A0A087YB03_POEFO Loading...

Beta-galactoside alpha-2,6-sialyltransferase 2

Transfers sialic acid from the donor of substrate CMP-sialic acid to galactose containing acceptor substrates.

AlphaFold DB , UniProt , Accession A0A087YB03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 534 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.2	Low	69	Low	223 Å²	223	149.6 Å²	149.6	100%	1.099	70%	0.696	S	S	*	*				0	3.1	0	-73.7	162.2	72.1	0	0	116.2
2	K	55.5	Low	70.4	Confident	188 Å²	188	144.7 Å²	144.7	82%	0.817	68%	0.677	S	S	*	*			trans	-89.5	-19.4	177.7	-84.3	178	176.8	174.7	0	115.6
3	S	56.8	Low	71.8	Confident	99 Å²	99	142 Å²	142	69%	0.692	67%	0.669	S	S	*	*	H	α-helix	trans	-74.4	-39	179.5	-163.9	0	0	0	0	112.6	M5 K6 Q7	S3-M5 VanDerWaalsContact C-N 3.32Å; S3-M5 PolarHBondContact O-N 3.17Å; S3-K6 PolarHBondContact O-N 3.49Å; S3-Q7 PolarHBondContact O-N 3.49Å
4	S	61	Low	73.1	Confident	79 Å²	79	138.4 Å²	138.4	55%	0.552	66%	0.661	S	S	*	*	H	α-helix	trans	-61.5	-34.1	-178.3	-166.2	0	0	0	0	113.9	W8	S4-W8 PolarHBondContact O-N 3.46Å; S4-W8 VanDerWaalsContact O-N 3.11Å
5	M	64.3	Low	74.2	Confident	118 Å²	118	132.8 Å²	132.8	58%	0.581	65%	0.647	S	S	*	*	H	α-helix	trans	-73.8	-30	-178.4	-70.8	-150.4	-60.3	0	0	113.5	S3 R9	S3-M5 VanDerWaalsContact C-N 3.32Å; S3-M5 PolarHBondContact O-N 3.17Å; M5-R9 WeakPolarHBondContact O-CG 3.49Å; M5-R9 PolarHBondContact O-N 3.46Å
6	K	71.3	Confident	75.2	Confident	161 Å²	161	131.5 Å²	131.5	70%	0.7	64%	0.641	S	S	*	*	H	α-helix	trans	-71.9	-36.8	176.2	-75.4	-173.7	177.9	-177.6	0	111.2	S3 R9 R10	S3-K6 PolarHBondContact O-N 3.49Å; K6-R9 PolarHBondContact O-N 3.46Å; K6-R10 PolarHBondContact O-N 3.4Å
7	Q	76.6	Confident	76.2	Confident	130 Å²	130	130.2 Å²	130.2	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-40.4	175.8	-167	170	-13.7	0	0	111.4	S3 R10 L11	S3-Q7 PolarHBondContact O-N 3.49Å; Q7-R10 PolarHBondContact O-N 2.72Å; Q7-L11 HydrophobicContact CG-CD1 4.46Å; Q7-L11 WeakPolarHBondContact O-CG 3.33Å; Q7-L11 PolarHBondContact O-N 3.39Å
8	W	74.3	Confident	77.1	Confident	172 Å²	172	127.6 Å²	127.6	65%	0.652	63%	0.629	S	S	*	*	H	α-helix	trans	-64	-41.3	174.4	-121	69.7	0	0	0	113.1	S4 R10 L11 L12	S4-W8 PolarHBondContact O-N 3.46Å; S4-W8 VanDerWaalsContact O-N 3.11Å; W8-R10 VanDerWaalsContact C-N 3.35Å; W8-R10 PolarHBondContact O-N 2.73Å; W8-L11 PolarHBondContact O-N 3.43Å; W8-L12 HydrophobicContact CE3-CD1 3.74Å; W8-L12 HydrophobicContact CE3-CG 4.29Å; W8-L12 HydrophobicContact CZ3-CD1 4.06Å; W8-L12 WeakPolarHBondContact O-CB 3.29Å; W8-L12 WeakPolarHBondContact O-CG 3.32Å; W8-L12 PolarHBondContact O-N 3.14Å
9	R	78.6	Confident	78	Confident	177 Å²	177	130.6 Å²	130.6	67%	0.668	63%	0.633	S	S	*	*	H	α-helix	trans	-64.3	-38.2	174.3	-74.8	-179.5	-178.9	-156.2	-0.2	112.6	M5 K6 L12 L13	M5-R9 WeakPolarHBondContact O-CG 3.49Å; M5-R9 PolarHBondContact O-N 3.46Å; K6-R9 PolarHBondContact O-N 3.46Å; R9-L12 PolarHBondContact O-N 3.27Å; R9-L13 WeakPolarHBondContact O-CB 3.28Å; R9-L13 VanDerWaalsContact O-CG 3.29Å; R9-L13 WeakPolarHBondContact O-CG 3.19Å; R9-L13 PolarHBondContact O-N 3.14Å
10	R	80.4	Confident	78.7	Confident	193 Å²	193	128.6 Å²	128.6	73%	0.728	63%	0.625	S	S	*	*	H	α-helix	trans	-66.1	-42	174.2	-77.5	-175.7	177.1	-171.8	-1.4	111.8	K6 Q7 W8 L13 V14	K6-R10 PolarHBondContact O-N 3.4Å; Q7-R10 PolarHBondContact O-N 2.72Å; W8-R10 VanDerWaalsContact C-N 3.35Å; W8-R10 PolarHBondContact O-N 2.73Å; R10-L13 PolarHBondContact O-N 3.29Å; R10-V14 VanDerWaalsContact O-CG2 3.29Å; R10-V14 WeakPolarHBondContact O-CG2 3.41Å; R10-V14 PolarHBondContact O-N 3.46Å
11	L	84.7	Confident	79.3	Confident	106 Å²	106	127.4 Å²	127.4	56%	0.555	62%	0.621	S	S	*	*	H	α-helix	trans	-63.7	-40.6	175.6	-76	165.6	0	0	0	112.1	Q7 W8 V14 A15	Q7-L11 HydrophobicContact CG-CD1 4.46Å; Q7-L11 WeakPolarHBondContact O-CG 3.33Å; Q7-L11 PolarHBondContact O-N 3.39Å; W8-L11 PolarHBondContact O-N 3.43Å; L11-V14 PolarHBondContact O-N 2.97Å; L11-A15 VanDerWaalsContact O-CB 3.26Å; L11-A15 WeakPolarHBondContact O-CB 3.43Å; L11-A15 PolarHBondContact O-N 3.41Å
12	L	85.8	Confident	81	Confident	90 Å²	90	120.4 Å²	120.4	47%	0.471	59%	0.591	S	S	.	*	H	α-helix	trans	-64.4	-41.1	174.5	-79.8	166.7	0	0	0	112.5	W8 R9 A15 M16	W8-L12 HydrophobicContact CE3-CD1 3.74Å; W8-L12 HydrophobicContact CE3-CG 4.29Å; W8-L12 HydrophobicContact CZ3-CD1 4.06Å; W8-L12 WeakPolarHBondContact O-CB 3.29Å; W8-L12 WeakPolarHBondContact O-CG 3.32Å; W8-L12 PolarHBondContact O-N 3.14Å; R9-L12 PolarHBondContact O-N 3.27Å; L12-A15 PolarHBondContact O-N 3.3Å; L12-M16 WeakPolarHBondContact O-CB 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.27Å; L12-M16 PolarHBondContact O-N 3.2Å
13	L	87.7	Confident	82.7	Confident	110 Å²	110	116.7 Å²	116.7	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-67.1	-40.2	176.8	-74.2	170.2	0	0	0	111.9	R9 R10 M16 L17	R9-L13 WeakPolarHBondContact O-CB 3.28Å; R9-L13 VanDerWaalsContact O-CG 3.29Å; R9-L13 WeakPolarHBondContact O-CG 3.19Å; R9-L13 PolarHBondContact O-N 3.14Å; R10-L13 PolarHBondContact O-N 3.29Å; L13-M16 PolarHBondContact O-N 2.99Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 2.67Å
14	V	91.1	Very high	84.3	Confident	91 Å²	91	116 Å²	116	55%	0.552	56%	0.563	S	S	*	*	H	α-helix	trans	-65.2	-43.6	174	172.2	0	0	0	0	110.4	R10 L11 M16 L17 V18	R10-V14 VanDerWaalsContact O-CG2 3.29Å; R10-V14 WeakPolarHBondContact O-CG2 3.41Å; R10-V14 PolarHBondContact O-N 3.46Å; L11-V14 PolarHBondContact O-N 2.97Å; V14-M16 PolarHBondContact O-N 2.94Å; V14-L17 PolarHBondContact O-N 3.24Å; V14-V18 HydrophobicContact CG1-CG2 4.45Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.36Å; V14-V18 PolarHBondContact O-N 2.71Å
15	A	89.4	Confident	85.6	Confident	55 Å²	55	115.1 Å²	115.1	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-61.1	-43.7	176.3	0	0	0	0	0	111.7	L11 L12 L17 V18 W19	L11-A15 VanDerWaalsContact O-CB 3.26Å; L11-A15 WeakPolarHBondContact O-CB 3.43Å; L11-A15 PolarHBondContact O-N 3.41Å; L12-A15 PolarHBondContact O-N 3.3Å; A15-L17 PolarHBondContact O-N 3.18Å; A15-V18 PolarHBondContact O-N 3.17Å; A15-W19 WeakPolarHBondContact O-CB 3.37Å; A15-W19 PolarHBondContact O-N 2.91Å
16	M	89.4	Confident	86.6	Confident	112 Å²	112	113.7 Å²	113.7	55%	0.552	56%	0.555	S	S	*	*	H	α-helix	trans	-62.3	-41	174.2	-83	180	38.6	0	0	112.4	L12 L13 V14 W19 I20	L12-M16 WeakPolarHBondContact O-CB 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.27Å; L12-M16 PolarHBondContact O-N 3.2Å; L13-M16 PolarHBondContact O-N 2.99Å; V14-M16 PolarHBondContact O-N 2.94Å; M16-W19 WeakPolarHBondContact O-CB 3.48Å; M16-W19 PolarHBondContact O-N 3.49Å; M16-I20 VanDerWaalsContact O-CG1 3.25Å; M16-I20 WeakPolarHBondContact O-CG1 3.21Å; M16-I20 PolarHBondContact O-N 3.32Å
17	L	92.3	Very high	87.2	Confident	109 Å²	109	109.6 Å²	109.6	57%	0.571	54%	0.54	S	S	*	.	H	α-helix	trans	-69.2	-39.7	-179.2	-156.5	148.1	0	0	0	111.1	L13 V14 A15 W19 I20 L21	L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 2.67Å; V14-L17 PolarHBondContact O-N 3.24Å; A15-L17 PolarHBondContact O-N 3.18Å; L17-W19 VanDerWaalsContact C-N 3.32Å; L17-I20 PolarHBondContact O-N 3.48Å; L17-L21 HydrophobicContact CD2-CD1 3.79Å; L17-L21 HydrophobicContact CD2-CG 4.28Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.83Å
18	V	93.4	Very high	87.3	Confident	83 Å²	83	106.8 Å²	106.8	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-43.1	169.9	171.7	0	0	0	0	110.6	V14 A15 I20 L21 V22	V14-V18 HydrophobicContact CG1-CG2 4.45Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.36Å; V14-V18 PolarHBondContact O-N 2.71Å; A15-V18 PolarHBondContact O-N 3.17Å; V18-I20 PolarHBondContact O-N 3.14Å; V18-L21 PolarHBondContact O-N 2.74Å; V18-V22 HydrophobicContact CG1-CG2 4.43Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.41Å
19	W	92.6	Very high	87.6	Confident	185 Å²	185	105.9 Å²	105.9	70%	0.701	53%	0.532	S	S	*	.	H	α-helix	trans	-64.6	-39.8	178.6	-137.4	92.9	0	0	0	112.4	A15 M16 L17 V22 F23	A15-W19 WeakPolarHBondContact O-CB 3.37Å; A15-W19 PolarHBondContact O-N 2.91Å; M16-W19 WeakPolarHBondContact O-CB 3.48Å; M16-W19 PolarHBondContact O-N 3.49Å; L17-W19 VanDerWaalsContact C-N 3.32Å; W19-V22 PolarHBondContact O-N 3.43Å; W19-F23 HydrophobicContact CE3-CB 4.33Å; W19-F23 HydrophobicContact CZ3-CB 4.39Å; W19-F23 HydrophobicContact CZ3-CD2 4.36Å; W19-F23 VanDerWaalsContact O-CB 3.27Å; W19-F23 WeakPolarHBondContact O-CB 3.44Å; W19-F23 PolarHBondContact O-N 2.92Å
20	I	92.3	Very high	87.2	Confident	91 Å²	91	103.1 Å²	103.1	47%	0.467	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-42.1	175	-70.9	164.5	0	0	0	110.5	M16 L17 V18 F23 L24	M16-I20 VanDerWaalsContact O-CG1 3.25Å; M16-I20 WeakPolarHBondContact O-CG1 3.21Å; M16-I20 PolarHBondContact O-N 3.32Å; L17-I20 PolarHBondContact O-N 3.48Å; V18-I20 PolarHBondContact O-N 3.14Å; I20-F23 PolarHBondContact O-N 2.66Å; I20-L24 HydrophobicContact CG2-CD1 3.94Å; I20-L24 HydrophobicContact CG2-CG 4.38Å; I20-L24 WeakPolarHBondContact O-CB 3.49Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 2.8Å
21	L	92.3	Very high	87	Confident	103 Å²	103	99 Å²	99	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-66.3	-39.9	177.2	-71.2	173.5	0	0	0	112.2	L17 V18 L24 A25	L17-L21 HydrophobicContact CD2-CD1 3.79Å; L17-L21 HydrophobicContact CD2-CG 4.28Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.83Å; V18-L21 PolarHBondContact O-N 2.74Å; L21-L24 PolarHBondContact O-N 3.22Å; L21-A25 WeakPolarHBondContact O-CB 3.47Å; L21-A25 PolarHBondContact O-N 3.04Å
22	V	92	Very high	85.7	Confident	77 Å²	77	100 Å²	100	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-64.7	-43.1	173.4	170.4	0	0	0	0	110.7	V18 W19 A25 L26	V18-V22 HydrophobicContact CG1-CG2 4.43Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.41Å; W19-V22 PolarHBondContact O-N 3.43Å; V22-A25 PolarHBondContact O-N 3.42Å; V22-L26 HydrophobicContact CG1-CD1 3.91Å; V22-L26 HydrophobicContact CG1-CG 4.39Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 VanDerWaalsContact O-CG 3.3Å; V22-L26 WeakPolarHBondContact O-CG 3.18Å; V22-L26 PolarHBondContact O-N 3.46Å
23	F	91.4	Very high	84.3	Confident	109 Å²	109	98.5 Å²	98.5	48%	0.478	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-43.3	176.3	178.2	-96.4	0	0	0	111.7	W19 I20 L26 L27	W19-F23 HydrophobicContact CE3-CB 4.33Å; W19-F23 HydrophobicContact CZ3-CB 4.39Å; W19-F23 HydrophobicContact CZ3-CD2 4.36Å; W19-F23 VanDerWaalsContact O-CB 3.27Å; W19-F23 WeakPolarHBondContact O-CB 3.44Å; W19-F23 PolarHBondContact O-N 2.92Å; I20-F23 PolarHBondContact O-N 2.66Å; F23-L26 PolarHBondContact O-N 2.98Å; F23-L27 HydrophobicContact CE1-CD2 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.43Å; F23-L27 PolarHBondContact O-N 2.7Å
24	L	89.8	Confident	82.6	Confident	84 Å²	84	103.1 Å²	103.1	44%	0.44	53%	0.533	S	S	.	.	H	α-helix	trans	-66.7	-39.5	176.1	-72.2	172.2	0	0	0	111.6	I20 L21 L27 S28	I20-L24 HydrophobicContact CG2-CD1 3.94Å; I20-L24 HydrophobicContact CG2-CG 4.38Å; I20-L24 WeakPolarHBondContact O-CB 3.49Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 2.8Å; L21-L24 PolarHBondContact O-N 3.22Å; L24-L27 HydrophobicContact CD2-CD2 4.5Å; L24-L27 PolarHBondContact O-N 2.9Å; L24-S28 WeakPolarHBondContact O-CB 3.25Å; L24-S28 PolarHBondContact O-N 3.44Å; L24-S28 PolarHBondContact O-OG 3Å
25	A	87.4	Confident	80.7	Confident	61 Å²	61	104 Å²	104	50%	0.504	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-41.4	175	0	0	0	0	0	112.1	L21 V22 Y29	L21-A25 WeakPolarHBondContact O-CB 3.47Å; L21-A25 PolarHBondContact O-N 3.04Å; V22-A25 PolarHBondContact O-N 3.42Å; A25-Y29 WeakPolarHBondContact O-CB 3.37Å; A25-Y29 PolarHBondContact O-N 2.87Å
26	L	85.6	Confident	78.6	Confident	88 Å²	88	108.2 Å²	108.2	46%	0.461	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-42.2	174	-73	171.1	0	0	0	111.4	V22 F23 Y29 F30	V22-L26 HydrophobicContact CG1-CD1 3.91Å; V22-L26 HydrophobicContact CG1-CG 4.39Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 VanDerWaalsContact O-CG 3.3Å; V22-L26 WeakPolarHBondContact O-CG 3.18Å; V22-L26 PolarHBondContact O-N 3.46Å; F23-L26 PolarHBondContact O-N 2.98Å; L26-Y29 WeakPolarHBondContact O-CB 3.22Å; L26-Y29 PolarHBondContact O-N 3.14Å; L26-F30 WeakPolarHBondContact O-CB 3.49Å; L26-F30 WeakPolarHBondContact O-CD2 3.5Å; L26-F30 PolarHBondContact O-N 2.92Å
27	L	84.6	Confident	76	Confident	76 Å²	76	112.1 Å²	112.1	40%	0.398	57%	0.571	S	S	.	*	H	α-helix	trans	-62.7	-43.9	176.9	-175	68.2	0	0	0	110.8	F23 L24 F30 L31	F23-L27 HydrophobicContact CE1-CD2 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.43Å; F23-L27 PolarHBondContact O-N 2.7Å; L24-L27 HydrophobicContact CD2-CD2 4.5Å; L24-L27 PolarHBondContact O-N 2.9Å; L27-F30 PolarHBondContact O-N 2.81Å; L27-L31 HydrophobicContact CD1-CD1 4.44Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 2.83Å
28	S	77.8	Confident	73.2	Confident	70 Å²	70	111.8 Å²	111.8	49%	0.49	58%	0.577	S	S	.	*	H	α-helix	trans	-62.1	-44.8	173.1	-60.2	0	0	0	0	111.3	L24 F30 L31 D32	L24-S28 WeakPolarHBondContact O-CB 3.25Å; L24-S28 PolarHBondContact O-N 3.44Å; L24-S28 PolarHBondContact O-OG 3Å; S28-F30 VanDerWaalsContact C-N 3.33Å; S28-F30 PolarHBondContact O-N 2.83Å; S28-L31 PolarHBondContact O-N 3.3Å; S28-L31 VanDerWaalsContact O-N 3.13Å; S28-D32 WeakPolarHBondContact O-CB 3.39Å; S28-D32 PolarHBondContact O-N 3.13Å
29	Y	80.9	Confident	70.6	Confident	153 Å²	153	115.2 Å²	115.2	60%	0.6	59%	0.592	S	S	*	*	H	α-helix	trans	-58.7	-41.8	174.7	175.9	-100	0	0	0	112.1	A25 L26 L31 A33	A25-Y29 WeakPolarHBondContact O-CB 3.37Å; A25-Y29 PolarHBondContact O-N 2.87Å; L26-Y29 WeakPolarHBondContact O-CB 3.22Å; L26-Y29 PolarHBondContact O-N 3.14Å; Y29-L31 VanDerWaalsContact C-N 3.33Å; Y29-L31 PolarHBondContact O-N 3.37Å; Y29-A33 WeakPolarHBondContact O-CB 3.48Å; Y29-A33 PolarHBondContact O-N 3.43Å
30	F	71.3	Confident	67.9	Low	120 Å²	120	112.9 Å²	112.9	53%	0.526	60%	0.598	S	S	.	*	H	α-helix	trans	-75.3	-17.3	177	-80.7	-66.6	0	0	0	114.5	L26 L27 S28 R34	L26-F30 WeakPolarHBondContact O-CB 3.49Å; L26-F30 WeakPolarHBondContact O-CD2 3.5Å; L26-F30 PolarHBondContact O-N 2.92Å; L27-F30 PolarHBondContact O-N 2.81Å; S28-F30 VanDerWaalsContact C-N 3.33Å; S28-F30 PolarHBondContact O-N 2.83Å; F30-R34 WeakPolarHBondContact O-CG 3.45Å; F30-R34 PolarHBondContact O-NE 2.89Å
31	L	75.1	Confident	64.9	Low	107 Å²	107	114 Å²	114	56%	0.56	61%	0.614	S	S	*	*	H	α-helix	trans	-89.1	-35.9	173.5	-71	170.3	0	0	0	111.4	L27 S28 Y29	L27-L31 HydrophobicContact CD1-CD1 4.44Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 2.83Å; S28-L31 PolarHBondContact O-N 3.3Å; S28-L31 VanDerWaalsContact O-N 3.13Å; Y29-L31 VanDerWaalsContact C-N 3.33Å; Y29-L31 PolarHBondContact O-N 3.37Å
32	D	58.7	Low	61.9	Low	127 Å²	127	116.4 Å²	116.4	68%	0.679	63%	0.633	S	S	*	*	H	α-helix	trans	-75.5	-37.7	173.6	-110.2	-7.8	0	0	0	112.1	S28 R34 V35	S28-D32 WeakPolarHBondContact O-CB 3.39Å; S28-D32 PolarHBondContact O-N 3.13Å; D32-R34 PolarHBondContact O-N 3.39Å; D32-V35 PolarHBondContact O-N 2.9Å
33	A	54.6	Low	58.8	Low	58 Å²	58	115.9 Å²	115.9	48%	0.479	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	1.1	175.2	0	0	0	0	0	113.6	Y29	Y29-A33 WeakPolarHBondContact O-CB 3.48Å; Y29-A33 PolarHBondContact O-N 3.43Å
34	R	52.1	Low	55.7	Low	206 Å²	206	116.5 Å²	116.5	78%	0.777	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	2.7	172.8	-70.7	-175.1	-166.3	-131.6	4.3	113.8	F30 D32	F30-R34 WeakPolarHBondContact O-CG 3.45Å; F30-R34 PolarHBondContact O-NE 2.89Å; D32-R34 PolarHBondContact O-N 3.39Å
35	V	50.9	Low	53.2	Low	109 Å²	109	119.9 Å²	119.9	66%	0.661	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-21.7	179.9	-178.6	0	0	0	0	113.1	D32	D32-V35 PolarHBondContact O-N 2.9Å
36	D	46.5	Very low	50.5	Low	145 Å²	145	124.9 Å²	124.9	78%	0.775	70%	0.696	S	S	*	*	S	Bend	trans	-131.2	82.5	176.1	-76.7	-39.5	0	0	0	111.4
37	E	33.9	Very low	48	Very low	194 Å²	194	125.9 Å²	125.9	91%	0.907	71%	0.71	S	S	*	*			trans	-169.3	131.5	138	-113.3	175.8	170.8	0	0	111.7
38	S	35.1	Very low	45.2	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	73%	0.733	S	S	*	*			trans	-83.8	152.7	176	49.2	0	0	0	0	111.2
39	L	38.3	Very low	43.3	Very low	156 Å²	156	137 Å²	137	82%	0.817	75%	0.752	S	S	*	*			trans	78.5	129.7	158.9	-85.6	134.3	0	0	0	120
40	T	35.8	Very low	41	Very low	136 Å²	136	135.4 Å²	135.4	83%	0.834	76%	0.761	S	S	*	*			trans	85.5	109.3	159.6	66.7	0	0	0	0	118.2
41	S	28.5	Very low	39.1	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	77%	0.774	S	S	*	*			trans	-150.3	114.1	160.5	-177	0	0	0	0	111.6
42	V	29.5	Very low	37.2	Very low	155 Å²	155	138.2 Å²	138.2	94%	0.939	79%	0.787	S	S	*	*			trans	-93.3	126.2	146.5	170.6	0	0	0	0	106.2
43	G	28	Very low	36	Very low	66 Å²	66	143.8 Å²	143.8	68%	0.68	80%	0.798	S	S	*	*			trans	98.7	95.2	154.7	0	0	0	0	0	117.6
44	S	25.8	Very low	35.1	Very low	122 Å²	122	152.2 Å²	152.2	85%	0.853	82%	0.818	S	S	*	*				-164.2	114.5	120.3	-171.9	0	0	0	0	110
45	L	37.2	Very low	34.2	Very low	154 Å²	154	151 Å²	151	81%	0.806	83%	0.826	S	S	*	*			trans	-70.9	164.2	170.9	-83.8	152.6	0	0	0	111.8
46	L	30.3	Very low	33.3	Very low	166 Å²	166	150.6 Å²	150.6	87%	0.869	83%	0.833	S	S	*	*			trans	80.1	102.9	156.4	-70.6	149.7	0	0	0	118.6
47	S	32.5	Very low	32.7	Very low	110 Å²	110	147.7 Å²	147.7	77%	0.769	83%	0.825	S	S	*	*			trans	135.7	85.8	134.9	177.5	0	0	0	0	111.5
48	Q	26.6	Very low	32.7	Very low	189 Å²	189	146.1 Å²	146.1	88%	0.883	82%	0.821	S	S	*	*			trans	-171.5	126.7	142.3	-105.1	162.4	12.1	0	0	111
49	H	37.1	Very low	32.6	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.875	83%	0.826	S	S	*	*			trans	-46.5	142.9	169.3	-84.8	-62.3	0	0	0	113.6
50	P	32.6	Very low	32.4	Very low	121 Å²	121	146.1 Å²	146.1	79%	0.786	82%	0.819	S	S	*	*			trans	-123.5	84.7	157.5	36.3	-20.5	0	0	0	110.8
51	D	33	Very low	32.2	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	81%	0.814	S	S	*	*			trans	-102.5	138.4	145	-98.4	-36.2	0	0	0	107
52	T	34.2	Very low	32.4	Very low	136 Å²	136	146.5 Å²	146.5	83%	0.834	82%	0.815	S	S	*	*	S	Bend	trans	84.3	59.7	-177.3	73.7	0	0	0	0	117.8
53	R	34.2	Very low	32.5	Very low	245 Å²	245	147.2 Å²	147.2	93%	0.925	81%	0.809	S	S	*	*			trans	-166.3	68.4	148.5	-112.1	176.8	-163.1	-175.9	5.6	113.4
54	R	34.7	Very low	32.6	Very low	235 Å²	235	152.6 Å²	152.6	89%	0.887	82%	0.816	S	S	*	*			trans	-152.1	64.3	158.6	-81.8	-155.5	177	-167.4	-1	111.6
55	L	33.3	Very low	33.1	Very low	180 Å²	180	156.1 Å²	156.1	94%	0.942	82%	0.819	S	S	*	*	S	Bend	trans	-125.6	13.5	165.3	-99.2	167.2	0	0	0	113.2
56	A	32.6	Very low	32.6	Very low	100 Å²	100	152.9 Å²	152.9	83%	0.826	81%	0.814	S	S	*	*	S	Bend	trans	-136	57.1	-180	0	0	0	0	0	111.8
57	S	33.8	Very low	32.4	Very low	85 Å²	85	151.4 Å²	151.4	59%	0.594	81%	0.812	S	S	*	*	S	Bend	trans	-148.9	4.5	164	61.4	0	0	0	0	114.8
58	I	33.7	Very low	32.2	Very low	160 Å²	160	156.7 Å²	156.7	82%	0.821	82%	0.821	S	S	*	*	S	Bend	trans	-96.7	-5	176.8	-63.5	177.2	0	0	0	112
59	Q	33.6	Very low	32.1	Very low	175 Å²	175	150.4 Å²	150.4	82%	0.818	81%	0.808	S	S	*	*	S	Bend	trans	-101.4	0.7	-178.3	-135.1	167.4	-7.7	0	0	114.6
60	A	33.6	Very low	31.7	Very low	82 Å²	82	149.1 Å²	149.1	68%	0.678	81%	0.806	S	S	*	*	S	Bend	trans	-101.5	-3.8	-174.2	0	0	0	0	0	115.4
61	S	31.9	Very low	31.5	Very low	102 Å²	102	154.1 Å²	154.1	71%	0.713	81%	0.809	S	S	*	*	S	Bend	trans	-95.3	-0.9	175.6	67.3	0	0	0	0	114.5
62	N	32.2	Very low	31.9	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	80%	0.803	S	S	*	*	S	Bend	trans	-110.9	15.4	-179.8	-93.7	-7	0	0	0	114.5
63	Q	31.3	Very low	31.7	Very low	170 Å²	170	153.5 Å²	153.5	79%	0.794	80%	0.801	S	S	*	*			trans	-124.8	10.6	-178.7	-93.8	-169	-16.7	0	0	116.5	H65	Q63-H65 PolarHBondContact O-N 3.44Å
64	Q	31.3	Very low	31.3	Very low	179 Å²	179	150.6 Å²	150.6	84%	0.836	80%	0.798	S	S	*	*	S	Bend	trans	-97.6	66.7	168.4	-78.7	-175.1	-22.6	0	0	111.4
65	H	35.9	Very low	30.9	Very low	197 Å²	197	143.7 Å²	143.7	91%	0.912	79%	0.791	S	S	*	*	S	Bend	trans	-165.7	72.8	148.9	-87.7	-54.2	0	0	0	108.9	Q63	Q63-H65 PolarHBondContact O-N 3.44Å
66	A	26.3	Very low	30.5	Very low	86 Å²	86	143.2 Å²	143.2	71%	0.711	79%	0.789	S	S	*	*			trans	-158.8	115.5	165.3	0	0	0	0	0	111.5
67	V	26.8	Very low	30.2	Very low	134 Å²	134	146.6 Å²	146.6	81%	0.812	79%	0.788	S	S	*	*			trans	80.5	102.7	150.7	-167.8	0	0	0	0	119.2
68	F	27.3	Very low	29.8	Very low	221 Å²	221	150.7 Å²	150.7	97%	0.969	80%	0.802	S	S	*	*				-137.6	115.7	126.7	-108.2	-81.5	0	0	0	108.9
69	G	25.1	Very low	29.5	Very low	58 Å²	58	148.1 Å²	148.1	60%	0.598	79%	0.793	S	S	*	*			trans	-122.2	143.6	162.2	0	0	0	0	0	107.9
70	L	28	Very low	29.2	Very low	161 Å²	161	146.4 Å²	146.4	84%	0.843	80%	0.795	S	S	*	*				-173.7	121.4	78.7	-85.9	146.2	0	0	0	108.5
71	R	28.1	Very low	28.9	Very low	226 Å²	226	147.8 Å²	147.8	85%	0.853	80%	0.796	S	S	*	*				83.4	156.6	101	-110.3	-169.1	173.1	-178.4	-2.6	116.6
72	P	42	Very low	28.6	Very low	103 Å²	103	153.1 Å²	153.1	67%	0.669	80%	0.801	S	S	*	*			cis	-142.4	172.4	0.4	43.2	-23.3	0	0	0	119.8
73	E	29.3	Very low	28.5	Very low	169 Å²	169	152.6 Å²	152.6	79%	0.79	80%	0.798	S	S	*	*			trans	63.8	120.8	153.7	-55.1	-131.8	142.2	0	0	122.7
74	Q	26.1	Very low	28.3	Very low	184 Å²	184	155 Å²	155	86%	0.86	80%	0.8	S	S	*	*				-172.9	145.1	88.6	-91	-178.9	-5.4	0	0	111.3
75	A	27.1	Very low	28.2	Very low	90 Å²	90	152.7 Å²	152.7	74%	0.744	79%	0.793	S	S	*	*			trans	-85.6	152	-172.3	0	0	0	0	0	113.3
76	L	25.6	Very low	28.1	Very low	171 Å²	171	152.6 Å²	152.6	90%	0.895	79%	0.79	S	S	*	*				-159.4	122.2	128.9	-128.3	96.4	0	0	0	110.3
77	Q	25	Very low	29.4	Very low	171 Å²	171	154.5 Å²	154.5	80%	0.799	80%	0.795	S	S	*	*			trans	-84.4	149	169.1	-74.4	175.7	-24	0	0	109.8
78	L	26.4	Very low	29.5	Very low	171 Å²	171	151.7 Å²	151.7	90%	0.895	79%	0.793	S	S	*	*			trans	-154.1	111.7	139.7	-104.5	154.5	0	0	0	109.4
79	T	25.9	Very low	30.9	Very low	105 Å²	105	147.3 Å²	147.3	64%	0.644	79%	0.787	S	S	*	*			trans	-89.3	142	174.2	-24.4	0	0	0	0	108.8
80	T	27	Very low	32.3	Very low	140 Å²	140	150.4 Å²	150.4	86%	0.859	80%	0.797	S	S	*	*			trans	-163.6	119.7	136.1	1.2	0	0	0	0	112.7
81	T	27.3	Very low	32.4	Very low	111 Å²	111	146.3 Å²	146.3	68%	0.681	79%	0.793	S	S	*	*			trans	-82.6	152.9	163.4	42.1	0	0	0	0	111.4
82	Y	27.1	Very low	33.5	Very low	213 Å²	213	141.9 Å²	141.9	84%	0.835	79%	0.794	S	S	*	*			trans	175.2	121.9	138.1	-93.3	-76	0	0	0	107.1
83	L	28.9	Very low	32.9	Very low	144 Å²	144	140.6 Å²	140.6	75%	0.754	80%	0.799	S	S	*	*				104.8	107.2	55.3	-119.7	155.7	0	0	0	113.2
84	R	28.5	Very low	33.7	Very low	220 Å²	220	138.4 Å²	138.4	83%	0.83	80%	0.799	S	S	*	*			trans	13.8	132.7	143.9	-142.3	-175.6	-160.9	160.6	4.2	121.3
85	D	29	Very low	33.9	Very low	132 Å²	132	134.5 Å²	134.5	71%	0.706	79%	0.793	S	S	*	*				174.4	140.3	105.4	-107.5	-20.9	0	0	0	118.3
86	K	33.7	Very low	33.9	Very low	194 Å²	194	136 Å²	136	84%	0.843	79%	0.793	S	S	*	*			trans	25.6	164.6	149.8	-79.1	-168.6	177.3	-179.1	0	128.8
87	P	53.5	Low	34.1	Very low	126 Å²	126	133.1 Å²	133.1	82%	0.818	79%	0.787	S	S	*	*			trans	-117.9	171.8	-162.3	42.7	-29.4	0	0	0	118.1
88	G	28.7	Very low	34.2	Very low	75 Å²	75	129.4 Å²	129.4	77%	0.773	78%	0.78	S	S	*	*			trans	169	147.5	162.3	0	0	0	0	0	117.3
89	P	57.1	Low	34.4	Very low	129 Å²	129	128.1 Å²	128.1	84%	0.838	77%	0.773	S	S	*	*			trans	-108.8	-160.2	-172.4	45.2	-35.4	0	0	0	113.6
90	P	54.3	Low	34.4	Very low	124 Å²	124	128.7 Å²	128.7	81%	0.805	78%	0.776	S	S	*	*			cis	-146.1	167.8	7.2	41.2	-19	0	0	0	121.4
91	G	29.6	Very low	34.4	Very low	74 Å²	74	127.6 Å²	127.6	76%	0.763	77%	0.774	S	S	*	*			trans	73.6	171.1	142.8	0	0	0	0	0	122.6
92	P	51.3	Low	34.3	Very low	134 Å²	134	130.8 Å²	130.8	87%	0.87	78%	0.781	S	S	*	*			cis	-139.2	156.1	-34.2	38.9	-20.7	0	0	0	117.3
93	G	28.8	Very low	34.2	Very low	76 Å²	76	126.7 Å²	126.7	78%	0.784	78%	0.779	S	S	*	*			trans	71.7	174.8	147.1	0	0	0	0	0	121.4
94	P	47	Very low	34.1	Very low	122 Å²	122	125.2 Å²	125.2	79%	0.792	78%	0.78	S	S	*	*				-132.1	-172.6	-53.7	39	-23.6	0	0	0	112.9
95	S	30.2	Very low	34	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	78%	0.784	S	S	*	*			trans	113.4	110.8	145.7	73.8	0	0	0	0	120.8
96	T	27.6	Very low	33.8	Very low	122 Å²	122	126.5 Å²	126.5	75%	0.748	79%	0.794	S	S	*	*				74	129.4	125.8	51	0	0	0	0	123.9
97	S	29.5	Very low	33.5	Very low	110 Å²	110	122 Å²	122	77%	0.769	79%	0.792	S	S	*	*			trans	76.2	145.5	138.7	74	0	0	0	0	116.9
98	S	27.4	Very low	32.1	Very low	93 Å²	93	121.8 Å²	121.8	65%	0.65	79%	0.794	S	S	*	*			cis	174.5	169.9	-13.4	46	0	0	0	0	104.9
99	I	30.3	Very low	32	Very low	144 Å²	144	127.1 Å²	127.1	74%	0.738	80%	0.799	S	S	*	*			trans	99.8	93.7	159	-55.5	166	0	0	0	116.4
100	T	26.6	Very low	30.5	Very low	117 Å²	117	125.8 Å²	125.8	72%	0.718	79%	0.792	S	S	*	*				23.6	131.9	126.5	55	0	0	0	0	120.4
101	S	26.1	Very low	29.3	Very low	116 Å²	116	125.9 Å²	125.9	81%	0.811	79%	0.793	S	S	*	*				179.3	165.6	95.3	-70.6	0	0	0	0	112.1
102	E	25.6	Very low	29.1	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	80%	0.797	S	S	*	*			trans	-76	170.2	-155.7	-61.3	162.7	137.7	0	0	117.5
103	T	24.6	Very low	27.9	Very low	128 Å²	128	132.5 Å²	132.5	79%	0.785	79%	0.793	S	S	*	*			trans	97.2	103.1	143.9	-23.9	0	0	0	0	117.4
104	S	26.5	Very low	27.7	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	79%	0.792	S	S	*	*				174	136.3	107	54.9	0	0	0	0	111.2
105	M	26.9	Very low	26.7	Very low	186 Å²	186	139.2 Å²	139.2	92%	0.916	80%	0.795	S	S	*	*			trans	-55.8	136.3	170.5	-65.5	177.3	130.1	0	0	111.6
106	E	24.6	Very low	26.4	Very low	193 Å²	193	137.9 Å²	137.9	90%	0.902	80%	0.797	S	S	*	*			trans	-161.2	126.4	138.9	-116.5	169.9	-175.9	0	0	110.6	S108	E106-S108 PolarHBondContact O-N 3.49Å
107	A	26.9	Very low	26.3	Very low	98 Å²	98	137.7 Å²	137.7	81%	0.81	80%	0.801	S	S	*	*			trans	-75.2	117.8	178.4	0	0	0	0	0	109.7
108	S	24.7	Very low	26.1	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	81%	0.809	S	S	*	*			trans	-95.2	107.3	171	38.8	0	0	0	0	110.3	E106	E106-S108 PolarHBondContact O-N 3.49Å
109	Q	26.2	Very low	26.1	Very low	187 Å²	187	146.9 Å²	146.9	87%	0.874	82%	0.821	S	S	*	*			trans	-59.8	136.3	175	-69.4	164.8	-28.1	0	0	111.6
110	S	26.5	Very low	26	Very low	100 Å²	100	145 Å²	145	70%	0.699	83%	0.827	S	S	*	*			trans	-62.2	148	165.3	-62.8	0	0	0	0	111.2	Y112	S110-Y112 PolarHBondContact O-N 3.45Å; S110-Y112 VanDerWaalsContact O-N 3.09Å
111	P	27.8	Very low	25.8	Very low	126 Å²	126	142.8 Å²	142.8	82%	0.818	83%	0.828	S	S	*	*			trans	-75.5	105.6	-177.7	29.2	-31	0	0	0	110.6	V113	P111-V113 PolarHBondContact O-N 3.25Å
112	Y	25.2	Very low	25.7	Very low	215 Å²	215	146.6 Å²	146.6	84%	0.843	83%	0.832	S	S	*	*			trans	-69.2	120	158.7	-90.4	-93.8	0	0	0	108.7	S110 T114	S110-Y112 PolarHBondContact O-N 3.45Å; S110-Y112 VanDerWaalsContact O-N 3.09Å; Y112-T114 PolarHBondContact O-N 3.5Å
113	V	26.3	Very low	25.7	Very low	132 Å²	132	146.2 Å²	146.2	80%	0.8	83%	0.831	S	S	*	*			trans	-79.8	101.8	165.8	177.8	0	0	0	0	107.5	P111	P111-V113 PolarHBondContact O-N 3.25Å
114	T	24.1	Very low	25.7	Very low	122 Å²	122	149.8 Å²	149.8	75%	0.748	84%	0.838	S	S	*	*			trans	-76.4	119.6	173.3	-54.2	0	0	0	0	109.5	Y112 G116	Y112-T114 PolarHBondContact O-N 3.5Å; T114-G116 PolarHBondContact O-N 3.37Å
115	Y	26.3	Very low	25.7	Very low	218 Å²	218	153.9 Å²	153.9	86%	0.855	84%	0.838	S	S	*	*			trans	-67	112.1	165.3	-96.6	-94.7	0	0	0	108.9
116	G	23.8	Very low	25.6	Very low	74 Å²	74	151.4 Å²	151.4	76%	0.763	83%	0.828	S	S	*	*			trans	-79.3	119.5	172.1	0	0	0	0	0	110.9	T114	T114-G116 PolarHBondContact O-N 3.37Å
117	S	26.4	Very low	25.7	Very low	119 Å²	119	149.2 Å²	149.2	83%	0.832	82%	0.822	S	S	*	*			trans	-80	129	168.2	-49.5	0	0	0	0	110.1
118	Q	24.9	Very low	25.8	Very low	202 Å²	202	148.1 Å²	148.1	94%	0.944	81%	0.807	S	S	*	*			trans	-128.4	107	160	-93.1	-175.3	-23.5	0	0	108.9
119	E	27.4	Very low	26.2	Very low	193 Å²	193	150.6 Å²	150.6	90%	0.902	81%	0.805	S	S	*	*			trans	-91.7	152.1	155.2	-74	179.6	154.6	0	0	107.4
120	A	28.3	Very low	26.4	Very low	105 Å²	105	146.1 Å²	146.1	87%	0.868	79%	0.794	S	S	*	*			cis	-170.8	162.7	-7.4	0	0	0	0	0	108.8
121	G	22.7	Very low	26.7	Very low	71 Å²	71	148.8 Å²	148.8	73%	0.732	80%	0.8	S	S	*	*			trans	121.3	121.8	161.6	0	0	0	0	0	113.9
122	H	24.3	Very low	26.6	Very low	195 Å²	195	145.5 Å²	145.5	90%	0.903	78%	0.783	S	S	*	*			cis	-154.2	152.7	13.6	-109.3	-63.7	0	0	0	111.4
123	Q	25	Very low	26.7	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	76%	0.763	S	S	*	*			trans	-54.6	140.9	179.1	-111.3	113.3	-33.5	0	0	117.9
124	E	24.5	Very low	27.2	Very low	203 Å²	203	134.1 Å²	134.1	95%	0.949	74%	0.735	S	S	*	*				-157.8	148.9	123.3	-124.4	175.1	-174.2	0	0	111.4
125	Y	26.4	Very low	27.5	Very low	199 Å²	199	130.2 Å²	130.2	78%	0.78	71%	0.713	S	S	*	*			trans	-99.3	127.6	-147.4	-157	-117.7	0	0	0	111.5
126	L	24.3	Very low	27.6	Very low	134 Å²	134	121.1 Å²	121.1	70%	0.702	68%	0.681	S	S	*	*				169.5	119	100.9	-85.7	164.3	0	0	0	110.4
127	D	28	Very low	27.8	Very low	146 Å²	146	124.5 Å²	124.5	78%	0.781	68%	0.675	S	S	*	*			trans	-160.1	88.5	135.2	-172.6	24.1	0	0	0	110.6
128	P	27.6	Very low	27.9	Very low	75 Å²	75	121 Å²	121	49%	0.487	66%	0.657	S	S	.	*			trans	-94.8	116.2	172.8	30.5	-21.3	0	0	0	109.4	S130	P128-S130 WeakPolarHBondContact O-CA 3.39Å; P128-S130 WeakPolarHBondContact O-CB 3.06Å; P128-S130 PolarHBondContact O-N 3.39Å
129	Q	33.8	Very low	28.1	Very low	176 Å²	176	117.4 Å²	117.4	82%	0.822	65%	0.65	S	S	*	*				38.6	40.6	130	-67.1	-179.3	-27	0	0	116.5	L131	Q129-L131 PolarHBondContact O-N 2.88Å
130	S	29.9	Very low	28.1	Very low	92 Å²	92	117 Å²	117	64%	0.643	65%	0.648	S	S	*	*			trans	-79.6	98.9	-167.1	43.3	0	0	0	0	108.3	P128	P128-S130 WeakPolarHBondContact O-CA 3.39Å; P128-S130 WeakPolarHBondContact O-CB 3.06Å; P128-S130 PolarHBondContact O-N 3.39Å
131	L	32.7	Very low	28.1	Very low	157 Å²	157	119.8 Å²	119.8	82%	0.822	65%	0.648	S	S	*	*	S	Bend	trans	104.6	5	151.8	-54.7	162.6	0	0	0	119.3	Q129	Q129-L131 PolarHBondContact O-N 2.88Å
132	A	27	Very low	28.3	Very low	57 Å²	57	123.3 Å²	123.3	47%	0.471	66%	0.655	S	S	.	*			trans	-112.7	4.8	-170	0	0	0	0	0	118.6	Y236	A132-Y236 VanDerWaalsContact C-OH 3.3Å; A132-Y236 WeakPolarHBondContact CA-OH 3.33Å; A132-Y236 HydrophobicContact CB-CE1 4.05Å; A132-Y236 PolarHBondContact O-OH 3.04Å
133	A	26.2	Very low	28.2	Very low	51 Å²	51	117.2 Å²	117.2	42%	0.421	65%	0.645	S	S	.	*			trans	-136.1	110.9	177	0	0	0	0	0	111.6
134	W	37.5	Very low	28.3	Very low	57 Å²	57	114.3 Å²	114.3	22%	0.216	64%	0.644	C	S	.	*			trans	-96.8	163.1	176.2	-74.4	42.6	0	0	0	110.6	L229 D487 A489 A494	W134-L229 HydrophobicContact CH2-CD2 4.44Å; W134-D487 HydrophobicContact CE3-CB 4.46Å; W134-D487 HydrophobicContact CH2-CB 4.37Å; W134-D487 WeakPolarHBondContact CH2-OD1 3.5Å; W134-D487 WeakPolarHBondContact CH2-OD2 3.46Å; W134-D487 HydrophobicContact CZ3-CB 3.74Å; W134-D487 WeakPolarHBondContact CZ3-OD1 3.31Å; W134-D487 WeakPolarHBondContact CZ3-OD2 3.39Å; W134-A489 HydrophobicContact CE3-CB 3.78Å; W134-A489 HydrophobicContact CH2-CB 3.22Å; W134-A489 HydrophobicContact CZ2-CB 4.22Å; W134-A489 HydrophobicContact CZ3-CB 2.96Å; W134-A494 HydrophobicContact CD2-CB 4.21Å; W134-A494 HydrophobicContact CE3-CB 4.43Å; W134-A494 HydrophobicContact CH2-CB 4.25Å; W134-A494 HydrophobicContact CZ2-CB 4.08Å; W134-A494 HydrophobicContact CZ3-CB 4.44Å
135	S	30.6	Very low	28.3	Very low	39 Å²	39	113.2 Å²	113.2	27%	0.273	64%	0.638	S	S	.	*	S	Bend	trans	80.3	42.3	163.6	71.3	0	0	0	0	119.6
136	S	29.1	Very low	28.6	Very low	28 Å²	28	108.4 Å²	108.4	20%	0.196	63%	0.634	C	S	.	*			trans	-162.1	34.3	164.4	58.5	0	0	0	0	115.4	G138 Q360	S136-G138 PolarHBondContact O-N 3.38Å; S136-Q360 PolarHBondContact OG-OE1 2.81Å
137	F	27.5	Very low	28.8	Very low	144 Å²	144	108.2 Å²	108.2	63%	0.632	63%	0.634	S	S	*	*			trans	-93.4	92.7	175.1	-72.8	-73.2	0	0	0	112.1
138	G	28.5	Very low	28.7	Very low	45 Å²	45	106.5 Å²	106.5	46%	0.464	63%	0.628	S	S	.	*			trans	-77.4	109.5	150.7	0	0	0	0	0	109.4	S136 K366	S136-G138 PolarHBondContact O-N 3.38Å; G138-K366 PolarHBondContact O-NZ 2.89Å
139	T	29.2	Very low	29	Very low	127 Å²	127	106.2 Å²	106.2	78%	0.779	63%	0.633	S	S	*	*			trans	-98.1	116	160.2	54.8	0	0	0	0	108.1
140	E	27.6	Very low	29.1	Very low	186 Å²	186	102.5 Å²	102.5	87%	0.869	62%	0.622	S	S	*	*			trans	-63.3	149.1	164.9	-79.5	-177	133.7	0	0	111.3
141	N	28.6	Very low	29.1	Very low	162 Å²	162	104.7 Å²	104.7	87%	0.866	62%	0.621	S	S	*	*			trans	-21.1	120.1	172.8	-68.1	-41.6	0	0	0	117
142	V	26.1	Very low	29	Very low	146 Å²	146	100.4 Å²	100.4	89%	0.885	61%	0.605	S	S	*	*			trans	-110.5	111.1	145	-177.7	0	0	0	0	107.4
143	G	23.2	Very low	29.6	Very low	67 Å²	67	106.9 Å²	106.9	69%	0.691	62%	0.617	S	S	*	*			trans	54.9	98.4	150	0	0	0	0	0	118.2	H145	G143-H145 PolarHBondContact O-N 2.94Å; G143-H145 VanDerWaalsContact O-N 3.16Å
144	S	26.8	Very low	30.1	Very low	110 Å²	110	110.3 Å²	110.3	77%	0.769	63%	0.625	S	S	*	*			trans	-44.9	113.2	155.9	152.8	0	0	0	0	112.3
145	H	24.7	Very low	29.7	Very low	179 Å²	179	116.6 Å²	116.6	83%	0.829	65%	0.648	S	S	*	*			trans	-120.3	117.5	135.4	-81.8	-72.4	0	0	0	108	G143 D147	G143-H145 PolarHBondContact O-N 2.94Å; G143-H145 VanDerWaalsContact O-N 3.16Å; H145-D147 PolarHBondContact O-N 3.46Å
146	S	31.7	Very low	29.7	Very low	99 Å²	99	121 Å²	121	69%	0.692	67%	0.666	S	S	*	*			trans	-62.9	99.9	177	49.1	0	0	0	0	110.5	T148	S146-T148 PolarHBondContact O-N 2.88Å
147	D	28	Very low	29.9	Very low	130 Å²	130	127.9 Å²	127.9	70%	0.695	69%	0.689	S	S	*	*			trans	-76.9	101.2	166.4	-91.3	-29.4	0	0	0	109.7	H145 A149 V150	H145-D147 PolarHBondContact O-N 3.46Å; D147-A149 PolarHBondContact O-N 3.04Å; D147-V150 PolarHBondContact O-N 2.89Å
148	T	27.3	Very low	30.1	Very low	109 Å²	109	127.8 Å²	127.8	67%	0.669	69%	0.691	S	S	*	*	H	α-helix	trans	-56.5	-4	173.6	27	0	0	0	0	114.7	S146 S152	S146-T148 PolarHBondContact O-N 2.88Å; T148-S152 PolarHBondContact O-OG 3.32Å
149	A	33.1	Very low	30.2	Very low	70 Å²	70	132.1 Å²	132.1	58%	0.579	70%	0.703	S	S	*	*	H	α-helix	trans	-81.4	-21.7	176.5	0	0	0	0	0	114	D147 S152	D147-A149 PolarHBondContact O-N 3.04Å; A149-S152 WeakPolarHBondContact CA-OG 3.38Å; A149-S152 PolarHBondContact O-OG 2.72Å; A149-S152 VanDerWaalsContact O-OG 3.12Å
150	V	35.3	Very low	30.2	Very low	98 Å²	98	133.6 Å²	133.6	59%	0.594	70%	0.701	S	S	*	*	H	α-helix	trans	-87.1	-39.9	-179.3	-177.8	0	0	0	0	111.3	D147 S152 R153 E154	D147-V150 PolarHBondContact O-N 2.89Å; V150-S152 VanDerWaalsContact C-N 3.28Å; V150-S152 PolarHBondContact O-N 3.08Å; V150-R153 PolarHBondContact O-N 2.86Å; V150-E154 PolarHBondContact O-N 2.93Å
151	Q	31.3	Very low	30.7	Very low	137 Å²	137	131.4 Å²	131.4	64%	0.64	69%	0.694	S	S	*	*	H	α-helix	trans	-66	-27.1	175.2	-93.4	178.6	-16.6	0	0	113.8	R153 R155	Q151-R153 VanDerWaalsContact C-N 3.33Å; Q151-R155 PolarHBondContact O-N 3.38Å
152	S	30.9	Very low	30.8	Very low	68 Å²	68	127.1 Å²	127.1	48%	0.476	69%	0.688	S	S	.	*	H	α-helix	trans	-73.2	-26.9	177.1	34.9	0	0	0	0	112.3	T148 A149 V150 M156	T148-S152 PolarHBondContact O-OG 3.32Å; A149-S152 WeakPolarHBondContact CA-OG 3.38Å; A149-S152 PolarHBondContact O-OG 2.72Å; A149-S152 VanDerWaalsContact O-OG 3.12Å; V150-S152 VanDerWaalsContact C-N 3.28Å; V150-S152 PolarHBondContact O-N 3.08Å; S152-M156 PolarHBondContact O-N 2.9Å
