A0A2K5PD81_CEBIM Loading...

Kelch-like protein 14

AlphaFold DB , UniProt , Accession A0A2K5PD81, Species CEBIM (Cebus imitator, Panamanian white-faced capuchin), Gene KLHL14, Length 629 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	45.9	Very low	61.7	Low	251 Å²	251	161.5 Å²	161.5	100%	1.236	87%	0.87	S	S	*	*				0	132.2	0	-57.9	-179.7	-176	0	0	105.8
2	S	43.8	Very low	64	Low	123 Å²	123	155.8 Å²	155.8	86%	0.86	84%	0.839	S	S	*	*			cis	-116	171.8	31.8	50.8	0	0	0	0	114.6
3	R	48.3	Very low	65.8	Low	245 Å²	245	150.2 Å²	150.2	93%	0.925	82%	0.816	S	S	*	*			trans	-91	125.6	-177.5	-65.5	170.9	172.3	165.1	-5	110.9	G5	R3-G5 PolarHBondContact O-N 3.09Å
4	S	52	Low	67.6	Low	120 Å²	120	143 Å²	143	84%	0.839	78%	0.782	S	S	*	*			trans	-74.6	96.1	151.3	51	0	0	0	0	107.6	D6	S4-D6 PolarHBondContact O-N 3.23Å
5	G	52.7	Low	69.2	Low	62 Å²	62	141.3 Å²	141.3	64%	0.639	77%	0.766	S	S	*	*			trans	-71.8	124	-179.3	0	0	0	0	0	111.4	R3 R7	R3-G5 PolarHBondContact O-N 3.09Å; G5-R7 PolarHBondContact O-N 2.83Å
6	D	58.9	Low	70.5	Confident	157 Å²	157	137 Å²	137	84%	0.84	75%	0.75	S	S	*	*			trans	-55.6	118.1	170.2	-67.2	-53.5	0	0	0	110.1	S4 T8	S4-D6 PolarHBondContact O-N 3.23Å; D6-T8 PolarHBondContact O-N 2.89Å
7	R	65.9	Low	71.6	Confident	246 Å²	246	135.5 Å²	135.5	93%	0.928	74%	0.741	S	S	*	*			trans	-90.5	94.8	172	-72.9	-173.2	175.9	-171.7	-1.1	109.1	G5	G5-R7 PolarHBondContact O-N 2.83Å
8	T	67.4	Low	72.8	Confident	131 Å²	131	133.9 Å²	133.9	80%	0.804	73%	0.732	S	S	*	*			trans	-79	128.1	165.7	44.8	0	0	0	0	109.7	D6	D6-T8 PolarHBondContact O-N 2.89Å
9	S	76.4	Confident	73.9	Confident	124 Å²	124	131.8 Å²	131.8	87%	0.867	72%	0.719	S	S	*	*			trans	-102.3	132.2	172.2	-173.5	0	0	0	0	109
10	T	82	Confident	74.9	Confident	136 Å²	136	127.5 Å²	127.5	83%	0.834	70%	0.695	S	S	*	*			trans	-116.2	145.7	176.2	50.1	0	0	0	0	110
11	F	85.1	Confident	75.8	Confident	182 Å²	182	127.7 Å²	127.7	80%	0.798	69%	0.691	S	S	*	*			trans	-123.3	124.5	-176.9	176.2	-104.3	0	0	0	109.7	P13	F11-P13 HydrophobicContact CD1-CB 4.47Å; F11-P13 HydrophobicContact CE1-CB 3.83Å
12	D	89.7	Confident	78.1	Confident	92 Å²	92	117.2 Å²	117.2	49%	0.492	65%	0.647	S	S	.	*			trans	-101.4	106.2	171.7	175.7	9.5	0	0	0	109.2	S14	D12-S14 PolarHBondContact O-N 3.34Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-N 3.24Å; D12-S14 PolarHBondContact OD1-OG 2.6Å; D12-S14 PolarHBondContact OD2-OG 3.3Å
13	P	87.1	Confident	80.5	Confident	83 Å²	83	113.6 Å²	113.6	54%	0.539	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-25.6	178.2	26.9	-33.6	0	0	0	112.8	F11 H15 S16	F11-P13 HydrophobicContact CD1-CB 4.47Å; F11-P13 HydrophobicContact CE1-CB 3.83Å; P13-H15 VanDerWaalsContact C-N 3.27Å; P13-H15 PolarHBondContact O-N 3.4Å; P13-S16 PolarHBondContact O-OG 2.92Å
14	S	91.2	Very high	82.7	Confident	50 Å²	50	102.8 Å²	102.8	35%	0.35	58%	0.579	S	S	.	*	H	α-helix	trans	-75.7	-16.1	-174.7	76.6	0	0	0	0	113.4	D12 S16 D17 N18	D12-S14 PolarHBondContact O-N 3.34Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-N 3.24Å; D12-S14 PolarHBondContact OD1-OG 2.6Å; D12-S14 PolarHBondContact OD2-OG 3.3Å; S14-S16 VanDerWaalsContact C-N 3.3Å; S14-S16 PolarHBondContact O-N 2.94Å; S14-D17 PolarHBondContact O-N 3.17Å; S14-N18 WeakPolarHBondContact O-CB 3.42Å; S14-N18 PolarHBondContact O-N 3.21Å; S14-N18 VanDerWaalsContact O-N 3.08Å; S14-N18 PolarHBondContact O-ND2 2.65Å
15	H	92.3	Very high	84.7	Confident	117 Å²	117	101 Å²	101	54%	0.542	56%	0.559	S	S	.	*	H	α-helix	trans	-60.7	-38.1	-178.4	-177	68.8	0	0	0	112.6	P13 L19	P13-H15 VanDerWaalsContact C-N 3.27Å; P13-H15 PolarHBondContact O-N 3.4Å; H15-L19 VanDerWaalsContact O-CB 3.26Å; H15-L19 WeakPolarHBondContact O-CB 3.44Å; H15-L19 PolarHBondContact O-N 3.06Å
16	S	89	Confident	86.7	Confident	73 Å²	73	100.6 Å²	100.6	51%	0.51	54%	0.542	S	S	.	.	H	α-helix	trans	-66.1	-42.9	-179.9	51	0	0	0	0	112.6	P13 S14 L19 L20	P13-S16 PolarHBondContact O-OG 2.92Å; S14-S16 VanDerWaalsContact C-N 3.3Å; S14-S16 PolarHBondContact O-N 2.94Å; S16-L19 PolarHBondContact O-N 3.13Å; S16-L20 WeakPolarHBondContact O-CB 3.43Å; S16-L20 PolarHBondContact O-N 3.3Å
17	D	90.2	Very high	88.4	Confident	112 Å²	112	95 Å²	95	60%	0.599	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-43.1	179.9	-61.3	-28.9	0	0	0	110.9	S14 L19 L20 H21	S14-D17 PolarHBondContact O-N 3.17Å; D17-L19 PolarHBondContact O-N 3.34Å; D17-L20 PolarHBondContact O-N 3.37Å; D17-H21 VanDerWaalsContact O-CB 3.32Å; D17-H21 WeakPolarHBondContact O-CB 3.35Å; D17-H21 PolarHBondContact O-N 3.01Å
18	N	92.4	Very high	89.7	Confident	106 Å²	106	91.9 Å²	91.9	57%	0.567	50%	0.497	S	S	*	.	H	α-helix	trans	-62.7	-41.1	175.9	-74.9	-44.7	0	0	0	112.1	S14 G22	S14-N18 WeakPolarHBondContact O-CB 3.42Å; S14-N18 PolarHBondContact O-N 3.21Å; S14-N18 VanDerWaalsContact O-N 3.08Å; S14-N18 PolarHBondContact O-ND2 2.65Å; N18-G22 PolarHBondContact O-N 2.87Å
19	L	93.5	Very high	91	Very high	94 Å²	94	91.9 Å²	91.9	49%	0.492	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-47.4	175.6	177.3	61.1	0	0	0	111.5	H15 S16 D17 H21 G22 L23	H15-L19 VanDerWaalsContact O-CB 3.26Å; H15-L19 WeakPolarHBondContact O-CB 3.44Å; H15-L19 PolarHBondContact O-N 3.06Å; S16-L19 PolarHBondContact O-N 3.13Å; D17-L19 PolarHBondContact O-N 3.34Å; L19-H21 PolarHBondContact O-N 3.43Å; L19-G22 PolarHBondContact O-N 3.46Å; L19-L23 HydrophobicContact CD1-CD1 4.39Å; L19-L23 HydrophobicContact CD1-CG 4.44Å; L19-L23 HydrophobicContact CG-CD1 4.24Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.89Å
20	L	93.9	Very high	91.7	Very high	46 Å²	46	91.8 Å²	91.8	24%	0.241	47%	0.472	C	S	.	.	H	α-helix	trans	-63.1	-42.1	178.7	-176.2	61.8	0	0	0	111.7	S16 D17 G22 L23 N24 A146	S16-L20 WeakPolarHBondContact O-CB 3.43Å; S16-L20 PolarHBondContact O-N 3.3Å; D17-L20 PolarHBondContact O-N 3.37Å; L20-G22 VanDerWaalsContact C-N 3.33Å; L20-G22 PolarHBondContact O-N 2.78Å; L20-L23 PolarHBondContact O-N 2.92Å; L20-N24 WeakPolarHBondContact O-CB 3.48Å; L20-N24 PolarHBondContact O-N 2.91Å; L20-A146 HydrophobicContact CD2-CB 3.64Å
21	H	93.3	Very high	92.1	Very high	132 Å²	132	89.1 Å²	89.1	61%	0.611	45%	0.452	S	S	*	.	H	α-helix	trans	-59.7	-42.6	173.6	-175.7	84.6	0	0	0	112.1	D17 L19 N24 L25	D17-H21 VanDerWaalsContact O-CB 3.32Å; D17-H21 WeakPolarHBondContact O-CB 3.35Å; D17-H21 PolarHBondContact O-N 3.01Å; L19-H21 PolarHBondContact O-N 3.43Å; H21-N24 WeakPolarHBondContact O-CB 3.39Å; H21-N24 PolarHBondContact O-N 2.84Å; H21-L25 PolarHBondContact O-N 2.92Å
22	G	94.3	Very high	92.4	Very high	30 Å²	30	88.3 Å²	88.3	31%	0.309	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-49.1	173.8	0	0	0	0	0	112.6	N18 L19 L20 N24 L25 L26	N18-G22 PolarHBondContact O-N 2.87Å; L19-G22 PolarHBondContact O-N 3.46Å; L20-G22 VanDerWaalsContact C-N 3.33Å; L20-G22 PolarHBondContact O-N 2.78Å; G22-N24 VanDerWaalsContact C-N 3.3Å; G22-N24 PolarHBondContact O-N 3.16Å; G22-L25 PolarHBondContact O-N 3.16Å; G22-L26 WeakPolarHBondContact O-CG 3.35Å; G22-L26 PolarHBondContact O-N 2.81Å; G22-L26 VanDerWaalsContact O-N 3.07Å
23	L	94.6	Very high	92.4	Very high	48 Å²	48	85.5 Å²	85.5	25%	0.251	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-38.7	176.8	-68.9	170.6	0	0	0	112.1	L19 L20 L26 W27 V50 Y144	L19-L23 HydrophobicContact CD1-CD1 4.39Å; L19-L23 HydrophobicContact CD1-CG 4.44Å; L19-L23 HydrophobicContact CG-CD1 4.24Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.89Å; L20-L23 PolarHBondContact O-N 2.92Å; L23-L26 PolarHBondContact O-N 3.04Å; L23-W27 WeakPolarHBondContact O-CB 3.42Å; L23-W27 PolarHBondContact O-N 3.19Å; L23-V50 HydrophobicContact CD1-CG2 4.08Å; L23-V50 HydrophobicContact CD2-CG2 3.95Å; L23-V50 HydrophobicContact CG-CG2 4.49Å; L23-Y144 HydrophobicContact CB-CD1 4.27Å
24	N	94.5	Very high	92.7	Very high	18 Å²	18	85 Å²	85	10%	0.096	43%	0.428	C	S	.	.	H	α-helix	trans	-59.7	-47.6	174	-164.5	-78.2	0	0	0	112.3	L20 H21 G22 L26 W27 R28 Y144 T145	L20-N24 WeakPolarHBondContact O-CB 3.48Å; L20-N24 PolarHBondContact O-N 2.91Å; H21-N24 WeakPolarHBondContact O-CB 3.39Å; H21-N24 PolarHBondContact O-N 2.84Å; G22-N24 VanDerWaalsContact C-N 3.3Å; G22-N24 PolarHBondContact O-N 3.16Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.36Å; N24-W27 PolarHBondContact O-N 2.89Å; N24-R28 WeakPolarHBondContact O-CG 3.31Å; N24-R28 PolarHBondContact O-N 3.22Å; N24-R28 VanDerWaalsContact OD1-CD 3.23Å; N24-R28 WeakPolarHBondContact OD1-CD 3.19Å; N24-R28 PolarHBondContact OD1-NE 3.08Å; N24-Y144 WeakPolarHBondContact CB-O 3.29Å; N24-Y144 PolarHBondContact ND2-O 2.91Å; N24-T145 WeakPolarHBondContact ND2-CG2 3.26Å
25	L	94.3	Very high	92.8	Very high	83 Å²	83	82.7 Å²	82.7	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-38	-178.1	-173.2	66.4	0	0	0	111.8	H21 G22 K29	H21-L25 PolarHBondContact O-N 2.92Å; G22-L25 PolarHBondContact O-N 3.16Å; L25-K29 WeakPolarHBondContact O-CB 3.17Å; L25-K29 WeakPolarHBondContact O-CG 3.26Å; L25-K29 PolarHBondContact O-N 3.48Å
26	L	95	Very high	92.9	Very high	52 Å²	52	77.8 Å²	77.8	27%	0.272	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-47.7	173	-66.2	178	0	0	0	111.2	G22 L23 N24 K29 Q30 L31 F32	G22-L26 WeakPolarHBondContact O-CG 3.35Å; G22-L26 PolarHBondContact O-N 2.81Å; G22-L26 VanDerWaalsContact O-N 3.07Å; L23-L26 PolarHBondContact O-N 3.04Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.36Å; L26-K29 CarbonylContact O-C 3.49Å; L26-K29 PolarHBondContact O-N 2.96Å; L26-Q30 PolarHBondContact O-N 3Å; L26-L31 HydrophobicContact CD2-CB 4.02Å; L26-L31 HydrophobicContact CD2-CD1 4.18Å; L26-L31 PolarHBondContact O-N 3.23Å; L26-F32 HydrophobicContact CD1-CD2 4.22Å; L26-F32 HydrophobicContact CD2-CD2 3.9Å; L26-F32 HydrophobicContact CD2-CE2 3.96Å
27	W	95.3	Very high	93.1	Very high	39 Å²	39	74.3 Å²	74.3	15%	0.148	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-47.3	179.7	-179.8	56.4	0	0	0	112.8	L23 N24 K29 Q30 H45 L140 E141 Y144	L23-W27 WeakPolarHBondContact O-CB 3.42Å; L23-W27 PolarHBondContact O-N 3.19Å; N24-W27 PolarHBondContact O-N 2.89Å; W27-K29 PolarHBondContact O-N 3.34Å; W27-Q30 PolarHBondContact O-N 3.25Å; W27-H45 PolarHBondContact NE1-O 2.99Å; W27-L140 HydrophobicContact CH2-CB 4.26Å; W27-L140 HydrophobicContact CZ2-CB 3.91Å; W27-E141 HydrophobicContact CH2-CG 3.9Å; W27-E141 HydrophobicContact CZ3-CG 4.22Å; W27-Y144 HydrophobicContact CB-CD1 3.63Å; W27-Y144 HydrophobicContact CB-CD2 4.21Å; W27-Y144 HydrophobicContact CB-CE1 3.65Å; W27-Y144 HydrophobicContact CB-CE2 4.26Å; W27-Y144 HydrophobicContact CB-CG 3.93Å; W27-Y144 AromaticContact CD1-CE2 3.57Å; W27-Y144 AromaticContact CD1-CZ 3.69Å; W27-Y144 HydrophobicContact CD2-CD1 4.3Å; W27-Y144 AromaticContact CD2-CD2 3.28Å; W27-Y144 HydrophobicContact CD2-CD2 3.28Å; W27-Y144 AromaticContact CD2-CE2 3.64Å; W27-Y144 HydrophobicContact CD2-CE2 3.64Å; W27-Y144 AromaticContact CD2-CG 3.67Å; W27-Y144 HydrophobicContact CD2-CG 3.67Å; W27-Y144 AromaticContact CE2-CD2 3.64Å; W27-Y144 AromaticContact CE2-CE2 3.72Å; W27-Y144 AromaticContact CE3-CD2 3.53Å; W27-Y144 HydrophobicContact CE3-CD2 3.53Å; W27-Y144 HydrophobicContact CE3-CE2 4.35Å; W27-Y144 AromaticContact CE3-CG 3.64Å; W27-Y144 HydrophobicContact CE3-CG 3.64Å; W27-Y144 AromaticContact CG-CD1 3.94Å; W27-Y144 HydrophobicContact CG-CD1 3.94Å; W27-Y144 AromaticContact CG-CD2 3.59Å; W27-Y144 HydrophobicContact CG-CD2 3.59Å; W27-Y144 AromaticContact CG-CE1 3.88Å; W27-Y144 HydrophobicContact CG-CE1 3.88Å; W27-Y144 AromaticContact CG-CE2 3.56Å; W27-Y144 HydrophobicContact CG-CE2 3.56Å; W27-Y144 AromaticContact CG-CG 3.8Å; W27-Y144 HydrophobicContact CG-CG 3.8Å; W27-Y144 AromaticContact CG-CZ 3.7Å; W27-Y144 HydrophobicContact CH2-CD2 4.37Å; W27-Y144 HydrophobicContact CZ2-CD2 4.18Å; W27-Y144 HydrophobicContact CZ2-CE2 4.46Å; W27-Y144 HydrophobicContact CZ3-CD2 4.07Å; W27-Y144 HydrophobicContact CZ3-CG 4.4Å; W27-Y144 AromaticContact NE1-CE2 3.65Å
28	R	92.7	Very high	93.1	Very high	182 Å²	182	70.1 Å²	70.1	69%	0.687	35%	0.345	S	S	*	.	H	α-helix	trans	-60.9	-29.2	176.3	-74.8	-175.5	174.1	-169.2	0.3	113.5	N24	N24-R28 WeakPolarHBondContact O-CG 3.31Å; N24-R28 PolarHBondContact O-N 3.22Å; N24-R28 VanDerWaalsContact OD1-CD 3.23Å; N24-R28 WeakPolarHBondContact OD1-CD 3.19Å; N24-R28 PolarHBondContact OD1-NE 3.08Å
29	K	93.4	Very high	92.9	Very high	131 Å²	131	65.1 Å²	65.1	57%	0.57	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	0.1	174.9	-66.9	-178.5	177.5	-177.5	0	113.5	L25 L26 W27 L31	L25-K29 WeakPolarHBondContact O-CB 3.17Å; L25-K29 WeakPolarHBondContact O-CG 3.26Å; L25-K29 PolarHBondContact O-N 3.48Å; L26-K29 CarbonylContact O-C 3.49Å; L26-K29 PolarHBondContact O-N 2.96Å; W27-K29 PolarHBondContact O-N 3.34Å; K29-L31 HydrophobicContact CB-CD1 3.86Å; K29-L31 HydrophobicContact CB-CG 3.77Å; K29-L31 HydrophobicContact CD-CD1 4.02Å; K29-L31 PolarHBondContact O-N 3.25Å; K29-L31 VanDerWaalsContact O-N 3.16Å
30	Q	92.4	Very high	92.5	Very high	121 Å²	121	67.3 Å²	67.3	57%	0.565	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.2	-174	-55.7	-179	11.6	0	0	113.6	L26 W27 H45	L26-Q30 PolarHBondContact O-N 3Å; W27-Q30 PolarHBondContact O-N 3.25Å; Q30-H45 HydrophobicContact CG-CB 4.31Å; Q30-H45 PolarHBondContact OE1-ND1 3.44Å
31	L	89.9	Confident	91.9	Very high	81 Å²	81	68.4 Å²	68.4	42%	0.424	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	135.4	177.9	-64.8	174.2	0	0	0	109.6	L26 K29 C33 H47	L26-L31 HydrophobicContact CD2-CB 4.02Å; L26-L31 HydrophobicContact CD2-CD1 4.18Å; L26-L31 PolarHBondContact O-N 3.23Å; K29-L31 HydrophobicContact CB-CD1 3.86Å; K29-L31 HydrophobicContact CB-CG 3.77Å; K29-L31 HydrophobicContact CD-CD1 4.02Å; K29-L31 PolarHBondContact O-N 3.25Å; K29-L31 VanDerWaalsContact O-N 3.16Å; L31-C33 PolarHBondContact O-N 3.49Å; L31-C33 VanDerWaalsContact O-N 3.09Å; L31-H47 PolarHBondContact O-NE2 2.9Å
32	F	91.1	Very high	91.8	Very high	165 Å²	165	66.1 Å²	66.1	72%	0.724	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	12.8	179.4	-46	-69.7	0	0	0	116.1	L26 D34 H47	L26-F32 HydrophobicContact CD1-CD2 4.22Å; L26-F32 HydrophobicContact CD2-CD2 3.9Å; L26-F32 HydrophobicContact CD2-CE2 3.96Å; F32-D34 PolarHBondContact O-N 2.96Å; F32-H47 PolarHBondContact O-CD2 2.93Å; F32-H47 VanDerWaalsContact O-CD2 3.28Å
33	C	90.9	Very high	91.7	Very high	33 Å²	33	70.5 Å²	70.5	22%	0.223	35%	0.35	C	S	.	.			trans	-65.9	123	170.9	-68.1	0	0	0	0	110	L31 H45 C46	L31-C33 PolarHBondContact O-N 3.49Å; L31-C33 VanDerWaalsContact O-N 3.09Å; C33-H45 HydrophobicContact CB-CB 3.98Å; C33-C46 CarbonylContact C-O 3.42Å; C33-C46 VanDerWaalsContact CA-O 3.29Å; C33-C46 WeakPolarHBondContact CA-O 3.36Å; C33-C46 WeakPolarHBondContact CB-O 3.42Å
34	D	92.8	Very high	91.8	Very high	71 Å²	71	69 Å²	69	38%	0.38	34%	0.342	S	S	.	.			trans	-118.9	7.7	-170.9	65.8	-22.9	0	0	0	112.9	F32 C46 H47 K48	F32-D34 PolarHBondContact O-N 2.96Å; D34-C46 PolarHBondContact N-O 2.96Å; D34-H47 VanDerWaalsContact OD1-CA 3.29Å; D34-H47 WeakPolarHBondContact OD1-CA 3.3Å; D34-K48 WeakPolarHBondContact O-CE 3.24Å; D34-K48 PolarHBondContact O-NZ 2.93Å; D34-K48 WeakPolarHBondContact OD1-CG 3.41Å; D34-K48 PolarHBondContact OD1-N 3.46Å; D34-K48 WeakPolarHBondContact OD2-CB 3.38Å; D34-K48 WeakPolarHBondContact OD2-CD 3.34Å
35	V	93.6	Very high	91.8	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.012	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.3	168.5	64.5	0	0	0	0	111.9	L37 C46 K48 L51 F62 N124	V35-L37 HydrophobicContact CG2-CD2 4.21Å; V35-C46 HydrophobicContact CG1-CB 3.97Å; V35-C46 PolarHBondContact N-O 3.29Å; V35-C46 PolarHBondContact O-N 3.11Å; V35-K48 HydrophobicContact CB-CG 3.83Å; V35-K48 HydrophobicContact CG1-CG 3.79Å; V35-L51 HydrophobicContact CG1-CD1 3.79Å; V35-F62 HydrophobicContact CG1-CZ 4.48Å; V35-F62 HydrophobicContact CG2-CZ 4.46Å; V35-N124 CarbonylContact C-O 3.57Å; V35-N124 WeakPolarHBondContact CA-O 2.93Å
36	T	93.4	Very high	91.8	Very high	14 Å²	14	67.2 Å²	67.2	9%	0.086	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.2	169.9	-54.4	0	0	0	0	109.6	Q43 F44 H45 N124 N125 L126	T36-Q43 HydrophobicContact CG2-CB 3.96Å; T36-Q43 HydrophobicContact CG2-CG 4.26Å; T36-F44 WeakPolarHBondContact CA-O 3.47Å; T36-H45 PolarHBondContact OG1-CD2 2.96Å; T36-H45 PolarHBondContact OG1-NE2 3.05Å; T36-N124 PolarHBondContact N-O 2.83Å; T36-N125 WeakPolarHBondContact CB-OD1 3.46Å; T36-N125 WeakPolarHBondContact O-CA 3.4Å; T36-L126 PolarHBondContact O-N 2.91Å
37	L	93.3	Very high	91.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.1	172	-53.6	179.7	0	0	0	109.3	V35 Q43 F44 L51 F58 L126 L128 L136 L140	V35-L37 HydrophobicContact CG2-CD2 4.21Å; L37-Q43 CarbonylContact O-C 3.59Å; L37-Q43 WeakPolarHBondContact O-CA 3.32Å; L37-F44 HydrophobicContact CB-CB 4.39Å; L37-F44 PolarHBondContact N-O 2.73Å; L37-F44 PolarHBondContact O-N 3.14Å; L37-L51 HydrophobicContact CD1-CD1 3.96Å; L37-L51 HydrophobicContact CD1-CD2 4.48Å; L37-L51 HydrophobicContact CD2-CD1 4.28Å; L37-L51 HydrophobicContact CG-CD1 4.38Å; L37-F58 HydrophobicContact CD1-CE1 4.5Å; L37-F58 HydrophobicContact CD1-CZ 3.86Å; L37-F58 HydrophobicContact CD2-CE1 3.93Å; L37-F58 HydrophobicContact CD2-CZ 4.11Å; L37-L126 CarbonylContact C-O 3.49Å; L37-L126 WeakPolarHBondContact CA-O 3.42Å; L37-L126 HydrophobicContact CD2-CB 4.07Å; L37-L126 HydrophobicContact CD2-CD2 3.91Å; L37-L128 HydrophobicContact CB-CD1 4.23Å; L37-L128 HydrophobicContact CD1-CD1 4.17Å; L37-L128 HydrophobicContact CD2-CD1 4.36Å; L37-L128 HydrophobicContact CG-CD1 4.5Å; L37-L136 HydrophobicContact CB-CD2 4.32Å; L37-L136 HydrophobicContact CD1-CD1 4.39Å; L37-L140 HydrophobicContact CD1-CD1 4.46Å; L37-L140 HydrophobicContact CD1-CD2 4.19Å
38	T	90.3	Very high	91.7	Very high	25 Å²	25	65.5 Å²	65.5	15%	0.153	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.8	175.1	-53.2	0	0	0	0	110.2	Q42 Q43 L126 V127 L128	T38-Q42 VanDerWaalsContact CA-O 3.31Å; T38-Q42 WeakPolarHBondContact CA-O 3.12Å; T38-Q43 HydrophobicContact CG2-CG 4.36Å; T38-L126 PolarHBondContact N-O 3.39Å; T38-V127 WeakPolarHBondContact O-CA 3.45Å; T38-L128 PolarHBondContact O-N 2.87Å
39	A	88.6	Confident	91.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.6	176	0	0	0	0	0	109.5	G41 Q42 C131 L136	A39-G41 PolarHBondContact O-N 3.35Å; A39-G41 VanDerWaalsContact O-N 3.13Å; A39-Q42 PolarHBondContact N-O 3.26Å; A39-Q42 PolarHBondContact O-N 3.29Å; A39-C131 HydrophobicContact CB-CB 4.21Å; A39-L136 HydrophobicContact CB-CD2 3.62Å
40	Q	85.8	Confident	91.7	Very high	141 Å²	141	54.8 Å²	54.8	66%	0.659	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	39.1	-174.5	-64.1	174.6	-36.6	0	0	113.7	Q42 S133	Q40-Q42 PolarHBondContact O-N 2.91Å; Q40-S133 PolarHBondContact OE1-OG 2.94Å
41	G	80.8	Confident	91.8	Very high	69 Å²	69	49 Å²	49	71%	0.711	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-11.2	-177.9	0	0	0	0	0	115.9	A39	A39-G41 PolarHBondContact O-N 3.35Å; A39-G41 VanDerWaalsContact O-N 3.13Å
42	Q	91.2	Very high	91.9	Very high	84 Å²	84	46.1 Å²	46.1	39%	0.393	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.1	174.7	-171	169.2	15.4	0	0	111.1	T38 A39 Q40 F44	T38-Q42 VanDerWaalsContact CA-O 3.31Å; T38-Q42 WeakPolarHBondContact CA-O 3.12Å; A39-Q42 PolarHBondContact N-O 3.26Å; A39-Q42 PolarHBondContact O-N 3.29Å; Q40-Q42 PolarHBondContact O-N 2.91Å; Q42-F44 HydrophobicContact CB-CE2 3.91Å; Q42-F44 HydrophobicContact CB-CZ 4.11Å; Q42-F44 HydrophobicContact CG-CE1 4.28Å; Q42-F44 HydrophobicContact CG-CE2 3.78Å; Q42-F44 HydrophobicContact CG-CZ 3.61Å
43	Q	93.1	Very high	91.9	Very high	121 Å²	121	41.7 Å²	41.7	57%	0.565	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.8	-179.1	-66.9	-177.2	-9.9	0	0	112.6	T36 L37 T38	T36-Q43 HydrophobicContact CG2-CB 3.96Å; T36-Q43 HydrophobicContact CG2-CG 4.26Å; L37-Q43 CarbonylContact O-C 3.59Å; L37-Q43 WeakPolarHBondContact O-CA 3.32Å; T38-Q43 HydrophobicContact CG2-CG 4.36Å
44	F	94.9	Very high	91.9	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	110	-177.8	-56.8	-90.9	0	0	0	110.8	T36 L37 Q42 S133 L136 R137 L140	T36-F44 WeakPolarHBondContact CA-O 3.47Å; L37-F44 HydrophobicContact CB-CB 4.39Å; L37-F44 PolarHBondContact N-O 2.73Å; L37-F44 PolarHBondContact O-N 3.14Å; Q42-F44 HydrophobicContact CB-CE2 3.91Å; Q42-F44 HydrophobicContact CB-CZ 4.11Å; Q42-F44 HydrophobicContact CG-CE1 4.28Å; Q42-F44 HydrophobicContact CG-CE2 3.78Å; Q42-F44 HydrophobicContact CG-CZ 3.61Å; F44-S133 WeakPolarHBondContact CZ-O 3.44Å; F44-L136 HydrophobicContact CD2-CD2 3.69Å; F44-L136 HydrophobicContact CD2-CG 4.37Å; F44-L136 HydrophobicContact CE2-CD2 3.87Å; F44-L136 HydrophobicContact CE2-CG 4.41Å; F44-L136 HydrophobicContact CG-CD2 4.44Å; F44-R137 HydrophobicContact CE1-CB 3.79Å; F44-R137 HydrophobicContact CE1-CG 4.24Å; F44-R137 HydrophobicContact CZ-CB 4.24Å; F44-L140 HydrophobicContact CB-CD1 3.66Å; F44-L140 HydrophobicContact CD1-CD1 3.94Å; F44-L140 HydrophobicContact CG-CD1 3.86Å
45	H	94.8	Very high	91.9	Very high	63 Å²	63	39.1 Å²	39.1	29%	0.292	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.3	174.9	-59.9	102.3	0	0	0	110.4	W27 Q30 C33 T36	W27-H45 PolarHBondContact NE1-O 2.99Å; Q30-H45 HydrophobicContact CG-CB 4.31Å; Q30-H45 PolarHBondContact OE1-ND1 3.44Å; C33-H45 HydrophobicContact CB-CB 3.98Å; T36-H45 PolarHBondContact OG1-CD2 2.96Å; T36-H45 PolarHBondContact OG1-NE2 3.05Å
46	C	95.6	Very high	91.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	167.4	-171.8	-64.8	0	0	0	0	112	C33 D34 V35 L51	C33-C46 CarbonylContact C-O 3.42Å; C33-C46 VanDerWaalsContact CA-O 3.29Å; C33-C46 WeakPolarHBondContact CA-O 3.36Å; C33-C46 WeakPolarHBondContact CB-O 3.42Å; D34-C46 PolarHBondContact N-O 2.96Å; V35-C46 HydrophobicContact CG1-CB 3.97Å; V35-C46 PolarHBondContact N-O 3.29Å; V35-C46 PolarHBondContact O-N 3.11Å; C46-L51 HydrophobicContact CB-CD1 3.87Å; C46-L51 HydrophobicContact CB-CD2 4.47Å; C46-L51 HydrophobicContact CB-CG 4.24Å
47	H	95.3	Very high	91.3	Very high	16 Å²	16	48 Å²	48	7%	0.074	27%	0.271	C	S	.	.			trans	-99.9	122.9	171.8	-50.4	89.8	0	0	0	110.9	L31 F32 D34 A49 V50 L51 Y144	L31-H47 PolarHBondContact O-NE2 2.9Å; F32-H47 PolarHBondContact O-CD2 2.93Å; F32-H47 VanDerWaalsContact O-CD2 3.28Å; D34-H47 VanDerWaalsContact OD1-CA 3.29Å; D34-H47 WeakPolarHBondContact OD1-CA 3.3Å; H47-A49 PolarHBondContact O-N 3.12Å; H47-V50 HydrophobicContact CB-CB 4.27Å; H47-V50 HydrophobicContact CB-CG2 3.97Å; H47-V50 PolarHBondContact O-N 2.67Å; H47-V50 VanDerWaalsContact O-N 3.15Å; H47-L51 WeakPolarHBondContact O-CG 3.27Å; H47-L51 PolarHBondContact O-N 3.21Å; H47-L51 VanDerWaalsContact O-N 3.09Å; H47-Y144 PolarHBondContact N-OH 3.37Å; H47-Y144 AromaticContact ND1-CE1 3.43Å; H47-Y144 WeakPolarHBondContact ND1-CE1 3.44Å; H47-Y144 AromaticContact ND1-CZ 3.55Å; H47-Y144 PolarHBondContact ND1-OH 3.47Å
48	K	92.8	Very high	91.2	Very high	38 Å²	38	48 Å²	48	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-54.1	-40.1	176.5	-71.6	176.3	175	128.5	0	112.2	D34 V35 V50 L51 A52 F62 I123 N124	D34-K48 WeakPolarHBondContact O-CE 3.24Å; D34-K48 PolarHBondContact O-NZ 2.93Å; D34-K48 WeakPolarHBondContact OD1-CG 3.41Å; D34-K48 PolarHBondContact OD1-N 3.46Å; D34-K48 WeakPolarHBondContact OD2-CB 3.38Å; D34-K48 WeakPolarHBondContact OD2-CD 3.34Å; V35-K48 HydrophobicContact CB-CG 3.83Å; V35-K48 HydrophobicContact CG1-CG 3.79Å; K48-V50 PolarHBondContact O-N 2.69Å; K48-L51 PolarHBondContact O-N 3.47Å; K48-A52 VanDerWaalsContact O-CB 3.28Å; K48-A52 WeakPolarHBondContact O-CB 3.29Å; K48-A52 PolarHBondContact O-N 2.97Å; K48-F62 HydrophobicContact CB-CD2 3.84Å; K48-F62 HydrophobicContact CB-CE2 3.87Å; K48-F62 HydrophobicContact CG-CD2 4.05Å; K48-F62 HydrophobicContact CG-CE1 4.43Å; K48-F62 HydrophobicContact CG-CE2 3.84Å; K48-F62 HydrophobicContact CG-CG 4.47Å; K48-F62 HydrophobicContact CG-CZ 4.05Å; K48-I123 WeakPolarHBondContact CE-O 3.43Å; K48-I123 PolarHBondContact NZ-O 2.91Å; K48-N124 PolarHBondContact NZ-OD1 3.09Å
49	A	91.9	Very high	91.1	Very high	76 Å²	76	52.5 Å²	52.5	63%	0.628	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-40.8	179.5	0	0	0	0	0	113.2	H47 S53	H47-A49 PolarHBondContact O-N 3.12Å; A49-S53 WeakPolarHBondContact O-CB 3.48Å; A49-S53 PolarHBondContact O-N 2.88Å; A49-S53 PolarHBondContact O-OG 3.2Å
50	V	94	Very high	91	Very high	12 Å²	12	55.7 Å²	55.7	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-74.1	-40.2	178.6	-179.8	0	0	0	0	110.8	L23 H47 K48 S53 C54 L143 Y144	L23-V50 HydrophobicContact CD1-CG2 4.08Å; L23-V50 HydrophobicContact CD2-CG2 3.95Å; L23-V50 HydrophobicContact CG-CG2 4.49Å; H47-V50 HydrophobicContact CB-CB 4.27Å; H47-V50 HydrophobicContact CB-CG2 3.97Å; H47-V50 PolarHBondContact O-N 2.67Å; H47-V50 VanDerWaalsContact O-N 3.15Å; K48-V50 PolarHBondContact O-N 2.69Å; V50-S53 PolarHBondContact O-N 3.09Å; V50-S53 PolarHBondContact O-OG 2.96Å; V50-C54 PolarHBondContact O-N 3.03Å; V50-L143 HydrophobicContact CG1-CB 4.46Å; V50-Y144 HydrophobicContact CB-CE1 4.05Å; V50-Y144 HydrophobicContact CG1-CD1 4.26Å; V50-Y144 HydrophobicContact CG1-CE1 3.78Å; V50-Y144 HydrophobicContact CG2-CE1 3.93Å
51	L	93.7	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-47.7	174.1	-66.7	-176.5	0	0	0	111.4	V35 L37 C46 H47 K48 S53 C54 S55 F58 F62 L140 L143	V35-L51 HydrophobicContact CG1-CD1 3.79Å; L37-L51 HydrophobicContact CD1-CD1 3.96Å; L37-L51 HydrophobicContact CD1-CD2 4.48Å; L37-L51 HydrophobicContact CD2-CD1 4.28Å; L37-L51 HydrophobicContact CG-CD1 4.38Å; C46-L51 HydrophobicContact CB-CD1 3.87Å; C46-L51 HydrophobicContact CB-CD2 4.47Å; C46-L51 HydrophobicContact CB-CG 4.24Å; H47-L51 WeakPolarHBondContact O-CG 3.27Å; H47-L51 PolarHBondContact O-N 3.21Å; H47-L51 VanDerWaalsContact O-N 3.09Å; K48-L51 PolarHBondContact O-N 3.47Å; L51-S53 PolarHBondContact O-N 3.49Å; L51-C54 PolarHBondContact O-N 3.24Å; L51-S55 WeakPolarHBondContact O-CB 3.44Å; L51-S55 PolarHBondContact O-N 3.46Å; L51-F58 HydrophobicContact CB-CB 3.93Å; L51-F58 HydrophobicContact CB-CD2 3.68Å; L51-F58 HydrophobicContact CB-CE2 4.31Å; L51-F58 HydrophobicContact CB-CG 3.83Å; L51-F58 HydrophobicContact CD1-CD1 4.39Å; L51-F58 HydrophobicContact CD1-CD2 4.3Å; L51-F58 HydrophobicContact CD1-CE1 4.32Å; L51-F58 HydrophobicContact CD1-CE2 4.22Å; L51-F58 HydrophobicContact CD1-CG 4.39Å; L51-F58 HydrophobicContact CD1-CZ 4.25Å; L51-F58 HydrophobicContact CD2-CD2 4.09Å; L51-F58 HydrophobicContact CD2-CE2 3.91Å; L51-F58 HydrophobicContact CG-CD2 4.23Å; L51-F58 HydrophobicContact CG-CE2 4.37Å; L51-F62 HydrophobicContact CB-CE2 4.01Å; L51-F62 HydrophobicContact CD1-CE2 4.21Å; L51-F62 HydrophobicContact CD1-CZ 4.28Å; L51-L140 HydrophobicContact CD2-CD2 3.71Å; L51-L143 HydrophobicContact CD2-CD1 3.68Å
52	A	92.3	Very high	91.3	Very high	20 Å²	20	50.3 Å²	50.3	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-71.7	-23.3	179.6	0	0	0	0	0	114.3	K48 R59 F62	K48-A52 VanDerWaalsContact O-CB 3.28Å; K48-A52 WeakPolarHBondContact O-CB 3.29Å; K48-A52 PolarHBondContact O-N 2.97Å; A52-R59 HydrophobicContact CB-CB 4.29Å; A52-R59 VanDerWaalsContact O-CZ 3.28Å; A52-R59 PolarHBondContact O-NE 3.24Å; A52-R59 PolarHBondContact O-NH2 3.32Å; A52-F62 HydrophobicContact CB-CD2 4.22Å
53	S	91.9	Very high	90.7	Very high	73 Å²	73	50.6 Å²	50.6	51%	0.51	28%	0.275	S	S	.	.	H	α-helix	trans	-73.8	-34.8	174.2	66.8	0	0	0	0	111.7	A49 V50 L51 R59	A49-S53 WeakPolarHBondContact O-CB 3.48Å; A49-S53 PolarHBondContact O-N 2.88Å; A49-S53 PolarHBondContact O-OG 3.2Å; V50-S53 PolarHBondContact O-N 3.09Å; V50-S53 PolarHBondContact O-OG 2.96Å; L51-S53 PolarHBondContact O-N 3.49Å; S53-R59 PolarHBondContact O-NH2 3.23Å
54	C	90.6	Very high	89	Confident	50 Å²	50	47.7 Å²	47.7	34%	0.338	27%	0.269	S	S	.	.	H	α-helix	trans	-100.9	-16.2	-174.9	-61.7	0	0	0	0	115.8	V50 L51 L143	V50-C54 PolarHBondContact O-N 3.03Å; L51-C54 PolarHBondContact O-N 3.24Å; C54-L143 HydrophobicContact CB-CD1 4.46Å; C54-L143 HydrophobicContact CB-CD2 3.33Å; C54-L143 HydrophobicContact CB-CG 4.45Å
55	S	92.4	Very high	86.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.298	C	S	.	.			trans	-126.3	129.6	-178	163.4	0	0	0	0	111.5	L51 Y57 F58 R59 L165	L51-S55 WeakPolarHBondContact O-CB 3.44Å; L51-S55 PolarHBondContact O-N 3.46Å; S55-Y57 VanDerWaalsContact C-N 3.35Å; S55-Y57 PolarHBondContact OG-N 3.46Å; S55-F58 WeakPolarHBondContact OG-CD2 3.43Å; S55-F58 PolarHBondContact OG-N 3.09Å; S55-F58 VanDerWaalsContact OG-N 3.09Å; S55-R59 WeakPolarHBondContact O-CB 3.45Å; S55-R59 PolarHBondContact O-N 3.37Å; S55-L165 WeakPolarHBondContact CB-O 3.45Å; S55-L165 PolarHBondContact OG-O 3.22Å
56	Q	86.9	Confident	83.7	Confident	123 Å²	123	56.5 Å²	56.5	58%	0.575	32%	0.32	S	S	*	.	H	α-helix	trans	-67.4	-36.8	171.8	-70.3	-177.6	-11.2	0	0	111.7	R59 S60 H166	Q56-R59 PolarHBondContact O-N 3.49Å; Q56-S60 PolarHBondContact O-N 3.43Å; Q56-S60 PolarHBondContact O-OG 3.49Å; Q56-H166 HydrophobicContact CB-CB 4.25Å
57	Y	88.1	Confident	80.6	Confident	78 Å²	78	60.9 Å²	60.9	31%	0.306	35%	0.348	S	S	.	.	H	α-helix	trans	-56.9	-54.1	175.9	172.5	-94	0	0	0	111.4	S55 R59 S60 L61 L128 L165	S55-Y57 VanDerWaalsContact C-N 3.35Å; S55-Y57 PolarHBondContact OG-N 3.46Å; Y57-R59 VanDerWaalsContact C-N 3.34Å; Y57-R59 PolarHBondContact O-N 2.85Å; Y57-S60 PolarHBondContact O-N 2.97Å; Y57-L61 HydrophobicContact CE1-CD2 4.1Å; Y57-L61 VanDerWaalsContact O-CB 3.3Å; Y57-L61 WeakPolarHBondContact O-CB 3.35Å; Y57-L61 PolarHBondContact O-N 3.46Å; Y57-L128 HydrophobicContact CE1-CD2 4.08Å; Y57-L165 HydrophobicContact CD1-CD2 3.84Å; Y57-L165 HydrophobicContact CE1-CD2 4.07Å
58	F	90.7	Very high	77.6	Confident	1 Å²	1	68.6 Å²	68.6	0%	0.004	39%	0.389	C	S	.	.	H	α-helix	trans	-67.5	-34	178.2	-71.1	-55	0	0	0	112.7	L37 L51 S55 L61 F62 L126 L128 L165	L37-F58 HydrophobicContact CD1-CE1 4.5Å; L37-F58 HydrophobicContact CD1-CZ 3.86Å; L37-F58 HydrophobicContact CD2-CE1 3.93Å; L37-F58 HydrophobicContact CD2-CZ 4.11Å; L51-F58 HydrophobicContact CB-CB 3.93Å; L51-F58 HydrophobicContact CB-CD2 3.68Å; L51-F58 HydrophobicContact CB-CE2 4.31Å; L51-F58 HydrophobicContact CB-CG 3.83Å; L51-F58 HydrophobicContact CD1-CD1 4.39Å; L51-F58 HydrophobicContact CD1-CD2 4.3Å; L51-F58 HydrophobicContact CD1-CE1 4.32Å; L51-F58 HydrophobicContact CD1-CE2 4.22Å; L51-F58 HydrophobicContact CD1-CG 4.39Å; L51-F58 HydrophobicContact CD1-CZ 4.25Å; L51-F58 HydrophobicContact CD2-CD2 4.09Å; L51-F58 HydrophobicContact CD2-CE2 3.91Å; L51-F58 HydrophobicContact CG-CD2 4.23Å; L51-F58 HydrophobicContact CG-CE2 4.37Å; S55-F58 WeakPolarHBondContact OG-CD2 3.43Å; S55-F58 PolarHBondContact OG-N 3.09Å; S55-F58 VanDerWaalsContact OG-N 3.09Å; F58-L61 HydrophobicContact CD1-CD2 4.27Å; F58-L61 PolarHBondContact O-N 3.27Å; F58-F62 HydrophobicContact CB-CD2 4.21Å; F58-F62 HydrophobicContact CB-CE2 3.84Å; F58-F62 HydrophobicContact CB-CZ 4.38Å; F58-F62 HydrophobicContact CD1-CE1 4.45Å; F58-F62 HydrophobicContact CD1-CE2 4.02Å; F58-F62 AromaticContact CD1-CZ 3.73Å; F58-F62 HydrophobicContact CD1-CZ 3.73Å; F58-F62 HydrophobicContact CE1-CZ 4.44Å; F58-F62 HydrophobicContact CG-CE2 4.2Å; F58-F62 HydrophobicContact CG-CZ 4.36Å; F58-F62 WeakPolarHBondContact O-CB 3.39Å; F58-F62 VanDerWaalsContact O-CD2 3.26Å; F58-F62 WeakPolarHBondContact O-CD2 3.18Å; F58-F62 VanDerWaalsContact O-CG 3.25Å; F58-F62 WeakPolarHBondContact O-CG 3.39Å; F58-F62 PolarHBondContact O-N 3.4Å; F58-L126 HydrophobicContact CE1-CD2 3.86Å; F58-L128 HydrophobicContact CE1-CD2 4.43Å; F58-L128 HydrophobicContact CZ-CD1 4.23Å; F58-L165 HydrophobicContact CE1-CD2 4.49Å; F58-L165 HydrophobicContact CE2-CD1 3.99Å; F58-L165 HydrophobicContact CE2-CD2 3.86Å; F58-L165 HydrophobicContact CE2-CG 4.38Å; F58-L165 HydrophobicContact CZ-CD1 4.32Å; F58-L165 HydrophobicContact CZ-CD2 3.72Å
59	R	88.8	Confident	74.6	Confident	120 Å²	120	70.6 Å²	70.6	45%	0.453	42%	0.42	S	S	.	.	H	α-helix	trans	-59.8	-49.5	174.7	-171.9	175.6	-58.7	157.4	8.7	111.7	A52 S53 S55 Q56 Y57 S63	A52-R59 HydrophobicContact CB-CB 4.29Å; A52-R59 VanDerWaalsContact O-CZ 3.28Å; A52-R59 PolarHBondContact O-NE 3.24Å; A52-R59 PolarHBondContact O-NH2 3.32Å; S53-R59 PolarHBondContact O-NH2 3.23Å; S55-R59 WeakPolarHBondContact O-CB 3.45Å; S55-R59 PolarHBondContact O-N 3.37Å; Q56-R59 PolarHBondContact O-N 3.49Å; Y57-R59 VanDerWaalsContact C-N 3.34Å; Y57-R59 PolarHBondContact O-N 2.85Å; R59-S63 WeakPolarHBondContact O-CB 3.02Å; R59-S63 PolarHBondContact O-N 3.21Å; R59-S63 PolarHBondContact O-OG 3.41Å
60	S	85.8	Confident	71.6	Confident	66 Å²	66	70.3 Å²	70.3	46%	0.462	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-46.5	177.2	-62.3	0	0	0	0	111.2	Q56 Y57 F62 S63 S64	Q56-S60 PolarHBondContact O-N 3.43Å; Q56-S60 PolarHBondContact O-OG 3.49Å; Y57-S60 PolarHBondContact O-N 2.97Å; S60-F62 VanDerWaalsContact C-N 3.31Å; S60-F62 PolarHBondContact O-N 2.65Å; S60-S63 PolarHBondContact O-N 3.02Å; S60-S63 PolarHBondContact O-OG 3.27Å; S60-S64 WeakPolarHBondContact O-CB 3.44Å; S60-S64 PolarHBondContact O-N 3.28Å; S60-S64 PolarHBondContact O-OG 3.19Å; S60-S64 VanDerWaalsContact O-OG 3.11Å
61	L	85	Confident	68.6	Low	44 Å²	44	73.4 Å²	73.4	23%	0.23	46%	0.459	C	S	.	.	H	α-helix	trans	-60.3	-36.3	-179.1	-174.7	67.7	0	0	0	113.5	Y57 F58 S64 L126	Y57-L61 HydrophobicContact CE1-CD2 4.1Å; Y57-L61 VanDerWaalsContact O-CB 3.3Å; Y57-L61 WeakPolarHBondContact O-CB 3.35Å; Y57-L61 PolarHBondContact O-N 3.46Å; F58-L61 HydrophobicContact CD1-CD2 4.27Å; F58-L61 PolarHBondContact O-N 3.27Å; L61-S64 PolarHBondContact O-OG 3.39Å; L61-L126 HydrophobicContact CD2-CD1 4.01Å; L61-L126 HydrophobicContact CD2-CD2 3.49Å; L61-L126 VanDerWaalsContact CD2-CD2 3.49Å; L61-L126 HydrophobicContact CD2-CG 4.42Å
62	F	86.8	Confident	65.6	Low	53 Å²	53	80.5 Å²	80.5	23%	0.232	50%	0.502	C	S	.	.	H	α-helix	trans	-92.8	-16.1	-179.3	-57.2	-28.2	0	0	0	113.9	V35 K48 L51 A52 F58 S60	V35-F62 HydrophobicContact CG1-CZ 4.48Å; V35-F62 HydrophobicContact CG2-CZ 4.46Å; K48-F62 HydrophobicContact CB-CD2 3.84Å; K48-F62 HydrophobicContact CB-CE2 3.87Å; K48-F62 HydrophobicContact CG-CD2 4.05Å; K48-F62 HydrophobicContact CG-CE1 4.43Å; K48-F62 HydrophobicContact CG-CE2 3.84Å; K48-F62 HydrophobicContact CG-CG 4.47Å; K48-F62 HydrophobicContact CG-CZ 4.05Å; L51-F62 HydrophobicContact CB-CE2 4.01Å; L51-F62 HydrophobicContact CD1-CE2 4.21Å; L51-F62 HydrophobicContact CD1-CZ 4.28Å; A52-F62 HydrophobicContact CB-CD2 4.22Å; F58-F62 HydrophobicContact CB-CD2 4.21Å; F58-F62 HydrophobicContact CB-CE2 3.84Å; F58-F62 HydrophobicContact CB-CZ 4.38Å; F58-F62 HydrophobicContact CD1-CE1 4.45Å; F58-F62 HydrophobicContact CD1-CE2 4.02Å; F58-F62 AromaticContact CD1-CZ 3.73Å; F58-F62 HydrophobicContact CD1-CZ 3.73Å; F58-F62 HydrophobicContact CE1-CZ 4.44Å; F58-F62 HydrophobicContact CG-CE2 4.2Å; F58-F62 HydrophobicContact CG-CZ 4.36Å; F58-F62 WeakPolarHBondContact O-CB 3.39Å; F58-F62 VanDerWaalsContact O-CD2 3.26Å; F58-F62 WeakPolarHBondContact O-CD2 3.18Å; F58-F62 VanDerWaalsContact O-CG 3.25Å; F58-F62 WeakPolarHBondContact O-CG 3.39Å; F58-F62 PolarHBondContact O-N 3.4Å; S60-F62 VanDerWaalsContact C-N 3.31Å; S60-F62 PolarHBondContact O-N 2.65Å
63	S	79.2	Confident	62.7	Low	90 Å²	90	83 Å²	83	63%	0.629	53%	0.529	S	S	*	.	H	α-helix	trans	-95.6	-21.1	176.3	71.6	0	0	0	0	113.8	R59 S60 H65	R59-S63 WeakPolarHBondContact O-CB 3.02Å; R59-S63 PolarHBondContact O-N 3.21Å; R59-S63 PolarHBondContact O-OG 3.41Å; S60-S63 PolarHBondContact O-N 3.02Å; S60-S63 PolarHBondContact O-OG 3.27Å; S63-H65 PolarHBondContact O-N 3.1Å
64	S	57.1	Low	59.6	Low	61 Å²	61	83.2 Å²	83.2	43%	0.427	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-70.7	116.3	176	60.5	0	0	0	0	111.6	S60 L61	S60-S64 WeakPolarHBondContact O-CB 3.44Å; S60-S64 PolarHBondContact O-N 3.28Å; S60-S64 PolarHBondContact O-OG 3.19Å; S60-S64 VanDerWaalsContact O-OG 3.11Å; L61-S64 PolarHBondContact O-OG 3.39Å
65	H	45.7	Very low	56.8	Low	152 Å²	152	90 Å²	90	70%	0.704	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-53.9	137.1	141	-78.1	-59.6	0	0	0	107.4	S63 P67	S63-H65 PolarHBondContact O-N 3.1Å; H65-P67 WeakPolarHBondContact O-CD 3.44Å; H65-P67 VanDerWaalsContact O-N 3.08Å
66	P	33.6	Very low	53.7	Low	114 Å²	114	98.4 Å²	98.4	74%	0.74	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-61.6	118.7	-176.1	25	-33.3	0	0	0	109.1
67	P	31	Very low	50.9	Low	91 Å²	91	95.4 Å²	95.4	59%	0.591	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-60.5	144	150.4	30.2	-31.3	0	0	0	106.5	H65 G69	H65-P67 WeakPolarHBondContact O-CD 3.44Å; H65-P67 VanDerWaalsContact O-N 3.08Å; P67-G69 PolarHBondContact O-N 3.25Å; P67-G69 VanDerWaalsContact O-N 3.15Å
68	L	30.8	Very low	48	Very low	179 Å²	179	100.7 Å²	100.7	94%	0.937	65%	0.65	S	S	*	*	S	Bend	trans	-52.5	122.7	153	-71.7	154.3	0	0	0	105.5
69	G	29.6	Very low	44.9	Very low	79 Å²	79	104.3 Å²	104.3	81%	0.814	69%	0.688	S	S	*	*	S	Bend	trans	-56.1	156.2	-154.6	0	0	0	0	0	114.8	P67	P67-G69 PolarHBondContact O-N 3.25Å; P67-G69 VanDerWaalsContact O-N 3.15Å
70	G	30.3	Very low	41.9	Very low	70 Å²	70	103.4 Å²	103.4	72%	0.722	71%	0.706	S	S	*	*			cis	171.7	-171.8	6.7	0	0	0	0	0	109.4
71	G	31.3	Very low	39.3	Very low	78 Å²	78	106 Å²	106	80%	0.804	72%	0.722	S	S	*	*			trans	97	100	174.8	0	0	0	0	0	114.4	G73	G71-G73 PolarHBondContact O-N 3.07Å
72	V	29.8	Very low	36.5	Very low	148 Å²	148	113.7 Å²	113.7	90%	0.897	75%	0.753	S	S	*	*			trans	-84.1	97.1	170	179	0	0	0	0	108.5
73	G	31.1	Very low	33.7	Very low	72 Å²	72	118.1 Å²	118.1	74%	0.742	78%	0.779	S	S	*	*			trans	-94.1	123.5	165.8	0	0	0	0	0	110.2	G71	G71-G73 PolarHBondContact O-N 3.07Å
74	G	27.4	Very low	31.1	Very low	79 Å²	79	121.7 Å²	121.7	81%	0.814	79%	0.786	S	S	*	*			trans	-77.9	130.7	177.7	0	0	0	0	0	112.3
75	Q	31.3	Very low	29.7	Very low	193 Å²	193	127.6 Å²	127.6	90%	0.902	81%	0.807	S	S	*	*			trans	-139.3	101.7	162.9	-75.2	-169.9	-5.9	0	0	110.4
76	D	27.4	Very low	28.6	Very low	175 Å²	175	128.9 Å²	128.9	94%	0.936	81%	0.813	S	S	*	*			trans	-88.3	143.9	141.4	-63.5	-52.5	0	0	0	106.1
77	G	27.6	Very low	29.3	Very low	61 Å²	61	128.3 Å²	128.3	63%	0.629	81%	0.809	S	S	*	*			cis	171.5	-169.4	0.4	0	0	0	0	0	109.1
78	L	27.4	Very low	29.9	Very low	189 Å²	189	129.7 Å²	129.7	99%	0.99	82%	0.818	S	S	*	*			trans	76.8	124.6	-179.2	-45.8	168	0	0	0	115.2
79	G	24.9	Very low	29.7	Very low	77 Å²	77	129.8 Å²	129.8	79%	0.794	81%	0.814	S	S	*	*			cis	140.3	110.9	-11.4	0	0	0	0	0	113.9
80	A	26.4	Very low	29.6	Very low	101 Å²	101	134.6 Å²	134.6	84%	0.835	82%	0.815	S	S	*	*			trans	-177.3	148.3	153.3	0	0	0	0	0	111.4
81	P	30.8	Very low	29.5	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	82%	0.821	S	S	*	*			trans	-100.3	156.1	-174.7	38.4	-34	0	0	0	113.9
82	K	28	Very low	29.4	Very low	204 Å²	204	144.5 Å²	144.5	89%	0.887	82%	0.822	S	S	*	*			trans	-147.3	155.9	158.1	-79.7	-155.4	175.1	-176.9	0	113.2
83	D	26.8	Very low	29.7	Very low	146 Å²	146	143 Å²	143	78%	0.781	82%	0.815	S	S	*	*			trans	-85.9	164	-158.9	-58.5	-84	0	0	0	117.3
84	Q	25.7	Very low	29.5	Very low	166 Å²	166	143.8 Å²	143.8	78%	0.776	81%	0.809	S	S	*	*			trans	-1.5	125.7	147.1	-51.6	173.9	6.9	0	0	117.9
85	Q	26.3	Very low	29.7	Very low	185 Å²	185	148 Å²	148	86%	0.864	81%	0.808	S	S	*	*				176.2	150.1	109.6	-92.9	166.8	25.3	0	0	113.3
86	Q	23.7	Very low	29.6	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	80%	0.803	S	S	*	*			trans	-137	169.3	172	-101.6	-166	2.9	0	0	108.6
87	P	48.1	Very low	29.5	Very low	101 Å²	101	147.6 Å²	147.6	66%	0.656	80%	0.8	S	S	*	*			cis	-113.5	-89.9	-24	18.7	4.8	0	0	0	110.9
88	P	42.1	Very low	29.6	Very low	121 Å²	121	153.6 Å²	153.6	79%	0.786	81%	0.812	S	S	*	*			cis	-98.4	-148.2	-11.1	38.8	-28	0	0	0	113.5
89	Q	28.1	Very low	30.1	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	80%	0.801	S	S	*	*			trans	-126.5	167.9	-168.1	-56.1	149.7	-33.2	0	0	113
90	Q	27.2	Very low	31.3	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	80%	0.797	S	S	*	*			trans	-164.6	148.1	145.9	-98.5	168.3	27.6	0	0	107.5
