N 2.85Å; S384-A386 VanDerWaalsContact OG-N 3.09Å; S384-A387 PolarHBondContact O-N 3.4Å; S384-Q388 PolarHBondContact O-N 2.96Å
385	A	82.1	Confident	80.3	Confident	53 Å²	53	52 Å²	52	44%	0.438	31%	0.313	S	S	.	.	H	α-helix	trans	-56.7	-26.8	172.6	0	0	0	0	0	111.5	S383 R389	S383-A385 PolarHBondContact O-N 2.79Å; A385-R389 VanDerWaalsContact O-CD 3.25Å; A385-R389 WeakPolarHBondContact O-CD 3.18Å; A385-R389 WeakPolarHBondContact O-CG 3.34Å; A385-R389 PolarHBondContact O-N 2.98Å; A385-R389 VanDerWaalsContact O-N 3.13Å
386	A	84.4	Confident	80.4	Confident	13 Å²	13	57.9 Å²	57.9	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-55.3	171.3	0	0	0	0	0	111.3	T284 S384 Q388 R389 V390	T284-A386 HydrophobicContact CG2-CB 4.11Å; S384-A386 PolarHBondContact O-N 3.01Å; S384-A386 VanDerWaalsContact O-N 3.13Å; S384-A386 WeakPolarHBondContact OG-CB 3.48Å; S384-A386 PolarHBondContact OG-N 2.85Å; S384-A386 VanDerWaalsContact OG-N 3.09Å; A386-Q388 VanDerWaalsContact C-N 3.31Å; A386-Q388 PolarHBondContact O-N 3.37Å; A386-R389 WeakPolarHBondContact O-CB 3.41Å; A386-R389 PolarHBondContact O-N 3.48Å; A386-V390 WeakPolarHBondContact O-CG2 3.35Å; A386-V390 PolarHBondContact O-N 2.9Å
387	A	85.1	Confident	80.6	Confident	23 Å²	23	62.2 Å²	62.2	19%	0.19	35%	0.354	C	S	.	.	H	α-helix	trans	-56.6	-42	178.4	0	0	0	0	0	112.7	S384 R389 V390 M391	S384-A387 PolarHBondContact O-N 3.4Å; A387-R389 VanDerWaalsContact C-N 3.35Å; A387-R389 PolarHBondContact O-N 3.49Å; A387-V390 PolarHBondContact O-N 3.41Å; A387-M391 WeakPolarHBondContact O-CG 3.41Å; A387-M391 PolarHBondContact O-N 3.3Å
388	Q	89.4	Confident	81.4	Confident	75 Å²	75	59 Å²	59	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-32.5	174.8	-68.7	-170.3	-10	0	0	113.7	S383 S384 A386 R392	S383-Q388 PolarHBondContact OG-NE2 2.89Å; S384-Q388 PolarHBondContact O-N 2.96Å; A386-Q388 VanDerWaalsContact C-N 3.31Å; A386-Q388 PolarHBondContact O-N 3.37Å; Q388-R392 WeakPolarHBondContact O-CG 3.43Å; Q388-R392 PolarHBondContact O-N 2.86Å; Q388-R392 PolarHBondContact O-NE 3.22Å
389	R	90.6	Very high	82.6	Confident	155 Å²	155	61.9 Å²	61.9	59%	0.585	35%	0.346	S	S	*	.	H	α-helix	trans	-69.7	-48.7	174	-72.4	161.5	-167.6	175.4	2.4	110.3	A385 A386 A387 M391 R392 E393	A385-R389 VanDerWaalsContact O-CD 3.25Å; A385-R389 WeakPolarHBondContact O-CD 3.18Å; A385-R389 WeakPolarHBondContact O-CG 3.34Å; A385-R389 PolarHBondContact O-N 2.98Å; A385-R389 VanDerWaalsContact O-N 3.13Å; A386-R389 WeakPolarHBondContact O-CB 3.41Å; A386-R389 PolarHBondContact O-N 3.48Å; A387-R389 VanDerWaalsContact C-N 3.35Å; A387-R389 PolarHBondContact O-N 3.49Å; R389-M391 VanDerWaalsContact C-N 3.35Å; R389-M391 PolarHBondContact O-N 3.25Å; R389-R392 VanDerWaalsContact CG-NH2 3.31Å; R389-R392 PolarHBondContact O-N 3.14Å; R389-E393 PolarHBondContact O-N 3.13Å; R389-E393 VanDerWaalsContact O-N 3.09Å
390	V	92.1	Very high	84.3	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-53.9	-50.1	177.5	173.4	0	0	0	0	110.9	T284 F286 T289 F348 A386 A387 R392 E393 I394	T284-V390 HydrophobicContact CG2-CG2 4.2Å; F286-V390 HydrophobicContact CB-CG2 4.43Å; F286-V390 HydrophobicContact CD2-CG1 4.41Å; T289-V390 HydrophobicContact CG2-CG1 4.35Å; F348-V390 HydrophobicContact CD1-CG1 4.04Å; F348-V390 HydrophobicContact CE1-CG1 4.26Å; A386-V390 WeakPolarHBondContact O-CG2 3.35Å; A386-V390 PolarHBondContact O-N 2.9Å; A387-V390 PolarHBondContact O-N 3.41Å; V390-R392 PolarHBondContact O-N 2.93Å; V390-E393 PolarHBondContact O-N 2.83Å; V390-I394 HydrophobicContact CG1-CD1 3.76Å; V390-I394 WeakPolarHBondContact O-CG1 3.43Å; V390-I394 PolarHBondContact O-N 2.94Å
391	M	94.7	Very high	86.5	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-68	-32.1	-177.7	-67.3	-57.5	-53.9	0	0	113.8	F348 T374 V376 A387 R389 I394 A395 F411 A413	F348-M391 HydrophobicContact CD1-SD 4.32Å; T374-M391 HydrophobicContact CG2-CE 3.61Å; V376-M391 HydrophobicContact CG1-CG 4.31Å; V376-M391 HydrophobicContact CG2-CE 3.73Å; V376-M391 HydrophobicContact CG2-CG 3.87Å; V376-M391 HydrophobicContact CG2-SD 3.92Å; A387-M391 WeakPolarHBondContact O-CG 3.41Å; A387-M391 PolarHBondContact O-N 3.3Å; R389-M391 VanDerWaalsContact C-N 3.35Å; R389-M391 PolarHBondContact O-N 3.25Å; M391-I394 PolarHBondContact O-N 2.78Å; M391-I394 HydrophobicContact SD-CD1 3.77Å; M391-A395 WeakPolarHBondContact O-CB 3.39Å; M391-A395 PolarHBondContact O-N 3.4Å; M391-F411 HydrophobicContact CE-CZ 4.11Å; M391-A413 HydrophobicContact CB-CB 4.24Å; M391-A413 HydrophobicContact CE-CB 4.11Å
392	R	94.9	Very high	88.6	Confident	145 Å²	145	58.4 Å²	58.4	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-66.9	-39.2	172	-77	-179.8	-70.2	138.9	-14	112.2	Q388 R389 V390 A395 Q396	Q388-R392 WeakPolarHBondContact O-CG 3.43Å; Q388-R392 PolarHBondContact O-N 2.86Å; Q388-R392 PolarHBondContact O-NE 3.22Å; R389-R392 VanDerWaalsContact CG-NH2 3.31Å; R389-R392 PolarHBondContact O-N 3.14Å; V390-R392 PolarHBondContact O-N 2.93Å; R392-A395 PolarHBondContact O-N 3.34Å; R392-Q396 WeakPolarHBondContact O-CG 3.44Å; R392-Q396 PolarHBondContact O-N 3.01Å; R392-Q396 VanDerWaalsContact O-N 3.14Å
393	E	95.7	Very high	90.8	Very high	64 Å²	64	61.8 Å²	61.8	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-68.8	-32.3	174.9	-108.6	-167.8	97.5	0	0	113.3	F286 R389 V390 R397	F286-E393 HydrophobicContact CB-CB 4.35Å; F286-E393 WeakPolarHBondContact CB-OE2 3.46Å; F286-E393 WeakPolarHBondContact CD1-OE1 3.42Å; F286-E393 HydrophobicContact CD2-CB 3.7Å; F286-E393 HydrophobicContact CE2-CB 4.2Å; F286-E393 HydrophobicContact CG-CB 3.98Å; F286-E393 HydrophobicContact CG-CG 4.42Å; F286-E393 WeakPolarHBondContact CG-OE1 3.44Å; R389-E393 PolarHBondContact O-N 3.13Å; R389-E393 VanDerWaalsContact O-N 3.09Å; V390-E393 PolarHBondContact O-N 2.83Å; E393-R397 VanDerWaalsContact CG-NH1 3.33Å; E393-R397 WeakPolarHBondContact O-CG 3.32Å; E393-R397 PolarHBondContact O-N 2.81Å; E393-R397 PolarHBondContact O-NH1 2.88Å; E393-R397 VanDerWaalsContact O-NH1 3.14Å; E393-R397 IonicContact OE1-CZ 2.77Å; E393-R397 IonicContact OE1-NH1 2.74Å; E393-R397 PolarHBondContact OE1-NH1 3.35Å; E393-R397 IonicContact OE1-NH2 3.83Å; E393-R397 PolarHBondContact OE1-NH2 2.91Å
394	I	96.1	Very high	92.5	Very high	17 Å²	17	66.4 Å²	66.4	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-66.8	-51.3	171.7	-71	166.8	0	0	0	109.9	F286 F348 C349 V390 M391 Q396 R397 L398 F411	F286-I394 HydrophobicContact CD2-CG1 4.13Å; F286-I394 HydrophobicContact CE2-CG1 3.74Å; F348-I394 HydrophobicContact CB-CD1 3.87Å; F348-I394 HydrophobicContact CD1-CD1 4.14Å; C349-I394 HydrophobicContact CB-CG2 3.68Å; V390-I394 HydrophobicContact CG1-CD1 3.76Å; V390-I394 WeakPolarHBondContact O-CG1 3.43Å; V390-I394 PolarHBondContact O-N 2.94Å; M391-I394 PolarHBondContact O-N 2.78Å; M391-I394 HydrophobicContact SD-CD1 3.77Å; I394-Q396 PolarHBondContact O-N 2.97Å; I394-R397 PolarHBondContact O-N 3.28Å; I394-L398 WeakPolarHBondContact O-CB 3.26Å; I394-L398 PolarHBondContact O-N 2.8Å; I394-F411 HydrophobicContact CG2-CZ 4.4Å
395	A	96.7	Very high	93.6	Very high	16 Å²	16	67.9 Å²	67.9	13%	0.132	31%	0.312	C	S	.	.	H	α-helix	trans	-52.3	-55.7	179.7	0	0	0	0	0	111.9	M391 R392 R397 L398 E399 F411	M391-A395 WeakPolarHBondContact O-CB 3.39Å; M391-A395 PolarHBondContact O-N 3.4Å; R392-A395 PolarHBondContact O-N 3.34Å; A395-R397 VanDerWaalsContact C-N 3.28Å; A395-R397 PolarHBondContact O-N 3.47Å; A395-L398 PolarHBondContact O-N 3.5Å; A395-L398 VanDerWaalsContact O-N 3.16Å; A395-E399 WeakPolarHBondContact O-CB 3.46Å; A395-E399 WeakPolarHBondContact O-CG 3.18Å; A395-E399 PolarHBondContact O-N 3.09Å; A395-F411 HydrophobicContact CB-CD1 3.41Å; A395-F411 VanDerWaalsContact CB-CD1 3.41Å; A395-F411 HydrophobicContact CB-CE1 3.62Å; A395-F411 HydrophobicContact CB-CG 4.46Å
396	Q	96.9	Very high	94.1	Very high	126 Å²	126	67.9 Å²	67.9	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-58.6	-37.7	-179.1	-70.2	174.4	3.5	0	0	113	R392 I394 K400	R392-Q396 WeakPolarHBondContact O-CG 3.44Å; R392-Q396 PolarHBondContact O-N 3.01Å; R392-Q396 VanDerWaalsContact O-N 3.14Å; I394-Q396 PolarHBondContact O-N 2.97Å; Q396-K400 VanDerWaalsContact O-CB 3.32Å; Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 2.98Å; Q396-K400 VanDerWaalsContact O-N 3.1Å
397	R	96.6	Very high	94.6	Very high	109 Å²	109	67.5 Å²	67.5	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-74.5	-39.1	177.7	-74.9	-170.6	-174.8	85.9	-7.6	112.4	E393 I394 A395 K400 F401	E393-R397 VanDerWaalsContact CG-NH1 3.33Å; E393-R397 WeakPolarHBondContact O-CG 3.32Å; E393-R397 PolarHBondContact O-N 2.81Å; E393-R397 PolarHBondContact O-NH1 2.88Å; E393-R397 VanDerWaalsContact O-NH1 3.14Å; E393-R397 IonicContact OE1-CZ 2.77Å; E393-R397 IonicContact OE1-NH1 2.74Å; E393-R397 PolarHBondContact OE1-NH1 3.35Å; E393-R397 IonicContact OE1-NH2 3.83Å; E393-R397 PolarHBondContact OE1-NH2 2.91Å; I394-R397 PolarHBondContact O-N 3.28Å; A395-R397 VanDerWaalsContact C-N 3.28Å; A395-R397 PolarHBondContact O-N 3.47Å; R397-K400 PolarHBondContact O-N 3.44Å; R397-F401 VanDerWaalsContact O-CB 3.32Å; R397-F401 WeakPolarHBondContact O-CB 3.43Å; R397-F401 PolarHBondContact O-N 3.38Å
398	L	97.1	Very high	95	Very high	11 Å²	11	69.2 Å²	69.2	6%	0.058	32%	0.323	C	S	.	.	H	α-helix	trans	-68.8	-41.4	179	-165.7	62.2	0	0	0	111.1	W352 P353 L356 I394 A395 K400 F401 A402 F409 F411	W352-L398 HydrophobicContact CB-CD1 4.23Å; W352-L398 HydrophobicContact CB-CD2 4.17Å; P353-L398 HydrophobicContact CG-CD1 4.07Å; L356-L398 HydrophobicContact CD1-CD1 3.6Å; L356-L398 HydrophobicContact CD1-CG 4.17Å; I394-L398 WeakPolarHBondContact O-CB 3.26Å; I394-L398 PolarHBondContact O-N 2.8Å; A395-L398 PolarHBondContact O-N 3.5Å; A395-L398 VanDerWaalsContact O-N 3.16Å; L398-K400 PolarHBondContact O-N 2.98Å; L398-F401 PolarHBondContact O-N 3.25Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.9Å; L398-F409 HydrophobicContact CB-CE1 4.41Å; L398-F409 HydrophobicContact CD2-CE1 4.34Å; L398-F409 HydrophobicContact CD2-CZ 3.73Å; L398-F409 HydrophobicContact CG-CE1 3.98Å; L398-F409 HydrophobicContact CG-CZ 3.72Å; L398-F411 HydrophobicContact CD2-CD2 3.68Å; L398-F411 HydrophobicContact CD2-CE2 3.75Å
399	E	97.6	Very high	95.3	Very high	73 Å²	73	67.2 Å²	67.2	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-36	171.7	-70.6	173.4	173.5	0	0	113.3	A395 R403 F409 F411	A395-E399 WeakPolarHBondContact O-CB 3.46Å; A395-E399 WeakPolarHBondContact O-CG 3.18Å; A395-E399 PolarHBondContact O-N 3.09Å; E399-R403 WeakPolarHBondContact O-CG 3.44Å; E399-R403 PolarHBondContact O-N 3.46Å; E399-R403 PolarHBondContact O-NE 3.24Å; E399-F409 HydrophobicContact CG-CD1 4.1Å; E399-F409 HydrophobicContact CG-CE1 4.04Å; E399-F411 HydrophobicContact CG-CB 4.34Å
400	K	97.5	Very high	95.5	Very high	127 Å²	127	62.2 Å²	62.2	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-68	-41.4	172.1	-175.9	176.9	178.4	179.3	0	110.9	Q396 R397 L398 L404	Q396-K400 VanDerWaalsContact O-CB 3.32Å; Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 2.98Å; Q396-K400 VanDerWaalsContact O-N 3.1Å; R397-K400 PolarHBondContact O-N 3.44Å; L398-K400 PolarHBondContact O-N 2.98Å; K400-L404 HydrophobicContact CG-CD1 4.26Å; K400-L404 VanDerWaalsContact O-CG 3.31Å; K400-L404 WeakPolarHBondContact O-CG 3.27Å; K400-L404 PolarHBondContact O-N 3.49Å; K400-L404 VanDerWaalsContact O-N 3.07Å
401	F	96.9	Very high	95.8	Very high	41 Å²	41	63.1 Å²	63.1	18%	0.18	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-46.6	179.1	-176.3	-97.7	0	0	0	111.9	T3 P353 L356 R397 L398 R403 L404 M405	T3-F401 HydrophobicContact CG2-CE2 4.22Å; T3-F401 HydrophobicContact CG2-CZ 3.74Å; P353-F401 HydrophobicContact CB-CD1 4.28Å; P353-F401 HydrophobicContact CB-CE1 4.03Å; P353-F401 HydrophobicContact CB-CZ 4.49Å; P353-F401 VanDerWaalsContact O-CE1 3.31Å; P353-F401 WeakPolarHBondContact O-CE1 3.44Å; L356-F401 HydrophobicContact CB-CD1 4.28Å; L356-F401 HydrophobicContact CB-CE1 4.01Å; L356-F401 HydrophobicContact CD1-CD1 3.91Å; L356-F401 HydrophobicContact CD1-CE1 4.44Å; R397-F401 VanDerWaalsContact O-CB 3.32Å; R397-F401 WeakPolarHBondContact O-CB 3.43Å; R397-F401 PolarHBondContact O-N 3.38Å; L398-F401 PolarHBondContact O-N 3.25Å; F401-R403 VanDerWaalsContact C-N 3.34Å; F401-R403 PolarHBondContact O-N 2.93Å; F401-L404 WeakPolarHBondContact O-CB 3.4Å; F401-L404 PolarHBondContact O-N 2.93Å; F401-M405 HydrophobicContact CD1-CG 4.12Å; F401-M405 HydrophobicContact CE1-CG 3.57Å; F401-M405 HydrophobicContact CE1-SD 4.44Å; F401-M405 HydrophobicContact CE2-CG 4.19Å; F401-M405 HydrophobicContact CE2-SD 4.26Å; F401-M405 HydrophobicContact CZ-CG 3.6Å; F401-M405 HydrophobicContact CZ-SD 3.87Å; F401-M405 WeakPolarHBondContact O-CG 3.38Å; F401-M405 PolarHBondContact O-N 2.94Å
402	A	97	Very high	95.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-44.9	176.1	0	0	0	0	0	112.2	L356 L398 L404 M405 G406 V407 F409	L356-A402 HydrophobicContact CD1-CB 4.04Å; L356-A402 HydrophobicContact CD2-CB 4.06Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.9Å; A402-L404 VanDerWaalsContact C-N 3.35Å; A402-L404 PolarHBondContact O-N 3.35Å; A402-M405 CarbonylContact O-C 3.57Å; A402-M405 PolarHBondContact O-N 3.36Å; A402-M405 VanDerWaalsContact O-N 3.14Å; A402-G406 PolarHBondContact O-N 2.86Å; A402-V407 HydrophobicContact CB-CB 4.4Å; A402-V407 PolarHBondContact O-N 2.7Å; A402-F409 HydrophobicContact CB-CB 3.42Å; A402-F409 VanDerWaalsContact CB-CB 3.42Å; A402-F409 HydrophobicContact CB-CD1 3.59Å; A402-F409 HydrophobicContact CB-CD2 4.11Å; A402-F409 HydrophobicContact CB-CE1 4.33Å; A402-F409 HydrophobicContact CB-CG 3.45Å; A402-F409 VanDerWaalsContact CB-CG 3.45Å
403	R	96	Very high	95.8	Very high	180 Å²	180	63.3 Å²	63.3	68%	0.679	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-37.8	173.6	-75.8	-179.1	-69.2	164.2	-7.4	113.6	E399 F401 M405 G406	E399-R403 WeakPolarHBondContact O-CG 3.44Å; E399-R403 PolarHBondContact O-N 3.46Å; E399-R403 PolarHBondContact O-NE 3.24Å; F401-R403 VanDerWaalsContact C-N 3.34Å; F401-R403 PolarHBondContact O-N 2.93Å; R403-M405 VanDerWaalsContact C-N 3.31Å; R403-G406 PolarHBondContact O-N 2.68Å
404	L	95.3	Very high	95.7	Very high	130 Å²	130	61.6 Å²	61.6	68%	0.681	31%	0.307	S	S	*	.	H	α-helix	trans	-68.6	-30.3	175.2	-72.7	169.1	0	0	0	112.4	K400 F401 A402 G406	K400-L404 HydrophobicContact CG-CD1 4.26Å; K400-L404 VanDerWaalsContact O-CG 3.31Å; K400-L404 WeakPolarHBondContact O-CG 3.27Å; K400-L404 PolarHBondContact O-N 3.49Å; K400-L404 VanDerWaalsContact O-N 3.07Å; F401-L404 WeakPolarHBondContact O-CB 3.4Å; F401-L404 PolarHBondContact O-N 2.93Å; A402-L404 VanDerWaalsContact C-N 3.35Å; A402-L404 PolarHBondContact O-N 3.35Å; L404-G406 VanDerWaalsContact C-N 3.33Å
405	M	93.2	Very high	95.5	Very high	58 Å²	58	63.7 Å²	63.7	29%	0.286	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3	174.1	-64.1	-50.5	-61.1	0	0	113.7	E357 A360 F401 A402 R403 V407	E357-M405 HydrophobicContact CB-CE 4.4Å; A360-M405 HydrophobicContact CB-CB 4.22Å; A360-M405 HydrophobicContact CB-CE 4.3Å; A360-M405 VanDerWaalsContact CB-O 3.31Å; A360-M405 WeakPolarHBondContact CB-O 3.5Å; F401-M405 HydrophobicContact CD1-CG 4.12Å; F401-M405 HydrophobicContact CE1-CG 3.57Å; F401-M405 HydrophobicContact CE1-SD 4.44Å; F401-M405 HydrophobicContact CE2-CG 4.19Å; F401-M405 HydrophobicContact CE2-SD 4.26Å; F401-M405 HydrophobicContact CZ-CG 3.6Å; F401-M405 HydrophobicContact CZ-SD 3.87Å; F401-M405 WeakPolarHBondContact O-CG 3.38Å; F401-M405 PolarHBondContact O-N 2.94Å; A402-M405 CarbonylContact O-C 3.57Å; A402-M405 PolarHBondContact O-N 3.36Å; A402-M405 VanDerWaalsContact O-N 3.14Å; R403-M405 VanDerWaalsContact C-N 3.31Å; M405-V407 VanDerWaalsContact C-N 3.31Å; M405-V407 HydrophobicContact CB-CG2 4.1Å; M405-V407 PolarHBondContact O-N 2.9Å
406	G	92.4	Very high	95.1	Very high	54 Å²	54	64.2 Å²	64.2	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	11.3	-177.2	0	0	0	0	0	115.2	A402 R403 L404 P408	A402-G406 PolarHBondContact O-N 2.86Å; R403-G406 PolarHBondContact O-N 2.68Å; L404-G406 VanDerWaalsContact C-N 3.33Å; G406-P408 WeakPolarHBondContact O-CD 3.34Å
407	V	94	Very high	94.4	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.024	31%	0.314	C	S	.	.			trans	-85.4	121.6	-179.4	-174.4	0	0	0	0	110.2	L356 A360 T367 L370 A402 M405 F409	L356-V407 HydrophobicContact CD2-CB 4.07Å; L356-V407 HydrophobicContact CD2-CG1 3.81Å; L356-V407 HydrophobicContact CD2-CG2 4.18Å; A360-V407 HydrophobicContact CB-CG2 3.87Å; T367-V407 HydrophobicContact CG2-CB 4.44Å; T367-V407 HydrophobicContact CG2-CG1 4.24Å; T367-V407 HydrophobicContact CG2-CG2 4.21Å; L370-V407 HydrophobicContact CB-CG1 4.38Å; A402-V407 HydrophobicContact CB-CB 4.4Å; A402-V407 PolarHBondContact O-N 2.7Å; M405-V407 VanDerWaalsContact C-N 3.31Å; M405-V407 HydrophobicContact CB-CG2 4.1Å; M405-V407 PolarHBondContact O-N 2.9Å; V407-F409 PolarHBondContact O-N 2.7Å
408	P	93.7	Very high	93.7	Very high	59 Å²	59	57.9 Å²	57.9	38%	0.383	31%	0.312	S	S	.	.			trans	-65.4	122.6	169.1	-14.4	29.2	0	0	0	109	T367 H369 L370 G406	T367-P408 WeakPolarHBondContact O-CD 3.49Å; H369-P408 CarbonylContact C-O 3.56Å; H369-P408 VanDerWaalsContact CA-O 3.31Å; H369-P408 WeakPolarHBondContact CA-O 3.33Å; H369-P408 HydrophobicContact CB-CB 4.15Å; L370-P408 PolarHBondContact N-O 3.09Å; G406-P408 WeakPolarHBondContact O-CD 3.34Å
409	F	95.9	Very high	93.2	Very high	34 Å²	34	59.1 Å²	59.1	15%	0.149	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	141.9	-161.4	-179.7	-102.9	0	0	0	113.8	L356 L370 I372 L398 E399 A402 V407 F411	L356-F409 HydrophobicContact CD1-CE2 4.42Å; L356-F409 HydrophobicContact CD2-CD2 3.85Å; L356-F409 HydrophobicContact CD2-CE2 4.08Å; L370-F409 HydrophobicContact CB-CD2 4.23Å; L370-F409 HydrophobicContact CD2-CD2 4.31Å; L370-F409 HydrophobicContact CD2-CE2 4.25Å; L370-F409 HydrophobicContact CG-CD2 4.3Å; L370-F409 HydrophobicContact CG-CE2 4.43Å; L370-F409 VanDerWaalsContact O-CA 3.3Å; L370-F409 WeakPolarHBondContact O-CA 3.14Å; L370-F409 VanDerWaalsContact O-CD2 3.24Å; L370-F409 WeakPolarHBondContact O-CD2 3.39Å; I372-F409 HydrophobicContact CB-CE2 4.46Å; I372-F409 HydrophobicContact CD1-CE2 3.76Å; I372-F409 HydrophobicContact CD1-CZ 4.18Å; I372-F409 HydrophobicContact CG1-CE2 3.84Å; I372-F409 HydrophobicContact CG1-CZ 4.38Å; L398-F409 HydrophobicContact CB-CE1 4.41Å; L398-F409 HydrophobicContact CD2-CE1 4.34Å; L398-F409 HydrophobicContact CD2-CZ 3.73Å; L398-F409 HydrophobicContact CG-CE1 3.98Å; L398-F409 HydrophobicContact CG-CZ 3.72Å; E399-F409 HydrophobicContact CG-CD1 4.1Å; E399-F409 HydrophobicContact CG-CE1 4.04Å; A402-F409 HydrophobicContact CB-CB 3.42Å; A402-F409 VanDerWaalsContact CB-CB 3.42Å; A402-F409 HydrophobicContact CB-CD1 3.59Å; A402-F409 HydrophobicContact CB-CD2 4.11Å; A402-F409 HydrophobicContact CB-CE1 4.33Å; A402-F409 HydrophobicContact CB-CG 3.45Å; A402-F409 VanDerWaalsContact CB-CG 3.45Å; V407-F409 PolarHBondContact O-N 2.7Å; F409-F411 HydrophobicContact CE1-CB 3.69Å; F409-F411 HydrophobicContact CZ-CB 3.93Å; F409-F411 HydrophobicContact CZ-CD2 4.14Å; F409-F411 HydrophobicContact CZ-CG 4.5Å
410	S	95.6	Very high	92.9	Very high	50 Å²	50	56.2 Å²	56.2	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.3	167.9	79.3	0	0	0	0	111.3	L370 S371 I372	L370-S410 PolarHBondContact O-N 3.27Å; S371-S410 WeakPolarHBondContact CA-O 3.47Å; S371-S410 PolarHBondContact OG-OG 3.24Å; I372-S410 PolarHBondContact N-O 2.85Å
411	F	97.1	Very high	92.5	Very high	22 Å²	22	52 Å²	52	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.3	-179.9	-176.6	-94.1	0	0	0	111.6	I372 T374 M391 I394 A395 L398 E399 F409 A413	I372-F411 HydrophobicContact CB-CD2 4.04Å; I372-F411 HydrophobicContact CG2-CD2 4.19Å; I372-F411 HydrophobicContact CG2-CE2 4.2Å; I372-F411 WeakPolarHBondContact O-CA 3.44Å; T374-F411 HydrophobicContact CG2-CE1 4.15Å; T374-F411 HydrophobicContact CG2-CE2 3.9Å; T374-F411 HydrophobicContact CG2-CZ 3.41Å; T374-F411 VanDerWaalsContact CG2-CZ 3.41Å; M391-F411 HydrophobicContact CE-CZ 4.11Å; I394-F411 HydrophobicContact CG2-CZ 4.4Å; A395-F411 HydrophobicContact CB-CD1 3.41Å; A395-F411 VanDerWaalsContact CB-CD1 3.41Å; A395-F411 HydrophobicContact CB-CE1 3.62Å; A395-F411 HydrophobicContact CB-CG 4.46Å; L398-F411 HydrophobicContact CD2-CD2 3.68Å; L398-F411 HydrophobicContact CD2-CE2 3.75Å; E399-F411 HydrophobicContact CG-CB 4.34Å; F409-F411 HydrophobicContact CE1-CB 3.69Å; F409-F411 HydrophobicContact CZ-CB 3.93Å; F409-F411 HydrophobicContact CZ-CD2 4.14Å; F409-F411 HydrophobicContact CZ-CG 4.5Å; F411-A413 HydrophobicContact CE1-CB 4.2Å