153	R	38.3	Very low	31	Very low	193 Å²	193	124.3 Å²	124.3	73%	0.728	68%	0.68	S	S	*	*	H	α-helix	trans	-80.1	-32	177.3	-147.8	172.2	-174.8	177.5	0.3	112.6	V150 Q151 M156 Y157	V150-R153 PolarHBondContact O-N 2.86Å; Q151-R153 VanDerWaalsContact C-N 3.33Å; R153-M156 PolarHBondContact O-N 3.39Å; R153-Y157 PolarHBondContact O-N 3.27Å
154	E	36.4	Very low	31.3	Very low	123 Å²	123	127.6 Å²	127.6	58%	0.575	69%	0.687	S	S	*	*	H	α-helix	trans	-66.7	-38.5	172.7	-73.6	179.8	154.3	0	0	112.4	V150 M156 Y157 Q158	V150-E154 PolarHBondContact O-N 2.93Å; E154-M156 PolarHBondContact O-N 2.67Å; E154-Y157 PolarHBondContact O-N 3.12Å; E154-Q158 PolarHBondContact O-N 2.92Å
155	R	29.4	Very low	31.4	Very low	188 Å²	188	131.6 Å²	131.6	71%	0.709	69%	0.693	S	S	*	*	H	α-helix	trans	-67.2	-32.8	174.7	-88.5	-173.6	-175.7	-174.1	2.3	113.8	Q151 Q158 N159	Q151-R155 PolarHBondContact O-N 3.38Å; R155-Q158 PolarHBondContact O-N 3.3Å; R155-N159 PolarHBondContact O-N 3.46Å; R155-N159 VanDerWaalsContact O-N 3.14Å
156	M	31.1	Very low	31.4	Very low	132 Å²	132	133.7 Å²	133.7	65%	0.65	70%	0.695	S	S	*	*	H	α-helix	trans	-68.7	-34.4	176.4	-95.7	-176.2	75.8	0	0	112.4	S152 R153 E154 Q160	S152-M156 PolarHBondContact O-N 2.9Å; R153-M156 PolarHBondContact O-N 3.39Å; E154-M156 PolarHBondContact O-N 2.67Å; M156-Q160 PolarHBondContact O-N 2.68Å
157	Y	32.5	Very low	31.3	Very low	173 Å²	173	138.1 Å²	138.1	68%	0.678	71%	0.705	S	S	*	*	H	α-helix	trans	-72.3	-32.8	176.5	-105.1	-88.6	0	0	0	113.1	R153 E154	R153-Y157 PolarHBondContact O-N 3.27Å; E154-Y157 PolarHBondContact O-N 3.12Å
158	Q	32.9	Very low	31.2	Very low	142 Å²	142	135.6 Å²	135.6	66%	0.664	71%	0.709	S	S	*	*	H	α-helix	trans	-72.4	-35	173.8	-82.4	171	-36.2	0	0	112.9	E154 R155 Q160 I161	E154-Q158 PolarHBondContact O-N 2.92Å; R155-Q158 PolarHBondContact O-N 3.3Å; Q158-Q160 VanDerWaalsContact C-N 3.35Å; Q158-Q160 PolarHBondContact O-N 2.9Å; Q158-I161 PolarHBondContact O-N 3.35Å
159	N	28.9	Very low	31	Very low	136 Å²	136	134.2 Å²	134.2	73%	0.727	72%	0.716	S	S	*	*	H	α-helix	trans	-75.7	-18	-179.4	-83.6	-7.4	0	0	0	114.4	R155	R155-N159 PolarHBondContact O-N 3.46Å; R155-N159 VanDerWaalsContact O-N 3.14Å
160	Q	30.9	Very low	30.9	Very low	158 Å²	158	139.5 Å²	139.5	74%	0.738	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-6.5	175.4	-90.2	-177.5	-24.2	0	0	114.5	M156 Q158	M156-Q160 PolarHBondContact O-N 2.68Å; Q158-Q160 VanDerWaalsContact C-N 3.35Å; Q158-Q160 PolarHBondContact O-N 2.9Å
161	I	37.1	Very low	30.6	Very low	140 Å²	140	142 Å²	142	72%	0.718	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-7.8	178.5	-57.9	176.7	0	0	0	111.6	Q158 A163	Q158-I161 PolarHBondContact O-N 3.35Å; I161-A163 PolarHBondContact O-N 3.48Å
162	G	30.1	Very low	30.4	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	75%	0.75	S	S	*	*	S	Bend	trans	-85.8	5.3	-175.9	0	0	0	0	0	117
163	A	32.1	Very low	30.5	Very low	88 Å²	88	150.5 Å²	150.5	73%	0.727	77%	0.771	S	S	*	*			trans	-137.8	67	-173.3	0	0	0	0	0	113.5	I161	I161-A163 PolarHBondContact O-N 3.48Å
164	T	29.2	Very low	30	Very low	135 Å²	135	148 Å²	148	83%	0.828	77%	0.772	S	S	*	*			trans	-145.4	114.4	149.9	29.2	0	0	0	0	110
165	H	28.2	Very low	29.8	Very low	195 Å²	195	145 Å²	145	90%	0.903	77%	0.774	S	S	*	*			trans	-60.6	133.8	177.8	-122.7	-58.8	0	0	0	111.1	H167	H165-H167 PolarHBondContact O-N 2.78Å
166	Y	25.8	Very low	29.6	Very low	222 Å²	222	146.7 Å²	146.7	87%	0.871	78%	0.781	S	S	*	*			trans	-64.6	125	164.5	-92.6	-97.8	0	0	0	110.4
167	H	27.8	Very low	29.5	Very low	193 Å²	193	149 Å²	149	89%	0.894	79%	0.79	S	S	*	*			trans	-141.5	124.2	148.7	-123.2	-47.1	0	0	0	108.7	H165	H165-H167 PolarHBondContact O-N 2.78Å
168	G	26.3	Very low	29.4	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	80%	0.8	S	S	*	*			trans	-77.3	157.4	-179.8	0	0	0	0	0	113.5
169	G	24.4	Very low	29.3	Very low	79 Å²	79	150.2 Å²	150.2	81%	0.814	81%	0.807	S	S	*	*			trans	-178.2	119.8	169.6	0	0	0	0	0	108.9
170	E	29	Very low	29.4	Very low	181 Å²	181	151.8 Å²	151.8	85%	0.846	82%	0.816	S	S	*	*			trans	-66.6	147.3	169	-64.2	168.8	150.5	0	0	109.6
171	D	29.2	Very low	29.3	Very low	150 Å²	150	152.3 Å²	152.3	80%	0.802	82%	0.822	S	S	*	*			trans	165.3	126.2	131.8	-79.7	-22.1	0	0	0	113.1
172	E	27.8	Very low	28.8	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.883	83%	0.829	S	S	*	*			trans	47.1	147	139.1	-59.3	-165.2	161.3	0	0	125
173	E	33.3	Very low	28.9	Very low	196 Å²	196	156.7 Å²	156.7	92%	0.916	83%	0.831	S	S	*	*			trans	-57.1	143.1	179.2	-63.4	175.8	138.9	0	0	114.1
174	D	26.6	Very low	28.6	Very low	140 Å²	140	162.1 Å²	162.1	75%	0.749	84%	0.839	S	S	*	*				-156.6	140.6	127.2	-154.3	3.8	0	0	0	111.4
175	G	32.3	Very low	28.6	Very low	60 Å²	60	163.4 Å²	163.4	62%	0.619	84%	0.839	S	S	*	*			trans	-76.6	138.5	177.5	0	0	0	0	0	111.7
176	R	26.4	Very low	28.5	Very low	223 Å²	223	165.4 Å²	165.4	84%	0.842	84%	0.839	S	S	*	*			trans	-154.1	130	157	-120.3	169.9	-93.3	-169.2	-4.1	111.3
177	E	29.6	Very low	28.8	Very low	181 Å²	181	161.5 Å²	161.5	85%	0.846	84%	0.838	S	S	*	*			trans	-63.4	122.4	179.1	-63.1	173.2	149.4	0	0	110.7	Q179	E177-Q179 PolarHBondContact O-N 3.17Å
178	D	30.2	Very low	28.9	Very low	167 Å²	167	157.4 Å²	157.4	89%	0.893	84%	0.837	S	S	*	*			trans	-84.2	112.9	171.4	-87.8	-28.7	0	0	0	110.1
179	Q	30.1	Very low	29	Very low	173 Å²	173	157.4 Å²	157.4	81%	0.808	84%	0.838	S	S	*	*			trans	-74.8	132.5	169.1	-70.6	176.1	13	0	0	110.3	E177 L181	E177-Q179 PolarHBondContact O-N 3.17Å; Q179-L181 PolarHBondContact O-N 3.43Å; Q179-L181 VanDerWaalsContact O-N 3.17Å
180	D	30.6	Very low	29.3	Very low	169 Å²	169	161.6 Å²	161.6	90%	0.904	84%	0.841	S	S	*	*			trans	-55.7	111	174	-77.5	-44.9	0	0	0	111.8
181	L	29.5	Very low	29.2	Very low	169 Å²	169	156.4 Å²	156.4	89%	0.885	84%	0.836	S	S	*	*			trans	-96.8	101.6	167.5	-80	162.4	0	0	0	109.8	Q179	Q179-L181 PolarHBondContact O-N 3.43Å; Q179-L181 VanDerWaalsContact O-N 3.17Å
182	E	27.1	Very low	29.2	Very low	181 Å²	181	160 Å²	160	85%	0.846	84%	0.838	S	S	*	*			trans	-66.5	134.5	162.9	-76.1	-170.8	146.5	0	0	110.8	K184	E182-K184 PolarHBondContact O-N 3.04Å
183	P	30.7	Very low	29.5	Very low	122 Å²	122	157.7 Å²	157.7	79%	0.792	84%	0.837	S	S	*	*			trans	-83.2	115.4	170.5	29.4	-26.2	0	0	0	110.8	I185	P183-I185 PolarHBondContact O-N 3.08Å
184	K	26.7	Very low	29.5	Very low	202 Å²	202	152.5 Å²	152.5	88%	0.878	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-60	120.4	168.6	-81.6	177.2	174.9	172.7	0	111.1	E182 R186	E182-K184 PolarHBondContact O-N 3.04Å; K184-R186 PolarHBondContact O-N 3.37Å
185	I	29.3	Very low	29.9	Very low	162 Å²	162	147.8 Å²	147.8	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.3	118.9	169	-63.5	173.1	0	0	0	108.8	P183	P183-I185 PolarHBondContact O-N 3.08Å
186	R	26.6	Very low	30	Very low	238 Å²	238	153.4 Å²	153.4	90%	0.898	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-91.5	127	166.2	-77.3	-177.5	172	175.6	-1.7	109.1	K184	K184-R186 PolarHBondContact O-N 3.37Å
187	T	31.1	Very low	30.6	Very low	140 Å²	140	147.4 Å²	147.4	86%	0.859	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-78.3	129.2	170.1	33.1	0	0	0	0	110.8
188	A	29.5	Very low	30.9	Very low	106 Å²	106	142.1 Å²	142.1	88%	0.876	81%	0.806	S	S	*	*			trans	-149.6	133	157.2	0	0	0	0	0	108.3
189	G	28.8	Very low	31.3	Very low	78 Å²	78	139.7 Å²	139.7	80%	0.804	79%	0.794	S	S	*	*			trans	-94.7	159.5	-166	0	0	0	0	0	116.1
190	D	30.5	Very low	31.9	Very low	167 Å²	167	136.4 Å²	136.4	89%	0.893	78%	0.781	S	S	*	*			trans	67.6	129.5	145.4	-145.4	9.6	0	0	0	121.7
191	G	26.6	Very low	32.5	Very low	71 Å²	71	134 Å²	134	73%	0.732	77%	0.765	S	S	*	*			trans	154.6	75.4	177	0	0	0	0	0	114.8
192	R	30.8	Very low	32.9	Very low	226 Å²	226	131 Å²	131	85%	0.853	75%	0.749	S	S	*	*			trans	-14.6	141.8	157.3	-77.2	173.2	174.1	167.9	-2.2	115.6
193	T	32.8	Very low	33.6	Very low	140 Å²	140	128.3 Å²	128.3	86%	0.859	73%	0.732	S	S	*	*			cis	-178.7	142.1	35.4	13.6	0	0	0	0	108.3
194	G	34.4	Very low	34	Very low	88 Å²	88	127.1 Å²	127.1	91%	0.907	71%	0.713	S	S	*	*			trans	107	91.8	161.4	0	0	0	0	0	115.4
195	G	34.4	Very low	34.9	Very low	41 Å²	41	122.2 Å²	122.2	42%	0.423	69%	0.691	S	S	.	*			trans	-177.3	29	178.8	0	0	0	0	0	117.6	S197	G195-S197 VanDerWaalsContact C-N 3.3Å; G195-S197 PolarHBondContact O-N 3.17Å
196	E	34.4	Very low	36	Very low	177 Å²	177	117.8 Å²	117.8	83%	0.827	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-13.1	-172.6	-79	-175.9	151.4	0	0	115.6
197	S	40	Very low	37.5	Very low	97 Å²	97	110.7 Å²	110.7	68%	0.678	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-30.7	179.8	-171.5	0	0	0	0	114.1	G195	G195-S197 VanDerWaalsContact C-N 3.3Å; G195-S197 PolarHBondContact O-N 3.17Å
198	S	34.5	Very low	39	Very low	70 Å²	70	104.7 Å²	104.7	49%	0.49	61%	0.612	S	S	.	*	H	α-helix	trans	-76.1	-40.1	-177.4	-170	0	0	0	0	111.6	L200 E201 D202	S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 3.37Å; S198-E201 PolarHBondContact O-N 2.01Å; S198-D202 PolarHBondContact O-N 2.93Å; S198-D202 VanDerWaalsContact O-N 3.09Å
199	D	40	Very low	40.9	Very low	117 Å²	117	101.6 Å²	101.6	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-69.5	-27.5	-176.1	-68.8	-20.9	0	0	0	112.4	Y203	D199-Y203 WeakPolarHBondContact O-CB 3.27Å; D199-Y203 PolarHBondContact O-N 2.88Å
200	L	42.3	Very low	43.3	Very low	103 Å²	103	100.2 Å²	100.2	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-74.1	-43.3	177.4	-107.4	141.4	0	0	0	111.7	S198 Y204	S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 3.37Å; L200-Y204 HydrophobicContact CD2-CD2 4.16Å; L200-Y204 HydrophobicContact CD2-CE2 3.79Å; L200-Y204 WeakPolarHBondContact O-CB 3.4Å; L200-Y204 VanDerWaalsContact O-CD2 3.24Å; L200-Y204 WeakPolarHBondContact O-CD2 3.38Å; L200-Y204 PolarHBondContact O-N 2.85Å
201	E	42.3	Very low	45.7	Very low	120 Å²	120	92.4 Å²	92.4	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-64.9	-49.4	174.3	-87.5	-174	143.8	0	0	111.4	S198 Y203 Y204 F205	S198-E201 PolarHBondContact O-N 2.01Å; E201-Y203 VanDerWaalsContact C-N 3.25Å; E201-Y203 PolarHBondContact O-N 2.95Å; E201-Y204 PolarHBondContact O-N 2.78Å; E201-Y204 VanDerWaalsContact O-N 3.08Å; E201-F205 HydrophobicContact CB-CD2 4.27Å; E201-F205 HydrophobicContact CB-CE2 4.3Å; E201-F205 WeakPolarHBondContact O-CD2 3.36Å; E201-F205 PolarHBondContact O-N 2.79Å
202	D	38	Very low	48.4	Very low	105 Å²	105	89.1 Å²	89.1	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-61.1	-35.1	179.2	-80.2	-26.2	0	0	0	112.2	S198 S206	S198-D202 PolarHBondContact O-N 2.93Å; S198-D202 VanDerWaalsContact O-N 3.09Å; D202-S206 WeakPolarHBondContact O-CB 3.32Å; D202-S206 PolarHBondContact O-N 3.15Å
203	Y	41.1	Very low	51.1	Low	124 Å²	124	86.3 Å²	86.3	49%	0.486	48%	0.478	S	S	.	.	H	α-helix	trans	-66.4	-43.5	173.2	-173.5	-99.7	0	0	0	113	D199 E201 S206 R207	D199-Y203 WeakPolarHBondContact O-CB 3.27Å; D199-Y203 PolarHBondContact O-N 2.88Å; E201-Y203 VanDerWaalsContact C-N 3.25Å; E201-Y203 PolarHBondContact O-N 2.95Å; Y203-S206 PolarHBondContact O-N 2.65Å; Y203-S206 PolarHBondContact O-OG 2.86Å; Y203-R207 PolarHBondContact O-N 2.77Å; Y203-R207 PolarHBondContact OH-NE 3.14Å; Y203-R207 PolarHBondContact OH-NH2 2.96Å
204	Y	39.5	Very low	53.8	Low	98 Å²	98	85.8 Å²	85.8	38%	0.384	46%	0.46	S	S	.	.	H	α-helix	trans	-67.3	-41.4	177.3	-93.9	-98.7	0	0	0	112.1	L200 E201 S206 R207 S208	L200-Y204 HydrophobicContact CD2-CD2 4.16Å; L200-Y204 HydrophobicContact CD2-CE2 3.79Å; L200-Y204 WeakPolarHBondContact O-CB 3.4Å; L200-Y204 VanDerWaalsContact O-CD2 3.24Å; L200-Y204 WeakPolarHBondContact O-CD2 3.38Å; L200-Y204 PolarHBondContact O-N 2.85Å; E201-Y204 PolarHBondContact O-N 2.78Å; E201-Y204 VanDerWaalsContact O-N 3.08Å; Y204-S206 VanDerWaalsContact C-N 3.35Å; Y204-S206 PolarHBondContact O-N 2.72Å; Y204-R207 PolarHBondContact O-N 3.25Å; Y204-S208 PolarHBondContact O-N 3.05Å
205	F	46.5	Very low	56.4	Low	99 Å²	99	81.6 Å²	81.6	43%	0.434	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-35.9	175	-81.4	-69.7	0	0	0	112.2	E201 R207 S208 A209	E201-F205 HydrophobicContact CB-CD2 4.27Å; E201-F205 HydrophobicContact CB-CE2 4.3Å; E201-F205 WeakPolarHBondContact O-CD2 3.36Å; E201-F205 PolarHBondContact O-N 2.79Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 2.89Å; F205-S208 PolarHBondContact O-OG 2.88Å; F205-A209 PolarHBondContact O-N 2.82Å
206	S	52.7	Low	59.1	Low	69 Å²	69	80.8 Å²	80.8	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-32.9	176	87	0	0	0	0	112.9	D202 Y203 Y204 S210	D202-S206 WeakPolarHBondContact O-CB 3.32Å; D202-S206 PolarHBondContact O-N 3.15Å; Y203-S206 PolarHBondContact O-N 2.65Å; Y203-S206 PolarHBondContact O-OG 2.86Å; Y204-S206 VanDerWaalsContact C-N 3.35Å; Y204-S206 PolarHBondContact O-N 2.72Å; S206-S210 PolarHBondContact O-N 3.34Å
207	R	56.6	Low	61.7	Low	88 Å²	88	78.7 Å²	78.7	33%	0.332	39%	0.389	S	S	.	.	H	α-helix	trans	-74.2	-40.6	-179.4	-77.3	-170.1	173.7	-141.4	4.2	112.4	Y203 Y204 F205 A209 S210 V211	Y203-R207 PolarHBondContact O-N 2.77Å; Y203-R207 PolarHBondContact OH-NE 3.14Å; Y203-R207 PolarHBondContact OH-NH2 2.96Å; Y204-R207 PolarHBondContact O-N 3.25Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 2.89Å; R207-A209 VanDerWaalsContact C-N 3.34Å; R207-A209 PolarHBondContact O-N 2.81Å; R207-S210 WeakPolarHBondContact O-CB 3.02Å; R207-S210 PolarHBondContact O-N 3.06Å; R207-S210 VanDerWaalsContact O-N 3.17Å; R207-S210 PolarHBondContact O-OG 3Å; R207-V211 WeakPolarHBondContact O-CG2 3.34Å; R207-V211 PolarHBondContact O-N 3.1Å
208	S	62.6	Low	63.8	Low	15 Å²	15	75.4 Å²	75.4	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-41.5	175.9	60.5	0	0	0	0	111.2	Y204 F205 S210 V211 V212	Y204-S208 PolarHBondContact O-N 3.05Å; F205-S208 PolarHBondContact O-OG 2.88Å; S208-S210 VanDerWaalsContact C-N 3.33Å; S208-S210 PolarHBondContact O-N 3.22Å; S208-V211 PolarHBondContact O-N 3.21Å; S208-V212 WeakPolarHBondContact O-CG2 3.42Å; S208-V212 PolarHBondContact O-N 3.31Å
209	A	70.1	Confident	66.3	Low	41 Å²	41	77.8 Å²	77.8	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-39	172.5	0	0	0	0	0	112.8	F205 R207 V212 R213	F205-A209 PolarHBondContact O-N 2.82Å; R207-A209 VanDerWaalsContact C-N 3.34Å; R207-A209 PolarHBondContact O-N 2.81Å; A209-V212 PolarHBondContact O-N 2.76Å; A209-R213 WeakPolarHBondContact O-CG 3.31Å; A209-R213 PolarHBondContact O-N 3.07Å
210	S	78.3	Confident	68.6	Low	49 Å²	49	72.8 Å²	72.8	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-65	-38.4	175.5	84.9	0	0	0	0	112.8	S206 R207 S208 R213 R214	S206-S210 PolarHBondContact O-N 3.34Å; R207-S210 WeakPolarHBondContact O-CB 3.02Å; R207-S210 PolarHBondContact O-N 3.06Å; R207-S210 VanDerWaalsContact O-N 3.17Å; R207-S210 PolarHBondContact O-OG 3Å; S208-S210 VanDerWaalsContact C-N 3.33Å; S208-S210 PolarHBondContact O-N 3.22Å; S210-R213 PolarHBondContact O-N 2.81Å; S210-R214 WeakPolarHBondContact O-CG 2.98Å; S210-R214 PolarHBondContact O-N 2.81Å; S210-R214 VanDerWaalsContact O-N 3.14Å
211	V	82.9	Confident	70.8	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-45.4	176.9	178.1	0	0	0	0	109.9	R207 S208 R213 R214 L215 M224 L492 L499	R207-V211 WeakPolarHBondContact O-CG2 3.34Å; R207-V211 PolarHBondContact O-N 3.1Å; S208-V211 PolarHBondContact O-N 3.21Å; V211-R213 VanDerWaalsContact C-N 3.35Å; V211-R213 PolarHBondContact O-N 3.4Å; V211-R214 CarbonylContact O-C 3.57Å; V211-R214 PolarHBondContact O-N 3.39Å; V211-R214 VanDerWaalsContact O-N 3.07Å; V211-L215 HydrophobicContact CG1-CD1 4.3Å; V211-L215 HydrophobicContact CG1-CG 4.44Å; V211-L215 PolarHBondContact O-N 3.47Å; V211-M224 HydrophobicContact CG2-CB 3.86Å; V211-M224 HydrophobicContact CG2-CE 4.2Å; V211-M224 WeakPolarHBondContact CG2-O 3.35Å; V211-L492 HydrophobicContact CG1-CD2 3.79Å; V211-L499 HydrophobicContact CG1-CD1 4.43Å
212	V	82.6	Confident	73	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.018	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-42.1	177.5	172	0	0	0	0	111.9	S208 A209 R214 L215 W216 P471 Q475	S208-V212 WeakPolarHBondContact O-CG2 3.42Å; S208-V212 PolarHBondContact O-N 3.31Å; A209-V212 PolarHBondContact O-N 2.76Å; V212-R214 VanDerWaalsContact C-N 3.28Å; V212-R214 PolarHBondContact O-N 2.96Å; V212-L215 WeakPolarHBondContact O-CB 3.19Å; V212-L215 PolarHBondContact O-N 2.98Å; V212-L215 VanDerWaalsContact O-N 3.13Å; V212-W216 HydrophobicContact CG1-CD2 4.35Å; V212-W216 HydrophobicContact CG1-CH2 4.15Å; V212-W216 HydrophobicContact CG1-CZ2 3.46Å; V212-W216 VanDerWaalsContact CG1-CZ2 3.46Å; V212-W216 PolarHBondContact O-N 3.18Å; V212-P471 HydrophobicContact CG1-CB 4.27Å; V212-P471 HydrophobicContact CG2-CB 4.3Å; V212-P471 HydrophobicContact CG2-CG 4.19Å; V212-Q475 HydrophobicContact CG2-CB 4.3Å; V212-Q475 HydrophobicContact CG2-CG 3.81Å
213	R	86.1	Confident	75.4	Confident	167 Å²	167	62.5 Å²	62.5	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-60.5	-36.9	173.7	-71.7	176	-173.3	-173	3.1	112.7	A209 S210 V211 W216	A209-R213 WeakPolarHBondContact O-CG 3.31Å; A209-R213 PolarHBondContact O-N 3.07Å; S210-R213 PolarHBondContact O-N 2.81Å; V211-R213 VanDerWaalsContact C-N 3.35Å; V211-R213 PolarHBondContact O-N 3.4Å; R213-W216 HydrophobicContact CB-CE3 4.42Å; R213-W216 HydrophobicContact CG-CE3 4.16Å; R213-W216 HydrophobicContact CG-CZ3 3.83Å
214	R	90.1	Very high	77.7	Confident	128 Å²	128	58.7 Å²	58.7	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-74.5	-32.6	174.7	-68.7	-63.3	-172.8	136.8	-1.6	112.4	S210 V211 V212 W216 K217 G218 H219 A220 M224	S210-R214 WeakPolarHBondContact O-CG 2.98Å; S210-R214 PolarHBondContact O-N 2.81Å; S210-R214 VanDerWaalsContact O-N 3.14Å; V211-R214 CarbonylContact O-C 3.57Å; V211-R214 PolarHBondContact O-N 3.39Å; V211-R214 VanDerWaalsContact O-N 3.07Å; V212-R214 VanDerWaalsContact C-N 3.28Å; V212-R214 PolarHBondContact O-N 2.96Å; R214-W216 VanDerWaalsContact C-N 3.34Å; R214-K217 CarbonylContact O-C 3.49Å; R214-K217 WeakPolarHBondContact O-CA 3.47Å; R214-K217 PolarHBondContact O-N 2.78Å; R214-K217 VanDerWaalsContact O-N 3.07Å; R214-G218 PolarHBondContact O-N 3.39Å; R214-H219 PolarHBondContact O-N 3.35Å; R214-A220 HydrophobicContact CB-CB 4.38Å; R214-M224 HydrophobicContact CB-CE 3.86Å; R214-M224 HydrophobicContact CB-SD 3.96Å; R214-M224 HydrophobicContact CG-CE 3.34Å; R214-M224 HydrophobicContact CG-SD 3.81Å
215	L	89.8	Confident	80.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-43.4	172.1	-78.2	171.5	0	0	0	110.9	V211 V212 K217 G218 A220 L492 L499 K502 I503 Q506	V211-L215 HydrophobicContact CG1-CD1 4.3Å; V211-L215 HydrophobicContact CG1-CG 4.44Å; V211-L215 PolarHBondContact O-N 3.47Å; V212-L215 WeakPolarHBondContact O-CB 3.19Å; V212-L215 PolarHBondContact O-N 2.98Å; V212-L215 VanDerWaalsContact O-N 3.13Å; L215-K217 PolarHBondContact O-N 3.22Å; L215-G218 PolarHBondContact O-N 3.18Å; L215-A220 HydrophobicContact CD2-CB 3.6Å; L215-A220 HydrophobicContact CG-CB 3.84Å; L215-L492 HydrophobicContact CD1-CD2 4.22Å; L215-L499 HydrophobicContact CD2-CD1 4.05Å; L215-K502 HydrophobicContact CD1-CD 4.34Å; L215-K502 HydrophobicContact CD2-CB 4.02Å; L215-I503 HydrophobicContact CD2-CG1 4.04Å; L215-Q506 WeakPolarHBondContact O-CG 3.42Å
216	W	90.8	Very high	82.3	Confident	25 Å²	25	50.3 Å²	50.3	10%	0.095	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-25.8	173.9	-60	-27.7	0	0	0	113.7	V212 R213 R214 P471 M473 Q506 R517	V212-W216 HydrophobicContact CG1-CD2 4.35Å; V212-W216 HydrophobicContact CG1-CH2 4.15Å; V212-W216 HydrophobicContact CG1-CZ2 3.46Å; V212-W216 VanDerWaalsContact CG1-CZ2 3.46Å; V212-W216 PolarHBondContact O-N 3.18Å; R213-W216 HydrophobicContact CB-CE3 4.42Å; R213-W216 HydrophobicContact CG-CE3 4.16Å; R213-W216 HydrophobicContact CG-CZ3 3.83Å; R214-W216 VanDerWaalsContact C-N 3.34Å; W216-P471 PolarHBondContact NE1-O 3.36Å; W216-M473 HydrophobicContact CH2-CG 3.73Å; W216-M473 HydrophobicContact CZ2-CG 4.29Å; W216-Q506 PolarHBondContact O-NE2 2.83Å; W216-R517 HydrophobicContact CD2-CG 3.87Å; W216-R517 HydrophobicContact CE3-CG 3.67Å; W216-R517 HydrophobicContact CH2-CG 4.07Å; W216-R517 HydrophobicContact CZ2-CG 4.22Å; W216-R517 HydrophobicContact CZ3-CG 3.78Å
217	K	88.4	Confident	84.2	Confident	133 Å²	133	49.5 Å²	49.5	58%	0.578	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-4.3	175.6	-63	-174.2	179.6	-171.5	0	113.1	R214 L215 H219	R214-K217 CarbonylContact O-C 3.49Å; R214-K217 WeakPolarHBondContact O-CA 3.47Å; R214-K217 PolarHBondContact O-N 2.78Å; R214-K217 VanDerWaalsContact O-N 3.07Å; L215-K217 PolarHBondContact O-N 3.22Å; K217-H219 VanDerWaalsContact C-N 3.3Å; K217-H219 PolarHBondContact O-CD2 3.04Å; K217-H219 PolarHBondContact O-N 3.02Å; K217-H219 PolarHBondContact O-NE2 3.48Å
218	G	85.6	Confident	86	Confident	27 Å²	27	49.8 Å²	49.8	28%	0.278	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	19.4	-175.6	0	0	0	0	0	114.6	R214 L215	R214-G218 PolarHBondContact O-N 3.39Å; L215-G218 PolarHBondContact O-N 3.18Å
219	H	86.8	Confident	87.3	Confident	121 Å²	121	49.1 Å²	49.1	56%	0.56	26%	0.261	S	S	*	.			trans	-114.8	21.9	-171.5	-60.8	170	0	0	0	113.6	R214 K217	R214-H219 PolarHBondContact O-N 3.35Å; K217-H219 VanDerWaalsContact C-N 3.3Å; K217-H219 PolarHBondContact O-CD2 3.04Å; K217-H219 PolarHBondContact O-N 3.02Å; K217-H219 PolarHBondContact O-NE2 3.48Å
220	A	87.6	Confident	88.5	Confident	11 Å²	11	50.8 Å²	50.8	9%	0.091	26%	0.262	C	S	.	.			trans	-78	151.7	178.7	0	0	0	0	0	111.5	R214 L215 L499 I503	R214-A220 HydrophobicContact CB-CB 4.38Å; L215-A220 HydrophobicContact CD2-CB 3.6Å; L215-A220 HydrophobicContact CG-CB 3.84Å; A220-L499 HydrophobicContact CB-CD1 4.03Å; A220-I503 HydrophobicContact CB-CD1 4.17Å; A220-I503 HydrophobicContact CB-CG1 4.3Å; A220-I503 WeakPolarHBondContact O-CD1 3.37Å
221	S	89	Confident	89.3	Confident	43 Å²	43	55.7 Å²	55.7	30%	0.301	27%	0.273	S	S	.	.			trans	-144.8	162.3	175.9	70	0	0	0	0	111.3	G223 M224	S221-G223 PolarHBondContact O-N 2.04Å; S221-M224 WeakPolarHBondContact O-CB 3.31Å; S221-M224 PolarHBondContact O-N 3.26Å
222	A	88.8	Confident	89.8	Confident	14 Å²	14	56.4 Å²	56.4	12%	0.116	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59.8	-30.6	179.6	0	0	0	0	0	112.7	M224 L225 M233 Y500	A222-M224 PolarHBondContact O-N 3.13Å; A222-M224 VanDerWaalsContact O-N 3.14Å; A222-L225 HydrophobicContact CB-CD1 4.39Å; A222-L225 VanDerWaalsContact O-CB 3.29Å; A222-L225 WeakPolarHBondContact O-CB 3.37Å; A222-L225 WeakPolarHBondContact O-CG 3.18Å; A222-L225 PolarHBondContact O-N 3Å; A222-M233 HydrophobicContact CB-CE 4.43Å; A222-M233 HydrophobicContact CB-SD 3.89Å; A222-Y500 WeakPolarHBondContact CB-OH 3.23Å
223	G	88.4	Confident	90.3	Very high	55 Å²	55	57 Å²	57	57%	0.567	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-62.7	-17.7	175.6	0	0	0	0	0	114.4	S221 Q230	S221-G223 PolarHBondContact O-N 2.04Å; G223-Q230 PolarHBondContact O-NE2 3.33Å
224	M	89.6	Confident	90.7	Very high	44 Å²	44	55.7 Å²	55.7	22%	0.217	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-84.7	-15	175.1	-62.9	-172.9	69.6	0	0	114	V211 R214 S221 A222	V211-M224 HydrophobicContact CG2-CB 3.86Å; V211-M224 HydrophobicContact CG2-CE 4.2Å; V211-M224 WeakPolarHBondContact CG2-O 3.35Å; R214-M224 HydrophobicContact CB-CE 3.86Å; R214-M224 HydrophobicContact CB-SD 3.96Å; R214-M224 HydrophobicContact CG-CE 3.34Å; R214-M224 HydrophobicContact CG-SD 3.81Å; S221-M224 WeakPolarHBondContact O-CB 3.31Å; S221-M224 PolarHBondContact O-N 3.26Å; A222-M224 PolarHBondContact O-N 3.13Å; A222-M224 VanDerWaalsContact O-N 3.14Å
225	L	90.2	Very high	91	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-66.2	160.2	-179.4	-63.4	176.4	0	0	0	111	A222 L229 Q230 L492 L499	A222-L225 HydrophobicContact CB-CD1 4.39Å; A222-L225 VanDerWaalsContact O-CB 3.29Å; A222-L225 WeakPolarHBondContact O-CB 3.37Å; A222-L225 WeakPolarHBondContact O-CG 3.18Å; A222-L225 PolarHBondContact O-N 3Å; L225-L229 HydrophobicContact CB-CB 4.06Å; L225-L229 HydrophobicContact CD1-CB 4.4Å; L225-L229 HydrophobicContact CD2-CD1 4.32Å; L225-Q230 HydrophobicContact CB-CG 3.92Å; L225-Q230 PolarHBondContact O-NE2 3.38Å; L225-L492 HydrophobicContact CD2-CB 3.88Å; L225-L492 HydrophobicContact CD2-CD1 4.23Å; L225-L499 HydrophobicContact CD1-CD2 4.16Å; L225-L499 HydrophobicContact CD2-CD1 4.41Å; L225-L499 HydrophobicContact CD2-CD2 4.2Å; L225-L499 HydrophobicContact CG-CD2 4.18Å
226	S	91.1	Very high	91.2	Very high	19 Å²	19	55.5 Å²	55.5	13%	0.133	29%	0.287	C	S	.	.			trans	-65.7	153.2	173.4	75.2	0	0	0	0	111	R228 L229 Q230	S226-R228 PolarHBondContact O-N 3.42Å; S226-R228 VanDerWaalsContact O-N 3.09Å; S226-L229 PolarHBondContact O-N 3Å; S226-L229 WeakPolarHBondContact OG-CG 3.04Å; S226-Q230 WeakPolarHBondContact O-CG 3.13Å; S226-Q230 PolarHBondContact O-N 3.35Å
227	P	93.1	Very high	91.4	Very high	53 Å²	53	57.4 Å²	57.4	34%	0.344	30%	0.298	S	S	.	.	H	α-helix	trans	-54.4	-33.1	179.7	-28	35.6	0	0	0	113.7	R231	P227-R231 WeakPolarHBondContact O-CG 3.2Å; P227-R231 PolarHBondContact O-N 3.3Å
228	R	93.4	Very high	91.8	Very high	93 Å²	93	55.4 Å²	55.4	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-46.8	174.7	-172.7	-175.3	67.3	115.8	5.4	111.8	S226 R231 A232 D487	S226-R228 PolarHBondContact O-N 3.42Å; S226-R228 VanDerWaalsContact O-N 3.09Å; R228-R231 PolarHBondContact O-N 2.9Å; R228-A232 PolarHBondContact O-N 2.92Å; R228-D487 IonicContact CZ-OD1 2.62Å; R228-D487 IonicContact CZ-OD2 3.41Å; R228-D487 IonicContact NH1-OD1 3.91Å; R228-D487 IonicContact NH1-OD2 3.5Å; R228-D487 PolarHBondContact NH1-OD2 3.37Å; R228-D487 IonicContact NH2-OD1 3.52Å; R228-D487 PolarHBondContact NH2-OD1 3.33Å; R228-D487 IonicContact NH2-OD2 2.79Å; R228-D487 PolarHBondContact NH2-OD2 2.6Å
229	L	91.7	Very high	92.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-71.7	-35.5	-179.5	-63.9	-172.4	0	0	0	112.4	W134 L225 S226 R231 A232 M233 A489 L492	W134-L229 HydrophobicContact CH2-CD2 4.44Å; L225-L229 HydrophobicContact CB-CB 4.06Å; L225-L229 HydrophobicContact CD1-CB 4.4Å; L225-L229 HydrophobicContact CD2-CD1 4.32Å; S226-L229 PolarHBondContact O-N 3Å; S226-L229 WeakPolarHBondContact OG-CG 3.04Å; L229-R231 VanDerWaalsContact C-N 3.33Å; L229-R231 PolarHBondContact O-N 3.38Å; L229-A232 PolarHBondContact O-N 3.21Å; L229-M233 WeakPolarHBondContact O-CB 3.42Å; L229-M233 PolarHBondContact O-N 3.17Å; L229-A489 HydrophobicContact CD1-CB 4.39Å; L229-A489 HydrophobicContact CD2-CB 3.3Å; L229-A489 HydrophobicContact CG-CB 4.47Å; L229-L492 HydrophobicContact CD1-CB 3.85Å; L229-L492 HydrophobicContact CD1-CD1 4.18Å
230	Q	93.6	Very high	92.8	Very high	77 Å²	77	53.8 Å²	53.8	36%	0.36	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-42.3	172.6	-65.6	-178.5	15.6	0	0	111.5	G223 L225 S226 K234	G223-Q230 PolarHBondContact O-NE2 3.33Å; L225-Q230 HydrophobicContact CB-CG 3.92Å; L225-Q230 PolarHBondContact O-NE2 3.38Å; S226-Q230 WeakPolarHBondContact O-CG 3.13Å; S226-Q230 PolarHBondContact O-N 3.35Å; Q230-K234 PolarHBondContact O-N 3.03Å
231	R	94.9	Very high	93.3	Very high	152 Å²	152	58.3 Å²	58.3	57%	0.574	32%	0.317	S	S	*	.	H	α-helix	trans	-62.7	-49.8	173.3	-76.3	-170.7	-66.5	-112.6	3.8	111.8	P227 R228 L229 M233 K234 D235	P227-R231 WeakPolarHBondContact O-CG 3.2Å; P227-R231 PolarHBondContact O-N 3.3Å; R228-R231 PolarHBondContact O-N 2.9Å; L229-R231 VanDerWaalsContact C-N 3.33Å; L229-R231 PolarHBondContact O-N 3.38Å; R231-M233 VanDerWaalsContact C-N 3.29Å; R231-M233 PolarHBondContact O-N 2.97Å; R231-K234 WeakPolarHBondContact O-CA 3.21Å; R231-K234 WeakPolarHBondContact O-CB 3.45Å; R231-K234 PolarHBondContact O-N 3.43Å; R231-D235 VanDerWaalsContact O-CG 3.24Å; R231-D235 PolarHBondContact O-N 3.17Å
232	A	93.7	Very high	93.6	Very high	17 Å²	17	56.9 Å²	56.9	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-44.4	178.1	0	0	0	0	0	112	R228 L229 K234 D235 Y236 A494	R228-A232 PolarHBondContact O-N 2.92Å; L229-A232 PolarHBondContact O-N 3.21Å; A232-K234 PolarHBondContact O-N 3.3Å; A232-D235 PolarHBondContact O-N 3.24Å; A232-Y236 WeakPolarHBondContact O-CD2 3.36Å; A232-Y236 PolarHBondContact O-N 2.7Å; A232-A494 HydrophobicContact CB-CB 4.39Å
233	M	93.1	Very high	94	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.069	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-47.1	174.6	177.8	175.2	177.8	0	0	111.7	A222 L229 R231 D235 Y236 M237 N441 Q443 Y500	A222-M233 HydrophobicContact CB-CE 4.43Å; A222-M233 HydrophobicContact CB-SD 3.89Å; L229-M233 WeakPolarHBondContact O-CB 3.42Å; L229-M233 PolarHBondContact O-N 3.17Å; R231-M233 VanDerWaalsContact C-N 3.29Å; R231-M233 PolarHBondContact O-N 2.97Å; M233-D235 VanDerWaalsContact C-N 3.31Å; M233-D235 PolarHBondContact O-N 2.88Å; M233-Y236 PolarHBondContact O-N 3.08Å; M233-M237 HydrophobicContact CE-SD 3.78Å; M233-M237 HydrophobicContact CG-CG 4.47Å; M233-M237 HydrophobicContact CG-SD 3.99Å; M233-M237 WeakPolarHBondContact O-CB 3.37Å; M233-M237 VanDerWaalsContact O-CG 3.22Å; M233-M237 WeakPolarHBondContact O-CG 3.44Å; M233-M237 PolarHBondContact O-N 3.12Å; M233-N441 WeakPolarHBondContact CE-O 3.4Å; M233-Q443 HydrophobicContact CG-CG 4.07Å; M233-Y500 HydrophobicContact CE-CE2 3.83Å; M233-Y500 WeakPolarHBondContact CE-OH 3.5Å
234	K	94.6	Very high	94.5	Very high	141 Å²	141	60.5 Å²	60.5	61%	0.613	31%	0.306	S	S	*	.	H	α-helix	trans	-60.9	-39.4	178.1	-173.6	-178.3	178.5	-177.1	0	112.4	Q230 R231 A232 M237 S238	Q230-K234 PolarHBondContact O-N 3.03Å; R231-K234 WeakPolarHBondContact O-CA 3.21Å; R231-K234 WeakPolarHBondContact O-CB 3.45Å; R231-K234 PolarHBondContact O-N 3.43Å; A232-K234 PolarHBondContact O-N 3.3Å; K234-M237 PolarHBondContact O-N 2.84Å; K234-S238 WeakPolarHBondContact O-CB 3.4Å; K234-S238 PolarHBondContact O-N 2.78Å; K234-S238 PolarHBondContact O-OG 2.92Å
235	D	96.3	Very high	94.7	Very high	104 Å²	104	65.7 Å²	65.7	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-46.8	179.5	-63.7	-22	0	0	0	110.5	R231 A232 M233 M237 S238 A239	R231-D235 VanDerWaalsContact O-CG 3.24Å; R231-D235 PolarHBondContact O-N 3.17Å; A232-D235 PolarHBondContact O-N 3.24Å; M233-D235 VanDerWaalsContact C-N 3.31Å; M233-D235 PolarHBondContact O-N 2.88Å; D235-M237 PolarHBondContact O-N 2.83Å; D235-S238 PolarHBondContact O-N 3.29Å; D235-A239 WeakPolarHBondContact O-CB 3.42Å; D235-A239 PolarHBondContact O-N 3.14Å
236	Y	95.4	Very high	95	Very high	19 Å²	19	67.9 Å²	67.9	8%	0.075	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-38.8	175.4	-74.8	-61.2	0	0	0	113.2	A132 A232 M233 S238 A239 N240 P444 N445 A494 Y495	A132-Y236 VanDerWaalsContact C-OH 3.3Å; A132-Y236 WeakPolarHBondContact CA-OH 3.33Å; A132-Y236 HydrophobicContact CB-CE1 4.05Å; A132-Y236 PolarHBondContact O-OH 3.04Å; A232-Y236 WeakPolarHBondContact O-CD2 3.36Å; A232-Y236 PolarHBondContact O-N 2.7Å; M233-Y236 PolarHBondContact O-N 3.08Å; Y236-S238 VanDerWaalsContact C-N 3.26Å; Y236-S238 PolarHBondContact O-N 3.03Å; Y236-A239 PolarHBondContact O-N 3.16Å; Y236-N240 PolarHBondContact O-N 3.05Å; Y236-P444 WeakPolarHBondContact O-CG 3.33Å; Y236-N445 WeakPolarHBondContact CD1-ND2 3.49Å; Y236-A494 VanDerWaalsContact CD2-O 3.24Å; Y236-A494 WeakPolarHBondContact CD2-O 3.34Å; Y236-A494 HydrophobicContact CE2-CB 4.29Å; Y236-Y495 HydrophobicContact CD1-CD2 4.17Å; Y236-Y495 AromaticContact CE1-CD2 3.59Å; Y236-Y495 HydrophobicContact CE1-CD2 3.59Å; Y236-Y495 HydrophobicContact CE1-CE2 4.39Å; Y236-Y495 HydrophobicContact CE1-CG 4.44Å; Y236-Y495 AromaticContact CZ-CD2 3.93Å
237	M	94.3	Very high	95.1	Very high	65 Å²	65	73.4 Å²	73.4	32%	0.32	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-37.6	175	-72	176.5	73.7	0	0	112.2	M233 K234 D235 N441	M233-M237 HydrophobicContact CE-SD 3.78Å; M233-M237 HydrophobicContact CG-CG 4.47Å; M233-M237 HydrophobicContact CG-SD 3.99Å; M233-M237 WeakPolarHBondContact O-CB 3.37Å; M233-M237 VanDerWaalsContact O-CG 3.22Å; M233-M237 WeakPolarHBondContact O-CG 3.44Å; M233-M237 PolarHBondContact O-N 3.12Å; K234-M237 PolarHBondContact O-N 2.84Å; D235-M237 PolarHBondContact O-N 2.83Å; M237-N441 HydrophobicContact CE-CB 3.42Å; M237-N441 VanDerWaalsContact CE-CB 3.42Å
238	S	96.6	Very high	95.1	Very high	91 Å²	91	72.3 Å²	72.3	64%	0.636	36%	0.363	S	S	*	.	H	α-helix	trans	-76	-36.7	-179.8	-57.2	0	0	0	0	111.5	K234 D235 Y236	K234-S238 WeakPolarHBondContact O-CB 3.4Å; K234-S238 PolarHBondContact O-N 2.78Å; K234-S238 PolarHBondContact O-OG 2.92Å; D235-S238 PolarHBondContact O-N 3.29Å; Y236-S238 VanDerWaalsContact C-N 3.26Å; Y236-S238 PolarHBondContact O-N 3.03Å
239	A	97.3	Very high	95	Very high	69 Å²	69	75.5 Å²	75.5	57%	0.57	38%	0.382	S	S	*	.	H	α-helix	trans	-66.9	-40.4	177.4	0	0	0	0	0	112.6	D235 Y236 K241	D235-A239 WeakPolarHBondContact O-CB 3.42Å; D235-A239 PolarHBondContact O-N 3.14Å; Y236-A239 PolarHBondContact O-N 3.16Å; A239-K241 PolarHBondContact O-N 3.31Å; A239-K241 VanDerWaalsContact O-N 3.12Å
240	N	96.9	Very high	95.1	Very high	46 Å²	46	80.2 Å²	80.2	25%	0.246	40%	0.399	C	S	.	.			trans	40.7	50.9	-178.8	-166.1	7.7	0	0	0	113.2	Y236 H242 H243 V244 P444	Y236-N240 PolarHBondContact O-N 3.05Å; N240-H242 PolarHBondContact O-N 3.23Å; N240-H243 PolarHBondContact O-N 3.18Å; N240-H243 PolarHBondContact OD1-N 3.17Å; N240-V244 PolarHBondContact ND2-O 3.03Å; N240-V244 PolarHBondContact OD1-N 3.06Å; N240-P444 HydrophobicContact CB-CG 4.11Å; N240-P444 VanDerWaalsContact OD1-CB 3.29Å; N240-P444 WeakPolarHBondContact OD1-CB 3.24Å
241	K	96.5	Very high	94.9	Very high	106 Å²	106	81.7 Å²	81.7	46%	0.461	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-37	-171.8	178.1	-178	174.7	-176.8	0	113	A239 D400	A239-K241 PolarHBondContact O-N 3.31Å; A239-K241 VanDerWaalsContact O-N 3.12Å; K241-D400 IonicContact NZ-OD1 2.58Å; K241-D400 PolarHBondContact NZ-OD1 2.9Å; K241-D400 IonicContact NZ-OD2 3.39Å; K241-D400 PolarHBondContact NZ-OD2 3.27Å
242	H	96.5	Very high	94.4	Very high	12 Å²	12	75 Å²	75	6%	0.056	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	7.2	-174.4	-58.7	-65.8	0	0	0	114	N240 V244 P385 Y388 W428 Y495	N240-H242 PolarHBondContact O-N 3.23Å; H242-V244 VanDerWaalsContact C-N 3.28Å; H242-V244 HydrophobicContact CB-CG2 4.16Å; H242-V244 PolarHBondContact O-N 3.07Å; H242-P385 VanDerWaalsContact CE1-CB 3.44Å; H242-P385 WeakPolarHBondContact CE1-CB 3.48Å; H242-Y388 WeakPolarHBondContact O-CB 3.36Å; H242-Y388 PolarHBondContact O-N 3.46Å; H242-Y388 VanDerWaalsContact O-N 3.07Å; H242-W428 HydrophobicContact CB-CH2 3.74Å; H242-W428 HydrophobicContact CB-CZ2 3.61Å; H242-W428 AromaticContact CG-CH2 3.97Å; H242-W428 AromaticContact CG-CZ2 3.8Å; H242-Y495 PolarHBondContact NE2-OH 3.49Å
243	H	97.1	Very high	94.1	Very high	131 Å²	131	79.8 Å²	79.8	61%	0.606	42%	0.416	S	S	*	.			trans	53.1	44.2	-178.3	-55	-71.5	0	0	0	112.9	N240 F245	N240-H243 PolarHBondContact O-N 3.18Å; N240-H243 PolarHBondContact OD1-N 3.17Å; H243-F245 PolarHBondContact O-N 3.11Å