91	Q	27.5	Very low	31.7	Very low	181 Å²	181	152.3 Å²	152.3	85%	0.846	79%	0.792	S	S	*	*			cis	-172.2	147.2	-27	-123.2	178.2	-0.4	0	0	106.7
92	Q	29.6	Very low	31.8	Very low	176 Å²	176	153.9 Å²	153.9	82%	0.822	79%	0.789	S	S	*	*			trans	-82	167.3	174.3	-69	-179.9	-18.7	0	0	111.7
93	P	37.2	Very low	31.8	Very low	116 Å²	116	151.8 Å²	151.8	75%	0.753	78%	0.782	S	S	*	*				-139.3	159.4	71.2	24.5	-0.9	0	0	0	114.1
94	S	26.3	Very low	31.7	Very low	88 Å²	88	152.6 Å²	152.6	62%	0.615	78%	0.782	S	S	*	*			cis	91	121.9	23.3	83.8	0	0	0	0	117.2
95	Q	30.7	Very low	32.4	Very low	169 Å²	169	150.5 Å²	150.5	79%	0.79	78%	0.782	S	S	*	*			trans	162.3	148.8	158	-93.4	174.5	61.3	0	0	108.6
96	Q	28.7	Very low	32.3	Very low	173 Å²	173	145.3 Å²	145.3	81%	0.808	78%	0.778	S	S	*	*			cis	-149.4	164.9	12	-116.4	163.3	34.6	0	0	111
97	Q	26.8	Very low	32.4	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	78%	0.775	S	S	*	*			trans	-117.8	162	176.9	-61.5	169	-34.3	0	0	111
98	Q	29.3	Very low	31.9	Very low	188 Å²	188	143.8 Å²	143.8	88%	0.879	78%	0.782	S	S	*	*			trans	-178	164.9	131.9	-103.2	-171.9	8	0	0	114.1
99	P	37.5	Very low	31.1	Very low	116 Å²	116	142.7 Å²	142.7	75%	0.753	78%	0.777	S	S	*	*				-136.7	-135.2	-116.9	48	-25.3	0	0	0	115.5
100	P	49.6	Very low	31.1	Very low	109 Å²	109	138.9 Å²	138.9	71%	0.708	77%	0.771	S	S	*	*			trans	-128.8	-162.9	-138.8	39.1	-13.8	0	0	0	115.6
101	P	36.3	Very low	31.1	Very low	114 Å²	114	135.4 Å²	135.4	74%	0.74	77%	0.766	S	S	*	*			trans	-134.3	128.4	135.6	18.2	2.9	0	0	0	113.3
102	Q	31.2	Very low	31.3	Very low	154 Å²	154	132.7 Å²	132.7	72%	0.72	76%	0.764	S	S	*	*				72.6	103.2	91.7	-69	-164.1	-62.1	0	0	115.5
103	E	28.7	Very low	31.3	Very low	160 Å²	160	131.7 Å²	131.7	75%	0.748	76%	0.764	S	S	*	*				94	106	90.7	-82.5	170.6	-141.6	0	0	111.8
104	E	25.4	Very low	30.9	Very low	164 Å²	164	133.8 Å²	133.8	77%	0.766	77%	0.769	S	S	*	*				80.7	159.6	79.7	-90.1	-136	-148.9	0	0	114.3
105	P	39.5	Very low	31.1	Very low	121 Å²	121	139.5 Å²	139.5	79%	0.786	78%	0.783	S	S	*	*			cis	-134.2	173.9	14.2	41.4	-24.3	0	0	0	117.5
106	G	25.8	Very low	31.2	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	79%	0.785	S	S	*	*			trans	161.3	78.9	163.4	0	0	0	0	0	117.4
107	T	24.2	Very low	31.2	Very low	124 Å²	124	138.9 Å²	138.9	76%	0.761	79%	0.789	S	S	*	*			trans	-115	173.1	174.1	53.6	0	0	0	0	111.3
108	P	38.4	Very low	31.4	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	79%	0.789	S	S	*	*			cis	-116.5	-153.8	-3.8	40.1	-22.5	0	0	0	111.5
109	S	25.2	Very low	31.6	Very low	99 Å²	99	132.8 Å²	132.8	69%	0.692	78%	0.781	S	S	*	*			cis	-156.7	-170.4	6.8	68.3	0	0	0	0	113.8
110	S	27.2	Very low	31.7	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	78%	0.775	S	S	*	*			trans	-7.4	144.2	155.6	58.6	0	0	0	0	120.4
111	S	28	Very low	31.5	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	79%	0.785	S	S	*	*			cis	-163	162.2	1.4	42.6	0	0	0	0	110.2
112	P	31.1	Very low	32.6	Very low	123 Å²	123	136.1 Å²	136.1	80%	0.799	78%	0.777	S	S	*	*			trans	-101.4	109	-171.9	35.7	-28.1	0	0	0	114
113	D	29.9	Very low	34.3	Very low	156 Å²	156	132.3 Å²	132.3	83%	0.834	76%	0.761	S	S	*	*			trans	-138.9	94.7	163.4	-88.9	-46.2	0	0	0	109.3
114	D	29.8	Very low	36.8	Very low	159 Å²	159	128.3 Å²	128.3	85%	0.85	75%	0.745	S	S	*	*			trans	172.3	97.1	144	-107	-28.4	0	0	0	110
115	K	30.3	Very low	39.7	Very low	208 Å²	208	126.2 Å²	126.2	90%	0.904	74%	0.739	S	S	*	*			trans	-126.9	94.6	155.6	-86.2	-169.7	175.9	179	0	108.8	L117	K115-L117 PolarHBondContact O-N 3.01Å
116	L	31.5	Very low	42	Very low	161 Å²	161	121.6 Å²	121.6	84%	0.843	71%	0.708	S	S	*	*			trans	-22.2	121.8	171.1	-77.6	137.3	0	0	0	114.2	T118	L116-T118 PolarHBondContact O-N 2.85Å
117	L	29.7	Very low	44.8	Very low	169 Å²	169	122.3 Å²	122.3	89%	0.885	70%	0.697	S	S	*	*			trans	-53.4	120.3	163.3	-81.7	72.2	0	0	0	109.3	K115 S119	K115-L117 PolarHBondContact O-N 3.01Å; L117-S119 PolarHBondContact O-N 2.75Å
118	T	30.8	Very low	47.7	Very low	140 Å²	140	116.7 Å²	116.7	86%	0.859	66%	0.662	S	S	*	*			trans	-73	113.8	158.6	37.8	0	0	0	0	108.2	L116	L116-T118 PolarHBondContact O-N 2.85Å
119	S	34.3	Very low	49.7	Very low	104 Å²	104	118.3 Å²	118.3	73%	0.727	66%	0.658	S	S	*	*			trans	-61.9	141.5	-179.6	51.4	0	0	0	0	111.5	L117 R121	L117-S119 PolarHBondContact O-N 2.75Å; S119-R121 PolarHBondContact O-N 2.97Å
120	P	39.2	Very low	52.1	Low	94 Å²	94	116.9 Å²	116.9	61%	0.61	66%	0.659	S	S	*	*			trans	-62.1	138.1	174	26.3	-33.4	0	0	0	109.9	A122	P120-A122 PolarHBondContact O-N 3.47Å
121	R	45.4	Very low	54.9	Low	246 Å²	246	112.3 Å²	112.3	93%	0.928	63%	0.627	S	S	*	*			trans	-55.7	115.1	175.5	-81.9	-178.6	170.5	174.1	-3.2	109.4	S119 I123	S119-R121 PolarHBondContact O-N 2.97Å; R121-I123 PolarHBondContact O-N 3.28Å; R121-I123 VanDerWaalsContact O-N 3.08Å
122	A	58.7	Low	57.9	Low	70 Å²	70	108 Å²	108	58%	0.579	60%	0.597	S	S	*	*			trans	-69.2	106.9	-176.7	0	0	0	0	0	110.8	P120 N124	P120-A122 PolarHBondContact O-N 3.47Å; A122-N124 WeakPolarHBondContact CB-OD1 3.36Å; A122-N124 PolarHBondContact O-N 3.42Å; A122-N124 PolarHBondContact O-OD1 3.39Å
123	I	67.8	Low	60.8	Low	74 Å²	74	103 Å²	103	38%	0.379	57%	0.566	S	S	.	*			trans	-69.6	98.3	171.2	-57.3	174.3	0	0	0	107.3	K48 R121	K48-I123 WeakPolarHBondContact CE-O 3.43Å; K48-I123 PolarHBondContact NZ-O 2.91Å; R121-I123 PolarHBondContact O-N 3.28Å; R121-I123 VanDerWaalsContact O-N 3.08Å
124	N	81.4	Confident	63.8	Low	76 Å²	76	98.4 Å²	98.4	41%	0.406	54%	0.54	S	S	.	.			trans	-107.6	-17.9	-175	-66.9	-7.7	0	0	0	113.2	V35 T36 K48 A122	V35-N124 CarbonylContact C-O 3.57Å; V35-N124 WeakPolarHBondContact CA-O 2.93Å; T36-N124 PolarHBondContact N-O 2.83Å; K48-N124 PolarHBondContact NZ-OD1 3.09Å; A122-N124 WeakPolarHBondContact CB-OD1 3.36Å; A122-N124 PolarHBondContact O-N 3.42Å; A122-N124 PolarHBondContact O-OD1 3.39Å
125	N	85.9	Confident	66.8	Low	119 Å²	119	90.9 Å²	90.9	64%	0.636	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	129.2	173.5	-65.2	-57.6	0	0	0	108.5	T36	T36-N125 WeakPolarHBondContact CB-OD1 3.46Å; T36-N125 WeakPolarHBondContact O-CA 3.4Å
126	L	86.9	Confident	69.9	Low	25 Å²	25	81 Å²	81	13%	0.131	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.5	179.6	-174	72.3	0	0	0	110	T36 L37 T38 F58 L61 L128	T36-L126 PolarHBondContact O-N 2.91Å; L37-L126 CarbonylContact C-O 3.49Å; L37-L126 WeakPolarHBondContact CA-O 3.42Å; L37-L126 HydrophobicContact CD2-CB 4.07Å; L37-L126 HydrophobicContact CD2-CD2 3.91Å; T38-L126 PolarHBondContact N-O 3.39Å; F58-L126 HydrophobicContact CE1-CD2 3.86Å; L61-L126 HydrophobicContact CD2-CD1 4.01Å; L61-L126 HydrophobicContact CD2-CD2 3.49Å; L61-L126 VanDerWaalsContact CD2-CD2 3.49Å; L61-L126 HydrophobicContact CD2-CG 4.42Å; L126-L128 HydrophobicContact CD2-CD2 3.66Å; L126-L128 HydrophobicContact CD2-CG 4.35Å; L126-L128 HydrophobicContact CG-CD2 4.18Å
127	V	85.4	Confident	72.9	Confident	91 Å²	91	77.3 Å²	77.3	55%	0.552	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	119	172.3	-175.3	0	0	0	0	108.5	T38	T38-V127 WeakPolarHBondContact O-CA 3.45Å
128	L	85	Confident	76.1	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.031	39%	0.394	C	S	.	.			trans	-93.8	98	179.9	-67.5	175.4	0	0	0	109.6	L37 T38 Y57 F58 L126 C131 L136 L165	L37-L128 HydrophobicContact CB-CD1 4.23Å; L37-L128 HydrophobicContact CD1-CD1 4.17Å; L37-L128 HydrophobicContact CD2-CD1 4.36Å; L37-L128 HydrophobicContact CG-CD1 4.5Å; T38-L128 PolarHBondContact O-N 2.87Å; Y57-L128 HydrophobicContact CE1-CD2 4.08Å; F58-L128 HydrophobicContact CE1-CD2 4.43Å; F58-L128 HydrophobicContact CZ-CD1 4.23Å; L126-L128 HydrophobicContact CD2-CD2 3.66Å; L126-L128 HydrophobicContact CD2-CG 4.35Å; L126-L128 HydrophobicContact CG-CD2 4.18Å; L128-C131 HydrophobicContact CB-CB 4.02Å; L128-L136 HydrophobicContact CD1-CD1 4.05Å; L128-L136 HydrophobicContact CD1-CD2 3.9Å; L128-L165 HydrophobicContact CD1-CD2 4.34Å; L128-L165 HydrophobicContact CD2-CD2 4.33Å
129	Q	79.6	Confident	79.2	Confident	157 Å²	157	63.4 Å²	63.4	73%	0.734	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	141.7	174.3	-59.8	-61.8	-6.8	0	0	110.8	C131	Q129-C131 PolarHBondContact O-N 3.5Å
130	G	75.6	Confident	82.1	Confident	69 Å²	69	58.5 Å²	58.5	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-5.2	-179.2	0	0	0	0	0	116	I164	G130-I164 WeakPolarHBondContact O-CD1 3.39Å
131	C	85.9	Confident	84.7	Confident	5 Å²	5	57 Å²	57	3%	0.034	30%	0.304	C	S	.	.			trans	-89	133.5	173.6	-71.6	0	0	0	0	111.3	A39 L128 Q129 V161	A39-C131 HydrophobicContact CB-CB 4.21Å; L128-C131 HydrophobicContact CB-CB 4.02Å; Q129-C131 PolarHBondContact O-N 3.5Å; C131-V161 HydrophobicContact CB-CG2 4.05Å
132	S	90.9	Very high	87.1	Confident	16 Å²	16	47.3 Å²	47.3	11%	0.112	27%	0.267	C	S	.	.			trans	-78.6	151.7	167.8	75.1	0	0	0	0	111.4	G135 L136 E157	S132-G135 WeakPolarHBondContact OG-CA 3.1Å; S132-G135 PolarHBondContact OG-N 2.75Å; S132-G135 VanDerWaalsContact OG-N 3.07Å; S132-L136 VanDerWaalsContact O-CB 3.23Å; S132-L136 WeakPolarHBondContact O-CB 3.25Å; S132-L136 PolarHBondContact O-N 2.63Å; S132-E157 WeakPolarHBondContact CB-OE2 3.38Å; S132-E157 WeakPolarHBondContact OG-CB 3.46Å; S132-E157 PolarHBondContact OG-OE2 2.83Å
133	S	91.8	Very high	88.8	Confident	19 Å²	19	44.4 Å²	44.4	13%	0.133	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-35.9	179.2	56.7	0	0	0	0	112.9	Q40 F44 R137	Q40-S133 PolarHBondContact OE1-OG 2.94Å; F44-S133 WeakPolarHBondContact CZ-O 3.44Å; S133-R137 WeakPolarHBondContact O-CB 3.38Å; S133-R137 PolarHBondContact O-N 2.75Å
134	I	93.6	Very high	90.2	Very high	59 Å²	59	40.9 Å²	40.9	30%	0.303	22%	0.224	S	C	.	.	H	α-helix	trans	-73.1	-48.3	178.2	-60.8	165	0	0	0	110.2	L136 R137 L138 T154 E157	I134-L136 PolarHBondContact O-N 3.43Å; I134-R137 PolarHBondContact O-N 3.19Å; I134-L138 HydrophobicContact CG2-CD1 4.15Å; I134-L138 PolarHBondContact O-N 3.33Å; I134-L138 VanDerWaalsContact O-N 3.08Å; I134-T154 HydrophobicContact CG2-CG2 4.3Å; I134-E157 WeakPolarHBondContact CB-OE2 3.31Å
135	G	93.1	Very high	90.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-46.5	175.1	0	0	0	0	0	112.2	S132 R137 L138 V139 E157	S132-G135 WeakPolarHBondContact OG-CA 3.1Å; S132-G135 PolarHBondContact OG-N 2.75Å; S132-G135 VanDerWaalsContact OG-N 3.07Å; G135-R137 PolarHBondContact O-N 3.31Å; G135-L138 PolarHBondContact O-N 3.14Å; G135-V139 VanDerWaalsContact O-CG2 3.3Å; G135-V139 WeakPolarHBondContact O-CG2 3.44Å; G135-V139 PolarHBondContact O-N 3.49Å; G135-E157 PolarHBondContact N-OE2 3.38Å
136	L	95.1	Very high	91.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-43	176.2	-178	62.3	0	0	0	112.3	L37 A39 F44 L128 S132 I134 L138 V139 L140 V161 L165	L37-L136 HydrophobicContact CB-CD2 4.32Å; L37-L136 HydrophobicContact CD1-CD1 4.39Å; A39-L136 HydrophobicContact CB-CD2 3.62Å; F44-L136 HydrophobicContact CD2-CD2 3.69Å; F44-L136 HydrophobicContact CD2-CG 4.37Å; F44-L136 HydrophobicContact CE2-CD2 3.87Å; F44-L136 HydrophobicContact CE2-CG 4.41Å; F44-L136 HydrophobicContact CG-CD2 4.44Å; L128-L136 HydrophobicContact CD1-CD1 4.05Å; L128-L136 HydrophobicContact CD1-CD2 3.9Å; S132-L136 VanDerWaalsContact O-CB 3.23Å; S132-L136 WeakPolarHBondContact O-CB 3.25Å; S132-L136 PolarHBondContact O-N 2.63Å; I134-L136 PolarHBondContact O-N 3.43Å; L136-L138 PolarHBondContact O-N 3.17Å; L136-V139 PolarHBondContact O-N 3.42Å; L136-L140 HydrophobicContact CD1-CD1 4.19Å; L136-L140 HydrophobicContact CD1-CG 4.1Å; L136-L140 HydrophobicContact CG-CD1 3.97Å; L136-L140 HydrophobicContact CG-CG 4.31Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 VanDerWaalsContact O-CG 3.26Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.25Å; L136-V161 HydrophobicContact CB-CG1 4.45Å; L136-V161 HydrophobicContact CD1-CG1 4.24Å; L136-L165 HydrophobicContact CD1-CD1 3.92Å
137	R	95.4	Very high	91.3	Very high	84 Å²	84	40.9 Å²	40.9	32%	0.317	24%	0.235	S	C	.	.	H	α-helix	trans	-57.3	-49.9	176.9	-178.1	174.3	62.7	-110.4	2.9	111.8	F44 S133 I134 G135 L140 E141	F44-R137 HydrophobicContact CE1-CB 3.79Å; F44-R137 HydrophobicContact CE1-CG 4.24Å; F44-R137 HydrophobicContact CZ-CB 4.24Å; S133-R137 WeakPolarHBondContact O-CB 3.38Å; S133-R137 PolarHBondContact O-N 2.75Å; I134-R137 PolarHBondContact O-N 3.19Å; G135-R137 PolarHBondContact O-N 3.31Å; R137-L140 PolarHBondContact O-N 3.03Å; R137-E141 WeakPolarHBondContact CG-OE1 3.43Å; R137-E141 WeakPolarHBondContact O-CG 3.43Å; R137-E141 PolarHBondContact O-N 3.12Å
138	L	96.2	Very high	91.8	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-35.8	-178.7	-68.8	170.6	0	0	0	112.5	I134 G135 L136 Y142 T154 V158	I134-L138 HydrophobicContact CG2-CD1 4.15Å; I134-L138 PolarHBondContact O-N 3.33Å; I134-L138 VanDerWaalsContact O-N 3.08Å; G135-L138 PolarHBondContact O-N 3.14Å; L136-L138 PolarHBondContact O-N 3.17Å; L138-Y142 PolarHBondContact O-N 3.04Å; L138-T154 HydrophobicContact CD1-CG2 4.15Å; L138-V158 HydrophobicContact CB-CG2 3.75Å; L138-V158 HydrophobicContact CD1-CG2 3.57Å; L138-V158 HydrophobicContact CG-CG2 4.31Å
139	V	96.3	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-44.2	172	170.1	0	0	0	0	111.1	G135 L136 Y142 L143 V158 V161 L165 I167 V170	G135-V139 VanDerWaalsContact O-CG2 3.3Å; G135-V139 WeakPolarHBondContact O-CG2 3.44Å; G135-V139 PolarHBondContact O-N 3.49Å; L136-V139 PolarHBondContact O-N 3.42Å; V139-Y142 WeakPolarHBondContact O-CB 3.47Å; V139-Y142 PolarHBondContact O-N 3.42Å; V139-L143 WeakPolarHBondContact O-CG 3.41Å; V139-L143 PolarHBondContact O-N 2.9Å; V139-V158 HydrophobicContact CG2-CG1 4Å; V139-V161 HydrophobicContact CB-CG1 4.34Å; V139-V161 HydrophobicContact CG2-CB 4.21Å; V139-V161 HydrophobicContact CG2-CG1 3.98Å; V139-L165 HydrophobicContact CG1-CD1 4.31Å; V139-I167 HydrophobicContact CG1-CD1 3.53Å; V139-V170 HydrophobicContact CG2-CG1 4.33Å
140	L	94.9	Very high	92.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-43	176.3	-70.1	174.1	0	0	0	111.6	W27 L37 F44 L51 L136 R137 Y142 L143 Y144	W27-L140 HydrophobicContact CH2-CB 4.26Å; W27-L140 HydrophobicContact CZ2-CB 3.91Å; L37-L140 HydrophobicContact CD1-CD1 4.46Å; L37-L140 HydrophobicContact CD1-CD2 4.19Å; F44-L140 HydrophobicContact CB-CD1 3.66Å; F44-L140 HydrophobicContact CD1-CD1 3.94Å; F44-L140 HydrophobicContact CG-CD1 3.86Å; L51-L140 HydrophobicContact CD2-CD2 3.71Å; L136-L140 HydrophobicContact CD1-CD1 4.19Å; L136-L140 HydrophobicContact CD1-CG 4.1Å; L136-L140 HydrophobicContact CG-CD1 3.97Å; L136-L140 HydrophobicContact CG-CG 4.31Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 VanDerWaalsContact O-CG 3.26Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.25Å; R137-L140 PolarHBondContact O-N 3.03Å; L140-Y142 VanDerWaalsContact C-N 3.26Å; L140-Y142 PolarHBondContact O-N 3.13Å; L140-L143 HydrophobicContact CD2-CD1 4.32Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.49Å; L140-Y144 VanDerWaalsContact O-CD2 3.27Å; L140-Y144 WeakPolarHBondContact O-CD2 3.4Å; L140-Y144 PolarHBondContact O-N 2.85Å
141	E	94.2	Very high	93.7	Very high	63 Å²	63	33.9 Å²	33.9	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-54.5	-44	173	-76.4	173.7	-162.2	0	0	111.1	W27 R137 Y144 T145	W27-E141 HydrophobicContact CH2-CG 3.9Å; W27-E141 HydrophobicContact CZ3-CG 4.22Å; R137-E141 WeakPolarHBondContact CG-OE1 3.43Å; R137-E141 WeakPolarHBondContact O-CG 3.43Å; R137-E141 PolarHBondContact O-N 3.12Å; E141-Y144 PolarHBondContact O-N 2.92Å; E141-T145 VanDerWaalsContact O-CB 3.28Å; E141-T145 WeakPolarHBondContact O-CB 3.44Å; E141-T145 VanDerWaalsContact O-CG2 3.29Å; E141-T145 WeakPolarHBondContact O-CG2 3.46Å; E141-T145 PolarHBondContact O-N 3.34Å; E141-T145 PolarHBondContact O-OG1 3.06Å
142	Y	96	Very high	93.9	Very high	42 Å²	42	35.6 Å²	35.6	17%	0.165	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-44.5	173.1	172.3	-94.7	0	0	0	113.2	L138 V139 L140 Y144 T145 A146 N147 V148 Q169 V170 L173	L138-Y142 PolarHBondContact O-N 3.04Å; V139-Y142 WeakPolarHBondContact O-CB 3.47Å; V139-Y142 PolarHBondContact O-N 3.42Å; L140-Y142 VanDerWaalsContact C-N 3.26Å; L140-Y142 PolarHBondContact O-N 3.13Å; Y142-Y144 PolarHBondContact O-N 3.09Å; Y142-T145 PolarHBondContact O-N 3.37Å; Y142-A146 WeakPolarHBondContact CE2-O 3.34Å; Y142-A146 VanDerWaalsContact O-CA 3.29Å; Y142-A146 WeakPolarHBondContact O-CA 3.29Å; Y142-A146 PolarHBondContact O-N 3.27Å; Y142-N147 WeakPolarHBondContact CA-O 3.37Å; Y142-N147 PolarHBondContact N-O 3.29Å; Y142-V148 HydrophobicContact CD2-CB 4.05Å; Y142-V148 HydrophobicContact CD2-CG1 4.42Å; Y142-V148 HydrophobicContact CG-CB 4.39Å; Y142-Q169 WeakPolarHBondContact OH-CB 3.33Å; Y142-V170 HydrophobicContact CD1-CG2 3.17Å; Y142-V170 HydrophobicContact CD2-CG2 4.34Å; Y142-V170 HydrophobicContact CE1-CG2 3.39Å; Y142-V170 HydrophobicContact CG-CG2 3.7Å; Y142-L173 HydrophobicContact CD2-CD1 4.4Å; Y142-L173 HydrophobicContact CE2-CD1 3.8Å
143	L	94.8	Very high	93.8	Very high	8 Å²	8	41 Å²	41	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-29	179.1	-65.1	-169.8	0	0	0	113.4	V50 L51 C54 V139 L140 I167	V50-L143 HydrophobicContact CG1-CB 4.46Å; L51-L143 HydrophobicContact CD2-CD1 3.68Å; C54-L143 HydrophobicContact CB-CD1 4.46Å; C54-L143 HydrophobicContact CB-CD2 3.33Å; C54-L143 HydrophobicContact CB-CG 4.45Å; V139-L143 WeakPolarHBondContact O-CG 3.41Å; V139-L143 PolarHBondContact O-N 2.9Å; L140-L143 HydrophobicContact CD2-CD1 4.32Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.49Å; L143-I167 HydrophobicContact CD2-CD1 4.32Å
144	Y	95.3	Very high	93.9	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-102.5	-11.1	179	-68.3	-78.3	0	0	0	114.6	L23 N24 W27 H47 V50 L140 E141 Y142	L23-Y144 HydrophobicContact CB-CD1 4.27Å; N24-Y144 WeakPolarHBondContact CB-O 3.29Å; N24-Y144 PolarHBondContact ND2-O 2.91Å; W27-Y144 HydrophobicContact CB-CD1 3.63Å; W27-Y144 HydrophobicContact CB-CD2 4.21Å; W27-Y144 HydrophobicContact CB-CE1 3.65Å; W27-Y144 HydrophobicContact CB-CE2 4.26Å; W27-Y144 HydrophobicContact CB-CG 3.93Å; W27-Y144 AromaticContact CD1-CE2 3.57Å; W27-Y144 AromaticContact CD1-CZ 3.69Å; W27-Y144 HydrophobicContact CD2-CD1 4.3Å; W27-Y144 AromaticContact CD2-CD2 3.28Å; W27-Y144 HydrophobicContact CD2-CD2 3.28Å; W27-Y144 AromaticContact CD2-CE2 3.64Å; W27-Y144 HydrophobicContact CD2-CE2 3.64Å; W27-Y144 AromaticContact CD2-CG 3.67Å; W27-Y144 HydrophobicContact CD2-CG 3.67Å; W27-Y144 AromaticContact CE2-CD2 3.64Å; W27-Y144 AromaticContact CE2-CE2 3.72Å; W27-Y144 AromaticContact CE3-CD2 3.53Å; W27-Y144 HydrophobicContact CE3-CD2 3.53Å; W27-Y144 HydrophobicContact CE3-CE2 4.35Å; W27-Y144 AromaticContact CE3-CG 3.64Å; W27-Y144 HydrophobicContact CE3-CG 3.64Å; W27-Y144 AromaticContact CG-CD1 3.94Å; W27-Y144 HydrophobicContact CG-CD1 3.94Å; W27-Y144 AromaticContact CG-CD2 3.59Å; W27-Y144 HydrophobicContact CG-CD2 3.59Å; W27-Y144 AromaticContact CG-CE1 3.88Å; W27-Y144 HydrophobicContact CG-CE1 3.88Å; W27-Y144 AromaticContact CG-CE2 3.56Å; W27-Y144 HydrophobicContact CG-CE2 3.56Å; W27-Y144 AromaticContact CG-CG 3.8Å; W27-Y144 HydrophobicContact CG-CG 3.8Å; W27-Y144 AromaticContact CG-CZ 3.7Å; W27-Y144 HydrophobicContact CH2-CD2 4.37Å; W27-Y144 HydrophobicContact CZ2-CD2 4.18Å; W27-Y144 HydrophobicContact CZ2-CE2 4.46Å; W27-Y144 HydrophobicContact CZ3-CD2 4.07Å; W27-Y144 HydrophobicContact CZ3-CG 4.4Å; W27-Y144 AromaticContact NE1-CE2 3.65Å; H47-Y144 PolarHBondContact N-OH 3.37Å; H47-Y144 AromaticContact ND1-CE1 3.43Å; H47-Y144 WeakPolarHBondContact ND1-CE1 3.44Å; H47-Y144 AromaticContact ND1-CZ 3.55Å; H47-Y144 PolarHBondContact ND1-OH 3.47Å; V50-Y144 HydrophobicContact CB-CE1 4.05Å; V50-Y144 HydrophobicContact CG1-CD1 4.26Å; V50-Y144 HydrophobicContact CG1-CE1 3.78Å; V50-Y144 HydrophobicContact CG2-CE1 3.93Å; L140-Y144 VanDerWaalsContact O-CD2 3.27Å; L140-Y144 WeakPolarHBondContact O-CD2 3.4Å; L140-Y144 PolarHBondContact O-N 2.85Å; E141-Y144 PolarHBondContact O-N 2.92Å; Y142-Y144 PolarHBondContact O-N 3.09Å
145	T	94	Very high	94	Very high	53 Å²	53	38.6 Å²	38.6	33%	0.325	21%	0.213	S	C	.	.	H	α-helix	trans	-121.5	-12.8	-177.6	63.9	0	0	0	0	114.6	N24 E141 Y142 N147	N24-T145 WeakPolarHBondContact ND2-CG2 3.26Å; E141-T145 VanDerWaalsContact O-CB 3.28Å; E141-T145 WeakPolarHBondContact O-CB 3.44Å; E141-T145 VanDerWaalsContact O-CG2 3.29Å; E141-T145 WeakPolarHBondContact O-CG2 3.46Å; E141-T145 PolarHBondContact O-N 3.34Å; E141-T145 PolarHBondContact O-OG1 3.06Å; Y142-T145 PolarHBondContact O-N 3.37Å; T145-N147 PolarHBondContact O-N 2.85Å; T145-N147 VanDerWaalsContact O-N 3.15Å; T145-N147 PolarHBondContact OG1-N 3.4Å; T145-N147 PolarHBondContact OG1-O 2.71Å
146	A	92.5	Very high	93.9	Very high	63 Å²	63	41.5 Å²	41.5	52%	0.521	23%	0.227	S	C	.	.	S	Bend	trans	56.3	10.5	-162.1	0	0	0	0	0	115.2	L20 Y142	L20-A146 HydrophobicContact CD2-CB 3.64Å; Y142-A146 WeakPolarHBondContact CE2-O 3.34Å; Y142-A146 VanDerWaalsContact O-CA 3.29Å; Y142-A146 WeakPolarHBondContact O-CA 3.29Å; Y142-A146 PolarHBondContact O-N 3.27Å
147	N	92.5	Very high	93.8	Very high	103 Å²	103	44.3 Å²	44.3	55%	0.551	24%	0.24	S	C	*	.			trans	-118	137.6	179.9	-173.2	30.1	0	0	0	111.2	Y142 T145	Y142-N147 WeakPolarHBondContact CA-O 3.37Å; Y142-N147 PolarHBondContact N-O 3.29Å; T145-N147 PolarHBondContact O-N 2.85Å; T145-N147 VanDerWaalsContact O-N 3.15Å; T145-N147 PolarHBondContact OG1-N 3.4Å; T145-N147 PolarHBondContact OG1-O 2.71Å
148	V	94.3	Very high	93.8	Very high	18 Å²	18	40.3 Å²	40.3	11%	0.109	23%	0.225	C	C	.	.			trans	-124.9	122.2	176.6	65	0	0	0	0	109.4	Y142 L150 V158 L173	Y142-V148 HydrophobicContact CD2-CB 4.05Å; Y142-V148 HydrophobicContact CD2-CG1 4.42Å; Y142-V148 HydrophobicContact CG-CB 4.39Å; V148-L150 HydrophobicContact CG1-CD1 4.21Å; V148-L150 HydrophobicContact CG1-CG 4.2Å; V148-L150 HydrophobicContact CG2-CD2 3.88Å; V148-L150 HydrophobicContact CG2-CG 4.21Å; V148-V158 HydrophobicContact CG2-CG1 4.07Å; V148-L173 HydrophobicContact CG1-CB 4.14Å; V148-L173 HydrophobicContact CG1-CD1 3.81Å
149	T	93.1	Very high	93.7	Very high	88 Å²	88	39.4 Å²	39.4	54%	0.54	22%	0.22	S	C	.	.			trans	-88.2	114.9	177.6	-51.9	0	0	0	0	109
150	L	94.3	Very high	93.4	Very high	31 Å²	31	41.2 Å²	41.2	16%	0.162	23%	0.233	C	C	.	.			trans	-114.4	138.3	-177.1	-61.8	174.6	0	0	0	111	V148 V155 V158 F177	V148-L150 HydrophobicContact CG1-CD1 4.21Å; V148-L150 HydrophobicContact CG1-CG 4.2Å; V148-L150 HydrophobicContact CG2-CD2 3.88Å; V148-L150 HydrophobicContact CG2-CG 4.21Å; L150-V155 HydrophobicContact CD2-CG2 4.41Å; L150-V158 HydrophobicContact CD2-CB 4.08Å; L150-V158 HydrophobicContact CD2-CG1 3.98Å; L150-V158 HydrophobicContact CD2-CG2 4.19Å; L150-F177 HydrophobicContact CB-CD1 4.06Å; L150-F177 HydrophobicContact CB-CD2 3.87Å; L150-F177 HydrophobicContact CB-CE1 4.24Å; L150-F177 HydrophobicContact CB-CE2 4.05Å; L150-F177 HydrophobicContact CB-CG 3.88Å; L150-F177 HydrophobicContact CB-CZ 4.24Å; L150-F177 HydrophobicContact CD1-CB 3.63Å; L150-F177 HydrophobicContact CD1-CD1 4.43Å; L150-F177 HydrophobicContact CD1-CD2 4.43Å; L150-F177 HydrophobicContact CD1-CG 3.92Å
151	S	93.8	Very high	93.4	Very high	39 Å²	39	41.1 Å²	41.1	27%	0.273	23%	0.232	S	C	.	.			trans	-130.6	170.1	163.5	79.1	0	0	0	0	109.4	D153 T154 V155	S151-D153 PolarHBondContact O-N 3.16Å; S151-D153 PolarHBondContact OG-N 3.29Å; S151-D153 PolarHBondContact OG-OD2 3.16Å; S151-D153 VanDerWaalsContact OG-OD2 3.11Å; S151-T154 PolarHBondContact N-OG1 3.45Å; S151-T154 PolarHBondContact O-N 3.47Å; S151-T154 PolarHBondContact OG-N 3.18Å; S151-T154 PolarHBondContact OG-OG1 3.43Å; S151-V155 VanDerWaalsContact O-CB 3.28Å; S151-V155 WeakPolarHBondContact O-CB 3.38Å; S151-V155 WeakPolarHBondContact O-CG1 3.14Å; S151-V155 PolarHBondContact O-N 3.25Å
152	L	89.7	Confident	93.4	Very high	41 Å²	41	38.1 Å²	38.1	22%	0.215	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.2	174	-69.1	172.5	0	0	0	112.5	F177 N186 Q189 V190	L152-F177 HydrophobicContact CD2-CE1 4.32Å; L152-N186 HydrophobicContact CD1-CB 3.84Å; L152-Q189 PolarHBondContact O-NE2 3.23Å; L152-V190 HydrophobicContact CD2-CG2 4.4Å
153	D	90.1	Very high	93.1	Very high	129 Å²	129	40 Å²	40	69%	0.69	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-31.4	177.9	-38.4	-78	0	0	0	112.8	S151	S151-D153 PolarHBondContact O-N 3.16Å; S151-D153 PolarHBondContact OG-N 3.29Å; S151-D153 PolarHBondContact OG-OD2 3.16Å; S151-D153 VanDerWaalsContact OG-OD2 3.11Å
154	T	93.2	Very high	92.9	Very high	28 Å²	28	42.6 Å²	42.6	17%	0.172	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-21.2	-175.2	63.2	0	0	0	0	114.3	I134 L138 S151 E156 E157 V158	I134-T154 HydrophobicContact CG2-CG2 4.3Å; L138-T154 HydrophobicContact CD1-CG2 4.15Å; S151-T154 PolarHBondContact N-OG1 3.45Å; S151-T154 PolarHBondContact O-N 3.47Å; S151-T154 PolarHBondContact OG-N 3.18Å; S151-T154 PolarHBondContact OG-OG1 3.43Å; T154-E156 VanDerWaalsContact C-N 3.34Å; T154-E156 PolarHBondContact O-N 3.45Å; T154-E157 PolarHBondContact O-N 2.69Å; T154-V158 WeakPolarHBondContact O-CG2 3.07Å; T154-V158 PolarHBondContact O-N 2.94Å
155	V	94.5	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-34.8	-171.5	65.3	0	0	0	0	113.6	L150 S151 V158 L159 C174 F177 L178 I193	L150-V155 HydrophobicContact CD2-CG2 4.41Å; S151-V155 VanDerWaalsContact O-CB 3.28Å; S151-V155 WeakPolarHBondContact O-CB 3.38Å; S151-V155 WeakPolarHBondContact O-CG1 3.14Å; S151-V155 PolarHBondContact O-N 3.25Å; V155-V158 PolarHBondContact O-N 2.99Å; V155-L159 WeakPolarHBondContact O-CB 3.47Å; V155-L159 PolarHBondContact O-N 2.84Å; V155-C174 HydrophobicContact CG2-CB 3.85Å; V155-F177 HydrophobicContact CB-CD1 4.18Å; V155-F177 HydrophobicContact CB-CE1 4.22Å; V155-F177 HydrophobicContact CG1-CD1 4.47Å; V155-F177 HydrophobicContact CG1-CE1 4.28Å; V155-F177 HydrophobicContact CG2-CD1 3.99Å; V155-L178 HydrophobicContact CG1-CD2 3.75Å; V155-L178 HydrophobicContact CG1-CG 4.4Å; V155-L178 HydrophobicContact CG2-CD1 4.32Å; V155-L178 HydrophobicContact CG2-CD2 4.29Å; V155-L178 HydrophobicContact CG2-CG 4.02Å; V155-I193 HydrophobicContact CG1-CD1 4.1Å
156	E	92.9	Very high	92.6	Very high	61 Å²	61	45.1 Å²	45.1	29%	0.285	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-42.4	176.2	-170.3	176.6	166.3	0	0	111.3	T154 S160 I193 L196	T154-E156 VanDerWaalsContact C-N 3.34Å; T154-E156 PolarHBondContact O-N 3.45Å; E156-S160 WeakPolarHBondContact O-CB 3.34Å; E156-S160 PolarHBondContact O-N 2.83Å; E156-S160 PolarHBondContact O-OG 3.08Å; E156-I193 HydrophobicContact CB-CD1 4.24Å; E156-I193 HydrophobicContact CB-CG1 4.16Å; E156-I193 HydrophobicContact CB-CG2 4.45Å; E156-I193 HydrophobicContact CG-CG1 4.26Å; E156-I193 HydrophobicContact CG-CG2 4.48Å; E156-L196 WeakPolarHBondContact OE1-CD1 3.49Å
157	E	91.8	Very high	92.7	Very high	59 Å²	59	42.2 Å²	42.2	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-68.2	-46	177.7	-68	-166	-143.7	0	0	112.4	S132 I134 G135 T154 L159 S160 V161	S132-E157 WeakPolarHBondContact CB-OE2 3.38Å; S132-E157 WeakPolarHBondContact OG-CB 3.46Å; S132-E157 PolarHBondContact OG-OE2 2.83Å; I134-E157 WeakPolarHBondContact CB-OE2 3.31Å; G135-E157 PolarHBondContact N-OE2 3.38Å; T154-E157 PolarHBondContact O-N 2.69Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.32Å; E157-S160 WeakPolarHBondContact O-CB 3.4Å; E157-S160 PolarHBondContact O-N 3.32Å; E157-V161 WeakPolarHBondContact O-CG2 3.46Å; E157-V161 PolarHBondContact O-N 3.2Å
158	V	95.5	Very high	92.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-41.9	178.2	178.8	0	0	0	0	110.8	L138 V139 V148 L150 T154 V155 V161 S162 V170	L138-V158 HydrophobicContact CB-CG2 3.75Å; L138-V158 HydrophobicContact CD1-CG2 3.57Å; L138-V158 HydrophobicContact CG-CG2 4.31Å; V139-V158 HydrophobicContact CG2-CG1 4Å; V148-V158 HydrophobicContact CG2-CG1 4.07Å; L150-V158 HydrophobicContact CD2-CB 4.08Å; L150-V158 HydrophobicContact CD2-CG1 3.98Å; L150-V158 HydrophobicContact CD2-CG2 4.19Å; T154-V158 WeakPolarHBondContact O-CG2 3.07Å; T154-V158 PolarHBondContact O-N 2.94Å; V155-V158 PolarHBondContact O-N 2.99Å; V158-V161 PolarHBondContact O-N 3.19Å; V158-S162 WeakPolarHBondContact O-CB 3.46Å; V158-S162 PolarHBondContact O-N 3.13Å; V158-S162 PolarHBondContact O-OG 3.25Å; V158-V170 HydrophobicContact CG1-CG1 3.59Å
159	L	93.9	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-36.5	176.1	178.5	61.4	0	0	0	112.5	V155 E157 S162 K163 T171 C174 L178 I193 H197 L199	V155-L159 WeakPolarHBondContact O-CB 3.47Å; V155-L159 PolarHBondContact O-N 2.84Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.32Å; L159-S162 PolarHBondContact O-OG 3.16Å; L159-K163 WeakPolarHBondContact O-CG 3.41Å; L159-K163 PolarHBondContact O-N 3.2Å; L159-T171 HydrophobicContact CD1-CG2 3.81Å; L159-C174 HydrophobicContact CB-CB 4.14Å; L159-C174 HydrophobicContact CD1-CB 4.08Å; L159-L178 HydrophobicContact CD2-CD1 4.34Å; L159-I193 HydrophobicContact CD2-CG2 4.18Å; L159-H197 HydrophobicContact CD2-CB 3.82Å; L159-H197 HydrophobicContact CG-CB 4.42Å; L159-L199 HydrophobicContact CD2-CD1 3.8Å
160	S	90.6	Very high	92.8	Very high	37 Å²	37	41.2 Å²	41.2	26%	0.259	22%	0.216	S	C	.	.	H	α-helix	trans	-61	-53.4	172.9	-63	0	0	0	0	110.7	E156 E157 K163 I164 H197	E156-S160 WeakPolarHBondContact O-CB 3.34Å; E156-S160 PolarHBondContact O-N 2.83Å; E156-S160 PolarHBondContact O-OG 3.08Å; E157-S160 WeakPolarHBondContact O-CB 3.4Å; E157-S160 PolarHBondContact O-N 3.32Å; S160-K163 PolarHBondContact O-N 3.48Å; S160-I164 WeakPolarHBondContact O-CG1 3.38Å; S160-I164 PolarHBondContact O-N 2.83Å; S160-H197 PolarHBondContact OG-CE1 3.44Å
161	V	93.8	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-37.3	-177.4	177.4	0	0	0	0	111.8	C131 L136 V139 E157 V158 K163 I164 L165	C131-V161 HydrophobicContact CB-CG2 4.05Å; L136-V161 HydrophobicContact CB-CG1 4.45Å; L136-V161 HydrophobicContact CD1-CG1 4.24Å; V139-V161 HydrophobicContact CB-CG1 4.34Å; V139-V161 HydrophobicContact CG2-CB 4.21Å; V139-V161 HydrophobicContact CG2-CG1 3.98Å; E157-V161 WeakPolarHBondContact O-CG2 3.46Å; E157-V161 PolarHBondContact O-N 3.2Å; V158-V161 PolarHBondContact O-N 3.19Å; V161-K163 VanDerWaalsContact C-N 3.27Å; V161-K163 PolarHBondContact O-N 2.88Å; V161-I164 PolarHBondContact O-N 3.07Å; V161-L165 HydrophobicContact CG1-CD1 3.53Å; V161-L165 HydrophobicContact CG1-CG 4.01Å; V161-L165 WeakPolarHBondContact O-CB 3.45Å; V161-L165 WeakPolarHBondContact O-CG 3.41Å; V161-L165 PolarHBondContact O-N 2.93Å
162	S	94.4	Very high	92.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-31.2	177.3	74.5	0	0	0	0	112.9	V158 L159 H166 I167 T171	V158-S162 WeakPolarHBondContact O-CB 3.46Å; V158-S162 PolarHBondContact O-N 3.13Å; V158-S162 PolarHBondContact O-OG 3.25Å; L159-S162 PolarHBondContact O-OG 3.16Å; S162-H166 PolarHBondContact O-N 3.24Å; S162-I167 PolarHBondContact O-N 3.3Å; S162-T171 WeakPolarHBondContact CB-OG1 3.43Å; S162-T171 PolarHBondContact OG-OG1 3.36Å
163	K	90.4	Very high	93.1	Very high	80 Å²	80	47.5 Å²	47.5	35%	0.348	24%	0.24	S	C	.	.	H	α-helix	trans	-72.9	-50	172.2	-73.2	-173.4	179.3	-149	0	111.6	L159 S160 V161 L165 H166 T171 H197	L159-K163 WeakPolarHBondContact O-CG 3.41Å; L159-K163 PolarHBondContact O-N 3.2Å; S160-K163 PolarHBondContact O-N 3.48Å; V161-K163 VanDerWaalsContact C-N 3.27Å; V161-K163 PolarHBondContact O-N 2.88Å; K163-L165 VanDerWaalsContact C-N 3.29Å; K163-L165 PolarHBondContact O-N 2.95Å; K163-H166 PolarHBondContact O-N 3.06Å; K163-T171 HydrophobicContact CG-CG2 4.33Å; K163-H197 PolarHBondContact NZ-O 3Å
164	I	90	Very high	93.4	Very high	64 Å²	64	41.3 Å²	41.3	33%	0.328	21%	0.207	S	C	.	.	H	α-helix	trans	-56.9	-43.1	178.7	-66.8	165.1	0	0	0	111.5	G130 S160 V161 H166	G130-I164 WeakPolarHBondContact O-CD1 3.39Å; S160-I164 WeakPolarHBondContact O-CG1 3.38Å; S160-I164 PolarHBondContact O-N 2.83Å; V161-I164 PolarHBondContact O-N 3.07Å; I164-H166 VanDerWaalsContact C-N 3.29Å; I164-H166 PolarHBondContact O-CD2 3.47Å; I164-H166 PolarHBondContact O-N 3.47Å
165	L	91.3	Very high	93.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4	-179.2	-59.2	-179.3	0	0	0	113.5	S55 Y57 F58 L128 L136 V139 V161 K163 I167	S55-L165 WeakPolarHBondContact CB-O 3.45Å; S55-L165 PolarHBondContact OG-O 3.22Å; Y57-L165 HydrophobicContact CD1-CD2 3.84Å; Y57-L165 HydrophobicContact CE1-CD2 4.07Å; F58-L165 HydrophobicContact CE1-CD2 4.49Å; F58-L165 HydrophobicContact CE2-CD1 3.99Å; F58-L165 HydrophobicContact CE2-CD2 3.86Å; F58-L165 HydrophobicContact CE2-CG 4.38Å; F58-L165 HydrophobicContact CZ-CD1 4.32Å; F58-L165 HydrophobicContact CZ-CD2 3.72Å; L128-L165 HydrophobicContact CD1-CD2 4.34Å; L128-L165 HydrophobicContact CD2-CD2 4.33Å; L136-L165 HydrophobicContact CD1-CD1 3.92Å; V139-L165 HydrophobicContact CG1-CD1 4.31Å; V161-L165 HydrophobicContact CG1-CD1 3.53Å; V161-L165 HydrophobicContact CG1-CG 4.01Å; V161-L165 WeakPolarHBondContact O-CB 3.45Å; V161-L165 WeakPolarHBondContact O-CG 3.41Å; V161-L165 PolarHBondContact O-N 2.93Å; K163-L165 VanDerWaalsContact C-N 3.29Å; K163-L165 PolarHBondContact O-N 2.95Å; L165-I167 HydrophobicContact CB-CD1 3.9Å; L165-I167 HydrophobicContact CB-CG1 4.08Å; L165-I167 HydrophobicContact CD1-CD1 4.42Å
166	H	92.4	Very high	93.5	Very high	106 Å²	106	46.4 Å²	46.4	49%	0.491	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	61.3	-177.5	-66.6	-104.2	0	0	0	112.9	Q56 S162 K163 I164 P168	Q56-H166 HydrophobicContact CB-CB 4.25Å; S162-H166 PolarHBondContact O-N 3.24Å; K163-H166 PolarHBondContact O-N 3.06Å; I164-H166 VanDerWaalsContact C-N 3.29Å; I164-H166 PolarHBondContact O-CD2 3.47Å; I164-H166 PolarHBondContact O-N 3.47Å; H166-P168 WeakPolarHBondContact O-CD 3.33Å
167	I	94.3	Very high	93.6	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.227	C	C	.	.			trans	-117	87.9	176.2	-53.2	171.5	0	0	0	108.6	V139 L143 S162 L165 Q169 V170 T171	V139-I167 HydrophobicContact CG1-CD1 3.53Å; L143-I167 HydrophobicContact CD2-CD1 4.32Å; S162-I167 PolarHBondContact O-N 3.3Å; L165-I167 HydrophobicContact CB-CD1 3.9Å; L165-I167 HydrophobicContact CB-CG1 4.08Å; L165-I167 HydrophobicContact CD1-CD1 4.42Å; I167-Q169 VanDerWaalsContact C-N 3.3Å; I167-Q169 PolarHBondContact O-N 2.79Å; I167-V170 HydrophobicContact CG2-CB 4.17Å; I167-V170 HydrophobicContact CG2-CG2 3.73Å; I167-V170 PolarHBondContact O-N 3.29Å; I167-T171 PolarHBondContact O-N 3.27Å; I167-T171 PolarHBondContact O-OG1 3.32Å; I167-T171 VanDerWaalsContact O-OG1 3.05Å
168	P	91.9	Very high	93.8	Very high	81 Å²	81	42.7 Å²	42.7	53%	0.526	21%	0.214	S	C	.	.	H	α-helix	trans	-63.3	-31.4	-172.3	-25.3	35.6	0	0	0	114.3	H166 T171 K172	H166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-T171 WeakPolarHBondContact O-CB 3.29Å; P168-T171 PolarHBondContact O-N 2.83Å; P168-K172 WeakPolarHBondContact O-CB 3.27Å; P168-K172 PolarHBondContact O-N 3.34Å
169	Q	94.1	Very high	93.7	Very high	107 Å²	107	45.1 Å²	45.1	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-66.5	-45.4	-177.7	-68.7	77.1	-0.6	0	0	111.7	Y142 I167 T171 K172 L173	Y142-Q169 WeakPolarHBondContact OH-CB 3.33Å; I167-Q169 VanDerWaalsContact C-N 3.3Å; I167-Q169 PolarHBondContact O-N 2.79Å; Q169-T171 VanDerWaalsContact C-N 3.34Å; Q169-K172 WeakPolarHBondContact O-CB 3.41Å; Q169-K172 PolarHBondContact O-N 3.29Å; Q169-L173 WeakPolarHBondContact O-CG 3.36Å; Q169-L173 PolarHBondContact O-N 3.41Å
170	V	94.9	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-41.5	174.7	178.9	0	0	0	0	110.5	V139 Y142 V158 I167 K172 L173 C174	V139-V170 HydrophobicContact CG2-CG1 4.33Å; Y142-V170 HydrophobicContact CD1-CG2 3.17Å; Y142-V170 HydrophobicContact CD2-CG2 4.34Å; Y142-V170 HydrophobicContact CE1-CG2 3.39Å; Y142-V170 HydrophobicContact CG-CG2 3.7Å; V158-V170 HydrophobicContact CG1-CG1 3.59Å; I167-V170 HydrophobicContact CG2-CB 4.17Å; I167-V170 HydrophobicContact CG2-CG2 3.73Å; I167-V170 PolarHBondContact O-N 3.29Å; V170-K172 VanDerWaalsContact C-N 3.31Å; V170-K172 PolarHBondContact O-N 3.07Å; V170-L173 PolarHBondContact O-N 2.92Å; V170-L173 VanDerWaalsContact O-N 3.17Å; V170-C174 PolarHBondContact O-N 2.78Å; V170-C174 PolarHBondContact O-SG 3.05Å
171	T	94.1	Very high	93.7	Very high	27 Å²	27	53 Å²	53	17%	0.166	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-45.7	174.8	-54.5	0	0	0	0	111	L159 S162 K163 I167 P168 Q169 C174 V175	L159-T171 HydrophobicContact CD1-CG2 3.81Å; S162-T171 WeakPolarHBondContact CB-OG1 3.43Å; S162-T171 PolarHBondContact OG-OG1 3.36Å; K163-T171 HydrophobicContact CG-CG2 4.33Å; I167-T171 PolarHBondContact O-N 3.27Å; I167-T171 PolarHBondContact O-OG1 3.32Å; I167-T171 VanDerWaalsContact O-OG1 3.05Å; P168-T171 WeakPolarHBondContact O-CB 3.29Å; P168-T171 PolarHBondContact O-N 2.83Å; Q169-T171 VanDerWaalsContact C-N 3.34Å; T171-C174 PolarHBondContact O-N 2.85Å; T171-V175 WeakPolarHBondContact O-CG2 3.44Å; T171-V175 PolarHBondContact O-N 3.01Å
172	K	94.8	Very high	93.5	Very high	151 Å²	151	53.7 Å²	53.7	66%	0.657	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-44.3	175.8	-175.7	-176.3	176.4	-174.4	0	112.4	P168 Q169 V170 V175 Q176	P168-K172 WeakPolarHBondContact O-CB 3.27Å; P168-K172 PolarHBondContact O-N 3.34Å; Q169-K172 WeakPolarHBondContact O-CB 3.41Å; Q169-K172 PolarHBondContact O-N 3.29Å; V170-K172 VanDerWaalsContact C-N 3.31Å; V170-K172 PolarHBondContact O-N 3.07Å; K172-V175 PolarHBondContact O-N 3.36Å; K172-Q176 WeakPolarHBondContact O-CB 3.27Å; K172-Q176 PolarHBondContact O-N 3.03Å
173	L	95.7	Very high	93.3	Very high	64 Å²	64	55.5 Å²	55.5	34%	0.335	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-39.5	178.1	-69.1	170.3	0	0	0	111.9	Y142 V148 Q169 V170 Q176 F177	Y142-L173 HydrophobicContact CD2-CD1 4.4Å; Y142-L173 HydrophobicContact CE2-CD1 3.8Å; V148-L173 HydrophobicContact CG1-CB 4.14Å; V148-L173 HydrophobicContact CG1-CD1 3.81Å; Q169-L173 WeakPolarHBondContact O-CG 3.36Å; Q169-L173 PolarHBondContact O-N 3.41Å; V170-L173 PolarHBondContact O-N 2.92Å; V170-L173 VanDerWaalsContact O-N 3.17Å; L173-Q176 PolarHBondContact O-N 3.15Å; L173-F177 WeakPolarHBondContact O-CB 3.39Å; L173-F177 PolarHBondContact O-N 3.08Å
174	C	96.1	Very high	92.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-44.6	174.8	-63	0	0	0	0	112	V155 L159 V170 T171 F177 L178	V155-C174 HydrophobicContact CG2-CB 3.85Å; L159-C174 HydrophobicContact CB-CB 4.14Å; L159-C174 HydrophobicContact CD1-CB 4.08Å; V170-C174 PolarHBondContact O-N 2.78Å; V170-C174 PolarHBondContact O-SG 3.05Å; T171-C174 PolarHBondContact O-N 2.85Å; C174-F177 PolarHBondContact O-N 2.69Å; C174-L178 WeakPolarHBondContact O-CG 3.31Å; C174-L178 PolarHBondContact O-N 3.34Å
175	V	95.1	Very high	92.7	Very high	35 Å²	35	62.2 Å²	62.2	21%	0.212	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-41.9	176.2	172.6	0	0	0	0	111.5	T171 K172 L178 N179 L199	T171-V175 WeakPolarHBondContact O-CG2 3.44Å; T171-V175 PolarHBondContact O-N 3.01Å; K172-V175 PolarHBondContact O-N 3.36Å; V175-L178 PolarHBondContact O-N 3.35Å; V175-N179 VanDerWaalsContact O-CG 3.25Å; V175-N179 PolarHBondContact O-N 2.84Å; V175-N179 PolarHBondContact O-ND2 3.49Å; V175-L199 HydrophobicContact CG2-CD1 3.87Å; V175-L199 HydrophobicContact CG2-CD2 3.68Å; V175-L199 HydrophobicContact CG2-CG 4.39Å
176	Q	95.3	Very high	92.5	Very high	99 Å²	99	63.1 Å²	63.1	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-48.8	176.8	-179	173.6	-12.1	0	0	111.4	K172 L173 L178 N179 D180	K172-Q176 WeakPolarHBondContact O-CB 3.27Å; K172-Q176 PolarHBondContact O-N 3.03Å; L173-Q176 PolarHBondContact O-N 3.15Å; Q176-L178 VanDerWaalsContact C-N 3.31Å; Q176-L178 PolarHBondContact O-N 3.24Å; Q176-N179 PolarHBondContact O-N 3.48Å; Q176-N179 VanDerWaalsContact O-N 3.12Å; Q176-D180 WeakPolarHBondContact CG-OD2 3.43Å; Q176-D180 PolarHBondContact NE2-OD2 3.02Å; Q176-D180 WeakPolarHBondContact O-CB 3.36Å; Q176-D180 VanDerWaalsContact O-CG 3.28Å; Q176-D180 PolarHBondContact O-N 3.17Å