412	R	96	Very high	92.1	Very high	121 Å²	121	52.9 Å²	52.9	46%	0.457	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.6	176.1	-175.6	173.8	173	-160.7	-10.2	110.4	I372 T373 T374 V414 L428	I372-R412 PolarHBondContact O-N 3.4Å; T373-R412 CarbonylContact C-O 3.5Å; T373-R412 WeakPolarHBondContact CA-O 3.34Å; T374-R412 PolarHBondContact N-O 3.39Å; R412-V414 HydrophobicContact CG-CG2 4.2Å; R412-L428 PolarHBondContact NH1-O 3.42Å; R412-L428 PolarHBondContact NH2-O 2.94Å
413	A	94.6	Very high	91.8	Very high	34 Å²	34	53.6 Å²	53.6	28%	0.281	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.6	167.1	0	0	0	0	0	109.7	T374 V376 M391 F411	T374-A413 HydrophobicContact CG2-CB 4.02Å; T374-A413 WeakPolarHBondContact O-CA 3.42Å; V376-A413 HydrophobicContact CG2-CB 4.48Å; M391-A413 HydrophobicContact CB-CB 4.24Å; M391-A413 HydrophobicContact CE-CB 4.11Å; F411-A413 HydrophobicContact CE1-CB 4.2Å
414	V	93.5	Very high	91.6	Very high	27 Å²	27	50 Å²	50	16%	0.164	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.8	174.3	179.3	0	0	0	0	107.9	T373 T374 V375 V376 R412 L428	T373-V414 HydrophobicContact CG2-CG2 3.86Å; T374-V414 PolarHBondContact O-N 3.24Å; V375-V414 CarbonylContact C-O 3.45Å; V375-V414 WeakPolarHBondContact CA-O 3.42Å; V376-V414 PolarHBondContact N-O 3.33Å; R412-V414 HydrophobicContact CG-CG2 4.2Å; V414-L428 HydrophobicContact CB-CD2 4.37Å; V414-L428 HydrophobicContact CG1-CD2 3.91Å; V414-L428 HydrophobicContact CG2-CD2 4.17Å
415	H	91.1	Very high	91.5	Very high	62 Å²	62	44.1 Å²	44.1	29%	0.287	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.4	176.4	-69	-81.6	0	0	0	109.7
416	H	88.5	Confident	91.3	Very high	27 Å²	27	46.2 Å²	46.2	13%	0.125	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.4	179.3	-179.4	60.9	0	0	0	110.7	V375 V376 P377 T378 D419 L423	V375-H416 HydrophobicContact CG1-CB 3.83Å; V376-H416 PolarHBondContact O-N 2.92Å; P377-H416 CarbonylContact C-O 3.56Å; T378-H416 PolarHBondContact N-O 2.73Å; T378-H416 PolarHBondContact OG1-O 3.38Å; H416-D419 PolarHBondContact NE2-O 2.64Å; H416-L423 HydrophobicContact CB-CD1 4.07Å
417	A	83.6	Confident	91.2	Very high	64 Å²	64	46 Å²	46	53%	0.529	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.9	-177.6	0	0	0	0	0	111.8	T378	T378-A417 WeakPolarHBondContact OG1-CA 3.47Å
418	G	81.8	Confident	91.1	Very high	37 Å²	37	46.2 Å²	46.2	38%	0.381	29%	0.294	S	S	.	.	S	Bend	trans	90.6	-157.8	-179.8	0	0	0	0	0	113.9	T378 L420	T378-G418 PolarHBondContact O-N 2.81Å; G418-L420 PolarHBondContact O-N 2.88Å
419	D	86.6	Confident	90.8	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.203	30%	0.297	C	S	.	.			trans	-56.9	130.8	-179.2	-177.3	-6.3	0	0	0	110.9	H416 A421 G422 V452 A453 R459	H416-D419 PolarHBondContact NE2-O 2.64Å; D419-A421 PolarHBondContact O-N 2.86Å; D419-A421 WeakPolarHBondContact OD1-CB 3.35Å; D419-A421 PolarHBondContact OD1-N 3.47Å; D419-G422 PolarHBondContact O-N 3.5Å; D419-V452 WeakPolarHBondContact OD1-CA 3.13Å; D419-A453 PolarHBondContact OD1-N 3.48Å; D419-R459 IonicContact OD2-CZ 3.17Å; D419-R459 IonicContact OD2-NH1 3.24Å; D419-R459 PolarHBondContact OD2-NH1 3.22Å
420	L	89.7	Confident	90.4	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62	-24.7	179.3	-174.8	64.4	0	0	0	112.1	V375 G418 G422 L423 A448 G451 V452 F463	V375-L420 HydrophobicContact CG1-CD1 4.49Å; G418-L420 PolarHBondContact O-N 2.88Å; L420-G422 PolarHBondContact O-N 3.34Å; L420-L423 HydrophobicContact CD1-CB 4.3Å; L420-L423 HydrophobicContact CD1-CD2 3.91Å; L420-L423 WeakPolarHBondContact O-CB 3.48Å; L420-L423 PolarHBondContact O-N 3.15Å; L420-A448 HydrophobicContact CD2-CB 4.28Å; L420-A448 VanDerWaalsContact CD2-O 3.27Å; L420-A448 WeakPolarHBondContact CD2-O 3.27Å; L420-G451 PolarHBondContact N-O 3.36Å; L420-V452 HydrophobicContact CB-CG2 3.93Å; L420-V452 HydrophobicContact CD2-CG2 4.28Å; L420-V452 HydrophobicContact CG-CG2 4.32Å; L420-F463 HydrophobicContact CD1-CZ 4.33Å; L420-F463 HydrophobicContact CD2-CE1 3.98Å; L420-F463 HydrophobicContact CD2-CZ 3.81Å; L420-F463 HydrophobicContact CG-CE1 4.26Å; L420-F463 HydrophobicContact CG-CE2 3.95Å; L420-F463 HydrophobicContact CG-CZ 3.68Å; L420-F463 WeakPolarHBondContact O-CE2 3.23Å
421	A	89.1	Confident	89.7	Confident	39 Å²	39	42.7 Å²	42.7	32%	0.322	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64.7	-15.7	172.1	0	0	0	0	0	114.2	D419 L423 V452	D419-A421 PolarHBondContact O-N 2.86Å; D419-A421 WeakPolarHBondContact OD1-CB 3.35Å; D419-A421 PolarHBondContact OD1-N 3.47Å; A421-L423 VanDerWaalsContact C-N 3.33Å; A421-V452 HydrophobicContact CB-CG1 3.87Å
422	G	88.9	Confident	88.7	Confident	58 Å²	58	44.2 Å²	44.2	60%	0.598	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-85.2	1.4	172.6	0	0	0	0	0	114.6	D419 L420 D424	D419-G422 PolarHBondContact O-N 3.5Å; L420-G422 PolarHBondContact O-N 3.34Å; G422-D424 PolarHBondContact O-N 3.11Å
423	L	91.4	Very high	87.3	Confident	16 Å²	16	49.4 Å²	49.4	8%	0.084	31%	0.312	C	S	.	.			trans	-71.7	117.9	178.6	-179.1	68.6	0	0	0	110.8	L344 V375 H416 L420 A421 L425 L428	L344-L423 HydrophobicContact CD2-CD2 4.24Å; V375-L423 HydrophobicContact CG1-CD1 4.08Å; V375-L423 HydrophobicContact CG1-CD2 4.08Å; V375-L423 HydrophobicContact CG2-CD2 4.06Å; H416-L423 HydrophobicContact CB-CD1 4.07Å; L420-L423 HydrophobicContact CD1-CB 4.3Å; L420-L423 HydrophobicContact CD1-CD2 3.91Å; L420-L423 WeakPolarHBondContact O-CB 3.48Å; L420-L423 PolarHBondContact O-N 3.15Å; A421-L423 VanDerWaalsContact C-N 3.33Å; L423-L425 HydrophobicContact CD2-CD2 3.58Å; L423-L425 HydrophobicContact CG-CD2 4.1Å; L423-L425 PolarHBondContact O-N 3.3Å; L423-L428 HydrophobicContact CD1-CD2 4.23Å
424	D	92.5	Very high	85.7	Confident	105 Å²	105	53.5 Å²	53.5	56%	0.561	33%	0.326	S	S	*	.			trans	-73.5	89.5	170.1	-178.8	9.1	0	0	0	110.4	G422 D426 G427 L428	G422-D424 PolarHBondContact O-N 3.11Å; D424-D426 VanDerWaalsContact C-N 3.32Å; D424-D426 PolarHBondContact OD1-N 2.97Å; D424-G427 VanDerWaalsContact CG-N 3.33Å; D424-G427 PolarHBondContact O-N 2.88Å; D424-G427 PolarHBondContact OD1-N 3.49Å; D424-G427 WeakPolarHBondContact OD2-CA 3.21Å; D424-L428 WeakPolarHBondContact O-CG 3.16Å; D424-L428 PolarHBondContact O-N 3.45Å
425	L	92.9	Very high	84.1	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	35%	0.353	C	S	.	.	S	Bend	trans	-62.8	-37.5	177.6	-69.2	178.8	0	0	0	112.9	L342 L423 L428 S466 L467 L470	L342-L425 HydrophobicContact CD2-CD2 4.02Å; L423-L425 HydrophobicContact CD2-CD2 3.58Å; L423-L425 HydrophobicContact CG-CD2 4.1Å; L423-L425 PolarHBondContact O-N 3.3Å; L425-L428 HydrophobicContact CD2-CD1 3.93Å; L425-L428 WeakPolarHBondContact O-CB 3.39Å; L425-L428 PolarHBondContact O-N 3.43Å; L425-S466 VanDerWaalsContact CD1-OG 3.23Å; L425-S466 WeakPolarHBondContact CD1-OG 3.19Å; L425-L467 HydrophobicContact CD1-CD2 3.84Å; L425-L470 HydrophobicContact CB-CD1 4.26Å; L425-L470 HydrophobicContact CB-CD2 4.38Å; L425-L470 HydrophobicContact CD1-CD1 4.25Å; L425-L470 HydrophobicContact CD2-CD1 4.48Å
426	D	88.7	Confident	82.5	Confident	102 Å²	102	56.6 Å²	56.6	55%	0.545	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-71.4	-37.7	-177.2	-64.1	-63.5	0	0	0	109.6	D424 L428 R469	D424-D426 VanDerWaalsContact C-N 3.32Å; D424-D426 PolarHBondContact OD1-N 2.97Å; D426-L428 VanDerWaalsContact C-N 3.32Å; D426-L428 PolarHBondContact O-N 3.14Å; D426-R469 IonicContact OD2-NH2 3.33Å; D426-R469 PolarHBondContact OD2-NH2 3.09Å
427	G	90.4	Very high	81.3	Confident	51 Å²	51	56.3 Å²	56.3	53%	0.526	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-74.4	-4.5	173.1	0	0	0	0	0	116.5	D424 G429	D424-G427 VanDerWaalsContact CG-N 3.33Å; D424-G427 PolarHBondContact O-N 2.88Å; D424-G427 PolarHBondContact OD1-N 3.49Å; D424-G427 WeakPolarHBondContact OD2-CA 3.21Å; G427-G429 PolarHBondContact O-N 3.36Å
428	L	91.9	Very high	81	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.037	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-63.1	-24.7	177.3	-70.7	175	0	0	0	112.8	L342 R412 V414 L423 D424 L425 D426 L430	L342-L428 HydrophobicContact CD1-CD1 3.73Å; L342-L428 HydrophobicContact CD2-CD1 4.26Å; R412-L428 PolarHBondContact NH1-O 3.42Å; R412-L428 PolarHBondContact NH2-O 2.94Å; V414-L428 HydrophobicContact CB-CD2 4.37Å; V414-L428 HydrophobicContact CG1-CD2 3.91Å; V414-L428 HydrophobicContact CG2-CD2 4.17Å; L423-L428 HydrophobicContact CD1-CD2 4.23Å; D424-L428 WeakPolarHBondContact O-CG 3.16Å; D424-L428 PolarHBondContact O-N 3.45Å; L425-L428 HydrophobicContact CD2-CD1 3.93Å; L425-L428 WeakPolarHBondContact O-CB 3.39Å; L425-L428 PolarHBondContact O-N 3.43Å; D426-L428 VanDerWaalsContact C-N 3.32Å; D426-L428 PolarHBondContact O-N 3.14Å; L428-L430 HydrophobicContact CB-CD2 3.8Å; L428-L430 HydrophobicContact CB-CG 3.98Å; L428-L430 HydrophobicContact CD1-CD2 4.22Å
429	G	86.8	Confident	81.4	Confident	44 Å²	44	56.6 Å²	56.6	45%	0.454	38%	0.378	S	S	.	.			trans	64.8	54.6	-178.4	0	0	0	0	0	111.6	G427 G431	G427-G429 PolarHBondContact O-N 3.36Å; G429-G431 PolarHBondContact O-N 2.92Å; G429-G431 VanDerWaalsContact O-N 3.13Å
430	L	87.8	Confident	81.7	Confident	9 Å²	9	55.4 Å²	55.4	5%	0.047	37%	0.374	C	S	.	.			trans	-73.4	8	-177.8	-56.6	177.7	0	0	0	113.9	H340 L342 T373 L428 L432 L441 L470	H340-L430 VanDerWaalsContact CE1-C 3.49Å; H340-L430 WeakPolarHBondContact CE1-CA 3.31Å; H340-L430 PolarHBondContact CE1-O 3.14Å; H340-L430 VanDerWaalsContact CE1-O 3.29Å; H340-L430 PolarHBondContact ND1-O 2.54Å; H340-L430 VanDerWaalsContact ND1-O 3.08Å; H340-L430 WeakPolarHBondContact NE2-CD2 3.43Å; L342-L430 HydrophobicContact CD1-CD2 4.4Å; L342-L430 HydrophobicContact CD2-CD1 4.37Å; T373-L430 HydrophobicContact CG2-CD2 4.03Å; L428-L430 HydrophobicContact CB-CD2 3.8Å; L428-L430 HydrophobicContact CB-CG 3.98Å; L428-L430 HydrophobicContact CD1-CD2 4.22Å; L430-L432 HydrophobicContact CB-CD2 3.88Å; L430-L432 HydrophobicContact CB-CG 3.94Å; L430-L432 PolarHBondContact O-N 3.45Å; L430-L441 HydrophobicContact CD1-CD1 4.36Å; L430-L470 HydrophobicContact CD1-CD1 4.22Å
431	G	79.8	Confident	82	Confident	17 Å²	17	55.1 Å²	55.1	18%	0.175	37%	0.372	C	S	.	.			trans	60.7	17.1	175	0	0	0	0	0	116	G429 R433 E434	G429-G431 PolarHBondContact O-N 2.92Å; G429-G431 VanDerWaalsContact O-N 3.13Å; G431-R433 PolarHBondContact O-N 3.46Å; G431-E434 WeakPolarHBondContact O-CB 2.85Å; G431-E434 PolarHBondContact O-N 3.19Å
432	L	77.6	Confident	82.5	Confident	54 Å²	54	53.3 Å²	53.3	28%	0.283	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.7	-166.6	-57.5	-179.5	0	0	0	115.2	L430 T439 L441	L430-L432 HydrophobicContact CB-CD2 3.88Å; L430-L432 HydrophobicContact CB-CG 3.94Å; L430-L432 PolarHBondContact O-N 3.45Å; L432-T439 HydrophobicContact CD2-CG2 4.23Å; L432-L441 HydrophobicContact CD1-CD2 4.29Å; L432-L441 HydrophobicContact CD2-CB 4.09Å; L432-L441 HydrophobicContact CD2-CD1 4.27Å; L432-L441 HydrophobicContact CD2-CD2 4.24Å; L432-L441 HydrophobicContact CD2-CG 4.43Å
433	R	66.2	Low	82.9	Confident	230 Å²	230	50.5 Å²	50.5	87%	0.868	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	11.5	-179.5	-51.9	-179.4	79.3	136.9	2.6	112.9	G431	G431-R433 PolarHBondContact O-N 3.46Å
434	E	61.7	Low	83.3	Confident	120 Å²	120	49.8 Å²	49.8	56%	0.561	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	132.6	-178.4	-72.3	-178.9	-177.2	0	0	112.1	G431	G431-E434 WeakPolarHBondContact O-CB 2.85Å; G431-E434 PolarHBondContact O-N 3.19Å
435	G	58.2	Low	83.5	Confident	71 Å²	71	44.8 Å²	44.8	73%	0.732	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	11.2	176.5	0	0	0	0	0	115.4	A437	G435-A437 PolarHBondContact O-N 3.05Å; G435-A437 VanDerWaalsContact O-N 3.12Å
436	G	57.6	Low	83.7	Confident	82 Å²	82	44.7 Å²	44.7	85%	0.845	30%	0.298	S	S	*	.	S	Bend	trans	76.6	-10.1	173.2	0	0	0	0	0	115.9
437	A	63.6	Low	83.9	Confident	21 Å²	21	40.9 Å²	40.9	17%	0.174	28%	0.277	C	S	.	.	S	Bend	trans	-82.7	140.8	170.2	0	0	0	0	0	110.8	G435	G435-A437 PolarHBondContact O-N 3.05Å; G435-A437 VanDerWaalsContact O-N 3.12Å
438	A	78.2	Confident	84	Confident	83 Å²	83	39.1 Å²	39.1	69%	0.686	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-68.3	131.5	168.5	0	0	0	0	0	109.6
439	T	89.2	Confident	84	Confident	24 Å²	24	38.9 Å²	38.9	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.8	176.5	-59.4	0	0	0	0	109.9	R338 H340 L432 L441	R338-T439 HydrophobicContact CB-CG2 4.17Å; R338-T439 CarbonylContact O-C 3.54Å; R338-T439 VanDerWaalsContact O-CA 3.28Å; R338-T439 WeakPolarHBondContact O-CA 3.28Å; H340-T439 HydrophobicContact CB-CG2 3.63Å; L432-T439 HydrophobicContact CD2-CG2 4.23Å; T439-L441 PolarHBondContact O-N 3.42Å
440	A	93.7	Very high	83.9	Confident	14 Å²	14	37.9 Å²	37.9	12%	0.116	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.3	172.6	0	0	0	0	0	109.5	F318 A321 R338 L339 H340	F318-A440 HydrophobicContact CD1-CB 4.23Å; F318-A440 HydrophobicContact CE1-CB 4.26Å; F318-A440 WeakPolarHBondContact CE1-O 3.5Å; A321-A440 HydrophobicContact CB-CB 3.89Å; R338-A440 PolarHBondContact O-N 2.76Å; L339-A440 HydrophobicContact CD2-CB 3.96Å; H340-A440 PolarHBondContact N-O 2.98Å
441	L	96.2	Very high	83.5	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.4	178.1	178.2	65.1	0	0	0	111.1	H340 L342 L430 L432 T439 I443 L470 P472 R473	H340-L441 HydrophobicContact CB-CD1 4.23Å; H340-L441 CarbonylContact O-C 3.3Å; H340-L441 WeakPolarHBondContact O-CA 3.4Å; L342-L441 HydrophobicContact CB-CD1 4.26Å; L430-L441 HydrophobicContact CD1-CD1 4.36Å; L432-L441 HydrophobicContact CD1-CD2 4.29Å; L432-L441 HydrophobicContact CD2-CB 4.09Å; L432-L441 HydrophobicContact CD2-CD1 4.27Å; L432-L441 HydrophobicContact CD2-CD2 4.24Å; L432-L441 HydrophobicContact CD2-CG 4.43Å; T439-L441 PolarHBondContact O-N 3.42Å; L441-I443 HydrophobicContact CD2-CD1 4.39Å; L441-I443 HydrophobicContact CD2-CG1 4.23Å; L441-I443 HydrophobicContact CG-CG1 4.23Å; L441-L470 HydrophobicContact CD2-CB 3.7Å; L441-L470 HydrophobicContact CD2-CD1 4.4Å; L441-P472 HydrophobicContact CD2-CB 4.21Å; L441-P472 HydrophobicContact CG-CB 4.28Å; L441-P472 CarbonylContact O-C 3.54Å; L441-R473 WeakPolarHBondContact O-CB 3.36Å; L441-R473 PolarHBondContact O-N 3.02Å
442	A	98.4	Very high	83.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.5	158.1	0	0	0	0	0	109.8	I314 F318 H340 I341 L342 V474	I314-A442 HydrophobicContact CD1-CB 4.49Å; I314-A442 HydrophobicContact CG1-CB 4.08Å; I314-A442 HydrophobicContact CG2-CB 4.13Å; F318-A442 HydrophobicContact CE1-CB 3.65Å; F318-A442 HydrophobicContact CE2-CB 4.41Å; F318-A442 HydrophobicContact CZ-CB 3.47Å; F318-A442 VanDerWaalsContact CZ-CB 3.47Å; H340-A442 PolarHBondContact O-N 3.23Å; I341-A442 WeakPolarHBondContact CA-O 3.48Å; I341-A442 HydrophobicContact CG1-CB 4.39Å; L342-A442 PolarHBondContact N-O 3.38Å; A442-V474 WeakPolarHBondContact CA-O 3.35Å; A442-V474 HydrophobicContact CB-CG1 3.64Å
443	I	98.5	Very high	83.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.1	170	-56.9	175.6	0	0	0	107.6	L342 L441 L467 L470 P472 V474 V475 T476	L342-I443 HydrophobicContact CB-CG1 4.24Å; L342-I443 HydrophobicContact CD2-CD1 4.49Å; L342-I443 HydrophobicContact CD2-CG1 4.3Å; L342-I443 HydrophobicContact CD2-CG2 4.33Å; L342-I443 HydrophobicContact CG-CG2 4.46Å; L342-I443 WeakPolarHBondContact O-CA 3.47Å; L441-I443 HydrophobicContact CD2-CD1 4.39Å; L441-I443 HydrophobicContact CD2-CG1 4.23Å; L441-I443 HydrophobicContact CG-CG1 4.23Å; I443-L467 HydrophobicContact CD1-CB 4Å; I443-L467 HydrophobicContact CD1-CD2 4.23Å; I443-L467 HydrophobicContact CG2-CD1 4.44Å; I443-L467 HydrophobicContact CG2-CD2 4.19Å; I443-L470 HydrophobicContact CD1-CB 4.38Å; I443-L470 HydrophobicContact CD1-CD1 3.94Å; I443-P472 HydrophobicContact CD1-CB 3.74Å; I443-P472 HydrophobicContact CD1-CG 3.84Å; I443-P472 HydrophobicContact CG1-CB 3.85Å; I443-P472 HydrophobicContact CG1-CG 4.45Å; I443-V474 PolarHBondContact N-O 3.48Å; I443-V475 HydrophobicContact CB-CG1 4.2Å; I443-V475 HydrophobicContact CB-CG2 4.17Å; I443-V475 HydrophobicContact CD1-CG2 4.38Å; I443-V475 HydrophobicContact CG2-CG1 4.37Å; I443-V475 CarbonylContact O-C 3.58Å; I443-V475 VanDerWaalsContact O-CA 3.27Å; I443-V475 WeakPolarHBondContact O-CA 3.39Å; I443-T476 PolarHBondContact O-N 3.49Å; I443-T476 PolarHBondContact O-OG1 3.08Å
444	N	98.7	Very high	84	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.5	-178.4	179.7	79	0	0	0	109.9	A310 I314 I341 L342 D343 L344 Q351 W352 V446 T476	A310-N444 WeakPolarHBondContact CB-OD1 3.4Å; I314-N444 HydrophobicContact CD1-CB 4.16Å; I341-N444 HydrophobicContact CG2-CB 4.14Å; L342-N444 PolarHBondContact O-N 3.42Å; D343-N444 PolarHBondContact OD1-ND2 3.29Å; L344-N444 PolarHBondContact N-O 3.37Å; Q351-N444 PolarHBondContact NE2-OD1 3.08Å; Q351-N444 PolarHBondContact OE1-ND2 3.24Å; W352-N444 HydrophobicContact CH2-CB 3.77Å; W352-N444 WeakPolarHBondContact CH2-ND2 3.28Å; W352-N444 HydrophobicContact CZ2-CB 4.14Å; W352-N444 WeakPolarHBondContact CZ2-ND2 3.4Å; N444-V446 WeakPolarHBondContact ND2-CG2 3.46Å; N444-T476 WeakPolarHBondContact CA-OG1 3.06Å; N444-T476 PolarHBondContact OD1-OG1 2.85Å
445	C	98	Very high	83.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.6	178.8	-61.9	0	0	0	0	109.5	L344 L449 T476 V477 V478	L344-C445 CarbonylContact O-C 3.54Å; L344-C445 WeakPolarHBondContact O-CA 3.36Å; C445-L449 HydrophobicContact CB-CD1 4.38Å; C445-L449 HydrophobicContact CB-CD2 4.16Å; C445-L449 HydrophobicContact CB-CG 4.07Å; C445-T476 PolarHBondContact N-O 3.12Å; C445-V477 CarbonylContact O-C 3.53Å; C445-V477 WeakPolarHBondContact O-CA 3.42Å; C445-V478 PolarHBondContact O-N 2.5Å
446	V	97.5	Very high	83.9	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	106.4	178.2	-178.5	0	0	0	0	110	L344 S345 T347 N444 A448 V478	L344-V446 PolarHBondContact O-N 2.92Å; S345-V446 WeakPolarHBondContact CA-O 3.45Å; T347-V446 HydrophobicContact CG2-CG1 3.88Å; N444-V446 WeakPolarHBondContact ND2-CG2 3.46Å; V446-A448 PolarHBondContact O-N 3.49Å; V446-V478 WeakPolarHBondContact CA-O 3.15Å; V446-V478 HydrophobicContact CB-CB 4.33Å; V446-V478 HydrophobicContact CG1-CB 4.14Å; V446-V478 HydrophobicContact CG1-CG1 4.2Å; V446-V478 HydrophobicContact CG2-CB 4.06Å; V446-V478 HydrophobicContact CG2-CG2 4.07Å
447	N	93.1	Very high	84.1	Confident	21 Å²	21	17.9 Å²	17.9	11%	0.112	14%	0.142	C	C	.	.	S	Bend	trans	53.7	32.3	-176.9	-74.1	-27.2	0	0	0	113.6	N346 R450 V478 E479 E480	N346-N447 WeakPolarHBondContact ND2-CB 3.32Å; N346-N447 PolarHBondContact ND2-O 2.93Å; N447-R450 VanDerWaalsContact CG-NH1 3.31Å; N447-R450 PolarHBondContact OD1-NH1 2.93Å; N447-V478 PolarHBondContact N-O 2.68Å; N447-E479 WeakPolarHBondContact CA-OE1 3.42Å; N447-E480 PolarHBondContact ND2-OE1 3.38Å; N447-E480 PolarHBondContact OD1-N 3.14Å
448	A	91.4	Very high	84.8	Confident	14 Å²	14	27.1 Å²	27.1	12%	0.116	17%	0.172	C	C	.	.			trans	-110.9	-30.6	-173.6	0	0	0	0	0	113.2	L344 L420 V446 R450 G451 E479	L344-A448 HydrophobicContact CB-CB 3.95Å; L344-A448 WeakPolarHBondContact O-CB 3.2Å; L420-A448 HydrophobicContact CD2-CB 4.28Å; L420-A448 VanDerWaalsContact CD2-O 3.27Å; L420-A448 WeakPolarHBondContact CD2-O 3.27Å; V446-A448 PolarHBondContact O-N 3.49Å; A448-R450 VanDerWaalsContact C-N 3.28Å; A448-R450 PolarHBondContact O-N 3.3Å; A448-G451 WeakPolarHBondContact O-CA 3.38Å; A448-G451 PolarHBondContact O-N 3.47Å; A448-E479 PolarHBondContact N-OE1 2.69Å
449	L	91.2	Very high	85.1	Confident	3 Å²	3	29 Å²	29	2%	0.016	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-70	-28.4	-177.9	-55.7	-177.7	0	0	0	111.5	C445 G451 V452 F463 V477 E479 W565	C445-L449 HydrophobicContact CB-CD1 4.38Å; C445-L449 HydrophobicContact CB-CD2 4.16Å; C445-L449 HydrophobicContact CB-CG 4.07Å; L449-G451 PolarHBondContact O-N 2.87Å; L449-V452 WeakPolarHBondContact O-CB 3.27Å; L449-V452 PolarHBondContact O-N 3.22Å; L449-V452 VanDerWaalsContact O-N 3.09Å; L449-F463 HydrophobicContact CD2-CD1 4.1Å; L449-F463 HydrophobicContact CD2-CE1 3.82Å; L449-V477 HydrophobicContact CD1-CG1 3.61Å; L449-V477 HydrophobicContact CD1-CG2 4.35Å; L449-E479 HydrophobicContact CB-CG 4.48Å; L449-E479 WeakPolarHBondContact CB-OE1 3.12Å; L449-E479 PolarHBondContact N-OE1 2.98Å; L449-W565 HydrophobicContact CB-CE3 4.32Å; L449-W565 HydrophobicContact CB-CH2 3.34Å; L449-W565 HydrophobicContact CB-CZ2 3.65Å; L449-W565 HydrophobicContact CB-CZ3 3.7Å; L449-W565 HydrophobicContact CD1-CD2 4.32Å; L449-W565 HydrophobicContact CD1-CE3 3.89Å; L449-W565 HydrophobicContact CD1-CH2 4.41Å; L449-W565 HydrophobicContact CD1-CZ3 3.96Å; L449-W565 HydrophobicContact CG-CH2 4.49Å; L449-W565 HydrophobicContact CG-CZ3 4.43Å
450	R	85.5	Confident	85.2	Confident	22 Å²	22	27.9 Å²	27.9	8%	0.083	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.8	168.1	72.9	-173.9	-160.9	-155.9	15.9	113.6	N447 A448 V452 R460 E480 V556 E557	N447-R450 VanDerWaalsContact CG-NH1 3.31Å; N447-R450 PolarHBondContact OD1-NH1 2.93Å; A448-R450 VanDerWaalsContact C-N 3.28Å; A448-R450 PolarHBondContact O-N 3.3Å; R450-V452 PolarHBondContact O-N 3.44Å; R450-R460 PolarHBondContact O-NH2 3.42Å; R450-E480 IonicContact CZ-OE2 3.7Å; R450-E480 VanDerWaalsContact NH1-CD 3.32Å; R450-E480 IonicContact NH1-OE1 3.61Å; R450-E480 IonicContact NH1-OE2 2.68Å; R450-E480 PolarHBondContact NH1-OE2 3.27Å; R450-E480 IonicContact NH2-OE2 2.7Å; R450-V556 CarbonylContact C-O 3.57Å; R450-E557 IonicContact CZ-OE2 2.7Å; R450-E557 IonicContact NE-OE2 3.74Å; R450-E557 IonicContact NH2-OE1 2.65Å; R450-E557 IonicContact NH2-OE2 3.51Å; R450-E557 PolarHBondContact NH2-OE2 2.88Å