244	V	97.8	Very high	94	Very high	14 Å²	14	81.1 Å²	81.1	9%	0.085	42%	0.422	C	S	.	.			trans	-66.3	128.2	178.8	-178.4	0	0	0	0	109.4	N240 H242 Y388 W428 W431 P444	N240-V244 PolarHBondContact ND2-O 3.03Å; N240-V244 PolarHBondContact OD1-N 3.06Å; H242-V244 VanDerWaalsContact C-N 3.28Å; H242-V244 HydrophobicContact CB-CG2 4.16Å; H242-V244 PolarHBondContact O-N 3.07Å; V244-Y388 HydrophobicContact CB-CD2 4.43Å; V244-Y388 HydrophobicContact CB-CG 4.26Å; V244-Y388 HydrophobicContact CG1-CD1 4.42Å; V244-Y388 HydrophobicContact CG1-CD2 4Å; V244-Y388 HydrophobicContact CG1-CE2 4.1Å; V244-Y388 HydrophobicContact CG1-CG 4.17Å; V244-Y388 HydrophobicContact CG2-CD2 4.16Å; V244-Y388 HydrophobicContact CG2-CG 4.17Å; V244-W428 HydrophobicContact CG2-CH2 3.72Å; V244-W428 HydrophobicContact CG2-CZ3 3.73Å; V244-W431 HydrophobicContact CG1-CE3 4.24Å; V244-W431 HydrophobicContact CG1-CH2 3.47Å; V244-W431 VanDerWaalsContact CG1-CH2 3.47Å; V244-W431 HydrophobicContact CG1-CZ2 3.86Å; V244-W431 HydrophobicContact CG1-CZ3 3.67Å; V244-P444 HydrophobicContact CB-CB 3.67Å; V244-P444 HydrophobicContact CG1-CB 4.38Å; V244-P444 HydrophobicContact CG2-CB 3.68Å; V244-P444 WeakPolarHBondContact CG2-O 3.42Å
245	F	95.8	Very high	94	Very high	154 Å²	154	77.9 Å²	77.9	68%	0.675	42%	0.417	S	S	*	.			trans	-133.1	95.6	172.8	-178.6	-99.9	0	0	0	109.3	H243 N247 Y388	H243-F245 PolarHBondContact O-N 3.11Å; F245-N247 HydrophobicContact CE1-CB 4.09Å; F245-Y388 VanDerWaalsContact O-CE1 3.28Å; F245-Y388 WeakPolarHBondContact O-CE1 3.29Å
246	Y	96.1	Very high	94	Very high	48 Å²	48	74.8 Å²	74.8	19%	0.188	41%	0.406	C	S	.	.			trans	-85.2	118.6	-178.8	-176.2	-102.5	0	0	0	111.3	G248 H249 W431 D432 Q435 S436	Y246-G248 WeakPolarHBondContact CE1-O 2.96Å; Y246-G248 VanDerWaalsContact CZ-CA 3.42Å; Y246-G248 WeakPolarHBondContact OH-CA 3.3Å; Y246-H249 PolarHBondContact OH-O 2.89Å; Y246-W431 AromaticContact CD2-CZ3 3.8Å; Y246-W431 HydrophobicContact CD2-CZ3 3.8Å; Y246-W431 HydrophobicContact CG-CZ3 4.07Å; Y246-D432 WeakPolarHBondContact CD2-OD1 3.45Å; Y246-D432 HydrophobicContact CE2-CB 4.22Å; Y246-Q435 HydrophobicContact CD1-CG 3.55Å; Y246-Q435 HydrophobicContact CD2-CB 4.36Å; Y246-Q435 HydrophobicContact CD2-CG 3.97Å; Y246-Q435 HydrophobicContact CE1-CG 3.79Å; Y246-Q435 HydrophobicContact CE2-CB 4.37Å; Y246-Q435 HydrophobicContact CE2-CG 4.19Å; Y246-Q435 HydrophobicContact CG-CB 4.49Å; Y246-Q435 HydrophobicContact CG-CG 3.63Å; Y246-S436 WeakPolarHBondContact OH-CA 3.08Å; Y246-S436 WeakPolarHBondContact OH-CB 2.95Å
247	N	93.5	Very high	94	Very high	134 Å²	134	79.1 Å²	79.1	72%	0.717	43%	0.425	S	S	*	.			trans	-113.7	6.5	177.3	65.9	-3.7	0	0	0	113.3	F245	F245-N247 HydrophobicContact CE1-CB 4.09Å
248	G	91.4	Very high	94.1	Very high	31 Å²	31	77.7 Å²	77.7	32%	0.32	42%	0.424	S	S	.	.	S	Bend	trans	-75.6	166.8	-179.1	0	0	0	0	0	113.8	Y246	Y246-G248 WeakPolarHBondContact CE1-O 2.96Å; Y246-G248 VanDerWaalsContact CZ-CA 3.42Å; Y246-G248 WeakPolarHBondContact OH-CA 3.3Å
249	H	92	Very high	94.1	Very high	160 Å²	160	73.4 Å²	73.4	74%	0.741	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-83.6	131.9	178.7	-66.4	82.5	0	0	0	111.3	Y246	Y246-H249 PolarHBondContact OH-O 2.89Å
250	R	93.3	Very high	94.1	Very high	99 Å²	99	70.8 Å²	70.8	37%	0.374	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-79.7	129.2	173.7	-66.2	-177.8	-174.4	178.5	5.9	111.3	S436 T438 Q439 N441	R250-S436 CarbonylContact C-O 3.6Å; R250-S436 WeakPolarHBondContact CA-O 3.05Å; R250-T438 WeakPolarHBondContact CD-O 3.15Å; R250-Q439 PolarHBondContact NH1-O 2.97Å; R250-N441 PolarHBondContact NH1-OD1 3.27Å; R250-N441 PolarHBondContact NH2-OD1 2.93Å
251	K	90.9	Very high	94.1	Very high	108 Å²	108	69.9 Å²	69.9	47%	0.47	37%	0.367	S	S	.	.			trans	-128.6	48.7	178.8	-55.7	-176.8	-177.5	174.7	0	110.5	S253 Q254 S436	K251-S253 PolarHBondContact O-N 2.86Å; K251-Q254 VanDerWaalsContact CB-CD 3.41Å; K251-Q254 HydrophobicContact CB-CG 3.69Å; K251-Q254 HydrophobicContact CD-CG 4.46Å; K251-Q254 VanDerWaalsContact CD-NE2 3.26Å; K251-Q254 WeakPolarHBondContact O-CG 3.3Å; K251-Q254 PolarHBondContact O-N 2.96Å; K251-Q254 VanDerWaalsContact O-N 3.13Å; K251-S436 CarbonylContact C-O 3.57Å; K251-S436 PolarHBondContact N-O 3.13Å
252	G	84.6	Confident	94.1	Very high	13 Å²	13	66.5 Å²	66.5	13%	0.134	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.8	-171.7	0	0	0	0	0	116.6	N437 R507	G252-N437 WeakPolarHBondContact CA-O 3.45Å; G252-R507 PolarHBondContact O-NH1 3.32Å; G252-R507 PolarHBondContact O-NH2 3.48Å
253	S	86.3	Confident	94.1	Very high	117 Å²	117	66 Å²	66	82%	0.818	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	16.1	179.5	53.9	0	0	0	0	114.2	K251	K251-S253 PolarHBondContact O-N 2.86Å
254	Q	90.6	Very high	94	Very high	41 Å²	41	63.1 Å²	63.1	19%	0.192	34%	0.336	C	S	.	.			trans	-59.3	142.4	177.4	-83.3	175.8	-46.3	0	0	113	K251 A258 Q262 N437	K251-Q254 VanDerWaalsContact CB-CD 3.41Å; K251-Q254 HydrophobicContact CB-CG 3.69Å; K251-Q254 HydrophobicContact CD-CG 4.46Å; K251-Q254 VanDerWaalsContact CD-NE2 3.26Å; K251-Q254 WeakPolarHBondContact O-CG 3.3Å; K251-Q254 PolarHBondContact O-N 2.96Å; K251-Q254 VanDerWaalsContact O-N 3.13Å; Q254-A258 HydrophobicContact CB-CB 4.25Å; Q254-A258 HydrophobicContact CG-CB 4.33Å; Q254-Q262 VanDerWaalsContact OE1-OE1 3.12Å; Q254-N437 PolarHBondContact OE1-OD1 2.76Å
255	S	94.8	Very high	93.9	Very high	73 Å²	73	65 Å²	65	51%	0.51	35%	0.353	S	S	.	.			trans	-64.3	157.9	171.9	71.3	0	0	0	0	111.3	K257 A258 L259	S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 3.05Å; S255-A258 PolarHBondContact O-N 3.23Å; S255-A258 VanDerWaalsContact O-N 3.13Å; S255-A258 WeakPolarHBondContact OG-CB 3.42Å; S255-A258 PolarHBondContact OG-N 3.45Å; S255-L259 PolarHBondContact O-N 3.3Å
256	A	95.8	Very high	93.8	Very high	40 Å²	40	61.1 Å²	61.1	33%	0.331	34%	0.337	S	S	.	.	H	α-helix	trans	-56.1	-40.4	176.9	0	0	0	0	0	112.5	L259 L260 R507	A256-L259 PolarHBondContact O-N 3.5Å; A256-L260 WeakPolarHBondContact O-CB 3.47Å; A256-L260 WeakPolarHBondContact O-CG 3.31Å; A256-L260 PolarHBondContact O-N 3.02Å; A256-R507 VanDerWaalsContact CB-O 3.3Å; A256-R507 WeakPolarHBondContact CB-O 3Å
257	K	95.9	Very high	93.4	Very high	109 Å²	109	58.9 Å²	58.9	47%	0.474	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175.7	-174.3	-176.3	174.2	-165.3	0	111.5	S255 L260 C261 N531 D533	S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 3.05Å; K257-L260 PolarHBondContact O-N 3.18Å; K257-C261 PolarHBondContact O-N 3.13Å; K257-N531 WeakPolarHBondContact CE-O 3.33Å; K257-D533 IonicContact NZ-OD2 3.44Å; K257-D533 PolarHBondContact NZ-OD2 2.81Å
258	A	96.1	Very high	93.3	Very high	36 Å²	36	58.7 Å²	58.7	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-40.8	179.2	0	0	0	0	0	111.8	Q254 S255 C261 Q262	Q254-A258 HydrophobicContact CB-CB 4.25Å; Q254-A258 HydrophobicContact CG-CB 4.33Å; S255-A258 PolarHBondContact O-N 3.23Å; S255-A258 VanDerWaalsContact O-N 3.13Å; S255-A258 WeakPolarHBondContact OG-CB 3.42Å; S255-A258 PolarHBondContact OG-N 3.45Å; A258-C261 PolarHBondContact O-N 3.38Å; A258-Q262 PolarHBondContact O-N 3.37Å
259	L	96.6	Very high	93.4	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-45.2	174.6	178	55.1	0	0	0	111.7	S255 A256 C261 Q262 M263 V433 N437 L504 R507 I508	S255-L259 PolarHBondContact O-N 3.3Å; A256-L259 PolarHBondContact O-N 3.5Å; L259-C261 VanDerWaalsContact C-N 3.3Å; L259-C261 PolarHBondContact O-N 2.89Å; L259-Q262 PolarHBondContact O-N 2.93Å; L259-M263 HydrophobicContact CD1-CE 3.91Å; L259-M263 HydrophobicContact CD1-CG 4.14Å; L259-M263 HydrophobicContact CD1-SD 4.26Å; L259-M263 HydrophobicContact CD2-CE 4.24Å; L259-M263 HydrophobicContact CG-CE 4.04Å; L259-M263 HydrophobicContact CG-CG 4.48Å; L259-M263 HydrophobicContact CG-SD 4.1Å; L259-M263 WeakPolarHBondContact O-CB 3.41Å; L259-M263 WeakPolarHBondContact O-CG 3.46Å; L259-M263 PolarHBondContact O-N 3.13Å; L259-V433 HydrophobicContact CD1-CG1 4.19Å; L259-N437 HydrophobicContact CD1-CB 4.49Å; L259-L504 HydrophobicContact CD2-CB 4.36Å; L259-L504 HydrophobicContact CD2-CD2 3.97Å; L259-R507 HydrophobicContact CD2-CB 4.21Å; L259-R507 HydrophobicContact CD2-CG 4.35Å; L259-I508 HydrophobicContact CB-CG2 4.26Å; L259-I508 HydrophobicContact CD2-CG2 3.72Å; L259-I508 HydrophobicContact CG-CG2 3.9Å
260	L	97.4	Very high	93.6	Very high	14 Å²	14	53 Å²	53	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-40.9	175.5	-79.4	166.7	0	0	0	112	A256 K257 M263 K264 M458 I508 P525 I530	A256-L260 WeakPolarHBondContact O-CB 3.47Å; A256-L260 WeakPolarHBondContact O-CG 3.31Å; A256-L260 PolarHBondContact O-N 3.02Å; K257-L260 PolarHBondContact O-N 3.18Å; L260-M263 PolarHBondContact O-N 3.45Å; L260-K264 WeakPolarHBondContact O-CB 3.49Å; L260-K264 PolarHBondContact O-N 2.72Å; L260-M458 HydrophobicContact CD2-CE 3.69Å; L260-I508 HydrophobicContact CD2-CB 3.99Å; L260-I508 HydrophobicContact CD2-CD1 3.94Å; L260-I508 HydrophobicContact CD2-CG2 4.04Å; L260-I508 HydrophobicContact CG-CB 4.11Å; L260-I508 HydrophobicContact CG-CG2 3.78Å; L260-P525 HydrophobicContact CD1-CG 3.89Å; L260-P525 HydrophobicContact CD2-CG 3.96Å; L260-I530 HydrophobicContact CB-CG1 4.48Å; L260-I530 HydrophobicContact CB-CG2 4.32Å; L260-I530 HydrophobicContact CD1-CD1 4.01Å
261	C	96.8	Very high	93.8	Very high	27 Å²	27	49 Å²	49	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-40	176.9	-75.2	0	0	0	0	113.2	K257 A258 L259 K264 A265 C532	K257-C261 PolarHBondContact O-N 3.13Å; A258-C261 PolarHBondContact O-N 3.38Å; L259-C261 VanDerWaalsContact C-N 3.3Å; L259-C261 PolarHBondContact O-N 2.89Å; C261-K264 PolarHBondContact O-N 3.42Å; C261-A265 PolarHBondContact O-N 3.13Å; C261-C532 WeakPolarHBondContact CA-SG 3.41Å; C261-C532 HydrophobicContact CB-CB 3.87Å; C261-C532 WeakPolarHBondContact CB-SG 3.45Å; C261-C532 WeakPolarHBondContact SG-CA 3.37Å; C261-C532 WeakPolarHBondContact SG-CB 3.21Å; C261-C532 CovalentContact SG-SG 2.04Å; C261-C532 PolarHBondContact SG-SG 3.13Å
262	Q	96.4	Very high	94.2	Very high	35 Å²	35	44.1 Å²	44.1	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-47.7	172.1	-174.7	-174.6	2.4	0	0	111.1	Q254 A258 L259 K264 A265 E266 V433 S436 N437	Q254-Q262 VanDerWaalsContact OE1-OE1 3.12Å; A258-Q262 PolarHBondContact O-N 3.37Å; L259-Q262 PolarHBondContact O-N 2.93Å; Q262-K264 VanDerWaalsContact C-N 3.26Å; Q262-K264 PolarHBondContact O-N 3.47Å; Q262-A265 PolarHBondContact O-N 3.34Å; Q262-A265 VanDerWaalsContact O-N 3.12Å; Q262-E266 HydrophobicContact CG-CG 4.16Å; Q262-E266 WeakPolarHBondContact O-CB 3.45Å; Q262-E266 WeakPolarHBondContact O-CG 3.41Å; Q262-E266 PolarHBondContact O-N 3.01Å; Q262-V433 HydrophobicContact CG-CG2 4.37Å; Q262-S436 PolarHBondContact NE2-OG 3.2Å; Q262-N437 PolarHBondContact OE1-ND2 2.97Å
263	M	96.9	Very high	94.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-37.7	176.6	-77.4	176.7	166.5	0	0	112.2	L259 L260 G267 V433 F451 L455 L504 I508 F527	L259-M263 HydrophobicContact CD1-CE 3.91Å; L259-M263 HydrophobicContact CD1-CG 4.14Å; L259-M263 HydrophobicContact CD1-SD 4.26Å; L259-M263 HydrophobicContact CD2-CE 4.24Å; L259-M263 HydrophobicContact CG-CE 4.04Å; L259-M263 HydrophobicContact CG-CG 4.48Å; L259-M263 HydrophobicContact CG-SD 4.1Å; L259-M263 WeakPolarHBondContact O-CB 3.41Å; L259-M263 WeakPolarHBondContact O-CG 3.46Å; L259-M263 PolarHBondContact O-N 3.13Å; L260-M263 PolarHBondContact O-N 3.45Å; M263-G267 WeakPolarHBondContact O-CA 3.48Å; M263-G267 PolarHBondContact O-N 2.98Å; M263-V433 HydrophobicContact CE-CG1 4.18Å; M263-V433 HydrophobicContact CG-CG1 3.84Å; M263-F451 HydrophobicContact CE-CE2 4.31Å; M263-F451 HydrophobicContact CE-CZ 4.02Å; M263-L455 HydrophobicContact CB-CD1 3.99Å; M263-L455 HydrophobicContact CG-CD1 4.1Å; M263-L455 HydrophobicContact SD-CD1 4.18Å; M263-L504 HydrophobicContact CE-CB 3.97Å; M263-L504 HydrophobicContact CE-CD1 4.05Å; M263-I508 HydrophobicContact CE-CD1 4.48Å; M263-I508 HydrophobicContact SD-CD1 3.84Å; M263-F527 HydrophobicContact CB-CE1 3.92Å; M263-F527 HydrophobicContact CB-CZ 4.03Å; M263-F527 WeakPolarHBondContact O-CZ 3.34Å
264	K	95.8	Very high	95.2	Very high	71 Å²	71	41.2 Å²	41.2	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-40.5	174.9	176.1	169.9	175.3	167.1	0	112.5	L260 C261 Q262 F527 I530	L260-K264 WeakPolarHBondContact O-CB 3.49Å; L260-K264 PolarHBondContact O-N 2.72Å; C261-K264 PolarHBondContact O-N 3.42Å; Q262-K264 VanDerWaalsContact C-N 3.26Å; Q262-K264 PolarHBondContact O-N 3.47Å; K264-F527 HydrophobicContact CB-CB 4.42Å; K264-F527 HydrophobicContact CB-CD1 3.68Å; K264-F527 HydrophobicContact CB-CE1 4.06Å; K264-F527 HydrophobicContact CB-CG 4.06Å; K264-F527 HydrophobicContact CD-CB 4.15Å; K264-F527 WeakPolarHBondContact CE-O 3.41Å; K264-F527 HydrophobicContact CG-CB 4.05Å; K264-F527 HydrophobicContact CG-CD1 4.25Å; K264-F527 HydrophobicContact CG-CG 4.17Å; K264-F527 PolarHBondContact NZ-O 3.35Å; K264-I530 HydrophobicContact CD-CB 4.45Å; K264-I530 PolarHBondContact NZ-O 3.06Å
265	A	95.1	Very high	95.4	Very high	54 Å²	54	45.5 Å²	45.5	45%	0.446	25%	0.251	S	S	.	.	H	α-helix	trans	-70.2	-47.7	179.6	0	0	0	0	0	112	C261 Q262 Q268	C261-A265 PolarHBondContact O-N 3.13Å; Q262-A265 PolarHBondContact O-N 3.34Å; Q262-A265 VanDerWaalsContact O-N 3.12Å; A265-Q268 WeakPolarHBondContact O-CG 3.38Å
266	E	93.3	Very high	95.6	Very high	72 Å²	72	45.4 Å²	45.4	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-81.9	-27.1	-176.9	-60.5	-60.9	164.2	0	0	112.9	Q262 Q268 R429 V433	Q262-E266 HydrophobicContact CG-CG 4.16Å; Q262-E266 WeakPolarHBondContact O-CB 3.45Å; Q262-E266 WeakPolarHBondContact O-CG 3.41Å; Q262-E266 PolarHBondContact O-N 3.01Å; E266-Q268 PolarHBondContact O-N 3.46Å; E266-R429 HydrophobicContact CB-CB 4.49Å; E266-R429 PolarHBondContact O-NE 2.85Å; E266-R429 WeakPolarHBondContact OE2-CD 3.33Å; E266-V433 HydrophobicContact CB-CG2 3.65Å; E266-V433 HydrophobicContact CG-CG2 3.85Å
267	G	87.1	Confident	95.6	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	18.5	180	0	0	0	0	0	114.4	M263 L269	M263-G267 WeakPolarHBondContact O-CA 3.48Å; M263-G267 PolarHBondContact O-N 2.98Å; G267-L269 PolarHBondContact O-N 2.8Å; G267-L269 VanDerWaalsContact O-N 3.07Å
268	Q	91.4	Very high	95.7	Very high	131 Å²	131	43.6 Å²	43.6	61%	0.612	23%	0.23	S	C	*	.			trans	-60.8	112.2	165.9	-69.2	-179.7	22.6	0	0	108.5	A265 E266 K270 Y426 R429	A265-Q268 WeakPolarHBondContact O-CG 3.38Å; E266-Q268 PolarHBondContact O-N 3.46Å; Q268-K270 PolarHBondContact O-N 3.07Å; Q268-Y426 VanDerWaalsContact O-CD2 3.29Å; Q268-Y426 WeakPolarHBondContact O-CD2 3.32Å; Q268-R429 PolarHBondContact O-NH2 3.06Å
269	L	94.2	Very high	95.8	Very high	17 Å²	17	42 Å²	42	9%	0.089	22%	0.216	C	C	.	.			trans	-56.4	138.6	179.6	-72.1	168.1	0	0	0	109.7	G267 L293 E294 Y426 L456 A459 L460	G267-L269 PolarHBondContact O-N 2.8Å; G267-L269 VanDerWaalsContact O-N 3.07Å; L269-L293 HydrophobicContact CD1-CD2 4.24Å; L269-L293 HydrophobicContact CD1-CG 4.32Å; L269-L293 HydrophobicContact CD2-CD2 4.25Å; L269-E294 HydrophobicContact CB-CG 3.75Å; L269-E294 WeakPolarHBondContact CB-OE1 3.42Å; L269-E294 HydrophobicContact CD1-CG 4.12Å; L269-Y426 HydrophobicContact CD2-CE1 4.01Å; L269-Y426 HydrophobicContact CD2-CE2 3.9Å; L269-Y426 WeakPolarHBondContact CD2-OH 3.34Å; L269-Y426 HydrophobicContact CG-CE2 4.46Å; L269-L456 HydrophobicContact CD1-CG 4.38Å; L269-L456 HydrophobicContact CD2-CB 4.03Å; L269-L456 HydrophobicContact CD2-CD1 4.16Å; L269-L456 HydrophobicContact CD2-CG 3.94Å; L269-A459 HydrophobicContact CD1-CB 3.72Å; L269-A459 HydrophobicContact CG-CB 4.1Å; L269-L460 HydrophobicContact CD1-CD2 4.39Å
270	K	96.4	Very high	95.9	Very high	55 Å²	55	44.1 Å²	44.1	24%	0.239	23%	0.231	C	C	.	.			trans	-142.1	128.7	174.9	-167	-175.9	-177.3	-159.2	0	108	Q268 E276 H423	Q268-K270 PolarHBondContact O-N 3.07Å; K270-E276 WeakPolarHBondContact CE-OE1 3.33Å; K270-E276 VanDerWaalsContact NZ-CD 3.34Å; K270-E276 IonicContact NZ-OE1 3.21Å; K270-E276 PolarHBondContact NZ-OE1 3.44Å; K270-E276 IonicContact NZ-OE2 3.48Å; K270-E276 PolarHBondContact NZ-OE2 3.21Å; K270-H423 HydrophobicContact CB-CB 3.99Å; K270-H423 HydrophobicContact CD-CB 3.95Å; K270-H423 HydrophobicContact CG-CB 3.74Å; K270-H423 PolarHBondContact NZ-CE1 3.09Å; K270-H423 PolarHBondContact NZ-NE2 2.7Å; K270-H423 VanDerWaalsContact NZ-NE2 3.13Å; K270-H423 WeakPolarHBondContact O-CB 3.47Å; K270-H423 PolarHBondContact O-N 2.99Å
271	T	98	Very high	95.9	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.086	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-117.3	161.9	176.3	56.7	0	0	0	0	110	D273 L293 Y420 I421 L422	T271-D273 PolarHBondContact O-N 3.14Å; T271-L293 HydrophobicContact CG2-CB 4.08Å; T271-L293 HydrophobicContact CG2-CD2 3.97Å; T271-Y420 HydrophobicContact CG2-CD1 4.08Å; T271-Y420 HydrophobicContact CG2-CG 4.33Å; T271-I421 CarbonylContact C-O 3.6Å; T271-I421 WeakPolarHBondContact CA-O 3.38Å; T271-I421 VanDerWaalsContact CB-O 3.25Å; T271-I421 WeakPolarHBondContact CB-O 3.49Å; T271-L422 HydrophobicContact CG2-CD2 4.32Å
272	V	98	Very high	95.9	Very high	5 Å²	5	50 Å²	50	3%	0.03	27%	0.266	C	S	.	.			trans	-63.8	117.1	163	178.4	0	0	0	0	107.4	F279 W284 W395 I421	V272-F279 HydrophobicContact CG1-CB 4.23Å; V272-F279 HydrophobicContact CG1-CD1 3.77Å; V272-F279 HydrophobicContact CG1-CD2 3.74Å; V272-F279 HydrophobicContact CG1-CE1 3.98Å; V272-F279 HydrophobicContact CG1-CE2 3.97Å; V272-F279 HydrophobicContact CG1-CG 3.63Å; V272-F279 HydrophobicContact CG1-CZ 4.07Å; V272-F279 HydrophobicContact CG2-CE2 4.11Å; V272-F279 HydrophobicContact CG2-CZ 4.13Å; V272-W284 HydrophobicContact CG1-CE3 3.77Å; V272-W284 HydrophobicContact CG1-CZ3 4.06Å; V272-W395 HydrophobicContact CG2-CH2 3.97Å; V272-W395 HydrophobicContact CG2-CZ3 3.87Å; V272-I421 HydrophobicContact CB-CB 4.33Å; V272-I421 HydrophobicContact CG2-CB 4.2Å; V272-I421 HydrophobicContact CG2-CG2 4.09Å; V272-I421 PolarHBondContact N-O 3.5Å
273	D	95.7	Very high	95.9	Very high	65 Å²	65	49.9 Å²	49.9	35%	0.348	28%	0.275	S	S	.	.			trans	-114.1	5.5	-174.8	65.2	2	0	0	0	113	T271 L275 V288	T271-D273 PolarHBondContact O-N 3.14Å; D273-L275 PolarHBondContact O-N 3.07Å; D273-L275 WeakPolarHBondContact OD1-CB 3.35Å; D273-L275 PolarHBondContact OD1-N 3.17Å; D273-V288 WeakPolarHBondContact O-CG2 3.33Å
274	G	96.7	Very high	95.9	Very high	5 Å²	5	50 Å²	50	5%	0.052	28%	0.275	C	S	.	.	S	Bend	trans	75.1	5.7	179.5	0	0	0	0	0	114.8	S280	G274-S280 WeakPolarHBondContact O-CA 3.27Å; G274-S280 PolarHBondContact O-N 3.4Å
275	L	96	Very high	95.9	Very high	130 Å²	130	49.6 Å²	49.6	68%	0.681	29%	0.285	S	S	*	.			trans	-95.4	-24.2	-177.4	-57.9	-179.2	0	0	0	113.7	D273	D273-L275 PolarHBondContact O-N 3.07Å; D273-L275 WeakPolarHBondContact OD1-CB 3.35Å; D273-L275 PolarHBondContact OD1-N 3.17Å
276	E	97.3	Very high	95.9	Very high	71 Å²	71	53.7 Å²	53.7	33%	0.332	30%	0.3	S	S	.	.	S	Bend	trans	-95.3	146.6	-180	-69.6	175.1	-114.3	0	0	111.8	K270 F279 S280 L392 H423	K270-E276 WeakPolarHBondContact CE-OE1 3.33Å; K270-E276 VanDerWaalsContact NZ-CD 3.34Å; K270-E276 IonicContact NZ-OE1 3.21Å; K270-E276 PolarHBondContact NZ-OE1 3.44Å; K270-E276 IonicContact NZ-OE2 3.48Å; K270-E276 PolarHBondContact NZ-OE2 3.21Å; E276-F279 WeakPolarHBondContact O-CA 3.41Å; E276-F279 VanDerWaalsContact O-CB 3.32Å; E276-F279 WeakPolarHBondContact O-CB 3.29Å; E276-F279 PolarHBondContact O-N 3.13Å; E276-S280 PolarHBondContact O-N 2.88Å; E276-L392 HydrophobicContact CB-CD1 4.22Å; E276-H423 IonicContact OE1-NE2 2.64Å; E276-H423 IonicContact OE2-NE2 3.71Å
277	E	97.3	Very high	96.1	Very high	109 Å²	109	52.3 Å²	52.3	51%	0.509	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	143.2	171.6	-70.9	-61.3	150.5	0	0	111.1	S280 S281	E277-S280 PolarHBondContact N-OG 2.91Å; E277-S280 PolarHBondContact OE1-OG 3.38Å; E277-S281 WeakPolarHBondContact OE1-CB 3.45Å; E277-S281 VanDerWaalsContact OE2-CB 3.23Å; E277-S281 WeakPolarHBondContact OE2-CB 3.32Å; E277-S281 PolarHBondContact OE2-OG 3.34Å
278	P	97.7	Very high	96.5	Very high	3 Å²	3	53 Å²	53	2%	0.019	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	cis	-82.7	-4.5	2.1	31.9	-34.4	0	0	0	114.8	S280 S281 L282 Y396	P278-S280 VanDerWaalsContact C-N 3.34Å; P278-S280 PolarHBondContact O-N 2.95Å; P278-S281 PolarHBondContact O-N 3.32Å; P278-S281 PolarHBondContact O-OG 3.44Å; P278-S281 VanDerWaalsContact O-OG 3.14Å; P278-L282 HydrophobicContact CB-CD1 3.91Å; P278-L282 HydrophobicContact CG-CD1 4.39Å; P278-L282 WeakPolarHBondContact O-CB 3.44Å; P278-L282 WeakPolarHBondContact O-CD1 3.49Å; P278-L282 WeakPolarHBondContact O-CG 3.43Å; P278-L282 PolarHBondContact O-N 2.88Å; P278-Y396 HydrophobicContact CG-CD1 4.27Å; P278-Y396 HydrophobicContact CG-CG 3.92Å
279	F	98.2	Very high	96.7	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-36.5	-169.7	-57.4	-73.6	0	0	0	112.5	V272 E276 L282 G283 W284 L392 W395 Y396 F404	V272-F279 HydrophobicContact CG1-CB 4.23Å; V272-F279 HydrophobicContact CG1-CD1 3.77Å; V272-F279 HydrophobicContact CG1-CD2 3.74Å; V272-F279 HydrophobicContact CG1-CE1 3.98Å; V272-F279 HydrophobicContact CG1-CE2 3.97Å; V272-F279 HydrophobicContact CG1-CG 3.63Å; V272-F279 HydrophobicContact CG1-CZ 4.07Å; V272-F279 HydrophobicContact CG2-CE2 4.11Å; V272-F279 HydrophobicContact CG2-CZ 4.13Å; E276-F279 WeakPolarHBondContact O-CA 3.41Å; E276-F279 VanDerWaalsContact O-CB 3.32Å; E276-F279 WeakPolarHBondContact O-CB 3.29Å; E276-F279 PolarHBondContact O-N 3.13Å; F279-L282 PolarHBondContact O-N 3.43Å; F279-G283 PolarHBondContact O-N 3.01Å; F279-W284 HydrophobicContact CB-CB 3.82Å; F279-W284 HydrophobicContact CB-CD2 4.29Å; F279-W284 HydrophobicContact CB-CG 3.84Å; F279-W284 AromaticContact CD1-CD2 3.41Å; F279-W284 HydrophobicContact CD1-CD2 3.41Å; F279-W284 VanDerWaalsContact CD1-CD2 3.41Å; F279-W284 AromaticContact CD1-CE2 3.58Å; F279-W284 AromaticContact CD1-CE3 3.75Å; F279-W284 HydrophobicContact CD1-CE3 3.75Å; F279-W284 AromaticContact CD1-CG 3.76Å; F279-W284 HydrophobicContact CD1-CG 3.76Å; F279-W284 HydrophobicContact CD1-CH2 4.49Å; F279-W284 HydrophobicContact CD1-CZ2 4.13Å; F279-W284 HydrophobicContact CD1-CZ3 4.28Å; F279-W284 AromaticContact CD1-NE1 3.88Å; F279-W284 HydrophobicContact CE1-CD2 4.15Å; F279-W284 HydrophobicContact CE1-CE3 4.26Å; F279-W284 HydrophobicContact CE1-CH2 4.3Å; F279-W284 HydrophobicContact CE1-CZ2 4.09Å; F279-W284 HydrophobicContact CE1-CZ3 4.34Å; F279-W284 HydrophobicContact CG-CD2 4.27Å; F279-W284 HydrophobicContact CG-CG 4.3Å; F279-W284 VanDerWaalsContact O-CB 3.3Å; F279-W284 WeakPolarHBondContact O-CB 3.43Å; F279-W284 PolarHBondContact O-N 2.98Å; F279-L392 HydrophobicContact CE2-CB 4.47Å; F279-L392 HydrophobicContact CE2-CD1 4.46Å; F279-W395 HydrophobicContact CE2-CE3 4.33Å; F279-W395 AromaticContact CE2-CZ3 3.99Å; F279-W395 HydrophobicContact CE2-CZ3 3.99Å; F279-W395 AromaticContact CZ-CE3 3.95Å; F279-W395 HydrophobicContact CZ-CE3 3.95Å; F279-W395 HydrophobicContact CZ-CH2 4.47Å; F279-W395 AromaticContact CZ-CZ3 3.58Å; F279-W395 HydrophobicContact CZ-CZ3 3.58Å; F279-Y396 HydrophobicContact CD1-CD2 4.32Å; F279-Y396 AromaticContact CE1-CD2 3.65Å; F279-Y396 HydrophobicContact CE1-CD2 3.65Å; F279-Y396 HydrophobicContact CE1-CE2 4.21Å; F279-Y396 HydrophobicContact CZ-CD2 4.26Å; F279-F404 HydrophobicContact CE1-CD1 4.22Å; F279-F404 AromaticContact CE1-CE1 3.67Å; F279-F404 HydrophobicContact CE1-CE1 3.67Å; F279-F404 HydrophobicContact CE1-CZ 4.22Å; F279-F404 AromaticContact CZ-CE1 3.88Å; F279-F404 HydrophobicContact CZ-CE1 3.88Å; F279-F404 HydrophobicContact CZ-CZ 4.1Å
280	S	97.8	Very high	96.6	Very high	44 Å²	44	53 Å²	53	31%	0.308	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-53.2	175.5	45.6	0	0	0	0	113.2	G274 E276 E277 P278 L282 G283	G274-S280 WeakPolarHBondContact O-CA 3.27Å; G274-S280 PolarHBondContact O-N 3.4Å; E276-S280 PolarHBondContact O-N 2.88Å; E277-S280 PolarHBondContact N-OG 2.91Å; E277-S280 PolarHBondContact OE1-OG 3.38Å; P278-S280 VanDerWaalsContact C-N 3.34Å; P278-S280 PolarHBondContact O-N 2.95Å; S280-L282 PolarHBondContact O-N 2.83Å; S280-G283 PolarHBondContact O-N 3.12Å
281	S	97.3	Very high	96.4	Very high	84 Å²	84	57.8 Å²	57.8	59%	0.587	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.4	-179.6	59.7	0	0	0	0	113.1	E277 P278 G283	E277-S281 WeakPolarHBondContact OE1-CB 3.45Å; E277-S281 VanDerWaalsContact OE2-CB 3.23Å; E277-S281 WeakPolarHBondContact OE2-CB 3.32Å; E277-S281 PolarHBondContact OE2-OG 3.34Å; P278-S281 PolarHBondContact O-N 3.32Å; P278-S281 PolarHBondContact O-OG 3.44Å; P278-S281 VanDerWaalsContact O-OG 3.14Å; S281-G283 VanDerWaalsContact C-N 3.34Å
282	L	97	Very high	96.2	Very high	79 Å²	79	59.9 Å²	59.9	41%	0.414	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	3.8	177.2	-66.1	171.7	0	0	0	114.1	P278 F279 S280 W284 Y396	P278-L282 HydrophobicContact CB-CD1 3.91Å; P278-L282 HydrophobicContact CG-CD1 4.39Å; P278-L282 WeakPolarHBondContact O-CB 3.44Å; P278-L282 WeakPolarHBondContact O-CD1 3.49Å; P278-L282 WeakPolarHBondContact O-CG 3.43Å; P278-L282 PolarHBondContact O-N 2.88Å; F279-L282 PolarHBondContact O-N 3.43Å; S280-L282 PolarHBondContact O-N 2.83Å; L282-W284 PolarHBondContact O-N 3.39Å; L282-Y396 HydrophobicContact CD1-CD1 3.87Å; L282-Y396 HydrophobicContact CD1-CD2 4.46Å; L282-Y396 HydrophobicContact CD1-CE1 3.35Å; L282-Y396 HydrophobicContact CD1-CE2 4.01Å; L282-Y396 HydrophobicContact CD1-CG 4.39Å; L282-Y396 VanDerWaalsContact CD1-CZ 3.43Å
283	G	96.8	Very high	95.9	Very high	33 Å²	33	59.7 Å²	59.7	34%	0.34	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	26.7	176.5	0	0	0	0	0	114.2	F279 S280 S281 A285 D286	F279-G283 PolarHBondContact O-N 3.01Å; S280-G283 PolarHBondContact O-N 3.12Å; S281-G283 VanDerWaalsContact C-N 3.34Å; G283-A285 PolarHBondContact O-N 3.25Å; G283-A285 VanDerWaalsContact O-N 3.13Å; G283-D286 PolarHBondContact O-N 3.34Å
284	W	97.4	Very high	95.6	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.011	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-65.2	-16.1	-177.4	-90.1	56.9	0	0	0	115	V272 F279 L282 D286 F287 V288 Y396 F404 Y407 I408 I421	V272-W284 HydrophobicContact CG1-CE3 3.77Å; V272-W284 HydrophobicContact CG1-CZ3 4.06Å; F279-W284 HydrophobicContact CB-CB 3.82Å; F279-W284 HydrophobicContact CB-CD2 4.29Å; F279-W284 HydrophobicContact CB-CG 3.84Å; F279-W284 AromaticContact CD1-CD2 3.41Å; F279-W284 HydrophobicContact CD1-CD2 3.41Å; F279-W284 VanDerWaalsContact CD1-CD2 3.41Å; F279-W284 AromaticContact CD1-CE2 3.58Å; F279-W284 AromaticContact CD1-CE3 3.75Å; F279-W284 HydrophobicContact CD1-CE3 3.75Å; F279-W284 AromaticContact CD1-CG 3.76Å; F279-W284 HydrophobicContact CD1-CG 3.76Å; F279-W284 HydrophobicContact CD1-CH2 4.49Å; F279-W284 HydrophobicContact CD1-CZ2 4.13Å; F279-W284 HydrophobicContact CD1-CZ3 4.28Å; F279-W284 AromaticContact CD1-NE1 3.88Å; F279-W284 HydrophobicContact CE1-CD2 4.15Å; F279-W284 HydrophobicContact CE1-CE3 4.26Å; F279-W284 HydrophobicContact CE1-CH2 4.3Å; F279-W284 HydrophobicContact CE1-CZ2 4.09Å; F279-W284 HydrophobicContact CE1-CZ3 4.34Å; F279-W284 HydrophobicContact CG-CD2 4.27Å; F279-W284 HydrophobicContact CG-CG 4.3Å; F279-W284 VanDerWaalsContact O-CB 3.3Å; F279-W284 WeakPolarHBondContact O-CB 3.43Å; F279-W284 PolarHBondContact O-N 2.98Å; L282-W284 PolarHBondContact O-N 3.39Å; W284-D286 PolarHBondContact O-N 2.96Å; W284-D286 VanDerWaalsContact O-N 3.1Å; W284-F287 PolarHBondContact O-N 3.34Å; W284-V288 HydrophobicContact CE3-CG1 3.77Å; W284-V288 HydrophobicContact CZ3-CG1 4.38Å; W284-V288 WeakPolarHBondContact O-CG2 3.22Å; W284-V288 PolarHBondContact O-N 3.49Å; W284-V288 VanDerWaalsContact O-N 3.09Å; W284-Y396 HydrophobicContact CZ2-CE2 4.09Å; W284-Y396 AromaticContact NE1-CE2 3.99Å; W284-F404 HydrophobicContact CH2-CB 4.47Å; W284-F404 AromaticContact CH2-CD1 3.47Å; W284-F404 HydrophobicContact CH2-CD1 3.47Å; W284-F404 VanDerWaalsContact CH2-CD1 3.47Å; W284-F404 HydrophobicContact CH2-CE1 4.17Å; W284-F404 HydrophobicContact CH2-CG 4.4Å; W284-F404 HydrophobicContact CZ2-CB 4.11Å; W284-F404 AromaticContact CZ2-CD1 3.61Å; W284-F404 HydrophobicContact CZ2-CD1 3.61Å; W284-F404 HydrophobicContact CZ2-CE1 4.43Å; W284-F404 HydrophobicContact CZ2-CG 4.21Å; W284-Y407 HydrophobicContact CE3-CE1 4.3Å; W284-Y407 AromaticContact CH2-CD1 3.56Å; W284-Y407 HydrophobicContact CH2-CD1 3.56Å; W284-Y407 AromaticContact CH2-CE1 3.89Å; W284-Y407 HydrophobicContact CH2-CE1 3.89Å; W284-Y407 HydrophobicContact CH2-CG 4.41Å; W284-Y407 AromaticContact CZ3-CD1 3.72Å; W284-Y407 HydrophobicContact CZ3-CD1 3.72Å; W284-Y407 AromaticContact CZ3-CE1 3.52Å; W284-Y407 HydrophobicContact CZ3-CE1 3.52Å; W284-I408 HydrophobicContact CZ2-CD1 4.02Å; W284-I408 HydrophobicContact CZ2-CG1 4.21Å; W284-I421 HydrophobicContact CH2-CD1 3.7Å; W284-I421 HydrophobicContact CZ3-CD1 3.75Å
285	A	95.7	Very high	95.1	Very high	64 Å²	64	62.5 Å²	62.5	53%	0.529	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-53.7	-28.3	175.4	0	0	0	0	0	113.1	G283	G283-A285 PolarHBondContact O-N 3.25Å; G283-A285 VanDerWaalsContact O-N 3.13Å
286	D	94.9	Very high	94.4	Very high	140 Å²	140	58.9 Å²	58.9	75%	0.749	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-78.7	-21.3	179	-66.7	-24.1	0	0	0	113.3	G283 W284	G283-D286 PolarHBondContact O-N 3.34Å; W284-D286 PolarHBondContact O-N 2.96Å; W284-D286 VanDerWaalsContact O-N 3.1Å
287	F	96.5	Very high	92.9	Very high	42 Å²	42	56.4 Å²	56.4	18%	0.184	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-35.1	-175.3	-57.4	-61.1	0	0	0	112.9	W284 Y407 I408 R411 K412	W284-F287 PolarHBondContact O-N 3.34Å; F287-Y407 HydrophobicContact CB-CE1 4.31Å; F287-I408 HydrophobicContact CD1-CG2 4.12Å; F287-I408 HydrophobicContact CD2-CG1 4.19Å; F287-I408 HydrophobicContact CE1-CG2 3.88Å; F287-I408 HydrophobicContact CE2-CG2 4.27Å; F287-I408 HydrophobicContact CG-CG1 4.32Å; F287-I408 HydrophobicContact CG-CG2 4.44Å; F287-I408 HydrophobicContact CZ-CG2 3.96Å; F287-R411 HydrophobicContact CB-CB 4.36Å; F287-R411 WeakPolarHBondContact O-CG 3.49Å; F287-R411 PolarHBondContact O-NE 3.47Å; F287-K412 HydrophobicContact CD1-CG 4.31Å; F287-K412 HydrophobicContact CE1-CD 4.25Å; F287-K412 VanDerWaalsContact CE1-CE 3.47Å; F287-K412 HydrophobicContact CE1-CG 3.81Å
288	V	97	Very high	91.5	Very high	16 Å²	16	57.3 Å²	57.3	10%	0.097	33%	0.325	C	S	.	.	S	Bend	trans	-71.3	150.4	-178.1	-61.8	0	0	0	0	112.2	D273 W284 S290	D273-V288 WeakPolarHBondContact O-CG2 3.33Å; W284-V288 HydrophobicContact CE3-CG1 3.77Å; W284-V288 HydrophobicContact CZ3-CG1 4.38Å; W284-V288 WeakPolarHBondContact O-CG2 3.22Å; W284-V288 PolarHBondContact O-N 3.49Å; W284-V288 VanDerWaalsContact O-N 3.09Å; V288-S290 PolarHBondContact O-N 3.47Å
289	P	95.7	Very high	89.4	Confident	24 Å²	24	67.1 Å²	67.1	16%	0.156	36%	0.362	C	S	.	.			trans	-63.3	132.9	175.5	-23.1	34.9	0	0	0	111.9	R291 F419 Y420	P289-R291 PolarHBondContact O-N 3.34Å; P289-F419 VanDerWaalsContact CD-O 3.32Å; P289-F419 WeakPolarHBondContact CD-O 3.43Å; P289-F419 VanDerWaalsContact CG-O 3.27Å; P289-F419 WeakPolarHBondContact CG-O 2.91Å; P289-Y420 HydrophobicContact CB-CD1 4.24Å; P289-Y420 HydrophobicContact CB-CE1 3.57Å; P289-Y420 HydrophobicContact CG-CD1 3.8Å; P289-Y420 HydrophobicContact CG-CD2 4.4Å; P289-Y420 HydrophobicContact CG-CE1 3.61Å; P289-Y420 HydrophobicContact CG-CE2 4.24Å; P289-Y420 HydrophobicContact CG-CG 4.19Å
290	S	91.9	Very high	87	Confident	123 Å²	123	75.5 Å²	75.5	86%	0.86	40%	0.401	S	S	*	.	S	Bend	trans	-67.2	-23.3	178.4	58.7	0	0	0	0	114	V288	V288-S290 PolarHBondContact O-N 3.47Å
291	R	92.2	Very high	84.4	Confident	156 Å²	156	81.6 Å²	81.6	59%	0.589	42%	0.424	S	S	*	.	S	Bend	trans	-98.5	121.8	175	-69.6	-171.4	178.4	-175.6	2.7	109.9	P289 Y420	P289-R291 PolarHBondContact O-N 3.34Å; R291-Y420 VanDerWaalsContact O-CE1 3.27Å; R291-Y420 WeakPolarHBondContact O-CE1 3.41Å; R291-Y420 PolarHBondContact O-OH 2.85Å
292	P	92.9	Very high	82	Confident	59 Å²	59	81.3 Å²	81.3	38%	0.383	44%	0.435	S	S	.	.			trans	-56.5	149.9	173.9	-24.9	31.9	0	0	0	113.1	E294 L295	P292-E294 WeakPolarHBondContact CB-OE2 3.39Å; P292-E294 PolarHBondContact O-N 3.13Å; P292-L295 HydrophobicContact CB-CG 4.43Å; P292-L295 HydrophobicContact CG-CD1 4.29Å; P292-L295 PolarHBondContact O-N 3Å; P292-L295 VanDerWaalsContact O-N 3.08Å
293	L	92.8	Very high	79.7	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-60.1	-34.6	-175.7	178.6	64.2	0	0	0	112.3	L269 T271 L295 L296 T379 V381 Y420 L422 L456	L269-L293 HydrophobicContact CD1-CD2 4.24Å; L269-L293 HydrophobicContact CD1-CG 4.32Å; L269-L293 HydrophobicContact CD2-CD2 4.25Å; T271-L293 HydrophobicContact CG2-CB 4.08Å; T271-L293 HydrophobicContact CG2-CD2 3.97Å; L293-L295 PolarHBondContact O-N 3.34Å; L293-L295 VanDerWaalsContact O-N 3.14Å; L293-L296 HydrophobicContact CD1-CD1 3.36Å; L293-L296 HydrophobicContact CD1-CG 4.08Å; L293-L296 WeakPolarHBondContact O-CB 3.5Å; L293-L296 WeakPolarHBondContact O-CG 3.48Å; L293-L296 PolarHBondContact O-N 3.2Å; L293-T379 HydrophobicContact CD1-CG2 4.47Å; L293-V381 HydrophobicContact CD1-CG2 4.12Å; L293-V381 HydrophobicContact CD2-CG2 4.38Å; L293-Y420 HydrophobicContact CB-CD1 4.05Å; L293-Y420 HydrophobicContact CB-CE1 4.02Å; L293-Y420 HydrophobicContact CB-CG 4.31Å; L293-Y420 HydrophobicContact CD1-CD2 3.74Å; L293-Y420 HydrophobicContact CD1-CE2 3.79Å; L293-Y420 HydrophobicContact CD1-CG 4.21Å; L293-L422 HydrophobicContact CD2-CD2 4.37Å; L293-L456 HydrophobicContact CD2-CD1 3.86Å
294	E	88.1	Confident	77.8	Confident	55 Å²	55	89.2 Å²	89.2	26%	0.257	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-66.4	-16	-179	-53.4	70.9	-143.4	0	0	112.5	L269 P292	L269-E294 HydrophobicContact CB-CG 3.75Å; L269-E294 WeakPolarHBondContact CB-OE1 3.42Å; L269-E294 HydrophobicContact CD1-CG 4.12Å; P292-E294 WeakPolarHBondContact CB-OE2 3.39Å; P292-E294 PolarHBondContact O-N 3.13Å
295	L	86.3	Confident	76.6	Confident	74 Å²	74	90.1 Å²	90.1	39%	0.387	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-102.5	1.8	-178.2	-54.9	-174.8	0	0	0	112.9	P292 L293 N297 K298	P292-L295 HydrophobicContact CB-CG 4.43Å; P292-L295 HydrophobicContact CG-CD1 4.29Å; P292-L295 PolarHBondContact O-N 3Å; P292-L295 VanDerWaalsContact O-N 3.08Å; L293-L295 PolarHBondContact O-N 3.34Å; L293-L295 VanDerWaalsContact O-N 3.14Å; L295-N297 PolarHBondContact O-N 2.83Å; L295-K298 HydrophobicContact CD2-CD 3.68Å; L295-K298 HydrophobicContact CD2-CG 4.31Å; L295-K298 PolarHBondContact O-N 3.12Å
296	L	80.8	Confident	76.4	Confident	54 Å²	54	89.3 Å²	89.3	28%	0.283	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-34.1	-178.8	-82.7	-177.1	0	0	0	113.7	L293 I354 T379 P418 Y420	L293-L296 HydrophobicContact CD1-CD1 3.36Å; L293-L296 HydrophobicContact CD1-CG 4.08Å; L293-L296 WeakPolarHBondContact O-CB 3.5Å; L293-L296 WeakPolarHBondContact O-CG 3.48Å; L293-L296 PolarHBondContact O-N 3.2Å; L296-I354 HydrophobicContact CD1-CD1 4.48Å; L296-T379 HydrophobicContact CD1-CG2 3.63Å; L296-P418 HydrophobicContact CD2-CB 4.48Å; L296-Y420 HydrophobicContact CD1-CE2 4.45Å; L296-Y420 HydrophobicContact CD2-CE2 4.3Å