177	F	95.6	Very high	92.3	Very high	43 Å²	43	58.2 Å²	58.2	19%	0.189	30%	0.298	C	S	.	.	H	α-helix	trans	-55.6	-45	175.3	172.3	-92.2	0	0	0	112.1	L150 L152 V155 L173 C174 N179 D180 Q181	L150-F177 HydrophobicContact CB-CD1 4.06Å; L150-F177 HydrophobicContact CB-CD2 3.87Å; L150-F177 HydrophobicContact CB-CE1 4.24Å; L150-F177 HydrophobicContact CB-CE2 4.05Å; L150-F177 HydrophobicContact CB-CG 3.88Å; L150-F177 HydrophobicContact CB-CZ 4.24Å; L150-F177 HydrophobicContact CD1-CB 3.63Å; L150-F177 HydrophobicContact CD1-CD1 4.43Å; L150-F177 HydrophobicContact CD1-CD2 4.43Å; L150-F177 HydrophobicContact CD1-CG 3.92Å; L152-F177 HydrophobicContact CD2-CE1 4.32Å; V155-F177 HydrophobicContact CB-CD1 4.18Å; V155-F177 HydrophobicContact CB-CE1 4.22Å; V155-F177 HydrophobicContact CG1-CD1 4.47Å; V155-F177 HydrophobicContact CG1-CE1 4.28Å; V155-F177 HydrophobicContact CG2-CD1 3.99Å; L173-F177 WeakPolarHBondContact O-CB 3.39Å; L173-F177 PolarHBondContact O-N 3.08Å; C174-F177 PolarHBondContact O-N 2.69Å; F177-N179 VanDerWaalsContact C-N 3.35Å; F177-N179 PolarHBondContact O-N 3.07Å; F177-D180 PolarHBondContact O-N 3.43Å; F177-Q181 HydrophobicContact CD2-CG 4.03Å; F177-Q181 HydrophobicContact CE1-CG 4.37Å; F177-Q181 HydrophobicContact CE2-CG 3.76Å; F177-Q181 HydrophobicContact CG-CG 4.45Å; F177-Q181 HydrophobicContact CZ-CG 3.94Å; F177-Q181 WeakPolarHBondContact O-CB 3.4Å; F177-Q181 VanDerWaalsContact O-CG 3.26Å; F177-Q181 WeakPolarHBondContact O-CG 3.38Å; F177-Q181 PolarHBondContact O-N 3.4Å; F177-Q181 VanDerWaalsContact O-N 3.12Å
178	L	94.8	Very high	91.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-44.2	176.4	-74.8	169	0	0	0	111.9	V155 L159 C174 V175 Q176 I182 V190 I193 L199 T202	V155-L178 HydrophobicContact CG1-CD2 3.75Å; V155-L178 HydrophobicContact CG1-CG 4.4Å; V155-L178 HydrophobicContact CG2-CD1 4.32Å; V155-L178 HydrophobicContact CG2-CD2 4.29Å; V155-L178 HydrophobicContact CG2-CG 4.02Å; L159-L178 HydrophobicContact CD2-CD1 4.34Å; C174-L178 WeakPolarHBondContact O-CG 3.31Å; C174-L178 PolarHBondContact O-N 3.34Å; V175-L178 PolarHBondContact O-N 3.35Å; Q176-L178 VanDerWaalsContact C-N 3.31Å; Q176-L178 PolarHBondContact O-N 3.24Å; L178-I182 WeakPolarHBondContact O-CG1 3.43Å; L178-V190 HydrophobicContact CB-CG1 4.42Å; L178-V190 HydrophobicContact CD2-CG1 4.34Å; L178-V190 HydrophobicContact CD2-CG2 4.3Å; L178-I193 HydrophobicContact CD1-CG2 3.84Å; L178-I193 HydrophobicContact CD2-CD1 4.23Å; L178-I193 HydrophobicContact CD2-CG2 4.35Å; L178-L199 HydrophobicContact CD1-CD1 3.83Å; L178-T202 HydrophobicContact CB-CG2 3.98Å
179	N	93.9	Very high	91.6	Very high	50 Å²	50	64.2 Å²	64.2	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-67.6	-40.4	179	-69.1	-15.9	0	0	0	113	V175 Q176 F177 Q181 T202 L205	V175-N179 VanDerWaalsContact O-CG 3.25Å; V175-N179 PolarHBondContact O-N 2.84Å; V175-N179 PolarHBondContact O-ND2 3.49Å; Q176-N179 PolarHBondContact O-N 3.48Å; Q176-N179 VanDerWaalsContact O-N 3.12Å; F177-N179 VanDerWaalsContact C-N 3.35Å; F177-N179 PolarHBondContact O-N 3.07Å; N179-Q181 VanDerWaalsContact C-N 3.3Å; N179-Q181 PolarHBondContact O-N 3.19Å; N179-T202 WeakPolarHBondContact OD1-CA 3.38Å; N179-T202 VanDerWaalsContact OD1-CB 3.24Å; N179-T202 WeakPolarHBondContact OD1-CB 3.43Å; N179-T202 WeakPolarHBondContact OD1-CG2 3.32Å; N179-T202 PolarHBondContact OD1-OG1 3.04Å; N179-L205 HydrophobicContact CB-CD1 4.33Å
180	D	92.9	Very high	91.3	Very high	105 Å²	105	59.1 Å²	59.1	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-74.4	-20.5	-176.7	-67.6	-15.2	0	0	0	112.3	Q176 F177	Q176-D180 WeakPolarHBondContact CG-OD2 3.43Å; Q176-D180 PolarHBondContact NE2-OD2 3.02Å; Q176-D180 WeakPolarHBondContact O-CB 3.36Å; Q176-D180 VanDerWaalsContact O-CG 3.28Å; Q176-D180 PolarHBondContact O-N 3.17Å; F177-D180 PolarHBondContact O-N 3.43Å
181	Q	90.9	Very high	90.8	Very high	97 Å²	97	60.2 Å²	60.2	45%	0.453	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	0.8	-177.7	-64.3	-60.8	-62.2	0	0	114.8	F177 N179 S183 N186	F177-Q181 HydrophobicContact CD2-CG 4.03Å; F177-Q181 HydrophobicContact CE1-CG 4.37Å; F177-Q181 HydrophobicContact CE2-CG 3.76Å; F177-Q181 HydrophobicContact CG-CG 4.45Å; F177-Q181 HydrophobicContact CZ-CG 3.94Å; F177-Q181 WeakPolarHBondContact O-CB 3.4Å; F177-Q181 VanDerWaalsContact O-CG 3.26Å; F177-Q181 WeakPolarHBondContact O-CG 3.38Å; F177-Q181 PolarHBondContact O-N 3.4Å; F177-Q181 VanDerWaalsContact O-N 3.12Å; N179-Q181 VanDerWaalsContact C-N 3.3Å; N179-Q181 PolarHBondContact O-N 3.19Å; Q181-S183 PolarHBondContact O-N 3.37Å; Q181-N186 PolarHBondContact O-ND2 3.42Å; Q181-N186 PolarHBondContact O-OD1 2.8Å
182	I	91.4	Very high	90.3	Very high	16 Å²	16	65 Å²	65	8%	0.082	32%	0.319	C	S	.	.			trans	-63.7	126.4	-177.5	-47.4	-176.8	0	0	0	110.8	L178 V190 L205 A206 Y209	L178-I182 WeakPolarHBondContact O-CG1 3.43Å; I182-V190 HydrophobicContact CD1-CG1 4.14Å; I182-V190 HydrophobicContact CG1-CG1 4.1Å; I182-L205 HydrophobicContact CD1-CB 3.67Å; I182-A206 HydrophobicContact CD1-CB 4.21Å; I182-A206 HydrophobicContact CG2-CB 4.2Å; I182-Y209 HydrophobicContact CB-CD2 4.44Å; I182-Y209 HydrophobicContact CB-CE2 3.94Å; I182-Y209 HydrophobicContact CG2-CD2 3.42Å; I182-Y209 VanDerWaalsContact CG2-CD2 3.42Å; I182-Y209 HydrophobicContact CG2-CE2 3.39Å; I182-Y209 HydrophobicContact CG2-CG 4.41Å; I182-Y209 PolarHBondContact O-OH 2.97Å
183	S	88.5	Confident	89.9	Confident	38 Å²	38	57.9 Å²	57.9	27%	0.266	29%	0.288	S	S	.	.			trans	-145.2	166.4	177.4	71.4	0	0	0	0	111.8	Q181 Q185 N186 Y187	Q181-S183 PolarHBondContact O-N 3.37Å; S183-Q185 PolarHBondContact O-N 2.93Å; S183-Q185 PolarHBondContact OG-N 2.86Å; S183-N186 PolarHBondContact N-OD1 2.82Å; S183-N186 PolarHBondContact O-N 3.46Å; S183-N186 PolarHBondContact O-OD1 2.68Å; S183-N186 VanDerWaalsContact OG-CG 3.26Å; S183-N186 PolarHBondContact OG-ND2 3.04Å; S183-N186 VanDerWaalsContact OG-ND2 3.13Å; S183-N186 PolarHBondContact OG-OD1 3.48Å; S183-Y187 WeakPolarHBondContact O-CB 3.45Å; S183-Y187 PolarHBondContact O-N 3.36Å
184	V	83.1	Confident	89.5	Confident	91 Å²	91	54.8 Å²	54.8	55%	0.552	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.8	174.6	-173.5	0	0	0	0	112.5	Y187 Y209	V184-Y187 WeakPolarHBondContact O-CD1 3.44Å; V184-Y209 HydrophobicContact CG2-CD1 4.02Å; V184-Y209 HydrophobicContact CG2-CE1 4.46Å
185	Q	85.1	Confident	88.7	Confident	193 Å²	193	56.7 Å²	56.7	90%	0.902	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-26.3	-179	-63.3	179.2	3.8	0	0	113.9	S183	S183-Q185 PolarHBondContact O-N 2.93Å; S183-Q185 PolarHBondContact OG-N 2.86Å
186	N	88.2	Confident	88	Confident	20 Å²	20	58.1 Å²	58.1	11%	0.107	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-6	-169.6	67.5	26.9	0	0	0	115	L152 Q181 S183 K188 Q189 V190	L152-N186 HydrophobicContact CD1-CB 3.84Å; Q181-N186 PolarHBondContact O-ND2 3.42Å; Q181-N186 PolarHBondContact O-OD1 2.8Å; S183-N186 PolarHBondContact N-OD1 2.82Å; S183-N186 PolarHBondContact O-N 3.46Å; S183-N186 PolarHBondContact O-OD1 2.68Å; S183-N186 VanDerWaalsContact OG-CG 3.26Å; S183-N186 PolarHBondContact OG-ND2 3.04Å; S183-N186 VanDerWaalsContact OG-ND2 3.13Å; S183-N186 PolarHBondContact OG-OD1 3.48Å; N186-K188 PolarHBondContact O-N 3.38Å; N186-Q189 WeakPolarHBondContact O-CB 3.29Å; N186-Q189 PolarHBondContact O-N 3.32Å; N186-V190 PolarHBondContact O-N 3.07Å
187	Y	88.1	Confident	87.4	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-32.6	-175.6	80.6	-91.2	0	0	0	112.9	S183 V184 Q189 V190 C191 L210 D213	S183-Y187 WeakPolarHBondContact O-CB 3.45Å; S183-Y187 PolarHBondContact O-N 3.36Å; V184-Y187 WeakPolarHBondContact O-CD1 3.44Å; Y187-Q189 PolarHBondContact O-N 3Å; Y187-V190 PolarHBondContact O-N 2.84Å; Y187-C191 WeakPolarHBondContact O-CB 3.24Å; Y187-C191 PolarHBondContact O-N 2.83Å; Y187-C191 PolarHBondContact O-SG 3.04Å; Y187-C191 VanDerWaalsContact O-SG 3.38Å; Y187-L210 HydrophobicContact CD2-CB 4.18Å; Y187-L210 HydrophobicContact CE2-CB 3.54Å; Y187-L210 HydrophobicContact CE2-CD1 3.88Å; Y187-L210 HydrophobicContact CE2-CG 4.26Å; Y187-L210 WeakPolarHBondContact OH-CD1 3.41Å; Y187-D213 HydrophobicContact CE1-CB 4.36Å; Y187-D213 WeakPolarHBondContact OH-CB 3.42Å; Y187-D213 PolarHBondContact OH-OD2 3.07Å
188	K	84.4	Confident	86.8	Confident	132 Å²	132	55 Å²	55	57%	0.574	29%	0.293	S	S	*	.	H	α-helix	trans	-61.3	-41.6	176.6	-63.2	176.8	-175.8	168.8	0	111.7	N186 K192 D213	N186-K188 PolarHBondContact O-N 3.38Å; K188-K192 PolarHBondContact O-N 2.93Å; K188-D213 IonicContact NZ-OD2 2.87Å; K188-D213 PolarHBondContact NZ-OD2 3.27Å
189	Q	86.1	Confident	86.5	Confident	77 Å²	77	55.9 Å²	55.9	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-70.3	-43.4	175.1	-176.4	177.3	4.3	0	0	111	L152 N186 Y187 C191 K192 I193	L152-Q189 PolarHBondContact O-NE2 3.23Å; N186-Q189 WeakPolarHBondContact O-CB 3.29Å; N186-Q189 PolarHBondContact O-N 3.32Å; Y187-Q189 PolarHBondContact O-N 3Å; Q189-C191 PolarHBondContact O-N 2.83Å; Q189-K192 WeakPolarHBondContact O-CB 3.38Å; Q189-K192 PolarHBondContact O-N 3.2Å; Q189-I193 HydrophobicContact CG-CD1 4.02Å; Q189-I193 WeakPolarHBondContact O-CG1 3.46Å; Q189-I193 PolarHBondContact O-N 3.36Å
190	V	88.8	Confident	86.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-42.1	177.2	179.6	0	0	0	0	111.6	L152 L178 I182 N186 Y187 K192 I193 A194 T202 A206	L152-V190 HydrophobicContact CD2-CG2 4.4Å; L178-V190 HydrophobicContact CB-CG1 4.42Å; L178-V190 HydrophobicContact CD2-CG1 4.34Å; L178-V190 HydrophobicContact CD2-CG2 4.3Å; I182-V190 HydrophobicContact CD1-CG1 4.14Å; I182-V190 HydrophobicContact CG1-CG1 4.1Å; N186-V190 PolarHBondContact O-N 3.07Å; Y187-V190 PolarHBondContact O-N 2.84Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 3.44Å; V190-I193 PolarHBondContact O-N 3.42Å; V190-A194 WeakPolarHBondContact O-CB 3.48Å; V190-A194 PolarHBondContact O-N 2.77Å; V190-T202 HydrophobicContact CG1-CG2 3.58Å; V190-A206 HydrophobicContact CB-CB 4.36Å; V190-A206 HydrophobicContact CG1-CB 4.16Å
191	C	84.2	Confident	85.9	Confident	22 Å²	22	58.3 Å²	58.3	15%	0.149	30%	0.304	C	S	.	.	H	α-helix	trans	-56.6	-45.6	172.4	-78.3	0	0	0	0	111.8	Y187 Q189 A194 A195 A206 N207	Y187-C191 WeakPolarHBondContact O-CB 3.24Å; Y187-C191 PolarHBondContact O-N 2.83Å; Y187-C191 PolarHBondContact O-SG 3.04Å; Y187-C191 VanDerWaalsContact O-SG 3.38Å; Q189-C191 PolarHBondContact O-N 2.83Å; C191-A194 PolarHBondContact O-N 2.99Å; C191-A195 WeakPolarHBondContact O-CB 3.34Å; C191-A195 PolarHBondContact O-N 3.24Å; C191-A206 WeakPolarHBondContact SG-CB 3.39Å; C191-N207 PolarHBondContact SG-OD1 2.96Å; C191-N207 VanDerWaalsContact SG-OD1 3.38Å
192	K	82.8	Confident	85.9	Confident	129 Å²	129	53.8 Å²	53.8	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-60.8	-50.9	178.5	-174.1	-167.5	172.9	-160.1	0	111.5	K188 Q189 V190 A194 A195 L196	K188-K192 PolarHBondContact O-N 2.93Å; Q189-K192 WeakPolarHBondContact O-CB 3.38Å; Q189-K192 PolarHBondContact O-N 3.2Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 3.44Å; K192-A194 VanDerWaalsContact C-N 3.33Å; K192-A194 PolarHBondContact O-N 3.38Å; K192-A195 PolarHBondContact O-N 3.4Å; K192-L196 HydrophobicContact CD-CD1 4.49Å; K192-L196 HydrophobicContact CG-CD1 3.99Å; K192-L196 WeakPolarHBondContact O-CB 3.42Å; K192-L196 WeakPolarHBondContact O-CG 3.35Å; K192-L196 PolarHBondContact O-N 3.01Å
193	I	86.2	Confident	85.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-45	178.4	-64	169.4	0	0	0	110	V155 E156 L159 L178 Q189 V190 A195 L196 H197	V155-I193 HydrophobicContact CG1-CD1 4.1Å; E156-I193 HydrophobicContact CB-CD1 4.24Å; E156-I193 HydrophobicContact CB-CG1 4.16Å; E156-I193 HydrophobicContact CB-CG2 4.45Å; E156-I193 HydrophobicContact CG-CG1 4.26Å; E156-I193 HydrophobicContact CG-CG2 4.48Å; L159-I193 HydrophobicContact CD2-CG2 4.18Å; L178-I193 HydrophobicContact CD1-CG2 3.84Å; L178-I193 HydrophobicContact CD2-CD1 4.23Å; L178-I193 HydrophobicContact CD2-CG2 4.35Å; Q189-I193 HydrophobicContact CG-CD1 4.02Å; Q189-I193 WeakPolarHBondContact O-CG1 3.46Å; Q189-I193 PolarHBondContact O-N 3.36Å; V190-I193 PolarHBondContact O-N 3.42Å; I193-A195 PolarHBondContact O-N 3.45Å; I193-L196 PolarHBondContact O-N 3.4Å; I193-H197 WeakPolarHBondContact O-CB 3.34Å; I193-H197 PolarHBondContact O-CD2 3.25Å; I193-H197 VanDerWaalsContact O-CD2 3.25Å; I193-H197 PolarHBondContact O-N 2.92Å; I193-H197 VanDerWaalsContact O-N 3.08Å
194	A	87.4	Confident	85.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-41.5	179.8	0	0	0	0	0	112.4	V190 C191 K192 G198 L199 T202 K203	V190-A194 WeakPolarHBondContact O-CB 3.48Å; V190-A194 PolarHBondContact O-N 2.77Å; C191-A194 PolarHBondContact O-N 2.99Å; K192-A194 VanDerWaalsContact C-N 3.33Å; K192-A194 PolarHBondContact O-N 3.38Å; A194-G198 PolarHBondContact O-N 3.38Å; A194-L199 HydrophobicContact CB-CB 3.98Å; A194-L199 PolarHBondContact O-N 2.89Å; A194-T202 HydrophobicContact CB-CG2 3.99Å; A194-K203 HydrophobicContact CB-CB 3.81Å
195	A	78.9	Confident	85.6	Confident	40 Å²	40	57.4 Å²	57.4	33%	0.331	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-47.4	174.6	0	0	0	0	0	112.1	C191 K192 I193 H197 G198	C191-A195 WeakPolarHBondContact O-CB 3.34Å; C191-A195 PolarHBondContact O-N 3.24Å; K192-A195 PolarHBondContact O-N 3.4Å; I193-A195 PolarHBondContact O-N 3.45Å; A195-H197 PolarHBondContact O-N 2.94Å; A195-H197 VanDerWaalsContact O-N 3.16Å; A195-G198 PolarHBondContact O-N 3.34Å
196	L	80.8	Confident	85.7	Confident	64 Å²	64	48.2 Å²	48.2	34%	0.335	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-25.5	179.5	-75.5	172.1	0	0	0	114	E156 K192 I193	E156-L196 WeakPolarHBondContact OE1-CD1 3.49Å; K192-L196 HydrophobicContact CD-CD1 4.49Å; K192-L196 HydrophobicContact CG-CD1 3.99Å; K192-L196 WeakPolarHBondContact O-CB 3.42Å; K192-L196 WeakPolarHBondContact O-CG 3.35Å; K192-L196 PolarHBondContact O-N 3.01Å; I193-L196 PolarHBondContact O-N 3.4Å
197	H	83.8	Confident	85.5	Confident	26 Å²	26	50 Å²	50	12%	0.12	26%	0.256	C	S	.	.	H	α-helix	trans	-111.6	4.1	-179.2	-68.2	-68.3	0	0	0	114.9	L159 S160 K163 I193 A195 L199	L159-H197 HydrophobicContact CD2-CB 3.82Å; L159-H197 HydrophobicContact CG-CB 4.42Å; S160-H197 PolarHBondContact OG-CE1 3.44Å; K163-H197 PolarHBondContact NZ-O 3Å; I193-H197 WeakPolarHBondContact O-CB 3.34Å; I193-H197 PolarHBondContact O-CD2 3.25Å; I193-H197 VanDerWaalsContact O-CD2 3.25Å; I193-H197 PolarHBondContact O-N 2.92Å; I193-H197 VanDerWaalsContact O-N 3.08Å; A195-H197 PolarHBondContact O-N 2.94Å; A195-H197 VanDerWaalsContact O-N 3.16Å; H197-L199 HydrophobicContact CB-CD1 4.44Å; H197-L199 HydrophobicContact CB-CD2 4.49Å; H197-L199 HydrophobicContact CB-CG 4.04Å
198	G	83.3	Confident	85.3	Confident	50 Å²	50	56 Å²	56	52%	0.515	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	39.5	180	0	0	0	0	0	114.2	A194 A195 E200	A194-G198 PolarHBondContact O-N 3.38Å; A195-G198 PolarHBondContact O-N 3.34Å; G198-E200 PolarHBondContact O-N 3.19Å
199	L	87.8	Confident	85.4	Confident	20 Å²	20	53 Å²	53	11%	0.105	27%	0.268	C	S	.	.			trans	-93.9	72.1	179.2	-53.5	-178.2	0	0	0	111	L159 V175 L178 A194 H197 E201 T202 K203	L159-L199 HydrophobicContact CD2-CD1 3.8Å; V175-L199 HydrophobicContact CG2-CD1 3.87Å; V175-L199 HydrophobicContact CG2-CD2 3.68Å; V175-L199 HydrophobicContact CG2-CG 4.39Å; L178-L199 HydrophobicContact CD1-CD1 3.83Å; A194-L199 HydrophobicContact CB-CB 3.98Å; A194-L199 PolarHBondContact O-N 2.89Å; H197-L199 HydrophobicContact CB-CD1 4.44Å; H197-L199 HydrophobicContact CB-CD2 4.49Å; H197-L199 HydrophobicContact CB-CG 4.04Å; L199-E201 PolarHBondContact O-N 2.84Å; L199-T202 PolarHBondContact O-N 3.46Å; L199-K203 WeakPolarHBondContact O-CB 2.9Å; L199-K203 PolarHBondContact O-N 3.12Å
200	E	85.1	Confident	85.3	Confident	91 Å²	91	50 Å²	50	43%	0.425	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-36.8	-169.7	-64.8	-56.2	146.4	0	0	114.7	G198 K203 K204	G198-E200 PolarHBondContact O-N 3.19Å; E200-K203 PolarHBondContact O-N 3.48Å; E200-K203 IonicContact OE1-NZ 3.42Å; E200-K203 PolarHBondContact OE1-NZ 2.88Å; E200-K203 IonicContact OE2-NZ 2.69Å; E200-K203 PolarHBondContact OE2-NZ 3.11Å; E200-K204 VanDerWaalsContact O-CG 3.29Å; E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 3.25Å
201	E	89.3	Confident	85.1	Confident	115 Å²	115	52.5 Å²	52.5	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-70.3	-42.2	177.5	-60.1	-49.2	125.4	0	0	112.6	L199 K203 K204 L205	L199-E201 PolarHBondContact O-N 2.84Å; E201-K203 VanDerWaalsContact C-N 3.29Å; E201-K203 PolarHBondContact O-N 3.4Å; E201-K204 PolarHBondContact O-N 3.23Å; E201-K204 IonicContact OE1-NZ 2.8Å; E201-K204 PolarHBondContact OE1-NZ 3.23Å; E201-K204 IonicContact OE2-NZ 3.28Å; E201-K204 PolarHBondContact OE2-NZ 2.77Å; E201-L205 WeakPolarHBondContact O-CG 3.21Å; E201-L205 PolarHBondContact O-N 2.87Å
202	T	90.1	Very high	85.2	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-42	173.4	-57.5	0	0	0	0	111.1	L178 N179 V190 A194 L199 L205 A206	L178-T202 HydrophobicContact CB-CG2 3.98Å; N179-T202 WeakPolarHBondContact OD1-CA 3.38Å; N179-T202 VanDerWaalsContact OD1-CB 3.24Å; N179-T202 WeakPolarHBondContact OD1-CB 3.43Å; N179-T202 WeakPolarHBondContact OD1-CG2 3.32Å; N179-T202 PolarHBondContact OD1-OG1 3.04Å; V190-T202 HydrophobicContact CG1-CG2 3.58Å; A194-T202 HydrophobicContact CB-CG2 3.99Å; L199-T202 PolarHBondContact O-N 3.46Å; T202-L205 PolarHBondContact O-N 2.87Å; T202-A206 WeakPolarHBondContact O-CB 3.43Å; T202-A206 PolarHBondContact O-N 3.33Å
203	K	85.2	Confident	85.3	Confident	16 Å²	16	51.2 Å²	51.2	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-42.1	176	177.7	175.3	152.7	-159.5	0	112.2	A194 L199 E200 E201 A206 N207 E234	A194-K203 HydrophobicContact CB-CB 3.81Å; L199-K203 WeakPolarHBondContact O-CB 2.9Å; L199-K203 PolarHBondContact O-N 3.12Å; E200-K203 PolarHBondContact O-N 3.48Å; E200-K203 IonicContact OE1-NZ 3.42Å; E200-K203 PolarHBondContact OE1-NZ 2.88Å; E200-K203 IonicContact OE2-NZ 2.69Å; E200-K203 PolarHBondContact OE2-NZ 3.11Å; E201-K203 VanDerWaalsContact C-N 3.29Å; E201-K203 PolarHBondContact O-N 3.4Å; K203-A206 PolarHBondContact O-N 2.8Å; K203-N207 VanDerWaalsContact O-CB 3.27Å; K203-N207 WeakPolarHBondContact O-CB 3.27Å; K203-N207 PolarHBondContact O-N 3.28Å; K203-N207 PolarHBondContact O-ND2 3.27Å; K203-E234 WeakPolarHBondContact CE-OE1 3.18Å; K203-E234 WeakPolarHBondContact CE-OE2 3.16Å; K203-E234 IonicContact NZ-OE1 3.14Å; K203-E234 PolarHBondContact NZ-OE1 3.08Å; K203-E234 IonicContact NZ-OE2 2.78Å; K203-E234 PolarHBondContact NZ-OE2 2.92Å
204	K	85	Confident	85.5	Confident	119 Å²	119	51.4 Å²	51.4	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-44.4	172.7	-73.8	167.7	-173.6	171.8	0	112.2	E200 E201 N207 K208	E200-K204 VanDerWaalsContact O-CG 3.29Å; E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 3.25Å; E201-K204 PolarHBondContact O-N 3.23Å; E201-K204 IonicContact OE1-NZ 2.8Å; E201-K204 PolarHBondContact OE1-NZ 3.23Å; E201-K204 IonicContact OE2-NZ 3.28Å; E201-K204 PolarHBondContact OE2-NZ 2.77Å; K204-N207 PolarHBondContact O-N 2.94Å; K204-K208 PolarHBondContact O-N 3.16Å
205	L	87.6	Confident	85.7	Confident	86 Å²	86	53.1 Å²	53.1	45%	0.45	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-46.8	177.6	-69.4	171.4	0	0	0	111.6	N179 I182 E201 T202 N207 K208	N179-L205 HydrophobicContact CB-CD1 4.33Å; I182-L205 HydrophobicContact CD1-CB 3.67Å; E201-L205 WeakPolarHBondContact O-CG 3.21Å; E201-L205 PolarHBondContact O-N 2.87Å; T202-L205 PolarHBondContact O-N 2.87Å; L205-N207 VanDerWaalsContact C-N 3.35Å; L205-N207 PolarHBondContact O-N 3.46Å; L205-K208 VanDerWaalsContact O-CB 3.29Å; L205-K208 WeakPolarHBondContact O-CB 3.3Å; L205-K208 PolarHBondContact O-N 3.24Å; L205-K208 VanDerWaalsContact O-N 3.16Å
206	A	86.4	Confident	86.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-35.6	177.6	0	0	0	0	0	112.7	I182 V190 C191 T202 K203 K208 Y209 L210	I182-A206 HydrophobicContact CD1-CB 4.21Å; I182-A206 HydrophobicContact CG2-CB 4.2Å; V190-A206 HydrophobicContact CB-CB 4.36Å; V190-A206 HydrophobicContact CG1-CB 4.16Å; C191-A206 WeakPolarHBondContact SG-CB 3.39Å; T202-A206 WeakPolarHBondContact O-CB 3.43Å; T202-A206 PolarHBondContact O-N 3.33Å; K203-A206 PolarHBondContact O-N 2.8Å; A206-K208 PolarHBondContact O-N 2.96Å; A206-Y209 PolarHBondContact O-N 2.63Å; A206-L210 PolarHBondContact O-N 3.17Å
207	N	84.1	Confident	87	Confident	56 Å²	56	56.1 Å²	56.1	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-20.4	173.6	-76	-15.1	0	0	0	113.7	C191 K203 K204 L205 L210 V211	C191-N207 PolarHBondContact SG-OD1 2.96Å; C191-N207 VanDerWaalsContact SG-OD1 3.38Å; K203-N207 VanDerWaalsContact O-CB 3.27Å; K203-N207 WeakPolarHBondContact O-CB 3.27Å; K203-N207 PolarHBondContact O-N 3.28Å; K203-N207 PolarHBondContact O-ND2 3.27Å; K204-N207 PolarHBondContact O-N 2.94Å; L205-N207 VanDerWaalsContact C-N 3.35Å; L205-N207 PolarHBondContact O-N 3.46Å; N207-L210 WeakPolarHBondContact O-CB 3.38Å; N207-L210 PolarHBondContact O-N 3.46Å; N207-V211 PolarHBondContact O-N 3Å
208	K	85.2	Confident	87.6	Confident	130 Å²	130	58.6 Å²	58.6	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-63.6	-45.8	172.4	-169.7	-167.9	172.8	-145.5	0	111.1	K204 L205 A206 L210 V211 E212	K204-K208 PolarHBondContact O-N 3.16Å; L205-K208 VanDerWaalsContact O-CB 3.29Å; L205-K208 WeakPolarHBondContact O-CB 3.3Å; L205-K208 PolarHBondContact O-N 3.24Å; L205-K208 VanDerWaalsContact O-N 3.16Å; A206-K208 PolarHBondContact O-N 2.96Å; K208-L210 VanDerWaalsContact C-N 3.28Å; K208-L210 PolarHBondContact O-N 3.36Å; K208-V211 PolarHBondContact O-N 2.92Å; K208-V211 VanDerWaalsContact O-N 3.14Å; K208-E212 WeakPolarHBondContact CE-OE1 3.46Å; K208-E212 IonicContact NZ-OE1 2.76Å; K208-E212 PolarHBondContact NZ-OE1 3.21Å; K208-E212 PolarHBondContact O-N 2.78Å; K208-E212 VanDerWaalsContact O-N 3.12Å
209	Y	85.2	Confident	88.2	Confident	71 Å²	71	58 Å²	58	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-32.2	176.1	-66.1	-82.5	0	0	0	112.2	I182 V184 A206 V211 E212 D213	I182-Y209 HydrophobicContact CB-CD2 4.44Å; I182-Y209 HydrophobicContact CB-CE2 3.94Å; I182-Y209 HydrophobicContact CG2-CD2 3.42Å; I182-Y209 VanDerWaalsContact CG2-CD2 3.42Å; I182-Y209 HydrophobicContact CG2-CE2 3.39Å; I182-Y209 HydrophobicContact CG2-CG 4.41Å; I182-Y209 PolarHBondContact O-OH 2.97Å; V184-Y209 HydrophobicContact CG2-CD1 4.02Å; V184-Y209 HydrophobicContact CG2-CE1 4.46Å; A206-Y209 PolarHBondContact O-N 2.63Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 3.29Å; Y209-E212 PolarHBondContact O-N 3.19Å; Y209-D213 WeakPolarHBondContact O-CB 3.47Å; Y209-D213 PolarHBondContact O-N 3.19Å
210	L	84.6	Confident	88.6	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-43.1	171.2	178.4	59.8	0	0	0	112	Y187 A206 N207 K208 V214 V233 M242	Y187-L210 HydrophobicContact CD2-CB 4.18Å; Y187-L210 HydrophobicContact CE2-CB 3.54Å; Y187-L210 HydrophobicContact CE2-CD1 3.88Å; Y187-L210 HydrophobicContact CE2-CG 4.26Å; Y187-L210 WeakPolarHBondContact OH-CD1 3.41Å; A206-L210 PolarHBondContact O-N 3.17Å; N207-L210 WeakPolarHBondContact O-CB 3.38Å; N207-L210 PolarHBondContact O-N 3.46Å; K208-L210 VanDerWaalsContact C-N 3.28Å; K208-L210 PolarHBondContact O-N 3.36Å; L210-V214 HydrophobicContact CD1-CG2 4.07Å; L210-V214 HydrophobicContact CG-CG2 4.44Å; L210-V214 WeakPolarHBondContact O-CB 3.39Å; L210-V214 WeakPolarHBondContact O-CG2 2.99Å; L210-V214 PolarHBondContact O-N 2.8Å; L210-V233 HydrophobicContact CD2-CG1 3.49Å; L210-V233 VanDerWaalsContact CD2-CG1 3.49Å; L210-M242 HydrophobicContact CD1-CE 4.24Å; L210-M242 HydrophobicContact CD2-CE 4.03Å; L210-M242 HydrophobicContact CG-CE 3.99Å
211	V	84.2	Confident	89.1	Confident	52 Å²	52	62 Å²	62	32%	0.315	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-44.2	177.1	175.2	0	0	0	0	110.5	N207 K208 Y209 V214 L215 L245	N207-V211 PolarHBondContact O-N 3Å; K208-V211 PolarHBondContact O-N 2.92Å; K208-V211 VanDerWaalsContact O-N 3.14Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 3.29Å; V211-V214 PolarHBondContact O-N 3.35Å; V211-L215 WeakPolarHBondContact O-CG 3.26Å; V211-L215 PolarHBondContact O-N 3.32Å; V211-L215 VanDerWaalsContact O-N 3.09Å; V211-L245 HydrophobicContact CG1-CD1 4.21Å
212	E	85.8	Confident	89.4	Confident	80 Å²	80	56.5 Å²	56.5	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-44.7	177.5	-67.9	172.6	-167.4	0	0	112.3	K208 Y209 V214 L215	K208-E212 WeakPolarHBondContact CE-OE1 3.46Å; K208-E212 IonicContact NZ-OE1 2.76Å; K208-E212 PolarHBondContact NZ-OE1 3.21Å; K208-E212 PolarHBondContact O-N 2.78Å; K208-E212 VanDerWaalsContact O-N 3.12Å; Y209-E212 PolarHBondContact O-N 3.19Å; E212-V214 VanDerWaalsContact C-N 3.34Å; E212-V214 PolarHBondContact O-N 3.09Å; E212-L215 PolarHBondContact O-N 2.83Å
213	D	86.4	Confident	89.7	Confident	45 Å²	45	60.6 Å²	60.6	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-43	174.4	-161.5	36.6	0	0	0	111	Y187 K188 Y209 L215 L216	Y187-D213 HydrophobicContact CE1-CB 4.36Å; Y187-D213 WeakPolarHBondContact OH-CB 3.42Å; Y187-D213 PolarHBondContact OH-OD2 3.07Å; K188-D213 IonicContact NZ-OD2 2.87Å; K188-D213 PolarHBondContact NZ-OD2 3.27Å; Y209-D213 WeakPolarHBondContact O-CB 3.47Å; Y209-D213 PolarHBondContact O-N 3.19Å; D213-L215 PolarHBondContact O-N 3.01Å; D213-L216 PolarHBondContact O-N 3.31Å
214	V	89.4	Confident	90.1	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-40	-178.1	167.7	0	0	0	0	112.7	L210 V211 E212 L216 L217 M222 L225 M242	L210-V214 HydrophobicContact CD1-CG2 4.07Å; L210-V214 HydrophobicContact CG-CG2 4.44Å; L210-V214 WeakPolarHBondContact O-CB 3.39Å; L210-V214 WeakPolarHBondContact O-CG2 2.99Å; L210-V214 PolarHBondContact O-N 2.8Å; V211-V214 PolarHBondContact O-N 3.35Å; E212-V214 VanDerWaalsContact C-N 3.34Å; E212-V214 PolarHBondContact O-N 3.09Å; V214-L216 PolarHBondContact O-N 2.69Å; V214-L217 HydrophobicContact CG2-CD1 4.4Å; V214-L217 WeakPolarHBondContact O-CB 3.36Å; V214-L217 WeakPolarHBondContact O-CG 3.46Å; V214-L217 PolarHBondContact O-N 3.02Å; V214-L217 VanDerWaalsContact O-N 3.16Å; V214-M222 HydrophobicContact CG1-CE 4.29Å; V214-M222 HydrophobicContact CG1-SD 4.08Å; V214-L225 HydrophobicContact CG2-CD1 3.8Å; V214-M242 HydrophobicContact CB-CE 4.47Å; V214-M242 HydrophobicContact CG1-CB 4.49Å; V214-M242 HydrophobicContact CG1-CE 4.45Å; V214-M242 HydrophobicContact CG2-CE 3.49Å; V214-M242 VanDerWaalsContact CG2-CE 3.49Å
215	L	92.7	Very high	90.4	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-27.9	-178.7	-68	-177	0	0	0	113.1	V211 E212 D213 L245 H249 R254	V211-L215 WeakPolarHBondContact O-CG 3.26Å; V211-L215 PolarHBondContact O-N 3.32Å; V211-L215 VanDerWaalsContact O-N 3.09Å; E212-L215 PolarHBondContact O-N 2.83Å; D213-L215 PolarHBondContact O-N 3.01Å; L215-L245 HydrophobicContact CD2-CB 4.3Å; L215-H249 HydrophobicContact CD2-CB 3.84Å; L215-R254 PolarHBondContact O-NH1 3.33Å; L215-R254 PolarHBondContact O-NH2 2.73Å
216	L	92.3	Very high	90.7	Very high	138 Å²	138	54.3 Å²	54.3	72%	0.723	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.4	-179.5	-61.2	175.7	0	0	0	114	D213 V214	D213-L216 PolarHBondContact O-N 3.31Å; V214-L216 PolarHBondContact O-N 2.69Å
217	L	93.8	Very high	90.9	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.147	29%	0.29	C	S	.	.			trans	-64.7	146.7	-176	-59.5	-179.2	0	0	0	112.5	V214 E221 M222 L225 W246	V214-L217 HydrophobicContact CG2-CD1 4.4Å; V214-L217 WeakPolarHBondContact O-CB 3.36Å; V214-L217 WeakPolarHBondContact O-CG 3.46Å; V214-L217 PolarHBondContact O-N 3.02Å; V214-L217 VanDerWaalsContact O-N 3.16Å; L217-E221 WeakPolarHBondContact CA-OE2 3.4Å; L217-E221 HydrophobicContact CB-CB 3.98Å; L217-E221 HydrophobicContact CD2-CB 4.08Å; L217-E221 HydrophobicContact CG-CB 4.4Å; L217-M222 HydrophobicContact CB-CB 4.38Å; L217-M222 HydrophobicContact CD1-SD 4.41Å; L217-L225 HydrophobicContact CD1-CD1 3.73Å; L217-W246 PolarHBondContact O-NE1 3.32Å
218	N	95.4	Very high	91.1	Very high	79 Å²	79	56.9 Å²	56.9	42%	0.422	29%	0.287	S	S	.	.			trans	-79.7	173.8	165.6	76.8	61.8	0	0	0	111.7	E220 E221 M222	N218-E220 PolarHBondContact O-N 3.31Å; N218-E220 PolarHBondContact OD1-N 3Å; N218-E221 PolarHBondContact N-OE2 2.76Å; N218-E221 WeakPolarHBondContact ND2-CG 3.42Å; N218-E221 PolarHBondContact ND2-OE1 2.73Å; N218-E221 PolarHBondContact ND2-OE2 2.9Å; N218-E221 PolarHBondContact O-N 3.33Å; N218-E221 PolarHBondContact OD1-N 2.8Å; N218-E221 VanDerWaalsContact OD1-N 3.16Å; N218-M222 WeakPolarHBondContact O-CB 3.28Å; N218-M222 PolarHBondContact O-N 3.29Å
219	F	96.1	Very high	91.1	Very high	38 Å²	38	55 Å²	55	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-44.2	-177	170.3	-107.9	0	0	0	113.8	M222 R223 W246 Y257 D260 L261	F219-M222 PolarHBondContact O-N 3.11Å; F219-R223 WeakPolarHBondContact O-CB 3.35Å; F219-R223 PolarHBondContact O-N 3.34Å; F219-W246 HydrophobicContact CB-CH2 4.21Å; F219-W246 HydrophobicContact CD2-CH2 4.42Å; F219-Y257 HydrophobicContact CB-CD2 4.39Å; F219-Y257 HydrophobicContact CB-CE1 4.48Å; F219-Y257 HydrophobicContact CB-CE2 4.24Å; F219-Y257 HydrophobicContact CD1-CD1 4.23Å; F219-Y257 HydrophobicContact CD1-CE1 4.13Å; F219-Y257 AromaticContact CD2-CD1 3.48Å; F219-Y257 HydrophobicContact CD2-CD1 3.48Å; F219-Y257 VanDerWaalsContact CD2-CD1 3.48Å; F219-Y257 AromaticContact CD2-CD2 3.98Å; F219-Y257 HydrophobicContact CD2-CD2 3.98Å; F219-Y257 HydrophobicContact CD2-CE1 4.08Å; F219-Y257 AromaticContact CD2-CG 3.43Å; F219-Y257 HydrophobicContact CD2-CG 3.43Å; F219-Y257 VanDerWaalsContact CD2-CG 3.43Å; F219-Y257 HydrophobicContact CE1-CD1 4.27Å; F219-Y257 HydrophobicContact CE1-CE1 4.4Å; F219-Y257 AromaticContact CE2-CD1 3.54Å; F219-Y257 HydrophobicContact CE2-CD1 3.54Å; F219-Y257 HydrophobicContact CE2-CE1 4.37Å; F219-Y257 AromaticContact CE2-CG 3.75Å; F219-Y257 HydrophobicContact CE2-CG 3.75Å; F219-Y257 AromaticContact CG-CD1 3.84Å; F219-Y257 HydrophobicContact CG-CD1 3.84Å; F219-Y257 HydrophobicContact CG-CD2 4.34Å; F219-Y257 AromaticContact CG-CE1 3.95Å; F219-Y257 HydrophobicContact CG-CE1 3.95Å; F219-Y257 HydrophobicContact CG-CE2 4.44Å; F219-Y257 HydrophobicContact CG-CG 4.06Å; F219-Y257 AromaticContact CZ-CD1 3.94Å; F219-Y257 HydrophobicContact CZ-CD1 3.94Å; F219-D260 HydrophobicContact CZ-CB 4.4Å; F219-L261 HydrophobicContact CD2-CD2 4.24Å; F219-L261 HydrophobicContact CE2-CD2 3.93Å; F219-L261 HydrophobicContact CE2-CG 4.37Å
220	E	96.9	Very high	90.9	Very high	98 Å²	98	55.7 Å²	55.7	46%	0.458	30%	0.297	S	S	.	.	H	α-helix	trans	-72.6	-31.9	-178.2	-68.4	-64.3	158.8	0	0	111.9	N218 R223 A224	N218-E220 PolarHBondContact O-N 3.31Å; N218-E220 PolarHBondContact OD1-N 3Å; E220-R223 IonicContact OE1-NH1 2.76Å; E220-R223 PolarHBondContact OE1-NH1 2.88Å; E220-R223 WeakPolarHBondContact OE2-CD 3.31Å; E220-R223 IonicContact OE2-CZ 3.9Å; E220-R223 IonicContact OE2-NE 2.78Å; E220-R223 IonicContact OE2-NH1 3.48Å; E220-R223 PolarHBondContact OE2-NH1 3.31Å; E220-A224 WeakPolarHBondContact O-CB 3.4Å; E220-A224 PolarHBondContact O-N 3.25Å
221	E	95.4	Very high	90.8	Very high	95 Å²	95	56.3 Å²	56.3	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-67.8	-46.3	171.9	-71.6	166	166.6	0	0	111.9	L217 N218 R223 A224 L225	L217-E221 WeakPolarHBondContact CA-OE2 3.4Å; L217-E221 HydrophobicContact CB-CB 3.98Å; L217-E221 HydrophobicContact CD2-CB 4.08Å; L217-E221 HydrophobicContact CG-CB 4.4Å; N218-E221 PolarHBondContact N-OE2 2.76Å; N218-E221 WeakPolarHBondContact ND2-CG 3.42Å; N218-E221 PolarHBondContact ND2-OE1 2.73Å; N218-E221 PolarHBondContact ND2-OE2 2.9Å; N218-E221 PolarHBondContact O-N 3.33Å; N218-E221 PolarHBondContact OD1-N 2.8Å; N218-E221 VanDerWaalsContact OD1-N 3.16Å; E221-R223 VanDerWaalsContact C-N 3.33Å; E221-R223 PolarHBondContact O-N 2.99Å; E221-A224 PolarHBondContact O-N 3.19Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 2.73Å
222	M	95.6	Very high	90.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-39.9	176.8	-176.4	52.8	177	0	0	111.4	V214 L217 N218 F219 L225 L226 M242 W246 L261	V214-M222 HydrophobicContact CG1-CE 4.29Å; V214-M222 HydrophobicContact CG1-SD 4.08Å; L217-M222 HydrophobicContact CB-CB 4.38Å; L217-M222 HydrophobicContact CD1-SD 4.41Å; N218-M222 WeakPolarHBondContact O-CB 3.28Å; N218-M222 PolarHBondContact O-N 3.29Å; F219-M222 PolarHBondContact O-N 3.11Å; M222-L225 WeakPolarHBondContact O-CB 3.4Å; M222-L225 PolarHBondContact O-N 2.76Å; M222-L225 HydrophobicContact SD-CD2 4.31Å; M222-L226 HydrophobicContact CE-CD2 4.23Å; M222-L226 HydrophobicContact CE-CG 4.36Å; M222-L226 WeakPolarHBondContact O-CG 3.21Å; M222-L226 PolarHBondContact O-N 3.17Å; M222-M242 HydrophobicContact CE-CB 4.43Å; M222-W246 HydrophobicContact CB-CD2 4.39Å; M222-W246 HydrophobicContact CB-CZ2 4.42Å; M222-W246 HydrophobicContact CE-CB 4.14Å; M222-W246 HydrophobicContact CG-CD2 4Å; M222-W246 HydrophobicContact CG-CE3 4.41Å; M222-W246 HydrophobicContact CG-CG 4.1Å; M222-L261 HydrophobicContact CG-CD1 4.31Å; M222-L261 HydrophobicContact CG-CD2 4.27Å
223	R	95.8	Very high	90.1	Very high	88 Å²	88	53.5 Å²	53.5	33%	0.332	29%	0.291	S	S	.	.	H	α-helix	trans	-57.7	-48.6	170.7	176.6	-147	173.3	145.1	2.1	111.8	F219 E220 E221 L225 L226 D227 R264	F219-R223 WeakPolarHBondContact O-CB 3.35Å; F219-R223 PolarHBondContact O-N 3.34Å; E220-R223 IonicContact OE1-NH1 2.76Å; E220-R223 PolarHBondContact OE1-NH1 2.88Å; E220-R223 WeakPolarHBondContact OE2-CD 3.31Å; E220-R223 IonicContact OE2-CZ 3.9Å; E220-R223 IonicContact OE2-NE 2.78Å; E220-R223 IonicContact OE2-NH1 3.48Å; E220-R223 PolarHBondContact OE2-NH1 3.31Å; E221-R223 VanDerWaalsContact C-N 3.33Å; E221-R223 PolarHBondContact O-N 2.99Å; R223-L225 VanDerWaalsContact C-N 3.32Å; R223-L225 PolarHBondContact O-N 3.27Å; R223-L226 PolarHBondContact O-N 2.81Å; R223-D227 PolarHBondContact O-N 3.46Å; R223-R264 VanDerWaalsContact CG-CZ 3.42Å; R223-R264 VanDerWaalsContact CG-NE 3.35Å; R223-R264 VanDerWaalsContact NE-NH2 3.17Å
224	A	93.8	Very high	89.6	Confident	60 Å²	60	56 Å²	56	50%	0.496	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-37	177.8	0	0	0	0	0	112.2	E220 E221 D227 S228	E220-A224 WeakPolarHBondContact O-CB 3.4Å; E220-A224 PolarHBondContact O-N 3.25Å; E221-A224 PolarHBondContact O-N 3.19Å; A224-D227 PolarHBondContact O-N 2.93Å; A224-S228 PolarHBondContact O-N 2.87Å; A224-S228 VanDerWaalsContact O-N 3.09Å
225	L	92.3	Very high	89.5	Confident	30 Å²	30	58.5 Å²	58.5	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-45.1	172.2	-174.6	155.1	0	0	0	111.2	V214 L217 E221 M222 R223 D227 S228 P232 L239 M242	V214-L225 HydrophobicContact CG2-CD1 3.8Å; L217-L225 HydrophobicContact CD1-CD1 3.73Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 2.73Å; M222-L225 WeakPolarHBondContact O-CB 3.4Å; M222-L225 PolarHBondContact O-N 2.76Å; M222-L225 HydrophobicContact SD-CD2 4.31Å; R223-L225 VanDerWaalsContact C-N 3.32Å; R223-L225 PolarHBondContact O-N 3.27Å; L225-D227 VanDerWaalsContact C-N 3.3Å; L225-D227 PolarHBondContact O-N 3.29Å; L225-S228 WeakPolarHBondContact O-CB 3.48Å; L225-S228 PolarHBondContact O-N 3.46Å; L225-S228 PolarHBondContact O-OG 3.44Å; L225-P232 HydrophobicContact CD1-CG 4.45Å; L225-P232 HydrophobicContact CD2-CG 3.79Å; L225-P232 HydrophobicContact CG-CG 3.95Å; L225-L239 HydrophobicContact CD2-CD2 4.23Å; L225-M242 HydrophobicContact CD2-CE 4.25Å
226	L	92.9	Very high	89.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.4	-21.2	175.2	-64.7	-172.3	0	0	0	113.8	M222 R223 L239 L261 R264 L265 R319	M222-L226 HydrophobicContact CE-CD2 4.23Å; M222-L226 HydrophobicContact CE-CG 4.36Å; M222-L226 WeakPolarHBondContact O-CG 3.21Å; M222-L226 PolarHBondContact O-N 3.17Å; R223-L226 PolarHBondContact O-N 2.81Å; L226-L239 HydrophobicContact CD2-CB 4.11Å; L226-L239 HydrophobicContact CD2-CD2 4.06Å; L226-L261 HydrophobicContact CD1-CB 3.92Å; L226-L261 HydrophobicContact CD1-CD2 3.94Å; L226-L261 HydrophobicContact CD1-CG 4.43Å; L226-R264 HydrophobicContact CB-CB 3.99Å; L226-R264 HydrophobicContact CD1-CB 4.41Å; L226-L265 HydrophobicContact CD1-CD2 4.37Å; L226-L265 HydrophobicContact CD2-CD2 3.91Å; L226-R319 PolarHBondContact O-NH1 2.76Å; L226-R319 PolarHBondContact O-NH2 2.81Å
227	D	91.1	Very high	89.6	Confident	75 Å²	75	51.3 Å²	51.3	40%	0.401	28%	0.281	S	S	.	.	H	α-helix	trans	-86	-12.3	175	-73.3	-18	0	0	0	113.1	R223 A224 L225 R264	R223-D227 PolarHBondContact O-N 3.46Å; A224-D227 PolarHBondContact O-N 2.93Å; L225-D227 VanDerWaalsContact C-N 3.3Å; L225-D227 PolarHBondContact O-N 3.29Å; D227-R264 WeakPolarHBondContact OD1-CD 3.32Å; D227-R264 IonicContact OD1-CZ 3.53Å; D227-R264 IonicContact OD1-NE 3.66Å; D227-R264 IonicContact OD1-NH1 2.67Å; D227-R264 PolarHBondContact OD1-NH1 2.99Å; D227-R264 IonicContact OD2-CZ 2.96Å; D227-R264 IonicContact OD2-NH1 3.92Å; D227-R264 PolarHBondContact OD2-NH1 3.32Å
228	S	88.1	Confident	89.4	Confident	34 Å²	34	51.1 Å²	51.1	24%	0.238	28%	0.283	C	S	.	.			trans	-60.3	149.6	-173.8	66.3	0	0	0	0	115.3	A224 L225 P232 R319	A224-S228 PolarHBondContact O-N 2.87Å; A224-S228 VanDerWaalsContact O-N 3.09Å; L225-S228 WeakPolarHBondContact O-CB 3.48Å; L225-S228 PolarHBondContact O-N 3.46Å; L225-S228 PolarHBondContact O-OG 3.44Å; S228-P232 VanDerWaalsContact OG-CD 3.29Å; S228-P232 WeakPolarHBondContact OG-CD 3.43Å; S228-R319 PolarHBondContact O-NH1 2.95Å
229	L	85.8	Confident	89.3	Confident	90 Å²	90	47.4 Å²	47.4	47%	0.471	26%	0.263	S	S	.	.	S	Bend	trans	-145	111.1	-177	-170	73	0	0	0	109.5	R319 N321	L229-R319 HydrophobicContact CD1-CB 3.83Å; L229-R319 HydrophobicContact CD1-CG 4.48Å; L229-R319 WeakPolarHBondContact CD1-O 3.37Å; L229-N321 HydrophobicContact CD2-CB 4.48Å
230	P	80.1	Confident	89.3	Confident	87 Å²	87	45.8 Å²	45.8	57%	0.565	26%	0.256	S	S	*	.	S	Bend	cis	-64.9	158.9	-7.6	31.6	-37.2	0	0	0	112.3	S623	P230-S623 WeakPolarHBondContact CB-OG 3.31Å
231	P	81.9	Confident	89.2	Confident	25 Å²	25	44.1 Å²	44.1	16%	0.162	25%	0.248	C	C	.	.			trans	-69.3	156.1	175.5	30.6	-35.7	0	0	0	111.7	V233 L239 R319	P231-V233 WeakPolarHBondContact CG-O 3.39Å; P231-V233 PolarHBondContact O-N 2.66Å; P231-L239 HydrophobicContact CB-CD1 4.02Å; P231-L239 HydrophobicContact CB-CD2 4.39Å; P231-R319 HydrophobicContact CG-CB 4.22Å
232	P	76.2	Confident	89.1	Confident	57 Å²	57	40.2 Å²	40.2	37%	0.37	23%	0.23	S	C	.	.	S	Bend	trans	-71.3	-10.1	178.3	31.6	-39.6	0	0	0	114	L225 S228 L239	L225-P232 HydrophobicContact CD1-CG 4.45Å; L225-P232 HydrophobicContact CD2-CG 3.79Å; L225-P232 HydrophobicContact CG-CG 3.95Å; S228-P232 VanDerWaalsContact OG-CD 3.29Å; S228-P232 WeakPolarHBondContact OG-CD 3.43Å; P232-L239 HydrophobicContact CG-CD2 4.33Å
233	V	79.4	Confident	89.1	Confident	17 Å²	17	40.2 Å²	40.2	10%	0.103	23%	0.23	C	C	.	.	S	Bend	trans	-135.6	156.5	179.8	-64.6	0	0	0	0	110.8	L210 P231 S235 A238 L239 M242	L210-V233 HydrophobicContact CD2-CG1 3.49Å; L210-V233 VanDerWaalsContact CD2-CG1 3.49Å; P231-V233 WeakPolarHBondContact CG-O 3.39Å; P231-V233 PolarHBondContact O-N 2.66Å; V233-S235 VanDerWaalsContact C-N 3.3Å; V233-S235 PolarHBondContact O-N 3.25Å; V233-A238 HydrophobicContact CB-CB 3.88Å; V233-A238 HydrophobicContact CG2-CB 3.6Å; V233-L239 HydrophobicContact CG2-CD2 3.5Å; V233-L239 HydrophobicContact CG2-CG 3.65Å; V233-M242 HydrophobicContact CB-SD 4.26Å; V233-M242 HydrophobicContact CG1-CE 4.19Å; V233-M242 HydrophobicContact CG1-SD 3.51Å; V233-M242 VanDerWaalsContact CG1-SD 3.51Å; V233-M242 HydrophobicContact CG2-SD 3.73Å
234	E	76.8	Confident	89.2	Confident	98 Å²	98	37.3 Å²	37.3	46%	0.458	22%	0.222	S	C	.	.	S	Bend	trans	-77.8	-7.6	-163.1	-47.5	-174.9	135.5	0	0	114.9	K203 C624	K203-E234 WeakPolarHBondContact CE-OE1 3.18Å; K203-E234 WeakPolarHBondContact CE-OE2 3.16Å; K203-E234 IonicContact NZ-OE1 3.14Å; K203-E234 PolarHBondContact NZ-OE1 3.08Å; K203-E234 IonicContact NZ-OE2 2.78Å; K203-E234 PolarHBondContact NZ-OE2 2.92Å; E234-C624 HydrophobicContact CB-CB 4.13Å; E234-C624 HydrophobicContact CG-CB 4.17Å; E234-C624 VanDerWaalsContact CG-SG 3.6Å; E234-C624 PolarHBondContact OE1-SG 3.47Å