451	G	79.9	Confident	85.1	Confident	20 Å²	20	30 Å²	30	21%	0.206	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-74.1	-4.9	175.7	0	0	0	0	0	114.5	L420 A448 L449	L420-G451 PolarHBondContact N-O 3.36Å; A448-G451 WeakPolarHBondContact O-CA 3.38Å; A448-G451 PolarHBondContact O-N 3.47Å; L449-G451 PolarHBondContact O-N 2.87Å
452	V	86.1	Confident	84.9	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.186	C	C	.	.	S	Bend	trans	-79.3	117	159.7	177.8	0	0	0	0	108	D419 L420 A421 L449 R450 R459 R460 F463	D419-V452 WeakPolarHBondContact OD1-CA 3.13Å; L420-V452 HydrophobicContact CB-CG2 3.93Å; L420-V452 HydrophobicContact CD2-CG2 4.28Å; L420-V452 HydrophobicContact CG-CG2 4.32Å; A421-V452 HydrophobicContact CB-CG1 3.87Å; L449-V452 WeakPolarHBondContact O-CB 3.27Å; L449-V452 PolarHBondContact O-N 3.22Å; L449-V452 VanDerWaalsContact O-N 3.09Å; R450-V452 PolarHBondContact O-N 3.44Å; V452-R459 HydrophobicContact CG1-CB 3.92Å; V452-R460 HydrophobicContact CB-CG 3.88Å; V452-R460 HydrophobicContact CG1-CB 4.45Å; V452-R460 HydrophobicContact CG1-CG 3.63Å; V452-R460 PolarHBondContact O-NE 3.49Å; V452-R460 PolarHBondContact O-NH2 3.3Å; V452-F463 HydrophobicContact CG2-CB 4.11Å; V452-F463 HydrophobicContact CG2-CD1 3.8Å; V452-F463 HydrophobicContact CG2-CD2 4.43Å; V452-F463 HydrophobicContact CG2-CE1 4.35Å; V452-F463 HydrophobicContact CG2-CG 3.84Å
453	A	78.8	Confident	84.7	Confident	9 Å²	9	32.8 Å²	32.8	7%	0.074	19%	0.187	C	C	.	.			trans	-59.1	134.2	-177	0	0	0	0	0	110.6	D419 G455 R459	D419-A453 PolarHBondContact OD1-N 3.48Å; A453-G455 PolarHBondContact O-N 2.93Å; A453-G455 VanDerWaalsContact O-N 3.14Å; A453-R459 WeakPolarHBondContact O-CD 3.5Å
454	P	68.1	Low	84.6	Confident	20 Å²	20	32.8 Å²	32.8	13%	0.13	19%	0.187	C	C	.	.			trans	-76.4	1.5	-175.1	31.8	-35.4	0	0	0	113.6	G456 V485 A552 S555 R558	P454-G456 VanDerWaalsContact C-N 3.31Å; P454-G456 CarbonylContact O-C 3.58Å; P454-G456 VanDerWaalsContact O-C 3.3Å; P454-G456 PolarHBondContact O-N 2.81Å; P454-V485 HydrophobicContact CB-CG2 4.32Å; P454-A552 WeakPolarHBondContact CG-O 3.28Å; P454-S555 WeakPolarHBondContact CD-O 3.38Å; P454-R558 HydrophobicContact CG-CB 3.99Å; P454-R558 HydrophobicContact CG-CG 4.39Å
455	G	58.4	Low	84.4	Confident	20 Å²	20	34.6 Å²	34.6	21%	0.206	20%	0.202	C	C	.	.	S	Bend	trans	-56.9	84.7	179.7	0	0	0	0	0	113.2	A453 R459	A453-G455 PolarHBondContact O-N 2.93Å; A453-G455 VanDerWaalsContact O-N 3.14Å; G455-R459 VanDerWaalsContact O-CD 3.28Å; G455-R459 WeakPolarHBondContact O-CD 3.45Å; G455-R459 PolarHBondContact O-NE 2.84Å
456	G	59.5	Low	84.3	Confident	39 Å²	39	35.2 Å²	35.2	40%	0.402	21%	0.206	S	C	.	.	S	Bend	trans	81.7	111.4	-162.6	0	0	0	0	0	111.8	P454 R458 R459	P454-G456 VanDerWaalsContact C-N 3.31Å; P454-G456 CarbonylContact O-C 3.58Å; P454-G456 VanDerWaalsContact O-C 3.3Å; P454-G456 PolarHBondContact O-N 2.81Å; G456-R458 PolarHBondContact O-N 2.85Å; G456-R459 PolarHBondContact O-N 2.87Å
457	A	61.9	Low	84.2	Confident	55 Å²	55	35.1 Å²	35.1	46%	0.455	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-27.6	178.7	0	0	0	0	0	114.2	R459 R460 D461 R568	A457-R459 PolarHBondContact O-N 2.78Å; A457-R460 PolarHBondContact O-N 3.05Å; A457-D461 PolarHBondContact O-N 3.45Å; A457-D461 VanDerWaalsContact O-OD2 3.09Å; A457-R568 PolarHBondContact O-NH1 3.01Å
458	R	77.9	Confident	84.3	Confident	215 Å²	215	37.5 Å²	37.5	81%	0.811	21%	0.213	S	C	*	.	H	α-helix	trans	-55.7	-25.4	173.7	-62.2	-176.7	179.9	-172.4	-0.2	114.5	G456 A462	G456-R458 PolarHBondContact O-N 2.85Å; R458-A462 WeakPolarHBondContact O-CB 3.47Å; R458-A462 PolarHBondContact O-N 3.03Å
459	R	86	Confident	84.4	Confident	122 Å²	122	43.6 Å²	43.6	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-49.2	177.3	-72.3	-175.5	-179	-107.5	-9	111.6	D419 V452 A453 G455 G456 A457 D461 A462 F463	D419-R459 IonicContact OD2-CZ 3.17Å; D419-R459 IonicContact OD2-NH1 3.24Å; D419-R459 PolarHBondContact OD2-NH1 3.22Å; V452-R459 HydrophobicContact CG1-CB 3.92Å; A453-R459 WeakPolarHBondContact O-CD 3.5Å; G455-R459 VanDerWaalsContact O-CD 3.28Å; G455-R459 WeakPolarHBondContact O-CD 3.45Å; G455-R459 PolarHBondContact O-NE 2.84Å; G456-R459 PolarHBondContact O-N 2.87Å; A457-R459 PolarHBondContact O-N 2.78Å; R459-D461 VanDerWaalsContact C-N 3.34Å; R459-A462 PolarHBondContact O-N 3.5Å; R459-F463 WeakPolarHBondContact O-CB 2.93Å; R459-F463 PolarHBondContact O-N 2.71Å
460	R	91.1	Very high	84.6	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-43	176.2	-73.2	176.6	177.6	-173.3	-3.8	110.7	R450 V452 A457 F463 V464 R558 E560 W565	R450-R460 PolarHBondContact O-NH2 3.42Å; V452-R460 HydrophobicContact CB-CG 3.88Å; V452-R460 HydrophobicContact CG1-CB 4.45Å; V452-R460 HydrophobicContact CG1-CG 3.63Å; V452-R460 PolarHBondContact O-NE 3.49Å; V452-R460 PolarHBondContact O-NH2 3.3Å; A457-R460 PolarHBondContact O-N 3.05Å; R460-F463 PolarHBondContact O-N 3.26Å; R460-V464 VanDerWaalsContact O-CG2 3.32Å; R460-V464 WeakPolarHBondContact O-CG2 3.48Å; R460-V464 PolarHBondContact O-N 3.33Å; R460-R558 VanDerWaalsContact CZ-O 3.29Å; R460-R558 PolarHBondContact NH1-O 2.9Å; R460-R558 PolarHBondContact NH2-O 2.87Å; R460-E560 WeakPolarHBondContact CD-OE1 3.49Å; R460-E560 IonicContact CZ-OE1 3.98Å; R460-E560 IonicContact NE-OE1 3.63Å; R460-E560 IonicContact NH1-OE1 3.48Å; R460-E560 PolarHBondContact NH1-OE1 3.35Å; R460-W565 HydrophobicContact CB-CZ3 4.39Å; R460-W565 HydrophobicContact CG-CH2 4.13Å; R460-W565 HydrophobicContact CG-CZ3 4.48Å
461	D	91.9	Very high	85	Confident	57 Å²	57	50.6 Å²	50.6	31%	0.305	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.7	-57.6	-38.5	0	0	0	112.3	A457 R459 F463 V464 A465 R568	A457-D461 PolarHBondContact O-N 3.45Å; A457-D461 VanDerWaalsContact O-OD2 3.09Å; R459-D461 VanDerWaalsContact C-N 3.34Å; D461-F463 PolarHBondContact O-N 3.41Å; D461-V464 PolarHBondContact O-N 3.1Å; D461-A465 VanDerWaalsContact O-CB 3.26Å; D461-A465 WeakPolarHBondContact O-CB 3.35Å; D461-A465 PolarHBondContact O-N 2.8Å; D461-R568 WeakPolarHBondContact OD1-CG 3.32Å; D461-R568 IonicContact OD1-CZ 3.85Å; D461-R568 IonicContact OD1-NH1 2.86Å; D461-R568 PolarHBondContact OD1-NH1 3.25Å; D461-R568 IonicContact OD2-NH1 3.76Å; D461-R568 PolarHBondContact OD2-NH1 2.74Å
462	A	92.1	Very high	85.7	Confident	59 Å²	59	49.7 Å²	49.7	49%	0.488	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-35.5	177.7	0	0	0	0	0	112.8	R458 R459 S466	R458-A462 WeakPolarHBondContact O-CB 3.47Å; R458-A462 PolarHBondContact O-N 3.03Å; R459-A462 PolarHBondContact O-N 3.5Å; A462-S466 PolarHBondContact O-N 3.21Å
463	F	94.1	Very high	86.2	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-70.8	-45.1	174.9	-174.1	-101.1	0	0	0	111.9	L344 L420 L449 V452 R459 R460 D461 A465 S466 L467	L344-F463 HydrophobicContact CD1-CE1 4.14Å; L344-F463 HydrophobicContact CD1-CZ 3.83Å; L420-F463 HydrophobicContact CD1-CZ 4.33Å; L420-F463 HydrophobicContact CD2-CE1 3.98Å; L420-F463 HydrophobicContact CD2-CZ 3.81Å; L420-F463 HydrophobicContact CG-CE1 4.26Å; L420-F463 HydrophobicContact CG-CE2 3.95Å; L420-F463 HydrophobicContact CG-CZ 3.68Å; L420-F463 WeakPolarHBondContact O-CE2 3.23Å; L449-F463 HydrophobicContact CD2-CD1 4.1Å; L449-F463 HydrophobicContact CD2-CE1 3.82Å; V452-F463 HydrophobicContact CG2-CB 4.11Å; V452-F463 HydrophobicContact CG2-CD1 3.8Å; V452-F463 HydrophobicContact CG2-CD2 4.43Å; V452-F463 HydrophobicContact CG2-CE1 4.35Å; V452-F463 HydrophobicContact CG2-CG 3.84Å; R459-F463 WeakPolarHBondContact O-CB 2.93Å; R459-F463 PolarHBondContact O-N 2.71Å; R460-F463 PolarHBondContact O-N 3.26Å; D461-F463 PolarHBondContact O-N 3.41Å; F463-A465 VanDerWaalsContact C-N 3.26Å; F463-A465 PolarHBondContact O-N 2.98Å; F463-S466 PolarHBondContact O-N 3.07Å; F463-S466 PolarHBondContact O-OG 3.19Å; F463-L467 HydrophobicContact CE1-CD1 4.26Å; F463-L467 HydrophobicContact CE1-CD2 4.1Å; F463-L467 HydrophobicContact CE1-CG 4.31Å; F463-L467 HydrophobicContact CZ-CD2 4.09Å; F463-L467 WeakPolarHBondContact O-CG 3.41Å; F463-L467 PolarHBondContact O-N 2.94Å; F463-L467 VanDerWaalsContact O-N 3.1Å
464	V	95	Very high	87.1	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-38.8	174.3	179.1	0	0	0	0	110.5	R460 D461 S466 L467 R468 M569 A572 F574	R460-V464 VanDerWaalsContact O-CG2 3.32Å; R460-V464 WeakPolarHBondContact O-CG2 3.48Å; R460-V464 PolarHBondContact O-N 3.33Å; D461-V464 PolarHBondContact O-N 3.1Å; V464-S466 VanDerWaalsContact C-N 3.31Å; V464-S466 PolarHBondContact O-N 2.97Å; V464-L467 WeakPolarHBondContact O-CB 3.04Å; V464-L467 PolarHBondContact O-N 3.35Å; V464-R468 PolarHBondContact O-N 2.92Å; V464-M569 HydrophobicContact CG1-SD 3.41Å; V464-M569 WeakPolarHBondContact CG1-SD 3.35Å; V464-M569 HydrophobicContact CG2-SD 4.45Å; V464-A572 HydrophobicContact CB-CB 4.19Å; V464-A572 HydrophobicContact CG1-CB 3.54Å; V464-F574 HydrophobicContact CG1-CD2 4.21Å; V464-F574 HydrophobicContact CG1-CE2 3.99Å
465	A	94.7	Very high	88.6	Confident	38 Å²	38	53.3 Å²	53.3	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-26	173.2	0	0	0	0	0	113.8	D461 F463 R468 A572	D461-A465 VanDerWaalsContact O-CB 3.26Å; D461-A465 WeakPolarHBondContact O-CB 3.35Å; D461-A465 PolarHBondContact O-N 2.8Å; F463-A465 VanDerWaalsContact C-N 3.26Å; F463-A465 PolarHBondContact O-N 2.98Å; A465-R468 PolarHBondContact O-N 3.25Å; A465-A572 HydrophobicContact CB-CB 4.38Å
466	S	95.2	Very high	90.5	Very high	13 Å²	13	52.3 Å²	52.3	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-76.3	-34.2	173.1	65.9	0	0	0	0	112.5	L425 A462 F463 V464 R468 R469	L425-S466 VanDerWaalsContact CD1-OG 3.23Å; L425-S466 WeakPolarHBondContact CD1-OG 3.19Å; A462-S466 PolarHBondContact O-N 3.21Å; F463-S466 PolarHBondContact O-N 3.07Å; F463-S466 PolarHBondContact O-OG 3.19Å; V464-S466 VanDerWaalsContact C-N 3.31Å; V464-S466 PolarHBondContact O-N 2.97Å; S466-R468 PolarHBondContact O-N 2.92Å; S466-R469 VanDerWaalsContact CB-NH1 3.33Å; S466-R469 PolarHBondContact O-N 3.38Å; S466-R469 VanDerWaalsContact O-N 3.15Å
467	L	96.3	Very high	92.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-39	168.6	-55.1	-177.6	0	0	0	111.4	L344 L425 I443 F463 V464 R469 L470 P472 F574	L344-L467 HydrophobicContact CD1-CD2 4.19Å; L425-L467 HydrophobicContact CD1-CD2 3.84Å; I443-L467 HydrophobicContact CD1-CB 4Å; I443-L467 HydrophobicContact CD1-CD2 4.23Å; I443-L467 HydrophobicContact CG2-CD1 4.44Å; I443-L467 HydrophobicContact CG2-CD2 4.19Å; F463-L467 HydrophobicContact CE1-CD1 4.26Å; F463-L467 HydrophobicContact CE1-CD2 4.1Å; F463-L467 HydrophobicContact CE1-CG 4.31Å; F463-L467 HydrophobicContact CZ-CD2 4.09Å; F463-L467 WeakPolarHBondContact O-CG 3.41Å; F463-L467 PolarHBondContact O-N 2.94Å; F463-L467 VanDerWaalsContact O-N 3.1Å; V464-L467 WeakPolarHBondContact O-CB 3.04Å; V464-L467 PolarHBondContact O-N 3.35Å; L467-R469 VanDerWaalsContact C-N 3.28Å; L467-R469 PolarHBondContact O-N 3.45Å; L467-L470 PolarHBondContact O-N 3.32Å; L467-P472 WeakPolarHBondContact O-CD 3.32Å; L467-F574 HydrophobicContact CB-CZ 4.3Å
468	R	95.9	Very high	94.1	Very high	72 Å²	72	48.1 Å²	48.1	27%	0.272	22%	0.218	S	C	.	.	H	α-helix	trans	-64.5	-27.7	178.6	-175.8	61	-179.3	73.5	-3.3	113.8	V464 A465 S466 L470 E471 A572 G573 F574 P630	V464-R468 PolarHBondContact O-N 2.92Å; A465-R468 PolarHBondContact O-N 3.25Å; S466-R468 PolarHBondContact O-N 2.92Å; R468-L470 VanDerWaalsContact C-N 3.34Å; R468-E471 PolarHBondContact O-N 2.93Å; R468-A572 WeakPolarHBondContact CG-O 3.31Å; R468-G573 PolarHBondContact NE-O 2.92Å; R468-F574 HydrophobicContact CB-CD2 4.48Å; R468-F574 HydrophobicContact CB-CE1 4.48Å; R468-F574 HydrophobicContact CB-CE2 3.66Å; R468-F574 HydrophobicContact CB-CZ 3.66Å; R468-F574 HydrophobicContact CG-CE2 4.37Å; R468-F574 HydrophobicContact CG-CZ 4.33Å; R468-P630 VanDerWaalsContact CZ-CB 3.46Å; R468-P630 PolarHBondContact NE-OXT 3.43Å; R468-P630 PolarHBondContact NH2-OXT 3.31Å
469	R	93.9	Very high	95	Very high	142 Å²	142	37.9 Å²	37.9	54%	0.536	18%	0.18	S	C	.	.	H	α-helix	trans	-74.1	-21.5	179	-63.5	-163.5	-51.8	-93.2	4	113.8	D426 S466 L467 E471	D426-R469 IonicContact OD2-NH2 3.33Å; D426-R469 PolarHBondContact OD2-NH2 3.09Å; S466-R469 VanDerWaalsContact CB-NH1 3.33Å; S466-R469 PolarHBondContact O-N 3.38Å; S466-R469 VanDerWaalsContact O-N 3.15Å; L467-R469 VanDerWaalsContact C-N 3.28Å; L467-R469 PolarHBondContact O-N 3.45Å; R469-E471 PolarHBondContact O-N 2.96Å
470	L	93.9	Very high	95.5	Very high	17 Å²	17	32.8 Å²	32.8	9%	0.089	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	1	175.6	-60.6	178.7	0	0	0	113.2	L342 L425 L430 L441 I443 L467 R468 P472	L342-L470 HydrophobicContact CD2-CD1 3.92Å; L425-L470 HydrophobicContact CB-CD1 4.26Å; L425-L470 HydrophobicContact CB-CD2 4.38Å; L425-L470 HydrophobicContact CD1-CD1 4.25Å; L425-L470 HydrophobicContact CD2-CD1 4.48Å; L430-L470 HydrophobicContact CD1-CD1 4.22Å; L441-L470 HydrophobicContact CD2-CB 3.7Å; L441-L470 HydrophobicContact CD2-CD1 4.4Å; I443-L470 HydrophobicContact CD1-CB 4.38Å; I443-L470 HydrophobicContact CD1-CD1 3.94Å; L467-L470 PolarHBondContact O-N 3.32Å; R468-L470 VanDerWaalsContact C-N 3.34Å; L470-P472 VanDerWaalsContact C-CD 3.48Å
471	E	93.6	Very high	95.7	Very high	155 Å²	155	33.6 Å²	33.6	72%	0.724	17%	0.165	S	C	*	.			trans	47.2	48.6	-176.2	-56.7	-170.9	136.5	0	0	113.7	R468 R469	R468-E471 PolarHBondContact O-N 2.93Å; R469-E471 PolarHBondContact O-N 2.96Å
472	P	96	Very high	95.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.151	C	C	.	.			trans	-66	139.8	-176.5	31	-37.6	0	0	0	111	L441 I443 L467 L470 V474 V475 F574 P630	L441-P472 HydrophobicContact CD2-CB 4.21Å; L441-P472 HydrophobicContact CG-CB 4.28Å; L441-P472 CarbonylContact O-C 3.54Å; I443-P472 HydrophobicContact CD1-CB 3.74Å; I443-P472 HydrophobicContact CD1-CG 3.84Å; I443-P472 HydrophobicContact CG1-CB 3.85Å; I443-P472 HydrophobicContact CG1-CG 4.45Å; L467-P472 WeakPolarHBondContact O-CD 3.32Å; L470-P472 VanDerWaalsContact C-CD 3.48Å; P472-V474 VanDerWaalsContact C-N 3.31Å; P472-V474 PolarHBondContact O-N 2.96Å; P472-V475 HydrophobicContact CB-CG2 3.92Å; P472-V475 HydrophobicContact CG-CG2 3.47Å; P472-V475 VanDerWaalsContact CG-CG2 3.47Å; P472-F574 HydrophobicContact CG-CE1 4.08Å; P472-F574 HydrophobicContact CG-CZ 4.46Å; P472-P630 HydrophobicContact CG-CG 4.45Å; P472-P630 WeakPolarHBondContact O-CD 3.32Å; P472-P630 WeakPolarHBondContact O-CG 3.35Å
473	R	95.7	Very high	96	Very high	99 Å²	99	31.1 Å²	31.1	37%	0.374	14%	0.144	S	C	.	.	S	Bend	trans	-67	-36	174.3	-168.9	-177.5	169.8	85.3	-0.6	111.9	S317 L441	S317-R473 WeakPolarHBondContact O-CD 3.2Å; S317-R473 PolarHBondContact O-NE 3.47Å; S317-R473 PolarHBondContact O-NH2 3.08Å; S317-R473 VanDerWaalsContact OG-CD 3.31Å; S317-R473 WeakPolarHBondContact OG-CD 3.44Å; S317-R473 WeakPolarHBondContact OG-CG 3.44Å; S317-R473 PolarHBondContact OG-NE 2.83Å; L441-R473 WeakPolarHBondContact O-CB 3.36Å; L441-R473 PolarHBondContact O-N 3.02Å
474	V	98.2	Very high	96	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.9	174.6	63.8	0	0	0	0	110.5	I314 A442 I443 P472 T476 A627 W628	I314-V474 HydrophobicContact CG1-CG1 4.27Å; A442-V474 WeakPolarHBondContact CA-O 3.35Å; A442-V474 HydrophobicContact CB-CG1 3.64Å; I443-V474 PolarHBondContact N-O 3.48Å; P472-V474 VanDerWaalsContact C-N 3.31Å; P472-V474 PolarHBondContact O-N 2.96Å; V474-T476 HydrophobicContact CG2-CG2 4.37Å; V474-A627 HydrophobicContact CG2-CB 4.44Å; V474-W628 CarbonylContact C-O 3.57Å; V474-W628 WeakPolarHBondContact CA-O 3.49Å
475	V	98.7	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118	167.9	-175.1	0	0	0	0	108.3	I443 P472 V477 M569 F574 A627 W628	I443-V475 HydrophobicContact CB-CG1 4.2Å; I443-V475 HydrophobicContact CB-CG2 4.17Å; I443-V475 HydrophobicContact CD1-CG2 4.38Å; I443-V475 HydrophobicContact CG2-CG1 4.37Å; I443-V475 CarbonylContact O-C 3.58Å; I443-V475 VanDerWaalsContact O-CA 3.27Å; I443-V475 WeakPolarHBondContact O-CA 3.39Å; P472-V475 HydrophobicContact CB-CG2 3.92Å; P472-V475 HydrophobicContact CG-CG2 3.47Å; P472-V475 VanDerWaalsContact CG-CG2 3.47Å; V475-V477 HydrophobicContact CG1-CG2 4.22Å; V475-M569 HydrophobicContact CB-CE 4.22Å; V475-M569 HydrophobicContact CG1-CE 4Å; V475-F574 HydrophobicContact CB-CE1 4.38Å; V475-F574 HydrophobicContact CG2-CD1 4.31Å; V475-F574 HydrophobicContact CG2-CE1 3.5Å; V475-F574 VanDerWaalsContact CG2-CE1 3.5Å; V475-F574 HydrophobicContact CG2-CZ 3.89Å; V475-A627 CarbonylContact O-C 3.53Å; V475-W628 HydrophobicContact CB-CB 4.29Å; V475-W628 PolarHBondContact N-O 3.49Å; V475-W628 PolarHBondContact O-N 3.11Å
476	T	98.7	Very high	95.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.1	172.6	49.9	0	0	0	0	109.5	A310 A313 I314 I443 N444 C445 V474 S626 A627	A310-T476 HydrophobicContact CB-CG2 3.95Å; A313-T476 HydrophobicContact CB-CG2 4.08Å; I314-T476 HydrophobicContact CD1-CG2 4.26Å; I314-T476 HydrophobicContact CG1-CG2 3.92Å; I443-T476 PolarHBondContact O-N 3.49Å; I443-T476 PolarHBondContact O-OG1 3.08Å; N444-T476 WeakPolarHBondContact CA-OG1 3.06Å; N444-T476 PolarHBondContact OD1-OG1 2.85Å; C445-T476 PolarHBondContact N-O 3.12Å; V474-T476 HydrophobicContact CG2-CG2 4.37Å; T476-S626 WeakPolarHBondContact CA-O 3.44Å; T476-A627 HydrophobicContact CG2-CB 4.49Å
477	V	98.4	Very high	93.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.1	178.6	-173.6	0	0	0	0	108.9	C445 L449 V475 E479 M569 W624 T625 S626	C445-V477 CarbonylContact O-C 3.53Å; C445-V477 WeakPolarHBondContact O-CA 3.42Å; L449-V477 HydrophobicContact CD1-CG1 3.61Å; L449-V477 HydrophobicContact CD1-CG2 4.35Å; V475-V477 HydrophobicContact CG1-CG2 4.22Å; V477-E479 HydrophobicContact CG1-CG 4.13Å; V477-M569 HydrophobicContact CG2-CE 4.28Å; V477-M569 HydrophobicContact CG2-SD 4.36Å; V477-W624 HydrophobicContact CB-CH2 4.43Å; V477-W624 HydrophobicContact CB-CZ3 4.15Å; V477-W624 HydrophobicContact CG1-CE3 4.38Å; V477-W624 HydrophobicContact CG1-CH2 4.26Å; V477-W624 HydrophobicContact CG1-CZ3 3.59Å; V477-T625 CarbonylContact O-C 3.51Å; V477-T625 VanDerWaalsContact O-CA 3.26Å; V477-T625 WeakPolarHBondContact O-CA 3.42Å; V477-T625 PolarHBondContact O-OG1 2.93Å; V477-S626 PolarHBondContact N-O 3.26Å; V477-S626 PolarHBondContact O-N 2.86Å
478	V	98.2	Very high	91.9	Very high	4 Å²	4	41 Å²	41	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118.5	172.1	-179.2	0	0	0	0	107	C445 V446 N447 V623 W624	C445-V478 PolarHBondContact O-N 2.5Å; V446-V478 WeakPolarHBondContact CA-O 3.15Å; V446-V478 HydrophobicContact CB-CB 4.33Å; V446-V478 HydrophobicContact CG1-CB 4.14Å; V446-V478 HydrophobicContact CG1-CG1 4.2Å; V446-V478 HydrophobicContact CG2-CB 4.06Å; V446-V478 HydrophobicContact CG2-CG2 4.07Å; N447-V478 PolarHBondContact N-O 2.68Å; V478-V623 HydrophobicContact CG1-CG1 3.73Å; V478-W624 WeakPolarHBondContact CA-O 3.4Å
479	E	97.2	Very high	89.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153	177.5	-74.7	-69.7	153.2	0	0	110.5	N447 A448 L449 V477 W624	N447-E479 WeakPolarHBondContact CA-OE1 3.42Å; A448-E479 PolarHBondContact N-OE1 2.69Å; L449-E479 HydrophobicContact CB-CG 4.48Å; L449-E479 WeakPolarHBondContact CB-OE1 3.12Å; L449-E479 PolarHBondContact N-OE1 2.98Å; V477-E479 HydrophobicContact CG1-CG 4.13Å; E479-W624 HydrophobicContact CB-CE3 4.35Å; E479-W624 PolarHBondContact N-O 3.06Å; E479-W624 PolarHBondContact O-N 3.2Å
480	E	97.2	Very high	87.7	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.065	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.1	173.4	-79.5	165.4	-176.9	0	0	110.9	W302 N447 R450 A482 F514 R559 V622 V623	W302-E480 HydrophobicContact CZ2-CG 4.29Å; W302-E480 PolarHBondContact NE1-OE1 2.98Å; N447-E480 PolarHBondContact ND2-OE1 3.38Å; N447-E480 PolarHBondContact OD1-N 3.14Å; R450-E480 IonicContact CZ-OE2 3.7Å; R450-E480 VanDerWaalsContact NH1-CD 3.32Å; R450-E480 IonicContact NH1-OE1 3.61Å; R450-E480 IonicContact NH1-OE2 2.68Å; R450-E480 PolarHBondContact NH1-OE2 3.27Å; R450-E480 IonicContact NH2-OE2 2.7Å; E480-A482 PolarHBondContact O-N 3.45Å; E480-F514 HydrophobicContact CB-CE2 3.94Å; E480-F514 HydrophobicContact CB-CZ 3.73Å; E480-F514 HydrophobicContact CG-CE2 4.42Å; E480-F514 HydrophobicContact CG-CZ 3.96Å; E480-R559 HydrophobicContact CB-CG 4.27Å; E480-R559 IonicContact OE2-CZ 3.86Å; E480-R559 IonicContact OE2-NE 3.6Å; E480-R559 PolarHBondContact OE2-NE 2.96Å; E480-R559 IonicContact OE2-NH2 3.17Å; E480-R559 PolarHBondContact OE2-NH2 2.97Å; E480-V622 CarbonylContact C-O 3.4Å; E480-V622 WeakPolarHBondContact CA-O 3.47Å; E480-V623 HydrophobicContact CG-CG2 4.27Å