297	N	67.1	Low	76.3	Confident	20 Å²	20	89.1 Å²	89.1	11%	0.107	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-11.6	-177.7	65.6	17.1	0	0	0	113.5	L295 R299 G305 F306 L460	L295-N297 PolarHBondContact O-N 2.83Å; N297-R299 PolarHBondContact O-N 3.37Å; N297-G305 WeakPolarHBondContact ND2-CA 3.46Å; N297-F306 HydrophobicContact CB-CD2 4.07Å; N297-F306 HydrophobicContact CB-CE2 4.06Å; N297-F306 HydrophobicContact CB-CG 4.44Å; N297-F306 HydrophobicContact CB-CZ 4.43Å; N297-L460 WeakPolarHBondContact ND2-CA 3.36Å; N297-L460 PolarHBondContact ND2-O 3.06Å
298	K	67.4	Low	76.4	Confident	127 Å²	127	88.5 Å²	88.5	55%	0.552	45%	0.45	S	S	*	.			trans	-83.8	89.5	-175.2	-62.1	-162.4	-165.4	168.4	0	108.3	L295	L295-K298 HydrophobicContact CD2-CD 3.68Å; L295-K298 HydrophobicContact CD2-CG 4.31Å; L295-K298 PolarHBondContact O-N 3.12Å
299	R	53.6	Low	76.4	Confident	210 Å²	210	87.8 Å²	87.8	79%	0.792	45%	0.445	S	S	*	.			trans	-58.5	151.2	169.5	-70	-173.5	-177.1	-177.3	1.9	109.5	N297 Q301 G302	N297-R299 PolarHBondContact O-N 3.37Å; R299-Q301 PolarHBondContact O-N 3.16Å; R299-G302 PolarHBondContact O-N 3Å
300	Q	48.8	Very low	76.6	Confident	178 Å²	178	86.6 Å²	86.6	83%	0.832	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	6.5	-179.3	-71.2	-169.1	-26.1	0	0	116.1
301	Q	42.7	Very low	76.9	Confident	172 Å²	172	80.8 Å²	80.8	80%	0.804	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	21.3	-178.1	-67.3	-180	1.5	0	0	113.8	R299 R303	R299-Q301 PolarHBondContact O-N 3.16Å; Q301-R303 VanDerWaalsContact C-N 3.27Å; Q301-R303 PolarHBondContact O-N 2.98Å; Q301-R303 VanDerWaalsContact O-N 3.14Å
302	G	47.1	Very low	77.2	Confident	79 Å²	79	73.5 Å²	73.5	81%	0.814	37%	0.369	S	S	*	.			trans	67.4	18.4	169.3	0	0	0	0	0	115.9	R299	R299-G302 PolarHBondContact O-N 3Å
303	R	48.8	Very low	77.5	Confident	200 Å²	200	71.2 Å²	71.2	76%	0.755	35%	0.354	S	S	*	.			trans	-86.1	139.6	171.1	-68.3	-179.4	94.5	139.5	1.9	110.3	Q301	Q301-R303 VanDerWaalsContact C-N 3.27Å; Q301-R303 PolarHBondContact O-N 2.98Å; Q301-R303 VanDerWaalsContact O-N 3.14Å
304	S	55.9	Low	77.7	Confident	77 Å²	77	72 Å²	72	54%	0.538	36%	0.36	S	S	.	.			trans	-56.5	162.8	-172.9	58.8	0	0	0	0	113	E462	S304-E462 WeakPolarHBondContact CB-OE1 3.42Å; S304-E462 PolarHBondContact OG-OE1 2.82Å
305	G	73.5	Confident	78.2	Confident	22 Å²	22	70.2 Å²	70.2	23%	0.227	36%	0.355	C	S	.	.	S	Bend	trans	-60.1	-164.4	-175.7	0	0	0	0	0	115.5	N297 K307	N297-G305 WeakPolarHBondContact ND2-CA 3.46Å; G305-K307 PolarHBondContact O-N 3.08Å
306	F	90.9	Very high	78.7	Confident	48 Å²	48	66.9 Å²	66.9	21%	0.211	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	134.5	172.6	-63.1	-62.8	0	0	0	109	N297 C309 D331 A332 T353 L460 C461 E462	N297-F306 HydrophobicContact CB-CD2 4.07Å; N297-F306 HydrophobicContact CB-CE2 4.06Å; N297-F306 HydrophobicContact CB-CG 4.44Å; N297-F306 HydrophobicContact CB-CZ 4.43Å; F306-C309 WeakPolarHBondContact CB-SG 3.42Å; F306-D331 HydrophobicContact CB-CB 4.24Å; F306-D331 HydrophobicContact CD1-CB 3.92Å; F306-A332 HydrophobicContact CD1-CB 3.83Å; F306-A332 HydrophobicContact CD2-CB 3.78Å; F306-A332 HydrophobicContact CE1-CB 3.89Å; F306-A332 HydrophobicContact CE2-CB 3.84Å; F306-A332 HydrophobicContact CG-CB 3.79Å; F306-A332 HydrophobicContact CZ-CB 3.89Å; F306-T353 HydrophobicContact CZ-CG2 4.28Å; F306-L460 HydrophobicContact CD2-CB 4.36Å; F306-L460 PolarHBondContact N-O 2.87Å; F306-L460 VanDerWaalsContact N-O 3.15Å; F306-C461 HydrophobicContact CB-CB 4.29Å; F306-C461 CarbonylContact O-C 3.56Å; F306-C461 WeakPolarHBondContact O-CA 3.42Å; F306-E462 PolarHBondContact O-N 3.13Å
307	K	93.3	Very high	79.5	Confident	135 Å²	135	64.6 Å²	64.6	59%	0.587	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	-51.6	-179.9	-63.5	-176.7	174.8	-174.4	0	109.4	G305 D331 E462 Q463	G305-K307 PolarHBondContact O-N 3.08Å; K307-D331 WeakPolarHBondContact CA-OD2 3.48Å; K307-D331 WeakPolarHBondContact CB-OD2 3.15Å; K307-D331 PolarHBondContact N-OD2 2.65Å; K307-E462 WeakPolarHBondContact O-CB 3.49Å; K307-E462 PolarHBondContact O-N 2.88Å; K307-Q463 PolarHBondContact O-N 3.42Å
308	S	96.7	Very high	81	Confident	30 Å²	30	63.7 Å²	63.7	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.9	-178.4	65.5	0	0	0	0	110.8	D331	S308-D331 PolarHBondContact N-OD2 3.07Å; S308-D331 WeakPolarHBondContact O-CB 3.27Å; S308-D331 PolarHBondContact O-N 3.05Å; S308-D331 PolarHBondContact OG-OD2 3.39Å
309	C	98.6	Very high	82.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.1	180	-69.1	0	0	0	0	112.1	F306 H330 A332 M457 C461 Q463 V464 H465	F306-C309 WeakPolarHBondContact CB-SG 3.42Å; C309-H330 PolarHBondContact O-CD2 3.27Å; C309-A332 CarbonylContact C-O 3.6Å; C309-A332 VanDerWaalsContact CA-O 3.31Å; C309-A332 WeakPolarHBondContact CA-O 3.06Å; C309-M457 HydrophobicContact CB-CE 3.53Å; C309-M457 VanDerWaalsContact SG-CE 3.58Å; C309-C461 HydrophobicContact CB-CB 3.66Å; C309-C461 WeakPolarHBondContact CB-SG 3.36Å; C309-C461 WeakPolarHBondContact SG-CB 3.42Å; C309-C461 CovalentContact SG-SG 2.01Å; C309-C461 PolarHBondContact SG-SG 3.05Å; C309-Q463 PolarHBondContact N-O 3.08Å; C309-V464 HydrophobicContact CB-CG2 4.46Å; C309-V464 CarbonylContact O-C 3.59Å; C309-V464 WeakPolarHBondContact O-CA 3.37Å; C309-H465 PolarHBondContact O-N 3.43Å
310	A	98.9	Very high	84.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.6	171.1	0	0	0	0	0	110.8	V312 I327 H330 A332 V333 L334 H465 Y467	A310-V312 HydrophobicContact CB-CG2 4.46Å; A310-I327 HydrophobicContact CB-CG2 4.23Å; A310-H330 HydrophobicContact CB-CB 4.2Å; A310-A332 PolarHBondContact N-O 3.22Å; A310-V333 HydrophobicContact CB-CG1 4.47Å; A310-V333 HydrophobicContact CB-CG2 4.24Å; A310-V333 CarbonylContact O-C 3.39Å; A310-V333 WeakPolarHBondContact O-CA 3.35Å; A310-L334 PolarHBondContact O-N 3.43Å; A310-H465 CarbonylContact C-O 3.51Å; A310-H465 WeakPolarHBondContact CA-O 3.38Å; A310-Y467 HydrophobicContact CB-CD2 4.17Å; A310-Y467 HydrophobicContact CB-CE2 3.75Å
311	V	98.9	Very high	86.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.8	164.6	177.9	0	0	0	0	107.2	L334 F336 I454 M457 V464 H465 V466 Y467	V311-L334 HydrophobicContact CG1-CD2 4.27Å; V311-L334 HydrophobicContact CG2-CB 4.34Å; V311-L334 HydrophobicContact CG2-CD2 4.17Å; V311-F336 HydrophobicContact CG1-CE2 3.7Å; V311-F336 HydrophobicContact CG1-CZ 3.56Å; V311-I454 HydrophobicContact CG1-CG1 4.1Å; V311-M457 HydrophobicContact CG2-CB 3.91Å; V311-M457 HydrophobicContact CG2-CG 3.65Å; V311-V464 HydrophobicContact CG2-CG1 3.69Å; V311-H465 PolarHBondContact N-O 2.97Å; V311-V466 HydrophobicContact CB-CB 4.48Å; V311-V466 HydrophobicContact CB-CG1 4.19Å; V311-V466 HydrophobicContact CB-CG2 4.29Å; V311-V466 HydrophobicContact CG1-CG1 4.23Å; V311-Y467 PolarHBondContact O-N 3.28Å
312	V	98.9	Very high	89.5	Confident	3 Å²	3	50 Å²	50	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.3	-177.7	-174.2	0	0	0	0	108.3	A310 I318 I327 V333 L334 F336 V348	A310-V312 HydrophobicContact CB-CG2 4.46Å; V312-I318 HydrophobicContact CG1-CD1 3.68Å; V312-I327 HydrophobicContact CG1-CD1 4.36Å; V312-I327 HydrophobicContact CG2-CD1 4Å; V312-I327 HydrophobicContact CG2-CG1 4.23Å; V312-I327 HydrophobicContact CG2-CG2 3.62Å; V312-V333 HydrophobicContact CG2-CG1 3.82Å; V312-L334 PolarHBondContact N-O 3.05Å; V312-F336 VanDerWaalsContact O-CD2 3.27Å; V312-F336 WeakPolarHBondContact O-CD2 3.39Å; V312-F336 WeakPolarHBondContact O-CE2 3.38Å; V312-V348 HydrophobicContact CG1-CB 4.35Å
313	T	97.9	Very high	92	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	23%	0.228	C	C	.	.			trans	-71	167.5	176.1	71.7	0	0	0	0	111.2	A315 Y467 E468 Y469	T313-A315 VanDerWaalsContact C-N 3.28Å; T313-A315 PolarHBondContact OG1-N 3.43Å; T313-Y467 VanDerWaalsContact CG2-O 3.29Å; T313-Y467 WeakPolarHBondContact CG2-O 3.42Å; T313-Y467 PolarHBondContact N-O 2.99Å; T313-Y467 PolarHBondContact OG1-O 3.47Å; T313-Y467 VanDerWaalsContact OG1-O 3.07Å; T313-E468 VanDerWaalsContact OG1-C 3.25Å; T313-E468 PolarHBondContact OG1-O 3.3Å; T313-Y469 HydrophobicContact CG2-CD2 3.8Å; T313-Y469 HydrophobicContact CG2-CG 4.22Å
314	S	98.3	Very high	94.4	Very high	16 Å²	16	37.2 Å²	37.2	11%	0.112	19%	0.192	C	C	.	.			trans	-84.5	1.6	175.8	-56.5	0	0	0	0	113.6	H480 Y481	S314-H480 VanDerWaalsContact CB-CD2 3.45Å; S314-H480 WeakPolarHBondContact CB-CD2 3.4Å; S314-H480 CarbonylContact O-C 3.54Å; S314-H480 WeakPolarHBondContact O-CA 3.38Å; S314-Y481 VanDerWaalsContact O-CD1 3.29Å; S314-Y481 WeakPolarHBondContact O-CD1 3.22Å; S314-Y481 PolarHBondContact O-N 3.32Å; S314-Y481 VanDerWaalsContact O-N 3.08Å
315	A	97.8	Very high	96.4	Very high	18 Å²	18	42.6 Å²	42.6	15%	0.149	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-60	139.4	-168.2	0	0	0	0	0	113.1	T313 A317 I318 E468	T313-A315 VanDerWaalsContact C-N 3.28Å; T313-A315 PolarHBondContact OG1-N 3.43Å; A315-A317 PolarHBondContact O-N 3.09Å; A315-A317 VanDerWaalsContact O-N 3.17Å; A315-I318 VanDerWaalsContact O-CG2 3.27Å; A315-I318 WeakPolarHBondContact O-CG2 3.43Å; A315-I318 PolarHBondContact O-N 3.08Å; A315-E468 HydrophobicContact CB-CB 4.17Å; A315-E468 WeakPolarHBondContact CB-O 3.3Å
316	G	97.4	Very high	97.6	Very high	5 Å²	5	43.9 Å²	43.9	5%	0.052	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.5	-25	177.4	0	0	0	0	0	114.4	I318 L319 L478 C479	G316-I318 PolarHBondContact O-N 3.06Å; G316-L319 WeakPolarHBondContact O-CG 3.25Å; G316-L319 PolarHBondContact O-N 2.86Å; G316-L319 VanDerWaalsContact O-N 3.16Å; G316-L478 WeakPolarHBondContact CA-O 3.11Å; G316-L478 PolarHBondContact N-O 3.22Å; G316-C479 PolarHBondContact N-O 3.41Å
317	A	96.6	Very high	98	Very high	6 Å²	6	41.6 Å²	41.6	5%	0.05	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.3	-13.6	177.8	0	0	0	0	0	114.5	A315 L319 R474	A315-A317 PolarHBondContact O-N 3.09Å; A315-A317 VanDerWaalsContact O-N 3.17Å; A317-L319 VanDerWaalsContact C-N 3.29Å; A317-R474 HydrophobicContact CB-CB 4.42Å; A317-R474 WeakPolarHBondContact CB-O 3.49Å; A317-R474 WeakPolarHBondContact O-CB 3.44Å; A317-R474 WeakPolarHBondContact O-CD 3.35Å; A317-R474 PolarHBondContact O-NE 2.82Å
318	I	98.3	Very high	98.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-74	-19.2	176.9	-156.3	161.4	0	0	0	113.1	V312 A315 G316 S321 I327 D347 V348 E468 Y481	V312-I318 HydrophobicContact CG1-CD1 3.68Å; A315-I318 VanDerWaalsContact O-CG2 3.27Å; A315-I318 WeakPolarHBondContact O-CG2 3.43Å; A315-I318 PolarHBondContact O-N 3.08Å; G316-I318 PolarHBondContact O-N 3.06Å; I318-S321 WeakPolarHBondContact O-CB 3.24Å; I318-S321 PolarHBondContact O-N 3.27Å; I318-S321 PolarHBondContact O-OG 3.31Å; I318-I327 HydrophobicContact CD1-CD1 4.45Å; I318-D347 WeakPolarHBondContact O-CB 3.49Å; I318-V348 HydrophobicContact CD1-CG1 3.95Å; I318-V348 HydrophobicContact CG1-CG1 4.19Å; I318-V348 HydrophobicContact CG2-CG1 3.74Å; I318-E468 HydrophobicContact CB-CB 4.38Å; I318-E468 HydrophobicContact CB-CG 3.87Å; I318-E468 HydrophobicContact CD1-CG 4.48Å; I318-E468 HydrophobicContact CG1-CG 4.07Å; I318-Y481 HydrophobicContact CG2-CD1 3.59Å; I318-Y481 HydrophobicContact CG2-CE1 4.41Å; I318-Y481 HydrophobicContact CG2-CG 3.89Å
319	L	98.2	Very high	98.3	Very high	39 Å²	39	39.7 Å²	39.7	20%	0.204	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	143	179.4	-67.9	175.7	0	0	0	111.6	G316 A317 S321 Y344 R474 L478	G316-L319 WeakPolarHBondContact O-CG 3.25Å; G316-L319 PolarHBondContact O-N 2.86Å; G316-L319 VanDerWaalsContact O-N 3.16Å; A317-L319 VanDerWaalsContact C-N 3.29Å; L319-S321 PolarHBondContact O-N 3.02Å; L319-S321 VanDerWaalsContact O-N 3.12Å; L319-Y344 HydrophobicContact CD2-CD1 3.71Å; L319-Y344 HydrophobicContact CD2-CE1 3.83Å; L319-R474 WeakPolarHBondContact O-CD 3.12Å; L319-L478 HydrophobicContact CD1-CD2 3.64Å
320	H	97.5	Very high	98.3	Very high	160 Å²	160	40.2 Å²	40.2	74%	0.741	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	15.3	-177.1	-47.5	-57.9	0	0	0	115.1	D347	H320-D347 WeakPolarHBondContact CA-OD1 3.44Å; H320-D347 PolarHBondContact N-OD1 2.7Å; H320-D347 PolarHBondContact N-OD2 3.07Å
321	S	98.1	Very high	98.2	Very high	17 Å²	17	44 Å²	44	12%	0.119	22%	0.223	C	C	.	.			trans	-76.8	-23.2	180	68.7	0	0	0	0	113.5	I318 L319 L323 D347	I318-S321 WeakPolarHBondContact O-CB 3.24Å; I318-S321 PolarHBondContact O-N 3.27Å; I318-S321 PolarHBondContact O-OG 3.31Å; L319-S321 PolarHBondContact O-N 3.02Å; L319-S321 VanDerWaalsContact O-N 3.12Å; S321-L323 PolarHBondContact O-N 3.4Å; S321-L323 WeakPolarHBondContact OG-CD1 3.37Å; S321-L323 WeakPolarHBondContact OG-CG 3.3Å; S321-L323 PolarHBondContact OG-N 3.49Å; S321-D347 PolarHBondContact N-OD1 3.2Å; S321-D347 VanDerWaalsContact N-OD1 3.08Å
322	R	98.3	Very high	98.2	Very high	185 Å²	185	44 Å²	44	70%	0.698	22%	0.223	S	C	*	.			trans	59.2	23.9	-173.8	-35.4	-156.1	166.7	-174	-3.1	114.2	G324 H346 D347	R322-G324 VanDerWaalsContact C-N 3.27Å; R322-G324 PolarHBondContact O-N 3.26Å; R322-H346 CarbonylContact C-O 3.2Å; R322-H346 VanDerWaalsContact CA-O 3.25Å; R322-H346 WeakPolarHBondContact CA-O 3.46Å; R322-H346 WeakPolarHBondContact CD-CE1 3.29Å; R322-H346 WeakPolarHBondContact CG-CE1 3.16Å; R322-D347 PolarHBondContact N-OD1 2.91Å
323	L	98.7	Very high	98.2	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.047	22%	0.222	C	C	.	.			trans	-79.5	-6.8	-174.6	-67.2	168.3	0	0	0	113.5	S321 K325 E326 I327 H346 Y467 K519	S321-L323 PolarHBondContact O-N 3.4Å; S321-L323 WeakPolarHBondContact OG-CD1 3.37Å; S321-L323 WeakPolarHBondContact OG-CG 3.3Å; S321-L323 PolarHBondContact OG-N 3.49Å; L323-K325 PolarHBondContact O-N 3.02Å; L323-E326 WeakPolarHBondContact O-CA 3.49Å; L323-E326 WeakPolarHBondContact O-CB 3.36Å; L323-E326 PolarHBondContact O-N 3.34Å; L323-I327 HydrophobicContact CB-CD1 3.98Å; L323-I327 HydrophobicContact CB-CG1 4.4Å; L323-I327 WeakPolarHBondContact O-CG1 3.37Å; L323-I327 PolarHBondContact O-N 2.96Å; L323-H346 PolarHBondContact N-O 3.2Å; L323-Y467 HydrophobicContact CD1-CD1 3.97Å; L323-Y467 HydrophobicContact CD1-CE1 4.48Å; L323-Y467 HydrophobicContact CD2-CE1 4.42Å; L323-K519 WeakPolarHBondContact CD1-O 3.48Å; L323-K519 HydrophobicContact CD2-CB 4.08Å; L323-K519 HydrophobicContact CD2-CD 4.19Å; L323-K519 HydrophobicContact CD2-CG 4.14Å
324	G	98.8	Very high	98.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-41.7	-170	0	0	0	0	0	114.9	R322 E326 I327 D328 E345 H346 D347	R322-G324 VanDerWaalsContact C-N 3.27Å; R322-G324 PolarHBondContact O-N 3.26Å; G324-E326 VanDerWaalsContact C-N 3.34Å; G324-E326 PolarHBondContact O-N 3.04Å; G324-I327 PolarHBondContact O-N 3.45Å; G324-D328 WeakPolarHBondContact O-CB 3.32Å; G324-D328 PolarHBondContact O-N 3.08Å; G324-E345 WeakPolarHBondContact CA-O 3.38Å; G324-H346 WeakPolarHBondContact CA-O 3.16Å; G324-H346 PolarHBondContact N-O 3.31Å; G324-D347 PolarHBondContact N-O 3.21Å
325	K	98.8	Very high	98.3	Very high	189 Å²	189	42.6 Å²	42.6	82%	0.822	21%	0.214	S	C	*	.	H	α-helix	trans	-65	-37.2	175.2	-69.2	-174.3	179.5	-179	0	112.9	L323 A329	L323-K325 PolarHBondContact O-N 3.02Å; K325-A329 PolarHBondContact O-N 3.45Å
326	E	98.6	Very high	98.3	Very high	49 Å²	49	42 Å²	42	23%	0.229	21%	0.208	C	C	.	.	H	α-helix	trans	-68.7	-43.3	177.6	-170.5	-173.3	122.1	0	0	110.5	L323 G324 A329 H330 Y467 K519 R521	L323-E326 WeakPolarHBondContact O-CA 3.49Å; L323-E326 WeakPolarHBondContact O-CB 3.36Å; L323-E326 PolarHBondContact O-N 3.34Å; G324-E326 VanDerWaalsContact C-N 3.34Å; G324-E326 PolarHBondContact O-N 3.04Å; E326-A329 WeakPolarHBondContact O-CB 3.35Å; E326-A329 PolarHBondContact O-N 3.11Å; E326-H330 PolarHBondContact O-CE1 2.72Å; E326-H330 PolarHBondContact O-ND1 3.29Å; E326-Y467 WeakPolarHBondContact OE1-CE1 3.35Å; E326-Y467 PolarHBondContact OE1-OH 3.02Å; E326-K519 IonicContact OE2-NZ 2.73Å; E326-K519 PolarHBondContact OE2-NZ 2.83Å; E326-R521 VanDerWaalsContact OE1-CD 3.29Å; E326-R521 WeakPolarHBondContact OE1-CD 3.49Å; E326-R521 IonicContact OE1-CZ 3.8Å; E326-R521 IonicContact OE1-NE 2.89Å; E326-R521 IonicContact OE1-NH1 3.56Å; E326-R521 PolarHBondContact OE1-NH1 3.14Å; E326-R521 IonicContact OE2-NH1 2.66Å
327	I	98.9	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-50	175.8	-69.9	164.9	0	0	0	110.1	A310 V312 I318 L323 G324 A329 H330 V333 Y467	A310-I327 HydrophobicContact CB-CG2 4.23Å; V312-I327 HydrophobicContact CG1-CD1 4.36Å; V312-I327 HydrophobicContact CG2-CD1 4Å; V312-I327 HydrophobicContact CG2-CG1 4.23Å; V312-I327 HydrophobicContact CG2-CG2 3.62Å; I318-I327 HydrophobicContact CD1-CD1 4.45Å; L323-I327 HydrophobicContact CB-CD1 3.98Å; L323-I327 HydrophobicContact CB-CG1 4.4Å; L323-I327 WeakPolarHBondContact O-CG1 3.37Å; L323-I327 PolarHBondContact O-N 2.96Å; G324-I327 PolarHBondContact O-N 3.45Å; I327-A329 PolarHBondContact O-N 3.15Å; I327-A329 VanDerWaalsContact O-N 3.14Å; I327-H330 PolarHBondContact O-N 2.93Å; I327-H330 PolarHBondContact O-ND1 2.85Å; I327-V333 HydrophobicContact CG2-CG1 4.04Å; I327-V333 HydrophobicContact CG2-CG2 4.1Å; I327-Y467 HydrophobicContact CD1-CG 4.49Å; I327-Y467 HydrophobicContact CG1-CD1 4.45Å; I327-Y467 HydrophobicContact CG1-CD2 4.02Å; I327-Y467 HydrophobicContact CG1-CE1 4.31Å; I327-Y467 HydrophobicContact CG1-CE2 3.89Å; I327-Y467 HydrophobicContact CG1-CG 4.29Å
328	D	98.8	Very high	98.4	Very high	48 Å²	48	44.3 Å²	44.3	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-67.9	-14.2	-177.4	-75.5	-14.3	0	0	0	113.8	G324 H330 G349 N350 K351	G324-D328 WeakPolarHBondContact O-CB 3.32Å; G324-D328 PolarHBondContact O-N 3.08Å; D328-H330 PolarHBondContact O-N 3.26Å; D328-G349 WeakPolarHBondContact OD1-CA 3.38Å; D328-G349 WeakPolarHBondContact OD2-CA 3.43Å; D328-N350 PolarHBondContact OD1-N 3.15Å; D328-N350 PolarHBondContact OD2-N 2.93Å; D328-K351 WeakPolarHBondContact O-CE 3.45Å; D328-K351 PolarHBondContact O-NZ 3.45Å; D328-K351 WeakPolarHBondContact OD1-CB 3.47Å; D328-K351 PolarHBondContact OD1-N 2.97Å
329	A	98.7	Very high	98.4	Very high	78 Å²	78	44.4 Å²	44.4	65%	0.645	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.1	175	0	0	0	0	0	113.9	K325 E326 I327	K325-A329 PolarHBondContact O-N 3.45Å; E326-A329 WeakPolarHBondContact O-CB 3.35Å; E326-A329 PolarHBondContact O-N 3.11Å; I327-A329 PolarHBondContact O-N 3.15Å; I327-A329 VanDerWaalsContact O-N 3.14Å
330	H	98.6	Very high	98.3	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.046	22%	0.222	C	C	.	.	S	Bend	trans	-76.5	156.4	-179.7	-63.5	75.4	0	0	0	112.3	C309 A310 E326 I327 D328 A332 K351 H465 Y467	C309-H330 PolarHBondContact O-CD2 3.27Å; A310-H330 HydrophobicContact CB-CB 4.2Å; E326-H330 PolarHBondContact O-CE1 2.72Å; E326-H330 PolarHBondContact O-ND1 3.29Å; I327-H330 PolarHBondContact O-N 2.93Å; I327-H330 PolarHBondContact O-ND1 2.85Å; D328-H330 PolarHBondContact O-N 3.26Å; H330-A332 VanDerWaalsContact C-N 3.35Å; H330-K351 PolarHBondContact O-NZ 2.8Å; H330-H465 AromaticContact CD2-ND1 3.99Å; H330-H465 AromaticContact CE1-ND1 3.6Å; H330-H465 AromaticContact NE2-CE1 3.73Å; H330-H465 AromaticContact NE2-CG 3.54Å; H330-H465 AromaticContact NE2-ND1 2.83Å; H330-H465 PolarHBondContact NE2-ND1 3.43Å; H330-Y467 PolarHBondContact CE1-OH 3.18Å
331	D	97	Very high	98.4	Very high	79 Å²	79	37.2 Å²	37.2	42%	0.422	19%	0.193	S	C	.	.	S	Bend	trans	-65.8	-40.4	177.6	-59.1	-49.7	0	0	0	111.3	F306 K307 S308	F306-D331 HydrophobicContact CB-CB 4.24Å; F306-D331 HydrophobicContact CD1-CB 3.92Å; K307-D331 WeakPolarHBondContact CA-OD2 3.48Å; K307-D331 WeakPolarHBondContact CB-OD2 3.15Å; K307-D331 PolarHBondContact N-OD2 2.65Å; S308-D331 PolarHBondContact N-OD2 3.07Å; S308-D331 WeakPolarHBondContact O-CB 3.27Å; S308-D331 PolarHBondContact O-N 3.05Å; S308-D331 PolarHBondContact OG-OD2 3.39Å
332	A	97.6	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.6	177.8	0	0	0	0	0	112.6	F306 C309 A310 H330 T353 M457	F306-A332 HydrophobicContact CD1-CB 3.83Å; F306-A332 HydrophobicContact CD2-CB 3.78Å; F306-A332 HydrophobicContact CE1-CB 3.89Å; F306-A332 HydrophobicContact CE2-CB 3.84Å; F306-A332 HydrophobicContact CG-CB 3.79Å; F306-A332 HydrophobicContact CZ-CB 3.89Å; C309-A332 CarbonylContact C-O 3.6Å; C309-A332 VanDerWaalsContact CA-O 3.31Å; C309-A332 WeakPolarHBondContact CA-O 3.06Å; A310-A332 PolarHBondContact N-O 3.22Å; H330-A332 VanDerWaalsContact C-N 3.35Å; A332-T353 WeakPolarHBondContact CA-OG1 3.35Å; A332-T353 HydrophobicContact CB-CG2 3.93Å; A332-M457 HydrophobicContact CB-CE 4.07Å
333	V	98.9	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.7	177.2	-178	0	0	0	0	109.9	A310 V312 I327 R335 K351 T353 I354	A310-V333 HydrophobicContact CB-CG1 4.47Å; A310-V333 HydrophobicContact CB-CG2 4.24Å; A310-V333 CarbonylContact O-C 3.39Å; A310-V333 WeakPolarHBondContact O-CA 3.35Å; V312-V333 HydrophobicContact CG2-CG1 3.82Å; I327-V333 HydrophobicContact CG2-CG1 4.04Å; I327-V333 HydrophobicContact CG2-CG2 4.1Å; V333-R335 HydrophobicContact CG1-CG 4.3Å; V333-K351 HydrophobicContact CB-CG 4.35Å; V333-K351 WeakPolarHBondContact CB-O 3.45Å; V333-K351 WeakPolarHBondContact CG1-O 3.33Å; V333-K351 HydrophobicContact CG2-CB 3.97Å; V333-K351 HydrophobicContact CG2-CD 3.79Å; V333-K351 HydrophobicContact CG2-CG 3.92Å; V333-T353 PolarHBondContact N-OG1 3.5Å; V333-T353 VanDerWaalsContact N-OG1 3.12Å; V333-T353 PolarHBondContact O-N 3.31Å; V333-I354 PolarHBondContact O-N 3.14Å; V333-I354 VanDerWaalsContact O-N 3.14Å
334	L	98.9	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.9	172.5	177.8	71.8	0	0	0	110.4	A310 V311 V312 F336 I354 I356 G453 M457	A310-L334 PolarHBondContact O-N 3.43Å; V311-L334 HydrophobicContact CG1-CD2 4.27Å; V311-L334 HydrophobicContact CG2-CB 4.34Å; V311-L334 HydrophobicContact CG2-CD2 4.17Å; V312-L334 PolarHBondContact N-O 3.05Å; L334-F336 HydrophobicContact CD2-CE1 3.99Å; L334-F336 HydrophobicContact CD2-CZ 3.86Å; L334-F336 HydrophobicContact CG-CE1 4.4Å; L334-F336 HydrophobicContact CG-CZ 4.28Å; L334-I354 WeakPolarHBondContact CA-O 3.08Å; L334-I354 HydrophobicContact CD1-CB 3.69Å; L334-I354 HydrophobicContact CD1-CG2 3.54Å; L334-I356 HydrophobicContact CD1-CB 4.48Å; L334-I356 HydrophobicContact CD1-CD1 3.94Å; L334-I356 HydrophobicContact CD1-CG1 3.89Å; L334-I356 HydrophobicContact CD2-CD1 3.86Å; L334-G453 WeakPolarHBondContact CD2-O 3.09Å; L334-M457 HydrophobicContact CB-CE 4.2Å; L334-M457 HydrophobicContact CB-CG 3.8Å; L334-M457 HydrophobicContact CB-SD 3.84Å; L334-M457 HydrophobicContact CD2-CG 3.65Å; L334-M457 HydrophobicContact CD2-SD 4.33Å; L334-M457 HydrophobicContact CG-CG 4.28Å; L334-M457 HydrophobicContact CG-SD 4.48Å
335	R	98.9	Very high	98.4	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	170.5	171.7	-60.9	-171.8	-170.8	-95.3	-9.3	111.8	V333 V348 G349 K351 T352 I354 R355 I356	V333-R335 HydrophobicContact CG1-CG 4.3Å; R335-V348 VanDerWaalsContact CZ-O 3.31Å; R335-V348 PolarHBondContact NH1-O 3.42Å; R335-V348 VanDerWaalsContact NH1-O 3.08Å; R335-V348 PolarHBondContact NH2-O 3.12Å; R335-G349 PolarHBondContact NH2-O 3.07Å; R335-K351 PolarHBondContact NE-O 2.89Å; R335-K351 VanDerWaalsContact NE-O 3.17Å; R335-K351 PolarHBondContact NH2-O 3.05Å; R335-T352 HydrophobicContact CB-CG2 4.32Å; R335-T352 VanDerWaalsContact CD-OG1 3.24Å; R335-T352 WeakPolarHBondContact CD-OG1 3.25Å; R335-T352 HydrophobicContact CG-CG2 4.22Å; R335-T352 PolarHBondContact NE-OG1 3.15Å; R335-I354 PolarHBondContact N-O 3.08Å; R335-R355 WeakPolarHBondContact O-CA 3.39Å; R335-I356 PolarHBondContact O-N 3.4Å
336	F	98.8	Very high	98.4	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.9	-174	-56.3	-77.1	0	0	0	112.2	V311 V312 L334 A338 A339 R355 I356 S449	V311-F336 HydrophobicContact CG1-CE2 3.7Å; V311-F336 HydrophobicContact CG1-CZ 3.56Å; V312-F336 VanDerWaalsContact O-CD2 3.27Å; V312-F336 WeakPolarHBondContact O-CD2 3.39Å; V312-F336 WeakPolarHBondContact O-CE2 3.38Å; L334-F336 HydrophobicContact CD2-CE1 3.99Å; L334-F336 HydrophobicContact CD2-CZ 3.86Å; L334-F336 HydrophobicContact CG-CE1 4.4Å; L334-F336 HydrophobicContact CG-CZ 4.28Å; F336-A338 PolarHBondContact O-N 3.07Å; F336-A339 WeakPolarHBondContact O-CB 3.34Å; F336-A339 PolarHBondContact O-N 3.05Å; F336-A339 VanDerWaalsContact O-N 3.08Å; F336-R355 PolarHBondContact O-NH1 3.25Å; F336-I356 CarbonylContact C-O 3.54Å; F336-I356 WeakPolarHBondContact CA-O 3.35Å; F336-I356 HydrophobicContact CD1-CB 4.09Å; F336-I356 HydrophobicContact CD1-CG2 4.44Å; F336-I356 HydrophobicContact CE1-CB 4.35Å; F336-I356 HydrophobicContact CE1-CD1 4.31Å; F336-S449 WeakPolarHBondContact CE1-O 3.34Å
337	N	98.3	Very high	98.4	Very high	30 Å²	30	39.1 Å²	39.1	16%	0.16	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	-133.2	165.8	-63.9	-27.9	0	0	0	112.2	A339 R355 I356 I357 N358 I361 Y375	N337-A339 VanDerWaalsContact C-N 3.32Å; N337-A339 PolarHBondContact O-N 3.45Å; N337-R355 WeakPolarHBondContact O-CD 3.28Å; N337-R355 PolarHBondContact O-NH1 2.84Å; N337-I356 PolarHBondContact N-O 2.83Å; N337-I357 WeakPolarHBondContact OD1-CA 3.12Å; N337-N358 PolarHBondContact OD1-N 3.46Å; N337-I361 HydrophobicContact CB-CD1 3.89Å; N337-I361 HydrophobicContact CB-CG1 4.03Å; N337-Y375 WeakPolarHBondContact O-CE1 3.25Å
338	A	97.1	Very high	98.4	Very high	28 Å²	28	39.1 Å²	39.1	23%	0.231	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	12	-179.9	0	0	0	0	0	114.2	F336 P340 I361 I374 Y375	F336-A338 PolarHBondContact O-N 3.07Å; A338-P340 VanDerWaalsContact O-CD 3.25Å; A338-P340 WeakPolarHBondContact O-CD 3.11Å; A338-P340 VanDerWaalsContact O-N 3.13Å; A338-I361 HydrophobicContact CB-CD1 4.4Å; A338-I374 HydrophobicContact CB-CD1 4.4Å; A338-Y375 WeakPolarHBondContact CA-OH 2.96Å; A338-Y375 WeakPolarHBondContact CB-OH 3.22Å
339	A	97.9	Very high	98.4	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	21%	0.212	C	C	.	.			trans	-63.9	114.9	-173.9	0	0	0	0	0	111.3	F336 N337 R355 Y481	F336-A339 WeakPolarHBondContact O-CB 3.34Å; F336-A339 PolarHBondContact O-N 3.05Å; F336-A339 VanDerWaalsContact O-N 3.08Å; N337-A339 VanDerWaalsContact C-N 3.32Å; N337-A339 PolarHBondContact O-N 3.45Å; A339-R355 PolarHBondContact O-NH1 2.96Å; A339-R355 PolarHBondContact O-NH2 2.87Å; A339-Y481 HydrophobicContact CB-CE1 4.34Å; A339-Y481 VanDerWaalsContact CB-OH 3.3Å; A339-Y481 WeakPolarHBondContact CB-OH 3.4Å
340	P	97.9	Very high	98.4	Very high	28 Å²	28	37.7 Å²	37.7	18%	0.182	21%	0.206	C	C	.	.			trans	-85.4	160.4	-172.3	34.8	-34.9	0	0	0	112.3	A338 Y344 Y481 H482	A338-P340 VanDerWaalsContact O-CD 3.25Å; A338-P340 WeakPolarHBondContact O-CD 3.11Å; A338-P340 VanDerWaalsContact O-N 3.13Å; P340-Y344 HydrophobicContact CG-CD2 4.1Å; P340-Y344 HydrophobicContact CG-CE2 4.05Å; P340-Y481 HydrophobicContact CG-CE2 4.27Å; P340-Y481 WeakPolarHBondContact O-CE2 3.5Å; P340-Y481 PolarHBondContact O-OH 3.45Å; P340-H482 HydrophobicContact CG-CB 3.65Å
341	T	98.5	Very high	98.3	Very high	21 Å²	21	40.9 Å²	40.9	13%	0.129	22%	0.22	C	C	.	.			trans	-100.6	-34.6	167.6	49.8	0	0	0	0	112.3	G343 Y344 E345 G349 N350	T341-G343 PolarHBondContact O-N 3.3Å; T341-Y344 CarbonylContact O-C 3.42Å; T341-Y344 PolarHBondContact O-N 3.21Å; T341-E345 VanDerWaalsContact O-CD 3.29Å; T341-E345 WeakPolarHBondContact O-CG 3.34Å; T341-E345 PolarHBondContact O-N 3.01Å; T341-G349 WeakPolarHBondContact CB-O 3.41Å; T341-G349 WeakPolarHBondContact CG2-O 3.34Å; T341-N350 PolarHBondContact OG1-OD1 2.75Å
342	E	98.3	Very high	98.4	Very high	157 Å²	157	38.7 Å²	38.7	73%	0.734	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	125.4	-177.8	-171.3	173.5	179.7	0	0	111.4	Y344 E345	E342-Y344 VanDerWaalsContact C-N 3.27Å; E342-Y344 VanDerWaalsContact O-CD2 3.3Å; E342-Y344 WeakPolarHBondContact O-CD2 3.33Å; E342-Y344 PolarHBondContact O-N 2.78Å; E342-E345 VanDerWaalsContact CA-OE1 3.31Å; E342-E345 WeakPolarHBondContact CA-OE1 3.47Å
343	G	98.2	Very high	98.5	Very high	63 Å²	63	40.5 Å²	40.5	65%	0.649	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	-4.2	-177.3	0	0	0	0	0	115	T341 E345	T341-G343 PolarHBondContact O-N 3.3Å; G343-E345 WeakPolarHBondContact CA-OE2 3.11Å; G343-E345 PolarHBondContact N-OE1 2.97Å; G343-E345 PolarHBondContact N-OE2 3Å
344	Y	98.6	Very high	98.5	Very high	68 Å²	68	40.6 Å²	40.6	27%	0.267	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	5.4	-178.8	-61.5	-80.6	0	0	0	113.1	L319 P340 T341 E342 H346 D347 V348 Y481 H482	L319-Y344 HydrophobicContact CD2-CD1 3.71Å; L319-Y344 HydrophobicContact CD2-CE1 3.83Å; P340-Y344 HydrophobicContact CG-CD2 4.1Å; P340-Y344 HydrophobicContact CG-CE2 4.05Å; T341-Y344 CarbonylContact O-C 3.42Å; T341-Y344 PolarHBondContact O-N 3.21Å; E342-Y344 VanDerWaalsContact C-N 3.27Å; E342-Y344 VanDerWaalsContact O-CD2 3.3Å; E342-Y344 WeakPolarHBondContact O-CD2 3.33Å; E342-Y344 PolarHBondContact O-N 2.78Å; Y344-H346 PolarHBondContact O-N 2.87Å; Y344-D347 PolarHBondContact O-N 3.02Å; Y344-V348 WeakPolarHBondContact O-CG2 3.2Å; Y344-V348 PolarHBondContact O-N 2.74Å; Y344-Y481 AromaticContact CD1-CD2 3.73Å; Y344-Y481 HydrophobicContact CD1-CD2 3.73Å; Y344-Y481 HydrophobicContact CD1-CE2 4.35Å; Y344-Y481 HydrophobicContact CD2-CD2 4.07Å; Y344-Y481 AromaticContact CD2-CE2 3.98Å; Y344-Y481 HydrophobicContact CD2-CE2 3.98Å; Y344-Y481 AromaticContact CE1-CD2 3.98Å; Y344-Y481 HydrophobicContact CE1-CD2 3.98Å; Y344-Y481 WeakPolarHBondContact CE1-O 3.48Å; Y344-Y481 HydrophobicContact CE2-CD2 4.31Å; Y344-Y481 HydrophobicContact CE2-CE2 4.46Å; Y344-Y481 AromaticContact CG-CD2 3.79Å; Y344-Y481 HydrophobicContact CG-CD2 3.79Å; Y344-Y481 AromaticContact CG-CE2 3.93Å; Y344-Y481 HydrophobicContact CG-CE2 3.93Å; Y344-Y481 PolarHBondContact OH-O 3.2Å; Y344-H482 HydrophobicContact CE2-CB 3.97Å; Y344-H482 WeakPolarHBondContact OH-CA 2.95Å
345	E	98.7	Very high	98.4	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-57.4	-32.4	-166.6	-59.3	86.2	163.1	0	0	112.8	G324 T341 E342 G343 D347 G349 N350	G324-E345 WeakPolarHBondContact CA-O 3.38Å; T341-E345 VanDerWaalsContact O-CD 3.29Å; T341-E345 WeakPolarHBondContact O-CG 3.34Å; T341-E345 PolarHBondContact O-N 3.01Å; E342-E345 VanDerWaalsContact CA-OE1 3.31Å; E342-E345 WeakPolarHBondContact CA-OE1 3.47Å; G343-E345 WeakPolarHBondContact CA-OE2 3.11Å; G343-E345 PolarHBondContact N-OE1 2.97Å; G343-E345 PolarHBondContact N-OE2 3Å; E345-D347 VanDerWaalsContact C-N 3.27Å; E345-D347 PolarHBondContact O-N 2.72Å; E345-G349 WeakPolarHBondContact O-CA 3.34Å; E345-G349 PolarHBondContact O-N 2.89Å; E345-N350 HydrophobicContact CG-CB 4.24Å
346	H	98.6	Very high	98.4	Very high	108 Å²	108	40.7 Å²	40.7	50%	0.5	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-34.4	177.8	-177.8	-103.7	0	0	0	112.8	R322 L323 G324 Y344	R322-H346 CarbonylContact C-O 3.2Å; R322-H346 VanDerWaalsContact CA-O 3.25Å; R322-H346 WeakPolarHBondContact CA-O 3.46Å; R322-H346 WeakPolarHBondContact CD-CE1 3.29Å; R322-H346 WeakPolarHBondContact CG-CE1 3.16Å; L323-H346 PolarHBondContact N-O 3.2Å; G324-H346 WeakPolarHBondContact CA-O 3.16Å; G324-H346 PolarHBondContact N-O 3.31Å; Y344-H346 PolarHBondContact O-N 2.87Å
347	D	98.8	Very high	98.4	Very high	14 Å²	14	40.4 Å²	40.4	8%	0.075	22%	0.22	C	C	.	.	H	α-helix	trans	-98.4	-39.1	-176.9	-66.7	-32.6	0	0	0	111.8	I318 H320 S321 R322 G324 Y344 E345	I318-D347 WeakPolarHBondContact O-CB 3.49Å; H320-D347 WeakPolarHBondContact CA-OD1 3.44Å; H320-D347 PolarHBondContact N-OD1 2.7Å; H320-D347 PolarHBondContact N-OD2 3.07Å; S321-D347 PolarHBondContact N-OD1 3.2Å; S321-D347 VanDerWaalsContact N-OD1 3.08Å; R322-D347 PolarHBondContact N-OD1 2.91Å; G324-D347 PolarHBondContact N-O 3.21Å; Y344-D347 PolarHBondContact O-N 3.02Å; E345-D347 VanDerWaalsContact C-N 3.27Å; E345-D347 PolarHBondContact O-N 2.72Å
348	V	98.8	Very high	98.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-110.7	-5.7	-172.2	-47.8	0	0	0	0	114.1	V312 I318 R335 Y344 Y481	V312-V348 HydrophobicContact CG1-CB 4.35Å; I318-V348 HydrophobicContact CD1-CG1 3.95Å; I318-V348 HydrophobicContact CG1-CG1 4.19Å; I318-V348 HydrophobicContact CG2-CG1 3.74Å; R335-V348 VanDerWaalsContact CZ-O 3.31Å; R335-V348 PolarHBondContact NH1-O 3.42Å; R335-V348 VanDerWaalsContact NH1-O 3.08Å; R335-V348 PolarHBondContact NH2-O 3.12Å; Y344-V348 WeakPolarHBondContact O-CG2 3.2Å; Y344-V348 PolarHBondContact O-N 2.74Å; V348-Y481 HydrophobicContact CG1-CD1 4.3Å; V348-Y481 HydrophobicContact CG1-CD2 4.45Å; V348-Y481 HydrophobicContact CG1-CE1 4.09Å; V348-Y481 HydrophobicContact CG1-CE2 4.27Å; V348-Y481 HydrophobicContact CG1-CG 4.48Å
349	G	98.8	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.			trans	74.2	175.5	-175.6	0	0	0	0	0	112.7	D328 R335 T341 E345	D328-G349 WeakPolarHBondContact OD1-CA 3.38Å; D328-G349 WeakPolarHBondContact OD2-CA 3.43Å; R335-G349 PolarHBondContact NH2-O 3.07Å; T341-G349 WeakPolarHBondContact CB-O 3.41Å; T341-G349 WeakPolarHBondContact CG2-O 3.34Å; E345-G349 WeakPolarHBondContact O-CA 3.34Å; E345-G349 PolarHBondContact O-N 2.89Å
350	N	98.3	Very high	98.3	Very high	97 Å²	97	40 Å²	40	52%	0.519	21%	0.213	S	C	.	.	S	Bend	trans	-109.1	-19.9	179.7	-164.2	25.9	0	0	0	113.4	D328 T341 E345	D328-N350 PolarHBondContact OD1-N 3.15Å; D328-N350 PolarHBondContact OD2-N 2.93Å; T341-N350 PolarHBondContact OG1-OD1 2.75Å; E345-N350 HydrophobicContact CG-CB 4.24Å
351	K	98.6	Very high	98.3	Very high	77 Å²	77	38.9 Å²	38.9	34%	0.335	21%	0.205	S	C	.	.			trans	-72	136.4	-177.1	-173.9	-177.7	-74.4	169.8	0	111	D328 H330 V333 R335	D328-K351 WeakPolarHBondContact O-CE 3.45Å; D328-K351 PolarHBondContact O-NZ 3.45Å; D328-K351 WeakPolarHBondContact OD1-CB 3.47Å; D328-K351 PolarHBondContact OD1-N 2.97Å; H330-K351 PolarHBondContact O-NZ 2.8Å; V333-K351 HydrophobicContact CB-CG 4.35Å; V333-K351 WeakPolarHBondContact CB-O 3.45Å; V333-K351 WeakPolarHBondContact CG1-O 3.33Å; V333-K351 HydrophobicContact CG2-CB 3.97Å; V333-K351 HydrophobicContact CG2-CD 3.79Å; V333-K351 HydrophobicContact CG2-CG 3.92Å; R335-K351 PolarHBondContact NE-O 2.89Å; R335-K351 VanDerWaalsContact NE-O 3.17Å; R335-K351 PolarHBondContact NH2-O 3.05Å
352	T	98.7	Very high	98.1	Very high	33 Å²	33	38.5 Å²	38.5	20%	0.202	20%	0.203	C	C	.	.			trans	-138.1	126.1	166.1	-54.4	0	0	0	0	108.1	R335 I378	R335-T352 HydrophobicContact CB-CG2 4.32Å; R335-T352 VanDerWaalsContact CD-OG1 3.24Å; R335-T352 WeakPolarHBondContact CD-OG1 3.25Å; R335-T352 HydrophobicContact CG-CG2 4.22Å; R335-T352 PolarHBondContact NE-OG1 3.15Å; T352-I378 HydrophobicContact CG2-CD1 3.99Å; T352-I378 HydrophobicContact CG2-CG2 4.31Å; T352-I378 WeakPolarHBondContact O-CG2 3.5Å
353	T	98.4	Very high	97.9	Very high	38 Å²	38	32.8 Å²	32.8	23%	0.233	18%	0.182	C	C	.	.	S	Bend	trans	-111	-43.4	179.2	-49.6	0	0	0	0	110.7	F306 A332 V333 T379	F306-T353 HydrophobicContact CZ-CG2 4.28Å; A332-T353 WeakPolarHBondContact CA-OG1 3.35Å; A332-T353 HydrophobicContact CB-CG2 3.93Å; V333-T353 PolarHBondContact N-OG1 3.5Å; V333-T353 VanDerWaalsContact N-OG1 3.12Å; V333-T353 PolarHBondContact O-N 3.31Å; T353-T379 PolarHBondContact O-N 2.54Å; T353-T379 VanDerWaalsContact O-N 3.08Å