235	S	87.8	Confident	89.3	Confident	55 Å²	55	38.7 Å²	38.7	39%	0.385	22%	0.221	S	C	.	.			trans	-148.9	151.8	-177.9	66.4	0	0	0	0	113.5	V233 L237 A238 L239	V233-S235 VanDerWaalsContact C-N 3.3Å; V233-S235 PolarHBondContact O-N 3.25Å; S235-L237 PolarHBondContact O-N 3.36Å; S235-A238 WeakPolarHBondContact O-CB 3.34Å; S235-A238 PolarHBondContact O-N 3.16Å; S235-A238 VanDerWaalsContact O-N 3.07Å; S235-A238 PolarHBondContact OG-N 3.28Å; S235-L239 PolarHBondContact O-N 3.46Å; S235-L239 VanDerWaalsContact O-N 3.13Å
236	E	92.6	Very high	89.5	Confident	8 Å²	8	37.4 Å²	37.4	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-29.1	171.5	-67.9	-71.8	164.1	0	0	112.3	A238 L239 F240 L265 R266 L269 I270 R319	E236-A238 VanDerWaalsContact C-N 3.31Å; E236-A238 PolarHBondContact O-N 3.42Å; E236-L239 PolarHBondContact O-N 2.64Å; E236-F240 WeakPolarHBondContact O-CB 3.23Å; E236-F240 PolarHBondContact O-N 2.96Å; E236-L265 WeakPolarHBondContact OE2-CA 3.39Å; E236-R266 HydrophobicContact CG-CB 3.9Å; E236-R266 WeakPolarHBondContact OE1-CB 3.44Å; E236-R266 WeakPolarHBondContact OE1-CG 3.42Å; E236-R266 PolarHBondContact OE2-N 2.64Å; E236-L269 HydrophobicContact CB-CB 4.47Å; E236-L269 HydrophobicContact CG-CB 3.87Å; E236-L269 HydrophobicContact CG-CD1 3.89Å; E236-L269 HydrophobicContact CG-CG 4.34Å; E236-I270 HydrophobicContact CB-CD1 4.22Å; E236-I270 HydrophobicContact CB-CG1 3.77Å; E236-R319 VanDerWaalsContact OE1-CD 3.27Å; E236-R319 WeakPolarHBondContact OE1-CD 3.45Å; E236-R319 IonicContact OE1-CZ 2.93Å; E236-R319 IonicContact OE1-NE 2.73Å; E236-R319 PolarHBondContact OE1-NE 2.96Å; E236-R319 IonicContact OE1-NH2 3.29Å
237	L	93.6	Very high	89.7	Confident	16 Å²	16	37.4 Å²	37.4	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-35.1	174.1	-177.9	63.5	0	0	0	111.5	S235 Q241 I270 E274 R278 V279	S235-L237 PolarHBondContact O-N 3.36Å; L237-Q241 VanDerWaalsContact O-CG 3.31Å; L237-Q241 WeakPolarHBondContact O-CG 3.33Å; L237-Q241 PolarHBondContact O-N 3.41Å; L237-Q241 VanDerWaalsContact O-N 3.08Å; L237-Q241 PolarHBondContact O-NE2 3.37Å; L237-I270 HydrophobicContact CB-CD1 4.25Å; L237-I270 HydrophobicContact CB-CG1 4.21Å; L237-I270 HydrophobicContact CB-CG2 4.23Å; L237-I270 HydrophobicContact CD1-CD1 4.39Å; L237-I270 HydrophobicContact CD1-CG2 4.07Å; L237-E274 HydrophobicContact CD1-CB 4.44Å; L237-E274 HydrophobicContact CD2-CB 3.9Å; L237-E274 HydrophobicContact CD2-CG 3.87Å; L237-E274 WeakPolarHBondContact CD2-OE2 3.27Å; L237-R278 HydrophobicContact CD1-CB 4.16Å; L237-V279 HydrophobicContact CD1-CG2 4.25Å
238	A	90.1	Very high	90	Very high	23 Å²	23	37.5 Å²	37.5	19%	0.19	21%	0.212	C	C	.	.	H	α-helix	trans	-69.8	-43.6	172.3	0	0	0	0	0	111.4	V233 S235 E236 F240 Q241 M242	V233-A238 HydrophobicContact CB-CB 3.88Å; V233-A238 HydrophobicContact CG2-CB 3.6Å; S235-A238 WeakPolarHBondContact O-CB 3.34Å; S235-A238 PolarHBondContact O-N 3.16Å; S235-A238 VanDerWaalsContact O-N 3.07Å; S235-A238 PolarHBondContact OG-N 3.28Å; E236-A238 VanDerWaalsContact C-N 3.31Å; E236-A238 PolarHBondContact O-N 3.42Å; A238-F240 VanDerWaalsContact C-N 3.29Å; A238-F240 PolarHBondContact O-N 2.96Å; A238-Q241 PolarHBondContact O-N 3.23Å; A238-M242 VanDerWaalsContact O-CG 3.26Å; A238-M242 WeakPolarHBondContact O-CG 3.42Å; A238-M242 PolarHBondContact O-N 3.21Å
239	L	92.8	Very high	90.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-39.9	173.4	-67.3	174.5	0	0	0	112.2	L225 L226 P231 P232 V233 S235 E236 M242 S243 L265	L225-L239 HydrophobicContact CD2-CD2 4.23Å; L226-L239 HydrophobicContact CD2-CB 4.11Å; L226-L239 HydrophobicContact CD2-CD2 4.06Å; P231-L239 HydrophobicContact CB-CD1 4.02Å; P231-L239 HydrophobicContact CB-CD2 4.39Å; P232-L239 HydrophobicContact CG-CD2 4.33Å; V233-L239 HydrophobicContact CG2-CD2 3.5Å; V233-L239 HydrophobicContact CG2-CG 3.65Å; S235-L239 PolarHBondContact O-N 3.46Å; S235-L239 VanDerWaalsContact O-N 3.13Å; E236-L239 PolarHBondContact O-N 2.64Å; L239-M242 PolarHBondContact O-N 3.35Å; L239-S243 WeakPolarHBondContact O-CB 3.38Å; L239-S243 PolarHBondContact O-N 2.82Å; L239-S243 PolarHBondContact O-OG 3.08Å; L239-L265 HydrophobicContact CB-CD2 3.54Å; L239-L265 HydrophobicContact CD1-CD2 4.49Å
240	F	96.5	Very high	90.8	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-51.1	173.2	175.7	-103	0	0	0	111.8	E236 A238 M242 S243 V244 M262 L265 F267 R278 V279 V282 M285	E236-F240 WeakPolarHBondContact O-CB 3.23Å; E236-F240 PolarHBondContact O-N 2.96Å; A238-F240 VanDerWaalsContact C-N 3.29Å; A238-F240 PolarHBondContact O-N 2.96Å; F240-M242 VanDerWaalsContact C-N 3.34Å; F240-M242 PolarHBondContact O-N 3.42Å; F240-S243 WeakPolarHBondContact O-CA 3.31Å; F240-S243 WeakPolarHBondContact O-CB 3.28Å; F240-S243 PolarHBondContact O-N 2.98Å; F240-S243 VanDerWaalsContact O-N 3.09Å; F240-V244 HydrophobicContact CD1-CG2 4.31Å; F240-V244 HydrophobicContact CD2-CG2 4.42Å; F240-V244 HydrophobicContact CE1-CG2 3.82Å; F240-V244 HydrophobicContact CE2-CG2 3.94Å; F240-V244 HydrophobicContact CZ-CG2 3.63Å; F240-V244 WeakPolarHBondContact O-CG2 3.47Å; F240-V244 PolarHBondContact O-N 2.69Å; F240-M262 HydrophobicContact CD2-SD 3.72Å; F240-M262 HydrophobicContact CE2-SD 3.68Å; F240-L265 HydrophobicContact CB-CD1 3.9Å; F240-L265 HydrophobicContact CD2-CD1 3.78Å; F240-L265 HydrophobicContact CG-CD1 4.35Å; F240-F267 AromaticContact CD2-CE1 3.79Å; F240-F267 HydrophobicContact CD2-CE1 3.79Å; F240-F267 HydrophobicContact CD2-CZ 4.05Å; F240-F267 HydrophobicContact CE2-CE1 4.15Å; F240-F267 HydrophobicContact CE2-CZ 4.36Å; F240-F267 HydrophobicContact CG-CE1 4.48Å; F240-R278 WeakPolarHBondContact CE1-O 3.12Å; F240-V279 HydrophobicContact CD1-CG2 3.88Å; F240-V279 HydrophobicContact CE1-CB 4.19Å; F240-V279 HydrophobicContact CE1-CG1 4.3Å; F240-V279 HydrophobicContact CE1-CG2 3.88Å; F240-V279 HydrophobicContact CE2-CG1 3.98Å; F240-V279 HydrophobicContact CG-CG2 4.27Å; F240-V279 HydrophobicContact CZ-CB 4.22Å; F240-V279 HydrophobicContact CZ-CG1 3.86Å; F240-V279 HydrophobicContact CZ-CG2 4.28Å; F240-V282 HydrophobicContact CE1-CG2 3.95Å; F240-V282 HydrophobicContact CZ-CB 4.19Å; F240-V282 HydrophobicContact CZ-CG2 3.79Å; F240-M285 HydrophobicContact CE2-CG 3.92Å; F240-M285 HydrophobicContact CE2-SD 3.77Å; F240-M285 HydrophobicContact CZ-CG 3.89Å; F240-M285 HydrophobicContact CZ-SD 4.37Å
241	Q	94.5	Very high	91.6	Very high	64 Å²	64	41.7 Å²	41.7	30%	0.299	21%	0.213	S	C	.	.	H	α-helix	trans	-58.9	-43.2	177.3	-72.9	163.3	87.8	0	0	112.4	L237 A238 S243 V244 L245 R278	L237-Q241 VanDerWaalsContact O-CG 3.31Å; L237-Q241 WeakPolarHBondContact O-CG 3.33Å; L237-Q241 PolarHBondContact O-N 3.41Å; L237-Q241 VanDerWaalsContact O-N 3.08Å; L237-Q241 PolarHBondContact O-NE2 3.37Å; A238-Q241 PolarHBondContact O-N 3.23Å; Q241-S243 VanDerWaalsContact C-N 3.28Å; Q241-S243 PolarHBondContact O-N 3.47Å; Q241-V244 PolarHBondContact O-N 3.44Å; Q241-L245 WeakPolarHBondContact O-CB 3.37Å; Q241-L245 VanDerWaalsContact O-CG 3.29Å; Q241-L245 WeakPolarHBondContact O-CG 3.32Å; Q241-L245 PolarHBondContact O-N 3.26Å; Q241-R278 VanDerWaalsContact NE2-NH1 3.15Å
242	M	93	Very high	92.2	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.064	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-39	175.6	-67.9	165.7	78.4	0	0	111.5	L210 V214 M222 L225 V233 A238 L239 F240 L245 W246	L210-M242 HydrophobicContact CD1-CE 4.24Å; L210-M242 HydrophobicContact CD2-CE 4.03Å; L210-M242 HydrophobicContact CG-CE 3.99Å; V214-M242 HydrophobicContact CB-CE 4.47Å; V214-M242 HydrophobicContact CG1-CB 4.49Å; V214-M242 HydrophobicContact CG1-CE 4.45Å; V214-M242 HydrophobicContact CG2-CE 3.49Å; V214-M242 VanDerWaalsContact CG2-CE 3.49Å; M222-M242 HydrophobicContact CE-CB 4.43Å; L225-M242 HydrophobicContact CD2-CE 4.25Å; V233-M242 HydrophobicContact CB-SD 4.26Å; V233-M242 HydrophobicContact CG1-CE 4.19Å; V233-M242 HydrophobicContact CG1-SD 3.51Å; V233-M242 VanDerWaalsContact CG1-SD 3.51Å; V233-M242 HydrophobicContact CG2-SD 3.73Å; A238-M242 VanDerWaalsContact O-CG 3.26Å; A238-M242 WeakPolarHBondContact O-CG 3.42Å; A238-M242 PolarHBondContact O-N 3.21Å; L239-M242 PolarHBondContact O-N 3.35Å; F240-M242 VanDerWaalsContact C-N 3.34Å; F240-M242 PolarHBondContact O-N 3.42Å; M242-L245 PolarHBondContact O-N 3.05Å; M242-W246 WeakPolarHBondContact O-CB 3.33Å; M242-W246 PolarHBondContact O-N 3.12Å
243	S	96.5	Very high	93.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-45.5	175	-53.5	0	0	0	0	111.8	L239 F240 Q241 W246 L247	L239-S243 WeakPolarHBondContact O-CB 3.38Å; L239-S243 PolarHBondContact O-N 2.82Å; L239-S243 PolarHBondContact O-OG 3.08Å; F240-S243 WeakPolarHBondContact O-CA 3.31Å; F240-S243 WeakPolarHBondContact O-CB 3.28Å; F240-S243 PolarHBondContact O-N 2.98Å; F240-S243 VanDerWaalsContact O-N 3.09Å; Q241-S243 VanDerWaalsContact C-N 3.28Å; Q241-S243 PolarHBondContact O-N 3.47Å; S243-W246 PolarHBondContact O-N 3.25Å; S243-L247 WeakPolarHBondContact O-CB 3.49Å; S243-L247 WeakPolarHBondContact O-CD1 3.47Å; S243-L247 WeakPolarHBondContact O-CG 3.5Å; S243-L247 PolarHBondContact O-N 2.91Å
244	V	96.9	Very high	94	Very high	26 Å²	26	50.9 Å²	50.9	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-45.4	175.9	175.4	0	0	0	0	111.2	F240 Q241 W246 L247 E248 V282 F284	F240-V244 HydrophobicContact CD1-CG2 4.31Å; F240-V244 HydrophobicContact CD2-CG2 4.42Å; F240-V244 HydrophobicContact CE1-CG2 3.82Å; F240-V244 HydrophobicContact CE2-CG2 3.94Å; F240-V244 HydrophobicContact CZ-CG2 3.63Å; F240-V244 WeakPolarHBondContact O-CG2 3.47Å; F240-V244 PolarHBondContact O-N 2.69Å; Q241-V244 PolarHBondContact O-N 3.44Å; V244-W246 PolarHBondContact O-N 3.45Å; V244-L247 PolarHBondContact O-N 3.5Å; V244-E248 HydrophobicContact CG1-CG 4.32Å; V244-E248 WeakPolarHBondContact O-CG 3.14Å; V244-E248 PolarHBondContact O-N 2.97Å; V244-V282 HydrophobicContact CG2-CG1 4.34Å; V244-V282 HydrophobicContact CG2-CG2 4.36Å; V244-F284 HydrophobicContact CG2-CE1 4.16Å; V244-F284 HydrophobicContact CG2-CZ 3.94Å
245	L	95.6	Very high	95	Very high	89 Å²	89	48.2 Å²	48.2	47%	0.466	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-43.1	176.8	-72.8	169.6	0	0	0	111.9	V211 L215 Q241 M242 H249	V211-L245 HydrophobicContact CG1-CD1 4.21Å; L215-L245 HydrophobicContact CD2-CB 4.3Å; Q241-L245 WeakPolarHBondContact O-CB 3.37Å; Q241-L245 VanDerWaalsContact O-CG 3.29Å; Q241-L245 WeakPolarHBondContact O-CG 3.32Å; Q241-L245 PolarHBondContact O-N 3.26Å; M242-L245 PolarHBondContact O-N 3.05Å; L245-H249 WeakPolarHBondContact O-CB 3.45Å; L245-H249 PolarHBondContact O-N 3.36Å; L245-H249 VanDerWaalsContact O-N 3.12Å
246	W	97.2	Very high	95.4	Very high	4 Å²	4	52 Å²	52	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-42.6	176.3	-177.1	85.8	0	0	0	112.3	L217 F219 M222 M242 S243 V244 R254 Y257 L261	L217-W246 PolarHBondContact O-NE1 3.32Å; F219-W246 HydrophobicContact CB-CH2 4.21Å; F219-W246 HydrophobicContact CD2-CH2 4.42Å; M222-W246 HydrophobicContact CB-CD2 4.39Å; M222-W246 HydrophobicContact CB-CZ2 4.42Å; M222-W246 HydrophobicContact CE-CB 4.14Å; M222-W246 HydrophobicContact CG-CD2 4Å; M222-W246 HydrophobicContact CG-CE3 4.41Å; M222-W246 HydrophobicContact CG-CG 4.1Å; M242-W246 WeakPolarHBondContact O-CB 3.33Å; M242-W246 PolarHBondContact O-N 3.12Å; S243-W246 PolarHBondContact O-N 3.25Å; V244-W246 PolarHBondContact O-N 3.45Å; W246-R254 HydrophobicContact CE3-CB 4.19Å; W246-R254 HydrophobicContact CE3-CG 4.4Å; W246-R254 HydrophobicContact CH2-CB 4.05Å; W246-R254 HydrophobicContact CH2-CG 3.8Å; W246-R254 HydrophobicContact CZ2-CG 4.12Å; W246-R254 HydrophobicContact CZ3-CB 3.72Å; W246-R254 HydrophobicContact CZ3-CG 3.95Å; W246-R254 WeakPolarHBondContact O-CD 3.34Å; W246-R254 PolarHBondContact O-NH1 3.45Å; W246-Y257 AromaticContact CH2-CD2 3.96Å; W246-Y257 HydrophobicContact CH2-CD2 3.96Å; W246-Y257 HydrophobicContact CZ3-CD2 4.24Å; W246-L261 HydrophobicContact CE3-CD1 3.65Å; W246-L261 HydrophobicContact CZ3-CD1 3.71Å
247	L	97.7	Very high	95.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-45.5	178.8	-71.8	165.3	0	0	0	112.3	S243 V244 D250 R251 R254 M255 A258 L261 M262 F284	S243-L247 WeakPolarHBondContact O-CB 3.49Å; S243-L247 WeakPolarHBondContact O-CD1 3.47Å; S243-L247 WeakPolarHBondContact O-CG 3.5Å; S243-L247 PolarHBondContact O-N 2.91Å; V244-L247 PolarHBondContact O-N 3.5Å; L247-D250 CarbonylContact O-C 3.56Å; L247-R251 VanDerWaalsContact O-CA 3.26Å; L247-R251 WeakPolarHBondContact O-CA 3.18Å; L247-R251 PolarHBondContact O-N 2.9Å; L247-R254 HydrophobicContact CD2-CB 4.3Å; L247-R254 WeakPolarHBondContact CD2-O 3.17Å; L247-M255 HydrophobicContact CB-CE 4.17Å; L247-A258 HydrophobicContact CD1-CB 3.67Å; L247-A258 HydrophobicContact CD2-CB 4.03Å; L247-L261 HydrophobicContact CD2-CD1 4.12Å; L247-L261 HydrophobicContact CG-CD1 4.3Å; L247-M262 HydrophobicContact CD1-CE 4.15Å; L247-F284 HydrophobicContact CD1-CE1 3.91Å; L247-F284 HydrophobicContact CD1-CE2 4.44Å; L247-F284 HydrophobicContact CD1-CZ 3.71Å
248	E	96.6	Very high	95.9	Very high	77 Å²	77	54.6 Å²	54.6	36%	0.36	26%	0.261	S	S	.	.	H	α-helix	trans	-75	-22.8	-177.8	-67.5	-67.3	166.2	0	0	113.2	V244 D250 R251 M255	V244-E248 HydrophobicContact CG1-CG 4.32Å; V244-E248 WeakPolarHBondContact O-CG 3.14Å; V244-E248 PolarHBondContact O-N 2.97Å; E248-D250 VanDerWaalsContact C-N 3.29Å; E248-D250 PolarHBondContact O-N 3.45Å; E248-R251 IonicContact OE1-CZ 3.67Å; E248-R251 IonicContact OE1-NH1 2.73Å; E248-R251 PolarHBondContact OE1-NH1 3.4Å; E248-R251 WeakPolarHBondContact OE2-CD 3.29Å; E248-R251 IonicContact OE2-CZ 3.24Å; E248-R251 IonicContact OE2-NE 2.65Å; E248-R251 IonicContact OE2-NH1 3.53Å; E248-R251 PolarHBondContact OE2-NH1 2.92Å; E248-M255 WeakPolarHBondContact OE1-CE 3.33Å
249	H	96.1	Very high	96.2	Very high	108 Å²	108	54.6 Å²	54.6	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-32.6	178.8	-177.2	70.6	0	0	0	113.7	L215 L245	L215-H249 HydrophobicContact CD2-CB 3.84Å; L245-H249 WeakPolarHBondContact O-CB 3.45Å; L245-H249 PolarHBondContact O-N 3.36Å; L245-H249 VanDerWaalsContact O-N 3.12Å
250	D	95.3	Very high	96.5	Very high	58 Å²	58	57.7 Å²	57.7	31%	0.31	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	71.2	167.9	178	7.3	0	0	0	108.7	L247 E248 E252 T253 R254	L247-D250 CarbonylContact O-C 3.56Å; E248-D250 VanDerWaalsContact C-N 3.29Å; E248-D250 PolarHBondContact O-N 3.45Å; D250-E252 PolarHBondContact O-N 3.44Å; D250-T253 PolarHBondContact O-N 3.18Å; D250-T253 PolarHBondContact OD1-N 3.49Å; D250-T253 WeakPolarHBondContact OD2-CG2 3.06Å; D250-T253 PolarHBondContact OD2-OG1 3.04Å; D250-R254 HydrophobicContact CB-CG 4.06Å; D250-R254 WeakPolarHBondContact O-CB 3.03Å; D250-R254 VanDerWaalsContact O-CG 3.31Å; D250-R254 WeakPolarHBondContact O-CG 3.38Å; D250-R254 PolarHBondContact O-N 3.03Å
251	R	96.1	Very high	96.5	Very high	132 Å²	132	57.5 Å²	57.5	50%	0.498	28%	0.275	S	S	.	.	H	α-helix	trans	-56.1	-35.5	-173.9	-173.1	-178.9	179.8	121.4	-5.3	113.3	L247 E248 M255	L247-R251 VanDerWaalsContact O-CA 3.26Å; L247-R251 WeakPolarHBondContact O-CA 3.18Å; L247-R251 PolarHBondContact O-N 2.9Å; E248-R251 IonicContact OE1-CZ 3.67Å; E248-R251 IonicContact OE1-NH1 2.73Å; E248-R251 PolarHBondContact OE1-NH1 3.4Å; E248-R251 WeakPolarHBondContact OE2-CD 3.29Å; E248-R251 IonicContact OE2-CZ 3.24Å; E248-R251 IonicContact OE2-NE 2.65Å; E248-R251 IonicContact OE2-NH1 3.53Å; E248-R251 PolarHBondContact OE2-NH1 2.92Å; R251-M255 HydrophobicContact CG-CE 3.94Å; R251-M255 WeakPolarHBondContact O-CB 3.24Å; R251-M255 PolarHBondContact O-N 2.89Å
252	E	95.9	Very high	96.6	Very high	190 Å²	190	54.4 Å²	54.4	89%	0.888	26%	0.261	S	S	*	.	H	α-helix	trans	-68.7	-42.1	-175.9	-63.8	-170	171.7	0	0	111.9	D250	D250-E252 PolarHBondContact O-N 3.44Å
253	T	96.1	Very high	96.8	Very high	71 Å²	71	59.1 Å²	59.1	44%	0.436	28%	0.28	S	S	.	.	H	α-helix	trans	-91.9	-30.3	-179.6	81.2	0	0	0	0	113.3	D250 Q256	D250-T253 PolarHBondContact O-N 3.18Å; D250-T253 PolarHBondContact OD1-N 3.49Å; D250-T253 WeakPolarHBondContact OD2-CG2 3.06Å; D250-T253 PolarHBondContact OD2-OG1 3.04Å; T253-Q256 WeakPolarHBondContact O-CG 3.47Å; T253-Q256 PolarHBondContact O-NE2 3.48Å
254	R	97.5	Very high	96.7	Very high	31 Å²	31	62 Å²	62	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-93.3	-27.2	-168.5	-61.9	179.5	178.3	-174.5	-4.3	114.6	L215 W246 L247 D250 Q256 Y257	L215-R254 PolarHBondContact O-NH1 3.33Å; L215-R254 PolarHBondContact O-NH2 2.73Å; W246-R254 HydrophobicContact CE3-CB 4.19Å; W246-R254 HydrophobicContact CE3-CG 4.4Å; W246-R254 HydrophobicContact CH2-CB 4.05Å; W246-R254 HydrophobicContact CH2-CG 3.8Å; W246-R254 HydrophobicContact CZ2-CG 4.12Å; W246-R254 HydrophobicContact CZ3-CB 3.72Å; W246-R254 HydrophobicContact CZ3-CG 3.95Å; W246-R254 WeakPolarHBondContact O-CD 3.34Å; W246-R254 PolarHBondContact O-NH1 3.45Å; L247-R254 HydrophobicContact CD2-CB 4.3Å; L247-R254 WeakPolarHBondContact CD2-O 3.17Å; D250-R254 HydrophobicContact CB-CG 4.06Å; D250-R254 WeakPolarHBondContact O-CB 3.03Å; D250-R254 VanDerWaalsContact O-CG 3.31Å; D250-R254 WeakPolarHBondContact O-CG 3.38Å; D250-R254 PolarHBondContact O-N 3.03Å; R254-Q256 PolarHBondContact O-N 3.06Å; R254-Q256 VanDerWaalsContact O-N 3.09Å; R254-Y257 WeakPolarHBondContact O-CB 3.39Å; R254-Y257 WeakPolarHBondContact O-CD2 3.34Å; R254-Y257 PolarHBondContact O-N 3.03Å
255	M	97	Very high	96.7	Very high	43 Å²	43	60.9 Å²	60.9	21%	0.212	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-61	-26.2	-172	-167.6	59.6	64.7	0	0	113.6	L247 E248 R251 Y257 A258 F284	L247-M255 HydrophobicContact CB-CE 4.17Å; E248-M255 WeakPolarHBondContact OE1-CE 3.33Å; R251-M255 HydrophobicContact CG-CE 3.94Å; R251-M255 WeakPolarHBondContact O-CB 3.24Å; R251-M255 PolarHBondContact O-N 2.89Å; M255-Y257 PolarHBondContact O-N 2.9Å; M255-A258 WeakPolarHBondContact O-CB 3.44Å; M255-A258 PolarHBondContact O-N 2.8Å; M255-A258 VanDerWaalsContact O-N 3.13Å; M255-A258 HydrophobicContact SD-CB 4.08Å; M255-F284 HydrophobicContact CE-CD1 4.23Å; M255-F284 HydrophobicContact SD-CB 4.28Å; M255-F284 HydrophobicContact SD-CD1 3.75Å; M255-F284 HydrophobicContact SD-CE1 4.37Å; M255-F284 HydrophobicContact SD-CG 4.16Å
256	Q	96.3	Very high	96.6	Very high	134 Å²	134	58.9 Å²	58.9	63%	0.626	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-57.2	-26.7	172.3	67.5	-176.6	-42.8	0	0	113.9	T253 R254	T253-Q256 WeakPolarHBondContact O-CG 3.47Å; T253-Q256 PolarHBondContact O-NE2 3.48Å; R254-Q256 PolarHBondContact O-N 3.06Å; R254-Q256 VanDerWaalsContact O-N 3.09Å
257	Y	97.9	Very high	96.6	Very high	75 Å²	75	58.9 Å²	58.9	29%	0.294	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-86.8	-7.8	-179	-59.1	-61.1	0	0	0	113.7	F219 W246 R254 M255 P259 D260 L261	F219-Y257 HydrophobicContact CB-CD2 4.39Å; F219-Y257 HydrophobicContact CB-CE1 4.48Å; F219-Y257 HydrophobicContact CB-CE2 4.24Å; F219-Y257 HydrophobicContact CD1-CD1 4.23Å; F219-Y257 HydrophobicContact CD1-CE1 4.13Å; F219-Y257 AromaticContact CD2-CD1 3.48Å; F219-Y257 HydrophobicContact CD2-CD1 3.48Å; F219-Y257 VanDerWaalsContact CD2-CD1 3.48Å; F219-Y257 AromaticContact CD2-CD2 3.98Å; F219-Y257 HydrophobicContact CD2-CD2 3.98Å; F219-Y257 HydrophobicContact CD2-CE1 4.08Å; F219-Y257 AromaticContact CD2-CG 3.43Å; F219-Y257 HydrophobicContact CD2-CG 3.43Å; F219-Y257 VanDerWaalsContact CD2-CG 3.43Å; F219-Y257 HydrophobicContact CE1-CD1 4.27Å; F219-Y257 HydrophobicContact CE1-CE1 4.4Å; F219-Y257 AromaticContact CE2-CD1 3.54Å; F219-Y257 HydrophobicContact CE2-CD1 3.54Å; F219-Y257 HydrophobicContact CE2-CE1 4.37Å; F219-Y257 AromaticContact CE2-CG 3.75Å; F219-Y257 HydrophobicContact CE2-CG 3.75Å; F219-Y257 AromaticContact CG-CD1 3.84Å; F219-Y257 HydrophobicContact CG-CD1 3.84Å; F219-Y257 HydrophobicContact CG-CD2 4.34Å; F219-Y257 AromaticContact CG-CE1 3.95Å; F219-Y257 HydrophobicContact CG-CE1 3.95Å; F219-Y257 HydrophobicContact CG-CE2 4.44Å; F219-Y257 HydrophobicContact CG-CG 4.06Å; F219-Y257 AromaticContact CZ-CD1 3.94Å; F219-Y257 HydrophobicContact CZ-CD1 3.94Å; W246-Y257 AromaticContact CH2-CD2 3.96Å; W246-Y257 HydrophobicContact CH2-CD2 3.96Å; W246-Y257 HydrophobicContact CZ3-CD2 4.24Å; R254-Y257 WeakPolarHBondContact O-CB 3.39Å; R254-Y257 WeakPolarHBondContact O-CD2 3.34Å; R254-Y257 PolarHBondContact O-N 3.03Å; M255-Y257 PolarHBondContact O-N 2.9Å; Y257-P259 VanDerWaalsContact C-CD 3.48Å; Y257-D260 PolarHBondContact O-N 2.94Å; Y257-L261 PolarHBondContact O-N 2.91Å
258	A	97.8	Very high	96.4	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-52.1	-46.3	-176.2	0	0	0	0	0	113.2	L247 M255 D260 L261 M262 F284	L247-A258 HydrophobicContact CD1-CB 3.67Å; L247-A258 HydrophobicContact CD2-CB 4.03Å; M255-A258 WeakPolarHBondContact O-CB 3.44Å; M255-A258 PolarHBondContact O-N 2.8Å; M255-A258 VanDerWaalsContact O-N 3.13Å; M255-A258 HydrophobicContact SD-CB 4.08Å; A258-D260 VanDerWaalsContact C-N 3.31Å; A258-D260 PolarHBondContact O-N 2.96Å; A258-L261 PolarHBondContact O-N 3.36Å; A258-M262 WeakPolarHBondContact O-CB 3.48Å; A258-M262 VanDerWaalsContact O-CG 3.27Å; A258-M262 WeakPolarHBondContact O-CG 3.33Å; A258-M262 PolarHBondContact O-N 2.92Å; A258-F284 HydrophobicContact CB-CD2 3.97Å; A258-F284 HydrophobicContact CB-CE2 4.04Å; A258-F284 HydrophobicContact CB-CG 4.34Å; A258-F284 HydrophobicContact CB-CZ 4.45Å
259	P	97.8	Very high	96.3	Very high	24 Å²	24	57 Å²	57	16%	0.156	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-36.3	178.7	-24.7	36.9	0	0	0	113.7	Y257 K263 V290	Y257-P259 VanDerWaalsContact C-CD 3.48Å; P259-K263 WeakPolarHBondContact O-CE 3.08Å; P259-K263 VanDerWaalsContact O-CG 3.24Å; P259-K263 WeakPolarHBondContact O-CG 3.35Å; P259-K263 PolarHBondContact O-N 2.83Å; P259-V290 HydrophobicContact CB-CB 4.1Å; P259-V290 HydrophobicContact CB-CG1 4.39Å; P259-V290 HydrophobicContact CB-CG2 4.31Å
260	D	97.4	Very high	96.2	Very high	65 Å²	65	51.9 Å²	51.9	35%	0.348	24%	0.24	S	C	.	.	H	α-helix	trans	-82.7	-26.4	-177.2	-73.7	-43.2	0	0	0	113.5	F219 Y257 A258 K263 R264	F219-D260 HydrophobicContact CZ-CB 4.4Å; Y257-D260 PolarHBondContact O-N 2.94Å; A258-D260 VanDerWaalsContact C-N 3.31Å; A258-D260 PolarHBondContact O-N 2.96Å; D260-K263 IonicContact OD1-NZ 3.85Å; D260-K263 PolarHBondContact OD1-NZ 2.93Å; D260-R264 PolarHBondContact O-NE 3.24Å
261	L	97.4	Very high	96.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72.5	-46	167	-63.7	-176.8	0	0	0	110.8	F219 M222 L226 W246 L247 Y257 A258 K263 R264	F219-L261 HydrophobicContact CD2-CD2 4.24Å; F219-L261 HydrophobicContact CE2-CD2 3.93Å; F219-L261 HydrophobicContact CE2-CG 4.37Å; M222-L261 HydrophobicContact CG-CD1 4.31Å; M222-L261 HydrophobicContact CG-CD2 4.27Å; L226-L261 HydrophobicContact CD1-CB 3.92Å; L226-L261 HydrophobicContact CD1-CD2 3.94Å; L226-L261 HydrophobicContact CD1-CG 4.43Å; W246-L261 HydrophobicContact CE3-CD1 3.65Å; W246-L261 HydrophobicContact CZ3-CD1 3.71Å; L247-L261 HydrophobicContact CD2-CD1 4.12Å; L247-L261 HydrophobicContact CG-CD1 4.3Å; Y257-L261 PolarHBondContact O-N 2.91Å; A258-L261 PolarHBondContact O-N 3.36Å; L261-K263 VanDerWaalsContact C-N 3.3Å; L261-K263 PolarHBondContact O-N 2.81Å; L261-R264 WeakPolarHBondContact O-CB 3.28Å; L261-R264 PolarHBondContact O-N 2.82Å
262	M	97.4	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-35.6	-178	-68.5	-42.9	102.5	0	0	112.7	F240 L247 A258 R264 L265 F267 F284 M285 L294	F240-M262 HydrophobicContact CD2-SD 3.72Å; F240-M262 HydrophobicContact CE2-SD 3.68Å; L247-M262 HydrophobicContact CD1-CE 4.15Å; A258-M262 WeakPolarHBondContact O-CB 3.48Å; A258-M262 VanDerWaalsContact O-CG 3.27Å; A258-M262 WeakPolarHBondContact O-CG 3.33Å; A258-M262 PolarHBondContact O-N 2.92Å; M262-R264 PolarHBondContact O-N 3.14Å; M262-L265 HydrophobicContact CE-CD1 4.05Å; M262-L265 PolarHBondContact O-N 3.21Å; M262-L265 HydrophobicContact SD-CD1 3.64Å; M262-F267 HydrophobicContact CB-CE2 4.23Å; M262-F267 HydrophobicContact CB-CZ 4.3Å; M262-F267 HydrophobicContact CG-CZ 4.42Å; M262-F267 WeakPolarHBondContact O-CE2 3.4Å; M262-F267 HydrophobicContact SD-CZ 3.92Å; M262-F284 HydrophobicContact CE-CE2 4.16Å; M262-F284 HydrophobicContact CE-CZ 4.16Å; M262-F284 HydrophobicContact CG-CE2 3.84Å; M262-F284 HydrophobicContact SD-CE2 3.93Å; M262-F284 HydrophobicContact SD-CZ 4.3Å; M262-M285 HydrophobicContact CG-SD 3.81Å; M262-M285 HydrophobicContact SD-SD 3.9Å; M262-L294 HydrophobicContact CB-CD1 3.83Å
263	K	96.3	Very high	96	Very high	111 Å²	111	42.2 Å²	42.2	48%	0.483	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-20	174.7	-75.8	166.8	-155.9	169.6	0	114.4	P259 D260 L261 V290 L294	P259-K263 WeakPolarHBondContact O-CE 3.08Å; P259-K263 VanDerWaalsContact O-CG 3.24Å; P259-K263 WeakPolarHBondContact O-CG 3.35Å; P259-K263 PolarHBondContact O-N 2.83Å; D260-K263 IonicContact OD1-NZ 3.85Å; D260-K263 PolarHBondContact OD1-NZ 2.93Å; L261-K263 VanDerWaalsContact C-N 3.3Å; L261-K263 PolarHBondContact O-N 2.81Å; K263-V290 HydrophobicContact CD-CG1 4.46Å; K263-V290 HydrophobicContact CG-CG1 4.13Å; K263-L294 HydrophobicContact CG-CD1 4.28Å
264	R	95.3	Very high	96	Very high	60 Å²	60	41.9 Å²	41.9	23%	0.226	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-18.9	-177.9	-57.5	179.1	-179.2	-76.8	0.2	112.7	R223 L226 D227 D260 L261 M262 R319	R223-R264 VanDerWaalsContact CG-CZ 3.42Å; R223-R264 VanDerWaalsContact CG-NE 3.35Å; R223-R264 VanDerWaalsContact NE-NH2 3.17Å; L226-R264 HydrophobicContact CB-CB 3.99Å; L226-R264 HydrophobicContact CD1-CB 4.41Å; D227-R264 WeakPolarHBondContact OD1-CD 3.32Å; D227-R264 IonicContact OD1-CZ 3.53Å; D227-R264 IonicContact OD1-NE 3.66Å; D227-R264 IonicContact OD1-NH1 2.67Å; D227-R264 PolarHBondContact OD1-NH1 2.99Å; D227-R264 IonicContact OD2-CZ 2.96Å; D227-R264 IonicContact OD2-NH1 3.92Å; D227-R264 PolarHBondContact OD2-NH1 3.32Å; D260-R264 PolarHBondContact O-NE 3.24Å; L261-R264 WeakPolarHBondContact O-CB 3.28Å; L261-R264 PolarHBondContact O-N 2.82Å; M262-R264 PolarHBondContact O-N 3.14Å; R264-R319 PolarHBondContact O-NH2 2.86Å
265	L	95.4	Very high	96	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.206	C	C	.	.	S	Bend	trans	-81.1	138.1	-179.6	-59	176.6	0	0	0	110.5	L226 E236 L239 F240 M262 F267	L226-L265 HydrophobicContact CD1-CD2 4.37Å; L226-L265 HydrophobicContact CD2-CD2 3.91Å; E236-L265 WeakPolarHBondContact OE2-CA 3.39Å; L239-L265 HydrophobicContact CB-CD2 3.54Å; L239-L265 HydrophobicContact CD1-CD2 4.49Å; F240-L265 HydrophobicContact CB-CD1 3.9Å; F240-L265 HydrophobicContact CD2-CD1 3.78Å; F240-L265 HydrophobicContact CG-CD1 4.35Å; M262-L265 HydrophobicContact CE-CD1 4.05Å; M262-L265 PolarHBondContact O-N 3.21Å; M262-L265 HydrophobicContact SD-CD1 3.64Å; L265-F267 HydrophobicContact CB-CD2 4.17Å; L265-F267 HydrophobicContact CB-CE2 3.82Å; L265-F267 HydrophobicContact CB-CZ 4.06Å; L265-F267 HydrophobicContact CD1-CE2 4.47Å; L265-F267 HydrophobicContact CD1-CZ 3.97Å; L265-F267 PolarHBondContact O-N 2.84Å
266	R	95.1	Very high	95.9	Very high	47 Å²	47	41.8 Å²	41.8	18%	0.177	22%	0.217	C	C	.	.			trans	-96	69.6	-177.5	-54	-175.7	-174.7	-173.8	3.9	109.3	E236 A268 L269 L314 A315 R317 I318 R319	E236-R266 HydrophobicContact CG-CB 3.9Å; E236-R266 WeakPolarHBondContact OE1-CB 3.44Å; E236-R266 WeakPolarHBondContact OE1-CG 3.42Å; E236-R266 PolarHBondContact OE2-N 2.64Å; R266-A268 PolarHBondContact O-N 3.41Å; R266-L269 HydrophobicContact CB-CD1 3.87Å; R266-L269 HydrophobicContact CB-CG 3.99Å; R266-L269 WeakPolarHBondContact O-CB 3.32Å; R266-L269 PolarHBondContact O-N 3.06Å; R266-L314 VanDerWaalsContact CD-O 3.29Å; R266-L314 WeakPolarHBondContact CD-O 3.06Å; R266-L314 PolarHBondContact NE-O 3.19Å; R266-A315 CarbonylContact C-O 3.44Å; R266-A315 WeakPolarHBondContact CA-O 3.47Å; R266-A315 WeakPolarHBondContact CB-O 3.37Å; R266-R317 VanDerWaalsContact CD-O 3.27Å; R266-R317 WeakPolarHBondContact CD-O 3.18Å; R266-R317 PolarHBondContact NH1-O 3.36Å; R266-I318 VanDerWaalsContact NH1-C 3.27Å; R266-I318 PolarHBondContact NH1-O 3.27Å; R266-R319 VanDerWaalsContact CZ-CG 3.49Å
267	F	95.4	Very high	95.9	Very high	5 Å²	5	42 Å²	42	2%	0.022	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-52.8	-26.1	-173.9	-71.1	-80.9	0	0	0	114.6	F240 M262 L265 L269 I270 L275 V279 M285 L294 A298	F240-F267 AromaticContact CD2-CE1 3.79Å; F240-F267 HydrophobicContact CD2-CE1 3.79Å; F240-F267 HydrophobicContact CD2-CZ 4.05Å; F240-F267 HydrophobicContact CE2-CE1 4.15Å; F240-F267 HydrophobicContact CE2-CZ 4.36Å; F240-F267 HydrophobicContact CG-CE1 4.48Å; M262-F267 HydrophobicContact CB-CE2 4.23Å; M262-F267 HydrophobicContact CB-CZ 4.3Å; M262-F267 HydrophobicContact CG-CZ 4.42Å; M262-F267 WeakPolarHBondContact O-CE2 3.4Å; M262-F267 HydrophobicContact SD-CZ 3.92Å; L265-F267 HydrophobicContact CB-CD2 4.17Å; L265-F267 HydrophobicContact CB-CE2 3.82Å; L265-F267 HydrophobicContact CB-CZ 4.06Å; L265-F267 HydrophobicContact CD1-CE2 4.47Å; L265-F267 HydrophobicContact CD1-CZ 3.97Å; L265-F267 PolarHBondContact O-N 2.84Å; F267-L269 PolarHBondContact O-N 2.88Å; F267-I270 HydrophobicContact CD1-CD1 3.91Å; F267-I270 HydrophobicContact CE1-CD1 4.45Å; F267-I270 WeakPolarHBondContact O-CB 3.43Å; F267-I270 PolarHBondContact O-N 2.85Å; F267-L275 HydrophobicContact CB-CD2 4.29Å; F267-L275 HydrophobicContact CD1-CD2 4.06Å; F267-V279 HydrophobicContact CD1-CG1 4.03Å; F267-V279 HydrophobicContact CE1-CG1 3.59Å; F267-V279 HydrophobicContact CE1-CG2 4.45Å; F267-M285 HydrophobicContact CE1-CE 3.97Å; F267-M285 HydrophobicContact CE2-CE 4.44Å; F267-M285 HydrophobicContact CZ-CE 3.73Å; F267-M285 HydrophobicContact CZ-SD 4.34Å; F267-L294 HydrophobicContact CD2-CB 4.08Å; F267-L294 HydrophobicContact CE2-CB 4.07Å; F267-L294 HydrophobicContact CE2-CD1 4.26Å; F267-A298 HydrophobicContact CB-CB 3.57Å
268	A	94.9	Very high	95.8	Very high	7 Å²	7	43 Å²	43	6%	0.058	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-76.1	4.4	174.5	0	0	0	0	0	114.9	R266 Y301 A315 R401	R266-A268 PolarHBondContact O-N 3.41Å; A268-Y301 HydrophobicContact CB-CD1 3.53Å; A268-Y301 HydrophobicContact CB-CD2 4.4Å; A268-Y301 HydrophobicContact CB-CE1 3.82Å; A268-Y301 HydrophobicContact CB-CG 3.84Å; A268-A315 WeakPolarHBondContact CB-O 3.41Å; A268-A315 PolarHBondContact N-O 3.02Å; A268-R401 PolarHBondContact O-NH1 2.87Å
269	L	94.1	Very high	95.8	Very high	29 Å²	29	42.9 Å²	42.9	15%	0.152	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-103.6	1.6	163.9	-53	-177.2	0	0	0	112.7	E236 R266 F267 S316 R401 F402	E236-L269 HydrophobicContact CB-CB 4.47Å; E236-L269 HydrophobicContact CG-CB 3.87Å; E236-L269 HydrophobicContact CG-CD1 3.89Å; E236-L269 HydrophobicContact CG-CG 4.34Å; R266-L269 HydrophobicContact CB-CD1 3.87Å; R266-L269 HydrophobicContact CB-CG 3.99Å; R266-L269 WeakPolarHBondContact O-CB 3.32Å; R266-L269 PolarHBondContact O-N 3.06Å; F267-L269 PolarHBondContact O-N 2.88Å; L269-S316 WeakPolarHBondContact CD2-O 3.08Å; L269-R401 HydrophobicContact CD2-CB 4.26Å; L269-R401 HydrophobicContact CD2-CG 4.14Å; L269-F402 WeakPolarHBondContact O-CE1 3.23Å
270	I	94.7	Very high	95.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	-92.7	130.7	171.2	-59.2	-178.7	0	0	0	107.5	E236 L237 F267 E274 L275 V279 H302	E236-I270 HydrophobicContact CB-CD1 4.22Å; E236-I270 HydrophobicContact CB-CG1 3.77Å; L237-I270 HydrophobicContact CB-CD1 4.25Å; L237-I270 HydrophobicContact CB-CG1 4.21Å; L237-I270 HydrophobicContact CB-CG2 4.23Å; L237-I270 HydrophobicContact CD1-CD1 4.39Å; L237-I270 HydrophobicContact CD1-CG2 4.07Å; F267-I270 HydrophobicContact CD1-CD1 3.91Å; F267-I270 HydrophobicContact CE1-CD1 4.45Å; F267-I270 WeakPolarHBondContact O-CB 3.43Å; F267-I270 PolarHBondContact O-N 2.85Å; I270-E274 HydrophobicContact CG2-CB 3.7Å; I270-L275 HydrophobicContact CB-CD2 3.79Å; I270-L275 HydrophobicContact CB-CG 4.02Å; I270-L275 HydrophobicContact CD1-CD2 4.31Å; I270-L275 HydrophobicContact CG2-CD2 3.87Å; I270-L275 HydrophobicContact CG2-CG 3.88Å; I270-V279 HydrophobicContact CD1-CG2 4.1Å; I270-H302 PolarHBondContact O-CE1 2.88Å; I270-H302 PolarHBondContact O-NE2 2.8Å
271	P	93.3	Very high	95.7	Very high	55 Å²	55	45.5 Å²	45.5	36%	0.357	24%	0.236	S	C	.	.			trans	-56.1	144.3	176.8	-26.3	35.3	0	0	0	112.4	P273 E274 L275 F402	P271-P273 VanDerWaalsContact C-CD 3.48Å; P271-E274 HydrophobicContact CB-CB 4.44Å; P271-E274 HydrophobicContact CB-CG 4.12Å; P271-E274 HydrophobicContact CG-CG 4.28Å; P271-E274 WeakPolarHBondContact O-CB 3.44Å; P271-E274 PolarHBondContact O-N 3.28Å; P271-L275 PolarHBondContact O-N 2.78Å; P271-F402 HydrophobicContact CG-CD1 4.23Å; P271-F402 HydrophobicContact CG-CE1 4.01Å
272	A	94.1	Very high	95.7	Very high	43 Å²	43	46.7 Å²	46.7	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-56.2	-38.2	-176.4	0	0	0	0	0	115.1	L275 V276 H302	A272-L275 PolarHBondContact O-N 3.02Å; A272-V276 PolarHBondContact O-N 3.08Å; A272-H302 HydrophobicContact CB-CB 3.89Å
273	P	95.3	Very high	95.7	Very high	80 Å²	80	51 Å²	51	52%	0.519	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-44	173.3	-23.2	35.1	0	0	0	112.5	P271 L275 V276 E277	P271-P273 VanDerWaalsContact C-CD 3.48Å; P273-L275 VanDerWaalsContact C-N 3.32Å; P273-L275 PolarHBondContact O-N 2.83Å; P273-V276 PolarHBondContact O-N 2.83Å; P273-E277 PolarHBondContact O-N 3.42Å
274	E	96	Very high	95.7	Very high	63 Å²	63	46.4 Å²	46.4	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-33.7	179.5	-62.6	-76.6	-176.8	0	0	112.2	L237 I270 P271 V276 R278 V279	L237-E274 HydrophobicContact CD1-CB 4.44Å; L237-E274 HydrophobicContact CD2-CB 3.9Å; L237-E274 HydrophobicContact CD2-CG 3.87Å; L237-E274 WeakPolarHBondContact CD2-OE2 3.27Å; I270-E274 HydrophobicContact CG2-CB 3.7Å; P271-E274 HydrophobicContact CB-CB 4.44Å; P271-E274 HydrophobicContact CB-CG 4.12Å; P271-E274 HydrophobicContact CG-CG 4.28Å; P271-E274 WeakPolarHBondContact O-CB 3.44Å; P271-E274 PolarHBondContact O-N 3.28Å; E274-V276 VanDerWaalsContact C-N 3.31Å; E274-V276 PolarHBondContact O-N 3.07Å; E274-R278 WeakPolarHBondContact O-CA 3.22Å; E274-R278 WeakPolarHBondContact O-CB 3.12Å; E274-R278 PolarHBondContact O-N 2.6Å; E274-R278 WeakPolarHBondContact OE2-CD 3.43Å; E274-R278 WeakPolarHBondContact OE2-CG 3.33Å; E274-V279 PolarHBondContact O-N 2.84Å
275	L	96.4	Very high	95.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.235	C	C	.	.	I	π-helix	trans	-60.3	-40.1	171.3	-74.3	175	0	0	0	111.8	F267 I270 P271 A272 P273 V279 Q280 L295 A298	F267-L275 HydrophobicContact CB-CD2 4.29Å; F267-L275 HydrophobicContact CD1-CD2 4.06Å; I270-L275 HydrophobicContact CB-CD2 3.79Å; I270-L275 HydrophobicContact CB-CG 4.02Å; I270-L275 HydrophobicContact CD1-CD2 4.31Å; I270-L275 HydrophobicContact CG2-CD2 3.87Å; I270-L275 HydrophobicContact CG2-CG 3.88Å; P271-L275 PolarHBondContact O-N 2.78Å; A272-L275 PolarHBondContact O-N 3.02Å; P273-L275 VanDerWaalsContact C-N 3.32Å; P273-L275 PolarHBondContact O-N 2.83Å; L275-V279 HydrophobicContact CD2-CB 4.29Å; L275-V279 HydrophobicContact CD2-CG2 4.06Å; L275-V279 WeakPolarHBondContact O-CB 3.43Å; L275-V279 PolarHBondContact O-N 3.4Å; L275-Q280 WeakPolarHBondContact O-CB 3.41Å; L275-Q280 PolarHBondContact O-N 3.27Å; L275-L295 HydrophobicContact CB-CD1 4.4Å; L275-L295 HydrophobicContact CD2-CD1 4.28Å; L275-A298 HydrophobicContact CD1-CB 3.9Å; L275-A298 HydrophobicContact CD2-CB 4.49Å
276	V	95.6	Very high	95.8	Very high	72 Å²	72	49.1 Å²	49.1	44%	0.436	26%	0.256	S	S	.	.	I	π-helix	trans	-77.9	-48.4	-179.9	176.2	0	0	0	0	111.3	A272 P273 E274 M299	A272-V276 PolarHBondContact O-N 3.08Å; P273-V276 PolarHBondContact O-N 2.83Å; E274-V276 VanDerWaalsContact C-N 3.31Å; E274-V276 PolarHBondContact O-N 3.07Å; V276-M299 HydrophobicContact CG2-CE 4.26Å
277	E	96.5	Very high	95.9	Very high	137 Å²	137	52.2 Å²	52.2	64%	0.64	28%	0.28	S	S	*	.	I	π-helix	trans	-74.4	-35.8	-173.7	-68.9	177.4	-165.1	0	0	112.7	P273 S281	P273-E277 PolarHBondContact O-N 3.42Å; E277-S281 WeakPolarHBondContact O-CB 3.49Å; E277-S281 PolarHBondContact O-OG 2.68Å
278	R	96.6	Very high	96	Very high	98 Å²	98	53.9 Å²	53.9	37%	0.37	29%	0.289	S	S	.	.	I	π-helix	trans	-120.5	-25.5	-166.4	-53.2	-161.3	69.4	-147.1	-5.7	115.7	L237 F240 Q241 E274 S281	L237-R278 HydrophobicContact CD1-CB 4.16Å; F240-R278 WeakPolarHBondContact CE1-O 3.12Å; Q241-R278 VanDerWaalsContact NE2-NH1 3.15Å; E274-R278 WeakPolarHBondContact O-CA 3.22Å; E274-R278 WeakPolarHBondContact O-CB 3.12Å; E274-R278 PolarHBondContact O-N 2.6Å; E274-R278 WeakPolarHBondContact OE2-CD 3.43Å; E274-R278 WeakPolarHBondContact OE2-CG 3.33Å; R278-S281 WeakPolarHBondContact CA-OG 3.29Å; R278-S281 PolarHBondContact O-OG 2.75Å
279	V	97.6	Very high	96.1	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	I	π-helix	trans	-95.4	-51.6	177.3	-179.2	0	0	0	0	110.8	L237 F240 F267 I270 E274 L275 S281 V282 M285 L295	L237-V279 HydrophobicContact CD1-CG2 4.25Å; F240-V279 HydrophobicContact CD1-CG2 3.88Å; F240-V279 HydrophobicContact CE1-CB 4.19Å; F240-V279 HydrophobicContact CE1-CG1 4.3Å; F240-V279 HydrophobicContact CE1-CG2 3.88Å; F240-V279 HydrophobicContact CE2-CG1 3.98Å; F240-V279 HydrophobicContact CG-CG2 4.27Å; F240-V279 HydrophobicContact CZ-CB 4.22Å; F240-V279 HydrophobicContact CZ-CG1 3.86Å; F240-V279 HydrophobicContact CZ-CG2 4.28Å; F267-V279 HydrophobicContact CD1-CG1 4.03Å; F267-V279 HydrophobicContact CE1-CG1 3.59Å; F267-V279 HydrophobicContact CE1-CG2 4.45Å; I270-V279 HydrophobicContact CD1-CG2 4.1Å; E274-V279 PolarHBondContact O-N 2.84Å; L275-V279 HydrophobicContact CD2-CB 4.29Å; L275-V279 HydrophobicContact CD2-CG2 4.06Å; L275-V279 WeakPolarHBondContact O-CB 3.43Å; L275-V279 PolarHBondContact O-N 3.4Å; V279-S281 PolarHBondContact O-N 2.68Å; V279-V282 PolarHBondContact O-N 3.13Å; V279-M285 HydrophobicContact CG1-CE 3.77Å; V279-M285 HydrophobicContact CG1-CG 4.1Å; V279-M285 HydrophobicContact CG1-SD 4.42Å; V279-M285 WeakPolarHBondContact O-CB 3.36Å; V279-M285 WeakPolarHBondContact O-CG 3.42Å; V279-L295 HydrophobicContact CB-CD1 4.48Å; V279-L295 HydrophobicContact CG1-CD1 4.07Å
280	Q	96.9	Very high	96.3	Very high	72 Å²	72	59.2 Å²	59.2	34%	0.336	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.4	179.6	-174.3	176.8	12	0	0	113.1	L275 V282 R286 L295	L275-Q280 WeakPolarHBondContact O-CB 3.41Å; L275-Q280 PolarHBondContact O-N 3.27Å; Q280-V282 VanDerWaalsContact C-N 3.25Å; Q280-V282 PolarHBondContact O-N 3.48Å; Q280-R286 WeakPolarHBondContact O-CD 3.44Å; Q280-R286 VanDerWaalsContact O-CG 3.25Å; Q280-R286 WeakPolarHBondContact O-CG 3.42Å; Q280-R286 PolarHBondContact O-NE 2.91Å; Q280-L295 HydrophobicContact CB-CD2 3.8Å; Q280-L295 HydrophobicContact CG-CD2 3.96Å
281	S	96.3	Very high	96.4	Very high	71 Å²	71	59.1 Å²	59.1	50%	0.497	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.9	176.9	48.3	0	0	0	0	113.8	E277 R278 V279	E277-S281 WeakPolarHBondContact O-CB 3.49Å; E277-S281 PolarHBondContact O-OG 2.68Å; R278-S281 WeakPolarHBondContact CA-OG 3.29Å; R278-S281 PolarHBondContact O-OG 2.75Å; V279-S281 PolarHBondContact O-N 2.68Å
282	V	97.3	Very high	96.7	Very high	26 Å²	26	61.7 Å²	61.7	16%	0.158	33%	0.331	C	S	.	.	S	Bend	trans	-77.8	129.9	177.9	179.5	0	0	0	0	110.8	F240 V244 V279 Q280 F284 M285	F240-V282 HydrophobicContact CE1-CG2 3.95Å; F240-V282 HydrophobicContact CZ-CB 4.19Å; F240-V282 HydrophobicContact CZ-CG2 3.79Å; V244-V282 HydrophobicContact CG2-CG1 4.34Å; V244-V282 HydrophobicContact CG2-CG2 4.36Å; V279-V282 PolarHBondContact O-N 3.13Å; Q280-V282 VanDerWaalsContact C-N 3.25Å; Q280-V282 PolarHBondContact O-N 3.48Å; V282-F284 HydrophobicContact CG1-CD1 3.59Å; V282-F284 HydrophobicContact CG1-CE1 3.4Å; V282-F284 VanDerWaalsContact CG1-CE1 3.4Å; V282-F284 HydrophobicContact CG1-CG 4.26Å; V282-F284 HydrophobicContact CG1-CZ 3.92Å; V282-F284 PolarHBondContact O-N 3.26Å; V282-M285 HydrophobicContact CB-CB 4.45Å; V282-M285 HydrophobicContact CB-CG 4.03Å; V282-M285 HydrophobicContact CG1-CG 4.32Å; V282-M285 WeakPolarHBondContact O-CB 3.23Å; V282-M285 PolarHBondContact O-N 2.98Å; V282-M285 VanDerWaalsContact O-N 3.14Å