481	D	95.4	Very high	85.3	Confident	18 Å²	18	42.2 Å²	42.2	10%	0.096	25%	0.245	C	C	.	.			trans	-84.9	94.1	-169.4	-164.5	67.7	0	0	0	111.7	R513 T561 G562 F614 V622 W624	D481-R513 PolarHBondContact O-NH2 3.11Å; D481-T561 WeakPolarHBondContact OD1-CA 2.82Å; D481-G562 PolarHBondContact OD1-N 3.39Å; D481-F614 HydrophobicContact CB-CE1 4.42Å; D481-V622 PolarHBondContact N-O 3.27Å; D481-W624 HydrophobicContact CB-CB 4.41Å
482	A	95.2	Very high	83.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.256	C	S	.	.			trans	-151.9	141.6	174.6	0	0	0	0	0	112.1	E480 L484 E510 F514 R559 E560	E480-A482 PolarHBondContact O-N 3.45Å; A482-L484 HydrophobicContact CB-CD1 4.2Å; A482-L484 HydrophobicContact CB-CG 3.98Å; A482-L484 PolarHBondContact O-N 3.24Å; A482-L484 VanDerWaalsContact O-N 3.16Å; A482-E510 WeakPolarHBondContact CA-OE1 3.48Å; A482-E510 HydrophobicContact CB-CG 4.46Å; A482-E510 WeakPolarHBondContact CB-OE1 3.29Å; A482-F514 HydrophobicContact CB-CB 4.05Å; A482-F514 HydrophobicContact CB-CD2 3.71Å; A482-F514 HydrophobicContact CB-CE2 4.38Å; A482-F514 HydrophobicContact CB-CG 3.91Å; A482-R559 HydrophobicContact CB-CB 4.16Å; A482-R559 CarbonylContact O-C 3.16Å; A482-R559 WeakPolarHBondContact O-CB 3.4Å; A482-R559 VanDerWaalsContact O-O 3.13Å; A482-E560 CarbonylContact O-C 3.5Å; A482-E560 WeakPolarHBondContact O-CA 3.16Å; A482-E560 PolarHBondContact O-N 3.23Å
483	D	93.8	Very high	81.4	Confident	65 Å²	65	44.2 Å²	44.2	35%	0.348	28%	0.275	S	S	.	.			trans	-90.9	63.8	-176.5	-170	11.7	0	0	0	113.2	V485 K506 E510 T561	D483-V485 VanDerWaalsContact C-N 3.3Å; D483-V485 PolarHBondContact O-N 3.24Å; D483-K506 PolarHBondContact O-NZ 3.04Å; D483-K506 IonicContact OD1-NZ 3.27Å; D483-K506 PolarHBondContact OD1-NZ 2.93Å; D483-K506 VanDerWaalsContact OD2-CE 3.31Å; D483-K506 WeakPolarHBondContact OD2-CE 3.4Å; D483-K506 IonicContact OD2-NZ 2.76Å; D483-K506 PolarHBondContact OD2-NZ 3.46Å; D483-E510 HydrophobicContact CB-CG 4.3Å; D483-E510 PolarHBondContact N-OE1 2.78Å; D483-T561 HydrophobicContact CB-CG2 3.9Å
484	L	94.1	Very high	79.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	30%	0.295	C	S	.	.			trans	-88.2	11.4	-173.1	-59.8	176.2	0	0	0	114.4	A482 E510 L547 E557 R558 R559	A482-L484 HydrophobicContact CB-CD1 4.2Å; A482-L484 HydrophobicContact CB-CG 3.98Å; A482-L484 PolarHBondContact O-N 3.24Å; A482-L484 VanDerWaalsContact O-N 3.16Å; L484-E510 HydrophobicContact CD2-CB 4.12Å; L484-E510 HydrophobicContact CD2-CG 3.78Å; L484-E510 HydrophobicContact CG-CG 4.45Å; L484-L547 HydrophobicContact CB-CD2 4.17Å; L484-L547 HydrophobicContact CD1-CD1 3.76Å; L484-L547 HydrophobicContact CD1-CD2 4.02Å; L484-E557 WeakPolarHBondContact CD1-O 3.43Å; L484-R558 WeakPolarHBondContact O-CG 3.36Å; L484-R558 PolarHBondContact O-NH1 2.86Å; L484-R559 HydrophobicContact CD1-CB 4.01Å; L484-R559 HydrophobicContact CD1-CG 4.21Å; L484-R559 HydrophobicContact CG-CB 4.39Å; L484-R559 PolarHBondContact N-O 2.82Å; L484-R559 VanDerWaalsContact N-O 3.15Å
485	V	89.4	Confident	77.7	Confident	36 Å²	36	46.8 Å²	46.8	22%	0.218	31%	0.312	C	S	.	.			trans	-103.6	116.6	174.4	176.8	0	0	0	0	109.8	P454 D483 K506 R558 E560	P454-V485 HydrophobicContact CB-CG2 4.32Å; D483-V485 VanDerWaalsContact C-N 3.3Å; D483-V485 PolarHBondContact O-N 3.24Å; V485-K506 PolarHBondContact O-NZ 2.67Å; V485-R558 HydrophobicContact CG2-CB 4.22Å; V485-E560 HydrophobicContact CB-CG 4.26Å; V485-E560 HydrophobicContact CG2-CG 3.65Å
486	A	82	Confident	76.2	Confident	25 Å²	25	47.1 Å²	47.1	21%	0.207	32%	0.315	C	S	.	.			trans	-75.5	151.1	170.8	0	0	0	0	0	111.1	S488 A503 V507	A486-S488 PolarHBondContact O-N 3.41Å; A486-A503 HydrophobicContact CB-CB 3.51Å; A486-V507 HydrophobicContact CB-CG2 4.26Å
487	A	66	Low	74.9	Confident	95 Å²	95	53.4 Å²	53.4	79%	0.785	34%	0.344	S	S	*	.	S	Bend	trans	-77.2	106.7	-177.9	0	0	0	0	0	111.5
488	S	58.8	Low	73.8	Confident	111 Å²	111	56 Å²	56	78%	0.776	37%	0.367	S	S	*	.	S	Bend	trans	65.2	147.6	175.2	27.5	0	0	0	0	117.3	A486	A486-S488 PolarHBondContact O-N 3.41Å
489	E	52.4	Low	72.9	Confident	127 Å²	127	60 Å²	60	59%	0.593	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-59.9	138	169.9	-67.4	-74.7	155.2	0	0	110.1	S491	E489-S491 PolarHBondContact O-N 2.91Å
490	P	48	Very low	72.3	Confident	63 Å²	63	62 Å²	62	41%	0.409	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-61.1	125.7	176.9	25.2	-33	0	0	0	110.1	G496 D499	P490-G496 WeakPolarHBondContact CB-O 3.31Å; P490-D499 HydrophobicContact CB-CB 4.46Å
491	S	44.5	Very low	71.9	Confident	66 Å²	66	65.2 Å²	65.2	46%	0.462	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-61.1	148.5	170.3	73.9	0	0	0	0	109.6	E489 S493 G496	E489-S491 PolarHBondContact O-N 2.91Å; S491-S493 PolarHBondContact O-N 2.92Å; S491-S493 PolarHBondContact OG-OG 2.9Å; S491-G496 WeakPolarHBondContact O-CA 3.43Å
492	S	51.6	Low	71.7	Confident	137 Å²	137	67.3 Å²	67.3	96%	0.958	44%	0.439	S	S	*	.	S	Bend	trans	-74.1	36.2	-176.8	68.3	0	0	0	0	114.2
493	S	55.2	Low	71.4	Confident	60 Å²	60	68.7 Å²	68.7	42%	0.42	45%	0.451	S	S	.	.	S	Bend	trans	-108.6	171.4	175.2	68.5	0	0	0	0	109.7	S491 A495 G496	S491-S493 PolarHBondContact O-N 2.92Å; S491-S493 PolarHBondContact OG-OG 2.9Å; S493-A495 PolarHBondContact O-N 3.17Å; S493-A495 PolarHBondContact OG-N 2.22Å; S493-G496 WeakPolarHBondContact O-CA 3.35Å; S493-G496 PolarHBondContact O-N 3.13Å
494	S	57.3	Low	71.4	Confident	111 Å²	111	66.3 Å²	66.3	78%	0.776	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.6	174.2	49.9	0	0	0	0	113.6	G496 E497	S494-G496 PolarHBondContact O-N 2.97Å; S494-E497 PolarHBondContact O-N 3.14Å
495	A	60.6	Low	71.5	Confident	48 Å²	48	67.8 Å²	67.8	40%	0.397	44%	0.444	S	S	.	.	H	α-helix	trans	-61.5	-31.5	168.9	0	0	0	0	0	111.5	S493 E497 A498 D499	S493-A495 PolarHBondContact O-N 3.17Å; S493-A495 PolarHBondContact OG-N 2.22Å; A495-E497 PolarHBondContact O-N 3.32Å; A495-A498 PolarHBondContact O-N 3.21Å; A495-A498 VanDerWaalsContact O-N 3.16Å; A495-D499 WeakPolarHBondContact O-CB 3.2Å; A495-D499 PolarHBondContact O-N 3.43Å
496	G	66.5	Low	71.8	Confident	7 Å²	7	69.4 Å²	69.4	7%	0.072	45%	0.449	C	S	.	.	H	α-helix	trans	-60.9	-23.9	178.5	0	0	0	0	0	115	P490 S491 S493 S494 A500	P490-G496 WeakPolarHBondContact CB-O 3.31Å; S491-G496 WeakPolarHBondContact O-CA 3.43Å; S493-G496 WeakPolarHBondContact O-CA 3.35Å; S493-G496 PolarHBondContact O-N 3.13Å; S494-G496 PolarHBondContact O-N 2.97Å; G496-A500 WeakPolarHBondContact O-CB 3.19Å; G496-A500 PolarHBondContact O-N 3.27Å
497	E	70.2	Confident	72.5	Confident	132 Å²	132	68.6 Å²	68.6	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-74.4	-46.6	173.4	-65.6	-162.3	150.1	0	0	111.5	S494 A495 A500 E501	S494-E497 PolarHBondContact O-N 3.14Å; A495-E497 PolarHBondContact O-N 3.32Å; E497-A500 PolarHBondContact O-N 3.39Å; E497-E501 WeakPolarHBondContact O-CB 3.48Å; E497-E501 PolarHBondContact O-N 2.94Å
498	A	75.6	Confident	74	Confident	57 Å²	57	64.3 Å²	64.3	47%	0.471	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-38.1	175.3	0	0	0	0	0	111.9	A495 E501 A502	A495-A498 PolarHBondContact O-N 3.21Å; A495-A498 VanDerWaalsContact O-N 3.16Å; A498-E501 WeakPolarHBondContact O-CB 3.41Å; A498-E501 PolarHBondContact O-N 3.27Å; A498-A502 WeakPolarHBondContact O-CB 3.46Å; A498-A502 PolarHBondContact O-N 3.41Å
499	D	80.9	Confident	75.8	Confident	86 Å²	86	62 Å²	62	46%	0.46	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-42.5	173.3	-67	-27.8	0	0	0	110.9	P490 A495 A503	P490-D499 HydrophobicContact CB-CB 4.46Å; A495-D499 WeakPolarHBondContact O-CB 3.2Å; A495-D499 PolarHBondContact O-N 3.43Å; D499-A503 WeakPolarHBondContact O-CB 3.36Å; D499-A503 PolarHBondContact O-N 3.18Å
500	A	84	Confident	78	Confident	43 Å²	43	57.6 Å²	57.6	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-68.1	-35.7	176.3	0	0	0	0	0	112.7	G496 E497 F504	G496-A500 WeakPolarHBondContact O-CB 3.19Å; G496-A500 PolarHBondContact O-N 3.27Å; E497-A500 PolarHBondContact O-N 3.39Å; A500-F504 WeakPolarHBondContact O-CB 3.18Å; A500-F504 PolarHBondContact O-N 3.45Å
501	E	87.4	Confident	80.3	Confident	82 Å²	82	54.8 Å²	54.8	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-53.2	173.4	-165.6	-169.7	156.1	0	0	110.9	A225 E497 A498 A503 F504 M505	A225-E501 HydrophobicContact CB-CG 3.52Å; E497-E501 WeakPolarHBondContact O-CB 3.48Å; E497-E501 PolarHBondContact O-N 2.94Å; A498-E501 WeakPolarHBondContact O-CB 3.41Å; A498-E501 PolarHBondContact O-N 3.27Å; E501-A503 PolarHBondContact O-N 2.98Å; E501-F504 PolarHBondContact O-N 3.32Å; E501-M505 PolarHBondContact O-N 3.18Å
502	A	91.2	Very high	82.9	Confident	62 Å²	62	52 Å²	52	51%	0.512	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-42	177.9	0	0	0	0	0	111.9	A498 M505 K506	A498-A502 WeakPolarHBondContact O-CB 3.46Å; A498-A502 PolarHBondContact O-N 3.41Å; A502-M505 PolarHBondContact O-N 2.88Å; A502-K506 VanDerWaalsContact O-CB 3.24Å; A502-K506 WeakPolarHBondContact O-CB 3.2Å; A502-K506 PolarHBondContact O-N 3.35Å
503	A	90.5	Very high	85	Confident	30 Å²	30	48.6 Å²	48.6	25%	0.248	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-43.6	175	0	0	0	0	0	112.3	A486 D499 E501 V507	A486-A503 HydrophobicContact CB-CB 3.51Å; D499-A503 WeakPolarHBondContact O-CB 3.36Å; D499-A503 PolarHBondContact O-N 3.18Å; E501-A503 PolarHBondContact O-N 2.98Å; A503-V507 VanDerWaalsContact O-CG2 3.26Å; A503-V507 WeakPolarHBondContact O-CG2 3.31Å; A503-V507 PolarHBondContact O-N 3.31Å; A503-V507 VanDerWaalsContact O-N 3.14Å
504	F	94	Very high	87.1	Confident	14 Å²	14	45.8 Å²	45.8	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-50.6	175.2	171.2	-111.3	0	0	0	111.4	A221 V224 A225 L261 A500 E501 K506 V507 F508 V548	A221-F504 HydrophobicContact CB-CE1 4.16Å; A221-F504 HydrophobicContact CB-CZ 4.43Å; V224-F504 HydrophobicContact CG1-CE1 4.28Å; V224-F504 HydrophobicContact CG1-CZ 4.45Å; A225-F504 HydrophobicContact CB-CD1 4.03Å; A225-F504 HydrophobicContact CB-CE1 4.37Å; L261-F504 HydrophobicContact CD2-CZ 4.05Å; A500-F504 WeakPolarHBondContact O-CB 3.18Å; A500-F504 PolarHBondContact O-N 3.45Å; E501-F504 PolarHBondContact O-N 3.32Å; F504-K506 VanDerWaalsContact C-N 3.33Å; F504-K506 PolarHBondContact O-N 2.94Å; F504-V507 PolarHBondContact O-N 2.57Å; F504-F508 HydrophobicContact CE2-CB 4.46Å; F504-F508 HydrophobicContact CE2-CD2 4.12Å; F504-F508 HydrophobicContact CZ-CB 4.46Å; F504-F508 AromaticContact CZ-CD2 3.86Å; F504-F508 HydrophobicContact CZ-CD2 3.86Å; F504-F508 HydrophobicContact CZ-CG 4.44Å; F504-F508 VanDerWaalsContact O-CB 3.3Å; F504-F508 WeakPolarHBondContact O-CB 3.35Å; F504-F508 PolarHBondContact O-N 3.12Å; F504-V548 HydrophobicContact CE2-CG1 4.23Å
505	M	96.2	Very high	89	Confident	31 Å²	31	40.7 Å²	40.7	15%	0.153	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-38.8	-179.7	-78.3	-55	-48.9	0	0	112.9	A221 R222 A225 E501 A502 T509	A221-M505 VanDerWaalsContact C-SD 3.51Å; A221-M505 HydrophobicContact CB-CE 4.17Å; A221-M505 HydrophobicContact CB-SD 3.77Å; R222-M505 HydrophobicContact CG-CE 3.65Å; R222-M505 HydrophobicContact CG-SD 3.97Å; A225-M505 HydrophobicContact CB-CG 3.84Å; A225-M505 HydrophobicContact CB-SD 3.94Å; E501-M505 PolarHBondContact O-N 3.18Å; A502-M505 PolarHBondContact O-N 2.88Å; M505-T509 VanDerWaalsContact O-CB 3.3Å; M505-T509 WeakPolarHBondContact O-CB 3.34Å; M505-T509 PolarHBondContact O-N 3.31Å; M505-T509 PolarHBondContact O-OG1 2.97Å
506	K	95.3	Very high	90.8	Very high	71 Å²	71	39 Å²	39	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-61.1	-50.8	175.4	-172.3	-107.8	-173.9	-168.7	0	111.5	D483 V485 A502 F504 E510	D483-K506 PolarHBondContact O-NZ 3.04Å; D483-K506 IonicContact OD1-NZ 3.27Å; D483-K506 PolarHBondContact OD1-NZ 2.93Å; D483-K506 VanDerWaalsContact OD2-CE 3.31Å; D483-K506 WeakPolarHBondContact OD2-CE 3.4Å; D483-K506 IonicContact OD2-NZ 2.76Å; D483-K506 PolarHBondContact OD2-NZ 3.46Å; V485-K506 PolarHBondContact O-NZ 2.67Å; A502-K506 VanDerWaalsContact O-CB 3.24Å; A502-K506 WeakPolarHBondContact O-CB 3.2Å; A502-K506 PolarHBondContact O-N 3.35Å; F504-K506 VanDerWaalsContact C-N 3.33Å; F504-K506 PolarHBondContact O-N 2.94Å; K506-E510 WeakPolarHBondContact O-CB 3.35Å; K506-E510 PolarHBondContact O-N 2.83Å; K506-E510 VanDerWaalsContact O-N 3.09Å
507	V	95.4	Very high	92.2	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-39.5	179.4	173.4	0	0	0	0	111.7	A486 A503 F504 G511 L547	A486-V507 HydrophobicContact CB-CG2 4.26Å; A503-V507 VanDerWaalsContact O-CG2 3.26Å; A503-V507 WeakPolarHBondContact O-CG2 3.31Å; A503-V507 PolarHBondContact O-N 3.31Å; A503-V507 VanDerWaalsContact O-N 3.14Å; F504-V507 PolarHBondContact O-N 2.57Å; V507-G511 PolarHBondContact O-N 3.06Å; V507-L547 HydrophobicContact CG1-CD2 4.45Å
508	F	97.8	Very high	93.5	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-46.6	178.6	-170.8	-80	0	0	0	111.4	L217 L218 A221 F257 L261 F504 G511 L512 V548	L217-F508 HydrophobicContact CB-CE1 4.09Å; L217-F508 HydrophobicContact CB-CZ 4.09Å; L217-F508 WeakPolarHBondContact O-CE1 3.48Å; L218-F508 HydrophobicContact CD2-CD1 4.23Å; L218-F508 HydrophobicContact CD2-CE1 4.49Å; A221-F508 HydrophobicContact CB-CB 4.44Å; A221-F508 HydrophobicContact CB-CD1 3.44Å; A221-F508 VanDerWaalsContact CB-CD1 3.44Å; A221-F508 HydrophobicContact CB-CD2 3.92Å; A221-F508 HydrophobicContact CB-CE1 3.53Å; A221-F508 HydrophobicContact CB-CE2 3.98Å; A221-F508 HydrophobicContact CB-CG 3.66Å; A221-F508 HydrophobicContact CB-CZ 3.8Å; F257-F508 HydrophobicContact CB-CZ 4.45Å; F257-F508 HydrophobicContact CD1-CD2 4.35Å; F257-F508 HydrophobicContact CD1-CE1 4.31Å; F257-F508 AromaticContact CD1-CE2 3.64Å; F257-F508 HydrophobicContact CD1-CE2 3.64Å; F257-F508 AromaticContact CD1-CZ 3.61Å; F257-F508 HydrophobicContact CD1-CZ 3.61Å; F257-F508 HydrophobicContact CE1-CE2 4.28Å; F257-F508 HydrophobicContact CE1-CZ 4.3Å; F257-F508 HydrophobicContact CG-CZ 4.38Å; L261-F508 HydrophobicContact CD1-CE2 4.08Å; L261-F508 HydrophobicContact CD1-CZ 4.12Å; L261-F508 HydrophobicContact CD2-CD2 4.35Å; L261-F508 HydrophobicContact CD2-CE2 3.71Å; L261-F508 HydrophobicContact CD2-CZ 4.45Å; L261-F508 HydrophobicContact CG-CE2 3.91Å; L261-F508 HydrophobicContact CG-CZ 4.47Å; F504-F508 HydrophobicContact CE2-CB 4.46Å; F504-F508 HydrophobicContact CE2-CD2 4.12Å; F504-F508 HydrophobicContact CZ-CB 4.46Å; F504-F508 AromaticContact CZ-CD2 3.86Å; F504-F508 HydrophobicContact CZ-CD2 3.86Å; F504-F508 HydrophobicContact CZ-CG 4.44Å; F504-F508 VanDerWaalsContact O-CB 3.3Å; F504-F508 WeakPolarHBondContact O-CB 3.35Å; F504-F508 PolarHBondContact O-N 3.12Å; F508-G511 PolarHBondContact O-N 3.14Å; F508-L512 HydrophobicContact CE1-CD2 4.32Å; F508-L512 VanDerWaalsContact O-CB 3.28Å; F508-L512 WeakPolarHBondContact O-CB 3.29Å; F508-L512 PolarHBondContact O-N 3.12Å; F508-V548 HydrophobicContact CD2-CG1 4.39Å; F508-V548 HydrophobicContact CD2-CG2 4.04Å; F508-V548 HydrophobicContact CE2-CG1 4.4Å; F508-V548 HydrophobicContact CE2-CG2 4.23Å
509	T	97.7	Very high	94.6	Very high	63 Å²	63	30.9 Å²	30.9	39%	0.387	17%	0.173	S	C	.	.	H	α-helix	trans	-63.4	-46	180	-54.6	0	0	0	0	111.4	L218 M505 L512 R513	L218-T509 HydrophobicContact CD2-CG2 4.11Å; M505-T509 VanDerWaalsContact O-CB 3.3Å; M505-T509 WeakPolarHBondContact O-CB 3.34Å; M505-T509 PolarHBondContact O-N 3.31Å; M505-T509 PolarHBondContact O-OG1 2.97Å; T509-L512 PolarHBondContact O-N 3.27Å; T509-R513 PolarHBondContact O-N 2.79Å
510	E	97.1	Very high	95.4	Very high	35 Å²	35	28.2 Å²	28.2	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-70.3	-37.3	179	176.3	59.1	-177.5	0	0	112.5	A482 D483 L484 K506 R513 F514	A482-E510 WeakPolarHBondContact CA-OE1 3.48Å; A482-E510 HydrophobicContact CB-CG 4.46Å; A482-E510 WeakPolarHBondContact CB-OE1 3.29Å; D483-E510 HydrophobicContact CB-CG 4.3Å; D483-E510 PolarHBondContact N-OE1 2.78Å; L484-E510 HydrophobicContact CD2-CB 4.12Å; L484-E510 HydrophobicContact CD2-CG 3.78Å; L484-E510 HydrophobicContact CG-CG 4.45Å; K506-E510 WeakPolarHBondContact O-CB 3.35Å; K506-E510 PolarHBondContact O-N 2.83Å; K506-E510 VanDerWaalsContact O-N 3.09Å; E510-R513 VanDerWaalsContact CD-NE 3.32Å; E510-R513 WeakPolarHBondContact O-CB 3.39Å; E510-R513 PolarHBondContact O-N 3.38Å; E510-R513 IonicContact OE1-CZ 3.87Å; E510-R513 IonicContact OE1-NE 3.42Å; E510-R513 PolarHBondContact OE1-NE 2.76Å; E510-R513 IonicContact OE1-NH2 2.7Å; E510-R513 PolarHBondContact OE1-NH2 2.83Å; E510-R513 WeakPolarHBondContact OE2-CD 3.47Å; E510-R513 IonicContact OE2-CZ 3.07Å; E510-R513 IonicContact OE2-NE 3.71Å; E510-R513 PolarHBondContact OE2-NE 2.87Å; E510-R513 IonicContact OE2-NH2 3.3Å; E510-F514 WeakPolarHBondContact O-CB 3.48Å; E510-F514 PolarHBondContact O-N 3.46Å
511	G	97.8	Very high	96	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-45.9	172	0	0	0	0	0	111.5	V507 F508 R513 F514 F515	V507-G511 PolarHBondContact O-N 3.06Å; F508-G511 PolarHBondContact O-N 3.14Å; G511-R513 PolarHBondContact O-N 3.49Å; G511-F514 PolarHBondContact O-N 3.25Å; G511-F515 WeakPolarHBondContact O-CB 2.97Å; G511-F515 WeakPolarHBondContact O-CD2 3.34Å; G511-F515 PolarHBondContact O-N 3.31Å
512	L	98.1	Very high	96.5	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.6	179.5	61.5	0	0	0	111.9	A214 L217 L218 F257 F508 T509 S516	A214-L512 HydrophobicContact CB-CD2 4.32Å; L217-L512 HydrophobicContact CB-CD2 4.22Å; L217-L512 HydrophobicContact CD1-CD1 3.76Å; L218-L512 HydrophobicContact CD1-CD2 4.25Å; L218-L512 HydrophobicContact CD2-CD2 3.96Å; L218-L512 HydrophobicContact CG-CD2 3.68Å; F257-L512 HydrophobicContact CD2-CD1 4.24Å; F257-L512 HydrophobicContact CE1-CB 4.22Å; F257-L512 HydrophobicContact CE2-CD1 3.95Å; F257-L512 HydrophobicContact CZ-CB 4.03Å; F257-L512 HydrophobicContact CZ-CD1 4.19Å; F508-L512 HydrophobicContact CE1-CD2 4.32Å; F508-L512 VanDerWaalsContact O-CB 3.28Å; F508-L512 WeakPolarHBondContact O-CB 3.29Å; F508-L512 PolarHBondContact O-N 3.12Å; T509-L512 PolarHBondContact O-N 3.27Å; L512-S516 VanDerWaalsContact O-CB 3.27Å; L512-S516 WeakPolarHBondContact O-CB 3.3Å; L512-S516 PolarHBondContact O-N 3.35Å; L512-S516 PolarHBondContact O-OG 2.99Å
513	R	97.1	Very high	96.7	Very high	67 Å²	67	21.7 Å²	21.7	25%	0.253	11%	0.111	S	C	.	.	H	α-helix	trans	-55.6	-56.8	171.8	-178.8	-156.3	68.8	84.3	-12.6	111	D481 T509 E510 G511 S516 A517 Q620	D481-R513 PolarHBondContact O-NH2 3.11Å; T509-R513 PolarHBondContact O-N 2.79Å; E510-R513 VanDerWaalsContact CD-NE 3.32Å; E510-R513 WeakPolarHBondContact O-CB 3.39Å; E510-R513 PolarHBondContact O-N 3.38Å; E510-R513 IonicContact OE1-CZ 3.87Å; E510-R513 IonicContact OE1-NE 3.42Å; E510-R513 PolarHBondContact OE1-NE 2.76Å; E510-R513 IonicContact OE1-NH2 2.7Å; E510-R513 PolarHBondContact OE1-NH2 2.83Å; E510-R513 WeakPolarHBondContact OE2-CD 3.47Å; E510-R513 IonicContact OE2-CZ 3.07Å; E510-R513 IonicContact OE2-NE 3.71Å; E510-R513 PolarHBondContact OE2-NE 2.87Å; E510-R513 IonicContact OE2-NH2 3.3Å; G511-R513 PolarHBondContact O-N 3.49Å; R513-S516 PolarHBondContact O-N 3.15Å; R513-A517 PolarHBondContact O-N 3.17Å; R513-A517 VanDerWaalsContact O-N 3.17Å; R513-Q620 VanDerWaalsContact CG-NE2 3.26Å
514	F	97.8	Very high	97	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-46.9	-174.3	176.9	-96.7	0	0	0	112.3	W302 E480 A482 E510 G511 S516 A517 Y518	W302-F514 HydrophobicContact CH2-CE2 4.39Å; W302-F514 HydrophobicContact CH2-CZ 4.41Å; W302-F514 HydrophobicContact CZ2-CE2 4.04Å; W302-F514 AromaticContact CZ2-CZ 3.81Å; W302-F514 HydrophobicContact CZ2-CZ 3.81Å; E480-F514 HydrophobicContact CB-CE2 3.94Å; E480-F514 HydrophobicContact CB-CZ 3.73Å; E480-F514 HydrophobicContact CG-CE2 4.42Å; E480-F514 HydrophobicContact CG-CZ 3.96Å; A482-F514 HydrophobicContact CB-CB 4.05Å; A482-F514 HydrophobicContact CB-CD2 3.71Å; A482-F514 HydrophobicContact CB-CE2 4.38Å; A482-F514 HydrophobicContact CB-CG 3.91Å; E510-F514 WeakPolarHBondContact O-CB 3.48Å; E510-F514 PolarHBondContact O-N 3.46Å; G511-F514 PolarHBondContact O-N 3.25Å; F514-S516 PolarHBondContact O-N 3.38Å; F514-A517 PolarHBondContact O-N 2.98Å; F514-Y518 PolarHBondContact O-N 3.34Å