354	I	98.7	Very high	97.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	179.1	-51.6	-178.3	0	0	0	107.6	L296 V333 L334 R335 T379 V381 L456 M457 L460	L296-I354 HydrophobicContact CD1-CD1 4.48Å; V333-I354 PolarHBondContact O-N 3.14Å; V333-I354 VanDerWaalsContact O-N 3.14Å; L334-I354 WeakPolarHBondContact CA-O 3.08Å; L334-I354 HydrophobicContact CD1-CB 3.69Å; L334-I354 HydrophobicContact CD1-CG2 3.54Å; R335-I354 PolarHBondContact N-O 3.08Å; I354-T379 CarbonylContact C-O 3.43Å; I354-T379 WeakPolarHBondContact CA-O 3.5Å; I354-T379 HydrophobicContact CG2-CG2 4.21Å; I354-V381 HydrophobicContact CG2-CG2 4.07Å; I354-L456 HydrophobicContact CD1-CD2 4.35Å; I354-M457 HydrophobicContact CD1-SD 3.89Å; I354-L460 HydrophobicContact CD1-CD1 3.7Å
355	R	98.8	Very high	97.5	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.9	170.6	-176.9	177.5	-72.7	-79.2	-1.2	110.3	R335 F336 N337 A339 I357 I374 I378 T379 L380 V381	R335-R355 WeakPolarHBondContact O-CA 3.39Å; F336-R355 PolarHBondContact O-NH1 3.25Å; N337-R355 WeakPolarHBondContact O-CD 3.28Å; N337-R355 PolarHBondContact O-NH1 2.84Å; A339-R355 PolarHBondContact O-NH1 2.96Å; A339-R355 PolarHBondContact O-NH2 2.87Å; R355-I357 HydrophobicContact CG-CG2 3.94Å; R355-I374 PolarHBondContact NE-O 3.02Å; R355-I378 HydrophobicContact CB-CD1 3.5Å; R355-I378 VanDerWaalsContact CB-CD1 3.5Å; R355-I378 HydrophobicContact CG-CD1 4.45Å; R355-T379 PolarHBondContact N-O 3.41Å; R355-L380 HydrophobicContact CB-CD2 4.15Å; R355-V381 PolarHBondContact O-N 3.42Å
356	I	98.7	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130	170.5	-72.8	166.5	0	0	0	108.6	L334 R335 F336 N337 V381 I452 L456	L334-I356 HydrophobicContact CD1-CB 4.48Å; L334-I356 HydrophobicContact CD1-CD1 3.94Å; L334-I356 HydrophobicContact CD1-CG1 3.89Å; L334-I356 HydrophobicContact CD2-CD1 3.86Å; R335-I356 PolarHBondContact O-N 3.4Å; F336-I356 CarbonylContact C-O 3.54Å; F336-I356 WeakPolarHBondContact CA-O 3.35Å; F336-I356 HydrophobicContact CD1-CB 4.09Å; F336-I356 HydrophobicContact CD1-CG2 4.44Å; F336-I356 HydrophobicContact CE1-CB 4.35Å; F336-I356 HydrophobicContact CE1-CD1 4.31Å; N337-I356 PolarHBondContact N-O 2.83Å; I356-V381 CarbonylContact C-O 3.59Å; I356-V381 VanDerWaalsContact CA-O 3.25Å; I356-V381 WeakPolarHBondContact CA-O 3.25Å; I356-V381 HydrophobicContact CG1-CB 3.92Å; I356-V381 HydrophobicContact CG1-CG1 4.2Å; I356-I452 HydrophobicContact CD1-CG2 4.44Å; I356-L456 HydrophobicContact CD1-CD1 4.07Å
357	I	98.3	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.8	177.8	62.6	-178	0	0	0	109.4	N337 R355 I361 L362 F369 Y375 V381 A382 W383 F419	N337-I357 WeakPolarHBondContact OD1-CA 3.12Å; R355-I357 HydrophobicContact CG-CG2 3.94Å; I357-I361 HydrophobicContact CB-CB 4.06Å; I357-I361 HydrophobicContact CB-CG1 4.15Å; I357-I361 HydrophobicContact CB-CG2 4.19Å; I357-I361 HydrophobicContact CD1-CG2 4.48Å; I357-I361 HydrophobicContact CG2-CG2 4.17Å; I357-L362 HydrophobicContact CD1-CD1 4.32Å; I357-L362 HydrophobicContact CD1-CD2 4.08Å; I357-L362 HydrophobicContact CD1-CG 4.07Å; I357-F369 HydrophobicContact CD1-CD2 4.18Å; I357-F369 HydrophobicContact CD1-CE2 3.56Å; I357-F369 HydrophobicContact CD1-CZ 4.25Å; I357-Y375 HydrophobicContact CG2-CD1 4.27Å; I357-Y375 HydrophobicContact CG2-CE1 3.87Å; I357-V381 PolarHBondContact N-O 2.84Å; I357-A382 HydrophobicContact CD1-CB 4.43Å; I357-A382 HydrophobicContact CG1-CB 3.99Å; I357-A382 CarbonylContact O-C 3.56Å; I357-A382 VanDerWaalsContact O-CA 3.26Å; I357-A382 WeakPolarHBondContact O-CA 3.44Å; I357-W383 PolarHBondContact O-N 3.45Å; I357-F419 HydrophobicContact CD1-CE2 4.06Å; I357-F419 HydrophobicContact CD1-CZ 3.95Å
358	N	97.8	Very high	96.8	Very high	18 Å²	18	39 Å²	39	10%	0.096	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	166.1	165.6	67.5	30.2	0	0	0	110.2	N337 Q360 I361 W383	N337-N358 PolarHBondContact OD1-N 3.46Å; N358-Q360 PolarHBondContact O-N 3.13Å; N358-Q360 VanDerWaalsContact OD1-CB 3.28Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.27Å; N358-Q360 PolarHBondContact OD1-N 2.78Å; N358-Q360 VanDerWaalsContact OD1-N 3.11Å; N358-I361 WeakPolarHBondContact O-CB 3.34Å; N358-I361 PolarHBondContact O-N 2.89Å; N358-I361 VanDerWaalsContact O-N 3.17Å; N358-I361 PolarHBondContact OD1-N 3.49Å; N358-W383 CarbonylContact C-O 3.56Å; N358-W383 WeakPolarHBondContact CA-O 3.27Å; N358-W383 HydrophobicContact CB-CZ2 4Å
359	S	97.8	Very high	96.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-22.6	179	53.2	0	0	0	0	114.4	I361 L362 A363 W383 D384	S359-I361 VanDerWaalsContact C-N 3.29Å; S359-I361 PolarHBondContact O-N 2.02Å; S359-L362 PolarHBondContact O-N 3Å; S359-A363 PolarHBondContact O-N 3.41Å; S359-W383 PolarHBondContact N-O 2.78Å; S359-D384 WeakPolarHBondContact CB-OD1 3.33Å; S359-D384 PolarHBondContact OG-OD1 2.96Å
360	Q	95.8	Very high	96.3	Very high	31 Å²	31	43.8 Å²	43.8	15%	0.145	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-33.7	175.2	-60.9	178.2	33.2	0	0	112.2	S136 N358 L362 A363 N364 Y401	S136-Q360 PolarHBondContact OG-OE1 2.81Å; N358-Q360 PolarHBondContact O-N 3.13Å; N358-Q360 VanDerWaalsContact OD1-CB 3.28Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.27Å; N358-Q360 PolarHBondContact OD1-N 2.78Å; N358-Q360 VanDerWaalsContact OD1-N 3.11Å; Q360-L362 PolarHBondContact O-N 2.72Å; Q360-A363 PolarHBondContact O-N 3.36Å; Q360-N364 VanDerWaalsContact O-CB 3.28Å; Q360-N364 WeakPolarHBondContact O-CB 2.98Å; Q360-N364 PolarHBondContact O-N 3.25Å; Q360-Y401 HydrophobicContact CG-CD1 3.92Å; Q360-Y401 HydrophobicContact CG-CD2 3.4Å; Q360-Y401 HydrophobicContact CG-CE1 3.78Å; Q360-Y401 HydrophobicContact CG-CE2 3.28Å; Q360-Y401 HydrophobicContact CG-CG 3.74Å; Q360-Y401 VanDerWaalsContact CG-CZ 3.47Å
361	I	96.8	Very high	96.2	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-36.7	175.9	-62.1	-55.4	0	0	0	111.5	N337 A338 I357 N358 S359 H367 F369 Y375	N337-I361 HydrophobicContact CB-CD1 3.89Å; N337-I361 HydrophobicContact CB-CG1 4.03Å; A338-I361 HydrophobicContact CB-CD1 4.4Å; I357-I361 HydrophobicContact CB-CB 4.06Å; I357-I361 HydrophobicContact CB-CG1 4.15Å; I357-I361 HydrophobicContact CB-CG2 4.19Å; I357-I361 HydrophobicContact CD1-CG2 4.48Å; I357-I361 HydrophobicContact CG2-CG2 4.17Å; N358-I361 WeakPolarHBondContact O-CB 3.34Å; N358-I361 PolarHBondContact O-N 2.89Å; N358-I361 VanDerWaalsContact O-N 3.17Å; N358-I361 PolarHBondContact OD1-N 3.49Å; S359-I361 VanDerWaalsContact C-N 3.29Å; S359-I361 PolarHBondContact O-N 2.02Å; I361-H367 HydrophobicContact CD1-CB 4.37Å; I361-H367 HydrophobicContact CG2-CB 4.29Å; I361-F369 HydrophobicContact CG2-CD2 4.11Å; I361-Y375 HydrophobicContact CG2-CE1 3.84Å; I361-Y375 HydrophobicContact CG2-CE2 4.45Å; I361-Y375 VanDerWaalsContact CG2-OH 3.31Å; I361-Y375 WeakPolarHBondContact CG2-OH 3.4Å
362	L	95.4	Very high	96.1	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-78.1	-36.9	179.3	-67.8	163.9	0	0	0	112.1	I357 S359 Q360 F369 A382 L403 P406 F419	I357-L362 HydrophobicContact CD1-CD1 4.32Å; I357-L362 HydrophobicContact CD1-CD2 4.08Å; I357-L362 HydrophobicContact CD1-CG 4.07Å; S359-L362 PolarHBondContact O-N 3Å; Q360-L362 PolarHBondContact O-N 2.72Å; L362-F369 HydrophobicContact CD2-CD1 3.53Å; L362-F369 HydrophobicContact CD2-CD2 3.96Å; L362-F369 HydrophobicContact CD2-CE1 3.33Å; L362-F369 HydrophobicContact CD2-CE2 3.79Å; L362-F369 HydrophobicContact CD2-CG 3.84Å; L362-F369 HydrophobicContact CD2-CZ 3.48Å; L362-F369 VanDerWaalsContact CD2-CZ 3.48Å; L362-A382 HydrophobicContact CD1-CB 3.93Å; L362-L403 HydrophobicContact CD1-CB 3.7Å; L362-P406 HydrophobicContact CB-CB 4.12Å; L362-P406 HydrophobicContact CB-CG 4.43Å; L362-P406 HydrophobicContact CD2-CB 4.17Å; L362-F419 HydrophobicContact CD1-CZ 4.21Å; L362-F419 HydrophobicContact CD2-CE1 4.32Å; L362-F419 HydrophobicContact CD2-CZ 3.94Å
363	A	94.3	Very high	96	Very high	37 Å²	37	43.8 Å²	43.8	31%	0.306	25%	0.245	S	C	.	.	H	α-helix	trans	-85.3	-29.3	-173.7	0	0	0	0	0	114.1	S359 Q360 Y401	S359-A363 PolarHBondContact O-N 3.41Å; Q360-A363 PolarHBondContact O-N 3.36Å; A363-Y401 HydrophobicContact CB-CD1 4.19Å; A363-Y401 HydrophobicContact CB-CG 4.43Å
364	N	94.3	Very high	95.9	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.262	24%	0.244	S	C	.	.			trans	-95.1	115.4	-175.4	-178.5	-6.1	0	0	0	111.1	Q360 K366 H367	Q360-N364 VanDerWaalsContact O-CB 3.28Å; Q360-N364 WeakPolarHBondContact O-CB 2.98Å; Q360-N364 PolarHBondContact O-N 3.25Å; N364-K366 PolarHBondContact O-N 2.67Å; N364-K366 VanDerWaalsContact O-N 3.09Å; N364-K366 WeakPolarHBondContact OD1-CB 3.04Å; N364-K366 WeakPolarHBondContact OD1-CG 3.25Å; N364-K366 PolarHBondContact OD1-N 2.96Å; N364-K366 VanDerWaalsContact OD1-N 3.08Å; N364-H367 PolarHBondContact O-N 2.88Å; N364-H367 VanDerWaalsContact O-N 3.14Å
365	P	92.6	Very high	95.8	Very high	112 Å²	112	43.9 Å²	43.9	73%	0.727	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-62.8	-20.8	-176	25.6	-35.1	0	0	0	113.7	H367 E368	P365-H367 PolarHBondContact O-N 3.42Å; P365-H367 VanDerWaalsContact O-N 3.13Å; P365-E368 PolarHBondContact O-N 3.31Å
366	K	93.1	Very high	95.7	Very high	148 Å²	148	47.3 Å²	47.3	64%	0.643	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-60.6	-20.9	176.2	-67.7	-175.7	174	-173.2	0	113.8	G138 N364 E368	G138-K366 PolarHBondContact O-NZ 2.89Å; N364-K366 PolarHBondContact O-N 2.67Å; N364-K366 VanDerWaalsContact O-N 3.09Å; N364-K366 WeakPolarHBondContact OD1-CB 3.04Å; N364-K366 WeakPolarHBondContact OD1-CG 3.25Å; N364-K366 PolarHBondContact OD1-N 2.96Å; N364-K366 VanDerWaalsContact OD1-N 3.08Å; K366-E368 VanDerWaalsContact C-N 3.31Å
367	H	93.4	Very high	95.5	Very high	33 Å²	33	55.1 Å²	55.1	15%	0.153	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-85.5	-6.9	176.9	-63.5	-56.3	0	0	0	113.1	I361 N364 P365 F369	I361-H367 HydrophobicContact CD1-CB 4.37Å; I361-H367 HydrophobicContact CG2-CB 4.29Å; N364-H367 PolarHBondContact O-N 2.88Å; N364-H367 VanDerWaalsContact O-N 3.14Å; P365-H367 PolarHBondContact O-N 3.42Å; P365-H367 VanDerWaalsContact O-N 3.13Å; H367-F369 PolarHBondContact O-N 2.91Å; H367-F369 VanDerWaalsContact O-N 3.07Å
368	E	94.9	Very high	95.4	Very high	120 Å²	120	56.1 Å²	56.1	56%	0.561	31%	0.306	S	S	*	.			trans	51.7	38.3	173.7	-66.1	-172.9	180	0	0	112.7	P365 K366 N370 T371 S372	P365-E368 PolarHBondContact O-N 3.31Å; K366-E368 VanDerWaalsContact C-N 3.31Å; E368-N370 VanDerWaalsContact C-N 3.25Å; E368-N370 PolarHBondContact O-N 3.08Å; E368-N370 VanDerWaalsContact O-N 3.1Å; E368-T371 WeakPolarHBondContact CB-OG1 3.36Å; E368-T371 PolarHBondContact O-N 3.04Å; E368-T371 PolarHBondContact O-OG1 3.46Å; E368-S372 VanDerWaalsContact O-CB 3.32Å; E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 2.85Å
369	F	96.4	Very high	95.4	Very high	11 Å²	11	56 Å²	56	5%	0.048	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-43.1	-168.4	172.5	-102.6	0	0	0	113.3	I357 I361 L362 H367 Y375 L380 H410 F419	I357-F369 HydrophobicContact CD1-CD2 4.18Å; I357-F369 HydrophobicContact CD1-CE2 3.56Å; I357-F369 HydrophobicContact CD1-CZ 4.25Å; I361-F369 HydrophobicContact CG2-CD2 4.11Å; L362-F369 HydrophobicContact CD2-CD1 3.53Å; L362-F369 HydrophobicContact CD2-CD2 3.96Å; L362-F369 HydrophobicContact CD2-CE1 3.33Å; L362-F369 HydrophobicContact CD2-CE2 3.79Å; L362-F369 HydrophobicContact CD2-CG 3.84Å; L362-F369 HydrophobicContact CD2-CZ 3.48Å; L362-F369 VanDerWaalsContact CD2-CZ 3.48Å; H367-F369 PolarHBondContact O-N 2.91Å; H367-F369 VanDerWaalsContact O-N 3.07Å; F369-Y375 AromaticContact CD2-CD1 3.99Å; F369-Y375 HydrophobicContact CD2-CD1 3.99Å; F369-Y375 AromaticContact CD2-CD2 3.86Å; F369-Y375 HydrophobicContact CD2-CD2 3.86Å; F369-Y375 HydrophobicContact CD2-CE1 4.32Å; F369-Y375 HydrophobicContact CD2-CE2 4.2Å; F369-Y375 AromaticContact CD2-CG 3.76Å; F369-Y375 HydrophobicContact CD2-CG 3.76Å; F369-Y375 HydrophobicContact CE2-CD1 4.09Å; F369-Y375 AromaticContact CE2-CG 3.99Å; F369-Y375 HydrophobicContact CE2-CG 3.99Å; F369-Y375 WeakPolarHBondContact O-CD2 3.25Å; F369-L380 HydrophobicContact CE2-CD1 3.95Å; F369-L380 HydrophobicContact CZ-CD1 3.86Å; F369-H410 HydrophobicContact CE1-CB 4Å; F369-H410 AromaticContact CE1-CG 3.88Å; F369-H410 AromaticContact CE1-ND1 3.51Å; F369-H410 AromaticContact CZ-ND1 3.78Å; F369-F419 HydrophobicContact CE1-CE1 4.19Å; F369-F419 AromaticContact CZ-CE1 3.65Å; F369-F419 HydrophobicContact CZ-CE1 3.65Å; F369-F419 AromaticContact CZ-CZ 3.9Å; F369-F419 HydrophobicContact CZ-CZ 3.9Å
370	N	92.4	Very high	95.5	Very high	89 Å²	89	56 Å²	56	48%	0.476	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-30.5	-178.4	-68.4	-20.2	0	0	0	113.5	E368	E368-N370 VanDerWaalsContact C-N 3.25Å; E368-N370 PolarHBondContact O-N 3.08Å; E368-N370 VanDerWaalsContact O-N 3.1Å
371	T	94.5	Very high	95.6	Very high	94 Å²	94	54.5 Å²	54.5	58%	0.577	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-35.9	-170.8	46.2	0	0	0	0	112.5	E368 K376	E368-T371 WeakPolarHBondContact CB-OG1 3.36Å; E368-T371 PolarHBondContact O-N 3.04Å; E368-T371 PolarHBondContact O-OG1 3.46Å; T371-K376 PolarHBondContact O-NZ 3.3Å
372	S	96.4	Very high	95.7	Very high	26 Å²	26	54.2 Å²	54.2	18%	0.182	30%	0.297	C	S	.	.			trans	-62.2	138.2	-175.7	-177.1	0	0	0	0	112.7	E368 I374	E368-S372 VanDerWaalsContact O-CB 3.32Å; E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 2.85Å; S372-I374 VanDerWaalsContact C-N 3.28Å; S372-I374 PolarHBondContact O-N 2.82Å; S372-I374 WeakPolarHBondContact OG-CG1 3.45Å
373	S	96.3	Very high	95.9	Very high	87 Å²	87	53.9 Å²	53.9	61%	0.608	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-69.8	-24.3	-179.2	56.2	0	0	0	0	113	Y375 K376	S373-Y375 PolarHBondContact O-N 3.06Å; S373-Y375 VanDerWaalsContact O-N 3.12Å; S373-K376 PolarHBondContact O-N 2.9Å; S373-K376 VanDerWaalsContact O-N 3.07Å
374	I	97	Very high	96.1	Very high	40 Å²	40	52.2 Å²	52.2	21%	0.205	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.5	-15.4	-175	74.7	-177.1	0	0	0	113.7	A338 R355 S372 I378	A338-I374 HydrophobicContact CB-CD1 4.4Å; R355-I374 PolarHBondContact NE-O 3.02Å; S372-I374 VanDerWaalsContact C-N 3.28Å; S372-I374 PolarHBondContact O-N 2.82Å; S372-I374 WeakPolarHBondContact OG-CG1 3.45Å; I374-I378 VanDerWaalsContact O-CD1 3.25Å; I374-I378 WeakPolarHBondContact O-CD1 3.23Å
375	Y	97.8	Very high	96.2	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-102.6	0.6	178.3	-54.9	-65.3	0	0	0	113	N337 A338 I357 I361 F369 S373 L380 Q417	N337-Y375 WeakPolarHBondContact O-CE1 3.25Å; A338-Y375 WeakPolarHBondContact CA-OH 2.96Å; A338-Y375 WeakPolarHBondContact CB-OH 3.22Å; I357-Y375 HydrophobicContact CG2-CD1 4.27Å; I357-Y375 HydrophobicContact CG2-CE1 3.87Å; I361-Y375 HydrophobicContact CG2-CE1 3.84Å; I361-Y375 HydrophobicContact CG2-CE2 4.45Å; I361-Y375 VanDerWaalsContact CG2-OH 3.31Å; I361-Y375 WeakPolarHBondContact CG2-OH 3.4Å; F369-Y375 AromaticContact CD2-CD1 3.99Å; F369-Y375 HydrophobicContact CD2-CD1 3.99Å; F369-Y375 AromaticContact CD2-CD2 3.86Å; F369-Y375 HydrophobicContact CD2-CD2 3.86Å; F369-Y375 HydrophobicContact CD2-CE1 4.32Å; F369-Y375 HydrophobicContact CD2-CE2 4.2Å; F369-Y375 AromaticContact CD2-CG 3.76Å; F369-Y375 HydrophobicContact CD2-CG 3.76Å; F369-Y375 HydrophobicContact CE2-CD1 4.09Å; F369-Y375 AromaticContact CE2-CG 3.99Å; F369-Y375 HydrophobicContact CE2-CG 3.99Å; F369-Y375 WeakPolarHBondContact O-CD2 3.25Å; S373-Y375 PolarHBondContact O-N 3.06Å; S373-Y375 VanDerWaalsContact O-N 3.12Å; Y375-L380 HydrophobicContact CD1-CD2 4.28Å; Y375-Q417 PolarHBondContact O-NE2 2.78Å
376	K	95.6	Very high	96.4	Very high	77 Å²	77	45.3 Å²	45.3	34%	0.335	24%	0.239	S	C	.	.	S	Bend	trans	-101	152.4	-175.5	-64.7	177.1	178.9	168.5	0	111.4	T371 S373 I378	T371-K376 PolarHBondContact O-NZ 3.3Å; S373-K376 PolarHBondContact O-N 2.9Å; S373-K376 VanDerWaalsContact O-N 3.07Å; K376-I378 PolarHBondContact O-N 3.07Å; K376-I378 VanDerWaalsContact O-N 3.16Å
377	N	94.3	Very high	96.6	Very high	163 Å²	163	39.3 Å²	39.3	87%	0.872	22%	0.215	S	C	*	.	S	Bend	trans	56.2	29.1	174.8	-57	-32.8	0	0	0	115.1
378	I	96.9	Very high	96.8	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.108	22%	0.215	C	C	.	.	S	Bend	trans	-137	164.1	177.4	60.6	170.2	0	0	0	110.1	T352 R355 I374 K376 L380 Q417	T352-I378 HydrophobicContact CG2-CD1 3.99Å; T352-I378 HydrophobicContact CG2-CG2 4.31Å; T352-I378 WeakPolarHBondContact O-CG2 3.5Å; R355-I378 HydrophobicContact CB-CD1 3.5Å; R355-I378 VanDerWaalsContact CB-CD1 3.5Å; R355-I378 HydrophobicContact CG-CD1 4.45Å; I374-I378 VanDerWaalsContact O-CD1 3.25Å; I374-I378 WeakPolarHBondContact O-CD1 3.23Å; K376-I378 PolarHBondContact O-N 3.07Å; K376-I378 VanDerWaalsContact O-N 3.16Å; I378-L380 HydrophobicContact CD1-CD2 3.92Å; I378-L380 HydrophobicContact CG1-CD2 4.02Å; I378-L380 PolarHBondContact O-N 3.12Å; I378-Q417 WeakPolarHBondContact O-CG 3.35Å; I378-Q417 PolarHBondContact O-NE2 2.93Å
379	T	98.2	Very high	96.9	Very high	17 Å²	17	39 Å²	39	10%	0.104	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.1	167.8	-63.3	0	0	0	0	109.7	L293 L296 T353 I354 R355 V381 P418 Y420	L293-T379 HydrophobicContact CD1-CG2 4.47Å; L296-T379 HydrophobicContact CD1-CG2 3.63Å; T353-T379 PolarHBondContact O-N 2.54Å; T353-T379 VanDerWaalsContact O-N 3.08Å; I354-T379 CarbonylContact C-O 3.43Å; I354-T379 WeakPolarHBondContact CA-O 3.5Å; I354-T379 HydrophobicContact CG2-CG2 4.21Å; R355-T379 PolarHBondContact N-O 3.41Å; T379-V381 HydrophobicContact CG2-CG2 4.25Å; T379-P418 WeakPolarHBondContact CA-O 3.24Å; T379-P418 HydrophobicContact CG2-CB 4.3Å; T379-Y420 HydrophobicContact CG2-CD2 4.19Å; T379-Y420 HydrophobicContact CG2-CE2 4.09Å
380	L	98.7	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.2	172.7	-64.2	176.9	0	0	0	111	R355 F369 Y375 I378 P418 F419 Y420	R355-L380 HydrophobicContact CB-CD2 4.15Å; F369-L380 HydrophobicContact CE2-CD1 3.95Å; F369-L380 HydrophobicContact CZ-CD1 3.86Å; Y375-L380 HydrophobicContact CD1-CD2 4.28Å; I378-L380 HydrophobicContact CD1-CD2 3.92Å; I378-L380 HydrophobicContact CG1-CD2 4.02Å; I378-L380 PolarHBondContact O-N 3.12Å; L380-P418 PolarHBondContact N-O 3.41Å; L380-F419 HydrophobicContact CB-CB 4.06Å; L380-F419 HydrophobicContact CB-CD2 3.28Å; L380-F419 HydrophobicContact CB-CE2 3.76Å; L380-F419 HydrophobicContact CB-CG 3.74Å; L380-F419 HydrophobicContact CD1-CD1 4.18Å; L380-F419 HydrophobicContact CD1-CD2 4.28Å; L380-F419 HydrophobicContact CD1-CE1 4.37Å; L380-F419 HydrophobicContact CD1-CE2 4.46Å; L380-F419 HydrophobicContact CD1-CG 4.12Å; L380-F419 HydrophobicContact CG-CD2 4.43Å; L380-F419 WeakPolarHBondContact O-CA 3.35Å; L380-Y420 PolarHBondContact O-N 3.36Å
381	V	98.8	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	105.7	174.7	-179.4	0	0	0	0	108.6	L293 I354 R355 I356 I357 T379 Y420 L422 L456	L293-V381 HydrophobicContact CD1-CG2 4.12Å; L293-V381 HydrophobicContact CD2-CG2 4.38Å; I354-V381 HydrophobicContact CG2-CG2 4.07Å; R355-V381 PolarHBondContact O-N 3.42Å; I356-V381 CarbonylContact C-O 3.59Å; I356-V381 VanDerWaalsContact CA-O 3.25Å; I356-V381 WeakPolarHBondContact CA-O 3.25Å; I356-V381 HydrophobicContact CG1-CB 3.92Å; I356-V381 HydrophobicContact CG1-CG1 4.2Å; I357-V381 PolarHBondContact N-O 2.84Å; T379-V381 HydrophobicContact CG2-CG2 4.25Å; V381-Y420 CarbonylContact C-O 3.47Å; V381-Y420 WeakPolarHBondContact CA-O 3.27Å; V381-Y420 HydrophobicContact CG2-CD2 4.47Å; V381-L422 HydrophobicContact CG1-CD1 4.12Å; V381-L422 HydrophobicContact CG1-CD2 3.65Å; V381-L422 HydrophobicContact CG1-CG 3.62Å; V381-L456 HydrophobicContact CG1-CD1 4.15Å; V381-L456 HydrophobicContact CG2-CD1 4.34Å
382	A	98.7	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	152.3	175.3	0	0	0	0	0	111.7	I357 L362 F419 Y420 I421 L422	I357-A382 HydrophobicContact CD1-CB 4.43Å; I357-A382 HydrophobicContact CG1-CB 3.99Å; I357-A382 CarbonylContact O-C 3.56Å; I357-A382 VanDerWaalsContact O-CA 3.26Å; I357-A382 WeakPolarHBondContact O-CA 3.44Å; L362-A382 HydrophobicContact CD1-CB 3.93Å; A382-F419 HydrophobicContact CB-CE2 3.61Å; A382-F419 HydrophobicContact CB-CZ 4.07Å; A382-Y420 PolarHBondContact N-O 2.82Å; A382-I421 HydrophobicContact CB-CG1 4.28Å; A382-I421 CarbonylContact O-C 3.36Å; A382-I421 WeakPolarHBondContact O-CA 3.16Å; A382-L422 PolarHBondContact O-N 2.82Å
383	W	98.7	Very high	97.4	Very high	6 Å²	6	40 Å²	40	2%	0.023	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	152.3	169.3	75.2	-78.7	0	0	0	110.9	I357 N358 S359 P385 L422 V427 P446 S449 I452	I357-W383 PolarHBondContact O-N 3.45Å; N358-W383 CarbonylContact C-O 3.56Å; N358-W383 WeakPolarHBondContact CA-O 3.27Å; N358-W383 HydrophobicContact CB-CZ2 4Å; S359-W383 PolarHBondContact N-O 2.78Å; W383-P385 HydrophobicContact CH2-CG 4.46Å; W383-P385 HydrophobicContact CZ3-CG 3.98Å; W383-L422 HydrophobicContact CB-CB 4.04Å; W383-L422 HydrophobicContact CB-CD1 3.94Å; W383-L422 HydrophobicContact CB-CG 4.24Å; W383-V427 HydrophobicContact CE3-CG1 4.46Å; W383-P446 HydrophobicContact CH2-CG 4.18Å; W383-P446 HydrophobicContact CZ3-CB 3.94Å; W383-P446 HydrophobicContact CZ3-CG 3.79Å; W383-S449 VanDerWaalsContact CE2-OG 3.31Å; W383-S449 VanDerWaalsContact CZ2-OG 3.25Å; W383-S449 WeakPolarHBondContact CZ2-OG 3.47Å; W383-S449 PolarHBondContact NE1-OG 3.03Å; W383-I452 HydrophobicContact CD2-CD1 3.85Å; W383-I452 HydrophobicContact CE3-CD1 4Å; W383-I452 HydrophobicContact CG-CD1 4.31Å; W383-I452 HydrophobicContact CZ2-CD1 4.43Å; W383-I452 HydrophobicContact CZ3-CD1 4.33Å
384	D	98.4	Very high	97.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	21%	0.212	C	C	.	.			trans	-139.1	141.3	-179.7	-175.4	63.1	0	0	0	109.8	S359 A386 W395 P399 D400 Y401 L403	S359-D384 WeakPolarHBondContact CB-OD1 3.33Å; S359-D384 PolarHBondContact OG-OD1 2.96Å; D384-A386 PolarHBondContact O-N 2.91Å; D384-W395 HydrophobicContact CB-CZ2 4.08Å; D384-W395 PolarHBondContact OD2-NE1 3.26Å; D384-P399 WeakPolarHBondContact OD2-CB 3.35Å; D384-D400 WeakPolarHBondContact OD1-CB 3.33Å; D384-D400 PolarHBondContact OD1-N 3.49Å; D384-D400 PolarHBondContact OD2-N 3.39Å; D384-Y401 PolarHBondContact OD1-N 3.28Å; D384-L403 HydrophobicContact CB-CD1 3.82Å; D384-L403 HydrophobicContact CB-CD2 4.03Å
385	P	96.7	Very high	97.5	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.084	20%	0.202	C	C	.	.			trans	-62.8	121.5	169.3	-22.1	34.1	0	0	0	111.7	H242 W383 D400 P446	H242-P385 VanDerWaalsContact CE1-CB 3.44Å; H242-P385 WeakPolarHBondContact CE1-CB 3.48Å; W383-P385 HydrophobicContact CH2-CG 4.46Å; W383-P385 HydrophobicContact CZ3-CG 3.98Å; P385-D400 HydrophobicContact CB-CB 4.26Å; P385-D400 HydrophobicContact CG-CB 4.24Å; P385-P446 HydrophobicContact CB-CG 3.96Å; P385-P446 HydrophobicContact CG-CG 3.96Å
386	A	97	Very high	97.5	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	22%	0.215	C	C	.	.			trans	-112.4	165.8	171.3	0	0	0	0	0	110.9	D384 W395 P424 W428	D384-A386 PolarHBondContact O-N 2.91Å; A386-W395 HydrophobicContact CB-CB 4.04Å; A386-W395 HydrophobicContact CB-CD2 4.17Å; A386-W395 HydrophobicContact CB-CG 3.63Å; A386-P424 HydrophobicContact CB-CB 3.45Å; A386-P424 VanDerWaalsContact CB-CB 3.45Å; A386-P424 HydrophobicContact CB-CG 3.63Å; A386-W428 VanDerWaalsContact O-CZ2 3.26Å; A386-W428 WeakPolarHBondContact O-CZ2 3.43Å; A386-W428 PolarHBondContact O-NE1 3.14Å
387	P	97.3	Very high	97.6	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.143	23%	0.23	C	C	.	.			trans	-52.5	144.4	170.7	-24.9	34.5	0	0	0	112.4	T389 V390 K394 W428	P387-T389 PolarHBondContact O-N 3.14Å; P387-T389 VanDerWaalsContact O-N 3.13Å; P387-V390 PolarHBondContact O-N 3.19Å; P387-K394 HydrophobicContact CG-CD 4.1Å; P387-K394 HydrophobicContact CG-CG 4.44Å; P387-W428 PolarHBondContact O-NE1 3.17Å
388	Y	98.1	Very high	97.8	Very high	39 Å²	39	39.2 Å²	39.2	15%	0.153	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.1	-179.5	-178.4	-109.4	0	0	0	113.5	H242 V244 F245 V390 W428 W431 D432	H242-Y388 WeakPolarHBondContact O-CB 3.36Å; H242-Y388 PolarHBondContact O-N 3.46Å; H242-Y388 VanDerWaalsContact O-N 3.07Å; V244-Y388 HydrophobicContact CB-CD2 4.43Å; V244-Y388 HydrophobicContact CB-CG 4.26Å; V244-Y388 HydrophobicContact CG1-CD1 4.42Å; V244-Y388 HydrophobicContact CG1-CD2 4Å; V244-Y388 HydrophobicContact CG1-CE2 4.1Å; V244-Y388 HydrophobicContact CG1-CG 4.17Å; V244-Y388 HydrophobicContact CG2-CD2 4.16Å; V244-Y388 HydrophobicContact CG2-CG 4.17Å; F245-Y388 VanDerWaalsContact O-CE1 3.28Å; F245-Y388 WeakPolarHBondContact O-CE1 3.29Å; Y388-V390 PolarHBondContact O-N 3.03Å; Y388-W428 HydrophobicContact CD2-CB 4.17Å; Y388-W428 AromaticContact CD2-CD2 3.65Å; Y388-W428 HydrophobicContact CD2-CD2 3.65Å; Y388-W428 AromaticContact CD2-CE3 3.62Å; Y388-W428 HydrophobicContact CD2-CE3 3.62Å; Y388-W428 AromaticContact CD2-CG 3.9Å; Y388-W428 HydrophobicContact CD2-CG 3.9Å; Y388-W428 HydrophobicContact CD2-CZ3 4.24Å; Y388-W428 HydrophobicContact CE2-CB 4.3Å; Y388-W428 HydrophobicContact CE2-CD2 4.43Å; Y388-W428 HydrophobicContact CE2-CE3 4.19Å; Y388-W428 HydrophobicContact CE2-CG 4.5Å; Y388-W431 HydrophobicContact CE2-CE3 4.34Å; Y388-D432 PolarHBondContact OH-OD1 3.13Å; Y388-D432 VanDerWaalsContact OH-OD1 3.05Å
389	T	97.1	Very high	97.8	Very high	108 Å²	108	39.6 Å²	39.6	66%	0.663	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.2	175.7	56.8	0	0	0	0	114	P387 D391	P387-T389 PolarHBondContact O-N 3.14Å; P387-T389 VanDerWaalsContact O-N 3.13Å; T389-D391 VanDerWaalsContact C-N 3.3Å; T389-D391 PolarHBondContact O-N 2.81Å
390	V	97.1	Very high	97.7	Very high	40 Å²	40	41.1 Å²	41.1	24%	0.242	23%	0.23	C	C	.	.			trans	57.5	42.2	-178.1	-163.8	0	0	0	0	112.1	P387 Y388 L392 P424	P387-V390 PolarHBondContact O-N 3.19Å; Y388-V390 PolarHBondContact O-N 3.03Å; V390-L392 HydrophobicContact CG1-CD2 4.02Å; V390-L392 PolarHBondContact O-N 3.14Å; V390-L392 VanDerWaalsContact O-N 3.09Å; V390-P424 HydrophobicContact CG1-CB 4.28Å
391	D	97.6	Very high	97.6	Very high	71 Å²	71	44.3 Å²	44.3	38%	0.38	24%	0.243	S	C	.	.			trans	-74.8	98.1	171.7	-175.4	-24.6	0	0	0	109.4	T389 Q393 K394 W395	T389-D391 VanDerWaalsContact C-N 3.3Å; T389-D391 PolarHBondContact O-N 2.81Å; D391-Q393 VanDerWaalsContact C-N 3.32Å; D391-Q393 PolarHBondContact O-N 2.93Å; D391-Q393 PolarHBondContact OD1-N 3.2Å; D391-Q393 VanDerWaalsContact OD1-N 3.16Å; D391-K394 HydrophobicContact CB-CB 3.93Å; D391-K394 VanDerWaalsContact CG-CB 3.44Å; D391-K394 PolarHBondContact O-N 3.22Å; D391-K394 PolarHBondContact OD1-N 3.49Å; D391-W395 WeakPolarHBondContact O-CB 3.41Å; D391-W395 PolarHBondContact O-N 3.09Å
392	L	98.1	Very high	97.5	Very high	17 Å²	17	48.7 Å²	48.7	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-31.3	-177	-60.1	-176	0	0	0	112.7	E276 F279 V390 W395 Y396 P424	E276-L392 HydrophobicContact CB-CD1 4.22Å; F279-L392 HydrophobicContact CE2-CB 4.47Å; F279-L392 HydrophobicContact CE2-CD1 4.46Å; V390-L392 HydrophobicContact CG1-CD2 4.02Å; V390-L392 PolarHBondContact O-N 3.14Å; V390-L392 VanDerWaalsContact O-N 3.09Å; L392-W395 HydrophobicContact CD2-CE3 3.96Å; L392-W395 HydrophobicContact CD2-CZ3 4.37Å; L392-Y396 WeakPolarHBondContact O-CB 3.32Å; L392-Y396 PolarHBondContact O-N 2.88Å; L392-P424 HydrophobicContact CD2-CG 4.17Å
393	Q	97.6	Very high	97.4	Very high	114 Å²	114	48.7 Å²	48.7	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-48.6	176.3	-173.7	70.1	39.3	0	0	110.1	D391 W395 Y396 A397	D391-Q393 VanDerWaalsContact C-N 3.32Å; D391-Q393 PolarHBondContact O-N 2.93Å; D391-Q393 PolarHBondContact OD1-N 3.2Å; D391-Q393 VanDerWaalsContact OD1-N 3.16Å; Q393-W395 VanDerWaalsContact C-N 3.34Å; Q393-Y396 PolarHBondContact O-N 3.01Å; Q393-A397 VanDerWaalsContact O-CB 3.32Å; Q393-A397 WeakPolarHBondContact O-CB 3.49Å; Q393-A397 PolarHBondContact O-N 3.25Å
394	K	97.5	Very high	97.3	Very high	111 Å²	111	48.8 Å²	48.8	48%	0.483	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-41.4	177.2	-177.4	174.1	177.5	180	0	111.4	P387 D391 A397 S398	P387-K394 HydrophobicContact CG-CD 4.1Å; P387-K394 HydrophobicContact CG-CG 4.44Å; D391-K394 HydrophobicContact CB-CB 3.93Å; D391-K394 VanDerWaalsContact CG-CB 3.44Å; D391-K394 PolarHBondContact O-N 3.22Å; D391-K394 PolarHBondContact OD1-N 3.49Å; K394-A397 PolarHBondContact O-N 3.35Å; K394-S398 PolarHBondContact O-N 3.34Å
395	W	98.1	Very high	97.3	Very high	1 Å²	1	50 Å²	50	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-45.4	177.5	177	48.5	0	0	0	112.2	V272 F279 D384 A386 D391 L392 Q393 A397 S398 P399 L403 F404 I421 P424	V272-W395 HydrophobicContact CG2-CH2 3.97Å; V272-W395 HydrophobicContact CG2-CZ3 3.87Å; F279-W395 HydrophobicContact CE2-CE3 4.33Å; F279-W395 AromaticContact CE2-CZ3 3.99Å; F279-W395 HydrophobicContact CE2-CZ3 3.99Å; F279-W395 AromaticContact CZ-CE3 3.95Å; F279-W395 HydrophobicContact CZ-CE3 3.95Å; F279-W395 HydrophobicContact CZ-CH2 4.47Å; F279-W395 AromaticContact CZ-CZ3 3.58Å; F279-W395 HydrophobicContact CZ-CZ3 3.58Å; D384-W395 HydrophobicContact CB-CZ2 4.08Å; D384-W395 PolarHBondContact OD2-NE1 3.26Å; A386-W395 HydrophobicContact CB-CB 4.04Å; A386-W395 HydrophobicContact CB-CD2 4.17Å; A386-W395 HydrophobicContact CB-CG 3.63Å; D391-W395 WeakPolarHBondContact O-CB 3.41Å; D391-W395 PolarHBondContact O-N 3.09Å; L392-W395 HydrophobicContact CD2-CE3 3.96Å; L392-W395 HydrophobicContact CD2-CZ3 4.37Å; Q393-W395 VanDerWaalsContact C-N 3.34Å; W395-A397 VanDerWaalsContact C-N 3.35Å; W395-A397 PolarHBondContact O-N 3.39Å; W395-S398 CarbonylContact O-C 3.59Å; W395-S398 PolarHBondContact O-N 3.05Å; W395-P399 WeakPolarHBondContact O-CA 3.34Å; W395-P399 WeakPolarHBondContact O-CD 3.47Å; W395-L403 HydrophobicContact CZ2-CD1 4.27Å; W395-F404 AromaticContact CD2-CZ 3.89Å; W395-F404 HydrophobicContact CD2-CZ 3.89Å; W395-F404 AromaticContact CE2-CZ 3.72Å; W395-F404 AromaticContact CE3-CZ 3.97Å; W395-F404 HydrophobicContact CE3-CZ 3.97Å; W395-F404 AromaticContact CH2-CE1 3.96Å; W395-F404 HydrophobicContact CH2-CE1 3.96Å; W395-F404 AromaticContact CH2-CZ 3.8Å; W395-F404 HydrophobicContact CH2-CZ 3.8Å; W395-F404 HydrophobicContact CZ2-CE1 4.15Å; W395-F404 AromaticContact CZ2-CZ 3.68Å; W395-F404 HydrophobicContact CZ2-CZ 3.68Å; W395-F404 HydrophobicContact CZ3-CE1 4.24Å; W395-F404 AromaticContact CZ3-CZ 3.94Å; W395-F404 HydrophobicContact CZ3-CZ 3.94Å; W395-I421 HydrophobicContact CH2-CG2 3.77Å; W395-I421 HydrophobicContact CZ2-CG2 4.24Å; W395-P424 HydrophobicContact CD2-CG 3.68Å; W395-P424 HydrophobicContact CE3-CG 3.53Å; W395-P424 HydrophobicContact CG-CG 4.39Å; W395-P424 HydrophobicContact CH2-CG 3.88Å; W395-P424 HydrophobicContact CZ2-CG 4.04Å; W395-P424 HydrophobicContact CZ3-CG 3.63Å
396	Y	98.1	Very high	97.3	Very high	68 Å²	68	50.4 Å²	50.4	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-42.1	176.1	-175.9	-98.8	0	0	0	112.4	P278 F279 L282 W284 L392 Q393 F404	P278-Y396 HydrophobicContact CG-CD1 4.27Å; P278-Y396 HydrophobicContact CG-CG 3.92Å; F279-Y396 HydrophobicContact CD1-CD2 4.32Å; F279-Y396 AromaticContact CE1-CD2 3.65Å; F279-Y396 HydrophobicContact CE1-CD2 3.65Å; F279-Y396 HydrophobicContact CE1-CE2 4.21Å; F279-Y396 HydrophobicContact CZ-CD2 4.26Å; L282-Y396 HydrophobicContact CD1-CD1 3.87Å; L282-Y396 HydrophobicContact CD1-CD2 4.46Å; L282-Y396 HydrophobicContact CD1-CE1 3.35Å; L282-Y396 HydrophobicContact CD1-CE2 4.01Å; L282-Y396 HydrophobicContact CD1-CG 4.39Å; L282-Y396 VanDerWaalsContact CD1-CZ 3.43Å; W284-Y396 HydrophobicContact CZ2-CE2 4.09Å; W284-Y396 AromaticContact NE1-CE2 3.99Å; L392-Y396 WeakPolarHBondContact O-CB 3.32Å; L392-Y396 PolarHBondContact O-N 2.88Å; Q393-Y396 PolarHBondContact O-N 3.01Å; Y396-F404 HydrophobicContact CD2-CD1 4.13Å; Y396-F404 AromaticContact CD2-CD2 3.75Å; Y396-F404 HydrophobicContact CD2-CD2 3.75Å; Y396-F404 HydrophobicContact CD2-CE1 4.18Å; Y396-F404 AromaticContact CD2-CE2 3.84Å; Y396-F404 HydrophobicContact CD2-CE2 3.84Å; Y396-F404 AromaticContact CD2-CG 3.92Å; Y396-F404 HydrophobicContact CD2-CG 3.92Å; Y396-F404 HydrophobicContact CD2-CZ 4.02Å; Y396-F404 HydrophobicContact CE2-CB 4.12Å; Y396-F404 HydrophobicContact CE2-CD1 4.24Å; Y396-F404 HydrophobicContact CE2-CD2 4.06Å; Y396-F404 AromaticContact CE2-CG 3.88Å; Y396-F404 HydrophobicContact CE2-CG 3.88Å; Y396-F404 HydrophobicContact CG-CE2 4.44Å
397	A	97.8	Very high	97.4	Very high	78 Å²	78	50.4 Å²	50.4	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-71.4	-30.6	-179.2	0	0	0	0	0	113.5	Q393 K394 W395	Q393-A397 VanDerWaalsContact O-CB 3.32Å; Q393-A397 WeakPolarHBondContact O-CB 3.49Å; Q393-A397 PolarHBondContact O-N 3.25Å; K394-A397 PolarHBondContact O-N 3.35Å; W395-A397 VanDerWaalsContact C-N 3.35Å; W395-A397 PolarHBondContact O-N 3.39Å
398	S	97.2	Very high	97.4	Very high	93 Å²	93	50.7 Å²	50.7	65%	0.65	28%	0.282	S	S	*	.	S	Bend	trans	-148.2	73.1	-176.4	-165	0	0	0	0	110.8	K394 W395	K394-S398 PolarHBondContact O-N 3.34Å; W395-S398 CarbonylContact O-C 3.59Å; W395-S398 PolarHBondContact O-N 3.05Å
399	P	97.4	Very high	97.3	Very high	29 Å²	29	53.3 Å²	53.3	19%	0.188	30%	0.299	C	S	.	.			trans	-70.1	163.5	174.6	31.2	-35.7	0	0	0	110.8	D384 W395 Y401 L403 F404	D384-P399 WeakPolarHBondContact OD2-CB 3.35Å; W395-P399 WeakPolarHBondContact O-CA 3.34Å; W395-P399 WeakPolarHBondContact O-CD 3.47Å; P399-Y401 WeakPolarHBondContact CB-O 3.47Å; P399-Y401 WeakPolarHBondContact CG-O 3.43Å; P399-Y401 PolarHBondContact O-N 2.68Å; P399-L403 HydrophobicContact CB-CD2 3.57Å; P399-L403 HydrophobicContact CG-CD2 4.09Å; P399-F404 HydrophobicContact CB-CD2 4.47Å; P399-F404 HydrophobicContact CB-CE2 3.97Å; P399-F404 HydrophobicContact CG-CD2 4.16Å; P399-F404 HydrophobicContact CG-CE2 4.1Å
400	D	95.6	Very high	97.3	Very high	49 Å²	49	48.3 Å²	48.3	26%	0.262	27%	0.268	S	S	.	.	S	Bend	trans	-63.7	-37	179	-157.2	28.5	0	0	0	111.2	K241 D384 P385	K241-D400 IonicContact NZ-OD1 2.58Å; K241-D400 PolarHBondContact NZ-OD1 2.9Å; K241-D400 IonicContact NZ-OD2 3.39Å; K241-D400 PolarHBondContact NZ-OD2 3.27Å; D384-D400 WeakPolarHBondContact OD1-CB 3.33Å; D384-D400 PolarHBondContact OD1-N 3.49Å; D384-D400 PolarHBondContact OD2-N 3.39Å; P385-D400 HydrophobicContact CB-CB 4.26Å; P385-D400 HydrophobicContact CG-CB 4.24Å
401	Y	97.1	Very high	97.3	Very high	66 Å²	66	47.6 Å²	47.6	26%	0.259	26%	0.261	S	S	.	.	S	Bend	trans	-138.5	152.8	167.7	-66.1	-94.1	0	0	0	110.6	Q360 A363 D384 P399 L403	Q360-Y401 HydrophobicContact CG-CD1 3.92Å; Q360-Y401 HydrophobicContact CG-CD2 3.4Å; Q360-Y401 HydrophobicContact CG-CE1 3.78Å; Q360-Y401 HydrophobicContact CG-CE2 3.28Å; Q360-Y401 HydrophobicContact CG-CG 3.74Å; Q360-Y401 VanDerWaalsContact CG-CZ 3.47Å; A363-Y401 HydrophobicContact CB-CD1 4.19Å; A363-Y401 HydrophobicContact CB-CG 4.43Å; D384-Y401 PolarHBondContact OD1-N 3.28Å; P399-Y401 WeakPolarHBondContact CB-O 3.47Å; P399-Y401 WeakPolarHBondContact CG-O 3.43Å; P399-Y401 PolarHBondContact O-N 2.68Å; Y401-L403 WeakPolarHBondContact O-CD2 3.29Å; Y401-L403 PolarHBondContact O-N 2.8Å
402	N	95.6	Very high	97.3	Very high	93 Å²	93	50.4 Å²	50.4	50%	0.497	27%	0.27	S	S	.	.			trans	-65.9	91.8	179.5	-179.1	17.8	0	0	0	111.9	G405	N402-G405 PolarHBondContact OD1-N 2.9Å