283	D	96.1	Very high	96.8	Very high	89 Å²	89	65.9 Å²	65.9	48%	0.476	34%	0.341	S	S	.	.	H	α-helix	trans	-57.8	-49.3	-170.7	-72.3	-17	0	0	0	113.9	M285 R286 T287	D283-M285 PolarHBondContact O-N 2.83Å; D283-R286 PolarHBondContact O-N 3.28Å; D283-R286 IonicContact OD1-CZ 2.69Å; D283-R286 IonicContact OD1-NH2 3.79Å; D283-R286 PolarHBondContact OD1-NH2 3.19Å; D283-T287 PolarHBondContact O-N 3.34Å; D283-T287 VanDerWaalsContact O-N 3.08Å; D283-T287 PolarHBondContact O-OG1 2.93Å
284	F	96.6	Very high	96.9	Very high	16 Å²	16	63.9 Å²	63.9	7%	0.07	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-24.2	-178.4	71.6	-104.1	0	0	0	112.8	V244 L247 M255 A258 M262 V282 R286 T287 D288 C291	V244-F284 HydrophobicContact CG2-CE1 4.16Å; V244-F284 HydrophobicContact CG2-CZ 3.94Å; L247-F284 HydrophobicContact CD1-CE1 3.91Å; L247-F284 HydrophobicContact CD1-CE2 4.44Å; L247-F284 HydrophobicContact CD1-CZ 3.71Å; M255-F284 HydrophobicContact CE-CD1 4.23Å; M255-F284 HydrophobicContact SD-CB 4.28Å; M255-F284 HydrophobicContact SD-CD1 3.75Å; M255-F284 HydrophobicContact SD-CE1 4.37Å; M255-F284 HydrophobicContact SD-CG 4.16Å; A258-F284 HydrophobicContact CB-CD2 3.97Å; A258-F284 HydrophobicContact CB-CE2 4.04Å; A258-F284 HydrophobicContact CB-CG 4.34Å; A258-F284 HydrophobicContact CB-CZ 4.45Å; M262-F284 HydrophobicContact CE-CE2 4.16Å; M262-F284 HydrophobicContact CE-CZ 4.16Å; M262-F284 HydrophobicContact CG-CE2 3.84Å; M262-F284 HydrophobicContact SD-CE2 3.93Å; M262-F284 HydrophobicContact SD-CZ 4.3Å; V282-F284 HydrophobicContact CG1-CD1 3.59Å; V282-F284 HydrophobicContact CG1-CE1 3.4Å; V282-F284 VanDerWaalsContact CG1-CE1 3.4Å; V282-F284 HydrophobicContact CG1-CG 4.26Å; V282-F284 HydrophobicContact CG1-CZ 3.92Å; V282-F284 PolarHBondContact O-N 3.26Å; F284-R286 PolarHBondContact O-N 3.24Å; F284-T287 PolarHBondContact O-N 2.73Å; F284-D288 WeakPolarHBondContact O-CB 3.44Å; F284-D288 PolarHBondContact O-N 3.29Å; F284-C291 HydrophobicContact CD2-CB 4.46Å
285	M	97.8	Very high	96.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-18.6	172.7	-65.6	-58.5	-56.4	0	0	112.9	F240 M262 F267 V279 V282 D283 C291 Q292 L295	F240-M285 HydrophobicContact CE2-CG 3.92Å; F240-M285 HydrophobicContact CE2-SD 3.77Å; F240-M285 HydrophobicContact CZ-CG 3.89Å; F240-M285 HydrophobicContact CZ-SD 4.37Å; M262-M285 HydrophobicContact CG-SD 3.81Å; M262-M285 HydrophobicContact SD-SD 3.9Å; F267-M285 HydrophobicContact CE1-CE 3.97Å; F267-M285 HydrophobicContact CE2-CE 4.44Å; F267-M285 HydrophobicContact CZ-CE 3.73Å; F267-M285 HydrophobicContact CZ-SD 4.34Å; V279-M285 HydrophobicContact CG1-CE 3.77Å; V279-M285 HydrophobicContact CG1-CG 4.1Å; V279-M285 HydrophobicContact CG1-SD 4.42Å; V279-M285 WeakPolarHBondContact O-CB 3.36Å; V279-M285 WeakPolarHBondContact O-CG 3.42Å; V282-M285 HydrophobicContact CB-CB 4.45Å; V282-M285 HydrophobicContact CB-CG 4.03Å; V282-M285 HydrophobicContact CG1-CG 4.32Å; V282-M285 WeakPolarHBondContact O-CB 3.23Å; V282-M285 PolarHBondContact O-N 2.98Å; V282-M285 VanDerWaalsContact O-N 3.14Å; D283-M285 PolarHBondContact O-N 2.83Å; M285-C291 HydrophobicContact CE-CB 4Å; M285-C291 WeakPolarHBondContact CE-O 3.48Å; M285-C291 HydrophobicContact SD-CB 3.73Å; M285-Q292 WeakPolarHBondContact O-CA 3.4Å; M285-Q292 PolarHBondContact O-N 3.33Å; M285-L295 HydrophobicContact CE-CB 4.1Å
286	R	95.6	Very high	96.9	Very high	120 Å²	120	65.9 Å²	65.9	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-101.7	-28.6	177.7	-61.9	-176.3	-71.3	127.7	-2.2	113.3	Q280 D283 F284 Q292	Q280-R286 WeakPolarHBondContact O-CD 3.44Å; Q280-R286 VanDerWaalsContact O-CG 3.25Å; Q280-R286 WeakPolarHBondContact O-CG 3.42Å; Q280-R286 PolarHBondContact O-NE 2.91Å; D283-R286 PolarHBondContact O-N 3.28Å; D283-R286 IonicContact OD1-CZ 2.69Å; D283-R286 IonicContact OD1-NH2 3.79Å; D283-R286 PolarHBondContact OD1-NH2 3.19Å; F284-R286 PolarHBondContact O-N 3.24Å; R286-Q292 PolarHBondContact O-NE2 3.07Å
287	T	96.1	Very high	96.9	Very high	111 Å²	111	65.9 Å²	65.9	68%	0.681	34%	0.336	S	S	*	.	H	α-helix	trans	-100.7	-30.5	-174	58.6	0	0	0	0	114.5	D283 F284	D283-T287 PolarHBondContact O-N 3.34Å; D283-T287 VanDerWaalsContact O-N 3.08Å; D283-T287 PolarHBondContact O-OG1 2.93Å; F284-T287 PolarHBondContact O-N 2.73Å
288	D	97.9	Very high	96.9	Very high	40 Å²	40	59.6 Å²	59.6	21%	0.214	31%	0.307	C	S	.	.	S	Bend	trans	-80.9	127.2	175.5	174.5	-99.9	0	0	0	111.1	F284 V290 C291 Q292	F284-D288 WeakPolarHBondContact O-CB 3.44Å; F284-D288 PolarHBondContact O-N 3.29Å; D288-V290 VanDerWaalsContact C-N 3.29Å; D288-V290 PolarHBondContact O-N 3.49Å; D288-V290 WeakPolarHBondContact OD1-CA 3.44Å; D288-V290 VanDerWaalsContact OD1-CB 3.29Å; D288-V290 WeakPolarHBondContact OD1-CB 3.37Å; D288-V290 PolarHBondContact OD1-N 3.37Å; D288-C291 HydrophobicContact CB-CB 4.04Å; D288-C291 PolarHBondContact O-N 3.04Å; D288-C291 PolarHBondContact OD1-N 3.17Å; D288-C291 PolarHBondContact OD1-SG 3.02Å; D288-Q292 VanDerWaalsContact O-CB 3.3Å; D288-Q292 WeakPolarHBondContact O-CB 3.35Å; D288-Q292 PolarHBondContact O-N 3.35Å
289	P	97.8	Very high	96.8	Very high	95 Å²	95	58.3 Å²	58.3	62%	0.617	31%	0.306	S	S	*	.	H	α-helix	trans	-62.1	-29.7	-176.7	-25.5	35	0	0	0	114.9	K293	P289-K293 WeakPolarHBondContact O-CB 3.36Å; P289-K293 PolarHBondContact O-N 3.18Å
290	V	97.9	Very high	96.6	Very high	53 Å²	53	61 Å²	61	32%	0.321	32%	0.32	S	S	.	.	H	α-helix	trans	-75.7	-48	179.1	-177.7	0	0	0	0	109.7	P259 K263 D288 Q292 K293 L294	P259-V290 HydrophobicContact CB-CB 4.1Å; P259-V290 HydrophobicContact CB-CG1 4.39Å; P259-V290 HydrophobicContact CB-CG2 4.31Å; K263-V290 HydrophobicContact CD-CG1 4.46Å; K263-V290 HydrophobicContact CG-CG1 4.13Å; D288-V290 VanDerWaalsContact C-N 3.29Å; D288-V290 PolarHBondContact O-N 3.49Å; D288-V290 WeakPolarHBondContact OD1-CA 3.44Å; D288-V290 VanDerWaalsContact OD1-CB 3.29Å; D288-V290 WeakPolarHBondContact OD1-CB 3.37Å; D288-V290 PolarHBondContact OD1-N 3.37Å; V290-Q292 VanDerWaalsContact C-N 3.35Å; V290-Q292 PolarHBondContact O-N 2.91Å; V290-K293 PolarHBondContact O-N 3.2Å; V290-L294 HydrophobicContact CG1-CD1 4.23Å; V290-L294 WeakPolarHBondContact O-CG 3.34Å; V290-L294 PolarHBondContact O-N 3.38Å
291	C	97.9	Very high	96.5	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-43.7	178	-58	0	0	0	0	111.4	F284 M285 D288 K293 L294 L295	F284-C291 HydrophobicContact CD2-CB 4.46Å; M285-C291 HydrophobicContact CE-CB 4Å; M285-C291 WeakPolarHBondContact CE-O 3.48Å; M285-C291 HydrophobicContact SD-CB 3.73Å; D288-C291 HydrophobicContact CB-CB 4.04Å; D288-C291 PolarHBondContact O-N 3.04Å; D288-C291 PolarHBondContact OD1-N 3.17Å; D288-C291 PolarHBondContact OD1-SG 3.02Å; C291-K293 VanDerWaalsContact C-N 3.34Å; C291-K293 PolarHBondContact O-N 3.06Å; C291-L294 PolarHBondContact O-N 3.25Å; C291-L295 PolarHBondContact O-N 3.03Å
292	Q	97.7	Very high	96.4	Very high	109 Å²	109	55.9 Å²	55.9	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-42.2	175.6	-175.3	-176.3	72.3	0	0	111.7	M285 R286 D288 V290 L295 L296	M285-Q292 WeakPolarHBondContact O-CA 3.4Å; M285-Q292 PolarHBondContact O-N 3.33Å; R286-Q292 PolarHBondContact O-NE2 3.07Å; D288-Q292 VanDerWaalsContact O-CB 3.3Å; D288-Q292 WeakPolarHBondContact O-CB 3.35Å; D288-Q292 PolarHBondContact O-N 3.35Å; V290-Q292 VanDerWaalsContact C-N 3.35Å; V290-Q292 PolarHBondContact O-N 2.91Å; Q292-L295 PolarHBondContact O-N 2.51Å; Q292-L296 WeakPolarHBondContact O-CB 3.48Å; Q292-L296 PolarHBondContact O-N 3.45Å
293	K	97.4	Very high	96.2	Very high	130 Å²	130	60.6 Å²	60.6	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-63.2	-46.2	175.7	-178.3	-179.3	174.9	-175.8	0	111.9	P289 V290 C291 L295 L296 D297	P289-K293 WeakPolarHBondContact O-CB 3.36Å; P289-K293 PolarHBondContact O-N 3.18Å; V290-K293 PolarHBondContact O-N 3.2Å; C291-K293 VanDerWaalsContact C-N 3.34Å; C291-K293 PolarHBondContact O-N 3.06Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 3.08Å; K293-L296 PolarHBondContact O-N 3.47Å; K293-D297 WeakPolarHBondContact CE-OD2 3.22Å; K293-D297 WeakPolarHBondContact O-CB 3.38Å; K293-D297 PolarHBondContact O-N 3.4Å
294	L	97.4	Very high	95.9	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.199	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-42	179.1	-70.1	168	0	0	0	111.9	M262 K263 F267 V290 C291 A298	M262-L294 HydrophobicContact CB-CD1 3.83Å; K263-L294 HydrophobicContact CG-CD1 4.28Å; F267-L294 HydrophobicContact CD2-CB 4.08Å; F267-L294 HydrophobicContact CE2-CB 4.07Å; F267-L294 HydrophobicContact CE2-CD1 4.26Å; V290-L294 HydrophobicContact CG1-CD1 4.23Å; V290-L294 WeakPolarHBondContact O-CG 3.34Å; V290-L294 PolarHBondContact O-N 3.38Å; C291-L294 PolarHBondContact O-N 3.25Å; L294-A298 WeakPolarHBondContact O-CB 3.38Å; L294-A298 PolarHBondContact O-N 3.47Å; L294-A298 VanDerWaalsContact O-N 3.1Å
295	L	96.5	Very high	95.7	Very high	10 Å²	10	62 Å²	62	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-46.7	174.5	177.8	60.1	0	0	0	111.7	L275 V279 Q280 M285 C291 Q292 K293 D297 A298 M299	L275-L295 HydrophobicContact CB-CD1 4.4Å; L275-L295 HydrophobicContact CD2-CD1 4.28Å; V279-L295 HydrophobicContact CB-CD1 4.48Å; V279-L295 HydrophobicContact CG1-CD1 4.07Å; Q280-L295 HydrophobicContact CB-CD2 3.8Å; Q280-L295 HydrophobicContact CG-CD2 3.96Å; M285-L295 HydrophobicContact CE-CB 4.1Å; C291-L295 PolarHBondContact O-N 3.03Å; Q292-L295 PolarHBondContact O-N 2.51Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 3.08Å; L295-D297 PolarHBondContact O-N 2.78Å; L295-A298 PolarHBondContact O-N 3.46Å; L295-M299 HydrophobicContact CD1-CG 4.29Å; L295-M299 HydrophobicContact CD1-SD 4.29Å; L295-M299 HydrophobicContact CG-SD 4.17Å; L295-M299 WeakPolarHBondContact O-CG 3.06Å; L295-M299 PolarHBondContact O-N 3.07Å
296	L	95.7	Very high	95.4	Very high	96 Å²	96	64.4 Å²	64.4	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-42.7	178.3	179.8	61.7	0	0	0	112.2	Q292 K293 A298 M299 N300	Q292-L296 WeakPolarHBondContact O-CB 3.48Å; Q292-L296 PolarHBondContact O-N 3.45Å; K293-L296 PolarHBondContact O-N 3.47Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.48Å; L296-M299 PolarHBondContact O-N 2.78Å; L296-N300 VanDerWaalsContact O-CB 3.31Å; L296-N300 WeakPolarHBondContact O-CB 3.23Å; L296-N300 VanDerWaalsContact O-CG 3.26Å; L296-N300 PolarHBondContact O-N 3.02Å; L296-N300 PolarHBondContact O-ND2 2.93Å; L296-N300 VanDerWaalsContact O-ND2 3.09Å
297	D	95.3	Very high	95.3	Very high	73 Å²	73	63 Å²	63	39%	0.39	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-39.1	176.8	-77.6	-26.2	0	0	0	111.3	K293 L295 Y301	K293-D297 WeakPolarHBondContact CE-OD2 3.22Å; K293-D297 WeakPolarHBondContact O-CB 3.38Å; K293-D297 PolarHBondContact O-N 3.4Å; L295-D297 PolarHBondContact O-N 2.78Å; D297-Y301 WeakPolarHBondContact O-CB 3.42Å; D297-Y301 PolarHBondContact O-N 3.38Å
298	A	95.6	Very high	95.2	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-48.2	173.4	0	0	0	0	0	112.4	F267 L275 L294 L295 L296 N300 Y301 H302	F267-A298 HydrophobicContact CB-CB 3.57Å; L275-A298 HydrophobicContact CD1-CB 3.9Å; L275-A298 HydrophobicContact CD2-CB 4.49Å; L294-A298 WeakPolarHBondContact O-CB 3.38Å; L294-A298 PolarHBondContact O-N 3.47Å; L294-A298 VanDerWaalsContact O-N 3.1Å; L295-A298 PolarHBondContact O-N 3.46Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.48Å; A298-N300 VanDerWaalsContact C-N 3.3Å; A298-N300 PolarHBondContact O-N 3.25Å; A298-Y301 WeakPolarHBondContact O-CA 3.35Å; A298-Y301 WeakPolarHBondContact O-CB 3.46Å; A298-Y301 PolarHBondContact O-N 2.81Å; A298-H302 PolarHBondContact O-CD2 2.86Å; A298-H302 PolarHBondContact O-N 2.95Å; A298-H302 VanDerWaalsContact O-N 3.07Å
299	M	94.6	Very high	95	Very high	71 Å²	71	56.4 Å²	56.4	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-57.5	-43.8	176.2	-68.7	178.1	80.1	0	0	111.5	V276 L295 L296 Y301 H302 L303	V276-M299 HydrophobicContact CG2-CE 4.26Å; L295-M299 HydrophobicContact CD1-CG 4.29Å; L295-M299 HydrophobicContact CD1-SD 4.29Å; L295-M299 HydrophobicContact CG-SD 4.17Å; L295-M299 WeakPolarHBondContact O-CG 3.06Å; L295-M299 PolarHBondContact O-N 3.07Å; L296-M299 PolarHBondContact O-N 2.78Å; M299-Y301 VanDerWaalsContact C-N 3.28Å; M299-Y301 PolarHBondContact O-N 2.85Å; M299-H302 PolarHBondContact O-N 2.9Å; M299-H302 VanDerWaalsContact O-N 3.15Å; M299-L303 PolarHBondContact O-N 2.84Å
300	N	94.1	Very high	94.7	Very high	56 Å²	56	54.5 Å²	54.5	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-30.4	174.9	-77.5	-36.9	0	0	0	113.6	L296 A298	L296-N300 VanDerWaalsContact O-CB 3.31Å; L296-N300 WeakPolarHBondContact O-CB 3.23Å; L296-N300 VanDerWaalsContact O-CG 3.26Å; L296-N300 PolarHBondContact O-N 3.02Å; L296-N300 PolarHBondContact O-ND2 2.93Å; L296-N300 VanDerWaalsContact O-ND2 3.09Å; A298-N300 VanDerWaalsContact C-N 3.3Å; A298-N300 PolarHBondContact O-N 3.25Å
301	Y	94.7	Very high	94.4	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-71.8	-34.2	174.1	177.2	-86.8	0	0	0	112.2	A268 D297 A298 M299 Q308 R311 Q312 R401	A268-Y301 HydrophobicContact CB-CD1 3.53Å; A268-Y301 HydrophobicContact CB-CD2 4.4Å; A268-Y301 HydrophobicContact CB-CE1 3.82Å; A268-Y301 HydrophobicContact CB-CG 3.84Å; D297-Y301 WeakPolarHBondContact O-CB 3.42Å; D297-Y301 PolarHBondContact O-N 3.38Å; A298-Y301 WeakPolarHBondContact O-CA 3.35Å; A298-Y301 WeakPolarHBondContact O-CB 3.46Å; A298-Y301 PolarHBondContact O-N 2.81Å; M299-Y301 VanDerWaalsContact C-N 3.28Å; M299-Y301 PolarHBondContact O-N 2.85Å; Y301-Q308 HydrophobicContact CD1-CG 4.09Å; Y301-Q308 HydrophobicContact CE1-CB 4.1Å; Y301-Q308 HydrophobicContact CE1-CG 3.65Å; Y301-Q308 HydrophobicContact CE2-CB 4.04Å; Y301-Q308 HydrophobicContact CE2-CG 4.2Å; Y301-Q308 WeakPolarHBondContact CE2-O 3.3Å; Y301-Q308 WeakPolarHBondContact O-CG 3.48Å; Y301-R311 HydrophobicContact CD2-CB 3.81Å; Y301-R311 HydrophobicContact CE2-CB 4.02Å; Y301-Q312 PolarHBondContact OH-NE2 3.01Å; Y301-R401 VanDerWaalsContact CE1-NH1 3.35Å; Y301-R401 PolarHBondContact OH-NH1 2.92Å; Y301-R401 PolarHBondContact OH-NH2 2.88Å
302	H	94.5	Very high	94	Very high	27 Å²	27	59.3 Å²	59.3	13%	0.125	29%	0.289	C	S	.	.	H	α-helix	trans	-79.8	-21.6	175.8	-72.3	-76.3	0	0	0	114.2	I270 A272 A298 M299 M304 F402	I270-H302 PolarHBondContact O-CE1 2.88Å; I270-H302 PolarHBondContact O-NE2 2.8Å; A272-H302 HydrophobicContact CB-CB 3.89Å; A298-H302 PolarHBondContact O-CD2 2.86Å; A298-H302 PolarHBondContact O-N 2.95Å; A298-H302 VanDerWaalsContact O-N 3.07Å; M299-H302 PolarHBondContact O-N 2.9Å; M299-H302 VanDerWaalsContact O-N 3.15Å; H302-M304 VanDerWaalsContact C-N 3.28Å; H302-M304 PolarHBondContact O-N 2.78Å; H302-F402 AromaticContact CE1-CE2 3.86Å; H302-F402 AromaticContact CE1-CZ 3.74Å
303	L	93.3	Very high	93.7	Very high	124 Å²	124	56.9 Å²	56.9	65%	0.649	28%	0.284	S	S	*	.	S	Bend	trans	-59.8	-30.8	-177.2	-171.3	66.4	0	0	0	114.5	M299	M299-L303 PolarHBondContact O-N 2.84Å
304	M	90.3	Very high	93.3	Very high	79 Å²	79	57.4 Å²	57.4	39%	0.389	29%	0.292	S	S	.	.			trans	-129.5	83	179.5	-66.5	-177.6	-176.7	0	0	110.5	H302 F306 R307	H302-M304 VanDerWaalsContact C-N 3.28Å; H302-M304 PolarHBondContact O-N 2.78Å; M304-F306 VanDerWaalsContact C-N 3.26Å; M304-F306 HydrophobicContact CB-CD1 4.43Å; M304-F306 HydrophobicContact CB-CE1 4.18Å; M304-F306 HydrophobicContact CG-CE1 4.47Å; M304-F306 PolarHBondContact O-N 3.03Å; M304-F306 VanDerWaalsContact O-N 3.16Å; M304-R307 HydrophobicContact CB-CB 4.19Å; M304-R307 HydrophobicContact CB-CG 4.41Å; M304-R307 PolarHBondContact O-N 2.93Å
305	P	91.8	Very high	92.8	Very high	55 Å²	55	57.6 Å²	57.6	36%	0.357	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-52.3	-41.4	-175	-30.2	36.6	0	0	0	113.7	R307 Q308 R397 I406	P305-R307 VanDerWaalsContact C-N 3.27Å; P305-R307 PolarHBondContact O-N 2.83Å; P305-Q308 WeakPolarHBondContact O-CB 3.27Å; P305-Q308 VanDerWaalsContact O-CG 3.31Å; P305-Q308 WeakPolarHBondContact O-CG 3.35Å; P305-Q308 PolarHBondContact O-N 2.96Å; P305-Q308 PolarHBondContact O-OE1 2.97Å; P305-R397 PolarHBondContact O-NH1 2.84Å; P305-R397 PolarHBondContact O-NH2 2.81Å; P305-I406 HydrophobicContact CB-CD1 4.23Å
306	F	92	Very high	92.6	Very high	52 Å²	52	57.1 Å²	57.1	23%	0.228	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-60.2	-33.8	179	76.4	-87.5	0	0	0	113	M304 H309 I406 L408 N450	M304-F306 VanDerWaalsContact C-N 3.26Å; M304-F306 HydrophobicContact CB-CD1 4.43Å; M304-F306 HydrophobicContact CB-CE1 4.18Å; M304-F306 HydrophobicContact CG-CE1 4.47Å; M304-F306 PolarHBondContact O-N 3.03Å; M304-F306 VanDerWaalsContact O-N 3.16Å; F306-H309 PolarHBondContact O-CE1 2.98Å; F306-H309 PolarHBondContact O-ND1 3.2Å; F306-I406 HydrophobicContact CB-CD1 4.38Å; F306-L408 HydrophobicContact CB-CD2 3.8Å; F306-N450 HydrophobicContact CD2-CB 3.52Å; F306-N450 HydrophobicContact CE2-CB 3.39Å; F306-N450 HydrophobicContact CG-CB 4.44Å; F306-N450 HydrophobicContact CZ-CB 4.26Å
307	R	92.4	Very high	92.3	Very high	90 Å²	90	58.7 Å²	58.7	34%	0.34	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-85	-1.7	-179.6	-68.6	-167.8	163.8	162.3	-6.9	115.1	M304 P305 H309 C310 R311 E448	M304-R307 HydrophobicContact CB-CB 4.19Å; M304-R307 HydrophobicContact CB-CG 4.41Å; M304-R307 PolarHBondContact O-N 2.93Å; P305-R307 VanDerWaalsContact C-N 3.27Å; P305-R307 PolarHBondContact O-N 2.83Å; R307-H309 PolarHBondContact O-N 3.32Å; R307-C310 WeakPolarHBondContact O-CB 3.36Å; R307-C310 PolarHBondContact O-N 2.89Å; R307-R311 PolarHBondContact O-N 2.76Å; R307-E448 PolarHBondContact NE-O 3.29Å; R307-E448 PolarHBondContact NH2-O 2.82Å
308	Q	95	Very high	92.1	Very high	8 Å²	8	56 Å²	56	4%	0.037	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.9	-175.2	-76.6	173.8	-33.5	0	0	113.4	Y301 P305 C310 R311 Q312 F374	Y301-Q308 HydrophobicContact CD1-CG 4.09Å; Y301-Q308 HydrophobicContact CE1-CB 4.1Å; Y301-Q308 HydrophobicContact CE1-CG 3.65Å; Y301-Q308 HydrophobicContact CE2-CB 4.04Å; Y301-Q308 HydrophobicContact CE2-CG 4.2Å; Y301-Q308 WeakPolarHBondContact CE2-O 3.3Å; Y301-Q308 WeakPolarHBondContact O-CG 3.48Å; P305-Q308 WeakPolarHBondContact O-CB 3.27Å; P305-Q308 VanDerWaalsContact O-CG 3.31Å; P305-Q308 WeakPolarHBondContact O-CG 3.35Å; P305-Q308 PolarHBondContact O-N 2.96Å; P305-Q308 PolarHBondContact O-OE1 2.97Å; Q308-C310 VanDerWaalsContact C-N 3.35Å; Q308-C310 PolarHBondContact O-N 2.89Å; Q308-R311 CarbonylContact O-C 3.55Å; Q308-R311 PolarHBondContact O-N 2.96Å; Q308-R311 VanDerWaalsContact O-N 3.08Å; Q308-Q312 PolarHBondContact O-NE2 2.86Å; Q308-F374 HydrophobicContact CB-CE1 4.34Å; Q308-F374 HydrophobicContact CB-CZ 3.81Å
309	H	93.1	Very high	91.7	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.023	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65	-36.9	176.9	67.7	-83.3	0	0	0	111.9	F306 R307 R311 V371 E372 F374 F376 L447	F306-H309 PolarHBondContact O-CE1 2.98Å; F306-H309 PolarHBondContact O-ND1 3.2Å; R307-H309 PolarHBondContact O-N 3.32Å; H309-R311 PolarHBondContact O-N 2.84Å; H309-V371 HydrophobicContact CB-CG1 4.28Å; H309-E372 HydrophobicContact CB-CB 4.26Å; H309-E372 WeakPolarHBondContact O-CG 3.22Å; H309-F374 HydrophobicContact CB-CD2 3.5Å; H309-F374 VanDerWaalsContact CB-CD2 3.5Å; H309-F374 HydrophobicContact CB-CE2 3.8Å; H309-F374 HydrophobicContact CB-CG 4.24Å; H309-F376 AromaticContact CE1-CZ 3.97Å; H309-F376 AromaticContact ND1-CZ 3.93Å; H309-L447 PolarHBondContact CE1-O 3Å; H309-L447 VanDerWaalsContact NE2-CB 3.35Å; H309-L447 WeakPolarHBondContact NE2-CB 3.5Å; H309-L447 PolarHBondContact NE2-O 3.22Å
310	C	91.9	Very high	91.3	Very high	54 Å²	54	54.1 Å²	54.1	37%	0.365	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-67.1	-15.8	172.5	-63.5	0	0	0	0	113.9	R307 Q308	R307-C310 WeakPolarHBondContact O-CB 3.36Å; R307-C310 PolarHBondContact O-N 2.89Å; Q308-C310 VanDerWaalsContact C-N 3.35Å; Q308-C310 PolarHBondContact O-N 2.89Å
311	R	90.8	Very high	90.8	Very high	119 Å²	119	57.8 Å²	57.8	45%	0.449	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-111.4	26.1	-174.5	-62.3	-173.3	69.7	148.3	3.1	112.9	Y301 R307 Q308 H309	Y301-R311 HydrophobicContact CD2-CB 3.81Å; Y301-R311 HydrophobicContact CE2-CB 4.02Å; R307-R311 PolarHBondContact O-N 2.76Å; Q308-R311 CarbonylContact O-C 3.55Å; Q308-R311 PolarHBondContact O-N 2.96Å; Q308-R311 VanDerWaalsContact O-N 3.08Å; H309-R311 PolarHBondContact O-N 2.84Å
312	Q	90.9	Very high	90.4	Very high	36 Å²	36	60.9 Å²	60.9	17%	0.168	31%	0.306	C	S	.	.			trans	-65.4	136.9	178.6	-76.8	-41.2	-68.9	0	0	113.2	Y301 Q308 S316 E372	Y301-Q312 PolarHBondContact OH-NE2 3.01Å; Q308-Q312 PolarHBondContact O-NE2 2.86Å; Q312-S316 WeakPolarHBondContact CA-OG 3.4Å; Q312-S316 VanDerWaalsContact CD-OG 3.23Å; Q312-S316 PolarHBondContact NE2-OG 2.83Å; Q312-S316 PolarHBondContact OE1-O 3.28Å; Q312-S316 PolarHBondContact OE1-OG 2.96Å; Q312-E372 HydrophobicContact CG-CB 3.6Å; Q312-E372 HydrophobicContact CG-CG 4.29Å
313	S	91	Very high	90.2	Very high	58 Å²	58	64.8 Å²	64.8	41%	0.406	32%	0.323	S	S	.	.			trans	-148.6	179.1	172.7	67.9	0	0	0	0	109.7	A315 S316 R317	S313-A315 PolarHBondContact O-N 3.29Å; S313-A315 PolarHBondContact OG-N 2.99Å; S313-S316 PolarHBondContact N-OG 2.95Å; S313-S316 PolarHBondContact O-N 2.84Å; S313-S316 VanDerWaalsContact O-N 3.16Å; S313-S316 PolarHBondContact O-OG 2.81Å; S313-R317 WeakPolarHBondContact O-CG 3.33Å; S313-R317 PolarHBondContact O-N 2.79Å
314	L	87.4	Confident	90.2	Very high	141 Å²	141	59.7 Å²	59.7	74%	0.738	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.1	171.3	-66.6	174.3	0	0	0	112.6	R266 S316	R266-L314 VanDerWaalsContact CD-O 3.29Å; R266-L314 WeakPolarHBondContact CD-O 3.06Å; R266-L314 PolarHBondContact NE-O 3.19Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 3.22Å
315	A	88.4	Confident	90.5	Very high	41 Å²	41	56.1 Å²	56.1	34%	0.339	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5	-179.1	0	0	0	0	0	114.8	R266 A268 S313	R266-A315 CarbonylContact C-O 3.44Å; R266-A315 WeakPolarHBondContact CA-O 3.47Å; R266-A315 WeakPolarHBondContact CB-O 3.37Å; A268-A315 WeakPolarHBondContact CB-O 3.41Å; A268-A315 PolarHBondContact N-O 3.02Å; S313-A315 PolarHBondContact O-N 3.29Å; S313-A315 PolarHBondContact OG-N 2.99Å
316	S	90.9	Very high	90.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-10.3	-177.9	66.1	0	0	0	0	115	L269 Q312 S313 L314 R401	L269-S316 WeakPolarHBondContact CD2-O 3.08Å; Q312-S316 WeakPolarHBondContact CA-OG 3.4Å; Q312-S316 VanDerWaalsContact CD-OG 3.23Å; Q312-S316 PolarHBondContact NE2-OG 2.83Å; Q312-S316 PolarHBondContact OE1-O 3.28Å; Q312-S316 PolarHBondContact OE1-OG 2.96Å; S313-S316 PolarHBondContact N-OG 2.95Å; S313-S316 PolarHBondContact O-N 2.84Å; S313-S316 VanDerWaalsContact O-N 3.16Å; S313-S316 PolarHBondContact O-OG 2.81Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 3.22Å; S316-R401 PolarHBondContact O-NH1 3.26Å
317	R	90.1	Very high	91	Very high	128 Å²	128	51.1 Å²	51.1	48%	0.483	25%	0.251	S	S	.	.	S	Bend	trans	-82.5	144	178.2	-75	175.4	172.4	-168.1	-4.5	111.2	R266 S313 E372	R266-R317 VanDerWaalsContact CD-O 3.27Å; R266-R317 WeakPolarHBondContact CD-O 3.18Å; R266-R317 PolarHBondContact NH1-O 3.36Å; S313-R317 WeakPolarHBondContact O-CG 3.33Å; S313-R317 PolarHBondContact O-N 2.79Å; R317-E372 IonicContact NH2-OE2 2.64Å; R317-E372 PolarHBondContact NH2-OE2 2.86Å
318	I	90.8	Very high	91.2	Very high	18 Å²	18	46.9 Å²	46.9	9%	0.092	24%	0.235	C	C	.	.			trans	-59	146.2	178	-64	174.7	0	0	0	111.2	R266 S320 P400 R401 I620 P622	R266-I318 VanDerWaalsContact NH1-C 3.27Å; R266-I318 PolarHBondContact NH1-O 3.27Å; I318-S320 PolarHBondContact O-N 2.82Å; I318-P400 HydrophobicContact CD1-CG 4.31Å; I318-R401 HydrophobicContact CD1-CG 3.78Å; I318-R401 HydrophobicContact CG1-CG 3.63Å; I318-I620 HydrophobicContact CB-CG2 4.28Å; I318-I620 VanDerWaalsContact CD1-O 3.31Å; I318-I620 WeakPolarHBondContact CD1-O 3.3Å; I318-I620 HydrophobicContact CG2-CG2 4.24Å; I318-P622 HydrophobicContact CD1-CG 4.14Å; I318-P622 HydrophobicContact CG2-CB 4.42Å; I318-P622 HydrophobicContact CG2-CG 4.47Å
319	R	87.8	Confident	91.2	Very high	13 Å²	13	46.6 Å²	46.6	5%	0.049	24%	0.235	C	C	.	.	S	Bend	trans	-77.6	64	167.7	-72.8	-170.2	176.9	-107.5	0.8	112.1	L226 S228 L229 P231 E236 R264 R266 S623	L226-R319 PolarHBondContact O-NH1 2.76Å; L226-R319 PolarHBondContact O-NH2 2.81Å; S228-R319 PolarHBondContact O-NH1 2.95Å; L229-R319 HydrophobicContact CD1-CB 3.83Å; L229-R319 HydrophobicContact CD1-CG 4.48Å; L229-R319 WeakPolarHBondContact CD1-O 3.37Å; P231-R319 HydrophobicContact CG-CB 4.22Å; E236-R319 VanDerWaalsContact OE1-CD 3.27Å; E236-R319 WeakPolarHBondContact OE1-CD 3.45Å; E236-R319 IonicContact OE1-CZ 2.93Å; E236-R319 IonicContact OE1-NE 2.73Å; E236-R319 PolarHBondContact OE1-NE 2.96Å; E236-R319 IonicContact OE1-NH2 3.29Å; R264-R319 PolarHBondContact O-NH2 2.86Å; R266-R319 VanDerWaalsContact CZ-CG 3.49Å; R319-S623 PolarHBondContact O-OG 2.8Å
320	S	86	Confident	91.3	Very high	22 Å²	22	46.4 Å²	46.4	15%	0.154	23%	0.233	C	C	.	.			trans	-152.2	147	169.5	177.9	0	0	0	0	109.7	I318 K322 I620 L621	I318-S320 PolarHBondContact O-N 2.82Å; S320-K322 PolarHBondContact OG-N 3.36Å; S320-I620 WeakPolarHBondContact O-CG2 3.14Å; S320-L621 WeakPolarHBondContact CB-O 3.35Å
321	N	83.4	Confident	91.4	Very high	132 Å²	132	44.1 Å²	44.1	71%	0.706	22%	0.218	S	C	*	.			trans	-104.9	-7.5	165.4	62.6	-23.7	0	0	0	112.1	L229 K323	L229-N321 HydrophobicContact CD2-CB 4.48Å; N321-K323 PolarHBondContact O-N 3.45Å
322	K	85.8	Confident	91.4	Very high	75 Å²	75	39.4 Å²	39.4	33%	0.326	20%	0.203	S	C	.	.			trans	-75.6	105.6	-179.4	-162.9	-179.4	-174.5	-177.3	0	109.3	S320 M324 E349	S320-K322 PolarHBondContact OG-N 3.36Å; K322-M324 HydrophobicContact CD-SD 3.75Å; K322-M324 HydrophobicContact CG-SD 3.75Å; K322-E349 IonicContact NZ-OE1 2.82Å; K322-E349 PolarHBondContact NZ-OE1 2.87Å
323	K	91.3	Very high	91.2	Very high	109 Å²	109	41 Å²	41	47%	0.474	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.2	165.9	-70.7	179.7	-179.6	178	0	109.2	N321 L569 V619 I620	N321-K323 PolarHBondContact O-N 3.45Å; K323-L569 HydrophobicContact CB-CD1 3.54Å; K323-L569 HydrophobicContact CD-CD1 4.11Å; K323-V619 CarbonylContact C-O 3.34Å; K323-V619 WeakPolarHBondContact CA-O 3.24Å; K323-I620 HydrophobicContact CG-CG1 3.88Å
324	M	92.9	Very high	90.6	Very high	18 Å²	18	40 Å²	40	9%	0.089	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.4	-176.5	-56.2	-64.1	-76	0	0	109	K322 L326 Y345 Y346 T618 V619 L621	K322-M324 HydrophobicContact CD-SD 3.75Å; K322-M324 HydrophobicContact CG-SD 3.75Å; M324-L326 HydrophobicContact CB-CD1 4.08Å; M324-Y345 HydrophobicContact CE-CD2 3.7Å; M324-Y345 HydrophobicContact CE-CE2 4.09Å; M324-Y346 WeakPolarHBondContact CE-O 3.47Å; M324-T618 WeakPolarHBondContact O-CA 3.46Å; M324-V619 PolarHBondContact N-O 3Å; M324-V619 PolarHBondContact O-N 3.04Å; M324-L621 HydrophobicContact CB-CD1 4.38Å; M324-L621 HydrophobicContact CG-CD1 4.23Å; M324-L621 HydrophobicContact CG-CG 4.34Å
325	L	96.2	Very high	89.8	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.5	167.8	-66.8	167.7	0	0	0	109.3	Y345 Y346 W353 A567 L569 Y574 T618	L325-Y345 CarbonylContact O-C 3.58Å; L325-Y345 VanDerWaalsContact O-CA 3.28Å; L325-Y345 WeakPolarHBondContact O-CA 3.38Å; L325-Y346 PolarHBondContact O-N 3.25Å; L325-W353 HydrophobicContact CB-CH2 4.15Å; L325-A567 HydrophobicContact CD2-CB 3.93Å; L325-L569 HydrophobicContact CD1-CD2 4.46Å; L325-L569 HydrophobicContact CD2-CB 4.08Å; L325-L569 HydrophobicContact CD2-CD2 4.11Å; L325-L569 HydrophobicContact CG-CD2 3.83Å; L325-Y574 HydrophobicContact CD1-CD1 3.43Å; L325-Y574 VanDerWaalsContact CD1-CD1 3.43Å; L325-Y574 HydrophobicContact CD1-CD2 4.2Å; L325-Y574 HydrophobicContact CD1-CE1 3.83Å; L325-Y574 HydrophobicContact CD1-CG 3.63Å; L325-Y574 HydrophobicContact CD2-CD2 4.07Å; L325-Y574 HydrophobicContact CD2-CG 4Å; L325-Y574 HydrophobicContact CG-CG 4.46Å; L325-T618 HydrophobicContact CD2-CG2 4.04Å
326	L	96.7	Very high	88.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.8	173.1	-90.9	62.9	0	0	0	110.7	M324 V343 Q344 L356 L375 C616 V617 V619 L621	M324-L326 HydrophobicContact CB-CD1 4.08Å; L326-V343 HydrophobicContact CD2-CG1 4.11Å; L326-V343 HydrophobicContact CG-CG1 4.48Å; L326-Q344 CarbonylContact C-O 3.58Å; L326-Q344 WeakPolarHBondContact CA-O 3.34Å; L326-L356 HydrophobicContact CD2-CD2 3.73Å; L326-L356 HydrophobicContact CG-CD2 4.29Å; L326-L375 HydrophobicContact CD2-CD1 3.64Å; L326-C616 CarbonylContact O-C 3.52Å; L326-C616 VanDerWaalsContact O-CA 3.22Å; L326-C616 WeakPolarHBondContact O-CA 3.34Å; L326-C616 PolarHBondContact O-SG 3.31Å; L326-V617 HydrophobicContact CB-CG1 3.96Å; L326-V617 PolarHBondContact N-O 3.43Å; L326-V617 PolarHBondContact O-N 3.08Å; L326-V619 HydrophobicContact CD1-CB 4.42Å; L326-V619 HydrophobicContact CD1-CG1 3.57Å; L326-V619 HydrophobicContact CD2-CB 4.23Å; L326-V619 HydrophobicContact CD2-CG1 3.59Å; L326-V619 HydrophobicContact CG-CG1 4.24Å; L326-L621 HydrophobicContact CD1-CD1 4.39Å
327	L	97.2	Very high	88.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.3	171.6	-167.9	70.9	0	0	0	109	V343 Q344 W353 V576 V607 L611 P614 A615 C616	L327-V343 WeakPolarHBondContact O-CA 3.44Å; L327-Q344 HydrophobicContact CB-CB 4.48Å; L327-Q344 PolarHBondContact N-O 3.41Å; L327-Q344 PolarHBondContact O-N 3.19Å; L327-W353 HydrophobicContact CB-CE3 4.26Å; L327-W353 HydrophobicContact CB-CH2 4.04Å; L327-W353 HydrophobicContact CB-CZ3 3.63Å; L327-V576 HydrophobicContact CD1-CB 3.76Å; L327-V576 HydrophobicContact CD1-CG1 3.61Å; L327-V576 HydrophobicContact CD2-CG1 3.76Å; L327-V576 HydrophobicContact CG-CG1 4.21Å; L327-V607 HydrophobicContact CD2-CB 4.42Å; L327-V607 HydrophobicContact CD2-CG1 3.77Å; L327-V607 HydrophobicContact CD2-CG2 3.75Å; L327-L611 HydrophobicContact CD2-CD1 4.03Å; L327-P614 HydrophobicContact CD1-CB 3.65Å; L327-P614 HydrophobicContact CD1-CG 3.67Å; L327-P614 HydrophobicContact CG-CB 4.01Å; L327-P614 HydrophobicContact CG-CG 4.4Å; L327-A615 WeakPolarHBondContact CA-O 3.36Å; L327-C616 HydrophobicContact CD1-CB 4.37Å
328	V	97.5	Very high	88	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120	-172.4	-176.5	0	0	0	0	110.2	V343 M359 H366 V368 V377 P614 A615	V328-V343 HydrophobicContact CG1-CG2 4.25Å; V328-V343 HydrophobicContact CG2-CG1 4.23Å; V328-V343 HydrophobicContact CG2-CG2 4.46Å; V328-M359 HydrophobicContact CG1-CE 4.13Å; V328-M359 HydrophobicContact CG1-CG 4.3Å; V328-M359 HydrophobicContact CG1-SD 3.34Å; V328-M359 WeakPolarHBondContact CG1-SD 3.4Å; V328-H366 PolarHBondContact O-CE1 3.26Å; V328-H366 VanDerWaalsContact O-CE1 3.27Å; V328-H366 PolarHBondContact O-NE2 3.33Å; V328-V368 HydrophobicContact CB-CG2 3.9Å; V328-V368 HydrophobicContact CG1-CG2 3.79Å; V328-V368 HydrophobicContact CG2-CG2 4.14Å; V328-V377 HydrophobicContact CG1-CG2 4.38Å; V328-P614 WeakPolarHBondContact O-CA 3.5Å; V328-A615 HydrophobicContact CB-CB 4.39Å; V328-A615 PolarHBondContact N-O 3.3Å; V328-A615 PolarHBondContact O-N 3.43Å
329	G	95.8	Very high	88.1	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.021	25%	0.249	C	C	.	.			trans	53.3	-137.7	176.6	0	0	0	0	0	114.1	S340 L342 P614	G329-S340 VanDerWaalsContact CA-O 3.29Å; G329-S340 WeakPolarHBondContact CA-O 3.48Å; G329-L342 PolarHBondContact N-O 3.14Å; G329-P614 WeakPolarHBondContact O-CB 3.5Å
330	G	94.6	Very high	88.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.			trans	101.7	174	-178.2	0	0	0	0	0	113.4	P339 S340 S363	G330-P339 CarbonylContact O-C 3.5Å; G330-P339 WeakPolarHBondContact O-CA 3.4Å; G330-S340 PolarHBondContact O-N 2.86Å; G330-S363 PolarHBondContact N-O 2.89Å
331	L	93.4	Very high	88.7	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-104.2	114.7	-171.9	-163.4	70.3	0	0	0	111.2	R337 P339 A364 W384 Y586 L611 A612	L331-R337 HydrophobicContact CD1-CB 4.15Å; L331-R337 WeakPolarHBondContact CD1-O 3.36Å; L331-P339 HydrophobicContact CD1-CG 4.1Å; L331-A364 HydrophobicContact CB-CB 3.94Å; L331-A364 HydrophobicContact CD1-CB 4.27Å; L331-W384 HydrophobicContact CD1-CB 4.11Å; L331-W384 HydrophobicContact CD2-CB 3.92Å; L331-W384 HydrophobicContact CD2-CG 4Å; L331-Y586 VanDerWaalsContact O-CE1 3.31Å; L331-Y586 WeakPolarHBondContact O-CE1 3.2Å; L331-L611 WeakPolarHBondContact O-CA 3.49Å; L331-A612 VanDerWaalsContact CB-O 3.31Å; L331-A612 WeakPolarHBondContact CB-O 3.4Å; L331-A612 PolarHBondContact N-O 3.11Å; L331-A612 PolarHBondContact O-N 3.15Å
332	P	91.3	Very high	89.2	Confident	21 Å²	21	41.9 Å²	41.9	14%	0.136	23%	0.23	C	C	.	.			trans	-78.9	162.5	175.7	31.8	-34.5	0	0	0	112	L338 L611	P332-L338 WeakPolarHBondContact CD-O 2.99Å; P332-L338 VanDerWaalsContact CG-O 3.29Å; P332-L338 WeakPolarHBondContact CG-O 3.42Å; P332-L611 HydrophobicContact CB-CD2 3.95Å; P332-L611 HydrophobicContact CG-CD2 4.5Å
333	P	86.8	Confident	89.7	Confident	68 Å²	68	38.4 Å²	38.4	44%	0.442	22%	0.215	S	C	.	.	S	Bend	trans	-65.1	140	167.3	29.6	-36.5	0	0	0	110.9	Y586 P610	P333-Y586 HydrophobicContact CB-CD2 3.8Å; P333-Y586 HydrophobicContact CB-CE2 4Å; P333-Y586 HydrophobicContact CB-CG 4.3Å; P333-P610 WeakPolarHBondContact CD-O 3.48Å; P333-P610 HydrophobicContact CG-CG 4.01Å
334	G	78.3	Confident	89.8	Confident	39 Å²	39	33.5 Å²	33.5	40%	0.402	19%	0.193	S	C	.	.	S	Bend	trans	162.8	170.2	172.9	0	0	0	0	0	113.2	R337	G334-R337 WeakPolarHBondContact O-CG 3.21Å
335	P	70.6	Confident	89.9	Confident	125 Å²	125	33.2 Å²	33.2	81%	0.812	19%	0.192	S	C	*	.	S	Bend	trans	-69.3	-43.8	174.5	27.6	-32.2	0	0	0	111.7	R337	P335-R337 PolarHBondContact O-N 2.81Å
336	D	69.5	Low	89.8	Confident	126 Å²	126	33.5 Å²	33.5	67%	0.674	19%	0.192	S	C	*	.	S	Bend	trans	-79.1	-19.8	-173.4	-55.2	-48	0	0	0	113.5	L338	D336-L338 PolarHBondContact O-N 2.83Å; D336-L338 VanDerWaalsContact O-N 3.12Å
337	R	74.6	Confident	89.4	Confident	90 Å²	90	34.1 Å²	34.1	34%	0.34	20%	0.195	S	C	.	.			trans	45	42.6	-179.6	-60.7	-173.7	-179.2	-167.2	-1.5	112.9	L331 G334 P335 P339 W384	L331-R337 HydrophobicContact CD1-CB 4.15Å; L331-R337 WeakPolarHBondContact CD1-O 3.36Å; G334-R337 WeakPolarHBondContact O-CG 3.21Å; P335-R337 PolarHBondContact O-N 2.81Å; R337-P339 WeakPolarHBondContact O-CD 3.47Å; R337-W384 HydrophobicContact CB-CB 4.15Å
338	L	87.5	Confident	88.9	Confident	102 Å²	102	37.7 Å²	37.7	53%	0.534	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-71.4	121.4	175.3	-173.5	68.2	0	0	0	108.5	P332 D336	P332-L338 WeakPolarHBondContact CD-O 2.99Å; P332-L338 VanDerWaalsContact CG-O 3.29Å; P332-L338 WeakPolarHBondContact CG-O 3.42Å; D336-L338 PolarHBondContact O-N 2.83Å; D336-L338 VanDerWaalsContact O-N 3.12Å
339	P	93.2	Very high	88.3	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.013	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-60.6	147.5	177.1	-23.8	35.5	0	0	0	112	G330 L331 R337 N362 S363 A364 E381 D382	G330-P339 CarbonylContact O-C 3.5Å; G330-P339 WeakPolarHBondContact O-CA 3.4Å; L331-P339 HydrophobicContact CD1-CG 4.1Å; R337-P339 WeakPolarHBondContact O-CD 3.47Å; P339-N362 HydrophobicContact CB-CB 4.32Å; P339-N362 VanDerWaalsContact O-CB 3.3Å; P339-N362 WeakPolarHBondContact O-CB 3.42Å; P339-N362 PolarHBondContact O-ND2 2.97Å; P339-S363 VanDerWaalsContact CB-C 3.46Å; P339-A364 HydrophobicContact CB-CB 3.91Å; P339-A364 HydrophobicContact CG-CB 4.13Å; P339-E381 WeakPolarHBondContact CG-O 3.31Å; P339-D382 WeakPolarHBondContact CD-O 3.29Å; P339-D382 WeakPolarHBondContact CG-O 3.43Å
340	S	92.9	Very high	87.6	Confident	11 Å²	11	49.3 Å²	49.3	8%	0.077	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-70.5	145.7	171.6	-171.3	0	0	0	0	110.7	G329 G330 L342 S363	G329-S340 VanDerWaalsContact CA-O 3.29Å; G329-S340 WeakPolarHBondContact CA-O 3.48Å; G330-S340 PolarHBondContact O-N 2.86Å; S340-L342 WeakPolarHBondContact OG-CB 3.17Å; S340-L342 WeakPolarHBondContact OG-CG 3.5Å; S340-L342 PolarHBondContact OG-N 2.95Å; S340-L342 VanDerWaalsContact OG-N 3.14Å; S340-S363 PolarHBondContact O-N 2.98Å
341	N	93.7	Very high	87.2	Confident	44 Å²	44	52.8 Å²	52.8	24%	0.235	28%	0.282	C	S	.	.			trans	-106.4	5.9	167	58.9	7.5	0	0	0	112	I358 M359 N362	N341-I358 HydrophobicContact CB-CG2 4.02Å; N341-I358 WeakPolarHBondContact ND2-CG2 3.39Å; N341-I358 CarbonylContact O-C 3.59Å; N341-M359 HydrophobicContact CB-CB 4.2Å; N341-M359 WeakPolarHBondContact O-CB 2.97Å; N341-M359 WeakPolarHBondContact O-CG 3.1Å; N341-M359 PolarHBondContact O-N 3.25Å; N341-N362 PolarHBondContact ND2-OD1 2.61Å; N341-N362 VanDerWaalsContact ND2-OD1 3.15Å
342	L	93.9	Very high	86.9	Confident	35 Å²	35	55.3 Å²	55.3	18%	0.183	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.8	-177	-59.8	-179.3	0	0	0	111.4	G329 S340 Q344 I355 I358	G329-L342 PolarHBondContact N-O 3.14Å; S340-L342 WeakPolarHBondContact OG-CB 3.17Å; S340-L342 WeakPolarHBondContact OG-CG 3.5Å; S340-L342 PolarHBondContact OG-N 2.95Å; S340-L342 VanDerWaalsContact OG-N 3.14Å; L342-Q344 HydrophobicContact CB-CG 4.23Å; L342-I355 HydrophobicContact CD1-CD1 4.25Å; L342-I355 HydrophobicContact CD1-CG1 4.49Å; L342-I355 HydrophobicContact CD2-CD1 4.26Å; L342-I355 HydrophobicContact CD2-CG2 4.49Å; L342-I358 HydrophobicContact CD2-CG1 4.27Å
343	V	95.5	Very high	86.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.2	160.9	-178.7	0	0	0	0	107.3	L326 L327 V328 L356 T357 M359 W405	L326-V343 HydrophobicContact CD2-CG1 4.11Å; L326-V343 HydrophobicContact CG-CG1 4.48Å; L327-V343 WeakPolarHBondContact O-CA 3.44Å; V328-V343 HydrophobicContact CG1-CG2 4.25Å; V328-V343 HydrophobicContact CG2-CG1 4.23Å; V328-V343 HydrophobicContact CG2-CG2 4.46Å; V343-L356 HydrophobicContact CG1-CB 4.2Å; V343-L356 HydrophobicContact CG1-CD2 4.04Å; V343-L356 WeakPolarHBondContact O-CB 3.23Å; V343-L356 PolarHBondContact O-N 3.01Å; V343-T357 HydrophobicContact CB-CG2 3.58Å; V343-T357 HydrophobicContact CG1-CG2 4.13Å; V343-T357 HydrophobicContact CG2-CG2 3.71Å; V343-T357 PolarHBondContact N-O 3.13Å; V343-T357 PolarHBondContact O-N 3.25Å; V343-M359 HydrophobicContact CG2-CG 3.75Å; V343-W405 HydrophobicContact CG2-CH2 4.21Å; V343-W405 HydrophobicContact CG2-CZ2 3.85Å
344	Q	94.6	Very high	87	Confident	6 Å²	6	54 Å²	54	3%	0.028	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151	-176.9	-59.4	176.5	96.4	0	0	109.9	L326 L327 L342 W353 K354 I355 V607	L326-Q344 CarbonylContact C-O 3.58Å; L326-Q344 WeakPolarHBondContact CA-O 3.34Å; L327-Q344 HydrophobicContact CB-CB 4.48Å; L327-Q344 PolarHBondContact N-O 3.41Å; L327-Q344 PolarHBondContact O-N 3.19Å; L342-Q344 HydrophobicContact CB-CG 4.23Å; Q344-W353 HydrophobicContact CB-CE3 3.98Å; Q344-K354 CarbonylContact C-O 3.57Å; Q344-K354 WeakPolarHBondContact CA-O 3.48Å; Q344-K354 WeakPolarHBondContact CB-O 3.32Å; Q344-I355 HydrophobicContact CG-CG1 4.32Å; Q344-V607 VanDerWaalsContact NE2-CG1 3.33Å