515	F	98.1	Very high	97	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-72.6	-26.2	179.5	-71.2	-64.6	0	0	0	113.3	L253 F257 G511 Y518 M519 A540 A543 I544 L547	L253-F515 HydrophobicContact CD2-CB 4.38Å; F257-F515 HydrophobicContact CE2-CB 4.18Å; F257-F515 HydrophobicContact CZ-CB 4.39Å; F257-F515 HydrophobicContact CZ-CD2 4.12Å; G511-F515 WeakPolarHBondContact O-CB 2.97Å; G511-F515 WeakPolarHBondContact O-CD2 3.34Å; G511-F515 PolarHBondContact O-N 3.31Å; F515-Y518 PolarHBondContact O-N 3.47Å; F515-M519 WeakPolarHBondContact O-CB 3.5Å; F515-M519 WeakPolarHBondContact O-CG 3.46Å; F515-M519 PolarHBondContact O-N 3.02Å; F515-A540 HydrophobicContact CD1-CB 3.83Å; F515-A540 HydrophobicContact CE1-CB 3.86Å; F515-A543 HydrophobicContact CE1-CB 4.24Å; F515-A543 HydrophobicContact CZ-CB 3.73Å; F515-I544 HydrophobicContact CB-CD1 4.15Å; F515-I544 HydrophobicContact CB-CG1 4.49Å; F515-I544 HydrophobicContact CD1-CD1 4.33Å; F515-I544 HydrophobicContact CD1-CG1 4.31Å; F515-I544 HydrophobicContact CD2-CD1 4.01Å; F515-I544 HydrophobicContact CD2-CG1 3.42Å; F515-I544 VanDerWaalsContact CD2-CG1 3.42Å; F515-I544 HydrophobicContact CE1-CG1 4.45Å; F515-I544 HydrophobicContact CE2-CG1 3.61Å; F515-I544 HydrophobicContact CG-CD1 3.9Å; F515-I544 HydrophobicContact CG-CG1 3.82Å; F515-I544 HydrophobicContact CZ-CG1 4.14Å; F515-L547 HydrophobicContact CE2-CD1 3.66Å; F515-L547 HydrophobicContact CZ-CD1 4.1Å
516	S	97.7	Very high	97.1	Very high	13 Å²	13	22.1 Å²	22.1	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-49.4	169.2	-59	0	0	0	0	110.6	L253 L512 R513 F514 Y518 M519 D520	L253-S516 WeakPolarHBondContact CD1-OG 3.39Å; L512-S516 VanDerWaalsContact O-CB 3.27Å; L512-S516 WeakPolarHBondContact O-CB 3.3Å; L512-S516 PolarHBondContact O-N 3.35Å; L512-S516 PolarHBondContact O-OG 2.99Å; R513-S516 PolarHBondContact O-N 3.15Å; F514-S516 PolarHBondContact O-N 3.38Å; S516-Y518 VanDerWaalsContact C-N 3.32Å; S516-Y518 PolarHBondContact O-N 3.42Å; S516-M519 PolarHBondContact O-N 3.44Å; S516-D520 WeakPolarHBondContact O-CB 3.4Å; S516-D520 VanDerWaalsContact O-CG 3.25Å; S516-D520 PolarHBondContact O-N 2.89Å
517	A	96.9	Very high	97.1	Very high	3 Å²	3	22 Å²	22	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-41.8	176.8	0	0	0	0	0	112.5	R513 F514 S521 V622	R513-A517 PolarHBondContact O-N 3.17Å; R513-A517 VanDerWaalsContact O-N 3.17Å; F514-A517 PolarHBondContact O-N 2.98Å; A517-S521 WeakPolarHBondContact O-CB 3.43Å; A517-S521 PolarHBondContact O-N 2.99Å; A517-V622 HydrophobicContact CB-CG1 4.22Å
518	Y	97.9	Very high	97	Very high	21 Å²	21	30 Å²	30	8%	0.082	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-54	175.4	-174.2	-107.6	0	0	0	111.6	F296 W302 F514 F515 S516 D520 S521 L522 A540	F296-Y518 HydrophobicContact CZ-CE2 4.17Å; W302-Y518 HydrophobicContact CD2-CD2 4.12Å; W302-Y518 HydrophobicContact CD2-CE2 4.19Å; W302-Y518 AromaticContact CE2-CD2 3.83Å; W302-Y518 HydrophobicContact CE3-CD2 4.04Å; W302-Y518 HydrophobicContact CE3-CE2 4.43Å; W302-Y518 AromaticContact CH2-CD2 3.57Å; W302-Y518 HydrophobicContact CH2-CD2 3.57Å; W302-Y518 HydrophobicContact CH2-CG 4.35Å; W302-Y518 AromaticContact CZ2-CD2 3.58Å; W302-Y518 HydrophobicContact CZ2-CD2 3.58Å; W302-Y518 HydrophobicContact CZ2-CE2 4.2Å; W302-Y518 AromaticContact CZ3-CD2 3.79Å; W302-Y518 HydrophobicContact CZ3-CD2 3.79Å; F514-Y518 PolarHBondContact O-N 3.34Å; F515-Y518 PolarHBondContact O-N 3.47Å; S516-Y518 VanDerWaalsContact C-N 3.32Å; S516-Y518 PolarHBondContact O-N 3.42Å; Y518-D520 VanDerWaalsContact C-N 3.34Å; Y518-D520 PolarHBondContact O-N 3.34Å; Y518-S521 PolarHBondContact O-N 3.45Å; Y518-S521 PolarHBondContact O-OG 3.08Å; Y518-L522 HydrophobicContact CD1-CD1 3.96Å; Y518-L522 HydrophobicContact CD1-CG 4.44Å; Y518-L522 HydrophobicContact CE1-CD1 3.46Å; Y518-L522 VanDerWaalsContact CE1-CD1 3.46Å; Y518-L522 HydrophobicContact CE1-CG 4.18Å; Y518-L522 WeakPolarHBondContact O-CG 3.49Å; Y518-L522 PolarHBondContact O-N 3.47Å; Y518-A540 HydrophobicContact CD1-CB 3.89Å; Y518-A540 HydrophobicContact CE1-CB 3.78Å
519	M	97.6	Very high	96.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-38	-178.6	-66.2	-67.9	-173.7	0	0	112.2	V249 L253 Y256 F515 S516 L522 E523 E537 A540	V249-M519 HydrophobicContact CG1-CB 3.61Å; L253-M519 HydrophobicContact CD2-CG 4.05Å; Y256-M519 HydrophobicContact CD2-CE 3.64Å; Y256-M519 HydrophobicContact CE2-CE 3.7Å; F515-M519 WeakPolarHBondContact O-CB 3.5Å; F515-M519 WeakPolarHBondContact O-CG 3.46Å; F515-M519 PolarHBondContact O-N 3.02Å; S516-M519 PolarHBondContact O-N 3.44Å; M519-L522 PolarHBondContact O-N 2.91Å; M519-E523 PolarHBondContact O-N 3.46Å; M519-E537 HydrophobicContact CE-CB 4.35Å; M519-E537 HydrophobicContact SD-CB 4.25Å; M519-E537 HydrophobicContact SD-CG 3.82Å; M519-A540 HydrophobicContact CE-CB 3.81Å
520	D	96.9	Very high	96.7	Very high	29 Å²	29	32.1 Å²	32.1	16%	0.155	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-46.6	173.6	-74.7	-13.2	0	0	0	111.8	R211 V249 S516 Y518 L522 E523 E524	R211-D520 IonicContact CZ-OD1 3.55Å; R211-D520 IonicContact CZ-OD2 3.43Å; R211-D520 IonicContact NH1-OD1 3.65Å; R211-D520 IonicContact NH2-OD1 3.46Å; R211-D520 PolarHBondContact NH2-OD1 2.77Å; R211-D520 IonicContact NH2-OD2 3.79Å; R211-D520 PolarHBondContact NH2-OD2 2.9Å; V249-D520 WeakPolarHBondContact CG1-OD1 3.4Å; S516-D520 WeakPolarHBondContact O-CB 3.4Å; S516-D520 VanDerWaalsContact O-CG 3.25Å; S516-D520 PolarHBondContact O-N 2.89Å; Y518-D520 VanDerWaalsContact C-N 3.34Å; Y518-D520 PolarHBondContact O-N 3.34Å; D520-L522 PolarHBondContact O-N 2.93Å; D520-E523 PolarHBondContact O-N 3.4Å; D520-E524 WeakPolarHBondContact O-CB 3.32Å; D520-E524 PolarHBondContact O-N 3.04Å
521	S	97.1	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-33.8	176.9	82.3	0	0	0	0	112.1	A517 Y518 S525	A517-S521 WeakPolarHBondContact O-CB 3.43Å; A517-S521 PolarHBondContact O-N 2.99Å; Y518-S521 PolarHBondContact O-N 3.45Å; Y518-S521 PolarHBondContact O-OG 3.08Å; S521-S525 WeakPolarHBondContact O-CB 3.46Å; S521-S525 PolarHBondContact O-N 2.98Å; S521-S525 PolarHBondContact O-OG 2.91Å
522	L	97.4	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.9	-45.5	175.2	-69.1	-172.6	0	0	0	112.5	F296 Y518 M519 D520 E524 S525 F526 R533 L536 E537	F296-L522 HydrophobicContact CD2-CD2 4.34Å; F296-L522 HydrophobicContact CE2-CD2 3.81Å; Y518-L522 HydrophobicContact CD1-CD1 3.96Å; Y518-L522 HydrophobicContact CD1-CG 4.44Å; Y518-L522 HydrophobicContact CE1-CD1 3.46Å; Y518-L522 VanDerWaalsContact CE1-CD1 3.46Å; Y518-L522 HydrophobicContact CE1-CG 4.18Å; Y518-L522 WeakPolarHBondContact O-CG 3.49Å; Y518-L522 PolarHBondContact O-N 3.47Å; M519-L522 PolarHBondContact O-N 2.91Å; D520-L522 PolarHBondContact O-N 2.93Å; L522-E524 VanDerWaalsContact C-N 3.28Å; L522-E524 PolarHBondContact O-N 3.45Å; L522-S525 PolarHBondContact O-N 3.31Å; L522-F526 HydrophobicContact CD2-CD2 3.98Å; L522-F526 HydrophobicContact CD2-CE2 3.54Å; L522-F526 HydrophobicContact CD2-CZ 4.43Å; L522-F526 WeakPolarHBondContact O-CB 3.4Å; L522-F526 WeakPolarHBondContact O-CD2 3.34Å; L522-F526 PolarHBondContact O-N 3.29Å; L522-R533 HydrophobicContact CB-CG 4.08Å; L522-L536 HydrophobicContact CD1-CB 3.81Å; L522-L536 HydrophobicContact CD2-CB 4.48Å; L522-L536 HydrophobicContact CD2-CD1 3.8Å; L522-E537 HydrophobicContact CD1-CG 4.02Å
523	E	96.4	Very high	96.5	Very high	51 Å²	51	36.7 Å²	36.7	24%	0.238	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-36.8	178.9	-167.7	65.2	-131.4	0	0	111.3	V249 K252 M519 D520 R533	V249-E523 HydrophobicContact CG2-CB 3.71Å; V249-E523 HydrophobicContact CG2-CG 3.85Å; K252-E523 IonicContact NZ-OE2 2.74Å; K252-E523 PolarHBondContact NZ-OE2 3.27Å; M519-E523 PolarHBondContact O-N 3.46Å; D520-E523 PolarHBondContact O-N 3.4Å; E523-R533 IonicContact OE1-CZ 3.96Å; E523-R533 IonicContact OE1-NH1 2.87Å; E523-R533 PolarHBondContact OE1-NH1 3.03Å; E523-R533 IonicContact OE2-CZ 3.68Å; E523-R533 VanDerWaalsContact OE2-CZ 3.26Å; E523-R533 IonicContact OE2-NE 2.81Å; E523-R533 IonicContact OE2-NH1 2.71Å; E523-R533 PolarHBondContact OE2-NH1 3.11Å; E523-R533 IonicContact OE2-NH2 2.73Å
524	E	96.1	Very high	96.5	Very high	72 Å²	72	34.6 Å²	34.6	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-83.2	-21.6	177.6	-72.3	179.8	-117.1	0	0	114.2	D520 L522 R595 W617 K618	D520-E524 WeakPolarHBondContact O-CB 3.32Å; D520-E524 PolarHBondContact O-N 3.04Å; L522-E524 VanDerWaalsContact C-N 3.28Å; L522-E524 PolarHBondContact O-N 3.45Å; E524-R595 WeakPolarHBondContact O-CD 3.3Å; E524-R595 PolarHBondContact O-NH1 3.07Å; E524-W617 HydrophobicContact CB-CH2 4.04Å; E524-W617 HydrophobicContact CB-CZ2 3.92Å; E524-W617 HydrophobicContact CG-CZ2 4.36Å; E524-K618 IonicContact OE1-NZ 2.72Å; E524-K618 PolarHBondContact OE1-NZ 2.9Å; E524-K618 WeakPolarHBondContact OE2-CE 3.47Å; E524-K618 IonicContact OE2-NZ 3.78Å; E524-K618 PolarHBondContact OE2-NZ 3.37Å
525	S	95.4	Very high	96.4	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-89.8	-34.2	177.9	-59.6	0	0	0	0	113.4	L299 S521 L522	L299-S525 WeakPolarHBondContact O-CB 3.45Å; S521-S525 WeakPolarHBondContact O-CB 3.46Å; S521-S525 PolarHBondContact O-N 2.98Å; S521-S525 PolarHBondContact O-OG 2.91Å; L522-S525 PolarHBondContact O-N 3.31Å
526	F	96.6	Very high	96.3	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	21%	0.208	C	C	.	.	S	Bend	trans	-104.5	152.9	-169.6	-75.4	-105.1	0	0	0	114.3	R295 F296 L299 L522 E532 R533 L536	R295-F526 HydrophobicContact CG-CE1 4.04Å; F296-F526 HydrophobicContact CB-CZ 4.18Å; F296-F526 AromaticContact CD2-CE2 3.88Å; F296-F526 HydrophobicContact CD2-CE2 3.88Å; F296-F526 AromaticContact CD2-CZ 3.87Å; F296-F526 HydrophobicContact CD2-CZ 3.87Å; F296-F526 HydrophobicContact CE2-CE2 4.46Å; F296-F526 HydrophobicContact CG-CZ 4.41Å; L299-F526 HydrophobicContact CB-CE2 4.5Å; L299-F526 HydrophobicContact CD1-CB 4.47Å; L299-F526 HydrophobicContact CD1-CD1 3.66Å; L299-F526 HydrophobicContact CD1-CD2 4.49Å; L299-F526 HydrophobicContact CD1-CE1 4.01Å; L299-F526 HydrophobicContact CD1-CG 3.94Å; L522-F526 HydrophobicContact CD2-CD2 3.98Å; L522-F526 HydrophobicContact CD2-CE2 3.54Å; L522-F526 HydrophobicContact CD2-CZ 4.43Å; L522-F526 WeakPolarHBondContact O-CB 3.4Å; L522-F526 WeakPolarHBondContact O-CD2 3.34Å; L522-F526 PolarHBondContact O-N 3.29Å; F526-E532 HydrophobicContact CE1-CB 4.04Å; F526-R533 HydrophobicContact CB-CB 3.85Å; F526-R533 HydrophobicContact CB-CG 3.84Å; F526-R533 HydrophobicContact CD1-CB 3.84Å; F526-R533 HydrophobicContact CD1-CG 4.45Å; F526-R533 HydrophobicContact CD2-CG 4.27Å; F526-R533 HydrophobicContact CE1-CB 4.47Å; F526-R533 HydrophobicContact CG-CB 3.85Å; F526-R533 HydrophobicContact CG-CG 3.97Å; F526-L536 HydrophobicContact CE1-CD1 4.32Å; F526-L536 HydrophobicContact CE2-CD1 3.99Å; F526-L536 HydrophobicContact CZ-CD1 3.52Å
527	P	95.6	Very high	96.4	Very high	67 Å²	67	36.7 Å²	36.7	44%	0.435	20%	0.204	S	C	.	.			trans	-59.7	143.8	165.9	-21	32.8	0	0	0	112.1	A529 S530	P527-A529 PolarHBondContact O-N 2.9Å; P527-S530 WeakPolarHBondContact O-CB 3.43Å; P527-S530 PolarHBondContact O-N 3.2Å; P527-S530 VanDerWaalsContact O-N 3.08Å
528	K	93.3	Very high	96.3	Very high	177 Å²	177	41.7 Å²	41.7	77%	0.77	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.5	-177.1	-68.5	-169	174.3	-169	0	114.9	R533	K528-R533 PolarHBondContact O-NH2 3.38Å; K528-R533 VanDerWaalsContact O-NH2 3.11Å
529	A	93.6	Very high	96.2	Very high	99 Å²	99	42.4 Å²	42.4	82%	0.818	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	38.3	-178.7	0	0	0	0	0	112.9	P527	P527-A529 PolarHBondContact O-N 2.9Å
530	S	96.7	Very high	96.2	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.084	23%	0.234	C	C	.	.			trans	-86.3	123.1	175.9	171.2	0	0	0	0	112	P527 E532 R533 L534	P527-S530 WeakPolarHBondContact O-CB 3.43Å; P527-S530 PolarHBondContact O-N 3.2Å; P527-S530 VanDerWaalsContact O-N 3.08Å; S530-E532 VanDerWaalsContact C-N 3.26Å; S530-E532 PolarHBondContact O-N 2.74Å; S530-E532 PolarHBondContact OG-N 3.26Å; S530-E532 PolarHBondContact OG-OE2 3.16Å; S530-R533 PolarHBondContact O-N 3.33Å; S530-R533 PolarHBondContact OG-N 3.47Å; S530-R533 VanDerWaalsContact OG-N 3.09Å; S530-L534 PolarHBondContact O-N 2.77Å; S530-L534 VanDerWaalsContact O-N 3.15Å
531	N	95.7	Very high	96.2	Very high	97 Å²	97	41.3 Å²	41.3	52%	0.519	23%	0.228	S	C	.	.	H	α-helix	trans	-67.4	-29.4	171.9	-72	-58	0	0	0	112	L534 A535	N531-L534 PolarHBondContact O-N 2.88Å; N531-A535 WeakPolarHBondContact O-CB 3.14Å; N531-A535 PolarHBondContact O-N 3.49Å
532	E	96.2	Very high	96.2	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-42.1	176.1	-56.5	71.7	-155.3	0	0	110.4	R291 T292 R295 F526 S530 A535 L536	R291-E532 WeakPolarHBondContact CD-OE1 3.47Å; R291-E532 HydrophobicContact CG-CG 4.11Å; T292-E532 HydrophobicContact CG2-CB 4.48Å; R295-E532 HydrophobicContact CB-CB 4.17Å; R295-E532 HydrophobicContact CB-CG 3.89Å; R295-E532 HydrophobicContact CG-CB 4.19Å; R295-E532 HydrophobicContact CG-CG 4.04Å; F526-E532 HydrophobicContact CE1-CB 4.04Å; S530-E532 VanDerWaalsContact C-N 3.26Å; S530-E532 PolarHBondContact O-N 2.74Å; S530-E532 PolarHBondContact OG-N 3.26Å; S530-E532 PolarHBondContact OG-OE2 3.16Å; E532-A535 PolarHBondContact O-N 2.55Å; E532-L536 WeakPolarHBondContact O-CG 3.19Å; E532-L536 PolarHBondContact O-N 3.43Å; E532-L536 VanDerWaalsContact O-N 3.14Å
533	R	97.3	Very high	96.1	Very high	18 Å²	18	44.5 Å²	44.5	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-58.2	-50.2	170.5	-163.1	-172.5	74.6	-172.1	-0.1	110.7	L522 E523 F526 K528 S530 A535 L536 E537	L522-R533 HydrophobicContact CB-CG 4.08Å; E523-R533 IonicContact OE1-CZ 3.96Å; E523-R533 IonicContact OE1-NH1 2.87Å; E523-R533 PolarHBondContact OE1-NH1 3.03Å; E523-R533 IonicContact OE2-CZ 3.68Å; E523-R533 VanDerWaalsContact OE2-CZ 3.26Å; E523-R533 IonicContact OE2-NE 2.81Å; E523-R533 IonicContact OE2-NH1 2.71Å; E523-R533 PolarHBondContact OE2-NH1 3.11Å; E523-R533 IonicContact OE2-NH2 2.73Å; F526-R533 HydrophobicContact CB-CB 3.85Å; F526-R533 HydrophobicContact CB-CG 3.84Å; F526-R533 HydrophobicContact CD1-CB 3.84Å; F526-R533 HydrophobicContact CD1-CG 4.45Å; F526-R533 HydrophobicContact CD2-CG 4.27Å; F526-R533 HydrophobicContact CE1-CB 4.47Å; F526-R533 HydrophobicContact CG-CB 3.85Å; F526-R533 HydrophobicContact CG-CG 3.97Å; K528-R533 PolarHBondContact O-NH2 3.38Å; K528-R533 VanDerWaalsContact O-NH2 3.11Å; S530-R533 PolarHBondContact O-N 3.33Å; S530-R533 PolarHBondContact OG-N 3.47Å; S530-R533 VanDerWaalsContact OG-N 3.09Å; R533-A535 VanDerWaalsContact C-N 3.26Å; R533-A535 PolarHBondContact O-N 3.21Å; R533-L536 WeakPolarHBondContact O-CB 3.11Å; R533-L536 PolarHBondContact O-N 3.46Å; R533-E537 WeakPolarHBondContact CD-OE1 3.26Å; R533-E537 HydrophobicContact CG-CG 4.29Å; R533-E537 IonicContact CZ-OE1 2.71Å; R533-E537 IonicContact NE-OE1 2.77Å; R533-E537 PolarHBondContact NE-OE1 3.09Å; R533-E537 IonicContact NE-OE2 2.97Å; R533-E537 IonicContact NH2-OE1 2.61Å; R533-E537 VanDerWaalsContact O-CG 3.29Å; R533-E537 WeakPolarHBondContact O-CG 3.31Å; R533-E537 PolarHBondContact O-N 2.85Å
534	L	96.8	Very high	96.2	Very high	23 Å²	23	42.1 Å²	42.1	12%	0.12	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-34.1	178.7	-177.5	60.8	0	0	0	112.9	Y246 S530 N531 E537 R538	Y246-L534 HydrophobicContact CD1-CD1 4.36Å; Y246-L534 HydrophobicContact CE1-CD1 4.1Å; Y246-L534 HydrophobicContact CE1-CD2 4.39Å; S530-L534 PolarHBondContact O-N 2.77Å; S530-L534 VanDerWaalsContact O-N 3.15Å; N531-L534 PolarHBondContact O-N 2.88Å; L534-E537 WeakPolarHBondContact CA-OE2 3.02Å; L534-R538 HydrophobicContact CD1-CG 4.25Å; L534-R538 VanDerWaalsContact O-CB 3.31Å; L534-R538 WeakPolarHBondContact O-CB 3.42Å; L534-R538 VanDerWaalsContact O-CG 3.24Å; L534-R538 WeakPolarHBondContact O-CG 3.46Å; L534-R538 PolarHBondContact O-N 3.13Å
535	A	95.4	Very high	96.3	Very high	40 Å²	40	38.7 Å²	38.7	33%	0.331	21%	0.214	S	C	.	.	H	α-helix	trans	-67.1	-38.3	174.8	0	0	0	0	0	112.5	T292 N531 E532 R533 A539	T292-A535 HydrophobicContact CG2-CB 4.07Å; N531-A535 WeakPolarHBondContact O-CB 3.14Å; N531-A535 PolarHBondContact O-N 3.49Å; E532-A535 PolarHBondContact O-N 2.55Å; R533-A535 VanDerWaalsContact C-N 3.26Å; R533-A535 PolarHBondContact O-N 3.21Å; A535-A539 PolarHBondContact O-N 3Å; A535-A539 VanDerWaalsContact O-N 3.11Å
536	L	96.7	Very high	96.2	Very high	20 Å²	20	38.9 Å²	38.9	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-70.5	-44.7	174.5	-64.7	169.9	0	0	0	111.6	T292 F296 L522 F526 E532 R533 R538 A539 A540	T292-L536 HydrophobicContact CG2-CD2 4.09Å; T292-L536 HydrophobicContact CG2-CG 4.11Å; F296-L536 HydrophobicContact CB-CD1 4.04Å; F296-L536 HydrophobicContact CD1-CD1 4.12Å; F296-L536 HydrophobicContact CD1-CD2 3.95Å; F296-L536 HydrophobicContact CD2-CD1 3.71Å; F296-L536 HydrophobicContact CE1-CD2 4.21Å; F296-L536 HydrophobicContact CE2-CD1 4.14Å; F296-L536 HydrophobicContact CG-CD1 3.7Å; F296-L536 HydrophobicContact CG-CD2 4.34Å; L522-L536 HydrophobicContact CD1-CB 3.81Å; L522-L536 HydrophobicContact CD2-CB 4.48Å; L522-L536 HydrophobicContact CD2-CD1 3.8Å; F526-L536 HydrophobicContact CE1-CD1 4.32Å; F526-L536 HydrophobicContact CE2-CD1 3.99Å; F526-L536 HydrophobicContact CZ-CD1 3.52Å; E532-L536 WeakPolarHBondContact O-CG 3.19Å; E532-L536 PolarHBondContact O-N 3.43Å; E532-L536 VanDerWaalsContact O-N 3.14Å; R533-L536 WeakPolarHBondContact O-CB 3.11Å; R533-L536 PolarHBondContact O-N 3.46Å; L536-R538 VanDerWaalsContact C-N 3.34Å; L536-R538 PolarHBondContact O-N 2.84Å; L536-A539 WeakPolarHBondContact O-CA 3.43Å; L536-A539 WeakPolarHBondContact O-CB 3.5Å; L536-A539 PolarHBondContact O-N 2.87Å; L536-A540 PolarHBondContact O-N 3.13Å
537	E	98	Very high	96.2	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-44.8	175.2	-68.1	168.3	159.2	0	0	111.1	K252 Y256 M519 L522 R533 L534 A539 A540 G541	K252-E537 WeakPolarHBondContact CE-OE1 3.36Å; K252-E537 IonicContact NZ-OE1 2.74Å; K252-E537 PolarHBondContact NZ-OE1 3.24Å; K252-E537 IonicContact NZ-OE2 3.18Å; Y256-E537 HydrophobicContact CE2-CB 4.34Å; M519-E537 HydrophobicContact CE-CB 4.35Å; M519-E537 HydrophobicContact SD-CB 4.25Å; M519-E537 HydrophobicContact SD-CG 3.82Å; L522-E537 HydrophobicContact CD1-CG 4.02Å; R533-E537 WeakPolarHBondContact CD-OE1 3.26Å; R533-E537 HydrophobicContact CG-CG 4.29Å; R533-E537 IonicContact CZ-OE1 2.71Å; R533-E537 IonicContact NE-OE1 2.77Å; R533-E537 PolarHBondContact NE-OE1 3.09Å; R533-E537 IonicContact NE-OE2 2.97Å; R533-E537 IonicContact NH2-OE1 2.61Å; R533-E537 VanDerWaalsContact O-CG 3.29Å; R533-E537 WeakPolarHBondContact O-CG 3.31Å; R533-E537 PolarHBondContact O-N 2.85Å; L534-E537 WeakPolarHBondContact CA-OE2 3.02Å; E537-A539 VanDerWaalsContact C-N 3.31Å; E537-A539 PolarHBondContact O-N 3.29Å; E537-A540 PolarHBondContact O-N 3.02Å; E537-G541 PolarHBondContact O-N 3.25Å
538	R	96.6	Very high	96.2	Very high	108 Å²	108	35.8 Å²	35.8	41%	0.408	20%	0.195	S	C	.	.	H	α-helix	trans	-67.3	-27.6	174.5	-73.6	172.5	173.1	178.4	-2.6	113.3	Y246 L534 L536 R542	Y246-R538 PolarHBondContact OH-NH2 3.26Å; L534-R538 HydrophobicContact CD1-CG 4.25Å; L534-R538 VanDerWaalsContact O-CB 3.31Å; L534-R538 WeakPolarHBondContact O-CB 3.42Å; L534-R538 VanDerWaalsContact O-CG 3.24Å; L534-R538 WeakPolarHBondContact O-CG 3.46Å; L534-R538 PolarHBondContact O-N 3.13Å; L536-R538 VanDerWaalsContact C-N 3.34Å; L536-R538 PolarHBondContact O-N 2.84Å; R538-R542 PolarHBondContact O-N 3.22Å; R538-R542 PolarHBondContact O-NH1 3.44Å
539	A	95.3	Very high	96.3	Very high	36 Å²	36	28.1 Å²	28.1	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-71.4	-44.1	172.6	0	0	0	0	0	111.4	A535 L536 E537 G541 R542 A543	A535-A539 PolarHBondContact O-N 3Å; A535-A539 VanDerWaalsContact O-N 3.11Å; L536-A539 WeakPolarHBondContact O-CA 3.43Å; L536-A539 WeakPolarHBondContact O-CB 3.5Å; L536-A539 PolarHBondContact O-N 2.87Å; E537-A539 VanDerWaalsContact C-N 3.31Å; E537-A539 PolarHBondContact O-N 3.29Å; A539-G541 VanDerWaalsContact C-N 3.32Å; A539-G541 PolarHBondContact O-N 2.94Å; A539-R542 PolarHBondContact O-N 3.39Å; A539-A543 PolarHBondContact O-N 3.17Å; A539-A543 VanDerWaalsContact O-N 3.14Å
540	A	97.3	Very high	96.3	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-40.8	171.1	0	0	0	0	0	111.9	F515 Y518 M519 L536 E537 R542 A543 I544	F515-A540 HydrophobicContact CD1-CB 3.83Å; F515-A540 HydrophobicContact CE1-CB 3.86Å; Y518-A540 HydrophobicContact CD1-CB 3.89Å; Y518-A540 HydrophobicContact CE1-CB 3.78Å; M519-A540 HydrophobicContact CE-CB 3.81Å; L536-A540 PolarHBondContact O-N 3.13Å; E537-A540 PolarHBondContact O-N 3.02Å; A540-R542 VanDerWaalsContact C-N 3.35Å; A540-R542 PolarHBondContact O-N 2.88Å; A540-A543 CarbonylContact O-C 3.57Å; A540-A543 WeakPolarHBondContact O-CA 3.36Å; A540-A543 WeakPolarHBondContact O-CB 3.4Å; A540-A543 PolarHBondContact O-N 3.14Å; A540-I544 WeakPolarHBondContact O-CG1 3.43Å; A540-I544 PolarHBondContact O-N 3.03Å
541	G	97.7	Very high	95.9	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-55.8	-43.9	173.8	0	0	0	0	0	113.7	E537 A539 A543 I544 V545	E537-G541 PolarHBondContact O-N 3.25Å; A539-G541 VanDerWaalsContact C-N 3.32Å; A539-G541 PolarHBondContact O-N 2.94Å; G541-A543 VanDerWaalsContact C-N 3.34Å; G541-A543 PolarHBondContact O-N 2.99Å; G541-I544 PolarHBondContact O-N 3.3Å; G541-V545 WeakPolarHBondContact O-CG2 3.47Å; G541-V545 PolarHBondContact O-N 2.88Å