403	L	97.1	Very high	97.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.			trans	-94.8	-31.5	174.1	76	164.1	0	0	0	113.7	L362 D384 W395 P399 Y401 Y407 I421	L362-L403 HydrophobicContact CD1-CB 3.7Å; D384-L403 HydrophobicContact CB-CD1 3.82Å; D384-L403 HydrophobicContact CB-CD2 4.03Å; W395-L403 HydrophobicContact CZ2-CD1 4.27Å; P399-L403 HydrophobicContact CB-CD2 3.57Å; P399-L403 HydrophobicContact CG-CD2 4.09Å; Y401-L403 WeakPolarHBondContact O-CD2 3.29Å; Y401-L403 PolarHBondContact O-N 2.8Å; L403-Y407 WeakPolarHBondContact O-CB 3.37Å; L403-Y407 PolarHBondContact O-N 2.74Å; L403-I421 HydrophobicContact CD1-CD1 4.18Å; L403-I421 HydrophobicContact CD1-CG2 3.95Å
404	F	98.1	Very high	97.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-71.6	-42.4	-166.7	-62.5	-61.3	0	0	0	113	F279 W284 W395 Y396 P399 Y407 I408 I421	F279-F404 HydrophobicContact CE1-CD1 4.22Å; F279-F404 AromaticContact CE1-CE1 3.67Å; F279-F404 HydrophobicContact CE1-CE1 3.67Å; F279-F404 HydrophobicContact CE1-CZ 4.22Å; F279-F404 AromaticContact CZ-CE1 3.88Å; F279-F404 HydrophobicContact CZ-CE1 3.88Å; F279-F404 HydrophobicContact CZ-CZ 4.1Å; W284-F404 HydrophobicContact CH2-CB 4.47Å; W284-F404 AromaticContact CH2-CD1 3.47Å; W284-F404 HydrophobicContact CH2-CD1 3.47Å; W284-F404 VanDerWaalsContact CH2-CD1 3.47Å; W284-F404 HydrophobicContact CH2-CE1 4.17Å; W284-F404 HydrophobicContact CH2-CG 4.4Å; W284-F404 HydrophobicContact CZ2-CB 4.11Å; W284-F404 AromaticContact CZ2-CD1 3.61Å; W284-F404 HydrophobicContact CZ2-CD1 3.61Å; W284-F404 HydrophobicContact CZ2-CE1 4.43Å; W284-F404 HydrophobicContact CZ2-CG 4.21Å; W395-F404 AromaticContact CD2-CZ 3.89Å; W395-F404 HydrophobicContact CD2-CZ 3.89Å; W395-F404 AromaticContact CE2-CZ 3.72Å; W395-F404 AromaticContact CE3-CZ 3.97Å; W395-F404 HydrophobicContact CE3-CZ 3.97Å; W395-F404 AromaticContact CH2-CE1 3.96Å; W395-F404 HydrophobicContact CH2-CE1 3.96Å; W395-F404 AromaticContact CH2-CZ 3.8Å; W395-F404 HydrophobicContact CH2-CZ 3.8Å; W395-F404 HydrophobicContact CZ2-CE1 4.15Å; W395-F404 AromaticContact CZ2-CZ 3.68Å; W395-F404 HydrophobicContact CZ2-CZ 3.68Å; W395-F404 HydrophobicContact CZ3-CE1 4.24Å; W395-F404 AromaticContact CZ3-CZ 3.94Å; W395-F404 HydrophobicContact CZ3-CZ 3.94Å; Y396-F404 HydrophobicContact CD2-CD1 4.13Å; Y396-F404 AromaticContact CD2-CD2 3.75Å; Y396-F404 HydrophobicContact CD2-CD2 3.75Å; Y396-F404 HydrophobicContact CD2-CE1 4.18Å; Y396-F404 AromaticContact CD2-CE2 3.84Å; Y396-F404 HydrophobicContact CD2-CE2 3.84Å; Y396-F404 AromaticContact CD2-CG 3.92Å; Y396-F404 HydrophobicContact CD2-CG 3.92Å; Y396-F404 HydrophobicContact CD2-CZ 4.02Å; Y396-F404 HydrophobicContact CE2-CB 4.12Å; Y396-F404 HydrophobicContact CE2-CD1 4.24Å; Y396-F404 HydrophobicContact CE2-CD2 4.06Å; Y396-F404 AromaticContact CE2-CG 3.88Å; Y396-F404 HydrophobicContact CE2-CG 3.88Å; Y396-F404 HydrophobicContact CG-CE2 4.44Å; P399-F404 HydrophobicContact CB-CD2 4.47Å; P399-F404 HydrophobicContact CB-CE2 3.97Å; P399-F404 HydrophobicContact CG-CD2 4.16Å; P399-F404 HydrophobicContact CG-CE2 4.1Å; F404-Y407 PolarHBondContact O-N 3.46Å; F404-I408 WeakPolarHBondContact O-CG1 3.29Å; F404-I408 PolarHBondContact O-N 2.84Å; F404-I421 HydrophobicContact CD1-CD1 4.08Å; F404-I421 HydrophobicContact CE1-CD1 4.2Å
405	G	97.1	Very high	97	Very high	28 Å²	28	48.8 Å²	48.8	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-58.8	175.8	0	0	0	0	0	112	N402 Y407 I408 D409	N402-G405 PolarHBondContact OD1-N 2.9Å; G405-Y407 PolarHBondContact O-N 3.16Å; G405-I408 PolarHBondContact O-N 2.97Å; G405-I408 VanDerWaalsContact O-N 3.11Å; G405-D409 PolarHBondContact O-N 2.83Å
406	P	97.1	Very high	96.8	Very high	22 Å²	22	56.2 Å²	56.2	14%	0.143	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-35.3	176.7	-27.4	35.8	0	0	0	113.8	L362 H410	L362-P406 HydrophobicContact CB-CB 4.12Å; L362-P406 HydrophobicContact CB-CG 4.43Å; L362-P406 HydrophobicContact CD2-CB 4.17Å; P406-H410 WeakPolarHBondContact O-CB 3.39Å; P406-H410 PolarHBondContact O-N 3.07Å
407	Y	98.3	Very high	96.7	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-51.3	174.2	175.8	-93.6	0	0	0	112	W284 F287 L403 F404 G405 D409 H410 R411 F419 I421	W284-Y407 HydrophobicContact CE3-CE1 4.3Å; W284-Y407 AromaticContact CH2-CD1 3.56Å; W284-Y407 HydrophobicContact CH2-CD1 3.56Å; W284-Y407 AromaticContact CH2-CE1 3.89Å; W284-Y407 HydrophobicContact CH2-CE1 3.89Å; W284-Y407 HydrophobicContact CH2-CG 4.41Å; W284-Y407 AromaticContact CZ3-CD1 3.72Å; W284-Y407 HydrophobicContact CZ3-CD1 3.72Å; W284-Y407 AromaticContact CZ3-CE1 3.52Å; W284-Y407 HydrophobicContact CZ3-CE1 3.52Å; F287-Y407 HydrophobicContact CB-CE1 4.31Å; L403-Y407 WeakPolarHBondContact O-CB 3.37Å; L403-Y407 PolarHBondContact O-N 2.74Å; F404-Y407 PolarHBondContact O-N 3.46Å; G405-Y407 PolarHBondContact O-N 3.16Å; Y407-D409 VanDerWaalsContact C-N 3.34Å; Y407-D409 PolarHBondContact O-N 3.25Å; Y407-H410 PolarHBondContact O-N 2.9Å; Y407-R411 HydrophobicContact CD1-CG 4.18Å; Y407-R411 HydrophobicContact CD2-CG 4.46Å; Y407-R411 HydrophobicContact CE1-CG 3.75Å; Y407-R411 HydrophobicContact CE2-CG 4.05Å; Y407-R411 WeakPolarHBondContact O-CG 3.4Å; Y407-R411 PolarHBondContact O-N 3.38Å; Y407-F419 AromaticContact CD2-CD1 3.63Å; Y407-F419 HydrophobicContact CD2-CD1 3.63Å; Y407-F419 HydrophobicContact CD2-CD2 4.12Å; Y407-F419 AromaticContact CD2-CE1 3.51Å; Y407-F419 HydrophobicContact CD2-CE1 3.51Å; Y407-F419 HydrophobicContact CD2-CE2 4.01Å; Y407-F419 AromaticContact CD2-CG 3.95Å; Y407-F419 HydrophobicContact CD2-CG 3.95Å; Y407-F419 AromaticContact CD2-CZ 3.71Å; Y407-F419 HydrophobicContact CD2-CZ 3.71Å; Y407-F419 HydrophobicContact CE2-CB 4.25Å; Y407-F419 AromaticContact CE2-CD1 3.8Å; Y407-F419 HydrophobicContact CE2-CD1 3.8Å; Y407-F419 AromaticContact CE2-CD2 3.93Å; Y407-F419 HydrophobicContact CE2-CD2 3.93Å; Y407-F419 HydrophobicContact CE2-CE1 4.14Å; Y407-F419 HydrophobicContact CE2-CE2 4.26Å; Y407-F419 AromaticContact CE2-CG 3.7Å; Y407-F419 HydrophobicContact CE2-CG 3.7Å; Y407-F419 HydrophobicContact CE2-CZ 4.35Å; Y407-F419 VanDerWaalsContact CE2-O 3.26Å; Y407-F419 WeakPolarHBondContact CE2-O 3.12Å; Y407-F419 HydrophobicContact CG-CE1 4.39Å; Y407-F419 PolarHBondContact OH-O 2.62Å; Y407-I421 HydrophobicContact CD1-CD1 3.97Å; Y407-I421 HydrophobicContact CD2-CD1 3.74Å; Y407-I421 HydrophobicContact CD2-CG1 3.67Å; Y407-I421 HydrophobicContact CE1-CD1 4.27Å; Y407-I421 HydrophobicContact CE2-CD1 4.07Å; Y407-I421 HydrophobicContact CE2-CG1 3.7Å; Y407-I421 HydrophobicContact CG-CD1 3.7Å; Y407-I421 HydrophobicContact CG-CG1 4.18Å
408	I	97.6	Very high	96.7	Very high	28 Å²	28	52.1 Å²	52.1	14%	0.144	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-45.4	179.9	-71.3	168.7	0	0	0	110.4	W284 F287 F404 G405 H410 R411 K412	W284-I408 HydrophobicContact CZ2-CD1 4.02Å; W284-I408 HydrophobicContact CZ2-CG1 4.21Å; F287-I408 HydrophobicContact CD1-CG2 4.12Å; F287-I408 HydrophobicContact CD2-CG1 4.19Å; F287-I408 HydrophobicContact CE1-CG2 3.88Å; F287-I408 HydrophobicContact CE2-CG2 4.27Å; F287-I408 HydrophobicContact CG-CG1 4.32Å; F287-I408 HydrophobicContact CG-CG2 4.44Å; F287-I408 HydrophobicContact CZ-CG2 3.96Å; F404-I408 WeakPolarHBondContact O-CG1 3.29Å; F404-I408 PolarHBondContact O-N 2.84Å; G405-I408 PolarHBondContact O-N 2.97Å; G405-I408 VanDerWaalsContact O-N 3.11Å; I408-H410 VanDerWaalsContact C-N 3.33Å; I408-H410 PolarHBondContact O-N 3.09Å; I408-R411 PolarHBondContact O-N 3.22Å; I408-K412 HydrophobicContact CG2-CD 4.12Å; I408-K412 WeakPolarHBondContact O-CG 3.44Å; I408-K412 PolarHBondContact O-N 2.75Å
409	D	96.8	Very high	96.7	Very high	94 Å²	94	47.7 Å²	47.7	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-42.7	179.2	-68.8	-20.8	0	0	0	111.5	G405 Y407 K412 A413	G405-D409 PolarHBondContact O-N 2.83Å; Y407-D409 VanDerWaalsContact C-N 3.34Å; Y407-D409 PolarHBondContact O-N 3.25Å; D409-K412 PolarHBondContact O-N 3.1Å; D409-A413 WeakPolarHBondContact O-CB 3.47Å; D409-A413 PolarHBondContact O-N 3.48Å; D409-A413 VanDerWaalsContact O-N 3.07Å
410	H	97.1	Very high	96.8	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-43.6	175.9	-170.4	91.4	0	0	0	112.4	F369 P406 Y407 I408 K412 A413 H414 Q417 F419	F369-H410 HydrophobicContact CE1-CB 4Å; F369-H410 AromaticContact CE1-CG 3.88Å; F369-H410 AromaticContact CE1-ND1 3.51Å; F369-H410 AromaticContact CZ-ND1 3.78Å; P406-H410 WeakPolarHBondContact O-CB 3.39Å; P406-H410 PolarHBondContact O-N 3.07Å; Y407-H410 PolarHBondContact O-N 2.9Å; I408-H410 VanDerWaalsContact C-N 3.33Å; I408-H410 PolarHBondContact O-N 3.09Å; H410-K412 VanDerWaalsContact C-N 3.32Å; H410-K412 PolarHBondContact O-N 2.81Å; H410-A413 PolarHBondContact O-N 3.45Å; H410-H414 AromaticContact CD2-ND1 3.96Å; H410-H414 AromaticContact CE1-CE1 3.97Å; H410-H414 AromaticContact CE1-ND1 3.38Å; H410-H414 PolarHBondContact CE1-ND1 3.23Å; H410-H414 AromaticContact CG-ND1 3.95Å; H410-H414 AromaticContact ND1-ND1 3.58Å; H410-H414 AromaticContact NE2-CG 3.95Å; H410-H414 AromaticContact NE2-ND1 3.61Å; H410-H414 PolarHBondContact O-N 2.73Å; H410-H414 PolarHBondContact O-ND1 3.17Å; H410-Q417 PolarHBondContact NE2-OE1 3.03Å; H410-F419 HydrophobicContact CB-CD1 4.25Å; H410-F419 HydrophobicContact CB-CE1 4.19Å; H410-F419 AromaticContact CD2-CD1 3.61Å
411	R	97.1	Very high	96.9	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-34.2	179.5	-71.8	-60.7	-56.3	130	5.8	112.5	F287 Y407 I408 H414 P415 Q417	F287-R411 HydrophobicContact CB-CB 4.36Å; F287-R411 WeakPolarHBondContact O-CG 3.49Å; F287-R411 PolarHBondContact O-NE 3.47Å; Y407-R411 HydrophobicContact CD1-CG 4.18Å; Y407-R411 HydrophobicContact CD2-CG 4.46Å; Y407-R411 HydrophobicContact CE1-CG 3.75Å; Y407-R411 HydrophobicContact CE2-CG 4.05Å; Y407-R411 WeakPolarHBondContact O-CG 3.4Å; Y407-R411 PolarHBondContact O-N 3.38Å; I408-R411 PolarHBondContact O-N 3.22Å; R411-H414 PolarHBondContact NH1-O 3.25Å; R411-P415 VanDerWaalsContact CZ-O 3.31Å; R411-P415 VanDerWaalsContact NH1-C 3.3Å; R411-P415 PolarHBondContact NH1-O 3.06Å; R411-P415 PolarHBondContact NH2-O 3.29Å; R411-P415 WeakPolarHBondContact O-CA 3.46Å; R411-Q417 PolarHBondContact NH1-O 2.75Å
412	K	96.5	Very high	97	Very high	130 Å²	130	41.2 Å²	41.2	57%	0.565	23%	0.232	S	C	*	.	H	α-helix	trans	-66.1	-42.6	171.5	-73.2	172.8	179.8	171.5	0	111.9	F287 I408 D409 H410	F287-K412 HydrophobicContact CD1-CG 4.31Å; F287-K412 HydrophobicContact CE1-CD 4.25Å; F287-K412 VanDerWaalsContact CE1-CE 3.47Å; F287-K412 HydrophobicContact CE1-CG 3.81Å; I408-K412 HydrophobicContact CG2-CD 4.12Å; I408-K412 WeakPolarHBondContact O-CG 3.44Å; I408-K412 PolarHBondContact O-N 2.75Å; D409-K412 PolarHBondContact O-N 3.1Å; H410-K412 VanDerWaalsContact C-N 3.32Å; H410-K412 PolarHBondContact O-N 2.81Å
413	A	96.3	Very high	97.1	Very high	67 Å²	67	37 Å²	37	55%	0.554	21%	0.209	S	C	*	.	H	α-helix	trans	-75.4	-31.4	-178.8	0	0	0	0	0	113.4	D409 H410	D409-A413 WeakPolarHBondContact O-CB 3.47Å; D409-A413 PolarHBondContact O-N 3.48Å; D409-A413 VanDerWaalsContact O-N 3.07Å; H410-A413 PolarHBondContact O-N 3.45Å
414	H	96.3	Very high	97.2	Very high	66 Å²	66	37.1 Å²	37.1	31%	0.306	21%	0.21	S	C	.	.			trans	-132.3	62.9	-173.5	-52.2	100.6	0	0	0	111.6	H410 R411 D416 Q417	H410-H414 AromaticContact CD2-ND1 3.96Å; H410-H414 AromaticContact CE1-CE1 3.97Å; H410-H414 AromaticContact CE1-ND1 3.38Å; H410-H414 PolarHBondContact CE1-ND1 3.23Å; H410-H414 AromaticContact CG-ND1 3.95Å; H410-H414 AromaticContact ND1-ND1 3.58Å; H410-H414 AromaticContact NE2-CG 3.95Å; H410-H414 AromaticContact NE2-ND1 3.61Å; H410-H414 PolarHBondContact O-N 2.73Å; H410-H414 PolarHBondContact O-ND1 3.17Å; R411-H414 PolarHBondContact NH1-O 3.25Å; H414-D416 PolarHBondContact O-N 3.09Å; H414-D416 VanDerWaalsContact O-N 3.15Å; H414-Q417 HydrophobicContact CB-CB 4.06Å; H414-Q417 PolarHBondContact O-N 3.11Å; H414-Q417 VanDerWaalsContact O-N 3.09Å
415	P	95	Very high	97.2	Very high	76 Å²	76	37.7 Å²	37.7	49%	0.494	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.2	-172.7	24	-34.7	0	0	0	113.4	R411	R411-P415 VanDerWaalsContact CZ-O 3.31Å; R411-P415 VanDerWaalsContact NH1-C 3.3Å; R411-P415 PolarHBondContact NH1-O 3.06Å; R411-P415 PolarHBondContact NH2-O 3.29Å; R411-P415 WeakPolarHBondContact O-CA 3.46Å
416	D	94.4	Very high	97.2	Very high	156 Å²	156	36.4 Å²	36.4	83%	0.834	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-17.9	-179.4	-61.9	-41.9	0	0	0	114	H414 P418	H414-D416 PolarHBondContact O-N 3.09Å; H414-D416 VanDerWaalsContact O-N 3.15Å; D416-P418 WeakPolarHBondContact O-CD 3.48Å
417	Q	95.8	Very high	97.3	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.084	20%	0.195	C	C	.	.	S	Bend	trans	-79.7	119.4	-179.7	-177.1	179.5	-0.1	0	0	110.7	Y375 I378 H410 R411 H414 F419	Y375-Q417 PolarHBondContact O-NE2 2.78Å; I378-Q417 WeakPolarHBondContact O-CG 3.35Å; I378-Q417 PolarHBondContact O-NE2 2.93Å; H410-Q417 PolarHBondContact NE2-OE1 3.03Å; R411-Q417 PolarHBondContact NH1-O 2.75Å; H414-Q417 HydrophobicContact CB-CB 4.06Å; H414-Q417 PolarHBondContact O-N 3.11Å; H414-Q417 VanDerWaalsContact O-N 3.09Å; Q417-F419 PolarHBondContact O-N 2.79Å; Q417-F419 VanDerWaalsContact O-N 3.13Å
418	P	96.9	Very high	97.3	Very high	42 Å²	42	35.7 Å²	35.7	27%	0.273	20%	0.196	S	C	.	.			trans	-63	118.8	176.6	-20.6	33.4	0	0	0	110.9	L296 T379 L380 D416 Y420	L296-P418 HydrophobicContact CD2-CB 4.48Å; T379-P418 WeakPolarHBondContact CA-O 3.24Å; T379-P418 HydrophobicContact CG2-CB 4.3Å; L380-P418 PolarHBondContact N-O 3.41Å; D416-P418 WeakPolarHBondContact O-CD 3.48Å; P418-Y420 HydrophobicContact CB-CE2 3.72Å
419	F	98.1	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	111.9	176.8	-175.8	-168.1	0	0	0	110	P289 I357 L362 F369 L380 A382 Y407 H410 Q417	P289-F419 VanDerWaalsContact CD-O 3.32Å; P289-F419 WeakPolarHBondContact CD-O 3.43Å; P289-F419 VanDerWaalsContact CG-O 3.27Å; P289-F419 WeakPolarHBondContact CG-O 2.91Å; I357-F419 HydrophobicContact CD1-CE2 4.06Å; I357-F419 HydrophobicContact CD1-CZ 3.95Å; L362-F419 HydrophobicContact CD1-CZ 4.21Å; L362-F419 HydrophobicContact CD2-CE1 4.32Å; L362-F419 HydrophobicContact CD2-CZ 3.94Å; F369-F419 HydrophobicContact CE1-CE1 4.19Å; F369-F419 AromaticContact CZ-CE1 3.65Å; F369-F419 HydrophobicContact CZ-CE1 3.65Å; F369-F419 AromaticContact CZ-CZ 3.9Å; F369-F419 HydrophobicContact CZ-CZ 3.9Å; L380-F419 HydrophobicContact CB-CB 4.06Å; L380-F419 HydrophobicContact CB-CD2 3.28Å; L380-F419 HydrophobicContact CB-CE2 3.76Å; L380-F419 HydrophobicContact CB-CG 3.74Å; L380-F419 HydrophobicContact CD1-CD1 4.18Å; L380-F419 HydrophobicContact CD1-CD2 4.28Å; L380-F419 HydrophobicContact CD1-CE1 4.37Å; L380-F419 HydrophobicContact CD1-CE2 4.46Å; L380-F419 HydrophobicContact CD1-CG 4.12Å; L380-F419 HydrophobicContact CG-CD2 4.43Å; L380-F419 WeakPolarHBondContact O-CA 3.35Å; A382-F419 HydrophobicContact CB-CE2 3.61Å; A382-F419 HydrophobicContact CB-CZ 4.07Å; Y407-F419 AromaticContact CD2-CD1 3.63Å; Y407-F419 HydrophobicContact CD2-CD1 3.63Å; Y407-F419 HydrophobicContact CD2-CD2 4.12Å; Y407-F419 AromaticContact CD2-CE1 3.51Å; Y407-F419 HydrophobicContact CD2-CE1 3.51Å; Y407-F419 HydrophobicContact CD2-CE2 4.01Å; Y407-F419 AromaticContact CD2-CG 3.95Å; Y407-F419 HydrophobicContact CD2-CG 3.95Å; Y407-F419 AromaticContact CD2-CZ 3.71Å; Y407-F419 HydrophobicContact CD2-CZ 3.71Å; Y407-F419 HydrophobicContact CE2-CB 4.25Å; Y407-F419 AromaticContact CE2-CD1 3.8Å; Y407-F419 HydrophobicContact CE2-CD1 3.8Å; Y407-F419 AromaticContact CE2-CD2 3.93Å; Y407-F419 HydrophobicContact CE2-CD2 3.93Å; Y407-F419 HydrophobicContact CE2-CE1 4.14Å; Y407-F419 HydrophobicContact CE2-CE2 4.26Å; Y407-F419 AromaticContact CE2-CG 3.7Å; Y407-F419 HydrophobicContact CE2-CG 3.7Å; Y407-F419 HydrophobicContact CE2-CZ 4.35Å; Y407-F419 VanDerWaalsContact CE2-O 3.26Å; Y407-F419 WeakPolarHBondContact CE2-O 3.12Å; Y407-F419 HydrophobicContact CG-CE1 4.39Å; Y407-F419 PolarHBondContact OH-O 2.62Å; H410-F419 HydrophobicContact CB-CD1 4.25Å; H410-F419 HydrophobicContact CB-CE1 4.19Å; H410-F419 AromaticContact CD2-CD1 3.61Å; Q417-F419 PolarHBondContact O-N 2.79Å; Q417-F419 VanDerWaalsContact O-N 3.13Å
420	Y	98.7	Very high	97.4	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.024	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	154.8	-176	-58.3	-91.5	0	0	0	111.1	T271 P289 R291 L293 L296 T379 L380 V381 A382 P418	T271-Y420 HydrophobicContact CG2-CD1 4.08Å; T271-Y420 HydrophobicContact CG2-CG 4.33Å; P289-Y420 HydrophobicContact CB-CD1 4.24Å; P289-Y420 HydrophobicContact CB-CE1 3.57Å; P289-Y420 HydrophobicContact CG-CD1 3.8Å; P289-Y420 HydrophobicContact CG-CD2 4.4Å; P289-Y420 HydrophobicContact CG-CE1 3.61Å; P289-Y420 HydrophobicContact CG-CE2 4.24Å; P289-Y420 HydrophobicContact CG-CG 4.19Å; R291-Y420 VanDerWaalsContact O-CE1 3.27Å; R291-Y420 WeakPolarHBondContact O-CE1 3.41Å; R291-Y420 PolarHBondContact O-OH 2.85Å; L293-Y420 HydrophobicContact CB-CD1 4.05Å; L293-Y420 HydrophobicContact CB-CE1 4.02Å; L293-Y420 HydrophobicContact CB-CG 4.31Å; L293-Y420 HydrophobicContact CD1-CD2 3.74Å; L293-Y420 HydrophobicContact CD1-CE2 3.79Å; L293-Y420 HydrophobicContact CD1-CG 4.21Å; L296-Y420 HydrophobicContact CD1-CE2 4.45Å; L296-Y420 HydrophobicContact CD2-CE2 4.3Å; T379-Y420 HydrophobicContact CG2-CD2 4.19Å; T379-Y420 HydrophobicContact CG2-CE2 4.09Å; L380-Y420 PolarHBondContact O-N 3.36Å; V381-Y420 CarbonylContact C-O 3.47Å; V381-Y420 WeakPolarHBondContact CA-O 3.27Å; V381-Y420 HydrophobicContact CG2-CD2 4.47Å; A382-Y420 PolarHBondContact N-O 2.82Å; P418-Y420 HydrophobicContact CB-CE2 3.72Å
421	I	98.8	Very high	97.4	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	164.2	-59.4	178.1	0	0	0	107.7	T271 V272 W284 A382 W395 L403 F404 Y407 H423	T271-I421 CarbonylContact C-O 3.6Å; T271-I421 WeakPolarHBondContact CA-O 3.38Å; T271-I421 VanDerWaalsContact CB-O 3.25Å; T271-I421 WeakPolarHBondContact CB-O 3.49Å; V272-I421 HydrophobicContact CB-CB 4.33Å; V272-I421 HydrophobicContact CG2-CB 4.2Å; V272-I421 HydrophobicContact CG2-CG2 4.09Å; V272-I421 PolarHBondContact N-O 3.5Å; W284-I421 HydrophobicContact CH2-CD1 3.7Å; W284-I421 HydrophobicContact CZ3-CD1 3.75Å; A382-I421 HydrophobicContact CB-CG1 4.28Å; A382-I421 CarbonylContact O-C 3.36Å; A382-I421 WeakPolarHBondContact O-CA 3.16Å; W395-I421 HydrophobicContact CH2-CG2 3.77Å; W395-I421 HydrophobicContact CZ2-CG2 4.24Å; L403-I421 HydrophobicContact CD1-CD1 4.18Å; L403-I421 HydrophobicContact CD1-CG2 3.95Å; F404-I421 HydrophobicContact CD1-CD1 4.08Å; F404-I421 HydrophobicContact CE1-CD1 4.2Å; Y407-I421 HydrophobicContact CD1-CD1 3.97Å; Y407-I421 HydrophobicContact CD2-CD1 3.74Å; Y407-I421 HydrophobicContact CD2-CG1 3.67Å; Y407-I421 HydrophobicContact CE1-CD1 4.27Å; Y407-I421 HydrophobicContact CE2-CD1 4.07Å; Y407-I421 HydrophobicContact CE2-CG1 3.7Å; Y407-I421 HydrophobicContact CG-CD1 3.7Å; Y407-I421 HydrophobicContact CG-CG1 4.18Å; I421-H423 PolarHBondContact O-N 2.81Å
422	L	98.7	Very high	97.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-65.2	134.1	174.5	-66.2	-177.1	0	0	0	110.4	T271 L293 V381 A382 W383 Y426 V427 I452	T271-L422 HydrophobicContact CG2-CD2 4.32Å; L293-L422 HydrophobicContact CD2-CD2 4.37Å; V381-L422 HydrophobicContact CG1-CD1 4.12Å; V381-L422 HydrophobicContact CG1-CD2 3.65Å; V381-L422 HydrophobicContact CG1-CG 3.62Å; A382-L422 PolarHBondContact O-N 2.82Å; W383-L422 HydrophobicContact CB-CB 4.04Å; W383-L422 HydrophobicContact CB-CD1 3.94Å; W383-L422 HydrophobicContact CB-CG 4.24Å; L422-Y426 HydrophobicContact CD1-CD1 4.13Å; L422-Y426 HydrophobicContact CD1-CE1 4.13Å; L422-Y426 HydrophobicContact CD2-CD1 4.2Å; L422-Y426 HydrophobicContact CD2-CE1 4.33Å; L422-V427 HydrophobicContact CB-CG2 4.45Å; L422-I452 HydrophobicContact CD1-CG2 3.31Å
423	H	98.4	Very high	97.5	Very high	6 Å²	6	28 Å²	28	3%	0.028	16%	0.158	C	C	.	.			trans	-70.7	135.5	176.1	-172.7	-78.2	0	0	0	109.7	K270 E276 I421 S425 Y426	K270-H423 HydrophobicContact CB-CB 3.99Å; K270-H423 HydrophobicContact CD-CB 3.95Å; K270-H423 HydrophobicContact CG-CB 3.74Å; K270-H423 PolarHBondContact NZ-CE1 3.09Å; K270-H423 PolarHBondContact NZ-NE2 2.7Å; K270-H423 VanDerWaalsContact NZ-NE2 3.13Å; K270-H423 WeakPolarHBondContact O-CB 3.47Å; K270-H423 PolarHBondContact O-N 2.99Å; E276-H423 IonicContact OE1-NE2 2.64Å; E276-H423 IonicContact OE2-NE2 3.71Å; I421-H423 PolarHBondContact O-N 2.81Å; H423-S425 VanDerWaalsContact C-N 3.25Å; H423-S425 PolarHBondContact CE1-OG 3.23Å; H423-S425 VanDerWaalsContact CE1-OG 3.29Å; H423-S425 WeakPolarHBondContact ND1-CB 3.47Å; H423-S425 PolarHBondContact ND1-N 2.98Å; H423-S425 VanDerWaalsContact ND1-N 3.12Å; H423-S425 PolarHBondContact ND1-OG 3.39Å; H423-S425 PolarHBondContact O-N 3.47Å; H423-S425 VanDerWaalsContact O-N 3.14Å; H423-Y426 VanDerWaalsContact O-CB 3.32Å; H423-Y426 WeakPolarHBondContact O-CB 3.11Å; H423-Y426 PolarHBondContact O-N 2.95Å
424	P	98	Very high	97.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-28.7	-173.7	-21.6	29.7	0	0	0	114.7	A386 V390 L392 W395 Y426 V427 W428	A386-P424 HydrophobicContact CB-CB 3.45Å; A386-P424 VanDerWaalsContact CB-CB 3.45Å; A386-P424 HydrophobicContact CB-CG 3.63Å; V390-P424 HydrophobicContact CG1-CB 4.28Å; L392-P424 HydrophobicContact CD2-CG 4.17Å; W395-P424 HydrophobicContact CD2-CG 3.68Å; W395-P424 HydrophobicContact CE3-CG 3.53Å; W395-P424 HydrophobicContact CG-CG 4.39Å; W395-P424 HydrophobicContact CH2-CG 3.88Å; W395-P424 HydrophobicContact CZ2-CG 4.04Å; W395-P424 HydrophobicContact CZ3-CG 3.63Å; P424-Y426 VanDerWaalsContact C-N 3.26Å; P424-Y426 PolarHBondContact O-N 3.04Å; P424-V427 PolarHBondContact O-N 3.35Å; P424-W428 PolarHBondContact O-N 2.96Å
425	S	97.9	Very high	97.6	Very high	21 Å²	21	21.8 Å²	21.8	15%	0.147	12%	0.118	C	C	.	.	H	α-helix	trans	-60.2	-34.2	172.1	68.9	0	0	0	0	113.2	H423 R429	H423-S425 VanDerWaalsContact C-N 3.25Å; H423-S425 PolarHBondContact CE1-OG 3.23Å; H423-S425 VanDerWaalsContact CE1-OG 3.29Å; H423-S425 WeakPolarHBondContact ND1-CB 3.47Å; H423-S425 PolarHBondContact ND1-N 2.98Å; H423-S425 VanDerWaalsContact ND1-N 3.12Å; H423-S425 PolarHBondContact ND1-OG 3.39Å; H423-S425 PolarHBondContact O-N 3.47Å; H423-S425 VanDerWaalsContact O-N 3.14Å; S425-R429 WeakPolarHBondContact O-CB 3.49Å; S425-R429 VanDerWaalsContact O-CG 3.29Å; S425-R429 WeakPolarHBondContact O-CG 3.37Å; S425-R429 PolarHBondContact O-N 2.95Å
426	Y	98.1	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.4	-46.2	175.6	172.8	-105.5	0	0	0	110.2	Q268 L269 L422 H423 P424 W428 R429 L430 I452	Q268-Y426 VanDerWaalsContact O-CD2 3.29Å; Q268-Y426 WeakPolarHBondContact O-CD2 3.32Å; L269-Y426 HydrophobicContact CD2-CE1 4.01Å; L269-Y426 HydrophobicContact CD2-CE2 3.9Å; L269-Y426 WeakPolarHBondContact CD2-OH 3.34Å; L269-Y426 HydrophobicContact CG-CE2 4.46Å; L422-Y426 HydrophobicContact CD1-CD1 4.13Å; L422-Y426 HydrophobicContact CD1-CE1 4.13Å; L422-Y426 HydrophobicContact CD2-CD1 4.2Å; L422-Y426 HydrophobicContact CD2-CE1 4.33Å; H423-Y426 VanDerWaalsContact O-CB 3.32Å; H423-Y426 WeakPolarHBondContact O-CB 3.11Å; H423-Y426 PolarHBondContact O-N 2.95Å; P424-Y426 VanDerWaalsContact C-N 3.26Å; P424-Y426 PolarHBondContact O-N 3.04Å; Y426-W428 PolarHBondContact O-N 2.77Å; Y426-R429 PolarHBondContact O-N 3.12Å; Y426-L430 HydrophobicContact CD1-CD1 4.47Å; Y426-L430 HydrophobicContact CE1-CD1 3.81Å; Y426-L430 HydrophobicContact CE1-CG 4.48Å; Y426-L430 HydrophobicContact CE2-CD1 4.43Å; Y426-L430 HydrophobicContact CE2-CD2 4.39Å; Y426-L430 HydrophobicContact CE2-CG 4.43Å; Y426-L430 WeakPolarHBondContact O-CG 3.4Å; Y426-L430 PolarHBondContact O-N 3.19Å; Y426-L430 VanDerWaalsContact O-N 3.14Å; Y426-I452 HydrophobicContact CE1-CG2 4.2Å
427	V	98.2	Very high	97.8	Very high	3 Å²	3	11 Å²	11	2%	0.018	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-45	179.3	-178	0	0	0	0	111.4	W383 L422 P424 L430 W431 P446 I452	W383-V427 HydrophobicContact CE3-CG1 4.46Å; L422-V427 HydrophobicContact CB-CG2 4.45Å; P424-V427 PolarHBondContact O-N 3.35Å; V427-L430 WeakPolarHBondContact O-CB 3.42Å; V427-L430 PolarHBondContact O-N 3.02Å; V427-W431 PolarHBondContact O-N 2.92Å; V427-P446 HydrophobicContact CG1-CB 3.57Å; V427-I452 HydrophobicContact CG1-CD1 4.21Å; V427-I452 HydrophobicContact CG2-CD1 4.44Å
428	W	98.2	Very high	97.7	Very high	6 Å²	6	10.9 Å²	10.9	2%	0.023	6%	0.056	C	C	.	.	H	α-helix	trans	-74	-32.1	179.9	-71.5	122.4	0	0	0	113.8	H242 V244 A386 P387 Y388 P424 Y426 L430 W431 D432 P446	H242-W428 HydrophobicContact CB-CH2 3.74Å; H242-W428 HydrophobicContact CB-CZ2 3.61Å; H242-W428 AromaticContact CG-CH2 3.97Å; H242-W428 AromaticContact CG-CZ2 3.8Å; V244-W428 HydrophobicContact CG2-CH2 3.72Å; V244-W428 HydrophobicContact CG2-CZ3 3.73Å; A386-W428 VanDerWaalsContact O-CZ2 3.26Å; A386-W428 WeakPolarHBondContact O-CZ2 3.43Å; A386-W428 PolarHBondContact O-NE1 3.14Å; P387-W428 PolarHBondContact O-NE1 3.17Å; Y388-W428 HydrophobicContact CD2-CB 4.17Å; Y388-W428 AromaticContact CD2-CD2 3.65Å; Y388-W428 HydrophobicContact CD2-CD2 3.65Å; Y388-W428 AromaticContact CD2-CE3 3.62Å; Y388-W428 HydrophobicContact CD2-CE3 3.62Å; Y388-W428 AromaticContact CD2-CG 3.9Å; Y388-W428 HydrophobicContact CD2-CG 3.9Å; Y388-W428 HydrophobicContact CD2-CZ3 4.24Å; Y388-W428 HydrophobicContact CE2-CB 4.3Å; Y388-W428 HydrophobicContact CE2-CD2 4.43Å; Y388-W428 HydrophobicContact CE2-CE3 4.19Å; Y388-W428 HydrophobicContact CE2-CG 4.5Å; P424-W428 PolarHBondContact O-N 2.96Å; Y426-W428 PolarHBondContact O-N 2.77Å; W428-L430 VanDerWaalsContact C-N 3.28Å; W428-L430 PolarHBondContact O-N 2.89Å; W428-W431 HydrophobicContact CE3-CB 3.74Å; W428-W431 HydrophobicContact CE3-CD2 4.33Å; W428-W431 AromaticContact CE3-CG 3.87Å; W428-W431 HydrophobicContact CE3-CG 3.87Å; W428-W431 HydrophobicContact CZ3-CB 4.21Å; W428-W431 AromaticContact CZ3-CD1 3.97Å; W428-W431 HydrophobicContact CZ3-CD2 4.27Å; W428-W431 AromaticContact CZ3-CG 3.88Å; W428-W431 HydrophobicContact CZ3-CG 3.88Å; W428-W431 WeakPolarHBondContact O-CA 3.48Å; W428-W431 VanDerWaalsContact O-CB 3.31Å; W428-W431 WeakPolarHBondContact O-CB 3.44Å; W428-W431 PolarHBondContact O-N 3.49Å; W428-W431 VanDerWaalsContact O-N 3.09Å; W428-D432 PolarHBondContact O-N 3.43Å; W428-P446 HydrophobicContact CH2-CB 4.48Å
429	R	97.9	Very high	97.3	Very high	69 Å²	69	14.7 Å²	14.7	26%	0.26	7%	0.071	S	C	.	.	H	α-helix	trans	-59.8	-39.5	169.2	-78.4	-168.3	-57.2	-130.9	6.5	112	E266 Q268 S425 Y426 W431 D432 V433	E266-R429 HydrophobicContact CB-CB 4.49Å; E266-R429 PolarHBondContact O-NE 2.85Å; E266-R429 WeakPolarHBondContact OE2-CD 3.33Å; Q268-R429 PolarHBondContact O-NH2 3.06Å; S425-R429 WeakPolarHBondContact O-CB 3.49Å; S425-R429 VanDerWaalsContact O-CG 3.29Å; S425-R429 WeakPolarHBondContact O-CG 3.37Å; S425-R429 PolarHBondContact O-N 2.95Å; Y426-R429 PolarHBondContact O-N 3.12Å; R429-W431 VanDerWaalsContact C-N 3.32Å; R429-W431 PolarHBondContact O-N 2.64Å; R429-D432 WeakPolarHBondContact O-CB 3.31Å; R429-D432 PolarHBondContact O-N 3.35Å; R429-V433 WeakPolarHBondContact O-CG2 3.45Å; R429-V433 PolarHBondContact O-N 3.15Å
430	L	98.3	Very high	97	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-37.7	174.3	-65.6	-170.7	0	0	0	111.9	Y426 V427 W428 V433 I434 P447 F451 I452 L455	Y426-L430 HydrophobicContact CD1-CD1 4.47Å; Y426-L430 HydrophobicContact CE1-CD1 3.81Å; Y426-L430 HydrophobicContact CE1-CG 4.48Å; Y426-L430 HydrophobicContact CE2-CD1 4.43Å; Y426-L430 HydrophobicContact CE2-CD2 4.39Å; Y426-L430 HydrophobicContact CE2-CG 4.43Å; Y426-L430 WeakPolarHBondContact O-CG 3.4Å; Y426-L430 PolarHBondContact O-N 3.19Å; Y426-L430 VanDerWaalsContact O-N 3.14Å; V427-L430 WeakPolarHBondContact O-CB 3.42Å; V427-L430 PolarHBondContact O-N 3.02Å; W428-L430 VanDerWaalsContact C-N 3.28Å; W428-L430 PolarHBondContact O-N 2.89Å; L430-V433 PolarHBondContact O-N 3.21Å; L430-I434 WeakPolarHBondContact O-CG1 3.26Å; L430-I434 PolarHBondContact O-N 2.89Å; L430-P447 HydrophobicContact CB-CG 3.99Å; L430-F451 HydrophobicContact CB-CD1 4.38Å; L430-F451 HydrophobicContact CB-CE1 4.14Å; L430-F451 HydrophobicContact CD1-CD1 4.46Å; L430-I452 HydrophobicContact CD1-CB 4.5Å; L430-I452 HydrophobicContact CD1-CG1 4.17Å; L430-L455 HydrophobicContact CD1-CB 4.24Å; L430-L455 HydrophobicContact CD1-CG 4.46Å; L430-L455 HydrophobicContact CD2-CB 4.24Å; L430-L455 HydrophobicContact CD2-CG 3.98Å
431	W	98.4	Very high	96.7	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-43.4	172.5	-170.4	91.7	0	0	0	111.9	V244 Y246 Y388 V427 W428 R429 V433 I434 Q435 I442 Q443 N445 P447	V244-W431 HydrophobicContact CG1-CE3 4.24Å; V244-W431 HydrophobicContact CG1-CH2 3.47Å; V244-W431 VanDerWaalsContact CG1-CH2 3.47Å; V244-W431 HydrophobicContact CG1-CZ2 3.86Å; V244-W431 HydrophobicContact CG1-CZ3 3.67Å; Y246-W431 AromaticContact CD2-CZ3 3.8Å; Y246-W431 HydrophobicContact CD2-CZ3 3.8Å; Y246-W431 HydrophobicContact CG-CZ3 4.07Å; Y388-W431 HydrophobicContact CE2-CE3 4.34Å; V427-W431 PolarHBondContact O-N 2.92Å; W428-W431 HydrophobicContact CE3-CB 3.74Å; W428-W431 HydrophobicContact CE3-CD2 4.33Å; W428-W431 AromaticContact CE3-CG 3.87Å; W428-W431 HydrophobicContact CE3-CG 3.87Å; W428-W431 HydrophobicContact CZ3-CB 4.21Å; W428-W431 AromaticContact CZ3-CD1 3.97Å; W428-W431 HydrophobicContact CZ3-CD2 4.27Å; W428-W431 AromaticContact CZ3-CG 3.88Å; W428-W431 HydrophobicContact CZ3-CG 3.88Å; W428-W431 WeakPolarHBondContact O-CA 3.48Å; W428-W431 VanDerWaalsContact O-CB 3.31Å; W428-W431 WeakPolarHBondContact O-CB 3.44Å; W428-W431 PolarHBondContact O-N 3.49Å; W428-W431 VanDerWaalsContact O-N 3.09Å; R429-W431 VanDerWaalsContact C-N 3.32Å; R429-W431 PolarHBondContact O-N 2.64Å; W431-V433 VanDerWaalsContact C-N 3.28Å; W431-V433 PolarHBondContact O-N 2.92Å; W431-I434 WeakPolarHBondContact O-CA 3.26Å; W431-I434 WeakPolarHBondContact O-CB 3.32Å; W431-I434 PolarHBondContact O-N 3.05Å; W431-Q435 HydrophobicContact CE3-CB 4.02Å; W431-Q435 HydrophobicContact CH2-CB 3.74Å; W431-Q435 HydrophobicContact CH2-CG 3.69Å; W431-Q435 HydrophobicContact CZ2-CB 4.31Å; W431-Q435 HydrophobicContact CZ3-CB 3.59Å; W431-Q435 HydrophobicContact CZ3-CG 3.81Å; W431-Q435 PolarHBondContact O-N 2.96Å; W431-I442 HydrophobicContact CD2-CD1 4.23Å; W431-I442 HydrophobicContact CH2-CG1 4.27Å; W431-I442 HydrophobicContact CZ2-CD1 3.89Å; W431-I442 HydrophobicContact CZ2-CG1 3.44Å; W431-I442 VanDerWaalsContact CZ2-CG1 3.44Å; W431-Q443 PolarHBondContact NE1-O 3.29Å; W431-N445 PolarHBondContact NE1-O 3.02Å; W431-N445 VanDerWaalsContact NE1-O 3.15Å; W431-P447 HydrophobicContact CB-CG 4.07Å
432	D	97.8	Very high	96.6	Very high	42 Å²	42	22.5 Å²	22.5	23%	0.225	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-35	177.1	-72.7	-22.3	0	0	0	112.4	Y246 Y388 W428 R429 I434 S436	Y246-D432 WeakPolarHBondContact CD2-OD1 3.45Å; Y246-D432 HydrophobicContact CE2-CB 4.22Å; Y388-D432 PolarHBondContact OH-OD1 3.13Å; Y388-D432 VanDerWaalsContact OH-OD1 3.05Å; W428-D432 PolarHBondContact O-N 3.43Å; R429-D432 WeakPolarHBondContact O-CB 3.31Å; R429-D432 PolarHBondContact O-N 3.35Å; D432-I434 VanDerWaalsContact C-N 3.33Å; D432-S436 WeakPolarHBondContact O-CB 2.9Å; D432-S436 PolarHBondContact O-N 3.09Å; D432-S436 PolarHBondContact O-OG 3.49Å
433	V	97.6	Very high	96.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-43.2	171.8	172.5	0	0	0	0	110.7	L259 Q262 M263 E266 R429 L430 W431 S436 N437 L504	L259-V433 HydrophobicContact CD1-CG1 4.19Å; Q262-V433 HydrophobicContact CG-CG2 4.37Å; M263-V433 HydrophobicContact CE-CG1 4.18Å; M263-V433 HydrophobicContact CG-CG1 3.84Å; E266-V433 HydrophobicContact CB-CG2 3.65Å; E266-V433 HydrophobicContact CG-CG2 3.85Å; R429-V433 WeakPolarHBondContact O-CG2 3.45Å; R429-V433 PolarHBondContact O-N 3.15Å; L430-V433 PolarHBondContact O-N 3.21Å; W431-V433 VanDerWaalsContact C-N 3.28Å; W431-V433 PolarHBondContact O-N 2.92Å; V433-S436 WeakPolarHBondContact CA-OG 3.28Å; V433-S436 PolarHBondContact O-OG 3.07Å; V433-N437 WeakPolarHBondContact O-CB 3.42Å; V433-N437 PolarHBondContact O-N 3.44Å; V433-N437 PolarHBondContact O-ND2 3.43Å; V433-L504 HydrophobicContact CG1-CD1 4.29Å
434	I	97.6	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-50.3	178.1	-55.7	160.1	0	0	0	110.6	L430 W431 D432 N437 T438 I442 P447 F451 P497 E501 L504	L430-I434 WeakPolarHBondContact O-CG1 3.26Å; L430-I434 PolarHBondContact O-N 2.89Å; W431-I434 WeakPolarHBondContact O-CA 3.26Å; W431-I434 WeakPolarHBondContact O-CB 3.32Å; W431-I434 PolarHBondContact O-N 3.05Å; D432-I434 VanDerWaalsContact C-N 3.33Å; I434-N437 PolarHBondContact O-N 3.33Å; I434-T438 WeakPolarHBondContact O-CB 3.41Å; I434-T438 PolarHBondContact O-N 2.65Å; I434-T438 PolarHBondContact O-OG1 3.37Å; I434-I442 HydrophobicContact CB-CD1 3.79Å; I434-I442 HydrophobicContact CG2-CD1 3.52Å; I434-P447 HydrophobicContact CD1-CB 3.93Å; I434-P447 HydrophobicContact CD1-CG 3.83Å; I434-F451 HydrophobicContact CD1-CD1 4Å; I434-F451 HydrophobicContact CD1-CE1 3.84Å; I434-F451 HydrophobicContact CD1-CZ 4.25Å; I434-F451 HydrophobicContact CG1-CD1 4.49Å; I434-F451 HydrophobicContact CG1-CE1 3.85Å; I434-F451 HydrophobicContact CG1-CZ 3.87Å; I434-P497 HydrophobicContact CD1-CG 4.2Å; I434-E501 HydrophobicContact CD1-CG 3.55Å; I434-E501 HydrophobicContact CG1-CG 4.34Å; I434-L504 HydrophobicContact CB-CD1 4.35Å; I434-L504 HydrophobicContact CG1-CD1 4.15Å
435	Q	97.1	Very high	96.4	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-66.8	-41.9	-177.9	179.4	57.9	89.6	0	0	111.8	Y246 W431 N437 T438 E440 I442	Y246-Q435 HydrophobicContact CD1-CG 3.55Å; Y246-Q435 HydrophobicContact CD2-CB 4.36Å; Y246-Q435 HydrophobicContact CD2-CG 3.97Å; Y246-Q435 HydrophobicContact CE1-CG 3.79Å; Y246-Q435 HydrophobicContact CE2-CB 4.37Å; Y246-Q435 HydrophobicContact CE2-CG 4.19Å; Y246-Q435 HydrophobicContact CG-CB 4.49Å; Y246-Q435 HydrophobicContact CG-CG 3.63Å; W431-Q435 HydrophobicContact CE3-CB 4.02Å; W431-Q435 HydrophobicContact CH2-CB 3.74Å; W431-Q435 HydrophobicContact CH2-CG 3.69Å; W431-Q435 HydrophobicContact CZ2-CB 4.31Å; W431-Q435 HydrophobicContact CZ3-CB 3.59Å; W431-Q435 HydrophobicContact CZ3-CG 3.81Å; W431-Q435 PolarHBondContact O-N 2.96Å; Q435-N437 PolarHBondContact O-N 3.29Å; Q435-T438 PolarHBondContact O-N 3.14Å; Q435-T438 VanDerWaalsContact O-O 3.05Å; Q435-E440 PolarHBondContact NE2-O 3.08Å; Q435-I442 HydrophobicContact CB-CD1 3.86Å; Q435-I442 HydrophobicContact CB-CG1 4.25Å
436	S	97.1	Very high	96.4	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-31.7	177	59.4	0	0	0	0	112	Y246 R250 K251 Q262 D432 V433	Y246-S436 WeakPolarHBondContact OH-CA 3.08Å; Y246-S436 WeakPolarHBondContact OH-CB 2.95Å; R250-S436 CarbonylContact C-O 3.6Å; R250-S436 WeakPolarHBondContact CA-O 3.05Å; K251-S436 CarbonylContact C-O 3.57Å; K251-S436 PolarHBondContact N-O 3.13Å; Q262-S436 PolarHBondContact NE2-OG 3.2Å; D432-S436 WeakPolarHBondContact O-CB 2.9Å; D432-S436 PolarHBondContact O-N 3.09Å; D432-S436 PolarHBondContact O-OG 3.49Å; V433-S436 WeakPolarHBondContact CA-OG 3.28Å; V433-S436 PolarHBondContact O-OG 3.07Å