345	Y	94.6	Very high	87.6	Confident	13 Å²	13	56.2 Å²	56.2	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.5	171.9	73.2	-84.6	0	0	0	111.1	M324 L325 D347 W353 K354 L356 L621	M324-Y345 HydrophobicContact CE-CD2 3.7Å; M324-Y345 HydrophobicContact CE-CE2 4.09Å; L325-Y345 CarbonylContact O-C 3.58Å; L325-Y345 VanDerWaalsContact O-CA 3.28Å; L325-Y345 WeakPolarHBondContact O-CA 3.38Å; Y345-D347 HydrophobicContact CE2-CB 4.07Å; Y345-W353 VanDerWaalsContact C-CE3 3.42Å; Y345-W353 WeakPolarHBondContact O-CA 3.47Å; Y345-K354 HydrophobicContact CD1-CB 4.05Å; Y345-K354 WeakPolarHBondContact CD1-O 2.99Å; Y345-K354 HydrophobicContact CE1-CB 3.62Å; Y345-K354 HydrophobicContact CE1-CD 4.2Å; Y345-K354 HydrophobicContact CE2-CB 4.4Å; Y345-K354 HydrophobicContact CE2-CD 4.02Å; Y345-K354 PolarHBondContact N-O 3.28Å; Y345-K354 PolarHBondContact O-N 3.29Å; Y345-K354 WeakPolarHBondContact OH-CD 3.48Å; Y345-L356 HydrophobicContact CD1-CB 3.93Å; Y345-L356 HydrophobicContact CD1-CD1 4.41Å; Y345-L621 HydrophobicContact CD1-CD1 4.31Å; Y345-L621 HydrophobicContact CD2-CD1 4.26Å; Y345-L621 HydrophobicContact CG-CD1 3.97Å
346	Y	94.3	Very high	88.6	Confident	10 Å²	10	50.5 Å²	50.5	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.6	173.9	-175.4	-106.8	0	0	0	110.8	M324 L325 D348 K351 W353 L603 E604	M324-Y346 WeakPolarHBondContact CE-O 3.47Å; L325-Y346 PolarHBondContact O-N 3.25Å; Y346-D348 HydrophobicContact CD1-CB 4.24Å; Y346-D348 HydrophobicContact CE1-CB 3.99Å; Y346-D348 PolarHBondContact O-N 3.06Å; Y346-K351 WeakPolarHBondContact OH-CD 3.49Å; Y346-W353 AromaticContact CD2-CD1 3.85Å; Y346-W353 HydrophobicContact CD2-CD2 4.18Å; Y346-W353 AromaticContact CD2-CE2 3.79Å; Y346-W353 HydrophobicContact CD2-CG 4.23Å; Y346-W353 HydrophobicContact CD2-CZ2 4.31Å; Y346-W353 AromaticContact CD2-NE1 3.56Å; Y346-W353 HydrophobicContact CG-CZ2 4.44Å; Y346-L603 HydrophobicContact CD1-CD2 4.48Å; Y346-L603 HydrophobicContact CE1-CD2 3.86Å; Y346-E604 VanDerWaalsContact CE2-O 3.27Å; Y346-E604 WeakPolarHBondContact CE2-O 3.35Å; Y346-E604 PolarHBondContact OH-O 2.89Å
347	D	88.8	Confident	89.7	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.064	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	99.4	171.2	-175.5	-9.6	0	0	0	109.8	Y345 E349 K350 K351 T352 K354	Y345-D347 HydrophobicContact CE2-CB 4.07Å; D347-E349 VanDerWaalsContact C-N 3.25Å; D347-E349 PolarHBondContact O-N 3.3Å; D347-E349 WeakPolarHBondContact OD1-CB 3.36Å; D347-E349 PolarHBondContact OD1-N 2.87Å; D347-K350 HydrophobicContact CB-CB 4.35Å; D347-K350 CarbonylContact O-C 3.51Å; D347-K350 PolarHBondContact O-N 2.84Å; D347-K350 PolarHBondContact OD1-N 2.91Å; D347-K350 WeakPolarHBondContact OD2-CG 3.39Å; D347-K351 WeakPolarHBondContact O-CA 3.47Å; D347-K351 PolarHBondContact O-N 3.34Å; D347-T352 PolarHBondContact N-O 3.31Å; D347-T352 PolarHBondContact O-N 3.36Å; D347-K354 HydrophobicContact CB-CD 4.13Å; D347-K354 VanDerWaalsContact OD2-CE 3.23Å; D347-K354 WeakPolarHBondContact OD2-CE 3.34Å; D347-K354 IonicContact OD2-NZ 3.71Å; D347-K354 PolarHBondContact OD2-NZ 3.24Å
348	D	85.9	Confident	90.6	Very high	78 Å²	78	44.2 Å²	44.2	42%	0.417	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.1	179.3	-170.8	70.5	0	0	0	113.8	Y346 K351	Y346-D348 HydrophobicContact CD1-CB 4.24Å; Y346-D348 HydrophobicContact CE1-CB 3.99Å; Y346-D348 PolarHBondContact O-N 3.06Å; D348-K351 VanDerWaalsContact O-CD 3.3Å; D348-K351 WeakPolarHBondContact O-CD 3.4Å; D348-K351 VanDerWaalsContact O-CE 3.27Å; D348-K351 WeakPolarHBondContact O-CE 3.11Å; D348-K351 PolarHBondContact O-NZ 3.17Å; D348-K351 IonicContact OD1-NZ 3.82Å; D348-K351 PolarHBondContact OD1-NZ 3.37Å; D348-K351 IonicContact OD2-NZ 2.86Å; D348-K351 PolarHBondContact OD2-NZ 2.8Å
349	E	84.2	Confident	91	Very high	147 Å²	147	39.7 Å²	39.7	69%	0.687	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-33.8	176.7	-70.8	167	-139.2	0	0	111.2	K322 D347	K322-E349 IonicContact NZ-OE1 2.82Å; K322-E349 PolarHBondContact NZ-OE1 2.87Å; D347-E349 VanDerWaalsContact C-N 3.25Å; D347-E349 PolarHBondContact O-N 3.3Å; D347-E349 WeakPolarHBondContact OD1-CB 3.36Å; D347-E349 PolarHBondContact OD1-N 2.87Å
350	K	81.4	Confident	91	Very high	99 Å²	99	43.3 Å²	43.3	43%	0.43	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	5.1	179.7	-59.2	-167.8	-175.9	-166.8	0	113.8	D347 T352	D347-K350 HydrophobicContact CB-CB 4.35Å; D347-K350 CarbonylContact O-C 3.51Å; D347-K350 PolarHBondContact O-N 2.84Å; D347-K350 PolarHBondContact OD1-N 2.91Å; D347-K350 WeakPolarHBondContact OD2-CG 3.39Å; K350-T352 WeakPolarHBondContact CB-OG1 3.31Å; K350-T352 WeakPolarHBondContact O-CG2 3.26Å; K350-T352 PolarHBondContact O-N 3.05Å; K350-T352 VanDerWaalsContact O-N 3.14Å; K350-T352 PolarHBondContact O-OG1 3.29Å
351	K	85.7	Confident	90.9	Very high	73 Å²	73	44.5 Å²	44.5	32%	0.317	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	41	48.2	-176	-57.7	-59.8	-176.9	-143.9	0	112.9	Y346 D347 D348 E604 G605	Y346-K351 WeakPolarHBondContact OH-CD 3.49Å; D347-K351 WeakPolarHBondContact O-CA 3.47Å; D347-K351 PolarHBondContact O-N 3.34Å; D348-K351 VanDerWaalsContact O-CD 3.3Å; D348-K351 WeakPolarHBondContact O-CD 3.4Å; D348-K351 VanDerWaalsContact O-CE 3.27Å; D348-K351 WeakPolarHBondContact O-CE 3.11Å; D348-K351 PolarHBondContact O-NZ 3.17Å; D348-K351 IonicContact OD1-NZ 3.82Å; D348-K351 PolarHBondContact OD1-NZ 3.37Å; D348-K351 IonicContact OD2-NZ 2.86Å; D348-K351 PolarHBondContact OD2-NZ 2.8Å; K351-E604 HydrophobicContact CB-CB 3.9Å; K351-E604 HydrophobicContact CG-CB 4.24Å; K351-G605 WeakPolarHBondContact O-CA 3.49Å
352	T	87.5	Confident	90.9	Very high	60 Å²	60	44.5 Å²	44.5	37%	0.368	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.9	-173.2	36.1	0	0	0	0	112.5	D347 K350	D347-T352 PolarHBondContact N-O 3.31Å; D347-T352 PolarHBondContact O-N 3.36Å; K350-T352 WeakPolarHBondContact CB-OG1 3.31Å; K350-T352 WeakPolarHBondContact O-CG2 3.26Å; K350-T352 PolarHBondContact O-N 3.05Å; K350-T352 VanDerWaalsContact O-N 3.14Å; K350-T352 PolarHBondContact O-OG1 3.29Å
353	W	91.4	Very high	90.9	Very high	23 Å²	23	42.9 Å²	42.9	9%	0.087	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	140	166.1	-72.9	89.1	0	0	0	110.8	L325 L327 Q344 Y345 Y346 V576 T590 G605 V607	L325-W353 HydrophobicContact CB-CH2 4.15Å; L327-W353 HydrophobicContact CB-CE3 4.26Å; L327-W353 HydrophobicContact CB-CH2 4.04Å; L327-W353 HydrophobicContact CB-CZ3 3.63Å; Q344-W353 HydrophobicContact CB-CE3 3.98Å; Y345-W353 VanDerWaalsContact C-CE3 3.42Å; Y345-W353 WeakPolarHBondContact O-CA 3.47Å; Y346-W353 AromaticContact CD2-CD1 3.85Å; Y346-W353 HydrophobicContact CD2-CD2 4.18Å; Y346-W353 AromaticContact CD2-CE2 3.79Å; Y346-W353 HydrophobicContact CD2-CG 4.23Å; Y346-W353 HydrophobicContact CD2-CZ2 4.31Å; Y346-W353 AromaticContact CD2-NE1 3.56Å; Y346-W353 HydrophobicContact CG-CZ2 4.44Å; W353-V576 HydrophobicContact CH2-CG1 4.14Å; W353-V576 HydrophobicContact CH2-CG2 3.98Å; W353-V576 HydrophobicContact CZ2-CB 4.4Å; W353-V576 HydrophobicContact CZ2-CG1 3.7Å; W353-V576 HydrophobicContact CZ2-CG2 3.74Å; W353-T590 PolarHBondContact NE1-OG1 3.36Å; W353-G605 VanDerWaalsContact CD1-O 3.28Å; W353-G605 PolarHBondContact NE1-O 3.46Å; W353-V607 HydrophobicContact CD2-CG2 3.93Å; W353-V607 HydrophobicContact CG-CB 4.45Å; W353-V607 HydrophobicContact CG-CG2 3.89Å; W353-V607 HydrophobicContact CZ2-CG2 4.45Å
354	K	89	Confident	90.9	Very high	37 Å²	37	42.8 Å²	42.8	16%	0.161	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.7	179.7	-69	176.2	-179	176.4	0	110.8	Q344 Y345 D347 L356	Q344-K354 CarbonylContact C-O 3.57Å; Q344-K354 WeakPolarHBondContact CA-O 3.48Å; Q344-K354 WeakPolarHBondContact CB-O 3.32Å; Y345-K354 HydrophobicContact CD1-CB 4.05Å; Y345-K354 WeakPolarHBondContact CD1-O 2.99Å; Y345-K354 HydrophobicContact CE1-CB 3.62Å; Y345-K354 HydrophobicContact CE1-CD 4.2Å; Y345-K354 HydrophobicContact CE2-CB 4.4Å; Y345-K354 HydrophobicContact CE2-CD 4.02Å; Y345-K354 PolarHBondContact N-O 3.28Å; Y345-K354 PolarHBondContact O-N 3.29Å; Y345-K354 WeakPolarHBondContact OH-CD 3.48Å; D347-K354 HydrophobicContact CB-CD 4.13Å; D347-K354 VanDerWaalsContact OD2-CE 3.23Å; D347-K354 WeakPolarHBondContact OD2-CE 3.34Å; D347-K354 IonicContact OD2-NZ 3.71Å; D347-K354 PolarHBondContact OD2-NZ 3.24Å; K354-L356 PolarHBondContact O-N 2.87Å
355	I	90.6	Very high	90.9	Very high	86 Å²	86	44.2 Å²	44.2	44%	0.441	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.9	172	-59.5	170.6	0	0	0	109	L342 Q344	L342-I355 HydrophobicContact CD1-CD1 4.25Å; L342-I355 HydrophobicContact CD1-CG1 4.49Å; L342-I355 HydrophobicContact CD2-CD1 4.26Å; L342-I355 HydrophobicContact CD2-CG2 4.49Å; Q344-I355 HydrophobicContact CG-CG1 4.32Å
356	L	91.1	Very high	91	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-52.2	171.9	177.8	57.6	0	0	0	110.5	L326 V343 Y345 K354 Y398 L621 V625	L326-L356 HydrophobicContact CD2-CD2 3.73Å; L326-L356 HydrophobicContact CG-CD2 4.29Å; V343-L356 HydrophobicContact CG1-CB 4.2Å; V343-L356 HydrophobicContact CG1-CD2 4.04Å; V343-L356 WeakPolarHBondContact O-CB 3.23Å; V343-L356 PolarHBondContact O-N 3.01Å; Y345-L356 HydrophobicContact CD1-CB 3.93Å; Y345-L356 HydrophobicContact CD1-CD1 4.41Å; K354-L356 PolarHBondContact O-N 2.87Å; L356-Y398 HydrophobicContact CD2-CE1 3.86Å; L356-Y398 WeakPolarHBondContact CG-OH 3.42Å; L356-L621 HydrophobicContact CD1-CD1 4.14Å; L356-L621 HydrophobicContact CD1-CD2 4.12Å; L356-L621 HydrophobicContact CD2-CD1 4.31Å; L356-L621 HydrophobicContact CD2-CD2 3.76Å; L356-V625 HydrophobicContact CD1-CG1 3.41Å; L356-V625 VanDerWaalsContact CD1-CG1 3.41Å
357	T	93.5	Very high	91.2	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.043	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	179.8	-172.7	-162.5	0	0	0	0	110.4	V343 Y398 N403 W405	V343-T357 HydrophobicContact CB-CG2 3.58Å; V343-T357 HydrophobicContact CG1-CG2 4.13Å; V343-T357 HydrophobicContact CG2-CG2 3.71Å; V343-T357 PolarHBondContact N-O 3.13Å; V343-T357 PolarHBondContact O-N 3.25Å; T357-Y398 HydrophobicContact CG2-CD2 4.13Å; T357-Y398 HydrophobicContact CG2-CE1 4.45Å; T357-Y398 HydrophobicContact CG2-CE2 3.58Å; T357-N403 WeakPolarHBondContact CB-OD1 3.26Å; T357-N403 PolarHBondContact OG1-OD1 2.85Å; T357-W405 HydrophobicContact CG2-CZ2 3.8Å
358	I	93.8	Very high	91.7	Very high	78 Å²	78	44.8 Å²	44.8	40%	0.4	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.3	177	-54	179.9	0	0	0	107.8	N341 L342 W405	N341-I358 HydrophobicContact CB-CG2 4.02Å; N341-I358 WeakPolarHBondContact ND2-CG2 3.39Å; N341-I358 CarbonylContact O-C 3.59Å; L342-I358 HydrophobicContact CD2-CG1 4.27Å; I358-W405 PolarHBondContact O-NE1 2.92Å
359	M	94.6	Very high	92.3	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.03	21%	0.209	C	C	.	.			trans	-67.4	152.4	175.4	-63.9	-163.2	-70.2	0	0	111.3	V328 N341 V343 Y361 V377 W405	V328-M359 HydrophobicContact CG1-CE 4.13Å; V328-M359 HydrophobicContact CG1-CG 4.3Å; V328-M359 HydrophobicContact CG1-SD 3.34Å; V328-M359 WeakPolarHBondContact CG1-SD 3.4Å; N341-M359 HydrophobicContact CB-CB 4.2Å; N341-M359 WeakPolarHBondContact O-CB 2.97Å; N341-M359 WeakPolarHBondContact O-CG 3.1Å; N341-M359 PolarHBondContact O-N 3.25Å; V343-M359 HydrophobicContact CG2-CG 3.75Å; M359-Y361 WeakPolarHBondContact CB-O 3.29Å; M359-Y361 PolarHBondContact O-N 2.93Å; M359-Y361 VanDerWaalsContact O-N 3.08Å; M359-V377 HydrophobicContact SD-CG1 3.94Å; M359-V377 HydrophobicContact SD-CG2 4.19Å; M359-W405 HydrophobicContact CB-CH2 4.34Å; M359-W405 HydrophobicContact CB-CZ2 4.32Å; M359-W405 HydrophobicContact CG-CH2 3.73Å; M359-W405 HydrophobicContact CG-CZ2 3.89Å
360	P	93.8	Very high	92.9	Very high	78 Å²	78	37.8 Å²	37.8	51%	0.506	19%	0.191	S	C	.	.	S	Bend	trans	-63.1	-14.8	176.7	-22.7	34.7	0	0	0	114.8	W405	P360-W405 HydrophobicContact CG-CB 3.84Å; P360-W405 HydrophobicContact CG-CD2 3.97Å; P360-W405 HydrophobicContact CG-CE3 4.11Å; P360-W405 HydrophobicContact CG-CG 3.87Å
361	Y	91.3	Very high	93.6	Very high	37 Å²	37	33 Å²	33	15%	0.145	17%	0.171	C	C	.	.	S	Bend	trans	-150.7	157.5	178.4	47.3	-98.7	0	0	0	110.8	M359 V377 F394 S396	M359-Y361 WeakPolarHBondContact CB-O 3.29Å; M359-Y361 PolarHBondContact O-N 2.93Å; M359-Y361 VanDerWaalsContact O-N 3.08Å; Y361-V377 HydrophobicContact CE2-CG1 4.29Å; Y361-F394 HydrophobicContact CD1-CB 4.37Å; Y361-F394 HydrophobicContact CD1-CD2 4.23Å; Y361-F394 HydrophobicContact CE1-CB 3.72Å; Y361-F394 HydrophobicContact CE1-CD2 4.41Å; Y361-F394 HydrophobicContact CE1-CG 4.38Å; Y361-F394 HydrophobicContact CE2-CB 4.48Å; Y361-F394 HydrophobicContact CG-CD2 4.39Å; Y361-S396 VanDerWaalsContact CE1-OG 3.29Å; Y361-S396 WeakPolarHBondContact CE1-OG 3.46Å
362	N	92.9	Very high	94	Very high	44 Å²	44	32.2 Å²	32.2	24%	0.235	17%	0.168	C	C	.	.			trans	-74.2	133.2	173.1	-66.2	36.3	0	0	0	109.2	P339 N341	P339-N362 HydrophobicContact CB-CB 4.32Å; P339-N362 VanDerWaalsContact O-CB 3.3Å; P339-N362 WeakPolarHBondContact O-CB 3.42Å; P339-N362 PolarHBondContact O-ND2 2.97Å; N341-N362 PolarHBondContact ND2-OD1 2.61Å; N341-N362 VanDerWaalsContact ND2-OD1 3.15Å
363	S	94.8	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.			trans	-155	136.5	177.4	-172.7	0	0	0	0	114	G330 P339 S340 H366 G379 E381	G330-S363 PolarHBondContact N-O 2.89Å; P339-S363 VanDerWaalsContact CB-C 3.46Å; S340-S363 PolarHBondContact O-N 2.98Å; S363-H366 PolarHBondContact O-CE1 3.06Å; S363-H366 VanDerWaalsContact O-CE1 3.24Å; S363-H366 PolarHBondContact O-ND1 3.04Å; S363-H366 VanDerWaalsContact O-ND1 3.11Å; S363-H366 WeakPolarHBondContact OG-CB 3.1Å; S363-H366 PolarHBondContact OG-ND1 3.05Å; S363-G379 PolarHBondContact OG-O 2.75Å; S363-E381 WeakPolarHBondContact CA-O 3.49Å
364	A	94.4	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-122.9	159.6	166.6	0	0	0	0	0	110.1	L331 P339 H366 G380 E381	L331-A364 HydrophobicContact CB-CB 3.94Å; L331-A364 HydrophobicContact CD1-CB 4.27Å; P339-A364 HydrophobicContact CB-CB 3.91Å; P339-A364 HydrophobicContact CG-CB 4.13Å; A364-H366 PolarHBondContact O-N 3.48Å; A364-G380 CarbonylContact O-C 3.56Å; A364-G380 VanDerWaalsContact O-CA 3.31Å; A364-G380 WeakPolarHBondContact O-CA 3.47Å; A364-E381 PolarHBondContact N-O 3.26Å; A364-E381 PolarHBondContact O-N 3.37Å
365	H	95.5	Very high	95	Very high	35 Å²	35	28.1 Å²	28.1	16%	0.162	15%	0.147	C	C	.	.	S	Bend	trans	55.4	25.5	179.6	-50.4	119.1	0	0	0	114.2	E381 S417 G613	H365-E381 IonicContact CE1-OE1 3.48Å; H365-E381 PolarHBondContact CE1-OE1 2.92Å; H365-E381 IonicContact CG-OE1 2.86Å; H365-E381 IonicContact ND1-OE1 2.95Å; H365-E381 PolarHBondContact ND1-OE1 2.99Å; H365-S417 PolarHBondContact O-N 3.35Å; H365-G613 PolarHBondContact N-O 3Å; H365-G613 VanDerWaalsContact N-O 3.09Å
366	H	97.5	Very high	95.4	Very high	11 Å²	11	24 Å²	24	5%	0.051	13%	0.126	C	C	.	.			trans	-82.7	174.5	168.4	58.7	-93.7	0	0	0	110.4	V328 S363 A364 L378 G379	V328-H366 PolarHBondContact O-CE1 3.26Å; V328-H366 VanDerWaalsContact O-CE1 3.27Å; V328-H366 PolarHBondContact O-NE2 3.33Å; S363-H366 PolarHBondContact O-CE1 3.06Å; S363-H366 VanDerWaalsContact O-CE1 3.24Å; S363-H366 PolarHBondContact O-ND1 3.04Å; S363-H366 VanDerWaalsContact O-ND1 3.11Å; S363-H366 WeakPolarHBondContact OG-CB 3.1Å; S363-H366 PolarHBondContact OG-ND1 3.05Å; A364-H366 PolarHBondContact O-N 3.48Å; H366-L378 WeakPolarHBondContact CA-O 3.14Å; H366-L378 VanDerWaalsContact CB-O 3.24Å; H366-L378 WeakPolarHBondContact CB-O 3.49Å; H366-G379 WeakPolarHBondContact CB-O 3.39Å
367	C	98.1	Very high	95.8	Very high	16 Å²	16	23.8 Å²	23.8	11%	0.108	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.6	166.6	-73	0	0	0	0	110.7	L378 F418 A420	C367-L378 PolarHBondContact N-O 3.2Å; C367-L378 VanDerWaalsContact N-O 3.12Å; C367-L378 PolarHBondContact O-N 2.8Å; C367-F418 HydrophobicContact CB-CE2 4.09Å; C367-F418 HydrophobicContact CB-CZ 4.3Å; C367-F418 PolarHBondContact SG-O 2.77Å; C367-A420 HydrophobicContact CB-CB 3.61Å; C367-A420 PolarHBondContact SG-N 3.33Å; C367-A420 VanDerWaalsContact SG-N 3.4Å
368	V	98.3	Very high	96	Very high	20 Å²	20	23.5 Å²	23.5	12%	0.121	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.4	168.9	-178.8	0	0	0	0	108.5	V328 L375 F376 V377 A615 V617	V328-V368 HydrophobicContact CB-CG2 3.9Å; V328-V368 HydrophobicContact CG1-CG2 3.79Å; V328-V368 HydrophobicContact CG2-CG2 4.14Å; V368-L375 HydrophobicContact CG1-CB 3.97Å; V368-F376 CarbonylContact C-O 3.55Å; V368-F376 VanDerWaalsContact CA-O 3.31Å; V368-F376 WeakPolarHBondContact CA-O 3.42Å; V368-V377 HydrophobicContact CG2-CG2 4.11Å; V368-A615 HydrophobicContact CB-CB 3.83Å; V368-A615 HydrophobicContact CG2-CB 3.47Å; V368-A615 VanDerWaalsContact CG2-CB 3.47Å; V368-V617 HydrophobicContact CG1-CB 4.43Å; V368-V617 HydrophobicContact CG1-CG1 4.11Å
369	V	98.3	Very high	96.2	Very high	10 Å²	10	19.8 Å²	19.8	6%	0.061	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.2	178.9	-175.4	0	0	0	0	109.5	V371 F376 L378 A420 R422 L427	V369-V371 HydrophobicContact CG1-CG2 4.28Å; V369-F376 PolarHBondContact N-O 3.03Å; V369-F376 PolarHBondContact O-N 3.19Å; V369-L378 HydrophobicContact CG2-CD1 3.95Å; V369-A420 HydrophobicContact CG2-CB 4.04Å; V369-R422 HydrophobicContact CG1-CB 3.64Å; V369-L427 HydrophobicContact CB-CD2 4.36Å; V369-L427 HydrophobicContact CG1-CD2 3.82Å
370	E	97.2	Very high	96.3	Very high	68 Å²	68	19.5 Å²	19.5	32%	0.318	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.2	172.6	-176.3	-80.4	129.8	0	0	110.6	E372 N373 F374 L375 V617	E370-E372 WeakPolarHBondContact OE1-CA 3.35Å; E370-E372 PolarHBondContact OE1-N 2.81Å; E370-N373 PolarHBondContact OE1-N 3.29Å; E370-F374 WeakPolarHBondContact CA-O 3.34Å; E370-L375 HydrophobicContact CB-CD2 4.2Å; E370-L375 HydrophobicContact CG-CD2 4.33Å; E370-V617 HydrophobicContact CB-CG2 3.78Å
371	V	96.8	Very high	96.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	100.3	178.3	-171.9	0	0	0	0	109.5	H309 V369 N373 F374 F376 R422 L427 L447	H309-V371 HydrophobicContact CB-CG1 4.28Å; V369-V371 HydrophobicContact CG1-CG2 4.28Å; V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 3Å; V371-F374 PolarHBondContact N-O 2.87Å; V371-F374 WeakPolarHBondContact O-CB 3.49Å; V371-F374 WeakPolarHBondContact O-CD2 3.36Å; V371-F374 PolarHBondContact O-N 3.15Å; V371-F374 VanDerWaalsContact O-N 3.09Å; V371-F376 HydrophobicContact CB-CD2 3.92Å; V371-F376 HydrophobicContact CB-CE2 3.65Å; V371-F376 HydrophobicContact CG1-CE2 4.3Å; V371-F376 HydrophobicContact CG2-CD2 3.54Å; V371-F376 HydrophobicContact CG2-CE2 3.68Å; V371-F376 HydrophobicContact CG2-CG 4.33Å; V371-R422 HydrophobicContact CG2-CG 4.49Å; V371-L427 HydrophobicContact CG2-CD2 3.79Å; V371-L447 HydrophobicContact CG1-CD1 3.73Å; V371-L447 HydrophobicContact CG1-CD2 4.34Å
372	E	94.2	Very high	96.4	Very high	55 Å²	55	17.2 Å²	17.2	26%	0.257	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	44.6	177.5	-58.8	-58.3	132.9	0	0	113.4	H309 Q312 R317 E370 F374 R422	H309-E372 HydrophobicContact CB-CB 4.26Å; H309-E372 WeakPolarHBondContact O-CG 3.22Å; Q312-E372 HydrophobicContact CG-CB 3.6Å; Q312-E372 HydrophobicContact CG-CG 4.29Å; R317-E372 IonicContact NH2-OE2 2.64Å; R317-E372 PolarHBondContact NH2-OE2 2.86Å; E370-E372 WeakPolarHBondContact OE1-CA 3.35Å; E370-E372 PolarHBondContact OE1-N 2.81Å; E372-F374 VanDerWaalsContact C-N 3.32Å; E372-F374 VanDerWaalsContact O-CD2 3.31Å; E372-F374 WeakPolarHBondContact O-CD2 3.04Å; E372-R422 IonicContact OE1-CZ 2.98Å; E372-R422 VanDerWaalsContact OE1-CZ 3.28Å; E372-R422 IonicContact OE1-NH1 2.6Å; E372-R422 PolarHBondContact OE1-NH1 3.26Å; E372-R422 IonicContact OE1-NH2 2.81Å; E372-R422 PolarHBondContact OE1-NH2 3.17Å
373	N	94.9	Very high	96.3	Very high	31 Å²	31	19.2 Å²	19.2	17%	0.166	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	18.4	-176.4	-151.7	77.5	0	0	0	115.7	E370 V371 P400 V619 I620	E370-N373 PolarHBondContact OE1-N 3.29Å; V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 3Å; N373-P400 WeakPolarHBondContact ND2-CG 3.32Å; N373-P400 VanDerWaalsContact O-CD 3.23Å; N373-P400 WeakPolarHBondContact O-CD 3.47Å; N373-P400 WeakPolarHBondContact O-CG 3.48Å; N373-V619 WeakPolarHBondContact OD1-CG2 3.35Å; N373-I620 PolarHBondContact ND2-O 2.64Å; N373-I620 WeakPolarHBondContact OD1-CA 3.43Å; N373-I620 VanDerWaalsContact OD1-CB 3.28Å; N373-I620 WeakPolarHBondContact OD1-CB 3.48Å; N373-I620 PolarHBondContact OD1-N 3.23Å
374	F	96.6	Very high	96	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.3	165.5	-60.8	-97.4	0	0	0	109.7	Q308 H309 E370 V371 E372 F376 R397 D399	Q308-F374 HydrophobicContact CB-CE1 4.34Å; Q308-F374 HydrophobicContact CB-CZ 3.81Å; H309-F374 HydrophobicContact CB-CD2 3.5Å; H309-F374 VanDerWaalsContact CB-CD2 3.5Å; H309-F374 HydrophobicContact CB-CE2 3.8Å; H309-F374 HydrophobicContact CB-CG 4.24Å; E370-F374 WeakPolarHBondContact CA-O 3.34Å; V371-F374 PolarHBondContact N-O 2.87Å; V371-F374 WeakPolarHBondContact O-CB 3.49Å; V371-F374 WeakPolarHBondContact O-CD2 3.36Å; V371-F374 PolarHBondContact O-N 3.15Å; V371-F374 VanDerWaalsContact O-N 3.09Å; E372-F374 VanDerWaalsContact C-N 3.32Å; E372-F374 VanDerWaalsContact O-CD2 3.31Å; E372-F374 WeakPolarHBondContact O-CD2 3.04Å; F374-F376 HydrophobicContact CB-CE2 4.24Å; F374-R397 HydrophobicContact CB-CG 3.96Å; F374-R397 HydrophobicContact CD1-CG 4.48Å; F374-R397 VanDerWaalsContact CE1-CZ 3.47Å; F374-D399 HydrophobicContact CD1-CB 3.95Å; F374-D399 HydrophobicContact CE1-CB 3.89Å; F374-D399 WeakPolarHBondContact CE1-OD2 3.28Å
375	L	97.8	Very high	95.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.5	177.3	-50.2	-179.9	0	0	0	110	L326 V368 E370 R397 Y398 V617 V619	L326-L375 HydrophobicContact CD2-CD1 3.64Å; V368-L375 HydrophobicContact CG1-CB 3.97Å; E370-L375 HydrophobicContact CB-CD2 4.2Å; E370-L375 HydrophobicContact CG-CD2 4.33Å; L375-R397 CarbonylContact O-C 3.6Å; L375-R397 VanDerWaalsContact O-CA 3.26Å; L375-R397 WeakPolarHBondContact O-CA 3.39Å; L375-Y398 HydrophobicContact CD1-CD1 4.07Å; L375-Y398 HydrophobicContact CG-CD1 4.33Å; L375-Y398 PolarHBondContact N-O 3.1Å; L375-Y398 PolarHBondContact O-N 2.77Å; L375-V617 HydrophobicContact CD1-CG1 4.03Å; L375-V617 HydrophobicContact CD2-CG1 3.82Å; L375-V617 HydrophobicContact CD2-CG2 4.12Å; L375-V619 HydrophobicContact CD2-CB 4.36Å; L375-V619 HydrophobicContact CD2-CG2 3.98Å; L375-V619 HydrophobicContact CG-CG2 4.41Å
376	F	98.4	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.1	173.8	-74.4	-113.5	0	0	0	108.6	H309 V368 V369 V371 F374 S396 R397 L408 L427 Y445 L447	H309-F376 AromaticContact CE1-CZ 3.97Å; H309-F376 AromaticContact ND1-CZ 3.93Å; V368-F376 CarbonylContact C-O 3.55Å; V368-F376 VanDerWaalsContact CA-O 3.31Å; V368-F376 WeakPolarHBondContact CA-O 3.42Å; V369-F376 PolarHBondContact N-O 3.03Å; V369-F376 PolarHBondContact O-N 3.19Å; V371-F376 HydrophobicContact CB-CD2 3.92Å; V371-F376 HydrophobicContact CB-CE2 3.65Å; V371-F376 HydrophobicContact CG1-CE2 4.3Å; V371-F376 HydrophobicContact CG2-CD2 3.54Å; V371-F376 HydrophobicContact CG2-CE2 3.68Å; V371-F376 HydrophobicContact CG2-CG 4.33Å; F374-F376 HydrophobicContact CB-CE2 4.24Å; F376-S396 CarbonylContact C-O 3.56Å; F376-S396 WeakPolarHBondContact CA-O 3.19Å; F376-R397 HydrophobicContact CD1-CB 4.47Å; F376-R397 HydrophobicContact CD1-CG 4.47Å; F376-R397 HydrophobicContact CD2-CG 3.87Å; F376-R397 HydrophobicContact CE1-CB 4.47Å; F376-R397 HydrophobicContact CE1-CG 4.32Å; F376-R397 HydrophobicContact CE2-CG 3.64Å; F376-R397 HydrophobicContact CG-CG 4.28Å; F376-R397 HydrophobicContact CZ-CG 3.91Å; F376-L408 HydrophobicContact CD1-CD1 3.7Å; F376-L408 HydrophobicContact CE1-CD1 3.32Å; F376-L408 HydrophobicContact CZ-CD1 4.26Å; F376-L427 HydrophobicContact CB-CD1 4.07Å; F376-L427 HydrophobicContact CD1-CD1 3.57Å; F376-L427 HydrophobicContact CE1-CD1 4.14Å; F376-L427 HydrophobicContact CG-CD1 3.9Å; F376-Y445 HydrophobicContact CE1-CE1 4.17Å; F376-L447 HydrophobicContact CE1-CD2 4.04Å; F376-L447 HydrophobicContact CZ-CD2 3.92Å
377	V	98.3	Very high	94.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.8	173.2	-175.5	0	0	0	0	108.2	V328 M359 Y361 V368 V395 S396 W405	V328-V377 HydrophobicContact CG1-CG2 4.38Å; M359-V377 HydrophobicContact SD-CG1 3.94Å; M359-V377 HydrophobicContact SD-CG2 4.19Å; Y361-V377 HydrophobicContact CE2-CG1 4.29Å; V368-V377 HydrophobicContact CG2-CG2 4.11Å; V377-V395 WeakPolarHBondContact O-CA 3.32Å; V377-S396 PolarHBondContact N-O 3.18Å; V377-S396 PolarHBondContact O-N 3.19Å; V377-W405 HydrophobicContact CB-CZ3 4.49Å; V377-W405 HydrophobicContact CG2-CH2 3.83Å; V377-W405 HydrophobicContact CG2-CZ3 3.66Å
378	L	98.6	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.4	-170.2	-61.3	167	0	0	0	110.2	H366 C367 V369 V395 M411 F418 A420 V429 W452	H366-L378 WeakPolarHBondContact CA-O 3.14Å; H366-L378 VanDerWaalsContact CB-O 3.24Å; H366-L378 WeakPolarHBondContact CB-O 3.49Å; C367-L378 PolarHBondContact N-O 3.2Å; C367-L378 VanDerWaalsContact N-O 3.12Å; C367-L378 PolarHBondContact O-N 2.8Å; V369-L378 HydrophobicContact CG2-CD1 3.95Å; L378-V395 HydrophobicContact CD2-CB 4.33Å; L378-V395 HydrophobicContact CD2-CG1 3.72Å; L378-V395 HydrophobicContact CD2-CG2 3.89Å; L378-M411 HydrophobicContact CB-SD 4.46Å; L378-F418 HydrophobicContact CB-CE2 4.28Å; L378-F418 HydrophobicContact CB-CZ 3.94Å; L378-F418 WeakPolarHBondContact O-CZ 3.17Å; L378-A420 HydrophobicContact CD1-CB 3.54Å; L378-V429 HydrophobicContact CD1-CG2 4.17Å; L378-W452 HydrophobicContact CD2-CH2 4.35Å; L378-W452 HydrophobicContact CD2-CZ2 4.37Å
379	G	97.7	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.			trans	56	-133.8	167.9	0	0	0	0	0	115.3	S363 H366 T392 F394	S363-G379 PolarHBondContact OG-O 2.75Å; H366-G379 WeakPolarHBondContact CB-O 3.39Å; G379-T392 WeakPolarHBondContact CA-OG1 3.37Å; G379-T392 PolarHBondContact O-OG1 2.86Å; G379-F394 PolarHBondContact N-O 2.83Å
380	G	96.8	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.			trans	93	-158.3	-174.1	0	0	0	0	0	111.7	A364 S391 T392 R415	A364-G380 CarbonylContact O-C 3.56Å; A364-G380 VanDerWaalsContact O-CA 3.31Å; A364-G380 WeakPolarHBondContact O-CA 3.47Å; G380-S391 CarbonylContact O-C 3.54Å; G380-S391 WeakPolarHBondContact O-CA 3.43Å; G380-T392 PolarHBondContact O-N 3.37Å; G380-T392 PolarHBondContact O-OG1 3.31Å; G380-R415 PolarHBondContact N-O 2.84Å
381	E	94.5	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-126.9	140.6	174.8	64.8	-168.9	167.5	0	0	112	P339 S363 A364 H365 H390 A416 R433	P339-E381 WeakPolarHBondContact CG-O 3.31Å; S363-E381 WeakPolarHBondContact CA-O 3.49Å; A364-E381 PolarHBondContact N-O 3.26Å; A364-E381 PolarHBondContact O-N 3.37Å; H365-E381 IonicContact CE1-OE1 3.48Å; H365-E381 PolarHBondContact CE1-OE1 2.92Å; H365-E381 IonicContact CG-OE1 2.86Å; H365-E381 IonicContact ND1-OE1 2.95Å; H365-E381 PolarHBondContact ND1-OE1 2.99Å; E381-H390 WeakPolarHBondContact CA-O 3.14Å; E381-H390 HydrophobicContact CB-CB 4.46Å; E381-H390 WeakPolarHBondContact CB-O 3.36Å; E381-A416 HydrophobicContact CB-CB 4.07Å; E381-R433 VanDerWaalsContact CD-NH2 3.31Å; E381-R433 IonicContact OE1-NH2 2.69Å; E381-R433 PolarHBondContact OE1-NH2 2.79Å; E381-R433 IonicContact OE2-CZ 3.4Å; E381-R433 IonicContact OE2-NH1 2.73Å; E381-R433 IonicContact OE2-NH2 3.71Å; E381-R433 PolarHBondContact OE2-NH2 2.89Å
382	D	92.4	Very high	93.6	Very high	67 Å²	67	37.1 Å²	37.1	36%	0.358	18%	0.183	S	C	.	.	S	Bend	trans	-84.9	-15.1	178.9	63.5	21.4	0	0	0	113.5	P339 H390 T392	P339-D382 WeakPolarHBondContact CD-O 3.29Å; P339-D382 WeakPolarHBondContact CG-O 3.43Å; D382-H390 PolarHBondContact N-O 3.4Å; D382-H390 VanDerWaalsContact N-O 3.15Å; D382-H390 WeakPolarHBondContact OD1-CB 3.33Å; D382-H390 IonicContact OD1-CG 2.83Å; D382-H390 IonicContact OD1-ND1 3.32Å; D382-H390 PolarHBondContact OD1-ND1 3.12Å; D382-T392 HydrophobicContact CB-CG2 4.21Å
383	Q	90.8	Very high	93.8	Very high	86 Å²	86	35.8 Å²	35.8	40%	0.402	18%	0.177	S	C	.	.	S	Bend	trans	-148.7	141.9	169.3	-172.6	173.8	36.2	0	0	108.5	N385 H390	Q383-N385 PolarHBondContact O-N 2.78Å; Q383-H390 HydrophobicContact CB-CB 4.18Å; Q383-H390 WeakPolarHBondContact O-CB 3.42Å; Q383-H390 PolarHBondContact OE1-CE1 2.9Å; Q383-H390 VanDerWaalsContact OE1-CE1 3.3Å
384	W	87.9	Confident	93.9	Very high	102 Å²	102	37.9 Å²	37.9	39%	0.386	19%	0.185	S	C	.	.			trans	-66.3	120.3	176	-179.3	80.4	0	0	0	111.3	L331 R337 P386	L331-W384 HydrophobicContact CD1-CB 4.11Å; L331-W384 HydrophobicContact CD2-CB 3.92Å; L331-W384 HydrophobicContact CD2-CG 4Å; R337-W384 HydrophobicContact CB-CB 4.15Å; W384-P386 HydrophobicContact CH2-CB 4.47Å; W384-P386 HydrophobicContact CH2-CG 4.46Å
385	N	87.8	Confident	94	Very high	38 Å²	38	37.9 Å²	37.9	20%	0.203	19%	0.185	C	C	.	.			trans	-140.7	126.7	175.2	-175.7	-82.2	0	0	0	110.6	Q383 N387 G388 H390 R433	Q383-N385 PolarHBondContact O-N 2.78Å; N385-N387 VanDerWaalsContact C-N 3.26Å; N385-N387 PolarHBondContact O-N 3.05Å; N385-N387 WeakPolarHBondContact OD1-CA 3.37Å; N385-N387 WeakPolarHBondContact OD1-CB 3.27Å; N385-N387 PolarHBondContact OD1-N 2.88Å; N385-G388 PolarHBondContact O-N 2.87Å; N385-G388 PolarHBondContact OD1-N 3.28Å; N385-H390 HydrophobicContact CB-CB 4.37Å; N385-R433 PolarHBondContact O-NH1 3.17Å
386	P	83.8	Confident	94	Very high	82 Å²	82	37.9 Å²	37.9	53%	0.532	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.8	-175.6	24.3	-33.9	0	0	0	112.9	W384 G388 R433	W384-P386 HydrophobicContact CH2-CB 4.47Å; W384-P386 HydrophobicContact CH2-CG 4.46Å; P386-G388 VanDerWaalsContact C-N 3.26Å; P386-G388 PolarHBondContact O-N 3.27Å; P386-R433 PolarHBondContact O-NH1 3.4Å
387	N	86.5	Confident	94	Very high	122 Å²	122	38.1 Å²	38.1	65%	0.652	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	3.1	-178.9	-56.8	-5.8	0	0	0	112.9	N385 K389 N434 E435	N385-N387 VanDerWaalsContact C-N 3.26Å; N385-N387 PolarHBondContact O-N 3.05Å; N385-N387 WeakPolarHBondContact OD1-CA 3.37Å; N385-N387 WeakPolarHBondContact OD1-CB 3.27Å; N385-N387 PolarHBondContact OD1-N 2.88Å; N387-K389 VanDerWaalsContact C-N 3.25Å; N387-K389 PolarHBondContact O-N 2.85Å; N387-N434 CarbonylContact O-C 3.58Å; N387-N434 VanDerWaalsContact O-O 3.1Å; N387-E435 WeakPolarHBondContact O-CA 3.29Å
388	G	87.9	Confident	93.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	19%	0.186	C	C	.	.			trans	72.5	11	175.9	0	0	0	0	0	115.3	N385 P386 H390 S391 N434 E435	N385-G388 PolarHBondContact O-N 2.87Å; N385-G388 PolarHBondContact OD1-N 3.28Å; P386-G388 VanDerWaalsContact C-N 3.26Å; P386-G388 PolarHBondContact O-N 3.27Å; G388-H390 PolarHBondContact O-N 3.23Å; G388-H390 VanDerWaalsContact O-N 3.1Å; G388-S391 VanDerWaalsContact O-CB 3.32Å; G388-S391 WeakPolarHBondContact O-CB 3.42Å; G388-S391 PolarHBondContact O-N 3.02Å; G388-S391 PolarHBondContact O-OG 2.78Å; G388-N434 CarbonylContact O-C 3.58Å; G388-E435 PolarHBondContact O-N 2.98Å
389	K	92.4	Very high	93.8	Very high	140 Å²	140	38.3 Å²	38.3	61%	0.609	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.1	-179.7	-174.6	-178.5	177.7	-171.6	0	114.1	N387	N387-K389 VanDerWaalsContact C-N 3.25Å; N387-K389 PolarHBondContact O-N 2.85Å
390	H	94.3	Very high	93.5	Very high	48 Å²	48	38.3 Å²	38.3	22%	0.222	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	14.3	-176.1	-76.7	-92.4	0	0	0	113.6	E381 D382 Q383 N385 G388	E381-H390 WeakPolarHBondContact CA-O 3.14Å; E381-H390 HydrophobicContact CB-CB 4.46Å; E381-H390 WeakPolarHBondContact CB-O 3.36Å; D382-H390 PolarHBondContact N-O 3.4Å; D382-H390 VanDerWaalsContact N-O 3.15Å; D382-H390 WeakPolarHBondContact OD1-CB 3.33Å; D382-H390 IonicContact OD1-CG 2.83Å; D382-H390 IonicContact OD1-ND1 3.32Å; D382-H390 PolarHBondContact OD1-ND1 3.12Å; Q383-H390 HydrophobicContact CB-CB 4.18Å; Q383-H390 WeakPolarHBondContact O-CB 3.42Å; Q383-H390 PolarHBondContact OE1-CE1 2.9Å; Q383-H390 VanDerWaalsContact OE1-CE1 3.3Å; N385-H390 HydrophobicContact CB-CB 4.37Å; G388-H390 PolarHBondContact O-N 3.23Å; G388-H390 VanDerWaalsContact O-N 3.1Å
391	S	97	Very high	93.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-68	138	176.4	-54.4	0	0	0	0	111	G380 G388 R414 R433	G380-S391 CarbonylContact O-C 3.54Å; G380-S391 WeakPolarHBondContact O-CA 3.43Å; G388-S391 VanDerWaalsContact O-CB 3.32Å; G388-S391 WeakPolarHBondContact O-CB 3.42Å; G388-S391 PolarHBondContact O-N 3.02Å; G388-S391 PolarHBondContact O-OG 2.78Å; S391-R414 WeakPolarHBondContact O-CB 3.46Å; S391-R414 WeakPolarHBondContact O-CD 3.49Å; S391-R414 WeakPolarHBondContact O-CG 3.33Å; S391-R414 PolarHBondContact O-NH1 3.07Å; S391-R433 PolarHBondContact OG-O 2.84Å
392	T	97.4	Very high	92.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	20%	0.204	C	C	.	.			trans	-108.8	163.3	-179.8	76.5	0	0	0	0	110.9	G379 G380 D382 F394 R414 R415	G379-T392 WeakPolarHBondContact CA-OG1 3.37Å; G379-T392 PolarHBondContact O-OG1 2.86Å; G380-T392 PolarHBondContact O-N 3.37Å; G380-T392 PolarHBondContact O-OG1 3.31Å; D382-T392 HydrophobicContact CB-CG2 4.21Å; T392-F394 HydrophobicContact CG2-CD2 4.12Å; T392-F394 HydrophobicContact CG2-CE2 4.17Å; T392-R414 WeakPolarHBondContact O-CA 3.23Å; T392-R415 PolarHBondContact O-N 3.49Å
393	N	98	Very high	92.8	Very high	27 Å²	27	40.4 Å²	40.4	14%	0.144	19%	0.194	C	C	.	.			trans	-119.5	15.1	171.5	63.8	-27.4	0	0	0	112.1	P410 M411 E413 R414	N393-P410 HydrophobicContact CB-CB 4.47Å; N393-P410 CarbonylContact O-C 3.59Å; N393-P410 VanDerWaalsContact O-CA 3.23Å; N393-P410 WeakPolarHBondContact O-CA 3.39Å; N393-P410 WeakPolarHBondContact O-CB 3.29Å; N393-M411 HydrophobicContact CB-CB 4.11Å; N393-M411 HydrophobicContact CB-CE 4.47Å; N393-M411 WeakPolarHBondContact CB-O 3.28Å; N393-M411 PolarHBondContact ND2-O 3.04Å; N393-M411 PolarHBondContact O-N 2.77Å; N393-E413 VanDerWaalsContact CB-O 3.32Å; N393-E413 WeakPolarHBondContact CB-O 3.14Å; N393-R414 HydrophobicContact CB-CG 4.1Å
394	F	97.7	Very high	92.9	Very high	76 Å²	76	38.5 Å²	38.5	33%	0.333	19%	0.191	S	C	.	.			trans	-68.1	146.7	-176	-59	-43.8	0	0	0	111.7	Y361 G379 T392	Y361-F394 HydrophobicContact CD1-CB 4.37Å; Y361-F394 HydrophobicContact CD1-CD2 4.23Å; Y361-F394 HydrophobicContact CE1-CB 3.72Å; Y361-F394 HydrophobicContact CE1-CD2 4.41Å; Y361-F394 HydrophobicContact CE1-CG 4.38Å; Y361-F394 HydrophobicContact CE2-CB 4.48Å; Y361-F394 HydrophobicContact CG-CD2 4.39Å; G379-F394 PolarHBondContact N-O 2.83Å; T392-F394 HydrophobicContact CG2-CD2 4.12Å; T392-F394 HydrophobicContact CG2-CE2 4.17Å
395	V	98.2	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.4	176.6	-177	0	0	0	0	107.6	V377 L378 L408 P409 M411 W452	V377-V395 WeakPolarHBondContact O-CA 3.32Å; L378-V395 HydrophobicContact CD2-CB 4.33Å; L378-V395 HydrophobicContact CD2-CG1 3.72Å; L378-V395 HydrophobicContact CD2-CG2 3.89Å; V395-L408 HydrophobicContact CB-CB 4.17Å; V395-L408 HydrophobicContact CG1-CB 3.8Å; V395-L408 HydrophobicContact CG1-CD1 4.09Å; V395-L408 HydrophobicContact CG1-CG 4.48Å; V395-L408 PolarHBondContact O-N 2.79Å; V395-P409 WeakPolarHBondContact CG2-O 3.29Å; V395-M411 HydrophobicContact CG2-CG 3.84Å; V395-W452 HydrophobicContact CG2-CZ2 3.89Å
396	S	97.8	Very high	93.8	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.2	176.3	-67.3	0	0	0	0	110.5	Y361 F376 V377 I406	Y361-S396 VanDerWaalsContact CE1-OG 3.29Å; Y361-S396 WeakPolarHBondContact CE1-OG 3.46Å; F376-S396 CarbonylContact C-O 3.56Å; F376-S396 WeakPolarHBondContact CA-O 3.19Å; V377-S396 PolarHBondContact N-O 3.18Å; V377-S396 PolarHBondContact O-N 3.19Å; S396-I406 CarbonylContact C-O 3.52Å; S396-I406 WeakPolarHBondContact CA-O 3.42Å
397	R	97.8	Very high	94.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.1	176.2	-170.7	-163.8	71.6	147.1	1.3	110.4	P305 F374 L375 F376 W405 I406 L408	P305-R397 PolarHBondContact O-NH1 2.84Å; P305-R397 PolarHBondContact O-NH2 2.81Å; F374-R397 HydrophobicContact CB-CG 3.96Å; F374-R397 HydrophobicContact CD1-CG 4.48Å; F374-R397 VanDerWaalsContact CE1-CZ 3.47Å; L375-R397 CarbonylContact O-C 3.6Å; L375-R397 VanDerWaalsContact O-CA 3.26Å; L375-R397 WeakPolarHBondContact O-CA 3.39Å; F376-R397 HydrophobicContact CD1-CB 4.47Å; F376-R397 HydrophobicContact CD1-CG 4.47Å; F376-R397 HydrophobicContact CD2-CG 3.87Å; F376-R397 HydrophobicContact CE1-CB 4.47Å; F376-R397 HydrophobicContact CE1-CG 4.32Å; F376-R397 HydrophobicContact CE2-CG 3.64Å; F376-R397 HydrophobicContact CG-CG 4.28Å; F376-R397 HydrophobicContact CZ-CG 3.91Å; R397-W405 WeakPolarHBondContact O-CA 3.41Å; R397-I406 HydrophobicContact CB-CG1 3.93Å; R397-I406 PolarHBondContact N-O 2.82Å; R397-I406 PolarHBondContact O-N 2.79Å; R397-L408 HydrophobicContact CB-CD1 3.88Å; R397-L408 HydrophobicContact CB-CG 4.39Å
398	Y	97.6	Very high	94.9	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.9	170.7	-177.3	-122.3	0	0	0	111.5	L356 T357 L375 P400 N403 S404 W405	L356-Y398 HydrophobicContact CD2-CE1 3.86Å; L356-Y398 WeakPolarHBondContact CG-OH 3.42Å; T357-Y398 HydrophobicContact CG2-CD2 4.13Å; T357-Y398 HydrophobicContact CG2-CE1 4.45Å; T357-Y398 HydrophobicContact CG2-CE2 3.58Å; L375-Y398 HydrophobicContact CD1-CD1 4.07Å; L375-Y398 HydrophobicContact CG-CD1 4.33Å; L375-Y398 PolarHBondContact N-O 3.1Å; L375-Y398 PolarHBondContact O-N 2.77Å; Y398-P400 HydrophobicContact CD1-CB 4.35Å; Y398-P400 HydrophobicContact CE1-CB 3.75Å; Y398-N403 VanDerWaalsContact CE2-OD1 3.29Å; Y398-N403 WeakPolarHBondContact CE2-OD1 3.39Å; Y398-N403 PolarHBondContact OH-OD1 3.04Å; Y398-S404 WeakPolarHBondContact CD2-O 3.44Å; Y398-W405 AromaticContact CD2-CD2 3.87Å; Y398-W405 HydrophobicContact CD2-CD2 3.87Å; Y398-W405 AromaticContact CD2-CE2 3.52Å; Y398-W405 HydrophobicContact CD2-CE3 4.46Å; Y398-W405 HydrophobicContact CD2-CG 4.27Å; Y398-W405 HydrophobicContact CD2-CH2 4.44Å; Y398-W405 AromaticContact CD2-CZ2 3.84Å; Y398-W405 HydrophobicContact CD2-CZ2 3.84Å; Y398-W405 AromaticContact CD2-NE1 3.68Å; Y398-W405 HydrophobicContact CG-CD2 4.44Å; Y398-W405 HydrophobicContact CG-CH2 4.29Å; Y398-W405 HydrophobicContact CG-CZ2 4.09Å
399	D	94.7	Very high	95.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	102.6	170.8	-172.2	-11.3	0	0	0	110.1	F374 R401 F402 N403 S404	F374-D399 HydrophobicContact CD1-CB 3.95Å; F374-D399 HydrophobicContact CE1-CB 3.89Å; F374-D399 WeakPolarHBondContact CE1-OD2 3.28Å; D399-R401 PolarHBondContact O-N 3.27Å; D399-R401 VanDerWaalsContact O-N 3.11Å; D399-R401 WeakPolarHBondContact OD1-CB 3.5Å; D399-R401 WeakPolarHBondContact OD1-CG 3.41Å; D399-R401 IonicContact OD1-CZ 3.03Å; D399-R401 PolarHBondContact OD1-N 3.28Å; D399-R401 IonicContact OD1-NE 2.85Å; D399-R401 PolarHBondContact OD1-NE 3.24Å; D399-R401 IonicContact OD1-NH2 3.7Å; D399-R401 IonicContact OD2-CZ 3.25Å; D399-R401 IonicContact OD2-NE 3.84Å; D399-R401 PolarHBondContact OD2-NE 2.77Å; D399-R401 IonicContact OD2-NH2 2.69Å; D399-R401 PolarHBondContact OD2-NH2 3.02Å; D399-F402 PolarHBondContact O-N 3.06Å; D399-F402 WeakPolarHBondContact OD2-CD2 3.43Å; D399-N403 WeakPolarHBondContact O-CA 3.5Å; D399-N403 PolarHBondContact O-N 3.34Å; D399-S404 PolarHBondContact N-O 2.86Å; D399-S404 PolarHBondContact O-N 3.28Å
400	P	92.4	Very high	95.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.3	-179.4	27.8	-34.9	0	0	0	113.6	I318 N373 Y398 V619 L621 P622	I318-P400 HydrophobicContact CD1-CG 4.31Å; N373-P400 WeakPolarHBondContact ND2-CG 3.32Å; N373-P400 VanDerWaalsContact O-CD 3.23Å; N373-P400 WeakPolarHBondContact O-CD 3.47Å; N373-P400 WeakPolarHBondContact O-CG 3.48Å; Y398-P400 HydrophobicContact CD1-CB 4.35Å; Y398-P400 HydrophobicContact CE1-CB 3.75Å; P400-V619 HydrophobicContact CG-CG2 4.14Å; P400-L621 HydrophobicContact CB-CD2 3.85Å; P400-P622 WeakPolarHBondContact O-CD 3.42Å; P400-P622 VanDerWaalsContact O-CG 3.32Å; P400-P622 WeakPolarHBondContact O-CG 3.3Å