542	R	96.4	Very high	95.5	Very high	62 Å²	62	23.4 Å²	23.4	23%	0.234	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-39.7	173	-69.6	-171	-56.1	-92.4	5.1	112.3	L273 L276 S280 R538 A539 A540 V545 D546	L273-R542 HydrophobicContact CD1-CB 3.99Å; L273-R542 WeakPolarHBondContact CD1-O 3.49Å; L276-R542 HydrophobicContact CB-CG 3.79Å; L276-R542 HydrophobicContact CD1-CG 4.29Å; S280-R542 PolarHBondContact OG-NH1 2.75Å; R538-R542 PolarHBondContact O-N 3.22Å; R538-R542 PolarHBondContact O-NH1 3.44Å; A539-R542 PolarHBondContact O-N 3.39Å; A540-R542 VanDerWaalsContact C-N 3.35Å; A540-R542 PolarHBondContact O-N 2.88Å; R542-V545 PolarHBondContact O-N 3.34Å; R542-D546 PolarHBondContact O-N 2.91Å
543	A	95.9	Very high	94.9	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-36.8	178	0	0	0	0	0	112.7	F515 A539 A540 G541 D546 L547 E557	F515-A543 HydrophobicContact CE1-CB 4.24Å; F515-A543 HydrophobicContact CZ-CB 3.73Å; A539-A543 PolarHBondContact O-N 3.17Å; A539-A543 VanDerWaalsContact O-N 3.14Å; A540-A543 CarbonylContact O-C 3.57Å; A540-A543 WeakPolarHBondContact O-CA 3.36Å; A540-A543 WeakPolarHBondContact O-CB 3.4Å; A540-A543 PolarHBondContact O-N 3.14Å; G541-A543 VanDerWaalsContact C-N 3.34Å; G541-A543 PolarHBondContact O-N 2.99Å; A543-D546 PolarHBondContact O-N 3.02Å; A543-L547 WeakPolarHBondContact O-CB 3.33Å; A543-L547 WeakPolarHBondContact O-CD1 3.5Å; A543-L547 VanDerWaalsContact O-CG 3.31Å; A543-L547 WeakPolarHBondContact O-CG 3.27Å; A543-L547 PolarHBondContact O-N 3.45Å; A543-E557 HydrophobicContact CB-CB 4.25Å; A543-E557 HydrophobicContact CB-CG 3.64Å; A543-E557 WeakPolarHBondContact CB-OE2 3.35Å
544	I	98	Very high	94.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-45	171.9	-68.1	160.9	0	0	0	110.4	F257 F515 A540 G541 D546 L547 V548	F257-I544 HydrophobicContact CB-CG2 4.41Å; F257-I544 HydrophobicContact CD1-CG2 3.78Å; F257-I544 HydrophobicContact CD2-CD1 3.94Å; F257-I544 HydrophobicContact CD2-CG1 4.44Å; F257-I544 HydrophobicContact CD2-CG2 4.01Å; F257-I544 HydrophobicContact CE1-CG2 3.96Å; F257-I544 HydrophobicContact CE2-CD1 3.58Å; F257-I544 HydrophobicContact CE2-CG1 3.92Å; F257-I544 HydrophobicContact CE2-CG2 4.18Å; F257-I544 HydrophobicContact CG-CG2 3.81Å; F257-I544 HydrophobicContact CZ-CD1 4.17Å; F257-I544 HydrophobicContact CZ-CG1 3.99Å; F257-I544 HydrophobicContact CZ-CG2 4.14Å; F515-I544 HydrophobicContact CB-CD1 4.15Å; F515-I544 HydrophobicContact CB-CG1 4.49Å; F515-I544 HydrophobicContact CD1-CD1 4.33Å; F515-I544 HydrophobicContact CD1-CG1 4.31Å; F515-I544 HydrophobicContact CD2-CD1 4.01Å; F515-I544 HydrophobicContact CD2-CG1 3.42Å; F515-I544 VanDerWaalsContact CD2-CG1 3.42Å; F515-I544 HydrophobicContact CE1-CG1 4.45Å; F515-I544 HydrophobicContact CE2-CG1 3.61Å; F515-I544 HydrophobicContact CG-CD1 3.9Å; F515-I544 HydrophobicContact CG-CG1 3.82Å; F515-I544 HydrophobicContact CZ-CG1 4.14Å; A540-I544 WeakPolarHBondContact O-CG1 3.43Å; A540-I544 PolarHBondContact O-N 3.03Å; G541-I544 PolarHBondContact O-N 3.3Å; I544-D546 PolarHBondContact O-N 3.05Å; I544-L547 PolarHBondContact O-N 3.13Å; I544-V548 HydrophobicContact CG2-CG2 4.15Å; I544-V548 VanDerWaalsContact O-CB 3.31Å; I544-V548 WeakPolarHBondContact O-CB 3.37Å; I544-V548 VanDerWaalsContact O-CG2 3.26Å; I544-V548 WeakPolarHBondContact O-CG2 3.43Å; I544-V548 PolarHBondContact O-N 3.23Å
545	V	97.3	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-42.8	175.5	172.8	0	0	0	0	111.7	Q259 T272 L273 L276 G541 R542 A549	Q259-V545 HydrophobicContact CG-CG2 4.09Å; T272-V545 HydrophobicContact CG2-CG1 4.09Å; L273-V545 HydrophobicContact CB-CG1 4.31Å; L276-V545 HydrophobicContact CD1-CG2 4.21Å; G541-V545 WeakPolarHBondContact O-CG2 3.47Å; G541-V545 PolarHBondContact O-N 2.88Å; R542-V545 PolarHBondContact O-N 3.34Å; V545-A549 WeakPolarHBondContact O-CA 3.45Å; V545-A549 VanDerWaalsContact O-CB 3.27Å; V545-A549 WeakPolarHBondContact O-CB 3.25Å; V545-A549 PolarHBondContact O-N 3.09Å
546	D	94.6	Very high	93.3	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-51.4	175.1	-173.3	53	0	0	0	111.8	L273 R542 A543 I544 V548 C550 S555 V556 E557	L273-D546 HydrophobicContact CD2-CB 3.9Å; R542-D546 PolarHBondContact O-N 2.91Å; A543-D546 PolarHBondContact O-N 3.02Å; I544-D546 PolarHBondContact O-N 3.05Å; D546-V548 PolarHBondContact O-N 3.1Å; D546-C550 VanDerWaalsContact O-CB 3.28Å; D546-C550 WeakPolarHBondContact O-CB 3.45Å; D546-C550 PolarHBondContact O-N 3.34Å; D546-C550 VanDerWaalsContact O-N 3.1Å; D546-C550 WeakPolarHBondContact OD1-CB 3.41Å; D546-S555 WeakPolarHBondContact OD2-CA 3.33Å; D546-S555 VanDerWaalsContact OD2-CB 3.28Å; D546-S555 WeakPolarHBondContact OD2-CB 3.36Å; D546-S555 PolarHBondContact OD2-OG 2.94Å; D546-V556 PolarHBondContact OD2-N 3.07Å; D546-V556 VanDerWaalsContact OD2-N 3.14Å; D546-E557 HydrophobicContact CB-CG 4.33Å; D546-E557 PolarHBondContact OD2-N 3.47Å
547	L	94.9	Very high	93.1	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-36.6	-175.9	-72.3	162.4	0	0	0	113.9	L484 V507 F515 A543 I544 E557 R558	L484-L547 HydrophobicContact CB-CD2 4.17Å; L484-L547 HydrophobicContact CD1-CD1 3.76Å; L484-L547 HydrophobicContact CD1-CD2 4.02Å; V507-L547 HydrophobicContact CG1-CD2 4.45Å; F515-L547 HydrophobicContact CE2-CD1 3.66Å; F515-L547 HydrophobicContact CZ-CD1 4.1Å; A543-L547 WeakPolarHBondContact O-CB 3.33Å; A543-L547 WeakPolarHBondContact O-CD1 3.5Å; A543-L547 VanDerWaalsContact O-CG 3.31Å; A543-L547 WeakPolarHBondContact O-CG 3.27Å; A543-L547 PolarHBondContact O-N 3.45Å; I544-L547 PolarHBondContact O-N 3.13Å; L547-E557 HydrophobicContact CD1-CB 4.12Å; L547-E557 HydrophobicContact CD2-CB 4.2Å; L547-E557 HydrophobicContact CG-CB 3.93Å; L547-R558 HydrophobicContact CD2-CG 3.63Å; L547-R558 PolarHBondContact O-NH2 2.84Å
548	V	96.9	Very high	92.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-88.1	-37.7	-175.7	178	0	0	0	0	112.1	F257 G260 L261 R264 F504 F508 I544 D546	F257-V548 HydrophobicContact CD1-CG2 4.22Å; F257-V548 HydrophobicContact CE1-CG2 4.34Å; G260-V548 VanDerWaalsContact C-CG1 3.45Å; L261-V548 HydrophobicContact CD2-CG1 4.13Å; L261-V548 HydrophobicContact CG-CG1 4.31Å; R264-V548 VanDerWaalsContact CD-O 3.31Å; R264-V548 WeakPolarHBondContact CD-O 3.13Å; R264-V548 PolarHBondContact NH1-O 3.45Å; F504-V548 HydrophobicContact CE2-CG1 4.23Å; F508-V548 HydrophobicContact CD2-CG1 4.39Å; F508-V548 HydrophobicContact CD2-CG2 4.04Å; F508-V548 HydrophobicContact CE2-CG1 4.4Å; F508-V548 HydrophobicContact CE2-CG2 4.23Å; I544-V548 HydrophobicContact CG2-CG2 4.15Å; I544-V548 VanDerWaalsContact O-CB 3.31Å; I544-V548 WeakPolarHBondContact O-CB 3.37Å; I544-V548 VanDerWaalsContact O-CG2 3.26Å; I544-V548 WeakPolarHBondContact O-CG2 3.43Å; I544-V548 PolarHBondContact O-N 3.23Å; D546-V548 PolarHBondContact O-N 3.1Å
549	A	95.7	Very high	92.7	Very high	15 Å²	15	26.6 Å²	26.6	12%	0.124	16%	0.156	C	C	.	.	H	α-helix	trans	-116.2	-19	-167.4	0	0	0	0	0	116.1	A263 R264 V545	A263-A549 HydrophobicContact CB-CB 3.75Å; R264-A549 HydrophobicContact CB-CB 4.1Å; V545-A549 WeakPolarHBondContact O-CA 3.45Å; V545-A549 VanDerWaalsContact O-CB 3.27Å; V545-A549 WeakPolarHBondContact O-CB 3.25Å; V545-A549 PolarHBondContact O-N 3.09Å
550	C	92.2	Very high	92.6	Very high	11 Å²	11	25.1 Å²	25.1	7%	0.074	14%	0.142	C	C	.	.	S	Bend	trans	-91.2	156.3	179.6	-65.5	0	0	0	0	112.4	D546 A552	D546-C550 VanDerWaalsContact O-CB 3.28Å; D546-C550 WeakPolarHBondContact O-CB 3.45Å; D546-C550 PolarHBondContact O-N 3.34Å; D546-C550 VanDerWaalsContact O-N 3.1Å; D546-C550 WeakPolarHBondContact OD1-CB 3.41Å; C550-A552 PolarHBondContact O-N 2.99Å
551	P	88.7	Confident	92.5	Very high	53 Å²	53	26.7 Å²	26.7	34%	0.344	15%	0.152	S	C	.	.			trans	-56.2	134.6	172.5	-24.1	34.6	0	0	0	111.7	S553 E554 S555	P551-S553 PolarHBondContact O-N 2.73Å; P551-E554 HydrophobicContact CB-CB 4.43Å; P551-E554 HydrophobicContact CB-CG 4.36Å; P551-E554 PolarHBondContact O-N 2.96Å; P551-S555 PolarHBondContact O-N 2.83Å
552	A	87.2	Confident	92.3	Very high	46 Å²	46	26.6 Å²	26.6	38%	0.38	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.1	-177.2	0	0	0	0	0	113.2	P454 C550 E554	P454-A552 WeakPolarHBondContact CG-O 3.28Å; C550-A552 PolarHBondContact O-N 2.99Å; A552-E554 VanDerWaalsContact C-N 3.33Å
553	S	83	Confident	92.2	Very high	54 Å²	54	24.9 Å²	24.9	38%	0.378	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.2	176.5	51.7	0	0	0	0	114.8	P551	P551-S553 PolarHBondContact O-N 2.73Å
554	E	82.2	Confident	92.1	Very high	129 Å²	129	25.2 Å²	25.2	60%	0.603	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-15.7	-178.9	-66.5	178.2	-161.5	0	0	113	P551 A552	P551-E554 HydrophobicContact CB-CB 4.43Å; P551-E554 HydrophobicContact CB-CG 4.36Å; P551-E554 PolarHBondContact O-N 2.96Å; A552-E554 VanDerWaalsContact C-N 3.33Å
555	S	87.6	Confident	91.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.152	C	C	.	.			trans	-68.2	135.8	-175.6	172	0	0	0	0	113	P454 D546 P551 R558	P454-S555 WeakPolarHBondContact CD-O 3.38Å; D546-S555 WeakPolarHBondContact OD2-CA 3.33Å; D546-S555 VanDerWaalsContact OD2-CB 3.28Å; D546-S555 WeakPolarHBondContact OD2-CB 3.36Å; D546-S555 PolarHBondContact OD2-OG 2.94Å; P551-S555 PolarHBondContact O-N 2.83Å; S555-R558 WeakPolarHBondContact OG-CG 3.46Å
556	V	87.5	Confident	91.8	Very high	59 Å²	59	25.3 Å²	25.3	36%	0.358	15%	0.152	S	C	.	.	S	Bend	trans	-107.5	-0.9	-179	-64.1	0	0	0	0	113.3	R450 D546	R450-V556 CarbonylContact C-O 3.57Å; D546-V556 PolarHBondContact OD2-N 3.07Å; D546-V556 VanDerWaalsContact OD2-N 3.14Å
557	E	91.5	Very high	91.8	Very high	37 Å²	37	32 Å²	32	17%	0.173	18%	0.177	C	C	.	.			trans	-101.6	3.2	-178.3	-69.3	-69.7	150.3	0	0	113.3	R450 L484 A543 D546 L547 R559	R450-E557 IonicContact CZ-OE2 2.7Å; R450-E557 IonicContact NE-OE2 3.74Å; R450-E557 IonicContact NH2-OE1 2.65Å; R450-E557 IonicContact NH2-OE2 3.51Å; R450-E557 PolarHBondContact NH2-OE2 2.88Å; L484-E557 WeakPolarHBondContact CD1-O 3.43Å; A543-E557 HydrophobicContact CB-CB 4.25Å; A543-E557 HydrophobicContact CB-CG 3.64Å; A543-E557 WeakPolarHBondContact CB-OE2 3.35Å; D546-E557 HydrophobicContact CB-CG 4.33Å; D546-E557 PolarHBondContact OD2-N 3.47Å; L547-E557 HydrophobicContact CD1-CB 4.12Å; L547-E557 HydrophobicContact CD2-CB 4.2Å; L547-E557 HydrophobicContact CG-CB 3.93Å; E557-R559 VanDerWaalsContact C-N 3.33Å; E557-R559 PolarHBondContact O-N 2.83Å; E557-R559 PolarHBondContact O-NH1 2.83Å; E557-R559 IonicContact OE2-CZ 3.26Å; E557-R559 VanDerWaalsContact OE2-CZ 3.24Å; E557-R559 IonicContact OE2-NH1 3.99Å; E557-R559 PolarHBondContact OE2-NH1 3.33Å; E557-R559 IonicContact OE2-NH2 3.51Å; E557-R559 PolarHBondContact OE2-NH2 3.24Å
558	R	92.5	Very high	91.8	Very high	18 Å²	18	32.6 Å²	32.6	7%	0.068	18%	0.179	C	C	.	.			trans	-77.1	80.1	-178.9	-72.6	176.5	-178.3	-75.9	-3.1	112.1	P454 R460 L484 V485 L547 S555	P454-R558 HydrophobicContact CG-CB 3.99Å; P454-R558 HydrophobicContact CG-CG 4.39Å; R460-R558 VanDerWaalsContact CZ-O 3.29Å; R460-R558 PolarHBondContact NH1-O 2.9Å; R460-R558 PolarHBondContact NH2-O 2.87Å; L484-R558 WeakPolarHBondContact O-CG 3.36Å; L484-R558 PolarHBondContact O-NH1 2.86Å; V485-R558 HydrophobicContact CG2-CB 4.22Å; L547-R558 HydrophobicContact CD2-CG 3.63Å; L547-R558 PolarHBondContact O-NH2 2.84Å; S555-R558 WeakPolarHBondContact OG-CG 3.46Å
559	R	94.2	Very high	91.7	Very high	7 Å²	7	32.5 Å²	32.5	3%	0.026	18%	0.178	C	C	.	.			trans	-55.2	158.5	170.2	-64.4	158.4	-175.7	72.3	-1.3	111.7	E480 A482 L484 E557	E480-R559 HydrophobicContact CB-CG 4.27Å; E480-R559 IonicContact OE2-CZ 3.86Å; E480-R559 IonicContact OE2-NE 3.6Å; E480-R559 PolarHBondContact OE2-NE 2.96Å; E480-R559 IonicContact OE2-NH2 3.17Å; E480-R559 PolarHBondContact OE2-NH2 2.97Å; A482-R559 HydrophobicContact CB-CB 4.16Å; A482-R559 CarbonylContact O-C 3.16Å; A482-R559 WeakPolarHBondContact O-CB 3.4Å; A482-R559 VanDerWaalsContact O-O 3.13Å; L484-R559 HydrophobicContact CD1-CB 4.01Å; L484-R559 HydrophobicContact CD1-CG 4.21Å; L484-R559 HydrophobicContact CG-CB 4.39Å; L484-R559 PolarHBondContact N-O 2.82Å; L484-R559 VanDerWaalsContact N-O 3.15Å; E557-R559 VanDerWaalsContact C-N 3.33Å; E557-R559 PolarHBondContact O-N 2.83Å; E557-R559 PolarHBondContact O-NH1 2.83Å; E557-R559 IonicContact OE2-CZ 3.26Å; E557-R559 VanDerWaalsContact OE2-CZ 3.24Å; E557-R559 IonicContact OE2-NH1 3.99Å; E557-R559 PolarHBondContact OE2-NH1 3.33Å; E557-R559 IonicContact OE2-NH2 3.51Å; E557-R559 PolarHBondContact OE2-NH2 3.24Å
560	E	93.3	Very high	91.8	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.023	19%	0.188	C	C	.	.			trans	-132.4	153.8	170.6	-85.7	179.8	-125.8	0	0	108.4	R460 A482 V485 S564 W565 R568	R460-E560 WeakPolarHBondContact CD-OE1 3.49Å; R460-E560 IonicContact CZ-OE1 3.98Å; R460-E560 IonicContact NE-OE1 3.63Å; R460-E560 IonicContact NH1-OE1 3.48Å; R460-E560 PolarHBondContact NH1-OE1 3.35Å; A482-E560 CarbonylContact O-C 3.5Å; A482-E560 WeakPolarHBondContact O-CA 3.16Å; A482-E560 PolarHBondContact O-N 3.23Å; V485-E560 HydrophobicContact CB-CG 4.26Å; V485-E560 HydrophobicContact CG2-CG 3.65Å; E560-S564 WeakPolarHBondContact OE2-CB 3.39Å; E560-S564 PolarHBondContact OE2-OG 3.46Å; E560-W565 HydrophobicContact CB-CZ2 4.27Å; E560-W565 PolarHBondContact O-NE1 3.32Å; E560-R568 VanDerWaalsContact CD-NH2 3.35Å; E560-R568 IonicContact OE1-CZ 3.91Å; E560-R568 IonicContact OE1-NE 3.59Å; E560-R568 PolarHBondContact OE1-NE 3.03Å; E560-R568 IonicContact OE1-NH2 2.9Å; E560-R568 PolarHBondContact OE1-NH2 3.48Å; E560-R568 IonicContact OE2-CZ 3.81Å; E560-R568 IonicContact OE2-NE 3.72Å; E560-R568 PolarHBondContact OE2-NE 2.65Å; E560-R568 IonicContact OE2-NH2 3.91Å; E560-R568 PolarHBondContact OE2-NH2 2.88Å
561	T	94.6	Very high	92	Very high	38 Å²	38	40.2 Å²	40.2	23%	0.233	22%	0.217	C	C	.	.			trans	-68.3	155.5	177.4	62.4	0	0	0	0	112.4	D481 D483 A563 S564 W565	D481-T561 WeakPolarHBondContact OD1-CA 2.82Å; D483-T561 HydrophobicContact CB-CG2 3.9Å; T561-A563 PolarHBondContact O-N 3.34Å; T561-A563 VanDerWaalsContact O-N 3.16Å; T561-S564 PolarHBondContact O-N 3.35Å; T561-S564 PolarHBondContact OG1-N 3.12Å; T561-W565 PolarHBondContact O-N 3.49Å
562	G	94.8	Very high	92.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.1	-31.8	174.1	0	0	0	0	0	113.2	D481 A566	D481-G562 PolarHBondContact OD1-N 3.39Å; G562-A566 WeakPolarHBondContact O-CB 3.48Å; G562-A566 PolarHBondContact O-N 2.75Å
563	A	94.2	Very high	92.8	Very high	27 Å²	27	38.2 Å²	38.2	22%	0.223	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-42.3	172.4	0	0	0	0	0	112.9	T561 R567 D607 A610	T561-A563 PolarHBondContact O-N 3.34Å; T561-A563 VanDerWaalsContact O-N 3.16Å; A563-R567 PolarHBondContact O-N 2.88Å; A563-R567 VanDerWaalsContact O-N 3.09Å; A563-D607 VanDerWaalsContact CB-O 3.31Å; A563-D607 WeakPolarHBondContact CB-O 3.31Å; A563-A610 HydrophobicContact CB-CB 4.42Å
564	S	92.8	Very high	93.5	Very high	12 Å²	12	36 Å²	36	8%	0.084	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-45.3	178.7	-166.4	0	0	0	0	111.3	E560 T561 A566 R567 R568	E560-S564 WeakPolarHBondContact OE2-CB 3.39Å; E560-S564 PolarHBondContact OE2-OG 3.46Å; T561-S564 PolarHBondContact O-N 3.35Å; T561-S564 PolarHBondContact OG1-N 3.12Å; S564-A566 PolarHBondContact O-N 3.2Å; S564-R567 WeakPolarHBondContact O-CB 3.46Å; S564-R567 PolarHBondContact O-N 3.41Å; S564-R567 PolarHBondContact OG-NH2 3.44Å; S564-R568 WeakPolarHBondContact O-CG 3.48Å; S564-R568 PolarHBondContact O-N 3.02Å
565	W	94.4	Very high	94.2	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.011	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-45.2	173.9	-73.9	121	0	0	0	112.1	L449 R460 E560 T561 R567 R568 M569 W624	L449-W565 HydrophobicContact CB-CE3 4.32Å; L449-W565 HydrophobicContact CB-CH2 3.34Å; L449-W565 HydrophobicContact CB-CZ2 3.65Å; L449-W565 HydrophobicContact CB-CZ3 3.7Å; L449-W565 HydrophobicContact CD1-CD2 4.32Å; L449-W565 HydrophobicContact CD1-CE3 3.89Å; L449-W565 HydrophobicContact CD1-CH2 4.41Å; L449-W565 HydrophobicContact CD1-CZ3 3.96Å; L449-W565 HydrophobicContact CG-CH2 4.49Å; L449-W565 HydrophobicContact CG-CZ3 4.43Å; R460-W565 HydrophobicContact CB-CZ3 4.39Å; R460-W565 HydrophobicContact CG-CH2 4.13Å; R460-W565 HydrophobicContact CG-CZ3 4.48Å; E560-W565 HydrophobicContact CB-CZ2 4.27Å; E560-W565 PolarHBondContact O-NE1 3.32Å; T561-W565 PolarHBondContact O-N 3.49Å; W565-R567 VanDerWaalsContact C-N 3.27Å; W565-R567 PolarHBondContact O-N 3.03Å; W565-R568 WeakPolarHBondContact O-CB 3.44Å; W565-R568 PolarHBondContact O-N 2.96Å; W565-M569 WeakPolarHBondContact O-CG 3.45Å; W565-M569 PolarHBondContact O-N 3.41Å; W565-W624 HydrophobicContact CB-CE3 4.2Å; W565-W624 HydrophobicContact CB-CH2 3.44Å; W565-W624 VanDerWaalsContact CB-CH2 3.44Å; W565-W624 HydrophobicContact CB-CZ2 4.46Å; W565-W624 HydrophobicContact CB-CZ3 3.28Å; W565-W624 AromaticContact CD1-CZ3 3.93Å; W565-W624 HydrophobicContact CG-CE3 4.49Å; W565-W624 HydrophobicContact CG-CH2 4.43Å; W565-W624 AromaticContact CG-CZ3 3.81Å; W565-W624 HydrophobicContact CG-CZ3 3.81Å
566	A	95.3	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-36.1	176.2	0	0	0	0	0	112.8	G562 S564 R570 W624 W628	G562-A566 WeakPolarHBondContact O-CB 3.48Å; G562-A566 PolarHBondContact O-N 2.75Å; S564-A566 PolarHBondContact O-N 3.2Å; A566-R570 VanDerWaalsContact C-NH2 3.3Å; A566-R570 WeakPolarHBondContact O-CG 3.33Å; A566-R570 VanDerWaalsContact O-CZ 3.28Å; A566-R570 PolarHBondContact O-N 3.09Å; A566-R570 PolarHBondContact O-NE 3.14Å; A566-R570 PolarHBondContact O-NH2 2.7Å; A566-W624 HydrophobicContact CB-CZ2 4.29Å; A566-W628 HydrophobicContact CB-CH2 3.73Å; A566-W628 HydrophobicContact CB-CZ2 3.81Å
567	R	94.3	Very high	95.1	Very high	147 Å²	147	34.1 Å²	34.1	56%	0.555	19%	0.193	S	C	*	.	H	α-helix	trans	-63.9	-47.5	170.8	171.9	-179.5	58.7	-162.7	-5.7	111.4	A563 S564 W565 M569 R570 S571	A563-R567 PolarHBondContact O-N 2.88Å; A563-R567 VanDerWaalsContact O-N 3.09Å; S564-R567 WeakPolarHBondContact O-CB 3.46Å; S564-R567 PolarHBondContact O-N 3.41Å; S564-R567 PolarHBondContact OG-NH2 3.44Å; W565-R567 VanDerWaalsContact C-N 3.27Å; W565-R567 PolarHBondContact O-N 3.03Å; R567-M569 PolarHBondContact O-N 3.27Å; R567-R570 PolarHBondContact O-N 3.21Å; R567-S571 WeakPolarHBondContact O-CB 3.43Å; R567-S571 PolarHBondContact O-N 2.71Å; R567-S571 PolarHBondContact O-OG 3.16Å
568	R	94	Very high	95.3	Very high	20 Å²	20	36.6 Å²	36.6	8%	0.075	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-44.9	178.6	-65.2	-179.4	-177.7	-83.2	13.1	112.3	A457 D461 E560 S564 W565 R570 S571 A572	A457-R568 PolarHBondContact O-NH1 3.01Å; D461-R568 WeakPolarHBondContact OD1-CG 3.32Å; D461-R568 IonicContact OD1-CZ 3.85Å; D461-R568 IonicContact OD1-NH1 2.86Å; D461-R568 PolarHBondContact OD1-NH1 3.25Å; D461-R568 IonicContact OD2-NH1 3.76Å; D461-R568 PolarHBondContact OD2-NH1 2.74Å; E560-R568 VanDerWaalsContact CD-NH2 3.35Å; E560-R568 IonicContact OE1-CZ 3.91Å; E560-R568 IonicContact OE1-NE 3.59Å; E560-R568 PolarHBondContact OE1-NE 3.03Å; E560-R568 IonicContact OE1-NH2 2.9Å; E560-R568 PolarHBondContact OE1-NH2 3.48Å; E560-R568 IonicContact OE2-CZ 3.81Å; E560-R568 IonicContact OE2-NE 3.72Å; E560-R568 PolarHBondContact OE2-NE 2.65Å; E560-R568 IonicContact OE2-NH2 3.91Å; E560-R568 PolarHBondContact OE2-NH2 2.88Å; S564-R568 WeakPolarHBondContact O-CG 3.48Å; S564-R568 PolarHBondContact O-N 3.02Å; W565-R568 WeakPolarHBondContact O-CB 3.44Å; W565-R568 PolarHBondContact O-N 2.96Å; R568-R570 PolarHBondContact O-N 3.5Å; R568-S571 PolarHBondContact O-N 3.14Å; R568-A572 WeakPolarHBondContact O-CB 3.38Å; R568-A572 PolarHBondContact O-N 2.87Å
569	M	96.7	Very high	95.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-48.8	175.5	-66.6	-60	-71.9	0	0	111.4	V464 V475 V477 W565 R567 S571 A572 G573 F574 W628	V464-M569 HydrophobicContact CG1-SD 3.41Å; V464-M569 WeakPolarHBondContact CG1-SD 3.35Å; V464-M569 HydrophobicContact CG2-SD 4.45Å; V475-M569 HydrophobicContact CB-CE 4.22Å; V475-M569 HydrophobicContact CG1-CE 4Å; V477-M569 HydrophobicContact CG2-CE 4.28Å; V477-M569 HydrophobicContact CG2-SD 4.36Å; W565-M569 WeakPolarHBondContact O-CG 3.45Å; W565-M569 PolarHBondContact O-N 3.41Å; R567-M569 PolarHBondContact O-N 3.27Å; M569-S571 PolarHBondContact O-N 2.69Å; M569-A572 PolarHBondContact O-N 3.4Å; M569-G573 PolarHBondContact O-N 3.47Å; M569-F574 HydrophobicContact CB-CB 4.29Å; M569-F574 HydrophobicContact CE-CB 4.18Å; M569-F574 HydrophobicContact CE-CD1 4.19Å; M569-F574 HydrophobicContact CE-CD2 3.63Å; M569-F574 HydrophobicContact CE-CE2 3.95Å; M569-F574 HydrophobicContact CE-CG 3.76Å; M569-F574 HydrophobicContact CE-CZ 4.37Å; M569-F574 WeakPolarHBondContact O-CB 3.47Å; M569-F574 PolarHBondContact O-N 3.19Å; M569-F574 HydrophobicContact SD-CD2 4.25Å; M569-W628 HydrophobicContact CB-CD2 3.66Å; M569-W628 HydrophobicContact CB-CE3 3.55Å; M569-W628 HydrophobicContact CB-CG 4.43Å; M569-W628 HydrophobicContact CB-CH2 3.8Å; M569-W628 HydrophobicContact CB-CZ2 3.88Å; M569-W628 HydrophobicContact CB-CZ3 3.63Å; M569-W628 HydrophobicContact CE-CB 3.65Å; M569-W628 HydrophobicContact CE-CD2 3.94Å; M569-W628 HydrophobicContact CE-CG 3.43Å; M569-W628 VanDerWaalsContact CE-CG 3.43Å; M569-W628 HydrophobicContact CG-CD2 3.86Å; M569-W628 HydrophobicContact CG-CE3 4.3Å; M569-W628 HydrophobicContact CG-CG 4.29Å; M569-W628 HydrophobicContact CG-CH2 4.44Å; M569-W628 HydrophobicContact CG-CZ2 4.01Å