437	N	96.2	Very high	96.5	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.011	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	9.9	-179.4	-79.4	-90.3	0	0	0	114.3	G252 Q254 L259 Q262 V433 I434 Q435 L504 R507	G252-N437 WeakPolarHBondContact CA-O 3.45Å; Q254-N437 PolarHBondContact OE1-OD1 2.76Å; L259-N437 HydrophobicContact CD1-CB 4.49Å; Q262-N437 PolarHBondContact OE1-ND2 2.97Å; V433-N437 WeakPolarHBondContact O-CB 3.42Å; V433-N437 PolarHBondContact O-N 3.44Å; V433-N437 PolarHBondContact O-ND2 3.43Å; I434-N437 PolarHBondContact O-N 3.33Å; Q435-N437 PolarHBondContact O-N 3.29Å; N437-L504 HydrophobicContact CB-CD1 4.16Å; N437-L504 HydrophobicContact CB-CD2 3.59Å; N437-R507 PolarHBondContact O-NH2 2.92Å; N437-R507 PolarHBondContact OD1-NH1 2.97Å
438	T	93.2	Very high	96.5	Very high	14 Å²	14	22.2 Å²	22.2	9%	0.086	11%	0.108	C	C	.	.			trans	-123.6	135.9	-178.6	-57.6	0	0	0	0	110.1	R250 I434 Q435 E440 I442 Y500	R250-T438 WeakPolarHBondContact CD-O 3.15Å; I434-T438 WeakPolarHBondContact O-CB 3.41Å; I434-T438 PolarHBondContact O-N 2.65Å; I434-T438 PolarHBondContact O-OG1 3.37Å; Q435-T438 PolarHBondContact O-N 3.14Å; Q435-T438 VanDerWaalsContact O-O 3.05Å; T438-E440 HydrophobicContact CG2-CB 4.29Å; T438-I442 HydrophobicContact CG2-CG2 3.77Å; T438-Y500 HydrophobicContact CG2-CD1 3.36Å; T438-Y500 HydrophobicContact CG2-CE1 3.43Å; T438-Y500 VanDerWaalsContact CG2-CE1 3.43Å; T438-Y500 HydrophobicContact CG2-CG 4.14Å
439	Q	89.9	Confident	96.5	Very high	122 Å²	122	22.5 Å²	22.5	57%	0.57	11%	0.111	S	C	*	.	S	Bend	trans	-77.9	-27.2	179.9	-66.6	-61.7	-11.6	0	0	112.9	R250	R250-Q439 PolarHBondContact NH1-O 2.97Å
440	E	90.2	Very high	96.5	Very high	81 Å²	81	19.7 Å²	19.7	38%	0.379	10%	0.104	S	C	.	.	S	Bend	trans	-88.8	158.9	177.6	-63.4	168.6	-170.7	0	0	111.1	Q435 T438 Y500	Q435-E440 PolarHBondContact NE2-O 3.08Å; T438-E440 HydrophobicContact CG2-CB 4.29Å; E440-Y500 PolarHBondContact OE2-OH 2.91Å
441	N	93.4	Very high	96.5	Very high	86 Å²	86	19.7 Å²	19.7	46%	0.46	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-71.3	129.7	166.9	-67.7	-5	0	0	0	108.4	M233 M237 R250	M233-N441 WeakPolarHBondContact CE-O 3.4Å; M237-N441 HydrophobicContact CE-CB 3.42Å; M237-N441 VanDerWaalsContact CE-CB 3.42Å; R250-N441 PolarHBondContact NH1-OD1 3.27Å; R250-N441 PolarHBondContact NH2-OD1 2.93Å
442	I	95.8	Very high	96.6	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-94.4	168.5	176.9	72.3	-179.2	0	0	0	110.6	W431 I434 Q435 T438 P497 Y500	W431-I442 HydrophobicContact CD2-CD1 4.23Å; W431-I442 HydrophobicContact CH2-CG1 4.27Å; W431-I442 HydrophobicContact CZ2-CD1 3.89Å; W431-I442 HydrophobicContact CZ2-CG1 3.44Å; W431-I442 VanDerWaalsContact CZ2-CG1 3.44Å; I434-I442 HydrophobicContact CB-CD1 3.79Å; I434-I442 HydrophobicContact CG2-CD1 3.52Å; Q435-I442 HydrophobicContact CB-CD1 3.86Å; Q435-I442 HydrophobicContact CB-CG1 4.25Å; T438-I442 HydrophobicContact CG2-CG2 3.77Å; I442-P497 HydrophobicContact CB-CB 3.97Å; I442-P497 HydrophobicContact CD1-CB 3.92Å; I442-P497 HydrophobicContact CD1-CG 4.16Å; I442-P497 HydrophobicContact CG1-CB 4.18Å; I442-Y500 HydrophobicContact CB-CD2 3.87Å; I442-Y500 HydrophobicContact CB-CE2 4.03Å; I442-Y500 HydrophobicContact CG2-CD1 4.16Å; I442-Y500 HydrophobicContact CG2-CD2 3.42Å; I442-Y500 VanDerWaalsContact CG2-CD2 3.42Å; I442-Y500 HydrophobicContact CG2-CE1 4.34Å; I442-Y500 HydrophobicContact CG2-CE2 3.63Å; I442-Y500 HydrophobicContact CG2-CG 3.68Å
443	Q	96.9	Very high	96.6	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.019	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-54.3	126.6	174.2	-67.3	86.8	-26.1	0	0	110.2	M233 W431 N445 A494 Y495	M233-Q443 HydrophobicContact CG-CG 4.07Å; W431-Q443 PolarHBondContact NE1-O 3.29Å; Q443-N445 PolarHBondContact O-N 3.46Å; Q443-A494 PolarHBondContact NE2-O 3.19Å; Q443-Y495 WeakPolarHBondContact CB-O 3.32Å
444	P	97.6	Very high	96.7	Very high	10 Å²	10	17.4 Å²	17.4	7%	0.065	9%	0.092	C	C	.	.	S	Bend	trans	-78.7	47.5	-179.6	34.7	-38	0	0	0	112	Y236 N240 V244	Y236-P444 WeakPolarHBondContact O-CG 3.33Å; N240-P444 HydrophobicContact CB-CG 4.11Å; N240-P444 VanDerWaalsContact OD1-CB 3.29Å; N240-P444 WeakPolarHBondContact OD1-CB 3.24Å; V244-P444 HydrophobicContact CB-CB 3.67Å; V244-P444 HydrophobicContact CG1-CB 4.38Å; V244-P444 HydrophobicContact CG2-CB 3.68Å; V244-P444 WeakPolarHBondContact CG2-O 3.42Å
445	N	97.8	Very high	96.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.092	C	C	.	.	S	Bend	trans	-125.8	152	179.6	-68.6	-39	0	0	0	108.5	Y236 W431 Q443 Y495	Y236-N445 WeakPolarHBondContact CD1-ND2 3.49Å; W431-N445 PolarHBondContact NE1-O 3.02Å; W431-N445 VanDerWaalsContact NE1-O 3.15Å; Q443-N445 PolarHBondContact O-N 3.46Å; N445-Y495 HydrophobicContact CB-CD1 3.99Å; N445-Y495 HydrophobicContact CB-CE1 3.68Å; N445-Y495 HydrophobicContact CB-CE2 4.29Å; N445-Y495 HydrophobicContact CB-CG 4.42Å; N445-Y495 VanDerWaalsContact CB-O 3.27Å; N445-Y495 WeakPolarHBondContact CB-O 3.34Å; N445-Y495 PolarHBondContact ND2-O 3.41Å
446	P	97.9	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-59.4	156.8	-176.8	25	-35.3	0	0	0	112.2	W383 P385 V427 W428 Y495 H496	W383-P446 HydrophobicContact CH2-CG 4.18Å; W383-P446 HydrophobicContact CZ3-CB 3.94Å; W383-P446 HydrophobicContact CZ3-CG 3.79Å; P385-P446 HydrophobicContact CB-CG 3.96Å; P385-P446 HydrophobicContact CG-CG 3.96Å; V427-P446 HydrophobicContact CG1-CB 3.57Å; W428-P446 HydrophobicContact CH2-CB 4.48Å; P446-Y495 HydrophobicContact CG-CE1 4.27Å; P446-H496 PolarHBondContact O-ND1 3.01Å
447	P	98.4	Very high	96.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-57.7	156.3	174.6	-21	33.9	0	0	0	111.7	L430 W431 I434 F451 I452 E501	L430-P447 HydrophobicContact CB-CG 3.99Å; W431-P447 HydrophobicContact CB-CG 4.07Å; I434-P447 HydrophobicContact CD1-CB 3.93Å; I434-P447 HydrophobicContact CD1-CG 3.83Å; P447-F451 HydrophobicContact CB-CB 4.2Å; P447-F451 HydrophobicContact CB-CD1 3.86Å; P447-F451 HydrophobicContact CB-CG 4.41Å; P447-F451 HydrophobicContact CG-CD1 4.42Å; P447-I452 HydrophobicContact CB-CG1 4.35Å; P447-E501 WeakPolarHBondContact CA-OE1 3.41Å
448	S	98.7	Very high	96.8	Very high	11 Å²	11	17 Å²	17	8%	0.077	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-61.9	154.3	175.4	74.4	0	0	0	0	111.7	G450 F451 I452 E501	S448-G450 PolarHBondContact O-N 3.23Å; S448-G450 VanDerWaalsContact O-N 3.12Å; S448-G450 PolarHBondContact OG-N 3.45Å; S448-F451 PolarHBondContact O-N 2.97Å; S448-F451 PolarHBondContact OG-N 3.32Å; S448-I452 WeakPolarHBondContact O-CG1 3.43Å; S448-I452 PolarHBondContact O-N 3.05Å; S448-E501 VanDerWaalsContact CB-OE2 3.27Å; S448-E501 WeakPolarHBondContact CB-OE2 3.46Å; S448-E501 PolarHBondContact N-OE1 3.11Å; S448-E501 PolarHBondContact OG-OE2 3.47Å
449	S	98.6	Very high	96.8	Very high	11 Å²	11	18.1 Å²	18.1	8%	0.077	10%	0.1	C	C	.	.	H	α-helix	trans	-54.2	-32.4	170.8	-52.7	0	0	0	0	111.8	F336 W383 G453	F336-S449 WeakPolarHBondContact CE1-O 3.34Å; W383-S449 VanDerWaalsContact CE2-OG 3.31Å; W383-S449 VanDerWaalsContact CZ2-OG 3.25Å; W383-S449 WeakPolarHBondContact CZ2-OG 3.47Å; W383-S449 PolarHBondContact NE1-OG 3.03Å; S449-G453 PolarHBondContact O-N 3.36Å
450	G	98.6	Very high	97	Very high	10 Å²	10	12.4 Å²	12.4	10%	0.103	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-51.9	174.2	0	0	0	0	0	112.5	S448 G453 I454	S448-G450 PolarHBondContact O-N 3.23Å; S448-G450 VanDerWaalsContact O-N 3.12Å; S448-G450 PolarHBondContact OG-N 3.45Å; G450-G453 PolarHBondContact O-N 3.2Å; G450-I454 VanDerWaalsContact O-CG1 3.22Å; G450-I454 WeakPolarHBondContact O-CG1 3.27Å; G450-I454 PolarHBondContact O-N 3.14Å
451	F	98.8	Very high	97.2	Very high	1 Å²	1	8.6 Å²	8.6	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-64.8	-46.6	178.8	-169.2	-102.5	0	0	0	111.9	M263 L430 I434 P447 S448 G453 I454 L455 E501 I505	M263-F451 HydrophobicContact CE-CE2 4.31Å; M263-F451 HydrophobicContact CE-CZ 4.02Å; L430-F451 HydrophobicContact CB-CD1 4.38Å; L430-F451 HydrophobicContact CB-CE1 4.14Å; L430-F451 HydrophobicContact CD1-CD1 4.46Å; I434-F451 HydrophobicContact CD1-CD1 4Å; I434-F451 HydrophobicContact CD1-CE1 3.84Å; I434-F451 HydrophobicContact CD1-CZ 4.25Å; I434-F451 HydrophobicContact CG1-CD1 4.49Å; I434-F451 HydrophobicContact CG1-CE1 3.85Å; I434-F451 HydrophobicContact CG1-CZ 3.87Å; P447-F451 HydrophobicContact CB-CB 4.2Å; P447-F451 HydrophobicContact CB-CD1 3.86Å; P447-F451 HydrophobicContact CB-CG 4.41Å; P447-F451 HydrophobicContact CG-CD1 4.42Å; S448-F451 PolarHBondContact O-N 2.97Å; S448-F451 PolarHBondContact OG-N 3.32Å; F451-G453 PolarHBondContact O-N 3.41Å; F451-I454 PolarHBondContact O-N 3.1Å; F451-I454 VanDerWaalsContact O-N 3.15Å; F451-L455 HydrophobicContact CD1-CD2 4Å; F451-L455 HydrophobicContact CD2-CD2 4.01Å; F451-L455 HydrophobicContact CE1-CD2 3.79Å; F451-L455 HydrophobicContact CE1-CG 4.26Å; F451-L455 HydrophobicContact CE2-CD2 3.8Å; F451-L455 HydrophobicContact CG-CD2 4.12Å; F451-L455 HydrophobicContact CZ-CD2 3.69Å; F451-L455 HydrophobicContact CZ-CG 4.45Å; F451-L455 VanDerWaalsContact O-CD2 3.28Å; F451-L455 WeakPolarHBondContact O-CD2 3.38Å; F451-L455 PolarHBondContact O-N 2.97Å; F451-L455 VanDerWaalsContact O-N 3.11Å; F451-E501 HydrophobicContact CB-CB 4.27Å; F451-E501 HydrophobicContact CB-CG 3.99Å; F451-E501 WeakPolarHBondContact CB-OE2 3.34Å; F451-E501 HydrophobicContact CD2-CB 3.68Å; F451-E501 HydrophobicContact CD2-CG 3.97Å; F451-E501 HydrophobicContact CE2-CB 4.25Å; F451-E501 HydrophobicContact CG-CB 4.14Å; F451-E501 HydrophobicContact CG-CG 3.94Å; F451-I505 HydrophobicContact CD2-CD1 4.08Å; F451-I505 HydrophobicContact CD2-CG1 4.16Å; F451-I505 HydrophobicContact CE2-CD1 3.89Å; F451-I505 HydrophobicContact CE2-CG1 4.21Å
452	I	98.8	Very high	97.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-52.3	-46.7	174.3	-65.6	171	0	0	0	110.3	I356 W383 L422 Y426 V427 L430 P447 S448 L455 L456	I356-I452 HydrophobicContact CD1-CG2 4.44Å; W383-I452 HydrophobicContact CD2-CD1 3.85Å; W383-I452 HydrophobicContact CE3-CD1 4Å; W383-I452 HydrophobicContact CG-CD1 4.31Å; W383-I452 HydrophobicContact CZ2-CD1 4.43Å; W383-I452 HydrophobicContact CZ3-CD1 4.33Å; L422-I452 HydrophobicContact CD1-CG2 3.31Å; Y426-I452 HydrophobicContact CE1-CG2 4.2Å; V427-I452 HydrophobicContact CG1-CD1 4.21Å; V427-I452 HydrophobicContact CG2-CD1 4.44Å; L430-I452 HydrophobicContact CD1-CB 4.5Å; L430-I452 HydrophobicContact CD1-CG1 4.17Å; P447-I452 HydrophobicContact CB-CG1 4.35Å; S448-I452 WeakPolarHBondContact O-CG1 3.43Å; S448-I452 PolarHBondContact O-N 3.05Å; I452-L455 PolarHBondContact O-N 3.13Å; I452-L456 WeakPolarHBondContact O-CB 3.4Å; I452-L456 PolarHBondContact O-N 2.52Å
453	G	98.5	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.8	-38.8	179.5	0	0	0	0	0	114.8	L334 S449 G450 F451 L456 M457	L334-G453 WeakPolarHBondContact CD2-O 3.09Å; S449-G453 PolarHBondContact O-N 3.36Å; G450-G453 PolarHBondContact O-N 3.2Å; F451-G453 PolarHBondContact O-N 3.41Å; G453-L456 PolarHBondContact O-N 3.5Å; G453-M457 WeakPolarHBondContact O-CG 3.31Å; G453-M457 PolarHBondContact O-N 2.78Å
454	I	98.8	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-50.1	175.8	-68.1	163	0	0	0	110.2	V311 G450 F451 L456 M457 M458 V466 Y469 I505 L524	V311-I454 HydrophobicContact CG1-CG1 4.1Å; G450-I454 VanDerWaalsContact O-CG1 3.22Å; G450-I454 WeakPolarHBondContact O-CG1 3.27Å; G450-I454 PolarHBondContact O-N 3.14Å; F451-I454 PolarHBondContact O-N 3.1Å; F451-I454 VanDerWaalsContact O-N 3.15Å; I454-L456 VanDerWaalsContact C-N 3.32Å; I454-L456 PolarHBondContact O-N 3.35Å; I454-M457 PolarHBondContact O-N 3.02Å; I454-M458 HydrophobicContact CG2-CG 4.47Å; I454-M458 HydrophobicContact CG2-SD 4Å; I454-M458 WeakPolarHBondContact O-CG 3.45Å; I454-M458 PolarHBondContact O-N 3.33Å; I454-V466 HydrophobicContact CD1-CG1 3.67Å; I454-V466 HydrophobicContact CD1-CG2 4.25Å; I454-V466 HydrophobicContact CG1-CG1 3.83Å; I454-V466 HydrophobicContact CG1-CG2 3.88Å; I454-V466 HydrophobicContact CG2-CG2 4.16Å; I454-Y469 HydrophobicContact CD1-CD1 3.82Å; I454-Y469 HydrophobicContact CD1-CD2 4.05Å; I454-Y469 HydrophobicContact CD1-CE1 3.9Å; I454-Y469 HydrophobicContact CD1-CE2 4.15Å; I454-Y469 HydrophobicContact CD1-CG 3.89Å; I454-I505 HydrophobicContact CB-CD1 4.5Å; I454-I505 HydrophobicContact CD1-CD1 4.11Å; I454-I505 HydrophobicContact CD1-CG1 4Å; I454-I505 HydrophobicContact CG2-CD1 3.77Å; I454-L524 HydrophobicContact CG2-CD1 3.37Å
455	L	98.1	Very high	97.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-66.8	-36	-178	-79.9	-68.5	0	0	0	111.4	M263 L430 F451 I452 M458 A459 F527	M263-L455 HydrophobicContact CB-CD1 3.99Å; M263-L455 HydrophobicContact CG-CD1 4.1Å; M263-L455 HydrophobicContact SD-CD1 4.18Å; L430-L455 HydrophobicContact CD1-CB 4.24Å; L430-L455 HydrophobicContact CD1-CG 4.46Å; L430-L455 HydrophobicContact CD2-CB 4.24Å; L430-L455 HydrophobicContact CD2-CG 3.98Å; F451-L455 HydrophobicContact CD1-CD2 4Å; F451-L455 HydrophobicContact CD2-CD2 4.01Å; F451-L455 HydrophobicContact CE1-CD2 3.79Å; F451-L455 HydrophobicContact CE1-CG 4.26Å; F451-L455 HydrophobicContact CE2-CD2 3.8Å; F451-L455 HydrophobicContact CG-CD2 4.12Å; F451-L455 HydrophobicContact CZ-CD2 3.69Å; F451-L455 HydrophobicContact CZ-CG 4.45Å; F451-L455 VanDerWaalsContact O-CD2 3.28Å; F451-L455 WeakPolarHBondContact O-CD2 3.38Å; F451-L455 PolarHBondContact O-N 2.97Å; F451-L455 VanDerWaalsContact O-N 3.11Å; I452-L455 PolarHBondContact O-N 3.13Å; L455-M458 HydrophobicContact CD1-SD 4.31Å; L455-M458 PolarHBondContact O-N 3.06Å; L455-A459 PolarHBondContact O-N 3.36Å; L455-A459 VanDerWaalsContact O-N 3.13Å; L455-F527 HydrophobicContact CD1-CE1 4.49Å; L455-F527 HydrophobicContact CD1-CE2 4.36Å; L455-F527 HydrophobicContact CD1-CZ 3.58Å
456	L	97.5	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.4	-48.1	171.2	-179.2	155.2	0	0	0	111.6	L269 L293 I354 I356 V381 I452 G453 I454 M458 A459 L460	L269-L456 HydrophobicContact CD1-CG 4.38Å; L269-L456 HydrophobicContact CD2-CB 4.03Å; L269-L456 HydrophobicContact CD2-CD1 4.16Å; L269-L456 HydrophobicContact CD2-CG 3.94Å; L293-L456 HydrophobicContact CD2-CD1 3.86Å; I354-L456 HydrophobicContact CD1-CD2 4.35Å; I356-L456 HydrophobicContact CD1-CD1 4.07Å; V381-L456 HydrophobicContact CG1-CD1 4.15Å; V381-L456 HydrophobicContact CG2-CD1 4.34Å; I452-L456 WeakPolarHBondContact O-CB 3.4Å; I452-L456 PolarHBondContact O-N 2.52Å; G453-L456 PolarHBondContact O-N 3.5Å; I454-L456 VanDerWaalsContact C-N 3.32Å; I454-L456 PolarHBondContact O-N 3.35Å; L456-M458 VanDerWaalsContact C-N 3.32Å; L456-M458 PolarHBondContact O-N 3.18Å; L456-A459 WeakPolarHBondContact O-CB 3.11Å; L456-A459 PolarHBondContact O-N 3.04Å; L456-A459 VanDerWaalsContact O-N 3.13Å; L456-L460 HydrophobicContact CD2-CD1 3.62Å; L456-L460 HydrophobicContact CD2-CG 4.44Å; L456-L460 HydrophobicContact CG-CD1 4.43Å; L456-L460 WeakPolarHBondContact O-CG 3.39Å; L456-L460 PolarHBondContact O-N 3.43Å
457	M	97.6	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68.9	-31.3	178.9	-64.9	-56.7	-75.9	0	0	112.1	C309 V311 A332 L334 I354 G453 I454 A459 L460 C461 V464	C309-M457 HydrophobicContact CB-CE 3.53Å; C309-M457 VanDerWaalsContact SG-CE 3.58Å; V311-M457 HydrophobicContact CG2-CB 3.91Å; V311-M457 HydrophobicContact CG2-CG 3.65Å; A332-M457 HydrophobicContact CB-CE 4.07Å; L334-M457 HydrophobicContact CB-CE 4.2Å; L334-M457 HydrophobicContact CB-CG 3.8Å; L334-M457 HydrophobicContact CB-SD 3.84Å; L334-M457 HydrophobicContact CD2-CG 3.65Å; L334-M457 HydrophobicContact CD2-SD 4.33Å; L334-M457 HydrophobicContact CG-CG 4.28Å; L334-M457 HydrophobicContact CG-SD 4.48Å; I354-M457 HydrophobicContact CD1-SD 3.89Å; G453-M457 WeakPolarHBondContact O-CG 3.31Å; G453-M457 PolarHBondContact O-N 2.78Å; I454-M457 PolarHBondContact O-N 3.02Å; M457-A459 PolarHBondContact O-N 3.43Å; M457-L460 PolarHBondContact O-N 2.87Å; M457-L460 VanDerWaalsContact O-N 3.13Å; M457-C461 WeakPolarHBondContact O-CB 3.44Å; M457-C461 PolarHBondContact O-N 3.37Å; M457-C461 PolarHBondContact O-SG 2.83Å; M457-V464 HydrophobicContact CB-CG1 4.02Å; M457-V464 HydrophobicContact CB-CG2 4.02Å
458	M	96.9	Very high	97.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.8	-30.8	172	-71.3	173.4	74.4	0	0	112.2	L260 I454 L455 L456 V464 I508 L524 P525 G526 F527	L260-M458 HydrophobicContact CD2-CE 3.69Å; I454-M458 HydrophobicContact CG2-CG 4.47Å; I454-M458 HydrophobicContact CG2-SD 4Å; I454-M458 WeakPolarHBondContact O-CG 3.45Å; I454-M458 PolarHBondContact O-N 3.33Å; L455-M458 HydrophobicContact CD1-SD 4.31Å; L455-M458 PolarHBondContact O-N 3.06Å; L456-M458 VanDerWaalsContact C-N 3.32Å; L456-M458 PolarHBondContact O-N 3.18Å; M458-V464 HydrophobicContact CG-CG2 4.03Å; M458-I508 HydrophobicContact CE-CD1 3.88Å; M458-I508 HydrophobicContact SD-CD1 4.19Å; M458-L524 HydrophobicContact SD-CB 4.38Å; M458-L524 HydrophobicContact SD-CD1 4.02Å; M458-P525 WeakPolarHBondContact CE-O 3.38Å; M458-G526 CarbonylContact O-C 3.53Å; M458-G526 WeakPolarHBondContact O-CA 3.2Å; M458-F527 HydrophobicContact CB-CD1 4.37Å; M458-F527 HydrophobicContact CB-CD2 4.15Å; M458-F527 HydrophobicContact CB-CE1 4.2Å; M458-F527 HydrophobicContact CB-CE2 3.96Å; M458-F527 HydrophobicContact CB-CG 4.34Å; M458-F527 HydrophobicContact CB-CZ 3.99Å; M458-F527 HydrophobicContact CE-CD1 4.16Å; M458-F527 HydrophobicContact CE-CE1 3.63Å; M458-F527 HydrophobicContact CE-CZ 4.22Å; M458-F527 PolarHBondContact O-N 2.83Å; M458-F527 HydrophobicContact SD-CE1 4.46Å; M458-F527 HydrophobicContact SD-CZ 4.48Å
459	A	94.6	Very high	97.6	Very high	37 Å²	37	11.6 Å²	11.6	31%	0.306	6%	0.064	S	C	.	.	H	α-helix	trans	-74.2	-26.5	173.7	0	0	0	0	0	113.2	L269 L455 L456 M457 F527	L269-A459 HydrophobicContact CD1-CB 3.72Å; L269-A459 HydrophobicContact CG-CB 4.1Å; L455-A459 PolarHBondContact O-N 3.36Å; L455-A459 VanDerWaalsContact O-N 3.13Å; L456-A459 WeakPolarHBondContact O-CB 3.11Å; L456-A459 PolarHBondContact O-N 3.04Å; L456-A459 VanDerWaalsContact O-N 3.13Å; M457-A459 PolarHBondContact O-N 3.43Å; A459-F527 HydrophobicContact CB-CD2 3.91Å; A459-F527 HydrophobicContact CB-CE2 4.31Å
460	L	93.9	Very high	97.5	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-100.7	-10.5	-175.6	-61.6	-179	0	0	0	114.3	L269 N297 F306 I354 L456 M457	L269-L460 HydrophobicContact CD1-CD2 4.39Å; N297-L460 WeakPolarHBondContact ND2-CA 3.36Å; N297-L460 PolarHBondContact ND2-O 3.06Å; F306-L460 HydrophobicContact CD2-CB 4.36Å; F306-L460 PolarHBondContact N-O 2.87Å; F306-L460 VanDerWaalsContact N-O 3.15Å; I354-L460 HydrophobicContact CD1-CD1 3.7Å; L456-L460 HydrophobicContact CD2-CD1 3.62Å; L456-L460 HydrophobicContact CD2-CG 4.44Å; L456-L460 HydrophobicContact CG-CD1 4.43Å; L456-L460 WeakPolarHBondContact O-CG 3.39Å; L456-L460 PolarHBondContact O-N 3.43Å; M457-L460 PolarHBondContact O-N 2.87Å; M457-L460 VanDerWaalsContact O-N 3.13Å
461	C	94.6	Very high	97.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.007	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.9	-169.8	-47.7	0	0	0	0	112.2	F306 C309 M457 V464 G526	F306-C461 HydrophobicContact CB-CB 4.29Å; F306-C461 CarbonylContact O-C 3.56Å; F306-C461 WeakPolarHBondContact O-CA 3.42Å; C309-C461 HydrophobicContact CB-CB 3.66Å; C309-C461 WeakPolarHBondContact CB-SG 3.36Å; C309-C461 WeakPolarHBondContact SG-CB 3.42Å; C309-C461 CovalentContact SG-SG 2.01Å; C309-C461 PolarHBondContact SG-SG 3.05Å; M457-C461 WeakPolarHBondContact O-CB 3.44Å; M457-C461 PolarHBondContact O-N 3.37Å; M457-C461 PolarHBondContact O-SG 2.83Å; C461-V464 HydrophobicContact CB-CG2 3.94Å; C461-G526 WeakPolarHBondContact O-CA 3.37Å
462	E	95.1	Very high	97.1	Very high	60 Å²	60	10.7 Å²	10.7	28%	0.28	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-31.3	171.9	-62	176.5	-174.2	0	0	111.6	S304 F306 K307 G526 T529	S304-E462 WeakPolarHBondContact CB-OE1 3.42Å; S304-E462 PolarHBondContact OG-OE1 2.82Å; F306-E462 PolarHBondContact O-N 3.13Å; K307-E462 WeakPolarHBondContact O-CB 3.49Å; K307-E462 PolarHBondContact O-N 2.88Å; E462-G526 WeakPolarHBondContact O-CA 3.36Å; E462-G526 PolarHBondContact O-N 3.06Å; E462-T529 HydrophobicContact CB-CG2 3.91Å; E462-T529 HydrophobicContact CG-CG2 4.37Å; E462-T529 WeakPolarHBondContact O-CG2 3.28Å
463	Q	97.6	Very high	96.9	Very high	85 Å²	85	15.9 Å²	15.9	40%	0.397	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141	174.8	-178.4	174.1	83.5	0	0	110.7	K307 C309 H465 T523	K307-Q463 PolarHBondContact O-N 3.42Å; C309-Q463 PolarHBondContact N-O 3.08Å; Q463-H465 PolarHBondContact OE1-NE2 3.37Å; Q463-T523 HydrophobicContact CG-CG2 4.08Å
464	V	98.7	Very high	96.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.8	179.8	-173.6	0	0	0	0	110.2	C309 V311 M457 M458 C461 V466 L524	C309-V464 HydrophobicContact CB-CG2 4.46Å; C309-V464 CarbonylContact O-C 3.59Å; C309-V464 WeakPolarHBondContact O-CA 3.37Å; V311-V464 HydrophobicContact CG2-CG1 3.69Å; M457-V464 HydrophobicContact CB-CG1 4.02Å; M457-V464 HydrophobicContact CB-CG2 4.02Å; M458-V464 HydrophobicContact CG-CG2 4.03Å; C461-V464 HydrophobicContact CB-CG2 3.94Å; V464-V466 HydrophobicContact CG1-CG2 4.02Å; V464-L524 HydrophobicContact CB-CB 4.38Å; V464-L524 PolarHBondContact N-O 2.92Å; V464-L524 PolarHBondContact O-N 2.88Å
465	H	98.9	Very high	96.4	Very high	21 Å²	21	21.1 Å²	21.1	10%	0.097	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.8	166.2	-69.3	161.9	0	0	0	110	C309 A310 V311 H330 Q463 Y467 R521 A522 T523	C309-H465 PolarHBondContact O-N 3.43Å; A310-H465 CarbonylContact C-O 3.51Å; A310-H465 WeakPolarHBondContact CA-O 3.38Å; V311-H465 PolarHBondContact N-O 2.97Å; H330-H465 AromaticContact CD2-ND1 3.99Å; H330-H465 AromaticContact CE1-ND1 3.6Å; H330-H465 AromaticContact NE2-CE1 3.73Å; H330-H465 AromaticContact NE2-CG 3.54Å; H330-H465 AromaticContact NE2-ND1 2.83Å; H330-H465 PolarHBondContact NE2-ND1 3.43Å; Q463-H465 PolarHBondContact OE1-NE2 3.37Å; H465-Y467 HydrophobicContact CB-CD2 4.42Å; H465-Y467 HydrophobicContact CB-CE2 3.6Å; H465-R521 HydrophobicContact CB-CG 4.12Å; H465-A522 CarbonylContact C-O 3.49Å; H465-A522 WeakPolarHBondContact CA-O 3.28Å; H465-T523 PolarHBondContact CD2-OG1 3.45Å
466	V	98.9	Very high	96	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.6	-179.3	-171.3	0	0	0	0	108.8	V311 I454 V464 Y469 R521 A522 L524	V311-V466 HydrophobicContact CB-CB 4.48Å; V311-V466 HydrophobicContact CB-CG1 4.19Å; V311-V466 HydrophobicContact CB-CG2 4.29Å; V311-V466 HydrophobicContact CG1-CG1 4.23Å; I454-V466 HydrophobicContact CD1-CG1 3.67Å; I454-V466 HydrophobicContact CD1-CG2 4.25Å; I454-V466 HydrophobicContact CG1-CG1 3.83Å; I454-V466 HydrophobicContact CG1-CG2 3.88Å; I454-V466 HydrophobicContact CG2-CG2 4.16Å; V464-V466 HydrophobicContact CG1-CG2 4.02Å; V466-Y469 VanDerWaalsContact CG1-CB 3.42Å; V466-Y469 HydrophobicContact CG1-CG 4.11Å; V466-R521 VanDerWaalsContact O-CA 3.31Å; V466-R521 WeakPolarHBondContact O-CA 3.13Å; V466-A522 HydrophobicContact CB-CB 4.38Å; V466-A522 PolarHBondContact N-O 3.07Å; V466-A522 PolarHBondContact O-N 3.4Å; V466-L524 HydrophobicContact CG2-CD1 3.72Å; V466-L524 HydrophobicContact CG2-CG 4.26Å
467	Y	98.9	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.3	-172.4	-65.7	-85.5	0	0	0	111.9	A310 V311 T313 L323 E326 I327 H330 H465 Y469 G520 R521	A310-Y467 HydrophobicContact CB-CD2 4.17Å; A310-Y467 HydrophobicContact CB-CE2 3.75Å; V311-Y467 PolarHBondContact O-N 3.28Å; T313-Y467 VanDerWaalsContact CG2-O 3.29Å; T313-Y467 WeakPolarHBondContact CG2-O 3.42Å; T313-Y467 PolarHBondContact N-O 2.99Å; T313-Y467 PolarHBondContact OG1-O 3.47Å; T313-Y467 VanDerWaalsContact OG1-O 3.07Å; L323-Y467 HydrophobicContact CD1-CD1 3.97Å; L323-Y467 HydrophobicContact CD1-CE1 4.48Å; L323-Y467 HydrophobicContact CD2-CE1 4.42Å; E326-Y467 WeakPolarHBondContact OE1-CE1 3.35Å; E326-Y467 PolarHBondContact OE1-OH 3.02Å; I327-Y467 HydrophobicContact CD1-CG 4.49Å; I327-Y467 HydrophobicContact CG1-CD1 4.45Å; I327-Y467 HydrophobicContact CG1-CD2 4.02Å; I327-Y467 HydrophobicContact CG1-CE1 4.31Å; I327-Y467 HydrophobicContact CG1-CE2 3.89Å; I327-Y467 HydrophobicContact CG1-CG 4.29Å; H330-Y467 PolarHBondContact CE1-OH 3.18Å; H465-Y467 HydrophobicContact CB-CD2 4.42Å; H465-Y467 HydrophobicContact CB-CE2 3.6Å; Y467-Y469 PolarHBondContact O-N 2.91Å; Y467-Y469 VanDerWaalsContact O-N 3.11Å; Y467-G520 CarbonylContact C-O 3.57Å; Y467-R521 HydrophobicContact CD1-CB 4.08Å; Y467-R521 HydrophobicContact CD1-CG 4.05Å; Y467-R521 HydrophobicContact CE1-CB 4.06Å; Y467-R521 HydrophobicContact CE1-CG 3.72Å
468	E	98.2	Very high	95.5	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	52	30.6	177.9	-60.2	-68.7	176	0	0	113.8	T313 A315 I318 S472 R474 G520	T313-E468 VanDerWaalsContact OG1-C 3.25Å; T313-E468 PolarHBondContact OG1-O 3.3Å; A315-E468 HydrophobicContact CB-CB 4.17Å; A315-E468 WeakPolarHBondContact CB-O 3.3Å; I318-E468 HydrophobicContact CB-CB 4.38Å; I318-E468 HydrophobicContact CB-CG 3.87Å; I318-E468 HydrophobicContact CD1-CG 4.48Å; I318-E468 HydrophobicContact CG1-CG 4.07Å; E468-S472 VanDerWaalsContact OE1-CB 3.27Å; E468-S472 WeakPolarHBondContact OE1-CB 3.1Å; E468-S472 PolarHBondContact OE1-OG 3.09Å; E468-S472 PolarHBondContact OE2-N 2.84Å; E468-S472 PolarHBondContact OE2-OG 2.97Å; E468-R474 IonicContact OE1-CZ 2.68Å; E468-R474 IonicContact OE1-NE 3.77Å; E468-R474 PolarHBondContact OE1-NE 3.25Å; E468-R474 IonicContact OE1-NH2 3.48Å; E468-R474 PolarHBondContact OE1-NH2 2.94Å; E468-G520 PolarHBondContact N-O 2.78Å
469	Y	97.8	Very high	95.3	Very high	9 Å²	9	25.7 Å²	25.7	4%	0.035	13%	0.131	C	C	.	.	S	Bend	trans	-81.9	-54.2	165	-171.2	-103.8	0	0	0	109.9	T313 I454 V466 Y467 L498 E501 K502 I505	T313-Y469 HydrophobicContact CG2-CD2 3.8Å; T313-Y469 HydrophobicContact CG2-CG 4.22Å; I454-Y469 HydrophobicContact CD1-CD1 3.82Å; I454-Y469 HydrophobicContact CD1-CD2 4.05Å; I454-Y469 HydrophobicContact CD1-CE1 3.9Å; I454-Y469 HydrophobicContact CD1-CE2 4.15Å; I454-Y469 HydrophobicContact CD1-CG 3.89Å; V466-Y469 VanDerWaalsContact CG1-CB 3.42Å; V466-Y469 HydrophobicContact CG1-CG 4.11Å; Y467-Y469 PolarHBondContact O-N 2.91Å; Y467-Y469 VanDerWaalsContact O-N 3.11Å; Y469-L498 HydrophobicContact CE2-CD1 3.92Å; Y469-E501 WeakPolarHBondContact OH-CB 3.35Å; Y469-E501 PolarHBondContact OH-OE2 3.07Å; Y469-K502 HydrophobicContact CD1-CG 3.95Å; Y469-K502 HydrophobicContact CE1-CB 4.39Å; Y469-K502 HydrophobicContact CE1-CG 3.61Å; Y469-K502 WeakPolarHBondContact O-CD 3.3Å; Y469-K502 WeakPolarHBondContact O-CE 3.32Å; Y469-K502 PolarHBondContact O-NZ 3.13Å; Y469-I505 HydrophobicContact CD1-CB 4.31Å; Y469-I505 HydrophobicContact CD1-CG1 4.13Å; Y469-I505 HydrophobicContact CD1-CG2 4.24Å; Y469-I505 HydrophobicContact CE1-CB 4.17Å; Y469-I505 HydrophobicContact CE1-CG1 3.67Å
470	I	96.6	Very high	95.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.123	C	C	.	.	S	Bend	trans	-87.2	117.4	162.2	-59.7	174.8	0	0	0	106.3	K502 I505 Q506 L516	I470-K502 HydrophobicContact CG1-CB 4.36Å; I470-I505 HydrophobicContact CD1-CG2 4.17Å; I470-Q506 HydrophobicContact CD1-CB 3.7Å; I470-Q506 HydrophobicContact CD1-CG 4.44Å; I470-L516 HydrophobicContact CB-CD2 4.09Å; I470-L516 HydrophobicContact CD1-CD2 4.24Å; I470-L516 HydrophobicContact CG2-CD2 4.24Å
471	P	94	Very high	95.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.019	12%	0.123	C	C	.	.			trans	-65.6	145.5	-169.3	-21.3	32.3	0	0	0	113.4	V212 W216 Q475 T491	V212-P471 HydrophobicContact CG1-CB 4.27Å; V212-P471 HydrophobicContact CG2-CB 4.3Å; V212-P471 HydrophobicContact CG2-CG 4.19Å; W216-P471 PolarHBondContact NE1-O 3.36Å; P471-Q475 HydrophobicContact CB-CB 4.2Å; P471-T491 HydrophobicContact CG-CG2 3.39Å
472	S	95.8	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.			trans	-77.7	-172.8	170.5	72.5	0	0	0	0	112.9	E468 R474 Q475 L516 R517 G520	E468-S472 VanDerWaalsContact OE1-CB 3.27Å; E468-S472 WeakPolarHBondContact OE1-CB 3.1Å; E468-S472 PolarHBondContact OE1-OG 3.09Å; E468-S472 PolarHBondContact OE2-N 2.84Å; E468-S472 PolarHBondContact OE2-OG 2.97Å; S472-R474 PolarHBondContact O-N 2.9Å; S472-R474 WeakPolarHBondContact OG-CB 3.36Å; S472-R474 VanDerWaalsContact OG-CZ 3.28Å; S472-R474 PolarHBondContact OG-N 2.75Å; S472-R474 VanDerWaalsContact OG-N 3.08Å; S472-R474 PolarHBondContact OG-NE 3.37Å; S472-R474 PolarHBondContact OG-NH2 3.32Å; S472-R474 VanDerWaalsContact OG-NH2 3.17Å; S472-Q475 PolarHBondContact O-N 2.88Å; S472-L516 WeakPolarHBondContact CA-O 3.25Å; S472-R517 WeakPolarHBondContact CB-O 3.35Å; S472-G520 VanDerWaalsContact CB-N 3.35Å
473	M	94.1	Very high	95.6	Very high	109 Å²	109	27 Å²	27	54%	0.537	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-13	168.2	-70	-176.7	-51.9	0	0	113.1	W216 Q475 R517 R518	W216-M473 HydrophobicContact CH2-CG 3.73Å; W216-M473 HydrophobicContact CZ2-CG 4.29Å; M473-Q475 PolarHBondContact O-N 3.37Å; M473-R517 HydrophobicContact CG-CB 4.4Å; M473-R517 VanDerWaalsContact CG-O 3.31Å; M473-R517 WeakPolarHBondContact CG-O 3.3Å; M473-R517 PolarHBondContact N-O 3.21Å; M473-R518 HydrophobicContact CE-CG 4.18Å
474	R	94.3	Very high	95.4	Very high	70 Å²	70	34.5 Å²	34.5	26%	0.264	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	14.8	170.4	-63.1	176	-68.5	-76.2	-4.7	113.1	A317 L319 E468 S472 S476 R518 K519	A317-R474 HydrophobicContact CB-CB 4.42Å; A317-R474 WeakPolarHBondContact CB-O 3.49Å; A317-R474 WeakPolarHBondContact O-CB 3.44Å; A317-R474 WeakPolarHBondContact O-CD 3.35Å; A317-R474 PolarHBondContact O-NE 2.82Å; L319-R474 WeakPolarHBondContact O-CD 3.12Å; E468-R474 IonicContact OE1-CZ 2.68Å; E468-R474 IonicContact OE1-NE 3.77Å; E468-R474 PolarHBondContact OE1-NE 3.25Å; E468-R474 IonicContact OE1-NH2 3.48Å; E468-R474 PolarHBondContact OE1-NH2 2.94Å; S472-R474 PolarHBondContact O-N 2.9Å; S472-R474 WeakPolarHBondContact OG-CB 3.36Å; S472-R474 VanDerWaalsContact OG-CZ 3.28Å; S472-R474 PolarHBondContact OG-N 2.75Å; S472-R474 VanDerWaalsContact OG-N 3.08Å; S472-R474 PolarHBondContact OG-NE 3.37Å; S472-R474 PolarHBondContact OG-NH2 3.32Å; S472-R474 VanDerWaalsContact OG-NH2 3.17Å; R474-S476 PolarHBondContact O-N 3.46Å; R474-R518 PolarHBondContact NH1-O 3.4Å; R474-R518 PolarHBondContact NH2-O 3.31Å; R474-R518 VanDerWaalsContact NH2-O 3.14Å; R474-K519 PolarHBondContact NH2-O 2.82Å
475	Q	91.3	Very high	95	Very high	40 Å²	40	38.3 Å²	38.3	19%	0.187	17%	0.17	C	C	.	.			trans	-42.2	127.5	175.1	170.8	60.4	18.9	0	0	110.6	V212 P471 S472 M473	V212-Q475 HydrophobicContact CG2-CB 4.3Å; V212-Q475 HydrophobicContact CG2-CG 3.81Å; P471-Q475 HydrophobicContact CB-CB 4.2Å; S472-Q475 PolarHBondContact O-N 2.88Å; M473-Q475 PolarHBondContact O-N 3.37Å
476	S	90.4	Very high	94.7	Very high	41 Å²	41	44.5 Å²	44.5	29%	0.287	19%	0.194	S	C	.	.			trans	-140.3	153.9	-179.2	-179.6	0	0	0	0	109.1	R474 L478	R474-S476 PolarHBondContact O-N 3.46Å; S476-L478 WeakPolarHBondContact OG-CB 3.22Å; S476-L478 PolarHBondContact OG-N 3.32Å
477	D	91.2	Very high	94.3	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.193	20%	0.197	C	C	.	.	S	Bend	trans	-79.2	-8.7	169.4	-74	-6.1	0	0	0	111.4	C479 Y486 D487	D477-C479 PolarHBondContact O-N 3.22Å; D477-Y486 HydrophobicContact CB-CD1 4.5Å; D477-Y486 CarbonylContact O-C 3.53Å; D477-Y486 VanDerWaalsContact O-CA 3.25Å; D477-Y486 WeakPolarHBondContact O-CA 3.29Å; D477-D487 CarbonylContact O-C 3.49Å; D477-D487 PolarHBondContact O-N 2.69Å
478	L	94.4	Very high	93.9	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-56.5	112.2	170.6	-178.2	65.6	0	0	0	109.6	G316 L319 S476 H480 E483 Y486	G316-L478 WeakPolarHBondContact CA-O 3.11Å; G316-L478 PolarHBondContact N-O 3.22Å; L319-L478 HydrophobicContact CD1-CD2 3.64Å; S476-L478 WeakPolarHBondContact OG-CB 3.22Å; S476-L478 PolarHBondContact OG-N 3.32Å; L478-H480 WeakPolarHBondContact CG-O 3.41Å; L478-E483 WeakPolarHBondContact CD1-O 3.5Å; L478-Y486 HydrophobicContact CB-CD1 4.01Å; L478-Y486 HydrophobicContact CB-CE1 3.77Å; L478-Y486 HydrophobicContact CD1-CD1 4.38Å; L478-Y486 HydrophobicContact CD1-CD2 4.42Å; L478-Y486 HydrophobicContact CD1-CE1 3.99Å; L478-Y486 HydrophobicContact CD1-CE2 4.02Å; L478-Y486 HydrophobicContact CG-CE1 4.46Å
479	C	92.7	Very high	93.6	Very high	2 Å²	2	46 Å²	46	1%	0.014	20%	0.204	C	C	.	.			trans	-63.8	-53.8	-171	-179.6	0	0	0	0	110.5	G316 D477 Y485 C490	G316-C479 PolarHBondContact N-O 3.41Å; D477-C479 PolarHBondContact O-N 3.22Å; C479-Y485 HydrophobicContact CB-CD1 3.52Å; C479-Y485 HydrophobicContact CB-CE1 4.1Å; C479-Y485 HydrophobicContact CB-CG 4.44Å; C479-Y485 VanDerWaalsContact CB-O 3.27Å; C479-Y485 WeakPolarHBondContact CB-O 3.42Å; C479-Y485 PolarHBondContact N-O 2.58Å; C479-C490 HydrophobicContact CB-CB 3.68Å; C479-C490 WeakPolarHBondContact CB-SG 3.39Å; C479-C490 WeakPolarHBondContact SG-CB 3.26Å; C479-C490 CovalentContact SG-SG 2.02Å; C479-C490 PolarHBondContact SG-SG 3.34Å
480	H	96.8	Very high	93.4	Very high	28 Å²	28	47 Å²	47	13%	0.13	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-128	143.8	179.3	-54.6	130	0	0	0	112.7	S314 L478 H482 E483	S314-H480 VanDerWaalsContact CB-CD2 3.45Å; S314-H480 WeakPolarHBondContact CB-CD2 3.4Å; S314-H480 CarbonylContact O-C 3.54Å; S314-H480 WeakPolarHBondContact O-CA 3.38Å; L478-H480 WeakPolarHBondContact CG-O 3.41Å; H480-H482 PolarHBondContact O-N 2.88Å; H480-H482 VanDerWaalsContact O-N 3.13Å; H480-E483 HydrophobicContact CB-CB 4.2Å; H480-E483 HydrophobicContact CB-CG 4.09Å; H480-E483 IonicContact CE1-OE2 2.75Å; H480-E483 IonicContact CG-OE2 3.48Å; H480-E483 IonicContact ND1-OE1 3.54Å; H480-E483 PolarHBondContact ND1-OE1 3.47Å; H480-E483 IonicContact ND1-OE2 3.61Å; H480-E483 PolarHBondContact ND1-OE2 3.39Å; H480-E483 PolarHBondContact O-N 3.43Å
481	Y	97.9	Very high	93.2	Very high	6 Å²	6	47.3 Å²	47.3	2%	0.024	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	-179.2	64.1	-105.6	0	0	0	114.3	S314 I318 A339 P340 Y344 V348	S314-Y481 VanDerWaalsContact O-CD1 3.29Å; S314-Y481 WeakPolarHBondContact O-CD1 3.22Å; S314-Y481 PolarHBondContact O-N 3.32Å; S314-Y481 VanDerWaalsContact O-N 3.08Å; I318-Y481 HydrophobicContact CG2-CD1 3.59Å; I318-Y481 HydrophobicContact CG2-CE1 4.41Å; I318-Y481 HydrophobicContact CG2-CG 3.89Å; A339-Y481 HydrophobicContact CB-CE1 4.34Å; A339-Y481 VanDerWaalsContact CB-OH 3.3Å; A339-Y481 WeakPolarHBondContact CB-OH 3.4Å; P340-Y481 HydrophobicContact CG-CE2 4.27Å; P340-Y481 WeakPolarHBondContact O-CE2 3.5Å; P340-Y481 PolarHBondContact O-OH 3.45Å; Y344-Y481 AromaticContact CD1-CD2 3.73Å; Y344-Y481 HydrophobicContact CD1-CD2 3.73Å; Y344-Y481 HydrophobicContact CD1-CE2 4.35Å; Y344-Y481 HydrophobicContact CD2-CD2 4.07Å; Y344-Y481 AromaticContact CD2-CE2 3.98Å; Y344-Y481 HydrophobicContact CD2-CE2 3.98Å; Y344-Y481 AromaticContact CE1-CD2 3.98Å; Y344-Y481 HydrophobicContact CE1-CD2 3.98Å; Y344-Y481 WeakPolarHBondContact CE1-O 3.48Å; Y344-Y481 HydrophobicContact CE2-CD2 4.31Å; Y344-Y481 HydrophobicContact CE2-CE2 4.46Å; Y344-Y481 AromaticContact CG-CD2 3.79Å; Y344-Y481 HydrophobicContact CG-CD2 3.79Å; Y344-Y481 AromaticContact CG-CE2 3.93Å; Y344-Y481 HydrophobicContact CG-CE2 3.93Å; Y344-Y481 PolarHBondContact OH-O 3.2Å; V348-Y481 HydrophobicContact CG1-CD1 4.3Å; V348-Y481 HydrophobicContact CG1-CD2 4.45Å; V348-Y481 HydrophobicContact CG1-CE1 4.09Å; V348-Y481 HydrophobicContact CG1-CE2 4.27Å; V348-Y481 HydrophobicContact CG1-CG 4.48Å