401	R	88.9	Confident	95.9	Very high	26 Å²	26	30 Å²	30	10%	0.098	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-31.3	-179	-52.1	173.5	-56.1	134	10.5	111.7	A268 L269 Y301 S316 I318 D399	A268-R401 PolarHBondContact O-NH1 2.87Å; L269-R401 HydrophobicContact CD2-CB 4.26Å; L269-R401 HydrophobicContact CD2-CG 4.14Å; Y301-R401 VanDerWaalsContact CE1-NH1 3.35Å; Y301-R401 PolarHBondContact OH-NH1 2.92Å; Y301-R401 PolarHBondContact OH-NH2 2.88Å; S316-R401 PolarHBondContact O-NH1 3.26Å; I318-R401 HydrophobicContact CD1-CG 3.78Å; I318-R401 HydrophobicContact CG1-CG 3.63Å; D399-R401 PolarHBondContact O-N 3.27Å; D399-R401 VanDerWaalsContact O-N 3.11Å; D399-R401 WeakPolarHBondContact OD1-CB 3.5Å; D399-R401 WeakPolarHBondContact OD1-CG 3.41Å; D399-R401 IonicContact OD1-CZ 3.03Å; D399-R401 PolarHBondContact OD1-N 3.28Å; D399-R401 IonicContact OD1-NE 2.85Å; D399-R401 PolarHBondContact OD1-NE 3.24Å; D399-R401 IonicContact OD1-NH2 3.7Å; D399-R401 IonicContact OD2-CZ 3.25Å; D399-R401 IonicContact OD2-NE 3.84Å; D399-R401 PolarHBondContact OD2-NE 2.77Å; D399-R401 IonicContact OD2-NH2 2.69Å; D399-R401 PolarHBondContact OD2-NH2 3.02Å
402	F	89	Confident	95.9	Very high	58 Å²	58	34.4 Å²	34.4	25%	0.254	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	4.6	-179.1	-56.7	-59.9	0	0	0	112.9	L269 P271 H302 D399 S404	L269-F402 WeakPolarHBondContact O-CE1 3.23Å; P271-F402 HydrophobicContact CG-CD1 4.23Å; P271-F402 HydrophobicContact CG-CE1 4.01Å; H302-F402 AromaticContact CE1-CE2 3.86Å; H302-F402 AromaticContact CE1-CZ 3.74Å; D399-F402 PolarHBondContact O-N 3.06Å; D399-F402 WeakPolarHBondContact OD2-CD2 3.43Å; F402-S404 VanDerWaalsContact C-N 3.25Å; F402-S404 PolarHBondContact O-N 2.92Å
403	N	91.1	Very high	95.9	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.139	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	47.9	-172.1	-170.7	16.8	0	0	0	112.2	T357 Y398 D399 P626 N628	T357-N403 WeakPolarHBondContact CB-OD1 3.26Å; T357-N403 PolarHBondContact OG1-OD1 2.85Å; Y398-N403 VanDerWaalsContact CE2-OD1 3.29Å; Y398-N403 WeakPolarHBondContact CE2-OD1 3.39Å; Y398-N403 PolarHBondContact OH-OD1 3.04Å; D399-N403 WeakPolarHBondContact O-CA 3.5Å; D399-N403 PolarHBondContact O-N 3.34Å; N403-P626 HydrophobicContact CB-CG 3.85Å; N403-P626 PolarHBondContact ND2-O 3.44Å; N403-N628 PolarHBondContact ND2-OD1 3.2Å
404	S	93	Very high	95.9	Very high	47 Å²	47	40.6 Å²	40.6	33%	0.329	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.8	-171.1	68.5	0	0	0	0	112.8	Y398 D399 F402	Y398-S404 WeakPolarHBondContact CD2-O 3.44Å; D399-S404 PolarHBondContact N-O 2.86Å; D399-S404 PolarHBondContact O-N 3.28Å; F402-S404 VanDerWaalsContact C-N 3.25Å; F402-S404 PolarHBondContact O-N 2.92Å
405	W	96.8	Very high	95.9	Very high	51 Å²	51	37 Å²	37	19%	0.193	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.2	-178.6	-66.8	92.1	0	0	0	110.6	V343 T357 I358 M359 P360 V377 R397 Y398	V343-W405 HydrophobicContact CG2-CH2 4.21Å; V343-W405 HydrophobicContact CG2-CZ2 3.85Å; T357-W405 HydrophobicContact CG2-CZ2 3.8Å; I358-W405 PolarHBondContact O-NE1 2.92Å; M359-W405 HydrophobicContact CB-CH2 4.34Å; M359-W405 HydrophobicContact CB-CZ2 4.32Å; M359-W405 HydrophobicContact CG-CH2 3.73Å; M359-W405 HydrophobicContact CG-CZ2 3.89Å; P360-W405 HydrophobicContact CG-CB 3.84Å; P360-W405 HydrophobicContact CG-CD2 3.97Å; P360-W405 HydrophobicContact CG-CE3 4.11Å; P360-W405 HydrophobicContact CG-CG 3.87Å; V377-W405 HydrophobicContact CB-CZ3 4.49Å; V377-W405 HydrophobicContact CG2-CH2 3.83Å; V377-W405 HydrophobicContact CG2-CZ3 3.66Å; R397-W405 WeakPolarHBondContact O-CA 3.41Å; Y398-W405 AromaticContact CD2-CD2 3.87Å; Y398-W405 HydrophobicContact CD2-CD2 3.87Å; Y398-W405 AromaticContact CD2-CE2 3.52Å; Y398-W405 HydrophobicContact CD2-CE3 4.46Å; Y398-W405 HydrophobicContact CD2-CG 4.27Å; Y398-W405 HydrophobicContact CD2-CH2 4.44Å; Y398-W405 AromaticContact CD2-CZ2 3.84Å; Y398-W405 HydrophobicContact CD2-CZ2 3.84Å; Y398-W405 AromaticContact CD2-NE1 3.68Å; Y398-W405 HydrophobicContact CG-CD2 4.44Å; Y398-W405 HydrophobicContact CG-CH2 4.29Å; Y398-W405 HydrophobicContact CG-CZ2 4.09Å
406	I	96.8	Very high	95.9	Very high	46 Å²	46	37 Å²	37	24%	0.236	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.3	164.2	64.4	172.4	0	0	0	110	P305 F306 S396 R397 L408	P305-I406 HydrophobicContact CB-CD1 4.23Å; F306-I406 HydrophobicContact CB-CD1 4.38Å; S396-I406 CarbonylContact C-O 3.52Å; S396-I406 WeakPolarHBondContact CA-O 3.42Å; R397-I406 HydrophobicContact CB-CG1 3.93Å; R397-I406 PolarHBondContact N-O 2.82Å; R397-I406 PolarHBondContact O-N 2.79Å; I406-L408 HydrophobicContact CD1-CD2 3.92Å; I406-L408 HydrophobicContact CG1-CD2 4.31Å
407	Q	97.1	Very high	95.8	Very high	145 Å²	145	37.7 Å²	37.7	68%	0.678	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	141.8	168	-172.9	172.5	-15	0	0	109.5
408	L	97.6	Very high	95.8	Very high	9 Å²	9	38 Å²	38	5%	0.047	19%	0.187	C	C	.	.			trans	-118.1	170.6	177	-64.4	179.8	0	0	0	109.8	F306 F376 V395 R397 I406	F306-L408 HydrophobicContact CB-CD2 3.8Å; F376-L408 HydrophobicContact CD1-CD1 3.7Å; F376-L408 HydrophobicContact CE1-CD1 3.32Å; F376-L408 HydrophobicContact CZ-CD1 4.26Å; V395-L408 HydrophobicContact CB-CB 4.17Å; V395-L408 HydrophobicContact CG1-CB 3.8Å; V395-L408 HydrophobicContact CG1-CD1 4.09Å; V395-L408 HydrophobicContact CG1-CG 4.48Å; V395-L408 PolarHBondContact O-N 2.79Å; R397-L408 HydrophobicContact CB-CD1 3.88Å; R397-L408 HydrophobicContact CB-CG 4.39Å; I406-L408 HydrophobicContact CD1-CD2 3.92Å; I406-L408 HydrophobicContact CG1-CD2 4.31Å
409	P	98	Very high	95.9	Very high	40 Å²	40	39.8 Å²	39.8	26%	0.26	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-54.7	130.3	174.9	-27.7	37.7	0	0	0	111.2	V395 N450 W452	V395-P409 WeakPolarHBondContact CG2-O 3.29Å; P409-N450 WeakPolarHBondContact CD-OD1 3.15Å; P409-N450 VanDerWaalsContact CG-ND2 3.27Å; P409-N450 WeakPolarHBondContact CG-ND2 3.48Å; P409-W452 PolarHBondContact O-NE1 2.97Å
410	P	98.4	Very high	96.1	Very high	62 Å²	62	40 Å²	40	40%	0.403	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-68	158.5	-178.5	30.8	-36.3	0	0	0	111.2	N393 W452	N393-P410 HydrophobicContact CB-CB 4.47Å; N393-P410 CarbonylContact O-C 3.59Å; N393-P410 VanDerWaalsContact O-CA 3.23Å; N393-P410 WeakPolarHBondContact O-CA 3.39Å; N393-P410 WeakPolarHBondContact O-CB 3.29Å; P410-W452 PolarHBondContact O-NE1 3.48Å
411	M	98.4	Very high	96.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-61.6	153.3	168.8	-51.6	-178	-61.6	0	0	109.6	L378 N393 V395 R415 F418 V429 W452	L378-M411 HydrophobicContact CB-SD 4.46Å; N393-M411 HydrophobicContact CB-CB 4.11Å; N393-M411 HydrophobicContact CB-CE 4.47Å; N393-M411 WeakPolarHBondContact CB-O 3.28Å; N393-M411 PolarHBondContact ND2-O 3.04Å; N393-M411 PolarHBondContact O-N 2.77Å; V395-M411 HydrophobicContact CG2-CG 3.84Å; M411-R415 HydrophobicContact CE-CB 4.26Å; M411-F418 HydrophobicContact CE-CZ 4.08Å; M411-F418 HydrophobicContact SD-CE2 4.44Å; M411-F418 HydrophobicContact SD-CZ 4.28Å; M411-V429 HydrophobicContact SD-CB 4.34Å; M411-V429 HydrophobicContact SD-CG1 3.73Å; M411-V429 HydrophobicContact SD-CG2 3.86Å; M411-W452 HydrophobicContact CG-CH2 3.78Å; M411-W452 HydrophobicContact CG-CZ2 3.66Å; M411-W452 HydrophobicContact CG-CZ3 4.36Å; M411-W452 HydrophobicContact SD-CH2 4.35Å
412	Q	97.9	Very high	96.8	Very high	94 Å²	94	42.8 Å²	42.8	44%	0.439	21%	0.207	S	C	.	.	S	Bend	trans	-71.9	-35.3	-178.7	-62.4	169.5	93.8	0	0	111.4	E443 W452 Y454	Q412-E443 VanDerWaalsContact CB-OE2 3.22Å; Q412-E443 WeakPolarHBondContact CB-OE2 3.44Å; Q412-E443 WeakPolarHBondContact CG-OE2 3.37Å; Q412-E443 PolarHBondContact N-OE2 3.26Å; Q412-E443 PolarHBondContact NE2-OE2 3Å; Q412-W452 HydrophobicContact CG-CB 4.3Å; Q412-Y454 HydrophobicContact CB-CE2 4.37Å; Q412-Y454 WeakPolarHBondContact CB-OH 3.27Å; Q412-Y454 VanDerWaalsContact CD-CE2 3.43Å; Q412-Y454 VanDerWaalsContact NE2-CE2 3.29Å
413	E	96.9	Very high	97.2	Very high	42 Å²	42	40.6 Å²	40.6	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	-106.7	150.7	170.9	-67.9	171.8	-124	0	0	112.4	N393 R415 S441 E443 Y454	N393-E413 VanDerWaalsContact CB-O 3.32Å; N393-E413 WeakPolarHBondContact CB-O 3.14Å; E413-R415 HydrophobicContact CB-CG 4.33Å; E413-R415 IonicContact OE1-CZ 3.88Å; E413-R415 IonicContact OE1-NH2 3.43Å; E413-R415 PolarHBondContact OE1-NH2 2.96Å; E413-R415 IonicContact OE2-CZ 2.72Å; E413-R415 IonicContact OE2-NH1 3.88Å; E413-R415 PolarHBondContact OE2-NH1 2.95Å; E413-R415 IonicContact OE2-NH2 3.3Å; E413-R415 PolarHBondContact OE2-NH2 3.06Å; E413-S441 WeakPolarHBondContact OE1-CB 3.38Å; E413-S441 PolarHBondContact OE1-OG 3Å; E413-S441 PolarHBondContact OE2-OG 2.89Å; E413-E443 PolarHBondContact N-OE1 2.94Å; E413-Y454 PolarHBondContact OE1-OH 3.45Å
414	R	98.1	Very high	97.3	Very high	116 Å²	116	45.2 Å²	45.2	44%	0.438	22%	0.223	S	C	.	.			trans	-72.9	135	165.9	-68.6	169.6	179	-78.4	-7.7	109.1	S391 T392 N393 N434	S391-R414 WeakPolarHBondContact O-CB 3.46Å; S391-R414 WeakPolarHBondContact O-CD 3.49Å; S391-R414 WeakPolarHBondContact O-CG 3.33Å; S391-R414 PolarHBondContact O-NH1 3.07Å; T392-R414 WeakPolarHBondContact O-CA 3.23Å; N393-R414 HydrophobicContact CB-CG 4.1Å; R414-N434 HydrophobicContact CB-CB 4.3Å; R414-N434 VanDerWaalsContact O-CB 3.23Å; R414-N434 WeakPolarHBondContact O-CB 3.48Å; R414-N434 PolarHBondContact O-ND2 2.91Å
415	R	97.6	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.			trans	-148.3	130.5	-176.1	-54	179.8	-173.1	-82.3	-5.3	111.3	G380 T392 M411 E413 F418 V429 G431 L439 S441 E443	G380-R415 PolarHBondContact N-O 2.84Å; T392-R415 PolarHBondContact O-N 3.49Å; M411-R415 HydrophobicContact CE-CB 4.26Å; E413-R415 HydrophobicContact CB-CG 4.33Å; E413-R415 IonicContact OE1-CZ 3.88Å; E413-R415 IonicContact OE1-NH2 3.43Å; E413-R415 PolarHBondContact OE1-NH2 2.96Å; E413-R415 IonicContact OE2-CZ 2.72Å; E413-R415 IonicContact OE2-NH1 3.88Å; E413-R415 PolarHBondContact OE2-NH1 2.95Å; E413-R415 IonicContact OE2-NH2 3.3Å; E413-R415 PolarHBondContact OE2-NH2 3.06Å; R415-F418 HydrophobicContact CB-CB 4.4Å; R415-F418 HydrophobicContact CB-CD1 3.67Å; R415-F418 HydrophobicContact CB-CE1 4Å; R415-F418 HydrophobicContact CB-CG 4.06Å; R415-F418 WeakPolarHBondContact O-CD1 3.22Å; R415-F418 WeakPolarHBondContact O-CE1 3.39Å; R415-V429 VanDerWaalsContact CD-CG1 3.45Å; R415-G431 WeakPolarHBondContact CD-O 3.44Å; R415-G431 PolarHBondContact NH1-O 2.89Å; R415-G431 VanDerWaalsContact NH1-O 3.08Å; R415-L439 HydrophobicContact CG-CD1 3.81Å; R415-S441 PolarHBondContact NH1-O 2.99Å; R415-S441 PolarHBondContact NH1-OG 2.87Å; R415-S441 PolarHBondContact NH2-OG 3.36Å; R415-E443 IonicContact CZ-OE1 2.77Å; R415-E443 VanDerWaalsContact CZ-OE1 3.31Å; R415-E443 IonicContact NE-OE1 3.29Å; R415-E443 PolarHBondContact NE-OE1 3.24Å; R415-E443 IonicContact NH2-OE1 3.56Å; R415-E443 PolarHBondContact NH2-OE1 2.88Å
416	A	97.2	Very high	97.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-123.7	159.6	163.3	0	0	0	0	0	110	E381 F418 G432 R433	E381-A416 HydrophobicContact CB-CB 4.07Å; A416-F418 VanDerWaalsContact C-N 3.26Å; A416-F418 PolarHBondContact O-N 3.21Å; A416-G432 WeakPolarHBondContact O-CA 3.24Å; A416-R433 PolarHBondContact N-O 2.91Å; A416-R433 PolarHBondContact O-N 2.91Å
417	S	96.9	Very high	97.5	Very high	18 Å²	18	45.1 Å²	45.1	13%	0.126	22%	0.217	C	C	.	.	S	Bend	trans	55.1	41.1	177.6	-44.6	0	0	0	0	112.9	H365 R433 A464	H365-S417 PolarHBondContact O-N 3.35Å; S417-R433 PolarHBondContact OG-NE 2.79Å; S417-A464 PolarHBondContact O-N 2.95Å
418	F	98.3	Very high	97.6	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.048	19%	0.186	C	C	.	.			trans	-108.8	179.6	-179.7	65.9	-82.8	0	0	0	110.7	C367 L378 M411 R415 A416 A420 V429	C367-F418 HydrophobicContact CB-CE2 4.09Å; C367-F418 HydrophobicContact CB-CZ 4.3Å; C367-F418 PolarHBondContact SG-O 2.77Å; L378-F418 HydrophobicContact CB-CE2 4.28Å; L378-F418 HydrophobicContact CB-CZ 3.94Å; L378-F418 WeakPolarHBondContact O-CZ 3.17Å; M411-F418 HydrophobicContact CE-CZ 4.08Å; M411-F418 HydrophobicContact SD-CE2 4.44Å; M411-F418 HydrophobicContact SD-CZ 4.28Å; R415-F418 HydrophobicContact CB-CB 4.4Å; R415-F418 HydrophobicContact CB-CD1 3.67Å; R415-F418 HydrophobicContact CB-CE1 4Å; R415-F418 HydrophobicContact CB-CG 4.06Å; R415-F418 WeakPolarHBondContact O-CD1 3.22Å; R415-F418 WeakPolarHBondContact O-CE1 3.39Å; A416-F418 VanDerWaalsContact C-N 3.26Å; A416-F418 PolarHBondContact O-N 3.21Å; F418-A420 HydrophobicContact CD2-CB 4.37Å; F418-A420 HydrophobicContact CE2-CB 3.95Å; F418-V429 HydrophobicContact CD2-CG1 3.74Å; F418-V429 HydrophobicContact CE2-CB 4.47Å; F418-V429 HydrophobicContact CE2-CG1 3.7Å; F418-V429 HydrophobicContact CE2-CG2 4.19Å
419	Y	98.7	Very high	97.6	Very high	38 Å²	38	38.2 Å²	38.2	15%	0.149	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.4	169.1	179.9	-108	0	0	0	111.8	C421 I430 H465 G467 A468 I474 I476	Y419-C421 HydrophobicContact CE1-CB 3.69Å; Y419-C421 WeakPolarHBondContact OH-CB 3.43Å; Y419-I430 HydrophobicContact CD1-CD1 4.19Å; Y419-I430 PolarHBondContact N-O 3.05Å; Y419-I430 PolarHBondContact O-N 3.45Å; Y419-H465 WeakPolarHBondContact CB-NE2 3.29Å; Y419-H465 PolarHBondContact N-NE2 3.17Å; Y419-G467 WeakPolarHBondContact CE2-O 3.23Å; Y419-G467 VanDerWaalsContact OH-C 3.3Å; Y419-G467 PolarHBondContact OH-O 3.29Å; Y419-A468 VanDerWaalsContact OH-CA 3.23Å; Y419-A468 WeakPolarHBondContact OH-CA 2.93Å; Y419-A468 PolarHBondContact OH-N 2.94Å; Y419-I474 HydrophobicContact CD1-CG2 4.41Å; Y419-I474 HydrophobicContact CE1-CG2 3.91Å; Y419-I476 HydrophobicContact CD1-CD1 3.5Å; Y419-I476 VanDerWaalsContact CD1-CD1 3.5Å; Y419-I476 HydrophobicContact CE1-CD1 4.32Å; Y419-I476 HydrophobicContact CG-CD1 3.96Å
420	A	98.6	Very high	97.7	Very high	8 Å²	8	36.3 Å²	36.3	7%	0.066	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152	168.8	0	0	0	0	0	113	C367 V369 L378 F418 Y428 V429	C367-A420 HydrophobicContact CB-CB 3.61Å; C367-A420 PolarHBondContact SG-N 3.33Å; C367-A420 VanDerWaalsContact SG-N 3.4Å; V369-A420 HydrophobicContact CG2-CB 4.04Å; L378-A420 HydrophobicContact CD1-CB 3.54Å; F418-A420 HydrophobicContact CD2-CB 4.37Å; F418-A420 HydrophobicContact CE2-CB 3.95Å; A420-Y428 CarbonylContact C-O 3.5Å; A420-Y428 WeakPolarHBondContact CA-O 3.42Å; A420-Y428 WeakPolarHBondContact CB-O 3.17Å; A420-V429 HydrophobicContact CB-CG2 3.99Å
421	C	98.5	Very high	97.7	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.047	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	164	179.5	61.9	0	0	0	0	112.7	Y419 L427 Y428 V469	Y419-C421 HydrophobicContact CE1-CB 3.69Å; Y419-C421 WeakPolarHBondContact OH-CB 3.43Å; C421-L427 CarbonylContact O-C 3.5Å; C421-L427 VanDerWaalsContact O-CA 3.29Å; C421-L427 WeakPolarHBondContact O-CA 3.35Å; C421-Y428 PolarHBondContact N-O 3.37Å; C421-Y428 PolarHBondContact O-N 2.61Å; C421-V469 HydrophobicContact CB-CG2 3.52Å; C421-V469 VanDerWaalsContact SG-CG2 3.51Å
422	R	97.9	Very high	97.6	Very high	79 Å²	79	33.3 Å²	33.3	30%	0.298	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.6	166.3	178.5	-169.6	176.6	-176.7	-0.7	108.7	V369 V371 E372 D424 H426 L427	V369-R422 HydrophobicContact CG1-CB 3.64Å; V371-R422 HydrophobicContact CG2-CG 4.49Å; E372-R422 IonicContact OE1-CZ 2.98Å; E372-R422 VanDerWaalsContact OE1-CZ 3.28Å; E372-R422 IonicContact OE1-NH1 2.6Å; E372-R422 PolarHBondContact OE1-NH1 3.26Å; E372-R422 IonicContact OE1-NH2 2.81Å; E372-R422 PolarHBondContact OE1-NH2 3.17Å; R422-D424 PolarHBondContact NE-O 3.12Å; R422-H426 WeakPolarHBondContact CA-O 3.45Å; R422-L427 HydrophobicContact CB-CD2 3.91Å; R422-L427 HydrophobicContact CG-CD2 4.35Å
423	L	97.4	Very high	97.6	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	120.8	164.3	-179.4	48.8	0	0	0	108.8	K425 H426 Y428 V469 I474 P494	L423-K425 PolarHBondContact O-N 2.95Å; L423-K425 VanDerWaalsContact O-N 3.17Å; L423-H426 PolarHBondContact N-O 2.85Å; L423-H426 PolarHBondContact O-N 3.43Å; L423-Y428 HydrophobicContact CB-CD2 4.1Å; L423-Y428 HydrophobicContact CB-CE2 3.92Å; L423-V469 HydrophobicContact CD1-CG1 3.98Å; L423-V469 HydrophobicContact CD2-CG1 4.37Å; L423-I474 HydrophobicContact CD2-CD1 4.24Å; L423-I474 HydrophobicContact CD2-CG1 3.8Å; L423-P494 HydrophobicContact CD2-CB 4.41Å; L423-P494 HydrophobicContact CD2-CG 3.77Å
424	D	93.3	Very high	97.6	Very high	123 Å²	123	29 Å²	29	66%	0.658	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	-112.6	-169.7	-57	-40.1	0	0	0	113.1	R422	R422-D424 PolarHBondContact NE-O 3.12Å
425	K	94.3	Very high	97.5	Very high	106 Å²	106	29.8 Å²	29.8	46%	0.461	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	14.3	-179.3	-63.2	-177.4	168.6	-161.5	0	113.3	L423 L447 E448	L423-K425 PolarHBondContact O-N 2.95Å; L423-K425 VanDerWaalsContact O-N 3.17Å; K425-L447 WeakPolarHBondContact O-CB 3.42Å; K425-L447 WeakPolarHBondContact O-CG 3.33Å; K425-L447 PolarHBondContact O-N 3.46Å; K425-E448 HydrophobicContact CD-CG 4.42Å; K425-E448 WeakPolarHBondContact CD-OE2 3.42Å; K425-E448 VanDerWaalsContact CE-OE1 3.24Å; K425-E448 WeakPolarHBondContact CE-OE1 3.49Å; K425-E448 IonicContact NZ-OE1 2.66Å; K425-E448 PolarHBondContact NZ-OE1 2.98Å; K425-E448 IonicContact NZ-OE2 3.44Å; K425-E448 PolarHBondContact NZ-OE2 3.16Å
426	H	97.8	Very high	97.3	Very high	36 Å²	36	35.2 Å²	35.2	17%	0.167	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149	-175.8	-60.2	97.9	0	0	0	112	R422 L423 Y428 C444 Y445 N446	R422-H426 WeakPolarHBondContact CA-O 3.45Å; L423-H426 PolarHBondContact N-O 2.85Å; L423-H426 PolarHBondContact O-N 3.43Å; H426-Y428 HydrophobicContact CB-CD2 4.25Å; H426-Y428 HydrophobicContact CB-CE2 3.63Å; H426-C444 PolarHBondContact CD2-SG 3.46Å; H426-Y445 CarbonylContact C-O 3.59Å; H426-Y445 VanDerWaalsContact CA-O 3.22Å; H426-Y445 WeakPolarHBondContact CA-O 3.44Å; H426-N446 PolarHBondContact NE2-ND2 2.89Å
427	L	98.6	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.5	157.9	-52.6	179.8	0	0	0	108.5	V369 V371 F376 C421 R422 C444 Y445 L447	V369-L427 HydrophobicContact CB-CD2 4.36Å; V369-L427 HydrophobicContact CG1-CD2 3.82Å; V371-L427 HydrophobicContact CG2-CD2 3.79Å; F376-L427 HydrophobicContact CB-CD1 4.07Å; F376-L427 HydrophobicContact CD1-CD1 3.57Å; F376-L427 HydrophobicContact CE1-CD1 4.14Å; F376-L427 HydrophobicContact CG-CD1 3.9Å; C421-L427 CarbonylContact O-C 3.5Å; C421-L427 VanDerWaalsContact O-CA 3.29Å; C421-L427 WeakPolarHBondContact O-CA 3.35Å; R422-L427 HydrophobicContact CB-CD2 3.91Å; R422-L427 HydrophobicContact CG-CD2 4.35Å; L427-C444 CarbonylContact O-C 3.6Å; L427-C444 WeakPolarHBondContact O-CA 3.48Å; L427-Y445 HydrophobicContact CB-CD1 4.46Å; L427-Y445 HydrophobicContact CD1-CD1 3.96Å; L427-Y445 HydrophobicContact CG-CD1 4.14Å; L427-Y445 PolarHBondContact N-O 3.05Å; L427-Y445 PolarHBondContact O-N 3.47Å; L427-L447 HydrophobicContact CD1-CD2 4.13Å; L427-L447 HydrophobicContact CD2-CD2 4.22Å; L427-L447 HydrophobicContact CG-CD2 3.84Å; L427-L447 HydrophobicContact CG-CG 4.41Å
428	Y	98.8	Very high	97.2	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.9	172.2	-68.1	-93.8	0	0	0	109.1	A420 C421 L423 H426 E443 C444 V455 I474 Y492	A420-Y428 CarbonylContact C-O 3.5Å; A420-Y428 WeakPolarHBondContact CA-O 3.42Å; A420-Y428 WeakPolarHBondContact CB-O 3.17Å; C421-Y428 PolarHBondContact N-O 3.37Å; C421-Y428 PolarHBondContact O-N 2.61Å; L423-Y428 HydrophobicContact CB-CD2 4.1Å; L423-Y428 HydrophobicContact CB-CE2 3.92Å; H426-Y428 HydrophobicContact CB-CD2 4.25Å; H426-Y428 HydrophobicContact CB-CE2 3.63Å; Y428-E443 CarbonylContact C-O 3.59Å; Y428-E443 WeakPolarHBondContact CA-O 3.41Å; Y428-C444 HydrophobicContact CD1-CB 4.16Å; Y428-C444 HydrophobicContact CE1-CB 4Å; Y428-C444 VanDerWaalsContact CE1-SG 3.59Å; Y428-V455 HydrophobicContact CD1-CG2 4.41Å; Y428-V455 HydrophobicContact CE1-CG2 4.39Å; Y428-I474 HydrophobicContact CD1-CD1 4.06Å; Y428-I474 HydrophobicContact CD2-CD1 3.67Å; Y428-I474 HydrophobicContact CE2-CD1 4.3Å; Y428-I474 HydrophobicContact CG-CD1 3.52Å; Y428-Y492 HydrophobicContact CD1-CE1 4.12Å; Y428-Y492 AromaticContact CE1-CE1 3.76Å; Y428-Y492 HydrophobicContact CE1-CE1 3.76Å
429	V	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.5	178.3	166.7	0	0	0	0	107.6	L378 M411 R415 F418 A420 V442 E443 W452	L378-V429 HydrophobicContact CD1-CG2 4.17Å; M411-V429 HydrophobicContact SD-CB 4.34Å; M411-V429 HydrophobicContact SD-CG1 3.73Å; M411-V429 HydrophobicContact SD-CG2 3.86Å; R415-V429 VanDerWaalsContact CD-CG1 3.45Å; F418-V429 HydrophobicContact CD2-CG1 3.74Å; F418-V429 HydrophobicContact CE2-CB 4.47Å; F418-V429 HydrophobicContact CE2-CG1 3.7Å; F418-V429 HydrophobicContact CE2-CG2 4.19Å; A420-V429 HydrophobicContact CB-CG2 3.99Å; V429-V442 CarbonylContact O-C 3.5Å; V429-V442 WeakPolarHBondContact O-CA 3.34Å; V429-E443 HydrophobicContact CB-CB 4.36Å; V429-E443 PolarHBondContact N-O 3.19Å; V429-E443 PolarHBondContact O-N 3.37Å; V429-W452 HydrophobicContact CB-CZ3 4.21Å; V429-W452 HydrophobicContact CG2-CH2 3.67Å; V429-W452 HydrophobicContact CG2-CZ3 3.82Å
430	I	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.9	-162.8	-68.6	155.9	0	0	0	110.6	Y419 V442 L458 H465 I474 I476 W499	Y419-I430 HydrophobicContact CD1-CD1 4.19Å; Y419-I430 PolarHBondContact N-O 3.05Å; Y419-I430 PolarHBondContact O-N 3.45Å; I430-V442 HydrophobicContact CB-CG2 4.49Å; I430-V442 HydrophobicContact CG1-CB 4.48Å; I430-V442 HydrophobicContact CG1-CG1 3.62Å; I430-V442 HydrophobicContact CG1-CG2 4.12Å; I430-V442 HydrophobicContact CG2-CG2 4.29Å; I430-L458 HydrophobicContact CG2-CD1 3.72Å; I430-L458 HydrophobicContact CG2-CD2 4.01Å; I430-L458 HydrophobicContact CG2-CG 3.9Å; I430-H465 PolarHBondContact O-CE1 2.59Å; I430-H465 VanDerWaalsContact O-CE1 3.27Å; I430-H465 PolarHBondContact O-NE2 3.34Å; I430-I474 HydrophobicContact CD1-CD1 4.26Å; I430-I474 HydrophobicContact CD1-CG2 3.76Å; I430-I476 HydrophobicContact CB-CD1 4.31Å; I430-I476 HydrophobicContact CD1-CD1 4.05Å; I430-I476 HydrophobicContact CG2-CD1 3.81Å; I430-I476 HydrophobicContact CG2-CG1 3.96Å; I430-W499 HydrophobicContact CD1-CH2 4.17Å; I430-W499 HydrophobicContact CD1-CZ2 4.48Å; I430-W499 HydrophobicContact CG1-CH2 4.48Å; I430-W499 HydrophobicContact CG1-CZ2 4.43Å; I430-W499 HydrophobicContact CG2-CH2 4.08Å; I430-W499 HydrophobicContact CG2-CZ2 4.28Å
431	G	98.4	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.			trans	62.3	-134	171.1	0	0	0	0	0	114.2	R415 L439 S441	R415-G431 WeakPolarHBondContact CD-O 3.44Å; R415-G431 PolarHBondContact NH1-O 2.89Å; R415-G431 VanDerWaalsContact NH1-O 3.08Å; G431-L439 VanDerWaalsContact CA-O 3.29Å; G431-L439 WeakPolarHBondContact CA-O 3.3Å; G431-S441 PolarHBondContact N-O 3.08Å
432	G	97.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.			trans	97.9	-162.8	-177.1	0	0	0	0	0	113.6	A416 L439 L462	A416-G432 WeakPolarHBondContact O-CA 3.24Å; G432-L439 PolarHBondContact O-N 3.37Å; G432-L462 PolarHBondContact N-O 3.03Å
433	R	96.4	Very high	97.3	Very high	30 Å²	30	35.9 Å²	35.9	11%	0.113	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.3	173.3	65.8	-173.7	179.3	92.2	15	111.8	E381 N385 P386 S391 A416 S417 G437 Y438 A463	E381-R433 VanDerWaalsContact CD-NH2 3.31Å; E381-R433 IonicContact OE1-NH2 2.69Å; E381-R433 PolarHBondContact OE1-NH2 2.79Å; E381-R433 IonicContact OE2-CZ 3.4Å; E381-R433 IonicContact OE2-NH1 2.73Å; E381-R433 IonicContact OE2-NH2 3.71Å; E381-R433 PolarHBondContact OE2-NH2 2.89Å; N385-R433 PolarHBondContact O-NH1 3.17Å; P386-R433 PolarHBondContact O-NH1 3.4Å; S391-R433 PolarHBondContact OG-O 2.84Å; A416-R433 PolarHBondContact N-O 2.91Å; A416-R433 PolarHBondContact O-N 2.91Å; S417-R433 PolarHBondContact OG-NE 2.79Å; R433-G437 VanDerWaalsContact CA-O 3.22Å; R433-G437 WeakPolarHBondContact CA-O 3.42Å; R433-Y438 HydrophobicContact CB-CD1 4.39Å; R433-A463 HydrophobicContact CB-CB 3.92Å; R433-A463 HydrophobicContact CG-CB 4.31Å
434	N	97	Very high	97.3	Very high	14 Å²	14	35.3 Å²	35.3	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-164.4	165	65.3	28.1	0	0	0	109.9	N387 G388 R414 T436 G437 L439	N387-N434 CarbonylContact O-C 3.58Å; N387-N434 VanDerWaalsContact O-O 3.1Å; G388-N434 CarbonylContact O-C 3.58Å; R414-N434 HydrophobicContact CB-CB 4.3Å; R414-N434 VanDerWaalsContact O-CB 3.23Å; R414-N434 WeakPolarHBondContact O-CB 3.48Å; R414-N434 PolarHBondContact O-ND2 2.91Å; N434-T436 PolarHBondContact O-N 3.49Å; N434-T436 VanDerWaalsContact O-N 3.15Å; N434-T436 PolarHBondContact OD1-N 2.79Å; N434-T436 PolarHBondContact OD1-OG1 3.38Å; N434-G437 PolarHBondContact N-O 3.44Å; N434-G437 PolarHBondContact O-N 2.88Å; N434-L439 HydrophobicContact CB-CD1 4.46Å; N434-L439 WeakPolarHBondContact ND2-CD1 3.27Å
435	E	95.8	Very high	97.6	Very high	134 Å²	134	29.5 Å²	29.5	63%	0.626	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.6	-179.5	72.1	-174.9	166.1	0	0	115.4	N387 G388	N387-E435 WeakPolarHBondContact O-CA 3.29Å; G388-E435 PolarHBondContact O-N 2.98Å
436	T	94.8	Very high	97.7	Very high	114 Å²	114	26.1 Å²	26.1	70%	0.699	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.6	176.7	71.7	0	0	0	0	113.1	N434	N434-T436 PolarHBondContact O-N 3.49Å; N434-T436 VanDerWaalsContact O-N 3.15Å; N434-T436 PolarHBondContact OD1-N 2.79Å; N434-T436 PolarHBondContact OD1-OG1 3.38Å
437	G	95.4	Very high	97.6	Very high	30 Å²	30	24.6 Å²	24.6	31%	0.309	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	113.6	-147.5	179.9	0	0	0	0	0	113.6	R433 N434	R433-G437 VanDerWaalsContact CA-O 3.22Å; R433-G437 WeakPolarHBondContact CA-O 3.42Å; N434-G437 PolarHBondContact N-O 3.44Å; N434-G437 PolarHBondContact O-N 2.88Å
438	Y	96.9	Very high	97.5	Very high	83 Å²	83	28 Å²	28	33%	0.325	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.1	178.5	-54.2	-62.5	0	0	0	111.5	R433 A463 V480 G483	R433-Y438 HydrophobicContact CB-CD1 4.39Å; Y438-A463 HydrophobicContact CD1-CB 3.62Å; Y438-A463 HydrophobicContact CE1-CB 4.04Å; Y438-V480 HydrophobicContact CE1-CG1 4.3Å; Y438-V480 WeakPolarHBondContact OH-CG1 3.36Å; Y438-G483 PolarHBondContact OH-N 3.2Å
439	L	97.9	Very high	97.3	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	17%	0.166	C	C	.	.			trans	-112.2	139.4	-173.2	-51.7	172.8	0	0	0	110.6	R415 G431 G432 N434 P461 L462	R415-L439 HydrophobicContact CG-CD1 3.81Å; G431-L439 VanDerWaalsContact CA-O 3.29Å; G431-L439 WeakPolarHBondContact CA-O 3.3Å; G432-L439 PolarHBondContact O-N 3.37Å; N434-L439 HydrophobicContact CB-CD1 4.46Å; N434-L439 WeakPolarHBondContact ND2-CD1 3.27Å; L439-P461 WeakPolarHBondContact O-CA 3.41Å; L439-L462 PolarHBondContact O-N 3.35Å
440	S	98.3	Very high	97.2	Very high	38 Å²	38	32.3 Å²	32.3	27%	0.266	18%	0.176	S	C	.	.			trans	-104.6	-16.2	168.8	54.1	0	0	0	0	112.7	S457 L458	S440-S457 CarbonylContact O-C 3.58Å; S440-S457 WeakPolarHBondContact O-CA 3.46Å; S440-S457 WeakPolarHBondContact O-CB 3.32Å; S440-L458 PolarHBondContact O-N 2.85Å
441	S	98.6	Very high	97.1	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.098	20%	0.203	C	C	.	.			trans	-58.6	142.9	-178.3	37.6	0	0	0	0	112.3	E413 R415 G431	E413-S441 WeakPolarHBondContact OE1-CB 3.38Å; E413-S441 PolarHBondContact OE1-OG 3Å; E413-S441 PolarHBondContact OE2-OG 2.89Å; R415-S441 PolarHBondContact NH1-O 2.99Å; R415-S441 PolarHBondContact NH1-OG 2.87Å; R415-S441 PolarHBondContact NH2-OG 3.36Å; G431-S441 PolarHBondContact N-O 3.08Å
442	V	98.8	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.7	177.6	-177.6	0	0	0	0	108.4	V429 I430 Y454 V455 S456 L458 W499	V429-V442 CarbonylContact O-C 3.5Å; V429-V442 WeakPolarHBondContact O-CA 3.34Å; I430-V442 HydrophobicContact CB-CG2 4.49Å; I430-V442 HydrophobicContact CG1-CB 4.48Å; I430-V442 HydrophobicContact CG1-CG1 3.62Å; I430-V442 HydrophobicContact CG1-CG2 4.12Å; I430-V442 HydrophobicContact CG2-CG2 4.29Å; V442-Y454 WeakPolarHBondContact O-CA 3.42Å; V442-V455 HydrophobicContact CB-CG2 3.84Å; V442-V455 HydrophobicContact CG1-CG2 3.42Å; V442-V455 VanDerWaalsContact CG1-CG2 3.42Å; V442-V455 PolarHBondContact O-N 2.65Å; V442-V455 VanDerWaalsContact O-N 3.07Å; V442-S456 WeakPolarHBondContact CG2-O 3.31Å; V442-L458 HydrophobicContact CG2-CG 4.36Å; V442-W499 HydrophobicContact CG2-CZ2 3.92Å
443	E	98.6	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.3	-179.7	-63.1	-174.6	-115.5	0	0	110.4	Q412 E413 R415 Y428 V429 W452 R453 Y454	Q412-E443 VanDerWaalsContact CB-OE2 3.22Å; Q412-E443 WeakPolarHBondContact CB-OE2 3.44Å; Q412-E443 WeakPolarHBondContact CG-OE2 3.37Å; Q412-E443 PolarHBondContact N-OE2 3.26Å; Q412-E443 PolarHBondContact NE2-OE2 3Å; E413-E443 PolarHBondContact N-OE1 2.94Å; R415-E443 IonicContact CZ-OE1 2.77Å; R415-E443 VanDerWaalsContact CZ-OE1 3.31Å; R415-E443 IonicContact NE-OE1 3.29Å; R415-E443 PolarHBondContact NE-OE1 3.24Å; R415-E443 IonicContact NH2-OE1 3.56Å; R415-E443 PolarHBondContact NH2-OE1 2.88Å; Y428-E443 CarbonylContact C-O 3.59Å; Y428-E443 WeakPolarHBondContact CA-O 3.41Å; V429-E443 HydrophobicContact CB-CB 4.36Å; V429-E443 PolarHBondContact N-O 3.19Å; V429-E443 PolarHBondContact O-N 3.37Å; E443-W452 HydrophobicContact CB-CE3 3.73Å; E443-W452 HydrophobicContact CB-CZ3 3.87Å; E443-R453 WeakPolarHBondContact CA-O 3.37Å; E443-Y454 HydrophobicContact CG-CD1 3.82Å; E443-Y454 HydrophobicContact CG-CE1 3.64Å
444	C	98.4	Very high	97.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.9	-179.3	-175.4	0	0	0	0	108.8	H426 L427 Y428 R453 V455	H426-C444 PolarHBondContact CD2-SG 3.46Å; L427-C444 CarbonylContact O-C 3.6Å; L427-C444 WeakPolarHBondContact O-CA 3.48Å; Y428-C444 HydrophobicContact CD1-CB 4.16Å; Y428-C444 HydrophobicContact CE1-CB 4Å; Y428-C444 VanDerWaalsContact CE1-SG 3.59Å; C444-R453 HydrophobicContact CB-CG 4.08Å; C444-R453 PolarHBondContact N-O 3.29Å; C444-R453 PolarHBondContact O-N 2.9Å; C444-V455 HydrophobicContact CB-CG1 3.66Å; C444-V455 HydrophobicContact CB-CG2 4.37Å
445	Y	98.6	Very high	97.4	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.4	175.7	176.1	-108.5	0	0	0	110.3	F376 H426 L427 L447 N450 E451 W452	F376-Y445 HydrophobicContact CE1-CE1 4.17Å; H426-Y445 CarbonylContact C-O 3.59Å; H426-Y445 VanDerWaalsContact CA-O 3.22Å; H426-Y445 WeakPolarHBondContact CA-O 3.44Å; L427-Y445 HydrophobicContact CB-CD1 4.46Å; L427-Y445 HydrophobicContact CD1-CD1 3.96Å; L427-Y445 HydrophobicContact CG-CD1 4.14Å; L427-Y445 PolarHBondContact N-O 3.05Å; L427-Y445 PolarHBondContact O-N 3.47Å; Y445-L447 HydrophobicContact CD1-CD2 4.01Å; Y445-L447 HydrophobicContact CE1-CD2 3.92Å; Y445-N450 PolarHBondContact OH-OD1 3.2Å; Y445-E451 WeakPolarHBondContact CA-O 3.39Å; Y445-E451 WeakPolarHBondContact CD2-O 3.42Å; Y445-W452 AromaticContact CD2-CD1 3.81Å; Y445-W452 AromaticContact CD2-CD2 3.89Å; Y445-W452 HydrophobicContact CD2-CD2 3.89Å; Y445-W452 AromaticContact CD2-CE2 3.56Å; Y445-W452 HydrophobicContact CD2-CG 4.02Å; Y445-W452 HydrophobicContact CD2-CZ2 4.03Å; Y445-W452 AromaticContact CD2-NE1 3.52Å; Y445-W452 HydrophobicContact CG-CD2 4.24Å; Y445-W452 AromaticContact CG-CE2 3.94Å; Y445-W452 HydrophobicContact CG-CH2 4.35Å; Y445-W452 AromaticContact CG-CZ2 3.98Å; Y445-W452 HydrophobicContact CG-CZ2 3.98Å
446	N	97.6	Very high	97.5	Very high	35 Å²	35	44.7 Å²	44.7	19%	0.187	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.8	174.6	-173.4	-57.2	0	0	0	110.1	H426 E448 T449 N450 E451	H426-N446 PolarHBondContact NE2-ND2 2.89Å; N446-E448 PolarHBondContact O-N 3.5Å; N446-E448 WeakPolarHBondContact OD1-CA 3.43Å; N446-E448 WeakPolarHBondContact OD1-CB 3.31Å; N446-E448 PolarHBondContact OD1-N 3.39Å; N446-T449 WeakPolarHBondContact CB-OG1 3.5Å; N446-T449 PolarHBondContact OD1-N 3.29Å; N446-N450 WeakPolarHBondContact O-CA 3.24Å; N446-N450 PolarHBondContact O-N 3.2Å; N446-E451 PolarHBondContact N-O 3.36Å
447	L	96.4	Very high	97.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.8	-178.1	-74.1	177.3	0	0	0	113.3	H309 V371 F376 K425 L427 Y445	H309-L447 PolarHBondContact CE1-O 3Å; H309-L447 VanDerWaalsContact NE2-CB 3.35Å; H309-L447 WeakPolarHBondContact NE2-CB 3.5Å; H309-L447 PolarHBondContact NE2-O 3.22Å; V371-L447 HydrophobicContact CG1-CD1 3.73Å; V371-L447 HydrophobicContact CG1-CD2 4.34Å; F376-L447 HydrophobicContact CE1-CD2 4.04Å; F376-L447 HydrophobicContact CZ-CD2 3.92Å; K425-L447 WeakPolarHBondContact O-CB 3.42Å; K425-L447 WeakPolarHBondContact O-CG 3.33Å; K425-L447 PolarHBondContact O-N 3.46Å; L427-L447 HydrophobicContact CD1-CD2 4.13Å; L427-L447 HydrophobicContact CD2-CD2 4.22Å; L427-L447 HydrophobicContact CG-CD2 3.84Å; L427-L447 HydrophobicContact CG-CG 4.41Å; Y445-L447 HydrophobicContact CD1-CD2 4.01Å; Y445-L447 HydrophobicContact CE1-CD2 3.92Å
448	E	94.6	Very high	97.8	Very high	71 Å²	71	40.7 Å²	40.7	33%	0.332	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-43.1	-179.5	-63.4	-175.4	146.1	0	0	112.6	R307 K425 N446	R307-E448 PolarHBondContact NE-O 3.29Å; R307-E448 PolarHBondContact NH2-O 2.82Å; K425-E448 HydrophobicContact CD-CG 4.42Å; K425-E448 WeakPolarHBondContact CD-OE2 3.42Å; K425-E448 VanDerWaalsContact CE-OE1 3.24Å; K425-E448 WeakPolarHBondContact CE-OE1 3.49Å; K425-E448 IonicContact NZ-OE1 2.66Å; K425-E448 PolarHBondContact NZ-OE1 2.98Å; K425-E448 IonicContact NZ-OE2 3.44Å; K425-E448 PolarHBondContact NZ-OE2 3.16Å; N446-E448 PolarHBondContact O-N 3.5Å; N446-E448 WeakPolarHBondContact OD1-CA 3.43Å; N446-E448 WeakPolarHBondContact OD1-CB 3.31Å; N446-E448 PolarHBondContact OD1-N 3.39Å
449	T	95.8	Very high	97.8	Very high	62 Å²	62	39.7 Å²	39.7	38%	0.38	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.2	-178.5	74.5	0	0	0	0	113.8	N446 E451	N446-T449 WeakPolarHBondContact CB-OG1 3.5Å; N446-T449 PolarHBondContact OD1-N 3.29Å; T449-E451 WeakPolarHBondContact CB-OE2 3.34Å; T449-E451 PolarHBondContact OG1-OE2 3.26Å
450	N	96.2	Very high	97.8	Very high	38 Å²	38	43 Å²	43	20%	0.203	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	42.4	-178.8	178.3	83.4	0	0	0	111.9	F306 P409 Y445 N446	F306-N450 HydrophobicContact CD2-CB 3.52Å; F306-N450 HydrophobicContact CE2-CB 3.39Å; F306-N450 HydrophobicContact CG-CB 4.44Å; F306-N450 HydrophobicContact CZ-CB 4.26Å; P409-N450 WeakPolarHBondContact CD-OD1 3.15Å; P409-N450 VanDerWaalsContact CG-ND2 3.27Å; P409-N450 WeakPolarHBondContact CG-ND2 3.48Å; Y445-N450 PolarHBondContact OH-OD1 3.2Å; N446-N450 WeakPolarHBondContact O-CA 3.24Å; N446-N450 PolarHBondContact O-N 3.2Å
451	E	97.4	Very high	97.8	Very high	121 Å²	121	43 Å²	43	57%	0.565	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.4	-176.2	-65.4	167.8	138.9	0	0	111.5	Y445 N446 T449	Y445-E451 WeakPolarHBondContact CA-O 3.39Å; Y445-E451 WeakPolarHBondContact CD2-O 3.42Å; N446-E451 PolarHBondContact N-O 3.36Å; T449-E451 WeakPolarHBondContact CB-OE2 3.34Å; T449-E451 PolarHBondContact OG1-OE2 3.26Å
452	W	98.6	Very high	97.8	Very high	34 Å²	34	42.5 Å²	42.5	13%	0.129	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.1	172.8	-71.4	97.1	0	0	0	110.8	L378 V395 P409 P410 M411 Q412 V429 E443 Y445	L378-W452 HydrophobicContact CD2-CH2 4.35Å; L378-W452 HydrophobicContact CD2-CZ2 4.37Å; V395-W452 HydrophobicContact CG2-CZ2 3.89Å; P409-W452 PolarHBondContact O-NE1 2.97Å; P410-W452 PolarHBondContact O-NE1 3.48Å; M411-W452 HydrophobicContact CG-CH2 3.78Å; M411-W452 HydrophobicContact CG-CZ2 3.66Å; M411-W452 HydrophobicContact CG-CZ3 4.36Å; M411-W452 HydrophobicContact SD-CH2 4.35Å; Q412-W452 HydrophobicContact CG-CB 4.3Å; V429-W452 HydrophobicContact CB-CZ3 4.21Å; V429-W452 HydrophobicContact CG2-CH2 3.67Å; V429-W452 HydrophobicContact CG2-CZ3 3.82Å; E443-W452 HydrophobicContact CB-CE3 3.73Å; E443-W452 HydrophobicContact CB-CZ3 3.87Å; Y445-W452 AromaticContact CD2-CD1 3.81Å; Y445-W452 AromaticContact CD2-CD2 3.89Å; Y445-W452 HydrophobicContact CD2-CD2 3.89Å; Y445-W452 AromaticContact CD2-CE2 3.56Å; Y445-W452 HydrophobicContact CD2-CG 4.02Å; Y445-W452 HydrophobicContact CD2-CZ2 4.03Å; Y445-W452 AromaticContact CD2-NE1 3.52Å; Y445-W452 HydrophobicContact CG-CD2 4.24Å; Y445-W452 AromaticContact CG-CE2 3.94Å; Y445-W452 HydrophobicContact CG-CH2 4.35Å; Y445-W452 AromaticContact CG-CZ2 3.98Å; Y445-W452 HydrophobicContact CG-CZ2 3.98Å
453	R	98.4	Very high	97.7	Very high	124 Å²	124	42.6 Å²	42.6	47%	0.468	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.2	167.9	66.5	-177.2	-178.6	106.2	-2.1	110.5	E443 C444	E443-R453 WeakPolarHBondContact CA-O 3.37Å; C444-R453 HydrophobicContact CB-CG 4.08Å; C444-R453 PolarHBondContact N-O 3.29Å; C444-R453 PolarHBondContact O-N 2.9Å
454	Y	98.8	Very high	97.6	Very high	103 Å²	103	43.4 Å²	43.4	40%	0.404	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	152.5	166.3	-67.6	-77.5	0	0	0	111.2	Q412 E413 V442 E443	Q412-Y454 HydrophobicContact CB-CE2 4.37Å; Q412-Y454 WeakPolarHBondContact CB-OH 3.27Å; Q412-Y454 VanDerWaalsContact CD-CE2 3.43Å; Q412-Y454 VanDerWaalsContact NE2-CE2 3.29Å; E413-Y454 PolarHBondContact OE1-OH 3.45Å; V442-Y454 WeakPolarHBondContact O-CA 3.42Å; E443-Y454 HydrophobicContact CG-CD1 3.82Å; E443-Y454 HydrophobicContact CG-CE1 3.64Å
455	V	98.6	Very high	97.6	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-175	168.3	-63.4	0	0	0	0	108.5	Y428 V442 C444 S457	Y428-V455 HydrophobicContact CD1-CG2 4.41Å; Y428-V455 HydrophobicContact CE1-CG2 4.39Å; V442-V455 HydrophobicContact CB-CG2 3.84Å; V442-V455 HydrophobicContact CG1-CG2 3.42Å; V442-V455 VanDerWaalsContact CG1-CG2 3.42Å; V442-V455 PolarHBondContact O-N 2.65Å; V442-V455 VanDerWaalsContact O-N 3.07Å; C444-V455 HydrophobicContact CB-CG1 3.66Å; C444-V455 HydrophobicContact CB-CG2 4.37Å; V455-S457 PolarHBondContact O-N 2.93Å
456	S	98.6	Very high	97.6	Very high	43 Å²	43	44.1 Å²	44.1	30%	0.301	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-54.7	121.2	-178.1	-170.6	0	0	0	0	112.3	V442 D497 W499	V442-S456 WeakPolarHBondContact CG2-O 3.31Å; S456-D497 WeakPolarHBondContact CA-OD1 3.49Å; S456-D497 WeakPolarHBondContact CB-O 3.32Å; S456-D497 WeakPolarHBondContact CB-OD1 3.19Å; S456-D497 PolarHBondContact N-OD1 3.35Å; S456-D497 PolarHBondContact OG-O 2.81Å; S456-W499 PolarHBondContact O-NE1 2.8Å
457	S	98.6	Very high	97.7	Very high	55 Å²	55	42.7 Å²	42.7	39%	0.385	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-64.6	152.7	177.5	-62.3	0	0	0	0	112.2	S440 V455 W499	S440-S457 CarbonylContact O-C 3.58Å; S440-S457 WeakPolarHBondContact O-CA 3.46Å; S440-S457 WeakPolarHBondContact O-CB 3.32Å; V455-S457 PolarHBondContact O-N 2.93Å; S457-W499 PolarHBondContact O-NE1 3.42Å
458	L	98.3	Very high	97.8	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-52	142.5	167.7	-75.7	168.4	0	0	0	110.9	I430 S440 V442 Q460 L462 I476 W499	I430-L458 HydrophobicContact CG2-CD1 3.72Å; I430-L458 HydrophobicContact CG2-CD2 4.01Å; I430-L458 HydrophobicContact CG2-CG 3.9Å; S440-L458 PolarHBondContact O-N 2.85Å; V442-L458 HydrophobicContact CG2-CG 4.36Å; L458-Q460 WeakPolarHBondContact CB-O 3.08Å; L458-Q460 PolarHBondContact O-N 3.08Å; L458-Q460 VanDerWaalsContact O-N 3.08Å; L458-L462 HydrophobicContact CD1-CB 4.16Å; L458-I476 HydrophobicContact CD2-CG1 4.48Å; L458-W499 HydrophobicContact CD2-CD2 4.14Å; L458-W499 HydrophobicContact CD2-CE3 4.03Å; L458-W499 HydrophobicContact CD2-CH2 3.5Å; L458-W499 HydrophobicContact CD2-CZ2 3.64Å; L458-W499 HydrophobicContact CD2-CZ3 3.7Å; L458-W499 HydrophobicContact CG-CH2 4.44Å; L458-W499 HydrophobicContact CG-CZ2 4.17Å
459	P	97.8	Very high	97.9	Very high	62 Å²	62	41.4 Å²	41.4	40%	0.403	22%	0.219	S	C	.	.	S	Bend	trans	-60.7	-20.3	176.9	-26.4	36.2	0	0	0	114.8	Y490 W499	P459-Y490 HydrophobicContact CB-CE1 3.9Å; P459-Y490 HydrophobicContact CG-CD1 4Å; P459-Y490 HydrophobicContact CG-CE1 3.69Å; P459-W499 HydrophobicContact CG-CB 3.74Å; P459-W499 HydrophobicContact CG-CG 4.32Å
460	Q	97.7	Very high	98	Very high	79 Å²	79	38.9 Å²	38.9	37%	0.369	20%	0.203	S	C	.	.	S	Bend	trans	-144.6	141.9	175.5	-69.9	-59.9	-36.4	0	0	110.1	L458 H481 W488	L458-Q460 WeakPolarHBondContact CB-O 3.08Å; L458-Q460 PolarHBondContact O-N 3.08Å; L458-Q460 VanDerWaalsContact O-N 3.08Å; Q460-H481 PolarHBondContact OE1-CE1 3.02Å; Q460-H481 VanDerWaalsContact OE1-CE1 3.23Å; Q460-W488 HydrophobicContact CB-CH2 4.21Å; Q460-W488 HydrophobicContact CB-CZ3 3.62Å; Q460-W488 HydrophobicContact CG-CH2 4.02Å; Q460-W488 HydrophobicContact CG-CZ3 3.87Å