570	R	96.9	Very high	95.7	Very high	91 Å²	91	38.3 Å²	38.3	34%	0.343	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-42.7	175.6	-71.9	-179.8	-67.7	-110.3	-3	113	A566 R567 R568 A572 G573 F574 A609 W628	A566-R570 VanDerWaalsContact C-NH2 3.3Å; A566-R570 WeakPolarHBondContact O-CG 3.33Å; A566-R570 VanDerWaalsContact O-CZ 3.28Å; A566-R570 PolarHBondContact O-N 3.09Å; A566-R570 PolarHBondContact O-NE 3.14Å; A566-R570 PolarHBondContact O-NH2 2.7Å; R567-R570 PolarHBondContact O-N 3.21Å; R568-R570 PolarHBondContact O-N 3.5Å; R570-A572 PolarHBondContact O-N 3.13Å; R570-G573 PolarHBondContact O-N 3.38Å; R570-F574 WeakPolarHBondContact CA-O 3.47Å; R570-A609 VanDerWaalsContact CZ-O 3.23Å; R570-A609 PolarHBondContact NH1-O 3.31Å; R570-A609 PolarHBondContact NH2-O 3.29Å; R570-W628 HydrophobicContact CG-CH2 4.4Å; R570-W628 HydrophobicContact CG-CZ3 3.9Å
571	S	95.2	Very high	95.8	Very high	97 Å²	97	44.3 Å²	44.3	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-64.6	-27.7	177.1	-68	0	0	0	0	113.4	R567 R568 M569 G573	R567-S571 WeakPolarHBondContact O-CB 3.43Å; R567-S571 PolarHBondContact O-N 2.71Å; R567-S571 PolarHBondContact O-OG 3.16Å; R568-S571 PolarHBondContact O-N 3.14Å; M569-S571 PolarHBondContact O-N 2.69Å; S571-G573 VanDerWaalsContact C-N 3.27Å
572	A	96.1	Very high	95.9	Very high	19 Å²	19	47.6 Å²	47.6	16%	0.157	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	4.1	172.4	0	0	0	0	0	113.9	V464 A465 R468 R568 M569 R570 F574	V464-A572 HydrophobicContact CB-CB 4.19Å; V464-A572 HydrophobicContact CG1-CB 3.54Å; A465-A572 HydrophobicContact CB-CB 4.38Å; R468-A572 WeakPolarHBondContact CG-O 3.31Å; R568-A572 WeakPolarHBondContact O-CB 3.38Å; R568-A572 PolarHBondContact O-N 2.87Å; M569-A572 PolarHBondContact O-N 3.4Å; R570-A572 PolarHBondContact O-N 3.13Å; A572-F574 HydrophobicContact CB-CD2 4.14Å; A572-F574 HydrophobicContact CB-CE2 4.37Å
573	G	97.1	Very high	96	Very high	38 Å²	38	47.8 Å²	47.8	39%	0.392	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	34.4	179.1	0	0	0	0	0	114.2	R468 M569 R570 S571 P630	R468-G573 PolarHBondContact NE-O 2.92Å; M569-G573 PolarHBondContact O-N 3.47Å; R570-G573 PolarHBondContact O-N 3.38Å; S571-G573 VanDerWaalsContact C-N 3.27Å; G573-P630 VanDerWaalsContact O-OXT 3.07Å
574	F	98	Very high	96.1	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.035	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-101.4	143.4	165.6	-68.4	-84.5	0	0	0	112	V464 L467 R468 P472 V475 M569 R570 A572 W628 R629	V464-F574 HydrophobicContact CG1-CD2 4.21Å; V464-F574 HydrophobicContact CG1-CE2 3.99Å; L467-F574 HydrophobicContact CB-CZ 4.3Å; R468-F574 HydrophobicContact CB-CD2 4.48Å; R468-F574 HydrophobicContact CB-CE1 4.48Å; R468-F574 HydrophobicContact CB-CE2 3.66Å; R468-F574 HydrophobicContact CB-CZ 3.66Å; R468-F574 HydrophobicContact CG-CE2 4.37Å; R468-F574 HydrophobicContact CG-CZ 4.33Å; P472-F574 HydrophobicContact CG-CE1 4.08Å; P472-F574 HydrophobicContact CG-CZ 4.46Å; V475-F574 HydrophobicContact CB-CE1 4.38Å; V475-F574 HydrophobicContact CG2-CD1 4.31Å; V475-F574 HydrophobicContact CG2-CE1 3.5Å; V475-F574 VanDerWaalsContact CG2-CE1 3.5Å; V475-F574 HydrophobicContact CG2-CZ 3.89Å; M569-F574 HydrophobicContact CB-CB 4.29Å; M569-F574 HydrophobicContact CE-CB 4.18Å; M569-F574 HydrophobicContact CE-CD1 4.19Å; M569-F574 HydrophobicContact CE-CD2 3.63Å; M569-F574 HydrophobicContact CE-CE2 3.95Å; M569-F574 HydrophobicContact CE-CG 3.76Å; M569-F574 HydrophobicContact CE-CZ 4.37Å; M569-F574 WeakPolarHBondContact O-CB 3.47Å; M569-F574 PolarHBondContact O-N 3.19Å; M569-F574 HydrophobicContact SD-CD2 4.25Å; R570-F574 WeakPolarHBondContact CA-O 3.47Å; A572-F574 HydrophobicContact CB-CD2 4.14Å; A572-F574 HydrophobicContact CB-CE2 4.37Å; F574-W628 HydrophobicContact CB-CB 4.21Å; F574-W628 HydrophobicContact CB-CE3 3.95Å; F574-W628 HydrophobicContact CD1-CB 4.27Å; F574-W628 HydrophobicContact CG-CB 4.46Å; F574-R629 CarbonylContact C-O 3.6Å; F574-R629 VanDerWaalsContact CA-O 3.28Å; F574-R629 WeakPolarHBondContact CA-O 3.44Å; F574-R629 WeakPolarHBondContact CD1-O 3.49Å
575	S	97.5	Very high	96.4	Very high	40 Å²	40	50.3 Å²	50.3	28%	0.28	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.3	167	58.4	0	0	0	0	110.9	W628 R629 P630	S575-W628 CarbonylContact O-C 3.57Å; S575-W628 WeakPolarHBondContact O-CA 3.32Å; S575-R629 PolarHBondContact N-O 3.43Å; S575-R629 PolarHBondContact O-N 3.42Å; S575-R629 WeakPolarHBondContact OG-CG 3.38Å; S575-R629 PolarHBondContact OG-NE 3.21Å; S575-R629 PolarHBondContact OG-O 2.96Å; S575-P630 PolarHBondContact OG-O 3.09Å
576	P	97.2	Very high	96.5	Very high	61 Å²	61	53.8 Å²	53.8	40%	0.396	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	146	177.3	29.4	-33.7	0	0	0	110.8	A611 W628	P576-A611 HydrophobicContact CB-CB 3.62Å; P576-A611 HydrophobicContact CG-CB 4.36Å; P576-W628 HydrophobicContact CB-CE3 3.99Å; P576-W628 HydrophobicContact CB-CH2 4.03Å; P576-W628 HydrophobicContact CB-CZ3 3.71Å; P576-W628 HydrophobicContact CG-CZ3 4.21Å
577	V	96.7	Very high	96.6	Very high	48 Å²	48	53.8 Å²	53.8	29%	0.291	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.3	173.1	-179.8	0	0	0	0	107.2	A627 R629	V577-A627 HydrophobicContact CB-CB 4.01Å; V577-A627 HydrophobicContact CG1-CB 4.49Å; V577-A627 PolarHBondContact N-O 3.43Å; V577-R629 HydrophobicContact CG2-CB 3.98Å; V577-R629 HydrophobicContact CG2-CG 3.81Å
578	A	95.8	Very high	96.8	Very high	88 Å²	88	50.4 Å²	50.4	73%	0.727	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-69.7	141.1	172.7	0	0	0	0	0	109.6
579	F	97.1	Very high	96.9	Very high	28 Å²	28	51.5 Å²	51.5	12%	0.123	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-67	143.9	167.3	-62.3	-67.5	0	0	0	109.3	A309 A313 V583 M587 V613 T625 A627	A309-F579 HydrophobicContact CB-CE1 4.03Å; A309-F579 HydrophobicContact CB-CZ 3.92Å; A309-F579 WeakPolarHBondContact O-CE1 3.25Å; A313-F579 HydrophobicContact CB-CD1 4.19Å; A313-F579 HydrophobicContact CB-CE1 3.99Å; F579-V583 HydrophobicContact CB-CB 4.31Å; F579-V583 HydrophobicContact CB-CG1 4.14Å; F579-V583 HydrophobicContact CD1-CG1 3.83Å; F579-V583 HydrophobicContact CG-CG1 4.24Å; F579-M587 HydrophobicContact CB-CE 4.47Å; F579-M587 HydrophobicContact CD2-CE 4.24Å; F579-M587 HydrophobicContact CG-CE 4.34Å; F579-V613 HydrophobicContact CD2-CG1 4.49Å; F579-V613 HydrophobicContact CD2-CG2 4.15Å; F579-V613 HydrophobicContact CE2-CG2 4.03Å; F579-T625 HydrophobicContact CE2-CG2 4.06Å; F579-T625 HydrophobicContact CZ-CG2 4.14Å; F579-A627 HydrophobicContact CE1-CB 4.06Å; F579-A627 HydrophobicContact CZ-CB 4.44Å
580	S	96.7	Very high	96.9	Very high	34 Å²	34	51.5 Å²	51.5	24%	0.238	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-68.6	164.2	173.6	66.8	0	0	0	0	111.7	E316 D582 V583 A584	E316-S580 WeakPolarHBondContact OE1-CB 3.16Å; E316-S580 PolarHBondContact OE1-OG 3.39Å; S580-D582 PolarHBondContact O-N 3.34Å; S580-V583 PolarHBondContact O-N 3.23Å; S580-V583 WeakPolarHBondContact OG-CG2 3.09Å; S580-V583 PolarHBondContact OG-N 3.41Å; S580-V583 VanDerWaalsContact OG-N 3.14Å; S580-A584 WeakPolarHBondContact O-CB 3.44Å; S580-A584 PolarHBondContact O-N 2.99Å
581	D	96.8	Very high	96.9	Very high	130 Å²	130	48 Å²	48	70%	0.695	30%	0.296	S	S	*	.	H	α-helix	trans	-59.8	-36.7	172.6	-68.8	-45.7	0	0	0	111.7	A584 D585	D581-A584 PolarHBondContact O-N 3.13Å; D581-D585 WeakPolarHBondContact O-CB 3.41Å; D581-D585 PolarHBondContact O-N 2.99Å
582	D	96.4	Very high	97	Very high	108 Å²	108	52 Å²	52	58%	0.578	30%	0.297	S	S	*	.	H	α-helix	trans	-58.9	-48.8	174.3	-72.6	-10.8	0	0	0	111.3	S580 A584 D585 D586	S580-D582 PolarHBondContact O-N 3.34Å; D582-A584 VanDerWaalsContact C-N 3.33Å; D582-A584 PolarHBondContact O-N 2.93Å; D582-D585 PolarHBondContact O-N 2.96Å; D582-D586 PolarHBondContact O-N 2.87Å
583	V	97.1	Very high	96.9	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-34.6	179.2	176.3	0	0	0	0	111.2	F579 S580 M587	F579-V583 HydrophobicContact CB-CB 4.31Å; F579-V583 HydrophobicContact CB-CG1 4.14Å; F579-V583 HydrophobicContact CD1-CG1 3.83Å; F579-V583 HydrophobicContact CG-CG1 4.24Å; S580-V583 PolarHBondContact O-N 3.23Å; S580-V583 WeakPolarHBondContact OG-CG2 3.09Å; S580-V583 PolarHBondContact OG-N 3.41Å; S580-V583 VanDerWaalsContact OG-N 3.14Å; V583-M587 HydrophobicContact CG1-CE 4.29Å; V583-M587 WeakPolarHBondContact O-CG 3.41Å; V583-M587 PolarHBondContact O-N 2.82Å
584	A	96.8	Very high	96.8	Very high	12 Å²	12	55.3 Å²	55.3	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-39.2	173.1	0	0	0	0	0	112.2	S580 D581 D582 M587 R588	S580-A584 WeakPolarHBondContact O-CB 3.44Å; S580-A584 PolarHBondContact O-N 2.99Å; D581-A584 PolarHBondContact O-N 3.13Å; D582-A584 VanDerWaalsContact C-N 3.33Å; D582-A584 PolarHBondContact O-N 2.93Å; A584-M587 HydrophobicContact CB-CE 4.48Å; A584-M587 PolarHBondContact O-N 3.36Å; A584-R588 VanDerWaalsContact O-CG 3.25Å; A584-R588 WeakPolarHBondContact O-CG 3.4Å; A584-R588 PolarHBondContact O-N 3.41Å
585	D	97.5	Very high	96.5	Very high	79 Å²	79	62.7 Å²	62.7	42%	0.422	32%	0.321	S	S	.	.	H	α-helix	trans	-73.5	-32	175.8	-87.1	-8.9	0	0	0	113.3	D581 D582 R588 S589	D581-D585 WeakPolarHBondContact O-CB 3.41Å; D581-D585 PolarHBondContact O-N 2.99Å; D582-D585 PolarHBondContact O-N 2.96Å; D585-R588 PolarHBondContact O-N 3.34Å; D585-R588 WeakPolarHBondContact OD1-CD 3.12Å; D585-R588 IonicContact OD1-CZ 2.67Å; D585-R588 IonicContact OD1-NH1 3.96Å; D585-R588 PolarHBondContact OD1-NH1 2.89Å; D585-S589 WeakPolarHBondContact O-CB 3.34Å; D585-S589 PolarHBondContact O-N 3.01Å; D585-S589 PolarHBondContact O-OG 2.83Å
586	D	97.2	Very high	96.2	Very high	76 Å²	76	69.6 Å²	69.6	41%	0.406	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-43.2	168.2	-101.9	-15.2	0	0	0	111.1	V308 D582 S589 L590	V308-D586 HydrophobicContact CG1-CB 3.84Å; D582-D586 PolarHBondContact O-N 2.87Å; D586-S589 PolarHBondContact O-N 2.1Å; D586-L590 WeakPolarHBondContact O-CB 3.25Å; D586-L590 PolarHBondContact O-N 3.29Å
587	M	97.8	Very high	96	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-47.2	173.4	-73.7	-173.2	-73.2	0	0	112.2	F305 V308 A309 F579 V583 A584 S589 L590 L591 L600 V613 T625	F305-M587 HydrophobicContact CD2-SD 4.42Å; F305-M587 HydrophobicContact CE2-CB 4.31Å; F305-M587 HydrophobicContact CE2-CG 4.31Å; F305-M587 HydrophobicContact CE2-SD 3.82Å; F305-M587 HydrophobicContact CZ-SD 3.94Å; V308-M587 HydrophobicContact CG1-CG 4.01Å; A309-M587 HydrophobicContact CB-CG 4.36Å; A309-M587 HydrophobicContact CB-SD 3.58Å; A309-M587 VanDerWaalsContact CB-SD 3.58Å; F579-M587 HydrophobicContact CB-CE 4.47Å; F579-M587 HydrophobicContact CD2-CE 4.24Å; F579-M587 HydrophobicContact CG-CE 4.34Å; V583-M587 HydrophobicContact CG1-CE 4.29Å; V583-M587 WeakPolarHBondContact O-CG 3.41Å; V583-M587 PolarHBondContact O-N 2.82Å; A584-M587 HydrophobicContact CB-CE 4.48Å; A584-M587 PolarHBondContact O-N 3.36Å; M587-S589 VanDerWaalsContact C-N 3.29Å; M587-S589 PolarHBondContact O-N 3.25Å; M587-L590 WeakPolarHBondContact O-CB 3.24Å; M587-L590 PolarHBondContact O-N 2.71Å; M587-L591 WeakPolarHBondContact O-CG 3.35Å; M587-L591 PolarHBondContact O-N 3.15Å; M587-L591 VanDerWaalsContact O-N 3.12Å; M587-L600 HydrophobicContact CB-CD1 3.69Å; M587-L600 HydrophobicContact CE-CD1 3.87Å; M587-L600 HydrophobicContact CG-CD1 4.47Å; M587-L600 HydrophobicContact SD-CD1 3.99Å; M587-V613 HydrophobicContact CE-CG2 3.84Å; M587-V613 HydrophobicContact SD-CG2 3.9Å; M587-T625 HydrophobicContact SD-CG2 4.5Å
588	R	97.3	Very high	96.1	Very high	76 Å²	76	66.4 Å²	66.4	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-40.4	176.3	-68.4	165.7	-166.3	130.6	2.6	111.1	A584 D585 L591 R592	A584-R588 VanDerWaalsContact O-CG 3.25Å; A584-R588 WeakPolarHBondContact O-CG 3.4Å; A584-R588 PolarHBondContact O-N 3.41Å; D585-R588 PolarHBondContact O-N 3.34Å; D585-R588 WeakPolarHBondContact OD1-CD 3.12Å; D585-R588 IonicContact OD1-CZ 2.67Å; D585-R588 IonicContact OD1-NH1 3.96Å; D585-R588 PolarHBondContact OD1-NH1 2.89Å; R588-L591 PolarHBondContact O-N 3.03Å; R588-R592 WeakPolarHBondContact O-CG 3.37Å; R588-R592 PolarHBondContact O-N 3.13Å
589	S	97.1	Very high	96.1	Very high	43 Å²	43	64.4 Å²	64.4	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-70.9	-30.8	178.5	-60.5	0	0	0	0	113	D585 D586 M587 R592	D585-S589 WeakPolarHBondContact O-CB 3.34Å; D585-S589 PolarHBondContact O-N 3.01Å; D585-S589 PolarHBondContact O-OG 2.83Å; D586-S589 PolarHBondContact O-N 2.1Å; M587-S589 VanDerWaalsContact C-N 3.29Å; M587-S589 PolarHBondContact O-N 3.25Å; S589-R592 PolarHBondContact OG-NH1 3.08Å; S589-R592 VanDerWaalsContact OG-NH1 3.15Å
590	L	97.2	Very high	96.1	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-51.1	167.7	170.4	69.2	0	0	0	111.1	M1 F305 V308 D586 M587 R592 R593 Y594	M1-L590 HydrophobicContact CE-CB 3.99Å; F305-L590 VanDerWaalsContact CA-CD2 3.46Å; F305-L590 HydrophobicContact CB-CD2 4.23Å; V308-L590 HydrophobicContact CB-CD2 4.24Å; V308-L590 HydrophobicContact CG2-CD2 3.95Å; D586-L590 WeakPolarHBondContact O-CB 3.25Å; D586-L590 PolarHBondContact O-N 3.29Å; M587-L590 WeakPolarHBondContact O-CB 3.24Å; M587-L590 PolarHBondContact O-N 2.71Å; L590-R592 VanDerWaalsContact C-N 3.34Å; L590-R592 PolarHBondContact O-N 3.29Å; L590-R593 WeakPolarHBondContact O-CB 3.43Å; L590-R593 PolarHBondContact O-N 3.02Å; L590-R593 VanDerWaalsContact O-N 3.16Å; L590-Y594 HydrophobicContact CD1-CE2 3.6Å; L590-Y594 HydrophobicContact CG-CE2 3.93Å; L590-Y594 VanDerWaalsContact O-CD2 3.32Å; L590-Y594 WeakPolarHBondContact O-CD2 3.43Å; L590-Y594 WeakPolarHBondContact O-CE2 3.33Å
591	L	97.2	Very high	96	Very high	17 Å²	17	66.8 Å²	66.8	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-36.4	-174.8	-61.9	-170.9	0	0	0	112.9	P301 F305 M587 R588 R593 Y594 W598 L600 L615	P301-L591 HydrophobicContact CB-CD2 3.56Å; P301-L591 HydrophobicContact CG-CD2 3.87Å; F305-L591 HydrophobicContact CD2-CD2 4.25Å; M587-L591 WeakPolarHBondContact O-CG 3.35Å; M587-L591 PolarHBondContact O-N 3.15Å; M587-L591 VanDerWaalsContact O-N 3.12Å; R588-L591 PolarHBondContact O-N 3.03Å; L591-R593 PolarHBondContact O-N 3.41Å; L591-Y594 PolarHBondContact O-N 3.4Å; L591-Y594 VanDerWaalsContact O-N 3.08Å; L591-W598 HydrophobicContact CD2-CB 4.3Å; L591-L600 HydrophobicContact CD1-CB 3.94Å; L591-L615 HydrophobicContact CD1-CD1 4.09Å; L591-L615 HydrophobicContact CD2-CD1 3.61Å
592	R	96.3	Very high	95.7	Very high	182 Å²	182	66.7 Å²	66.7	69%	0.687	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-12.3	174.8	-69.9	172.9	-169.5	141.2	-0.7	114.8	R588 S589 L590	R588-R592 WeakPolarHBondContact O-CG 3.37Å; R588-R592 PolarHBondContact O-N 3.13Å; S589-R592 PolarHBondContact OG-NH1 3.08Å; S589-R592 VanDerWaalsContact OG-NH1 3.15Å; L590-R592 VanDerWaalsContact C-N 3.34Å; L590-R592 PolarHBondContact O-N 3.29Å
593	R	93.5	Very high	95.3	Very high	94 Å²	94	63.8 Å²	63.8	36%	0.355	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.7	179.7	-54	-173.1	-57.7	-179.3	3.1	113.9	M1 L590 L591	M1-R593 VanDerWaalsContact SD-CZ 3.52Å; M1-R593 PolarHBondContact SD-NH1 2.72Å; M1-R593 PolarHBondContact SD-NH2 3.22Å; M1-R593 VanDerWaalsContact SD-NH2 3.4Å; L590-R593 WeakPolarHBondContact O-CB 3.43Å; L590-R593 PolarHBondContact O-N 3.02Å; L590-R593 VanDerWaalsContact O-N 3.16Å; L591-R593 PolarHBondContact O-N 3.41Å
594	Y	95.1	Very high	94.6	Very high	33 Å²	33	65.1 Å²	65.1	13%	0.129	31%	0.313	C	S	.	.	S	Bend	trans	-101	177.8	179.4	-61.7	-79.8	0	0	0	111.1	Q297 E298 P301 S304 L590 L591	Q297-Y594 WeakPolarHBondContact O-CE1 3.28Å; Q297-Y594 PolarHBondContact O-OH 3.28Å; E298-Y594 WeakPolarHBondContact O-CE1 3.39Å; P301-Y594 HydrophobicContact CB-CD2 3.74Å; P301-Y594 HydrophobicContact CB-CE2 3.61Å; P301-Y594 HydrophobicContact CB-CG 4.38Å; P301-Y594 HydrophobicContact CG-CD2 4Å; P301-Y594 HydrophobicContact CG-CE2 4.33Å; P301-Y594 HydrophobicContact CG-CG 4.24Å; S304-Y594 PolarHBondContact OG-OH 3.28Å; L590-Y594 HydrophobicContact CD1-CE2 3.6Å; L590-Y594 HydrophobicContact CG-CE2 3.93Å; L590-Y594 VanDerWaalsContact O-CD2 3.32Å; L590-Y594 WeakPolarHBondContact O-CD2 3.43Å; L590-Y594 WeakPolarHBondContact O-CE2 3.33Å; L591-Y594 PolarHBondContact O-N 3.4Å; L591-Y594 VanDerWaalsContact O-N 3.08Å
595	R	91.5	Very high	93.6	Very high	162 Å²	162	69.4 Å²	69.4	61%	0.611	35%	0.348	S	S	*	.			trans	-62.5	156.7	172.4	-67.2	-179.3	175.2	-156.9	-6.9	110.9	E524	E524-R595 WeakPolarHBondContact O-CD 3.3Å; E524-R595 PolarHBondContact O-NH1 3.07Å
596	E	92.2	Very high	92.6	Very high	185 Å²	185	72.9 Å²	72.9	86%	0.864	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	154.4	171.8	-63.4	-179.1	174.3	0	0	111.4
597	G	93.2	Very high	91.6	Very high	25 Å²	25	70.3 Å²	70.3	26%	0.258	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.6	-13.1	-176.4	0	0	0	0	0	114.6	W617 K618	G597-W617 CarbonylContact O-C 3.58Å; G597-W617 WeakPolarHBondContact O-CA 2.58Å; G597-K618 PolarHBondContact O-N 3.48Å
598	W	97.6	Very high	90.6	Very high	18 Å²	18	72.7 Å²	72.7	7%	0.068	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.7	172.1	-63	106.9	0	0	0	111.8	S300 P301 W302 L591 L615 A616 W617 V622	S300-W598 WeakPolarHBondContact OG-CZ2 3.08Å; P301-W598 HydrophobicContact CG-CB 4.09Å; P301-W598 HydrophobicContact CG-CD2 3.27Å; P301-W598 HydrophobicContact CG-CE3 3.69Å; P301-W598 HydrophobicContact CG-CG 3.43Å; P301-W598 VanDerWaalsContact CG-CG 3.43Å; P301-W598 HydrophobicContact CG-CZ2 4.27Å; P301-W598 HydrophobicContact CG-CZ3 4.31Å; W302-W598 AromaticContact CE3-CH2 3.78Å; W302-W598 HydrophobicContact CE3-CH2 3.78Å; W302-W598 HydrophobicContact CE3-CZ3 4.35Å; W302-W598 HydrophobicContact CZ3-CH2 4.23Å; L591-W598 HydrophobicContact CD2-CB 4.3Å; W598-L615 HydrophobicContact CB-CD1 4.49Å; W598-L615 HydrophobicContact CE3-CD1 3.71Å; W598-L615 HydrophobicContact CE3-CD2 3.92Å; W598-L615 HydrophobicContact CE3-CG 3.78Å; W598-L615 HydrophobicContact CZ3-CD1 4.41Å; W598-L615 HydrophobicContact CZ3-CD2 3.82Å; W598-L615 HydrophobicContact CZ3-CG 3.99Å; W598-A616 WeakPolarHBondContact CA-O 3.33Å; W598-W617 AromaticContact CD1-CZ3 3.89Å; W598-W617 AromaticContact CD2-CE3 3.56Å; W598-W617 HydrophobicContact CD2-CE3 3.56Å; W598-W617 HydrophobicContact CD2-CZ3 4.06Å; W598-W617 AromaticContact CE2-CE3 3.33Å; W598-W617 AromaticContact CE2-CZ3 3.56Å; W598-W617 HydrophobicContact CE3-CB 4.14Å; W598-W617 AromaticContact CE3-CE3 3.93Å; W598-W617 HydrophobicContact CE3-CE3 3.93Å; W598-W617 HydrophobicContact CG-CE3 4.08Å; W598-W617 HydrophobicContact CG-CZ3 4.23Å; W598-W617 HydrophobicContact CH2-CB 4Å; W598-W617 HydrophobicContact CH2-CD2 4.1Å; W598-W617 AromaticContact CH2-CE3 3.89Å; W598-W617 HydrophobicContact CH2-CE3 3.89Å; W598-W617 HydrophobicContact CH2-CG 4.18Å; W598-W617 HydrophobicContact CZ2-CD2 4.06Å; W598-W617 AromaticContact CZ2-CE3 3.52Å; W598-W617 HydrophobicContact CZ2-CE3 3.52Å; W598-W617 AromaticContact CZ2-CZ3 3.94Å; W598-W617 HydrophobicContact CZ2-CZ3 3.94Å; W598-W617 HydrophobicContact CZ3-CB 3.67Å; W598-W617 HydrophobicContact CZ3-CD2 4.41Å; W598-W617 HydrophobicContact CZ3-CE3 4.11Å; W598-W617 HydrophobicContact CZ3-CG 4.29Å; W598-W617 AromaticContact NE1-CE3 3.75Å; W598-W617 AromaticContact NE1-CZ3 3.45Å; W598-V622 HydrophobicContact CZ3-CG2 4.03Å
599	T	96.9	Very high	89.6	Confident	45 Å²	45	72.1 Å²	72.1	28%	0.276	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.8	176.2	54.7	0	0	0	0	111.7	A616	T599-A616 PolarHBondContact N-O 2.95Å; T599-A616 PolarHBondContact O-N 3.14Å
600	L	96.8	Very high	88.6	Confident	40 Å²	40	70.8 Å²	70.8	21%	0.209	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.6	165.1	172.3	145.4	0	0	0	107.1	F305 M587 L591 V613	F305-L600 HydrophobicContact CE2-CD1 4.11Å; F305-L600 HydrophobicContact CZ-CD1 4.47Å; M587-L600 HydrophobicContact CB-CD1 3.69Å; M587-L600 HydrophobicContact CE-CD1 3.87Å; M587-L600 HydrophobicContact CG-CD1 4.47Å; M587-L600 HydrophobicContact SD-CD1 3.99Å; L591-L600 HydrophobicContact CD1-CB 3.94Å; L600-V613 HydrophobicContact CD1-CG2 4.42Å