482	H	96.3	Very high	93.1	Very high	46 Å²	46	47.4 Å²	47.4	21%	0.213	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	9.9	-176.3	56.4	-83.3	0	0	0	113.5	P340 Y344 H480	P340-H482 HydrophobicContact CG-CB 3.65Å; Y344-H482 HydrophobicContact CE2-CB 3.97Å; Y344-H482 WeakPolarHBondContact OH-CA 2.95Å; H480-H482 PolarHBondContact O-N 2.88Å; H480-H482 VanDerWaalsContact O-N 3.13Å
483	E	92.6	Very high	92.9	Very high	48 Å²	48	47.6 Å²	47.6	22%	0.224	22%	0.216	C	C	.	.	S	Bend	trans	-126.9	170.7	179.9	-65	178.5	171.5	0	0	110.5	L478 H480	L478-E483 WeakPolarHBondContact CD1-O 3.5Å; H480-E483 HydrophobicContact CB-CB 4.2Å; H480-E483 HydrophobicContact CB-CG 4.09Å; H480-E483 IonicContact CE1-OE2 2.75Å; H480-E483 IonicContact CG-OE2 3.48Å; H480-E483 IonicContact ND1-OE1 3.54Å; H480-E483 PolarHBondContact ND1-OE1 3.47Å; H480-E483 IonicContact ND1-OE2 3.61Å; H480-E483 PolarHBondContact ND1-OE2 3.39Å; H480-E483 PolarHBondContact O-N 3.43Å
484	R	92.8	Very high	92.7	Very high	244 Å²	244	42.5 Å²	42.5	92%	0.921	19%	0.192	S	C	*	.			trans	-112.2	36.2	171.7	-63.6	-175.1	179.3	-178.4	0.1	111.5
485	Y	91.8	Very high	92.7	Very high	79 Å²	79	40.6 Å²	40.6	31%	0.31	19%	0.185	S	C	.	.			trans	-108	127.8	-178.8	176.7	-114.3	0	0	0	110.4	C479 D487	C479-Y485 HydrophobicContact CB-CD1 3.52Å; C479-Y485 HydrophobicContact CB-CE1 4.1Å; C479-Y485 HydrophobicContact CB-CG 4.44Å; C479-Y485 VanDerWaalsContact CB-O 3.27Å; C479-Y485 WeakPolarHBondContact CB-O 3.42Å; C479-Y485 PolarHBondContact N-O 2.58Å; Y485-D487 HydrophobicContact CE1-CB 3.7Å; Y485-D487 HydrophobicContact CE2-CB 4.47Å; Y485-D487 WeakPolarHBondContact OH-CB 3.36Å; Y485-D487 PolarHBondContact OH-OD2 3.44Å
486	Y	92.7	Very high	93	Very high	152 Å²	152	40.6 Å²	40.6	60%	0.596	19%	0.185	S	C	*	.	B	Isolated β-bridge	trans	-113.7	115.6	-177.2	-67.2	-100	0	0	0	109.7	D477 L478	D477-Y486 HydrophobicContact CB-CD1 4.5Å; D477-Y486 CarbonylContact O-C 3.53Å; D477-Y486 VanDerWaalsContact O-CA 3.25Å; D477-Y486 WeakPolarHBondContact O-CA 3.29Å; L478-Y486 HydrophobicContact CB-CD1 4.01Å; L478-Y486 HydrophobicContact CB-CE1 3.77Å; L478-Y486 HydrophobicContact CD1-CD1 4.38Å; L478-Y486 HydrophobicContact CD1-CD2 4.42Å; L478-Y486 HydrophobicContact CD1-CE1 3.99Å; L478-Y486 HydrophobicContact CD1-CE2 4.02Å; L478-Y486 HydrophobicContact CG-CE1 4.46Å
487	D	90.8	Very high	93.3	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.08	17%	0.171	C	C	.	.			trans	-156.9	119.8	170.4	-158.1	-45.6	0	0	0	113	W134 R228 D477 Y485 A489 C490	W134-D487 HydrophobicContact CE3-CB 4.46Å; W134-D487 HydrophobicContact CH2-CB 4.37Å; W134-D487 WeakPolarHBondContact CH2-OD1 3.5Å; W134-D487 WeakPolarHBondContact CH2-OD2 3.46Å; W134-D487 HydrophobicContact CZ3-CB 3.74Å; W134-D487 WeakPolarHBondContact CZ3-OD1 3.31Å; W134-D487 WeakPolarHBondContact CZ3-OD2 3.39Å; R228-D487 IonicContact CZ-OD1 2.62Å; R228-D487 IonicContact CZ-OD2 3.41Å; R228-D487 IonicContact NH1-OD1 3.91Å; R228-D487 IonicContact NH1-OD2 3.5Å; R228-D487 PolarHBondContact NH1-OD2 3.37Å; R228-D487 IonicContact NH2-OD1 3.52Å; R228-D487 PolarHBondContact NH2-OD1 3.33Å; R228-D487 IonicContact NH2-OD2 2.79Å; R228-D487 PolarHBondContact NH2-OD2 2.6Å; D477-D487 CarbonylContact O-C 3.49Å; D477-D487 PolarHBondContact O-N 2.69Å; Y485-D487 HydrophobicContact CE1-CB 3.7Å; Y485-D487 HydrophobicContact CE2-CB 4.47Å; Y485-D487 WeakPolarHBondContact OH-CB 3.36Å; Y485-D487 PolarHBondContact OH-OD2 3.44Å; D487-A489 PolarHBondContact O-N 3.16Å; D487-A489 PolarHBondContact OD1-N 3.48Å; D487-C490 WeakPolarHBondContact O-CB 3.34Å; D487-C490 PolarHBondContact O-N 3.42Å
488	A	90.3	Very high	93.6	Very high	13 Å²	13	37.7 Å²	37.7	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-54.1	-24.9	175.5	0	0	0	0	0	114.5	C490 T491 L492	A488-C490 VanDerWaalsContact C-N 3.3Å; A488-C490 PolarHBondContact O-N 3.01Å; A488-T491 CarbonylContact O-C 3.57Å; A488-T491 PolarHBondContact O-N 3.12Å; A488-T491 VanDerWaalsContact O-N 3.08Å; A488-L492 PolarHBondContact O-N 3.14Å
489	A	91.6	Very high	93.7	Very high	6 Å²	6	37 Å²	37	5%	0.05	16%	0.162	C	C	.	.	H	α-helix	trans	-76.5	-15.1	178.3	0	0	0	0	0	114.5	W134 L229 D487 T491 G493 A494	W134-A489 HydrophobicContact CE3-CB 3.78Å; W134-A489 HydrophobicContact CH2-CB 3.22Å; W134-A489 HydrophobicContact CZ2-CB 4.22Å; W134-A489 HydrophobicContact CZ3-CB 2.96Å; L229-A489 HydrophobicContact CD1-CB 4.39Å; L229-A489 HydrophobicContact CD2-CB 3.3Å; L229-A489 HydrophobicContact CG-CB 4.47Å; D487-A489 PolarHBondContact O-N 3.16Å; D487-A489 PolarHBondContact OD1-N 3.48Å; A489-T491 PolarHBondContact O-N 2.87Å; A489-G493 VanDerWaalsContact O-CA 3.23Å; A489-G493 WeakPolarHBondContact O-CA 3.28Å; A489-G493 PolarHBondContact O-N 2.91Å; A489-A494 HydrophobicContact CB-CB 3.54Å
490	C	92.4	Very high	93.8	Very high	32 Å²	32	37.4 Å²	37.4	22%	0.216	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-28.4	165.1	-60.8	0	0	0	0	111.2	C479 D487 A488 L498	C479-C490 HydrophobicContact CB-CB 3.68Å; C479-C490 WeakPolarHBondContact CB-SG 3.39Å; C479-C490 WeakPolarHBondContact SG-CB 3.26Å; C479-C490 CovalentContact SG-SG 2.02Å; C479-C490 PolarHBondContact SG-SG 3.34Å; D487-C490 WeakPolarHBondContact O-CB 3.34Å; D487-C490 PolarHBondContact O-N 3.42Å; A488-C490 VanDerWaalsContact C-N 3.3Å; A488-C490 PolarHBondContact O-N 3.01Å; C490-L498 VanDerWaalsContact O-CD2 3.22Å; C490-L498 WeakPolarHBondContact O-CD2 3.43Å
491	T	92.6	Very high	93.9	Very high	6 Å²	6	36 Å²	36	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-94.6	-41.9	176.3	-61.3	0	0	0	0	112.9	P471 A488 A489 L498 K502	P471-T491 HydrophobicContact CG-CG2 3.39Å; A488-T491 CarbonylContact O-C 3.57Å; A488-T491 PolarHBondContact O-N 3.12Å; A488-T491 VanDerWaalsContact O-N 3.08Å; A489-T491 PolarHBondContact O-N 2.87Å; T491-L498 WeakPolarHBondContact O-CD2 3.4Å; T491-K502 WeakPolarHBondContact O-CE 3.44Å; T491-K502 PolarHBondContact O-NZ 3.07Å
492	L	91.9	Very high	93.9	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-103.4	-9.3	-169.2	-62.5	179.2	0	0	0	114	V211 L215 L225 L229 A488	V211-L492 HydrophobicContact CG1-CD2 3.79Å; L215-L492 HydrophobicContact CD1-CD2 4.22Å; L225-L492 HydrophobicContact CD2-CB 3.88Å; L225-L492 HydrophobicContact CD2-CD1 4.23Å; L229-L492 HydrophobicContact CD1-CB 3.85Å; L229-L492 HydrophobicContact CD1-CD1 4.18Å; A488-L492 PolarHBondContact O-N 3.14Å
493	G	91.4	Very high	93.8	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.031	15%	0.153	C	C	.	.			trans	93.3	138.8	179.5	0	0	0	0	0	113.8	A489	A489-G493 VanDerWaalsContact O-CA 3.23Å; A489-G493 WeakPolarHBondContact O-CA 3.28Å; A489-G493 PolarHBondContact O-N 2.91Å
494	A	91.5	Very high	94	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	14%	0.142	C	C	.	.	S	Bend	trans	-131.9	-72.3	165.3	0	0	0	0	0	108.7	W134 A232 Y236 Q443 A489	W134-A494 HydrophobicContact CD2-CB 4.21Å; W134-A494 HydrophobicContact CE3-CB 4.43Å; W134-A494 HydrophobicContact CH2-CB 4.25Å; W134-A494 HydrophobicContact CZ2-CB 4.08Å; W134-A494 HydrophobicContact CZ3-CB 4.44Å; A232-A494 HydrophobicContact CB-CB 4.39Å; Y236-A494 VanDerWaalsContact CD2-O 3.24Å; Y236-A494 WeakPolarHBondContact CD2-O 3.34Å; Y236-A494 HydrophobicContact CE2-CB 4.29Å; Q443-A494 PolarHBondContact NE2-O 3.19Å; A489-A494 HydrophobicContact CB-CB 3.54Å
495	Y	94.3	Very high	94.3	Very high	30 Å²	30	21 Å²	21	12%	0.118	10%	0.098	C	C	.	.	S	Bend	trans	-67.7	-57	176.6	178.7	-88.5	0	0	0	111.8	Y236 H242 Q443 N445 P446	Y236-Y495 HydrophobicContact CD1-CD2 4.17Å; Y236-Y495 AromaticContact CE1-CD2 3.59Å; Y236-Y495 HydrophobicContact CE1-CD2 3.59Å; Y236-Y495 HydrophobicContact CE1-CE2 4.39Å; Y236-Y495 HydrophobicContact CE1-CG 4.44Å; Y236-Y495 AromaticContact CZ-CD2 3.93Å; H242-Y495 PolarHBondContact NE2-OH 3.49Å; Q443-Y495 WeakPolarHBondContact CB-O 3.32Å; N445-Y495 HydrophobicContact CB-CD1 3.99Å; N445-Y495 HydrophobicContact CB-CE1 3.68Å; N445-Y495 HydrophobicContact CB-CE2 4.29Å; N445-Y495 HydrophobicContact CB-CG 4.42Å; N445-Y495 VanDerWaalsContact CB-O 3.27Å; N445-Y495 WeakPolarHBondContact CB-O 3.34Å; N445-Y495 PolarHBondContact ND2-O 3.41Å; P446-Y495 HydrophobicContact CG-CE1 4.27Å
496	H	97.3	Very high	94.5	Very high	40 Å²	40	18.2 Å²	18.2	19%	0.185	9%	0.088	C	C	.	.	S	Bend	trans	-77.3	152.8	178.7	-59.4	-67.4	0	0	0	111.7	P446 L498	P446-H496 PolarHBondContact O-ND1 3.01Å; H496-L498 HydrophobicContact CB-CB 4.44Å; H496-L498 PolarHBondContact O-N 2.91Å
497	P	97.3	Very high	94.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.			trans	-73.3	41.4	171.6	34.1	-36.8	0	0	0	113.2	I434 I442 L499 Y500 E501	I434-P497 HydrophobicContact CD1-CG 4.2Å; I442-P497 HydrophobicContact CB-CB 3.97Å; I442-P497 HydrophobicContact CD1-CB 3.92Å; I442-P497 HydrophobicContact CD1-CG 4.16Å; I442-P497 HydrophobicContact CG1-CB 4.18Å; P497-L499 VanDerWaalsContact C-N 3.3Å; P497-L499 PolarHBondContact O-N 2.64Å; P497-Y500 HydrophobicContact CB-CD2 4.14Å; P497-Y500 WeakPolarHBondContact O-CB 3.39Å; P497-Y500 PolarHBondContact O-N 3Å; P497-E501 HydrophobicContact CG-CG 4.48Å; P497-E501 WeakPolarHBondContact O-CG 3.32Å; P497-E501 PolarHBondContact O-N 3.11Å
498	L	96.5	Very high	95	Very high	16 Å²	16	13.8 Å²	13.8	8%	0.084	7%	0.069	C	C	.	.	H	α-helix	trans	-59.2	-35.2	-167.2	-172.2	64.3	0	0	0	113.6	Y469 C490 T491 H496 Y500 E501 K502	Y469-L498 HydrophobicContact CE2-CD1 3.92Å; C490-L498 VanDerWaalsContact O-CD2 3.22Å; C490-L498 WeakPolarHBondContact O-CD2 3.43Å; T491-L498 WeakPolarHBondContact O-CD2 3.4Å; H496-L498 HydrophobicContact CB-CB 4.44Å; H496-L498 PolarHBondContact O-N 2.91Å; L498-Y500 VanDerWaalsContact C-N 3.32Å; L498-Y500 PolarHBondContact O-N 3.44Å; L498-E501 WeakPolarHBondContact CD1-OE2 3.14Å; L498-E501 PolarHBondContact O-N 3.28Å; L498-K502 WeakPolarHBondContact O-CG 3.32Å; L498-K502 PolarHBondContact O-N 2.89Å
499	L	95.6	Very high	95.4	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	7%	0.071	C	C	.	.	H	α-helix	trans	-57.1	-47.7	174	-178.2	68.7	0	0	0	111.4	V211 L215 A220 L225 P497 K502 I503	V211-L499 HydrophobicContact CG1-CD1 4.43Å; L215-L499 HydrophobicContact CD2-CD1 4.05Å; A220-L499 HydrophobicContact CB-CD1 4.03Å; L225-L499 HydrophobicContact CD1-CD2 4.16Å; L225-L499 HydrophobicContact CD2-CD1 4.41Å; L225-L499 HydrophobicContact CD2-CD2 4.2Å; L225-L499 HydrophobicContact CG-CD2 4.18Å; P497-L499 VanDerWaalsContact C-N 3.3Å; P497-L499 PolarHBondContact O-N 2.64Å; L499-K502 PolarHBondContact O-N 3.32Å; L499-I503 HydrophobicContact CG-CD1 4.24Å; L499-I503 WeakPolarHBondContact O-CG1 3.46Å; L499-I503 PolarHBondContact O-N 3.47Å; L499-I503 VanDerWaalsContact O-N 3.14Å
500	Y	96.1	Very high	95.7	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.035	10%	0.096	C	C	.	.	H	α-helix	trans	-72.4	-37.8	-176.8	-57.8	-72.1	0	0	0	111.5	A222 M233 T438 E440 I442 P497 L498 K502 I503 L504	A222-Y500 WeakPolarHBondContact CB-OH 3.23Å; M233-Y500 HydrophobicContact CE-CE2 3.83Å; M233-Y500 WeakPolarHBondContact CE-OH 3.5Å; T438-Y500 HydrophobicContact CG2-CD1 3.36Å; T438-Y500 HydrophobicContact CG2-CE1 3.43Å; T438-Y500 VanDerWaalsContact CG2-CE1 3.43Å; T438-Y500 HydrophobicContact CG2-CG 4.14Å; E440-Y500 PolarHBondContact OE2-OH 2.91Å; I442-Y500 HydrophobicContact CB-CD2 3.87Å; I442-Y500 HydrophobicContact CB-CE2 4.03Å; I442-Y500 HydrophobicContact CG2-CD1 4.16Å; I442-Y500 HydrophobicContact CG2-CD2 3.42Å; I442-Y500 VanDerWaalsContact CG2-CD2 3.42Å; I442-Y500 HydrophobicContact CG2-CE1 4.34Å; I442-Y500 HydrophobicContact CG2-CE2 3.63Å; I442-Y500 HydrophobicContact CG2-CG 3.68Å; P497-Y500 HydrophobicContact CB-CD2 4.14Å; P497-Y500 WeakPolarHBondContact O-CB 3.39Å; P497-Y500 PolarHBondContact O-N 3Å; L498-Y500 VanDerWaalsContact C-N 3.32Å; L498-Y500 PolarHBondContact O-N 3.44Å; Y500-K502 VanDerWaalsContact C-N 3.33Å; Y500-K502 PolarHBondContact O-N 3.49Å; Y500-I503 HydrophobicContact CD1-CD1 4.39Å; Y500-I503 PolarHBondContact O-N 3.49Å; Y500-L504 PolarHBondContact O-N 2.93Å
501	E	98.1	Very high	95.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55.6	-48.5	171.5	-61.6	167.1	-158.4	0	0	111.2	I434 P447 S448 F451 Y469 P497 L498 I503 L504 I505	I434-E501 HydrophobicContact CD1-CG 3.55Å; I434-E501 HydrophobicContact CG1-CG 4.34Å; P447-E501 WeakPolarHBondContact CA-OE1 3.41Å; S448-E501 VanDerWaalsContact CB-OE2 3.27Å; S448-E501 WeakPolarHBondContact CB-OE2 3.46Å; S448-E501 PolarHBondContact N-OE1 3.11Å; S448-E501 PolarHBondContact OG-OE2 3.47Å; F451-E501 HydrophobicContact CB-CB 4.27Å; F451-E501 HydrophobicContact CB-CG 3.99Å; F451-E501 WeakPolarHBondContact CB-OE2 3.34Å; F451-E501 HydrophobicContact CD2-CB 3.68Å; F451-E501 HydrophobicContact CD2-CG 3.97Å; F451-E501 HydrophobicContact CE2-CB 4.25Å; F451-E501 HydrophobicContact CG-CB 4.14Å; F451-E501 HydrophobicContact CG-CG 3.94Å; Y469-E501 WeakPolarHBondContact OH-CB 3.35Å; Y469-E501 PolarHBondContact OH-OE2 3.07Å; P497-E501 HydrophobicContact CG-CG 4.48Å; P497-E501 WeakPolarHBondContact O-CG 3.32Å; P497-E501 PolarHBondContact O-N 3.11Å; L498-E501 WeakPolarHBondContact CD1-OE2 3.14Å; L498-E501 PolarHBondContact O-N 3.28Å; E501-I503 VanDerWaalsContact C-N 3.33Å; E501-I503 PolarHBondContact O-N 3.09Å; E501-L504 PolarHBondContact O-N 3.29Å; E501-L504 VanDerWaalsContact O-N 3.15Å; E501-I505 WeakPolarHBondContact O-CG1 3.49Å; E501-I505 PolarHBondContact O-N 2.89Å
502	K	97.7	Very high	96	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.035	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-37.9	177.7	-71	179.4	-173.5	-154.7	0	113	L215 Y469 I470 T491 L498 L499 Y500 L504 I505 Q506	L215-K502 HydrophobicContact CD1-CD 4.34Å; L215-K502 HydrophobicContact CD2-CB 4.02Å; Y469-K502 HydrophobicContact CD1-CG 3.95Å; Y469-K502 HydrophobicContact CE1-CB 4.39Å; Y469-K502 HydrophobicContact CE1-CG 3.61Å; Y469-K502 WeakPolarHBondContact O-CD 3.3Å; Y469-K502 WeakPolarHBondContact O-CE 3.32Å; Y469-K502 PolarHBondContact O-NZ 3.13Å; I470-K502 HydrophobicContact CG1-CB 4.36Å; T491-K502 WeakPolarHBondContact O-CE 3.44Å; T491-K502 PolarHBondContact O-NZ 3.07Å; L498-K502 WeakPolarHBondContact O-CG 3.32Å; L498-K502 PolarHBondContact O-N 2.89Å; L499-K502 PolarHBondContact O-N 3.32Å; Y500-K502 VanDerWaalsContact C-N 3.33Å; Y500-K502 PolarHBondContact O-N 3.49Å; K502-L504 VanDerWaalsContact C-N 3.32Å; K502-I505 PolarHBondContact O-N 3.23Å; K502-Q506 WeakPolarHBondContact O-CB 3.26Å; K502-Q506 PolarHBondContact O-N 2.85Å
503	I	95.6	Very high	96	Very high	20 Å²	20	25.6 Å²	25.6	10%	0.103	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-41.3	175.6	-68.1	162.9	0	0	0	110.6	L215 A220 L499 Y500 E501 Q506 R507	L215-I503 HydrophobicContact CD2-CG1 4.04Å; A220-I503 HydrophobicContact CB-CD1 4.17Å; A220-I503 HydrophobicContact CB-CG1 4.3Å; A220-I503 WeakPolarHBondContact O-CD1 3.37Å; L499-I503 HydrophobicContact CG-CD1 4.24Å; L499-I503 WeakPolarHBondContact O-CG1 3.46Å; L499-I503 PolarHBondContact O-N 3.47Å; L499-I503 VanDerWaalsContact O-N 3.14Å; Y500-I503 HydrophobicContact CD1-CD1 4.39Å; Y500-I503 PolarHBondContact O-N 3.49Å; E501-I503 VanDerWaalsContact C-N 3.33Å; E501-I503 PolarHBondContact O-N 3.09Å; I503-Q506 PolarHBondContact O-N 3.47Å; I503-R507 PolarHBondContact O-N 3.42Å
504	L	96.5	Very high	96.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-67	-46.5	176.5	-65.2	-164.3	0	0	0	112.2	L259 M263 V433 I434 N437 Y500 E501 K502 Q506 R507 I508	L259-L504 HydrophobicContact CD2-CB 4.36Å; L259-L504 HydrophobicContact CD2-CD2 3.97Å; M263-L504 HydrophobicContact CE-CB 3.97Å; M263-L504 HydrophobicContact CE-CD1 4.05Å; V433-L504 HydrophobicContact CG1-CD1 4.29Å; I434-L504 HydrophobicContact CB-CD1 4.35Å; I434-L504 HydrophobicContact CG1-CD1 4.15Å; N437-L504 HydrophobicContact CB-CD1 4.16Å; N437-L504 HydrophobicContact CB-CD2 3.59Å; Y500-L504 PolarHBondContact O-N 2.93Å; E501-L504 PolarHBondContact O-N 3.29Å; E501-L504 VanDerWaalsContact O-N 3.15Å; K502-L504 VanDerWaalsContact C-N 3.32Å; L504-Q506 PolarHBondContact O-N 3.45Å; L504-R507 WeakPolarHBondContact O-CB 3.44Å; L504-R507 PolarHBondContact O-N 2.92Å; L504-I508 WeakPolarHBondContact O-CG1 3.44Å; L504-I508 PolarHBondContact O-N 3.28Å
505	I	98	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-39.6	176.1	-64.6	-50.4	0	0	0	110.8	F451 I454 Y469 I470 E501 K502 R507 I508 N509 A522 L524	F451-I505 HydrophobicContact CD2-CD1 4.08Å; F451-I505 HydrophobicContact CD2-CG1 4.16Å; F451-I505 HydrophobicContact CE2-CD1 3.89Å; F451-I505 HydrophobicContact CE2-CG1 4.21Å; I454-I505 HydrophobicContact CB-CD1 4.5Å; I454-I505 HydrophobicContact CD1-CD1 4.11Å; I454-I505 HydrophobicContact CD1-CG1 4Å; I454-I505 HydrophobicContact CG2-CD1 3.77Å; Y469-I505 HydrophobicContact CD1-CB 4.31Å; Y469-I505 HydrophobicContact CD1-CG1 4.13Å; Y469-I505 HydrophobicContact CD1-CG2 4.24Å; Y469-I505 HydrophobicContact CE1-CB 4.17Å; Y469-I505 HydrophobicContact CE1-CG1 3.67Å; I470-I505 HydrophobicContact CD1-CG2 4.17Å; E501-I505 WeakPolarHBondContact O-CG1 3.49Å; E501-I505 PolarHBondContact O-N 2.89Å; K502-I505 PolarHBondContact O-N 3.23Å; I505-R507 VanDerWaalsContact C-N 3.34Å; I505-R507 PolarHBondContact O-N 3.45Å; I505-I508 HydrophobicContact CD1-CD1 4.34Å; I505-I508 WeakPolarHBondContact O-CG1 3.38Å; I505-I508 PolarHBondContact O-N 3.5Å; I505-N509 PolarHBondContact O-N 3.05Å; I505-N509 VanDerWaalsContact O-N 3.1Å; I505-A522 HydrophobicContact CG2-CB 4.25Å; I505-L524 HydrophobicContact CD1-CD1 4.23Å; I505-L524 HydrophobicContact CG2-CD1 4.23Å; I505-L524 HydrophobicContact CG2-CD2 4.32Å
506	Q	96.8	Very high	96.5	Very high	20 Å²	20	27.8 Å²	27.8	9%	0.093	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-39.8	174.9	-175.2	60.8	6.2	0	0	112.4	L215 W216 I470 K502 I503 L504 I508 N509	L215-Q506 WeakPolarHBondContact O-CG 3.42Å; W216-Q506 PolarHBondContact O-NE2 2.83Å; I470-Q506 HydrophobicContact CD1-CB 3.7Å; I470-Q506 HydrophobicContact CD1-CG 4.44Å; K502-Q506 WeakPolarHBondContact O-CB 3.26Å; K502-Q506 PolarHBondContact O-N 2.85Å; I503-Q506 PolarHBondContact O-N 3.47Å; L504-Q506 PolarHBondContact O-N 3.45Å; Q506-I508 PolarHBondContact O-N 3.39Å; Q506-N509 WeakPolarHBondContact O-CB 3.29Å; Q506-N509 PolarHBondContact O-N 2.83Å
507	R	96.3	Very high	96.3	Very high	71 Å²	71	31.6 Å²	31.6	27%	0.268	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-32.1	-178.9	-165.8	-175.9	-58.1	171.2	0.2	112.4	G252 A256 L259 N437 I503 L504 I505	G252-R507 PolarHBondContact O-NH1 3.32Å; G252-R507 PolarHBondContact O-NH2 3.48Å; A256-R507 VanDerWaalsContact CB-O 3.3Å; A256-R507 WeakPolarHBondContact CB-O 3Å; L259-R507 HydrophobicContact CD2-CB 4.21Å; L259-R507 HydrophobicContact CD2-CG 4.35Å; N437-R507 PolarHBondContact O-NH2 2.92Å; N437-R507 PolarHBondContact OD1-NH1 2.97Å; I503-R507 PolarHBondContact O-N 3.42Å; L504-R507 WeakPolarHBondContact O-CB 3.44Å; L504-R507 PolarHBondContact O-N 2.92Å; I505-R507 VanDerWaalsContact C-N 3.34Å; I505-R507 PolarHBondContact O-N 3.45Å
508	I	97.3	Very high	96.2	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	3.8	179.6	62.4	157.2	0	0	0	113.5	L259 L260 M263 M458 L504 I505 Q506 T510 L524	L259-I508 HydrophobicContact CB-CG2 4.26Å; L259-I508 HydrophobicContact CD2-CG2 3.72Å; L259-I508 HydrophobicContact CG-CG2 3.9Å; L260-I508 HydrophobicContact CD2-CB 3.99Å; L260-I508 HydrophobicContact CD2-CD1 3.94Å; L260-I508 HydrophobicContact CD2-CG2 4.04Å; L260-I508 HydrophobicContact CG-CB 4.11Å; L260-I508 HydrophobicContact CG-CG2 3.78Å; M263-I508 HydrophobicContact CE-CD1 4.48Å; M263-I508 HydrophobicContact SD-CD1 3.84Å; M458-I508 HydrophobicContact CE-CD1 3.88Å; M458-I508 HydrophobicContact SD-CD1 4.19Å; L504-I508 WeakPolarHBondContact O-CG1 3.44Å; L504-I508 PolarHBondContact O-N 3.28Å; I505-I508 HydrophobicContact CD1-CD1 4.34Å; I505-I508 WeakPolarHBondContact O-CG1 3.38Å; I505-I508 PolarHBondContact O-N 3.5Å; Q506-I508 PolarHBondContact O-N 3.39Å; I508-T510 PolarHBondContact O-N 2.94Å; I508-L524 HydrophobicContact CD1-CD1 4.28Å; I508-L524 HydrophobicContact CD1-CD2 3.96Å; I508-L524 HydrophobicContact CG1-CD2 3.83Å
509	N	98.1	Very high	96.2	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.144	21%	0.206	C	C	.	.			trans	-67.9	125.9	176	173.3	53.4	0	0	0	110.7	I505 Q506 G511 A522 T523 L524	I505-N509 PolarHBondContact O-N 3.05Å; I505-N509 VanDerWaalsContact O-N 3.1Å; Q506-N509 WeakPolarHBondContact O-CB 3.29Å; Q506-N509 PolarHBondContact O-N 2.83Å; N509-G511 PolarHBondContact ND2-O 3.42Å; N509-G511 PolarHBondContact OD1-N 2.84Å; N509-A522 HydrophobicContact CB-CB 4.44Å; N509-A522 WeakPolarHBondContact OD1-CA 3.4Å; N509-T523 PolarHBondContact OD1-N 2.86Å; N509-T523 PolarHBondContact OD1-O 3.37Å; N509-L524 HydrophobicContact CB-CD2 4.47Å
510	T	97.8	Very high	96.3	Very high	95 Å²	95	42.2 Å²	42.2	58%	0.583	21%	0.205	S	C	*	.			trans	-101.9	-9.4	176.7	59.2	0	0	0	0	112.7	I508 T523	I508-T510 PolarHBondContact O-N 2.94Å; T510-T523 PolarHBondContact N-O 2.87Å; T510-T523 PolarHBondContact OG1-O 3.31Å
511	G	97.1	Very high	96.5	Very high	13 Å²	13	43.4 Å²	43.4	13%	0.134	21%	0.209	C	C	.	.	S	Bend	trans	-78.5	157.8	177.7	0	0	0	0	0	112.7	N509	N509-G511 PolarHBondContact ND2-O 3.42Å; N509-G511 PolarHBondContact OD1-N 2.84Å
512	P	95.9	Very high	96.5	Very high	69 Å²	69	43.5 Å²	43.5	45%	0.448	21%	0.21	S	C	.	.			trans	-67.1	149.8	-179.5	30.2	-36.2	0	0	0	111.7	S514 D515	P512-S514 PolarHBondContact O-N 3.29Å; P512-S514 VanDerWaalsContact O-N 3.13Å; P512-D515 WeakPolarHBondContact CD-OD2 3.27Å; P512-D515 HydrophobicContact CG-CB 4.17Å; P512-D515 WeakPolarHBondContact CG-OD2 3.1Å; P512-D515 WeakPolarHBondContact O-CB 3.47Å; P512-D515 PolarHBondContact O-N 3.24Å
513	Q	92	Very high	96.5	Very high	107 Å²	107	43.6 Å²	43.6	50%	0.5	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-25.5	176.5	-73.5	-170.2	17.7	0	0	113.3	D515 L516 R517	Q513-D515 VanDerWaalsContact C-N 3.27Å; Q513-D515 PolarHBondContact O-N 3.5Å; Q513-L516 PolarHBondContact O-N 3.48Å; Q513-R517 WeakPolarHBondContact O-CG 3.29Å; Q513-R517 PolarHBondContact O-N 3.27Å
514	S	95	Very high	96.7	Very high	61 Å²	61	42.7 Å²	42.7	43%	0.427	21%	0.207	S	C	.	.	H	α-helix	trans	-61.5	-35.2	175.1	52.9	0	0	0	0	112.3	P512 R517 R518	P512-S514 PolarHBondContact O-N 3.29Å; P512-S514 VanDerWaalsContact O-N 3.13Å; S514-R517 PolarHBondContact O-N 2.9Å; S514-R518 VanDerWaalsContact O-CB 3.32Å; S514-R518 WeakPolarHBondContact O-CB 3.32Å; S514-R518 WeakPolarHBondContact O-CG 3.31Å; S514-R518 PolarHBondContact O-N 2.83Å
515	D	97.1	Very high	96.7	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-40.4	176.3	-77.6	-18.9	0	0	0	111.6	P512 Q513 K519 G520 R521	P512-D515 WeakPolarHBondContact CD-OD2 3.27Å; P512-D515 HydrophobicContact CG-CB 4.17Å; P512-D515 WeakPolarHBondContact CG-OD2 3.1Å; P512-D515 WeakPolarHBondContact O-CB 3.47Å; P512-D515 PolarHBondContact O-N 3.24Å; Q513-D515 VanDerWaalsContact C-N 3.27Å; Q513-D515 PolarHBondContact O-N 3.5Å; D515-K519 CarbonylContact O-C 3.43Å; D515-K519 VanDerWaalsContact O-CA 3.27Å; D515-K519 WeakPolarHBondContact O-CA 3.02Å; D515-K519 VanDerWaalsContact O-CB 3.26Å; D515-K519 WeakPolarHBondContact O-CB 3.49Å; D515-K519 PolarHBondContact O-N 3.48Å; D515-G520 PolarHBondContact O-N 3.42Å; D515-R521 HydrophobicContact CB-CB 4.43Å; D515-R521 PolarHBondContact O-N 2.9Å; D515-R521 IonicContact OD1-NH2 2.71Å; D515-R521 IonicContact OD2-CZ 3.77Å; D515-R521 IonicContact OD2-NE 3.81Å; D515-R521 IonicContact OD2-NH2 3.62Å; D515-R521 PolarHBondContact OD2-NH2 3.41Å
516	L	94.1	Very high	96.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-49.8	172.7	-68.5	168.5	0	0	0	110.8	I470 S472 Q513 G520 A522	I470-L516 HydrophobicContact CB-CD2 4.09Å; I470-L516 HydrophobicContact CD1-CD2 4.24Å; I470-L516 HydrophobicContact CG2-CD2 4.24Å; S472-L516 WeakPolarHBondContact CA-O 3.25Å; Q513-L516 PolarHBondContact O-N 3.48Å; L516-G520 WeakPolarHBondContact O-CA 3.34Å; L516-G520 PolarHBondContact O-N 3.36Å; L516-A522 HydrophobicContact CD2-CB 3.99Å
517	R	93.9	Very high	96.5	Very high	120 Å²	120	43.2 Å²	43.2	45%	0.453	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-45.5	-177.9	-72.1	-177.8	61.6	-155.2	-3.8	112.9	W216 S472 M473 Q513 S514	W216-R517 HydrophobicContact CD2-CG 3.87Å; W216-R517 HydrophobicContact CE3-CG 3.67Å; W216-R517 HydrophobicContact CH2-CG 4.07Å; W216-R517 HydrophobicContact CZ2-CG 4.22Å; W216-R517 HydrophobicContact CZ3-CG 3.78Å; S472-R517 WeakPolarHBondContact CB-O 3.35Å; M473-R517 HydrophobicContact CG-CB 4.4Å; M473-R517 VanDerWaalsContact CG-O 3.31Å; M473-R517 WeakPolarHBondContact CG-O 3.3Å; M473-R517 PolarHBondContact N-O 3.21Å; Q513-R517 WeakPolarHBondContact O-CG 3.29Å; Q513-R517 PolarHBondContact O-N 3.27Å; S514-R517 PolarHBondContact O-N 2.9Å
518	R	94.9	Very high	96.3	Very high	180 Å²	180	43.9 Å²	43.9	68%	0.679	23%	0.226	S	C	*	.	H	α-helix	trans	-91.2	-36.2	-172.3	-63	-177.7	77.1	177.3	4.7	112.9	M473 R474 S514	M473-R518 HydrophobicContact CE-CG 4.18Å; R474-R518 PolarHBondContact NH1-O 3.4Å; R474-R518 PolarHBondContact NH2-O 3.31Å; R474-R518 VanDerWaalsContact NH2-O 3.14Å; S514-R518 VanDerWaalsContact O-CB 3.32Å; S514-R518 WeakPolarHBondContact O-CB 3.32Å; S514-R518 WeakPolarHBondContact O-CG 3.31Å; S514-R518 PolarHBondContact O-N 2.83Å
519	K	97.4	Very high	96.1	Very high	61 Å²	61	47.4 Å²	47.4	27%	0.265	25%	0.248	S	C	.	.	H	α-helix	trans	-111.9	-13.5	-173.7	-55.8	-174.7	178	-171.2	0	113.4	L323 E326 R474 D515 R521	L323-K519 WeakPolarHBondContact CD1-O 3.48Å; L323-K519 HydrophobicContact CD2-CB 4.08Å; L323-K519 HydrophobicContact CD2-CD 4.19Å; L323-K519 HydrophobicContact CD2-CG 4.14Å; E326-K519 IonicContact OE2-NZ 2.73Å; E326-K519 PolarHBondContact OE2-NZ 2.83Å; R474-K519 PolarHBondContact NH2-O 2.82Å; D515-K519 CarbonylContact O-C 3.43Å; D515-K519 VanDerWaalsContact O-CA 3.27Å; D515-K519 WeakPolarHBondContact O-CA 3.02Å; D515-K519 VanDerWaalsContact O-CB 3.26Å; D515-K519 WeakPolarHBondContact O-CB 3.49Å; D515-K519 PolarHBondContact O-N 3.48Å; K519-R521 HydrophobicContact CB-CB 3.88Å; K519-R521 PolarHBondContact O-N 3.25Å
520	G	97.6	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.			trans	65.5	24.6	-170.7	0	0	0	0	0	111.3	Y467 E468 S472 D515 L516	Y467-G520 CarbonylContact C-O 3.57Å; E468-G520 PolarHBondContact N-O 2.78Å; S472-G520 VanDerWaalsContact CB-N 3.35Å; D515-G520 PolarHBondContact O-N 3.42Å; L516-G520 WeakPolarHBondContact O-CA 3.34Å; L516-G520 PolarHBondContact O-N 3.36Å
521	R	98.4	Very high	95.6	Very high	34 Å²	34	48.6 Å²	48.6	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117	-170.8	-173.1	-174.9	73.6	171.2	12.1	111.1	E326 H465 V466 Y467 D515 K519	E326-R521 VanDerWaalsContact OE1-CD 3.29Å; E326-R521 WeakPolarHBondContact OE1-CD 3.49Å; E326-R521 IonicContact OE1-CZ 3.8Å; E326-R521 IonicContact OE1-NE 2.89Å; E326-R521 IonicContact OE1-NH1 3.56Å; E326-R521 PolarHBondContact OE1-NH1 3.14Å; E326-R521 IonicContact OE2-NH1 2.66Å; H465-R521 HydrophobicContact CB-CG 4.12Å; V466-R521 VanDerWaalsContact O-CA 3.31Å; V466-R521 WeakPolarHBondContact O-CA 3.13Å; Y467-R521 HydrophobicContact CD1-CB 4.08Å; Y467-R521 HydrophobicContact CD1-CG 4.05Å; Y467-R521 HydrophobicContact CE1-CB 4.06Å; Y467-R521 HydrophobicContact CE1-CG 3.72Å; D515-R521 HydrophobicContact CB-CB 4.43Å; D515-R521 PolarHBondContact O-N 2.9Å; D515-R521 IonicContact OD1-NH2 2.71Å; D515-R521 IonicContact OD2-CZ 3.77Å; D515-R521 IonicContact OD2-NE 3.81Å; D515-R521 IonicContact OD2-NH2 3.62Å; D515-R521 PolarHBondContact OD2-NH2 3.41Å; K519-R521 HydrophobicContact CB-CB 3.88Å; K519-R521 PolarHBondContact O-N 3.25Å
522	A	98.6	Very high	95.4	Very high	2 Å²	2	49 Å²	49	2%	0.017	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	144.5	164.1	0	0	0	0	0	110.1	H465 V466 I505 N509 L516	H465-A522 CarbonylContact C-O 3.49Å; H465-A522 WeakPolarHBondContact CA-O 3.28Å; V466-A522 HydrophobicContact CB-CB 4.38Å; V466-A522 PolarHBondContact N-O 3.07Å; V466-A522 PolarHBondContact O-N 3.4Å; I505-A522 HydrophobicContact CG2-CB 4.25Å; N509-A522 HydrophobicContact CB-CB 4.44Å; N509-A522 WeakPolarHBondContact OD1-CA 3.4Å; L516-A522 HydrophobicContact CD2-CB 3.99Å
523	T	98.7	Very high	94.5	Very high	11 Å²	11	51.9 Å²	51.9	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.4	175.9	-55.8	0	0	0	0	109.7	Q463 H465 N509 T510	Q463-T523 HydrophobicContact CG-CG2 4.08Å; H465-T523 PolarHBondContact CD2-OG1 3.45Å; N509-T523 PolarHBondContact OD1-N 2.86Å; N509-T523 PolarHBondContact OD1-O 3.37Å; T510-T523 PolarHBondContact N-O 2.87Å; T510-T523 PolarHBondContact OG1-O 3.31Å
524	L	98.7	Very high	92.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.1	-173.8	-51.9	-178.6	0	0	0	110.5	I454 M458 V464 V466 I505 I508 N509	I454-L524 HydrophobicContact CG2-CD1 3.37Å; M458-L524 HydrophobicContact SD-CB 4.38Å; M458-L524 HydrophobicContact SD-CD1 4.02Å; V464-L524 HydrophobicContact CB-CB 4.38Å; V464-L524 PolarHBondContact N-O 2.92Å; V464-L524 PolarHBondContact O-N 2.88Å; V466-L524 HydrophobicContact CG2-CD1 3.72Å; V466-L524 HydrophobicContact CG2-CG 4.26Å; I505-L524 HydrophobicContact CD1-CD1 4.23Å; I505-L524 HydrophobicContact CG2-CD1 4.23Å; I505-L524 HydrophobicContact CG2-CD2 4.32Å; I508-L524 HydrophobicContact CD1-CD1 4.28Å; I508-L524 HydrophobicContact CD1-CD2 3.96Å; I508-L524 HydrophobicContact CG1-CD2 3.83Å; N509-L524 HydrophobicContact CB-CD2 4.47Å
525	P	97.6	Very high	92.7	Very high	19 Å²	19	57.6 Å²	57.6	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.7	172.1	31.3	-34.4	0	0	0	111.1	L260 M458 I530	L260-P525 HydrophobicContact CD1-CG 3.89Å; L260-P525 HydrophobicContact CD2-CG 3.96Å; M458-P525 WeakPolarHBondContact CE-O 3.38Å; P525-I530 HydrophobicContact CB-CD1 3.66Å; P525-I530 HydrophobicContact CB-CG1 4.44Å; P525-I530 HydrophobicContact CG-CD1 3.64Å; P525-I530 HydrophobicContact CG-CG1 4.42Å
526	G	95.6	Very high	92.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.298	C	S	.	.			trans	-67.3	151.7	169.3	0	0	0	0	0	113.3	M458 C461 E462 S528 T529	M458-G526 CarbonylContact O-C 3.53Å; M458-G526 WeakPolarHBondContact O-CA 3.2Å; C461-G526 WeakPolarHBondContact O-CA 3.37Å; E462-G526 WeakPolarHBondContact O-CA 3.36Å; E462-G526 PolarHBondContact O-N 3.06Å; G526-S528 PolarHBondContact O-N 2.96Å; G526-T529 PolarHBondContact O-N 3.44Å; G526-T529 PolarHBondContact O-OG1 3.05Å
527	F	94.1	Very high	92.4	Very high	13 Å²	13	62.8 Å²	62.8	6%	0.057	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-63.7	-26.8	176.9	-66.7	-35.4	0	0	0	113.3	M263 K264 L455 M458 A459 T529 I530	M263-F527 HydrophobicContact CB-CE1 3.92Å; M263-F527 HydrophobicContact CB-CZ 4.03Å; M263-F527 WeakPolarHBondContact O-CZ 3.34Å; K264-F527 HydrophobicContact CB-CB 4.42Å; K264-F527 HydrophobicContact CB-CD1 3.68Å; K264-F527 HydrophobicContact CB-CE1 4.06Å; K264-F527 HydrophobicContact CB-CG 4.06Å; K264-F527 HydrophobicContact CD-CB 4.15Å; K264-F527 WeakPolarHBondContact CE-O 3.41Å; K264-F527 HydrophobicContact CG-CB 4.05Å; K264-F527 HydrophobicContact CG-CD1 4.25Å; K264-F527 HydrophobicContact CG-CG 4.17Å; K264-F527 PolarHBondContact NZ-O 3.35Å; L455-F527 HydrophobicContact CD1-CE1 4.49Å; L455-F527 HydrophobicContact CD1-CE2 4.36Å; L455-F527 HydrophobicContact CD1-CZ 3.58Å; M458-F527 HydrophobicContact CB-CD1 4.37Å; M458-F527 HydrophobicContact CB-CD2 4.15Å; M458-F527 HydrophobicContact CB-CE1 4.2Å; M458-F527 HydrophobicContact CB-CE2 3.96Å; M458-F527 HydrophobicContact CB-CG 4.34Å; M458-F527 HydrophobicContact CB-CZ 3.99Å; M458-F527 HydrophobicContact CE-CD1 4.16Å; M458-F527 HydrophobicContact CE-CE1 3.63Å; M458-F527 HydrophobicContact CE-CZ 4.22Å; M458-F527 PolarHBondContact O-N 2.83Å; M458-F527 HydrophobicContact SD-CE1 4.46Å; M458-F527 HydrophobicContact SD-CZ 4.48Å; A459-F527 HydrophobicContact CB-CD2 3.91Å; A459-F527 HydrophobicContact CB-CE2 4.31Å; F527-T529 PolarHBondContact O-N 2.97Å; F527-I530 PolarHBondContact O-N 2.95Å
528	S	91.5	Very high	92.3	Very high	86 Å²	86	59.4 Å²	59.4	60%	0.601	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.8	-25	173.4	55.9	0	0	0	0	112.9	G526	G526-S528 PolarHBondContact O-N 2.96Å
529	T	93.5	Very high	92.1	Very high	77 Å²	77	51.9 Å²	51.9	47%	0.472	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-97.4	-3.7	-177.5	73.7	0	0	0	0	113.2	E462 G526 F527	E462-T529 HydrophobicContact CB-CG2 3.91Å; E462-T529 HydrophobicContact CG-CG2 4.37Å; E462-T529 WeakPolarHBondContact O-CG2 3.28Å; G526-T529 PolarHBondContact O-N 3.44Å; G526-T529 PolarHBondContact O-OG1 3.05Å; F527-T529 PolarHBondContact O-N 2.97Å
530	I	93.4	Very high	91.8	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.128	28%	0.284	C	S	.	.			trans	-94	121.2	179.5	-57.8	-50.9	0	0	0	110.7	L260 K264 P525 F527	L260-I530 HydrophobicContact CB-CG1 4.48Å; L260-I530 HydrophobicContact CB-CG2 4.32Å; L260-I530 HydrophobicContact CD1-CD1 4.01Å; K264-I530 HydrophobicContact CD-CB 4.45Å; K264-I530 PolarHBondContact NZ-O 3.06Å; P525-I530 HydrophobicContact CB-CD1 3.66Å; P525-I530 HydrophobicContact CB-CG1 4.44Å; P525-I530 HydrophobicContact CG-CD1 3.64Å; P525-I530 HydrophobicContact CG-CG1 4.42Å; F527-I530 PolarHBondContact O-N 2.95Å
531	N	92.8	Very high	91.4	Very high	122 Å²	122	54.9 Å²	54.9	65%	0.652	30%	0.304	S	S	*	.			trans	-90.3	119.6	168.5	-166.2	15.6	0	0	0	110.3	K257	K257-N531 WeakPolarHBondContact CE-O 3.33Å
532	C	92.4	Very high	90.8	Very high	22 Å²	22	56.5 Å²	56.5	15%	0.149	32%	0.318	C	S	.	.			trans	-110	124.1	175.1	-62.2	0	0	0	0	107.2	C261 I534	C261-C532 WeakPolarHBondContact CA-SG 3.41Å; C261-C532 HydrophobicContact CB-CB 3.87Å; C261-C532 WeakPolarHBondContact CB-SG 3.45Å; C261-C532 WeakPolarHBondContact SG-CA 3.37Å; C261-C532 WeakPolarHBondContact SG-CB 3.21Å; C261-C532 CovalentContact SG-SG 2.04Å; C261-C532 PolarHBondContact SG-SG 3.13Å; C532-I534 VanDerWaalsContact C-N 3.34Å; C532-I534 HydrophobicContact CB-CG1 4.47Å; C532-I534 PolarHBondContact O-N 3.39Å
533	D	78.1	Confident	90.2	Very high	129 Å²	129	61.1 Å²	61.1	69%	0.69	34%	0.343	S	S	*	.			trans	-69.9	98.8	170.3	-50.7	-59.2	0	0	0	105.2	K257	K257-D533 IonicContact NZ-OD2 3.44Å; K257-D533 PolarHBondContact NZ-OD2 2.81Å
534	I	55.7	Low	89.4	Confident	229 Å²	229	65.6 Å²	65.6	100%	1.174	37%	0.368	S	S	*	.			trans	-81.4	0	179.7	-62	176.1	0	0	0	109	C532	C532-I534 VanDerWaalsContact C-N 3.34Å; C532-I534 HydrophobicContact CB-CG1 4.47Å; C532-I534 PolarHBondContact O-N 3.39Å

Retrieved 534 of 534 residues in 86.2 ms (Link to these results)

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