601	R	93.9	Very high	88.3	Confident	73 Å²	73	71.5 Å²	71.5	28%	0.275	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.2	179.6	165	175.7	167.8	143.3	-6.3	109.6	D607 F614	R601-D607 IonicContact CZ-OD1 3.88Å; R601-D607 IonicContact CZ-OD2 2.78Å; R601-D607 IonicContact NE-OD1 2.81Å; R601-D607 IonicContact NE-OD2 2.83Å; R601-D607 PolarHBondContact NE-OD2 3.06Å; R601-D607 IonicContact NH2-OD1 3.69Å; R601-D607 PolarHBondContact NH2-OD1 3.43Å; R601-D607 IonicContact NH2-OD2 3.37Å; R601-D607 PolarHBondContact NH2-OD2 3.07Å; R601-F614 HydrophobicContact CB-CB 4.25Å; R601-F614 PolarHBondContact N-O 3.14Å; R601-F614 PolarHBondContact O-N 2.9Å
602	E	91.5	Very high	88.2	Confident	127 Å²	127	71.6 Å²	71.6	59%	0.593	39%	0.392	S	S	*	.			trans	-77.4	151.4	166.1	-69.6	174.1	-161.7	0	0	110	G604 V613	E602-G604 PolarHBondContact O-N 2.83Å; E602-G604 VanDerWaalsContact O-N 3.16Å; E602-V613 HydrophobicContact CG-CG1 4.36Å
603	P	88	Confident	88.3	Confident	48 Å²	48	63.7 Å²	63.7	31%	0.312	36%	0.364	S	S	.	.			trans	-57.6	118.3	178.5	-25.2	34.9	0	0	0	112.4	D607 A610 G612 F614	P603-D607 WeakPolarHBondContact CA-OD2 3.46Å; P603-D607 HydrophobicContact CB-CB 4.23Å; P603-A610 HydrophobicContact CB-CB 4.19Å; P603-A610 HydrophobicContact CG-CB 4.36Å; P603-G612 WeakPolarHBondContact CD-O 3.42Å; P603-G612 WeakPolarHBondContact CG-O 3.39Å; P603-F614 HydrophobicContact CB-CE2 4.19Å; P603-F614 HydrophobicContact CG-CD2 4.44Å; P603-F614 HydrophobicContact CG-CE2 4.01Å
604	G	82	Confident	88.5	Confident	32 Å²	32	59.3 Å²	59.3	33%	0.33	35%	0.348	S	S	.	.			trans	-87.4	-179.8	173.3	0	0	0	0	0	112.7	E602 D606 D607	E602-G604 PolarHBondContact O-N 2.83Å; E602-G604 VanDerWaalsContact O-N 3.16Å; G604-D606 PolarHBondContact O-N 2.84Å; G604-D607 PolarHBondContact N-OD2 3.38Å; G604-D607 PolarHBondContact O-N 3.36Å; G604-D607 VanDerWaalsContact O-N 3.09Å
605	A	75.1	Confident	88.6	Confident	101 Å²	101	57.8 Å²	57.8	84%	0.835	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-57.9	-34.1	177.4	0	0	0	0	0	113.1	D607 G608	A605-D607 VanDerWaalsContact C-N 3.32Å; A605-G608 PolarHBondContact O-N 2.75Å
606	D	76.4	Confident	88.9	Confident	153 Å²	153	50 Å²	50	82%	0.818	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-74.4	-21.1	-180	-54.3	-38.3	0	0	0	113	G604 G608	G604-D606 PolarHBondContact O-N 2.84Å; D606-G608 PolarHBondContact O-N 3.21Å
607	D	76.7	Confident	89.1	Confident	22 Å²	22	41.5 Å²	41.5	12%	0.118	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-81.2	5.2	178.7	-55.1	-37.7	0	0	0	111.8	A563 R601 P603 G604 A605 A610 F614	A563-D607 VanDerWaalsContact CB-O 3.31Å; A563-D607 WeakPolarHBondContact CB-O 3.31Å; R601-D607 IonicContact CZ-OD1 3.88Å; R601-D607 IonicContact CZ-OD2 2.78Å; R601-D607 IonicContact NE-OD1 2.81Å; R601-D607 IonicContact NE-OD2 2.83Å; R601-D607 PolarHBondContact NE-OD2 3.06Å; R601-D607 IonicContact NH2-OD1 3.69Å; R601-D607 PolarHBondContact NH2-OD1 3.43Å; R601-D607 IonicContact NH2-OD2 3.37Å; R601-D607 PolarHBondContact NH2-OD2 3.07Å; P603-D607 WeakPolarHBondContact CA-OD2 3.46Å; P603-D607 HydrophobicContact CB-CB 4.23Å; G604-D607 PolarHBondContact N-OD2 3.38Å; G604-D607 PolarHBondContact O-N 3.36Å; G604-D607 VanDerWaalsContact O-N 3.09Å; A605-D607 VanDerWaalsContact C-N 3.32Å; D607-A610 HydrophobicContact CB-CB 4.27Å; D607-A610 VanDerWaalsContact O-CB 3.29Å; D607-A610 WeakPolarHBondContact O-CB 3.32Å; D607-A610 PolarHBondContact O-N 3.49Å; D607-F614 HydrophobicContact CB-CE2 3.95Å; D607-F614 HydrophobicContact CB-CZ 4.16Å
608	G	77.6	Confident	89.2	Confident	50 Å²	50	45.4 Å²	45.4	52%	0.515	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-143.5	-179.9	0	0	0	0	0	112.5	A605 D606 A610	A605-G608 PolarHBondContact O-N 2.75Å; D606-G608 PolarHBondContact O-N 3.21Å; G608-A610 PolarHBondContact O-N 2.94Å; G608-A610 VanDerWaalsContact O-N 3.1Å
609	A	75.3	Confident	88.9	Confident	64 Å²	64	50.5 Å²	50.5	53%	0.529	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	35.1	177.1	0	0	0	0	0	112.9	R570	R570-A609 VanDerWaalsContact CZ-O 3.23Å; R570-A609 PolarHBondContact NH1-O 3.31Å; R570-A609 PolarHBondContact NH2-O 3.29Å
610	A	77.2	Confident	88.8	Confident	16 Å²	16	51.2 Å²	51.2	13%	0.132	31%	0.307	C	S	.	.			trans	-61.2	147.4	171.7	0	0	0	0	0	110.9	A563 P603 D607 G608 F614	A563-A610 HydrophobicContact CB-CB 4.42Å; P603-A610 HydrophobicContact CB-CB 4.19Å; P603-A610 HydrophobicContact CG-CB 4.36Å; D607-A610 HydrophobicContact CB-CB 4.27Å; D607-A610 VanDerWaalsContact O-CB 3.29Å; D607-A610 WeakPolarHBondContact O-CB 3.32Å; D607-A610 PolarHBondContact O-N 3.49Å; G608-A610 PolarHBondContact O-N 2.94Å; G608-A610 VanDerWaalsContact O-N 3.1Å; A610-F614 HydrophobicContact CB-CE2 4.27Å; A610-F614 HydrophobicContact CB-CZ 4.05Å
611	A	90.5	Very high	88.7	Confident	15 Å²	15	50.3 Å²	50.3	12%	0.124	30%	0.303	C	S	.	.			trans	-119.9	162.2	170	0	0	0	0	0	108.6	P576 W624 W628	P576-A611 HydrophobicContact CB-CB 3.62Å; P576-A611 HydrophobicContact CG-CB 4.36Å; A611-W624 PolarHBondContact O-NE1 3.12Å; A611-W628 HydrophobicContact CB-CH2 3.94Å; A611-W628 HydrophobicContact CB-CZ2 4.02Å
612	G	95.6	Very high	88.8	Confident	19 Å²	19	46.9 Å²	46.9	20%	0.196	29%	0.29	C	S	.	.	S	Bend	trans	83.8	-148.7	-174.6	0	0	0	0	0	112.3	P603 T625	P603-G612 WeakPolarHBondContact CD-O 3.42Å; P603-G612 WeakPolarHBondContact CG-O 3.39Å; G612-T625 CarbonylContact C-O 3.52Å; G612-T625 VanDerWaalsContact CA-O 3.25Å; G612-T625 WeakPolarHBondContact CA-O 3.48Å
613	V	97	Very high	89.2	Confident	15 Å²	15	40.9 Å²	40.9	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	166	-176.7	-62.9	0	0	0	0	111.8	F305 F579 M587 L600 E602 T625	F305-V613 HydrophobicContact CZ-CG2 3.95Å; F579-V613 HydrophobicContact CD2-CG1 4.49Å; F579-V613 HydrophobicContact CD2-CG2 4.15Å; F579-V613 HydrophobicContact CE2-CG2 4.03Å; M587-V613 HydrophobicContact CE-CG2 3.84Å; M587-V613 HydrophobicContact SD-CG2 3.9Å; L600-V613 HydrophobicContact CD1-CG2 4.42Å; E602-V613 HydrophobicContact CG-CG1 4.36Å; V613-T625 HydrophobicContact CG2-CG2 3.65Å; V613-T625 PolarHBondContact N-O 3.1Å; V613-T625 PolarHBondContact O-N 3.04Å
614	F	97.7	Very high	89.6	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.4	178.4	-62	-89	0	0	0	111.9	D481 R601 P603 D607 A610 P621 V623 W624	D481-F614 HydrophobicContact CB-CE1 4.42Å; R601-F614 HydrophobicContact CB-CB 4.25Å; R601-F614 PolarHBondContact N-O 3.14Å; R601-F614 PolarHBondContact O-N 2.9Å; P603-F614 HydrophobicContact CB-CE2 4.19Å; P603-F614 HydrophobicContact CG-CD2 4.44Å; P603-F614 HydrophobicContact CG-CE2 4.01Å; D607-F614 HydrophobicContact CB-CE2 3.95Å; D607-F614 HydrophobicContact CB-CZ 4.16Å; A610-F614 HydrophobicContact CB-CE2 4.27Å; A610-F614 HydrophobicContact CB-CZ 4.05Å; F614-P621 HydrophobicContact CB-CB 4.48Å; F614-P621 HydrophobicContact CD1-CB 4.04Å; F614-P621 HydrophobicContact CG-CB 4.43Å; F614-V623 CarbonylContact C-O 3.09Å; F614-V623 WeakPolarHBondContact CA-O 3.43Å; F614-W624 HydrophobicContact CD1-CB 3.8Å; F614-W624 AromaticContact CD1-CD1 3.92Å; F614-W624 HydrophobicContact CD1-CG 4.26Å; F614-W624 HydrophobicContact CE1-CB 3.74Å; F614-W624 AromaticContact CE1-CD1 3.53Å; F614-W624 AromaticContact CE1-CG 3.9Å; F614-W624 HydrophobicContact CE1-CG 3.9Å; F614-W624 AromaticContact CZ-CD1 3.72Å; F614-W624 HydrophobicContact CZ-CG 4.45Å
615	L	98.1	Very high	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.5	154.4	179.2	66.6	0	0	0	107.8	P301 F305 L591 W598 V622 V623	P301-L615 HydrophobicContact CB-CD1 4.45Å; P301-L615 HydrophobicContact CB-CD2 4.32Å; P301-L615 HydrophobicContact CG-CD1 4.19Å; P301-L615 HydrophobicContact CG-CD2 4.21Å; F305-L615 HydrophobicContact CB-CD2 4Å; F305-L615 HydrophobicContact CD1-CB 3.63Å; F305-L615 HydrophobicContact CD1-CD2 4.49Å; F305-L615 HydrophobicContact CD2-CB 4.16Å; F305-L615 HydrophobicContact CD2-CD1 4.04Å; F305-L615 HydrophobicContact CE1-CB 3.67Å; F305-L615 HydrophobicContact CE2-CB 4.2Å; F305-L615 HydrophobicContact CE2-CD1 4.39Å; F305-L615 HydrophobicContact CG-CB 3.87Å; F305-L615 HydrophobicContact CG-CD1 4.27Å; F305-L615 HydrophobicContact CG-CD2 4.21Å; F305-L615 HydrophobicContact CG-CG 4.35Å; F305-L615 HydrophobicContact CZ-CB 3.96Å; L591-L615 HydrophobicContact CD1-CD1 4.09Å; L591-L615 HydrophobicContact CD2-CD1 3.61Å; W598-L615 HydrophobicContact CB-CD1 4.49Å; W598-L615 HydrophobicContact CE3-CD1 3.71Å; W598-L615 HydrophobicContact CE3-CD2 3.92Å; W598-L615 HydrophobicContact CE3-CG 3.78Å; W598-L615 HydrophobicContact CZ3-CD1 4.41Å; W598-L615 HydrophobicContact CZ3-CD2 3.82Å; W598-L615 HydrophobicContact CZ3-CG 3.99Å; L615-V622 HydrophobicContact CG-CG2 4.36Å; L615-V622 WeakPolarHBondContact O-CG2 3.34Å; L615-V622 PolarHBondContact O-N 3.22Å; L615-V623 HydrophobicContact CB-CB 4.14Å; L615-V623 HydrophobicContact CD2-CB 4.44Å; L615-V623 HydrophobicContact CD2-CG2 4.44Å; L615-V623 PolarHBondContact N-O 3.03Å; L615-V623 PolarHBondContact O-N 3.25Å
616	A	97.3	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.9	172.3	0	0	0	0	0	111.4	W598 T599 Q620	W598-A616 WeakPolarHBondContact CA-O 3.33Å; T599-A616 PolarHBondContact N-O 2.95Å; T599-A616 PolarHBondContact O-N 3.14Å; A616-Q620 CarbonylContact C-O 3.59Å; A616-Q620 WeakPolarHBondContact CA-O 3.44Å; A616-Q620 WeakPolarHBondContact CB-O 3.36Å
617	W	97	Very high	92.5	Very high	5 Å²	5	25 Å²	25	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.9	168.6	176.5	-119.7	0	0	0	107.8	E524 G597 W598 E619 Q620 V622	E524-W617 HydrophobicContact CB-CH2 4.04Å; E524-W617 HydrophobicContact CB-CZ2 3.92Å; E524-W617 HydrophobicContact CG-CZ2 4.36Å; G597-W617 CarbonylContact O-C 3.58Å; G597-W617 WeakPolarHBondContact O-CA 2.58Å; W598-W617 AromaticContact CD1-CZ3 3.89Å; W598-W617 AromaticContact CD2-CE3 3.56Å; W598-W617 HydrophobicContact CD2-CE3 3.56Å; W598-W617 HydrophobicContact CD2-CZ3 4.06Å; W598-W617 AromaticContact CE2-CE3 3.33Å; W598-W617 AromaticContact CE2-CZ3 3.56Å; W598-W617 HydrophobicContact CE3-CB 4.14Å; W598-W617 AromaticContact CE3-CE3 3.93Å; W598-W617 HydrophobicContact CE3-CE3 3.93Å; W598-W617 HydrophobicContact CG-CE3 4.08Å; W598-W617 HydrophobicContact CG-CZ3 4.23Å; W598-W617 HydrophobicContact CH2-CB 4Å; W598-W617 HydrophobicContact CH2-CD2 4.1Å; W598-W617 AromaticContact CH2-CE3 3.89Å; W598-W617 HydrophobicContact CH2-CE3 3.89Å; W598-W617 HydrophobicContact CH2-CG 4.18Å; W598-W617 HydrophobicContact CZ2-CD2 4.06Å; W598-W617 AromaticContact CZ2-CE3 3.52Å; W598-W617 HydrophobicContact CZ2-CE3 3.52Å; W598-W617 AromaticContact CZ2-CZ3 3.94Å; W598-W617 HydrophobicContact CZ2-CZ3 3.94Å; W598-W617 HydrophobicContact CZ3-CB 3.67Å; W598-W617 HydrophobicContact CZ3-CD2 4.41Å; W598-W617 HydrophobicContact CZ3-CE3 4.11Å; W598-W617 HydrophobicContact CZ3-CG 4.29Å; W598-W617 AromaticContact NE1-CE3 3.75Å; W598-W617 AromaticContact NE1-CZ3 3.45Å; W617-E619 PolarHBondContact O-N 3.04Å; W617-Q620 PolarHBondContact N-O 3.45Å; W617-Q620 VanDerWaalsContact O-CB 3.32Å; W617-Q620 WeakPolarHBondContact O-CB 3.37Å; W617-Q620 PolarHBondContact O-N 2.92Å; W617-V622 HydrophobicContact CB-CG1 4.32Å; W617-V622 HydrophobicContact CB-CG2 4.33Å
618	K	94.9	Very high	93.6	Very high	108 Å²	108	24 Å²	24	47%	0.47	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	54.6	-177.5	-61.6	-177.8	174.9	-178.6	0	112.1	E524 G597 Q620	E524-K618 IonicContact OE1-NZ 2.72Å; E524-K618 PolarHBondContact OE1-NZ 2.9Å; E524-K618 WeakPolarHBondContact OE2-CE 3.47Å; E524-K618 IonicContact OE2-NZ 3.78Å; E524-K618 PolarHBondContact OE2-NZ 3.37Å; G597-K618 PolarHBondContact O-N 3.48Å; K618-Q620 PolarHBondContact O-N 2.98Å; K618-Q620 VanDerWaalsContact O-N 3.1Å
619	E	92.4	Very high	94.5	Very high	125 Å²	125	28.5 Å²	28.5	58%	0.584	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	-1.1	-175.8	-51.9	-49.7	114.2	0	0	116.5	W617	W617-E619 PolarHBondContact O-N 3.04Å
620	Q	93.5	Very high	95.5	Very high	60 Å²	60	28.6 Å²	28.6	28%	0.28	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.9	177.1	-176.8	166.1	48.2	0	0	111.5	R513 A616 W617 K618 V622	R513-Q620 VanDerWaalsContact CG-NE2 3.26Å; A616-Q620 CarbonylContact C-O 3.59Å; A616-Q620 WeakPolarHBondContact CA-O 3.44Å; A616-Q620 WeakPolarHBondContact CB-O 3.36Å; W617-Q620 PolarHBondContact N-O 3.45Å; W617-Q620 VanDerWaalsContact O-CB 3.32Å; W617-Q620 WeakPolarHBondContact O-CB 3.37Å; W617-Q620 PolarHBondContact O-N 2.92Å; K618-Q620 PolarHBondContact O-N 2.98Å; K618-Q620 VanDerWaalsContact O-N 3.1Å; Q620-V622 PolarHBondContact O-N 3.49Å
621	P	95.2	Very high	96.4	Very high	21 Å²	21	29.2 Å²	29.2	14%	0.136	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	135.6	172.1	-24.6	34.9	0	0	0	111.9	F614	F614-P621 HydrophobicContact CB-CB 4.48Å; F614-P621 HydrophobicContact CD1-CB 4.04Å; F614-P621 HydrophobicContact CG-CB 4.43Å
622	V	97	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	-31.5	179.3	-70.9	0	0	0	0	113.8	W302 E480 D481 A517 W598 L615 W617 Q620	W302-V622 HydrophobicContact CE3-CG2 4.35Å; W302-V622 HydrophobicContact CH2-CB 3.47Å; W302-V622 VanDerWaalsContact CH2-CB 3.47Å; W302-V622 HydrophobicContact CH2-CG1 3.68Å; W302-V622 HydrophobicContact CH2-CG2 4.02Å; W302-V622 HydrophobicContact CZ2-CB 3.96Å; W302-V622 HydrophobicContact CZ3-CB 3.9Å; W302-V622 HydrophobicContact CZ3-CG1 4.03Å; W302-V622 HydrophobicContact CZ3-CG2 3.94Å; E480-V622 CarbonylContact C-O 3.4Å; E480-V622 WeakPolarHBondContact CA-O 3.47Å; D481-V622 PolarHBondContact N-O 3.27Å; A517-V622 HydrophobicContact CB-CG1 4.22Å; W598-V622 HydrophobicContact CZ3-CG2 4.03Å; L615-V622 HydrophobicContact CG-CG2 4.36Å; L615-V622 WeakPolarHBondContact O-CG2 3.34Å; L615-V622 PolarHBondContact O-N 3.22Å; W617-V622 HydrophobicContact CB-CG1 4.32Å; W617-V622 HydrophobicContact CB-CG2 4.33Å; Q620-V622 PolarHBondContact O-N 3.49Å
623	V	97.9	Very high	96.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.5	174.8	-179	0	0	0	0	109	W302 F305 V478 E480 F614 L615	W302-V623 HydrophobicContact CD2-CG2 4.3Å; W302-V623 HydrophobicContact CG-CG2 4.24Å; W302-V623 HydrophobicContact CZ2-CG2 4.44Å; F305-V623 HydrophobicContact CD1-CG1 4.49Å; V478-V623 HydrophobicContact CG1-CG1 3.73Å; E480-V623 HydrophobicContact CG-CG2 4.27Å; F614-V623 CarbonylContact C-O 3.09Å; F614-V623 WeakPolarHBondContact CA-O 3.43Å; L615-V623 HydrophobicContact CB-CB 4.14Å; L615-V623 HydrophobicContact CD2-CB 4.44Å; L615-V623 HydrophobicContact CD2-CG2 4.44Å; L615-V623 PolarHBondContact N-O 3.03Å; L615-V623 PolarHBondContact O-N 3.25Å
624	W	97.8	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.2	174.7	170.4	68.2	0	0	0	109.8	V477 V478 E479 D481 W565 A566 A611 F614 S626 W628	V477-W624 HydrophobicContact CB-CH2 4.43Å; V477-W624 HydrophobicContact CB-CZ3 4.15Å; V477-W624 HydrophobicContact CG1-CE3 4.38Å; V477-W624 HydrophobicContact CG1-CH2 4.26Å; V477-W624 HydrophobicContact CG1-CZ3 3.59Å; V478-W624 WeakPolarHBondContact CA-O 3.4Å; E479-W624 HydrophobicContact CB-CE3 4.35Å; E479-W624 PolarHBondContact N-O 3.06Å; E479-W624 PolarHBondContact O-N 3.2Å; D481-W624 HydrophobicContact CB-CB 4.41Å; W565-W624 HydrophobicContact CB-CE3 4.2Å; W565-W624 HydrophobicContact CB-CH2 3.44Å; W565-W624 VanDerWaalsContact CB-CH2 3.44Å; W565-W624 HydrophobicContact CB-CZ2 4.46Å; W565-W624 HydrophobicContact CB-CZ3 3.28Å; W565-W624 AromaticContact CD1-CZ3 3.93Å; W565-W624 HydrophobicContact CG-CE3 4.49Å; W565-W624 HydrophobicContact CG-CH2 4.43Å; W565-W624 AromaticContact CG-CZ3 3.81Å; W565-W624 HydrophobicContact CG-CZ3 3.81Å; A566-W624 HydrophobicContact CB-CZ2 4.29Å; A611-W624 PolarHBondContact O-NE1 3.12Å; F614-W624 HydrophobicContact CD1-CB 3.8Å; F614-W624 AromaticContact CD1-CD1 3.92Å; F614-W624 HydrophobicContact CD1-CG 4.26Å; F614-W624 HydrophobicContact CE1-CB 3.74Å; F614-W624 AromaticContact CE1-CD1 3.53Å; F614-W624 AromaticContact CE1-CG 3.9Å; F614-W624 HydrophobicContact CE1-CG 3.9Å; F614-W624 AromaticContact CZ-CD1 3.72Å; F614-W624 HydrophobicContact CZ-CG 4.45Å; W624-S626 WeakPolarHBondContact CH2-OG 3.31Å; W624-S626 WeakPolarHBondContact CZ2-OG 3.3Å; W624-W628 HydrophobicContact CH2-CZ2 4.45Å; W624-W628 HydrophobicContact CZ2-CZ2 4.31Å
625	T	98.2	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.7	173.3	-172.6	0	0	0	0	112.2	F305 A309 V477 F579 M587 G612 V613	F305-T625 HydrophobicContact CD1-CG2 4.19Å; F305-T625 HydrophobicContact CE1-CG2 3.49Å; F305-T625 VanDerWaalsContact CE1-CG2 3.49Å; F305-T625 HydrophobicContact CZ-CG2 4.1Å; A309-T625 HydrophobicContact CB-CG2 3.55Å; V477-T625 CarbonylContact O-C 3.51Å; V477-T625 VanDerWaalsContact O-CA 3.26Å; V477-T625 WeakPolarHBondContact O-CA 3.42Å; V477-T625 PolarHBondContact O-OG1 2.93Å; F579-T625 HydrophobicContact CE2-CG2 4.06Å; F579-T625 HydrophobicContact CZ-CG2 4.14Å; M587-T625 HydrophobicContact SD-CG2 4.5Å; G612-T625 CarbonylContact C-O 3.52Å; G612-T625 VanDerWaalsContact CA-O 3.25Å; G612-T625 WeakPolarHBondContact CA-O 3.48Å; V613-T625 HydrophobicContact CG2-CG2 3.65Å; V613-T625 PolarHBondContact N-O 3.1Å; V613-T625 PolarHBondContact O-N 3.04Å
626	S	98.1	Very high	96.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	156.9	-179.1	57.1	0	0	0	0	112.3	T476 V477 W624 W628	T476-S626 WeakPolarHBondContact CA-O 3.44Å; V477-S626 PolarHBondContact N-O 3.26Å; V477-S626 PolarHBondContact O-N 2.86Å; W624-S626 WeakPolarHBondContact CH2-OG 3.31Å; W624-S626 WeakPolarHBondContact CZ2-OG 3.3Å; S626-W628 PolarHBondContact OG-NE1 2.82Å
627	A	98.5	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.7	170.9	0	0	0	0	0	110.5	A313 V474 V475 T476 V577 F579	A313-A627 HydrophobicContact CB-CB 3.79Å; V474-A627 HydrophobicContact CG2-CB 4.44Å; V475-A627 CarbonylContact O-C 3.53Å; T476-A627 HydrophobicContact CG2-CB 4.49Å; V577-A627 HydrophobicContact CB-CB 4.01Å; V577-A627 HydrophobicContact CG1-CB 4.49Å; V577-A627 PolarHBondContact N-O 3.43Å; F579-A627 HydrophobicContact CE1-CB 4.06Å; F579-A627 HydrophobicContact CZ-CB 4.44Å
628	W	98.5	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.4	-173.2	-59.3	85.4	0	0	0	110.9	V474 V475 A566 M569 R570 F574 S575 P576 A611 W624 S626	V474-W628 CarbonylContact C-O 3.57Å; V474-W628 WeakPolarHBondContact CA-O 3.49Å; V475-W628 HydrophobicContact CB-CB 4.29Å; V475-W628 PolarHBondContact N-O 3.49Å; V475-W628 PolarHBondContact O-N 3.11Å; A566-W628 HydrophobicContact CB-CH2 3.73Å; A566-W628 HydrophobicContact CB-CZ2 3.81Å; M569-W628 HydrophobicContact CB-CD2 3.66Å; M569-W628 HydrophobicContact CB-CE3 3.55Å; M569-W628 HydrophobicContact CB-CG 4.43Å; M569-W628 HydrophobicContact CB-CH2 3.8Å; M569-W628 HydrophobicContact CB-CZ2 3.88Å; M569-W628 HydrophobicContact CB-CZ3 3.63Å; M569-W628 HydrophobicContact CE-CB 3.65Å; M569-W628 HydrophobicContact CE-CD2 3.94Å; M569-W628 HydrophobicContact CE-CG 3.43Å; M569-W628 VanDerWaalsContact CE-CG 3.43Å; M569-W628 HydrophobicContact CG-CD2 3.86Å; M569-W628 HydrophobicContact CG-CE3 4.3Å; M569-W628 HydrophobicContact CG-CG 4.29Å; M569-W628 HydrophobicContact CG-CH2 4.44Å; M569-W628 HydrophobicContact CG-CZ2 4.01Å; R570-W628 HydrophobicContact CG-CH2 4.4Å; R570-W628 HydrophobicContact CG-CZ3 3.9Å; F574-W628 HydrophobicContact CB-CB 4.21Å; F574-W628 HydrophobicContact CB-CE3 3.95Å; F574-W628 HydrophobicContact CD1-CB 4.27Å; F574-W628 HydrophobicContact CG-CB 4.46Å; S575-W628 CarbonylContact O-C 3.57Å; S575-W628 WeakPolarHBondContact O-CA 3.32Å; P576-W628 HydrophobicContact CB-CE3 3.99Å; P576-W628 HydrophobicContact CB-CH2 4.03Å; P576-W628 HydrophobicContact CB-CZ3 3.71Å; P576-W628 HydrophobicContact CG-CZ3 4.21Å; A611-W628 HydrophobicContact CB-CH2 3.94Å; A611-W628 HydrophobicContact CB-CZ2 4.02Å; W624-W628 HydrophobicContact CH2-CZ2 4.45Å; W624-W628 HydrophobicContact CZ2-CZ2 4.31Å; S626-W628 PolarHBondContact OG-NE1 2.82Å
629	R	97.3	Very high	96.7	Very high	145 Å²	145	34.9 Å²	34.9	55%	0.547	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.1	171	68.8	-176.9	178.8	-172.8	-1.6	111	F574 S575 V577	F574-R629 CarbonylContact C-O 3.6Å; F574-R629 VanDerWaalsContact CA-O 3.28Å; F574-R629 WeakPolarHBondContact CA-O 3.44Å; F574-R629 WeakPolarHBondContact CD1-O 3.49Å; S575-R629 PolarHBondContact N-O 3.43Å; S575-R629 PolarHBondContact O-N 3.42Å; S575-R629 WeakPolarHBondContact OG-CG 3.38Å; S575-R629 PolarHBondContact OG-NE 3.21Å; S575-R629 PolarHBondContact OG-O 2.96Å; V577-R629 HydrophobicContact CG2-CB 3.98Å; V577-R629 HydrophobicContact CG2-CG 3.81Å
630	P	95.5	Very high	97	Very high	66 Å²	66	26.7 Å²	26.7	43%	0.429	13%	0.128	S	C	.	.			trans	-44.8	0	172.7	-38	41.7	0	0	0	117.9	R468 P472 G573 S575	R468-P630 VanDerWaalsContact CZ-CB 3.46Å; R468-P630 PolarHBondContact NE-OXT 3.43Å; R468-P630 PolarHBondContact NH2-OXT 3.31Å; P472-P630 HydrophobicContact CG-CG 4.45Å; P472-P630 WeakPolarHBondContact O-CD 3.32Å; P472-P630 WeakPolarHBondContact O-CG 3.35Å; G573-P630 VanDerWaalsContact O-OXT 3.07Å; S575-P630 PolarHBondContact OG-O 3.09Å

Retrieved 630 of 630 residues in 869.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).