461	P	97.7	Very high	98	Very high	39 Å²	39	42.5 Å²	42.5	25%	0.253	22%	0.222	S	C	.	.			trans	-62.8	138.1	174.6	-20.4	31.9	0	0	0	112.2	L439 H481	L439-P461 WeakPolarHBondContact O-CA 3.41Å; P461-H481 PolarHBondContact O-ND1 2.96Å
462	L	97.4	Very high	98	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.214	C	C	.	.			trans	-155.5	130.7	-166.2	-167.3	71	0	0	0	112.7	G432 L439 L458 H465 I476 G478 H481 V486	G432-L462 PolarHBondContact N-O 3.03Å; L439-L462 PolarHBondContact O-N 3.35Å; L458-L462 HydrophobicContact CD1-CB 4.16Å; L462-H465 HydrophobicContact CD2-CB 3.65Å; L462-H465 HydrophobicContact CG-CB 3.96Å; L462-H465 PolarHBondContact O-CE1 3.33Å; L462-H465 PolarHBondContact O-ND1 2.92Å; L462-I476 HydrophobicContact CD2-CG2 3.79Å; L462-G478 WeakPolarHBondContact CD1-O 3.39Å; L462-G478 WeakPolarHBondContact CD2-O 3.46Å; L462-H481 HydrophobicContact CD1-CB 4.2Å; L462-V486 HydrophobicContact CD1-CG2 3.8Å
463	A	97.5	Very high	98	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-126.4	167.9	171.5	0	0	0	0	0	112	R433 Y438 H465 G479 V480	R433-A463 HydrophobicContact CB-CB 3.92Å; R433-A463 HydrophobicContact CG-CB 4.31Å; Y438-A463 HydrophobicContact CD1-CB 3.62Å; Y438-A463 HydrophobicContact CE1-CB 4.04Å; A463-H465 PolarHBondContact O-N 3.14Å; A463-G479 CarbonylContact O-C 3.53Å; A463-G479 WeakPolarHBondContact O-CA 3.31Å; A463-V480 PolarHBondContact N-O 2.8Å; A463-V480 VanDerWaalsContact N-O 3.17Å; A463-V480 PolarHBondContact O-N 3.08Å
464	A	97.4	Very high	98	Very high	18 Å²	18	34.5 Å²	34.5	15%	0.149	20%	0.2	C	C	.	.	S	Bend	trans	54.1	25.8	-179.9	0	0	0	0	0	113.8	S417 G479 V480 A510 I511	S417-A464 PolarHBondContact O-N 2.95Å; A464-G479 WeakPolarHBondContact O-CA 3.5Å; A464-V480 HydrophobicContact CB-CG2 4.47Å; A464-A510 HydrophobicContact CB-CB 4.19Å; A464-A510 WeakPolarHBondContact O-CA 3.46Å; A464-I511 HydrophobicContact CB-CG1 3.96Å; A464-I511 PolarHBondContact O-N 3.41Å
465	H	98.4	Very high	98	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.051	18%	0.184	C	C	.	.			trans	-84.6	163.6	172.7	58.5	-101.5	0	0	0	110	Y419 I430 L462 A463 I476 S477 G478	Y419-H465 WeakPolarHBondContact CB-NE2 3.29Å; Y419-H465 PolarHBondContact N-NE2 3.17Å; I430-H465 PolarHBondContact O-CE1 2.59Å; I430-H465 VanDerWaalsContact O-CE1 3.27Å; I430-H465 PolarHBondContact O-NE2 3.34Å; L462-H465 HydrophobicContact CD2-CB 3.65Å; L462-H465 HydrophobicContact CG-CB 3.96Å; L462-H465 PolarHBondContact O-CE1 3.33Å; L462-H465 PolarHBondContact O-ND1 2.92Å; A463-H465 PolarHBondContact O-N 3.14Å; H465-I476 HydrophobicContact CB-CG2 4.01Å; H465-S477 WeakPolarHBondContact CB-O 3.19Å; H465-G478 WeakPolarHBondContact CB-O 3.49Å
466	A	98.4	Very high	98	Very high	6 Å²	6	29.7 Å²	29.7	5%	0.05	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.4	172.8	0	0	0	0	0	110.2	S477 H512 L514	A466-S477 PolarHBondContact N-O 3.06Å; A466-S477 PolarHBondContact O-N 2.74Å; A466-S477 PolarHBondContact O-OG 2.9Å; A466-S477 VanDerWaalsContact O-OG 3.1Å; A466-H512 WeakPolarHBondContact CB-NE2 3.35Å; A466-H512 WeakPolarHBondContact CB-O 3.34Å; A466-L514 HydrophobicContact CB-CB 3.8Å
467	G	98.3	Very high	98	Very high	5 Å²	5	27.6 Å²	27.6	5%	0.052	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	165.8	179.2	0	0	0	0	0	114	Y419 Y475	Y419-G467 WeakPolarHBondContact CE2-O 3.23Å; Y419-G467 VanDerWaalsContact OH-C 3.3Å; Y419-G467 PolarHBondContact OH-O 3.29Å; G467-Y475 CarbonylContact C-O 3.58Å; G467-Y475 WeakPolarHBondContact CA-O 3.29Å
468	A	98.3	Very high	98	Very high	5 Å²	5	25 Å²	25	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.4	177.1	0	0	0	0	0	111.6	Y419 Y475 L514 V516 L521	Y419-A468 VanDerWaalsContact OH-CA 3.23Å; Y419-A468 WeakPolarHBondContact OH-CA 2.93Å; Y419-A468 PolarHBondContact OH-N 2.94Å; A468-Y475 PolarHBondContact N-O 3.08Å; A468-Y475 PolarHBondContact O-N 3.27Å; A468-L514 HydrophobicContact CB-CB 4.36Å; A468-L514 HydrophobicContact CB-CD2 3.86Å; A468-L514 HydrophobicContact CB-CG 3.92Å; A468-V516 HydrophobicContact CB-CG2 3.57Å; A468-L521 HydrophobicContact CB-CD2 4.38Å; A468-L521 HydrophobicContact CB-CG 4.43Å
469	V	98.3	Very high	98	Very high	43 Å²	43	24.8 Å²	24.8	26%	0.261	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.3	173.5	-179	0	0	0	0	109.1	C421 L423 K473 I474	C421-V469 HydrophobicContact CB-CG2 3.52Å; C421-V469 VanDerWaalsContact SG-CG2 3.51Å; L423-V469 HydrophobicContact CD1-CG1 3.98Å; L423-V469 HydrophobicContact CD2-CG1 4.37Å; V469-K473 WeakPolarHBondContact CA-O 3.41Å; V469-I474 HydrophobicContact CG2-CG1 4.43Å
470	H	97.9	Very high	98	Very high	9 Å²	9	22.7 Å²	22.7	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	129.7	178.8	176.8	-92.8	0	0	0	110.7	G472 K473 Y475 V516 D519 L521	H470-G472 VanDerWaalsContact C-N 3.33Å; H470-G472 PolarHBondContact O-N 2.95Å; H470-K473 PolarHBondContact N-O 2.96Å; H470-K473 PolarHBondContact O-N 3.47Å; H470-Y475 HydrophobicContact CB-CD2 4.22Å; H470-Y475 HydrophobicContact CB-CE2 3.96Å; H470-V516 HydrophobicContact CB-CG2 4.22Å; H470-D519 PolarHBondContact NE2-O 2.95Å; H470-L521 HydrophobicContact CB-CD1 3.87Å
471	N	96.3	Very high	97.9	Very high	114 Å²	114	20.2 Å²	20.2	61%	0.61	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.3	50.8	-179.5	-68.4	-9.7	0	0	0	114.3	K473	N471-K473 VanDerWaalsContact C-N 3.25Å; N471-K473 PolarHBondContact O-N 3.24Å
472	G	97.3	Very high	97.5	Very high	39 Å²	39	24.2 Å²	24.2	40%	0.402	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	11.1	176.9	0	0	0	0	0	115.2	H470 P494	H470-G472 VanDerWaalsContact C-N 3.33Å; H470-G472 PolarHBondContact O-N 2.95Å; G472-P494 WeakPolarHBondContact O-CD 3.44Å; G472-P494 WeakPolarHBondContact O-CG 3.29Å
473	K	98.3	Very high	97.1	Very high	71 Å²	71	26 Å²	26	31%	0.309	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.1	179.3	-56.7	-160.3	-173.3	-148.6	0	111.6	V469 H470 N471 Y475 Y492 D493	V469-K473 WeakPolarHBondContact CA-O 3.41Å; H470-K473 PolarHBondContact N-O 2.96Å; H470-K473 PolarHBondContact O-N 3.47Å; N471-K473 VanDerWaalsContact C-N 3.25Å; N471-K473 PolarHBondContact O-N 3.24Å; K473-Y475 HydrophobicContact CB-CE2 3.93Å; K473-Y492 WeakPolarHBondContact CA-O 3.48Å; K473-Y492 WeakPolarHBondContact CB-O 3.04Å; K473-D493 VanDerWaalsContact CE-OD2 3.28Å; K473-D493 WeakPolarHBondContact CE-OD2 3.38Å; K473-D493 IonicContact NZ-OD2 2.68Å; K473-D493 PolarHBondContact NZ-OD2 2.96Å
474	I	98.8	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.9	179	-46.8	175.6	0	0	0	108.5	Y419 L423 Y428 I430 V469 C491 Y492	Y419-I474 HydrophobicContact CD1-CG2 4.41Å; Y419-I474 HydrophobicContact CE1-CG2 3.91Å; L423-I474 HydrophobicContact CD2-CD1 4.24Å; L423-I474 HydrophobicContact CD2-CG1 3.8Å; Y428-I474 HydrophobicContact CD1-CD1 4.06Å; Y428-I474 HydrophobicContact CD2-CD1 3.67Å; Y428-I474 HydrophobicContact CE2-CD1 4.3Å; Y428-I474 HydrophobicContact CG-CD1 3.52Å; I430-I474 HydrophobicContact CD1-CD1 4.26Å; I430-I474 HydrophobicContact CD1-CG2 3.76Å; V469-I474 HydrophobicContact CG2-CG1 4.43Å; I474-C491 CarbonylContact O-C 3.6Å; I474-C491 WeakPolarHBondContact O-CA 3.37Å; I474-Y492 HydrophobicContact CB-CD1 4.43Å; I474-Y492 HydrophobicContact CD1-CD1 3.86Å; I474-Y492 HydrophobicContact CD1-CE1 4.35Å; I474-Y492 HydrophobicContact CG1-CD1 4.21Å; I474-Y492 PolarHBondContact N-O 3.48Å; I474-Y492 VanDerWaalsContact N-O 3.14Å; I474-Y492 PolarHBondContact O-N 3.44Å
475	Y	98.8	Very high	96.9	Very high	14 Å²	14	31.3 Å²	31.3	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.1	178	-66.4	-100.9	0	0	0	109.6	G467 A468 H470 K473 L489 Y490 C491 L521 Y543	G467-Y475 CarbonylContact C-O 3.58Å; G467-Y475 WeakPolarHBondContact CA-O 3.29Å; A468-Y475 PolarHBondContact N-O 3.08Å; A468-Y475 PolarHBondContact O-N 3.27Å; H470-Y475 HydrophobicContact CB-CD2 4.22Å; H470-Y475 HydrophobicContact CB-CE2 3.96Å; K473-Y475 HydrophobicContact CB-CE2 3.93Å; Y475-L489 HydrophobicContact CD1-CD1 4.39Å; Y475-Y490 CarbonylContact C-O 3.6Å; Y475-Y490 WeakPolarHBondContact CA-O 3.47Å; Y475-C491 HydrophobicContact CD1-CB 3.93Å; Y475-C491 HydrophobicContact CE1-CB 3.81Å; Y475-C491 VanDerWaalsContact CE1-SG 3.55Å; Y475-C491 VanDerWaalsContact CZ-SG 3.54Å; Y475-L521 HydrophobicContact CD1-CD2 3.99Å; Y475-L521 HydrophobicContact CD2-CD2 3.88Å; Y475-L521 HydrophobicContact CG-CD2 3.54Å; Y475-Y543 HydrophobicContact CD1-CE1 4.31Å; Y475-Y543 AromaticContact CE1-CE1 3.94Å; Y475-Y543 HydrophobicContact CE1-CE1 3.94Å
476	I	98.8	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.3	177	-60.3	-64.7	0	0	0	108.5	Y419 I430 L458 L462 H465 L489 Y490 W499	Y419-I476 HydrophobicContact CD1-CD1 3.5Å; Y419-I476 VanDerWaalsContact CD1-CD1 3.5Å; Y419-I476 HydrophobicContact CE1-CD1 4.32Å; Y419-I476 HydrophobicContact CG-CD1 3.96Å; I430-I476 HydrophobicContact CB-CD1 4.31Å; I430-I476 HydrophobicContact CD1-CD1 4.05Å; I430-I476 HydrophobicContact CG2-CD1 3.81Å; I430-I476 HydrophobicContact CG2-CG1 3.96Å; L458-I476 HydrophobicContact CD2-CG1 4.48Å; L462-I476 HydrophobicContact CD2-CG2 3.79Å; H465-I476 HydrophobicContact CB-CG2 4.01Å; I476-L489 CarbonylContact O-C 3.51Å; I476-L489 WeakPolarHBondContact O-CA 3.39Å; I476-Y490 PolarHBondContact N-O 2.79Å; I476-Y490 PolarHBondContact O-N 2.79Å; I476-W499 HydrophobicContact CB-CZ3 4.31Å; I476-W499 HydrophobicContact CG1-CH2 3.62Å; I476-W499 HydrophobicContact CG1-CZ3 3.74Å
477	S	98.6	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142	-175.1	67.1	0	0	0	0	112.1	H465 A466 W488 H512	H465-S477 WeakPolarHBondContact CB-O 3.19Å; A466-S477 PolarHBondContact N-O 3.06Å; A466-S477 PolarHBondContact O-N 2.74Å; A466-S477 PolarHBondContact O-OG 2.9Å; A466-S477 VanDerWaalsContact O-OG 3.1Å; S477-W488 CarbonylContact C-O 3.52Å; S477-W488 VanDerWaalsContact CA-O 3.27Å; S477-W488 WeakPolarHBondContact CA-O 3.4Å; S477-H512 PolarHBondContact O-CE1 2.81Å; S477-H512 PolarHBondContact O-NE2 3.09Å; S477-H512 PolarHBondContact OG-NE2 2.95Å
478	G	98.4	Very high	96.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	20%	0.195	C	C	.	.			trans	59.9	-146.2	170.9	0	0	0	0	0	114.5	L462 H465 V486 W488 M505 R509	L462-G478 WeakPolarHBondContact CD1-O 3.39Å; L462-G478 WeakPolarHBondContact CD2-O 3.46Å; H465-G478 WeakPolarHBondContact CB-O 3.49Å; G478-V486 VanDerWaalsContact CA-O 3.29Å; G478-V486 WeakPolarHBondContact CA-O 3.45Å; G478-W488 PolarHBondContact N-O 2.95Å; G478-M505 VanDerWaalsContact CA-CE 3.47Å; G478-R509 WeakPolarHBondContact CA-O 3.39Å
479	G	98.1	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.			trans	98.3	-166.5	-179.1	0	0	0	0	0	114.1	A463 A464 V486 R509	A463-G479 CarbonylContact O-C 3.53Å; A463-G479 WeakPolarHBondContact O-CA 3.31Å; A464-G479 WeakPolarHBondContact O-CA 3.5Å; G479-V486 PolarHBondContact O-N 3.5Å; G479-R509 PolarHBondContact N-O 3.31Å
480	V	96.9	Very high	96.9	Very high	19 Å²	19	33.2 Å²	33.2	12%	0.115	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.4	-178.7	-175.1	0	0	0	0	110	Y438 A463 A464 E484 Y485 A510	Y438-V480 HydrophobicContact CE1-CG1 4.3Å; Y438-V480 WeakPolarHBondContact OH-CG1 3.36Å; A463-V480 PolarHBondContact N-O 2.8Å; A463-V480 VanDerWaalsContact N-O 3.17Å; A463-V480 PolarHBondContact O-N 3.08Å; A464-V480 HydrophobicContact CB-CG2 4.47Å; V480-E484 CarbonylContact C-O 3.53Å; V480-E484 WeakPolarHBondContact CA-O 3.5Å; V480-Y485 HydrophobicContact CG2-CD1 4.46Å; V480-Y485 HydrophobicContact CG2-CE1 4.4Å; V480-A510 HydrophobicContact CG2-CB 3.62Å
481	H	95.1	Very high	97	Very high	26 Å²	26	33.1 Å²	33.1	12%	0.12	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.8	176.1	170.9	81.5	0	0	0	108.8	Q460 P461 L462 G483 E484 V486 W488	Q460-H481 PolarHBondContact OE1-CE1 3.02Å; Q460-H481 VanDerWaalsContact OE1-CE1 3.23Å; P461-H481 PolarHBondContact O-ND1 2.96Å; L462-H481 HydrophobicContact CD1-CB 4.2Å; H481-G483 PolarHBondContact O-N 3.11Å; H481-G483 VanDerWaalsContact O-N 3.16Å; H481-E484 PolarHBondContact N-O 2.93Å; H481-E484 PolarHBondContact O-N 3.05Å; H481-V486 HydrophobicContact CB-CG1 4.11Å; H481-W488 HydrophobicContact CB-CH2 4.21Å; H481-W488 HydrophobicContact CB-CZ3 4.03Å; H481-W488 AromaticContact CD2-CH2 3.69Å; H481-W488 AromaticContact CG-CH2 3.81Å; H481-W488 AromaticContact CG-CZ3 3.9Å
482	N	91.1	Very high	97.1	Very high	123 Å²	123	27.8 Å²	27.8	66%	0.658	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	37.3	-178.9	-66	-18.7	0	0	0	114.2	E484	N482-E484 PolarHBondContact O-N 3.09Å
483	G	88.6	Confident	97.1	Very high	40 Å²	40	27.1 Å²	27.1	41%	0.412	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-13.7	-177.2	0	0	0	0	0	115.1	Y438 H481	Y438-G483 PolarHBondContact OH-N 3.2Å; H481-G483 PolarHBondContact O-N 3.11Å; H481-G483 VanDerWaalsContact O-N 3.16Å
484	E	93.9	Very high	97.1	Very high	109 Å²	109	25.1 Å²	25.1	51%	0.509	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	142.2	178.4	-83.3	-60.9	146.1	0	0	112.9	V480 H481 N482 K508	V480-E484 CarbonylContact C-O 3.53Å; V480-E484 WeakPolarHBondContact CA-O 3.5Å; H481-E484 PolarHBondContact N-O 2.93Å; H481-E484 PolarHBondContact O-N 3.05Å; N482-E484 PolarHBondContact O-N 3.09Å; E484-K508 IonicContact OE2-NZ 3.18Å; E484-K508 PolarHBondContact OE2-NZ 2.94Å
485	Y	96.8	Very high	96.9	Very high	23 Å²	23	31.6 Å²	31.6	9%	0.09	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134	172.3	-71.5	-107.2	0	0	0	109.5	V480 K508 A510 N527 H528 L529 H534	V480-Y485 HydrophobicContact CG2-CD1 4.46Å; V480-Y485 HydrophobicContact CG2-CE1 4.4Å; Y485-K508 WeakPolarHBondContact O-CD 3.43Å; Y485-K508 PolarHBondContact O-NZ 3.17Å; Y485-A510 HydrophobicContact CD1-CB 3.59Å; Y485-A510 HydrophobicContact CE1-CB 3.55Å; Y485-N527 WeakPolarHBondContact CD1-O 3.34Å; Y485-N527 WeakPolarHBondContact CE1-O 3.42Å; Y485-N527 WeakPolarHBondContact CE1-OD1 3.32Å; Y485-N527 PolarHBondContact OH-ND2 3.05Å; Y485-N527 PolarHBondContact OH-OD1 3.32Å; Y485-H528 HydrophobicContact CD1-CB 4Å; Y485-H528 HydrophobicContact CE1-CB 4.48Å; Y485-H528 HydrophobicContact CG-CB 4.25Å; Y485-L529 HydrophobicContact CD2-CB 4.47Å; Y485-L529 HydrophobicContact CD2-CD1 4.22Å; Y485-L529 HydrophobicContact CD2-CG 4.18Å; Y485-L529 HydrophobicContact CE2-CB 4.33Å; Y485-L529 HydrophobicContact CE2-CD1 3.73Å; Y485-L529 HydrophobicContact CE2-CG 3.6Å; Y485-H534 PolarHBondContact OH-CE1 2.83Å; Y485-H534 PolarHBondContact OH-ND1 3.15Å
486	V	97.9	Very high	96.9	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.055	20%	0.204	C	C	.	.			trans	-117.6	150.5	-177.2	-63.3	0	0	0	0	112.5	L462 G478 G479 H481 W488 R509	L462-V486 HydrophobicContact CD1-CG2 3.8Å; G478-V486 VanDerWaalsContact CA-O 3.29Å; G478-V486 WeakPolarHBondContact CA-O 3.45Å; G479-V486 PolarHBondContact O-N 3.5Å; H481-V486 HydrophobicContact CB-CG1 4.11Å; V486-W488 VanDerWaalsContact C-N 3.34Å; V486-W488 HydrophobicContact CB-CB 4.36Å; V486-W488 HydrophobicContact CB-CD2 3.61Å; V486-W488 HydrophobicContact CB-CE3 4.1Å; V486-W488 HydrophobicContact CB-CG 3.68Å; V486-W488 HydrophobicContact CB-CZ2 4.47Å; V486-W488 HydrophobicContact CG1-CD2 3.83Å; V486-W488 HydrophobicContact CG1-CE3 4.11Å; V486-W488 HydrophobicContact CG1-CG 4.38Å; V486-W488 HydrophobicContact CG1-CH2 4.09Å; V486-W488 HydrophobicContact CG1-CZ2 3.79Å; V486-W488 HydrophobicContact CG1-CZ3 4.22Å; V486-W488 HydrophobicContact CG2-CB 4.16Å; V486-W488 HydrophobicContact CG2-CD2 3.77Å; V486-W488 HydrophobicContact CG2-CE3 3.82Å; V486-W488 HydrophobicContact CG2-CG 3.89Å; V486-R509 PolarHBondContact O-N 2.83Å
487	P	98.1	Very high	96.9	Very high	33 Å²	33	40 Å²	40	21%	0.214	22%	0.22	C	C	.	.			trans	-92.5	6.3	173	36.5	-35.6	0	0	0	113.4	D504 M505 K508	P487-D504 HydrophobicContact CB-CB 4.24Å; P487-D504 HydrophobicContact CG-CB 4.19Å; P487-M505 HydrophobicContact CB-CB 4.32Å; P487-M505 WeakPolarHBondContact CB-O 3.36Å; P487-M505 PolarHBondContact O-N 3.09Å; P487-K508 HydrophobicContact CB-CB 4.16Å
488	W	98.6	Very high	96.8	Very high	52 Å²	52	43 Å²	43	20%	0.197	24%	0.238	C	C	.	.			trans	-59.3	141.4	-163.5	-62.5	-6.8	0	0	0	113.9	Q460 S477 G478 H481 V486 Y490 R501 D504	Q460-W488 HydrophobicContact CB-CH2 4.21Å; Q460-W488 HydrophobicContact CB-CZ3 3.62Å; Q460-W488 HydrophobicContact CG-CH2 4.02Å; Q460-W488 HydrophobicContact CG-CZ3 3.87Å; S477-W488 CarbonylContact C-O 3.52Å; S477-W488 VanDerWaalsContact CA-O 3.27Å; S477-W488 WeakPolarHBondContact CA-O 3.4Å; G478-W488 PolarHBondContact N-O 2.95Å; H481-W488 HydrophobicContact CB-CH2 4.21Å; H481-W488 HydrophobicContact CB-CZ3 4.03Å; H481-W488 AromaticContact CD2-CH2 3.69Å; H481-W488 AromaticContact CG-CH2 3.81Å; H481-W488 AromaticContact CG-CZ3 3.9Å; V486-W488 VanDerWaalsContact C-N 3.34Å; V486-W488 HydrophobicContact CB-CB 4.36Å; V486-W488 HydrophobicContact CB-CD2 3.61Å; V486-W488 HydrophobicContact CB-CE3 4.1Å; V486-W488 HydrophobicContact CB-CG 3.68Å; V486-W488 HydrophobicContact CB-CZ2 4.47Å; V486-W488 HydrophobicContact CG1-CD2 3.83Å; V486-W488 HydrophobicContact CG1-CE3 4.11Å; V486-W488 HydrophobicContact CG1-CG 4.38Å; V486-W488 HydrophobicContact CG1-CH2 4.09Å; V486-W488 HydrophobicContact CG1-CZ2 3.79Å; V486-W488 HydrophobicContact CG1-CZ3 4.22Å; V486-W488 HydrophobicContact CG2-CB 4.16Å; V486-W488 HydrophobicContact CG2-CD2 3.77Å; V486-W488 HydrophobicContact CG2-CE3 3.82Å; V486-W488 HydrophobicContact CG2-CG 3.89Å; W488-Y490 HydrophobicContact CB-CE2 4.37Å; W488-Y490 AromaticContact CE3-CE2 3.9Å; W488-Y490 HydrophobicContact CE3-CE2 3.9Å; W488-R501 VanDerWaalsContact CG-CZ 3.5Å; W488-R501 VanDerWaalsContact CG-NH1 3.25Å; W488-D504 WeakPolarHBondContact CA-OD1 3.34Å
489	L	98.7	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.7	168.2	-176.6	65.8	0	0	0	111	Y475 I476 R501 K502 Q503 D504 Y543 W550	Y475-L489 HydrophobicContact CD1-CD1 4.39Å; I476-L489 CarbonylContact O-C 3.51Å; I476-L489 WeakPolarHBondContact O-CA 3.39Å; L489-R501 VanDerWaalsContact O-CD 3.3Å; L489-R501 WeakPolarHBondContact O-CD 3.44Å; L489-K502 HydrophobicContact CB-CB 4.14Å; L489-K502 HydrophobicContact CD2-CB 3.65Å; L489-K502 HydrophobicContact CG-CB 3.79Å; L489-K502 WeakPolarHBondContact O-CB 3.5Å; L489-K502 PolarHBondContact O-N 3.38Å; L489-Q503 WeakPolarHBondContact CB-O 3.49Å; L489-D504 PolarHBondContact N-OD1 3.17Å; L489-Y543 HydrophobicContact CD2-CD1 4.01Å; L489-Y543 HydrophobicContact CD2-CD2 3.78Å; L489-Y543 HydrophobicContact CD2-CE1 3.77Å; L489-Y543 HydrophobicContact CD2-CE2 3.53Å; L489-Y543 HydrophobicContact CD2-CG 4.01Å; L489-W550 HydrophobicContact CD1-CZ2 4.17Å; L489-W550 HydrophobicContact CD2-CZ2 3.87Å; L489-W550 HydrophobicContact CG-CZ2 4.42Å
490	Y	98.8	Very high	96.9	Very high	16 Å²	16	46.9 Å²	46.9	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148	172.1	-67.2	-67.7	0	0	0	111.2	P459 Y475 I476 W488 R501	P459-Y490 HydrophobicContact CB-CE1 3.9Å; P459-Y490 HydrophobicContact CG-CD1 4Å; P459-Y490 HydrophobicContact CG-CE1 3.69Å; Y475-Y490 CarbonylContact C-O 3.6Å; Y475-Y490 WeakPolarHBondContact CA-O 3.47Å; I476-Y490 PolarHBondContact N-O 2.79Å; I476-Y490 PolarHBondContact O-N 2.79Å; W488-Y490 HydrophobicContact CB-CE2 4.37Å; W488-Y490 AromaticContact CE3-CE2 3.9Å; W488-Y490 HydrophobicContact CE3-CE2 3.9Å; Y490-R501 PolarHBondContact OH-NH1 3.14Å; Y490-R501 VanDerWaalsContact OH-NH1 3.14Å
491	C	98.6	Very high	96.9	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.3	175.5	-179.9	0	0	0	0	109.5	I474 Y475 W499 A500 K502	I474-C491 CarbonylContact O-C 3.6Å; I474-C491 WeakPolarHBondContact O-CA 3.37Å; Y475-C491 HydrophobicContact CD1-CB 3.93Å; Y475-C491 HydrophobicContact CE1-CB 3.81Å; Y475-C491 VanDerWaalsContact CE1-SG 3.55Å; Y475-C491 VanDerWaalsContact CZ-SG 3.54Å; C491-W499 CarbonylContact O-C 3.57Å; C491-W499 WeakPolarHBondContact O-CA 3.36Å; C491-A500 PolarHBondContact N-O 3.24Å; C491-A500 PolarHBondContact O-N 2.81Å; C491-K502 HydrophobicContact CB-CG 3.74Å
492	Y	98.8	Very high	97.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.5	176.9	176	-110.5	0	0	0	110.9	Y428 K473 I474 P494 D497 V498 W499	Y428-Y492 HydrophobicContact CD1-CE1 4.12Å; Y428-Y492 AromaticContact CE1-CE1 3.76Å; Y428-Y492 HydrophobicContact CE1-CE1 3.76Å; K473-Y492 WeakPolarHBondContact CA-O 3.48Å; K473-Y492 WeakPolarHBondContact CB-O 3.04Å; I474-Y492 HydrophobicContact CB-CD1 4.43Å; I474-Y492 HydrophobicContact CD1-CD1 3.86Å; I474-Y492 HydrophobicContact CD1-CE1 4.35Å; I474-Y492 HydrophobicContact CG1-CD1 4.21Å; I474-Y492 PolarHBondContact N-O 3.48Å; I474-Y492 VanDerWaalsContact N-O 3.14Å; I474-Y492 PolarHBondContact O-N 3.44Å; Y492-P494 HydrophobicContact CD1-CB 4.32Å; Y492-P494 HydrophobicContact CE1-CB 3.72Å; Y492-D497 WeakPolarHBondContact CE2-OD1 3.47Å; Y492-D497 PolarHBondContact OH-OD1 2.92Å; Y492-V498 WeakPolarHBondContact CA-O 3.4Å; Y492-V498 WeakPolarHBondContact CD2-O 3.31Å; Y492-W499 AromaticContact CD2-CD1 3.88Å; Y492-W499 AromaticContact CD2-CD2 3.97Å; Y492-W499 HydrophobicContact CD2-CD2 3.97Å; Y492-W499 AromaticContact CD2-CE2 3.61Å; Y492-W499 HydrophobicContact CD2-CG 4.14Å; Y492-W499 HydrophobicContact CD2-CZ2 4.07Å; Y492-W499 AromaticContact CD2-NE1 3.53Å; Y492-W499 HydrophobicContact CG-CD2 4.28Å; Y492-W499 AromaticContact CG-CE2 3.97Å; Y492-W499 HydrophobicContact CG-CH2 4.35Å; Y492-W499 HydrophobicContact CG-CZ2 4Å
493	D	98.1	Very high	97.4	Very high	24 Å²	24	51.7 Å²	51.7	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	109.4	170.8	-168.4	-51.9	0	0	0	109.4	K473 V495 M496 D497 V498	K473-D493 VanDerWaalsContact CE-OD2 3.28Å; K473-D493 WeakPolarHBondContact CE-OD2 3.38Å; K473-D493 IonicContact NZ-OD2 2.68Å; K473-D493 PolarHBondContact NZ-OD2 2.96Å; D493-V495 VanDerWaalsContact C-N 3.26Å; D493-V495 PolarHBondContact O-N 3.14Å; D493-V495 WeakPolarHBondContact OD1-CB 3.47Å; D493-V495 PolarHBondContact OD1-N 2.75Å; D493-M496 HydrophobicContact CB-CB 4.26Å; D493-M496 PolarHBondContact OD1-N 2.83Å; D493-D497 WeakPolarHBondContact O-CA 3.41Å; D493-D497 PolarHBondContact O-N 2.82Å; D493-V498 HydrophobicContact CB-CG2 4.34Å; D493-V498 PolarHBondContact N-O 2.86Å; D493-V498 PolarHBondContact O-N 3.28Å
494	P	96.8	Very high	97.9	Very high	29 Å²	29	51.8 Å²	51.8	19%	0.188	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.9	-176.9	33.7	-39.8	0	0	0	113.8	L423 G472 Y492	L423-P494 HydrophobicContact CD2-CB 4.41Å; L423-P494 HydrophobicContact CD2-CG 3.77Å; G472-P494 WeakPolarHBondContact O-CD 3.44Å; G472-P494 WeakPolarHBondContact O-CG 3.29Å; Y492-P494 HydrophobicContact CD1-CB 4.32Å; Y492-P494 HydrophobicContact CE1-CB 3.72Å
495	V	96.6	Very high	98.1	Very high	136 Å²	136	47 Å²	47	82%	0.824	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-39.7	178.9	-177.9	0	0	0	0	109.8	D493	D493-V495 VanDerWaalsContact C-N 3.26Å; D493-V495 PolarHBondContact O-N 3.14Å; D493-V495 WeakPolarHBondContact OD1-CB 3.47Å; D493-V495 PolarHBondContact OD1-N 2.75Å
496	M	97.4	Very high	98.1	Very high	131 Å²	131	50.9 Å²	50.9	65%	0.645	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.1	176.5	-69.9	-176.4	62.2	0	0	114	D493 V498	D493-M496 HydrophobicContact CB-CB 4.26Å; D493-M496 PolarHBondContact OD1-N 2.83Å; M496-V498 HydrophobicContact CB-CG2 3.73Å; M496-V498 HydrophobicContact CE-CG2 4.24Å
497	D	98.2	Very high	98	Very high	61 Å²	61	51.7 Å²	51.7	33%	0.326	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	47.6	-172.6	-161	4.5	0	0	0	112.6	S456 Y492 D493	S456-D497 WeakPolarHBondContact CA-OD1 3.49Å; S456-D497 WeakPolarHBondContact CB-O 3.32Å; S456-D497 WeakPolarHBondContact CB-OD1 3.19Å; S456-D497 PolarHBondContact N-OD1 3.35Å; S456-D497 PolarHBondContact OG-O 2.81Å; Y492-D497 WeakPolarHBondContact CE2-OD1 3.47Å; Y492-D497 PolarHBondContact OH-OD1 2.92Å; D493-D497 WeakPolarHBondContact O-CA 3.41Å; D493-D497 PolarHBondContact O-N 2.82Å
498	V	98.4	Very high	97.9	Very high	63 Å²	63	53.4 Å²	53.4	38%	0.382	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.4	-178.8	-61.3	0	0	0	0	113.1	Y492 D493 M496	Y492-V498 WeakPolarHBondContact CA-O 3.4Å; Y492-V498 WeakPolarHBondContact CD2-O 3.31Å; D493-V498 HydrophobicContact CB-CG2 4.34Å; D493-V498 PolarHBondContact N-O 2.86Å; D493-V498 PolarHBondContact O-N 3.28Å; M496-V498 HydrophobicContact CB-CG2 3.73Å; M496-V498 HydrophobicContact CE-CG2 4.24Å
499	W	98.8	Very high	97.8	Very high	32 Å²	32	50.9 Å²	50.9	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.7	170.9	-69.8	91.9	0	0	0	111.2	I430 V442 S456 S457 L458 P459 I476 C491 Y492	I430-W499 HydrophobicContact CD1-CH2 4.17Å; I430-W499 HydrophobicContact CD1-CZ2 4.48Å; I430-W499 HydrophobicContact CG1-CH2 4.48Å; I430-W499 HydrophobicContact CG1-CZ2 4.43Å; I430-W499 HydrophobicContact CG2-CH2 4.08Å; I430-W499 HydrophobicContact CG2-CZ2 4.28Å; V442-W499 HydrophobicContact CG2-CZ2 3.92Å; S456-W499 PolarHBondContact O-NE1 2.8Å; S457-W499 PolarHBondContact O-NE1 3.42Å; L458-W499 HydrophobicContact CD2-CD2 4.14Å; L458-W499 HydrophobicContact CD2-CE3 4.03Å; L458-W499 HydrophobicContact CD2-CH2 3.5Å; L458-W499 HydrophobicContact CD2-CZ2 3.64Å; L458-W499 HydrophobicContact CD2-CZ3 3.7Å; L458-W499 HydrophobicContact CG-CH2 4.44Å; L458-W499 HydrophobicContact CG-CZ2 4.17Å; P459-W499 HydrophobicContact CG-CB 3.74Å; P459-W499 HydrophobicContact CG-CG 4.32Å; I476-W499 HydrophobicContact CB-CZ3 4.31Å; I476-W499 HydrophobicContact CG1-CH2 3.62Å; I476-W499 HydrophobicContact CG1-CZ3 3.74Å; C491-W499 CarbonylContact O-C 3.57Å; C491-W499 WeakPolarHBondContact O-CA 3.36Å; Y492-W499 AromaticContact CD2-CD1 3.88Å; Y492-W499 AromaticContact CD2-CD2 3.97Å; Y492-W499 HydrophobicContact CD2-CD2 3.97Å; Y492-W499 AromaticContact CD2-CE2 3.61Å; Y492-W499 HydrophobicContact CD2-CG 4.14Å; Y492-W499 HydrophobicContact CD2-CZ2 4.07Å; Y492-W499 AromaticContact CD2-NE1 3.53Å; Y492-W499 HydrophobicContact CG-CD2 4.28Å; Y492-W499 AromaticContact CG-CE2 3.97Å; Y492-W499 HydrophobicContact CG-CH2 4.35Å; Y492-W499 HydrophobicContact CG-CZ2 4Å
500	A	98.3	Very high	97.8	Very high	50 Å²	50	50.9 Å²	50.9	41%	0.413	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.1	170.2	0	0	0	0	0	110.4	C491	C491-A500 PolarHBondContact N-O 3.24Å; C491-A500 PolarHBondContact O-N 2.81Å
501	R	98.1	Very high	97.7	Very high	101 Å²	101	52.7 Å²	52.7	38%	0.381	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.3	169	-172.9	54.5	170.7	-110.4	-20.6	109.8	W488 L489 Y490 D504	W488-R501 VanDerWaalsContact CG-CZ 3.5Å; W488-R501 VanDerWaalsContact CG-NH1 3.25Å; L489-R501 VanDerWaalsContact O-CD 3.3Å; L489-R501 WeakPolarHBondContact O-CD 3.44Å; Y490-R501 PolarHBondContact OH-NH1 3.14Å; Y490-R501 VanDerWaalsContact OH-NH1 3.14Å; R501-D504 IonicContact CZ-OD1 3.45Å; R501-D504 IonicContact CZ-OD2 2.83Å; R501-D504 IonicContact NE-OD1 3.9Å; R501-D504 PolarHBondContact NE-OD1 2.59Å; R501-D504 IonicContact NH2-OD1 2.93Å; R501-D504 PolarHBondContact NH2-OD1 3.23Å; R501-D504 IonicContact NH2-OD2 2.63Å; R501-D504 PolarHBondContact NH2-OD2 3.11Å
502	K	98.4	Very high	97.7	Very high	61 Å²	61	53 Å²	53	27%	0.265	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	176	176.6	-68.9	-52.7	-153.5	167.2	0	110.9	L489 C491 D504 D548	L489-K502 HydrophobicContact CB-CB 4.14Å; L489-K502 HydrophobicContact CD2-CB 3.65Å; L489-K502 HydrophobicContact CG-CB 3.79Å; L489-K502 WeakPolarHBondContact O-CB 3.5Å; L489-K502 PolarHBondContact O-N 3.38Å; C491-K502 HydrophobicContact CB-CG 3.74Å; K502-D504 PolarHBondContact O-N 2.72Å; K502-D548 VanDerWaalsContact CD-OD2 3.23Å; K502-D548 WeakPolarHBondContact CD-OD2 3.45Å; K502-D548 IonicContact NZ-OD2 3.77Å; K502-D548 PolarHBondContact NZ-OD2 3.5Å
503	Q	98.5	Very high	97.6	Very high	107 Å²	107	53.9 Å²	53.9	50%	0.5	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-59	126.1	177.2	-177.4	59.1	34.3	0	0	110.8	L489 Y543 D548 W550	L489-Q503 WeakPolarHBondContact CB-O 3.49Å; Q503-Y543 HydrophobicContact CB-CE2 4.46Å; Q503-D548 WeakPolarHBondContact CB-O 3.5Å; Q503-D548 WeakPolarHBondContact CB-OD1 3.33Å; Q503-D548 WeakPolarHBondContact CG-O 3.32Å; Q503-D548 PolarHBondContact N-OD1 3.04Å; Q503-W550 PolarHBondContact O-NE1 3.06Å
504	D	98.4	Very high	97.6	Very high	42 Å²	42	53.1 Å²	53.1	23%	0.225	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-69.1	150.9	179.1	-76.1	4.1	0	0	0	111.5	P487 W488 L489 R501 K502	P487-D504 HydrophobicContact CB-CB 4.24Å; P487-D504 HydrophobicContact CG-CB 4.19Å; W488-D504 WeakPolarHBondContact CA-OD1 3.34Å; L489-D504 PolarHBondContact N-OD1 3.17Å; R501-D504 IonicContact CZ-OD1 3.45Å; R501-D504 IonicContact CZ-OD2 2.83Å; R501-D504 IonicContact NE-OD1 3.9Å; R501-D504 PolarHBondContact NE-OD1 2.59Å; R501-D504 IonicContact NH2-OD1 2.93Å; R501-D504 PolarHBondContact NH2-OD1 3.23Å; R501-D504 IonicContact NH2-OD2 2.63Å; R501-D504 PolarHBondContact NH2-OD2 3.11Å; K502-D504 PolarHBondContact O-N 2.72Å
505	M	98.3	Very high	97.6	Very high	7 Å²	7	52 Å²	52	3%	0.034	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-60.2	153.4	172	-68.2	-179.3	-63.8	0	0	111	G478 P487 T507 R509 A523 W550	G478-M505 VanDerWaalsContact CA-CE 3.47Å; P487-M505 HydrophobicContact CB-CB 4.32Å; P487-M505 WeakPolarHBondContact CB-O 3.36Å; P487-M505 PolarHBondContact O-N 3.09Å; M505-T507 VanDerWaalsContact C-N 3.32Å; M505-R509 HydrophobicContact CE-CG 3.7Å; M505-R509 HydrophobicContact SD-CG 4.13Å; M505-A523 HydrophobicContact SD-CB 3.73Å; M505-W550 HydrophobicContact CG-CD2 4.03Å; M505-W550 HydrophobicContact CG-CE3 4.32Å; M505-W550 HydrophobicContact CG-CH2 3.67Å; M505-W550 HydrophobicContact CG-CZ2 3.3Å; M505-W550 HydrophobicContact CG-CZ3 4.17Å; M505-W550 HydrophobicContact SD-CH2 4.03Å; M505-W550 HydrophobicContact SD-CZ2 4.18Å
506	N	96	Very high	97.7	Very high	105 Å²	105	47.7 Å²	47.7	56%	0.561	25%	0.245	S	C	*	.	S	Bend	trans	-69.8	-34.7	173.7	-54.3	-87.3	0	0	0	110.8	E541 W550	N506-E541 WeakPolarHBondContact CA-OE2 3.15Å; N506-E541 VanDerWaalsContact CB-OE2 3.24Å; N506-E541 WeakPolarHBondContact CB-OE2 3.2Å; N506-E541 PolarHBondContact N-OE2 2.86Å; N506-E541 PolarHBondContact ND2-OE2 3.27Å; N506-W550 WeakPolarHBondContact ND2-CB 3.47Å
507	T	95.3	Very high	97.5	Very high	26 Å²	26	41.9 Å²	41.9	16%	0.16	22%	0.216	C	C	.	.	S	Bend	trans	-111.6	118.9	179.4	-39.2	0	0	0	0	111.2	M505 R509 V537 E541	M505-T507 VanDerWaalsContact C-N 3.32Å; T507-R509 PolarHBondContact O-N 3.41Å; T507-V537 HydrophobicContact CG2-CG1 3.74Å; T507-V537 HydrophobicContact CG2-CG2 4.35Å; T507-E541 WeakPolarHBondContact CB-OE1 3.21Å; T507-E541 PolarHBondContact N-OE1 2.89Å; T507-E541 PolarHBondContact OG1-OE1 2.88Å
508	K	96.6	Very high	97.2	Very high	69 Å²	69	43.4 Å²	43.4	30%	0.3	23%	0.225	S	C	.	.			trans	-61.3	132.2	167.2	75.9	-172.1	-151.7	152.6	0	109.4	E484 Y485 P487 H528	E484-K508 IonicContact OE2-NZ 3.18Å; E484-K508 PolarHBondContact OE2-NZ 2.94Å; Y485-K508 WeakPolarHBondContact O-CD 3.43Å; Y485-K508 PolarHBondContact O-NZ 3.17Å; P487-K508 HydrophobicContact CB-CB 4.16Å; K508-H528 HydrophobicContact CG-CB 4.22Å; K508-H528 VanDerWaalsContact O-CB 3.31Å; K508-H528 WeakPolarHBondContact O-CB 3.44Å; K508-H528 PolarHBondContact O-CD2 3.04Å
509	R	97.5	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.			trans	-155.7	150.9	-175.1	60.2	178	77.8	-145.8	12.6	111.3	G478 G479 V486 M505 T507 H512 G525 N527 V537 L539 E541	G478-R509 WeakPolarHBondContact CA-O 3.39Å; G479-R509 PolarHBondContact N-O 3.31Å; V486-R509 PolarHBondContact O-N 2.83Å; M505-R509 HydrophobicContact CE-CG 3.7Å; M505-R509 HydrophobicContact SD-CG 4.13Å; T507-R509 PolarHBondContact O-N 3.41Å; R509-H512 HydrophobicContact CG-CB 4.24Å; R509-G525 PolarHBondContact NH1-O 3.47Å; R509-N527 WeakPolarHBondContact CA-O 3.46Å; R509-V537 HydrophobicContact CB-CG2 4.16Å; R509-V537 VanDerWaalsContact CZ-CG1 3.41Å; R509-V537 VanDerWaalsContact NH1-CG1 3.28Å; R509-L539 PolarHBondContact NH1-O 2.83Å; R509-L539 PolarHBondContact NH2-O 2.86Å; R509-E541 IonicContact CZ-OE1 2.74Å; R509-E541 IonicContact NE-OE1 2.72Å; R509-E541 IonicContact NH2-OE1 3.69Å; R509-E541 PolarHBondContact NH2-OE1 3.21Å
510	A	97.6	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-136.8	166.3	169.5	0	0	0	0	0	110.4	A464 V480 Y485 H512 G526 N527	A464-A510 HydrophobicContact CB-CB 4.19Å; A464-A510 WeakPolarHBondContact O-CA 3.46Å; V480-A510 HydrophobicContact CG2-CB 3.62Å; Y485-A510 HydrophobicContact CD1-CB 3.59Å; Y485-A510 HydrophobicContact CE1-CB 3.55Å; A510-H512 PolarHBondContact O-N 3.44Å; A510-H512 VanDerWaalsContact O-N 3.14Å; A510-G526 CarbonylContact O-C 3.6Å; A510-G526 WeakPolarHBondContact O-CA 3.48Å; A510-N527 PolarHBondContact N-O 2.9Å; A510-N527 PolarHBondContact O-N 3.01Å; A510-N527 PolarHBondContact O-OD1 2.85Å
511	I	96.8	Very high	96.9	Very high	54 Å²	54	44.4 Å²	44.4	28%	0.277	22%	0.217	S	C	.	.	S	Bend	trans	53.3	29.3	-174	-26.8	174.9	0	0	0	111.6	A464 G526 G563	A464-I511 HydrophobicContact CB-CG1 3.96Å; A464-I511 PolarHBondContact O-N 3.41Å; I511-G526 WeakPolarHBondContact O-CA 3.36Å; I511-G563 VanDerWaalsContact CG2-CA 3.48Å; I511-G563 VanDerWaalsContact CG2-N 3.3Å; I511-G563 PolarHBondContact O-N 3.21Å
512	H	98.2	Very high	96.8	Very high	13 Å²	13	40.5 Å²	40.5	6%	0.06	20%	0.202	C	C	.	.			trans	-88.4	-179.6	171.6	62.6	-67.6	0	0	0	110.4	A466 S477 R509 A510 I524 G525	A466-H512 WeakPolarHBondContact CB-NE2 3.35Å; A466-H512 WeakPolarHBondContact CB-O 3.34Å; S477-H512 PolarHBondContact O-CE1 2.81Å; S477-H512 PolarHBondContact O-NE2 3.09Å; S477-H512 PolarHBondContact OG-NE2 2.95Å; R509-H512 HydrophobicContact CG-CB 4.24Å; A510-H512 PolarHBondContact O-N 3.44Å; A510-H512 VanDerWaalsContact O-N 3.14Å; H512-I524 WeakPolarHBondContact CB-O 3.46Å; H512-G525 VanDerWaalsContact CB-O 3.27Å; H512-G525 WeakPolarHBondContact CB-O 3.42Å
513	T	98.1	Very high	96.8	Very high	20 Å²	20	37.6 Å²	37.6	12%	0.123	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	158.4	167.1	-176.3	0	0	0	0	111.1	A523 I524 C566 L575	T513-A523 WeakPolarHBondContact O-CA 3.29Å; T513-I524 HydrophobicContact CG2-CB 3.8Å; T513-I524 HydrophobicContact CG2-CD1 4.43Å; T513-I524 HydrophobicContact CG2-CG2 4.45Å; T513-I524 PolarHBondContact N-O 3.18Å; T513-I524 PolarHBondContact O-N 3.02Å; T513-C566 HydrophobicContact CG2-CB 3.75Å; T513-C566 WeakPolarHBondContact OG1-CB 3.36Å; T513-C566 PolarHBondContact OG1-SG 3.21Å; T513-L575 HydrophobicContact CG2-CD2 3.73Å
514	L	98.1	Very high	96.8	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	100.4	173.9	-166.6	68.5	0	0	0	108.3	A466 A468 L521 Y522 A523 W550	A466-L514 HydrophobicContact CB-CB 3.8Å; A468-L514 HydrophobicContact CB-CB 4.36Å; A468-L514 HydrophobicContact CB-CD2 3.86Å; A468-L514 HydrophobicContact CB-CG 3.92Å; L514-L521 HydrophobicContact CD1-CB 4.11Å; L514-L521 HydrophobicContact CD2-CD2 4.08Å; L514-L521 HydrophobicContact CG-CB 4.35Å; L514-Y522 WeakPolarHBondContact CA-O 3.46Å; L514-A523 HydrophobicContact CD1-CB 3.95Å; L514-W550 HydrophobicContact CD1-CH2 4.13Å
515	A	97.2	Very high	96.8	Very high	6 Å²	6	30.5 Å²	30.5	5%	0.05	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.3	179.3	0	0	0	0	0	111.1	L521 Y522 I524 V568 I573	A515-L521 CarbonylContact O-C 3.59Å; A515-L521 WeakPolarHBondContact O-CA 3.31Å; A515-Y522 PolarHBondContact N-O 3.24Å; A515-Y522 PolarHBondContact O-N 3.48Å; A515-I524 HydrophobicContact CB-CD1 4.25Å; A515-V568 HydrophobicContact CB-CG2 4.25Å; A515-I573 HydrophobicContact CB-CD1 3.9Å; A515-I573 HydrophobicContact CB-CG1 4.17Å; A515-I573 HydrophobicContact CB-CG2 3.92Å
516	V	96.7	Very high	96.7	Very high	46 Å²	46	30.2 Å²	30.2	28%	0.279	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129	171.3	163.7	0	0	0	0	110	A468 H470 R520 L521	A468-V516 HydrophobicContact CB-CG2 3.57Å; H470-V516 HydrophobicContact CB-CG2 4.22Å; V516-R520 WeakPolarHBondContact CA-O 3.29Å; V516-L521 HydrophobicContact CG2-CD1 4Å; V516-L521 HydrophobicContact CG2-CG 3.7Å
517	M	94.6	Very high	96.7	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.039	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	142.2	-179.9	-171.3	176.7	68.9	0	0	108.1	D519 R520 Y522 I573 Y593 P595	M517-D519 PolarHBondContact O-N 3.15Å; M517-R520 PolarHBondContact N-O 2.84Å; M517-R520 VanDerWaalsContact N-O 3.08Å; M517-R520 PolarHBondContact O-N 3.37Å; M517-R520 VanDerWaalsContact O-O 3.12Å; M517-Y522 HydrophobicContact CB-CD2 4.36Å; M517-Y522 HydrophobicContact CB-CE2 4.01Å; M517-Y522 HydrophobicContact CE-CE2 4.09Å; M517-Y522 WeakPolarHBondContact O-CE2 3.49Å; M517-I573 HydrophobicContact CB-CD1 4.46Å; M517-I573 HydrophobicContact CE-CD1 3.77Å; M517-I573 HydrophobicContact CE-CG1 4.09Å; M517-I573 HydrophobicContact SD-CD1 4.08Å; M517-I573 HydrophobicContact SD-CG1 3.75Å; M517-Y593 HydrophobicContact CE-CD1 3.97Å; M517-Y593 HydrophobicContact CE-CE1 3.94Å; M517-P595 HydrophobicContact CE-CB 3.72Å; M517-P595 HydrophobicContact CE-CG 3.8Å; M517-P595 HydrophobicContact SD-CB 4.47Å; M517-P595 HydrophobicContact SD-CG 3.88Å
518	N	91.3	Very high	96.7	Very high	94 Å²	94	25.5 Å²	25.5	50%	0.503	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	50.9	174.7	-59.8	-27.6	0	0	0	114.8	R520	N518-R520 WeakPolarHBondContact O-CG 3.42Å; N518-R520 PolarHBondContact O-N 2.83Å; N518-R520 VanDerWaalsContact O-N 3.17Å
519	D	94.5	Very high	96.4	Very high	83 Å²	83	24.8 Å²	24.8	44%	0.444	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	18.9	-177.8	-84.9	13.7	0	0	0	115.4	H470 M517 K546	H470-D519 PolarHBondContact NE2-O 2.95Å; M517-D519 PolarHBondContact O-N 3.15Å; D519-K546 IonicContact OD2-NZ 2.65Å; D519-K546 PolarHBondContact OD2-NZ 3.3Å
520	R	95.9	Very high	95.8	Very high	83 Å²	83	32.3 Å²	32.3	31%	0.313	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.7	-173.7	-66.9	174.8	-178.1	-70.4	-13.8	112.4	V516 M517 N518 Y522 D544	V516-R520 WeakPolarHBondContact CA-O 3.29Å; M517-R520 PolarHBondContact N-O 2.84Å; M517-R520 VanDerWaalsContact N-O 3.08Å; M517-R520 PolarHBondContact O-N 3.37Å; M517-R520 VanDerWaalsContact O-O 3.12Å; N518-R520 WeakPolarHBondContact O-CG 3.42Å; N518-R520 PolarHBondContact O-N 2.83Å; N518-R520 VanDerWaalsContact O-N 3.17Å; R520-Y522 HydrophobicContact CB-CE2 3.82Å; R520-D544 IonicContact CZ-OD2 3.31Å; R520-D544 VanDerWaalsContact NH1-CB 3.31Å; R520-D544 VanDerWaalsContact NH1-CG 3.3Å; R520-D544 IonicContact NH1-OD2 2.99Å; R520-D544 PolarHBondContact NH1-OD2 2.89Å; R520-D544 IonicContact NH2-OD2 2.75Å; R520-D544 PolarHBondContact NH2-OD2 3.17Å
521	L	98.1	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.1	178.6	-69	63.3	0	0	0	109.3	A468 H470 Y475 L514 A515 V516 C542 Y543 P545	A468-L521 HydrophobicContact CB-CD2 4.38Å; A468-L521 HydrophobicContact CB-CG 4.43Å; H470-L521 HydrophobicContact CB-CD1 3.87Å; Y475-L521 HydrophobicContact CD1-CD2 3.99Å; Y475-L521 HydrophobicContact CD2-CD2 3.88Å; Y475-L521 HydrophobicContact CG-CD2 3.54Å; L514-L521 HydrophobicContact CD1-CB 4.11Å; L514-L521 HydrophobicContact CD2-CD2 4.08Å; L514-L521 HydrophobicContact CG-CB 4.35Å; A515-L521 CarbonylContact O-C 3.59Å; A515-L521 WeakPolarHBondContact O-CA 3.31Å; V516-L521 HydrophobicContact CG2-CD1 4Å; V516-L521 HydrophobicContact CG2-CG 3.7Å; L521-C542 CarbonylContact O-C 3.46Å; L521-C542 WeakPolarHBondContact O-CA 3.48Å; L521-Y543 HydrophobicContact CD1-CD1 4.42Å; L521-Y543 HydrophobicContact CD2-CD1 4.32Å; L521-Y543 PolarHBondContact N-O 3.04Å; L521-Y543 PolarHBondContact O-N 2.82Å; L521-P545 HydrophobicContact CD1-CG 3.52Å
522	Y	97.8	Very high	94.5	Very high	19 Å²	19	43 Å²	43	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.1	-176.1	-66.2	-102.6	0	0	0	110.3	L514 A515 M517 R520 V540 E541 C542 L553 I573	L514-Y522 WeakPolarHBondContact CA-O 3.46Å; A515-Y522 PolarHBondContact N-O 3.24Å; A515-Y522 PolarHBondContact O-N 3.48Å; M517-Y522 HydrophobicContact CB-CD2 4.36Å; M517-Y522 HydrophobicContact CB-CE2 4.01Å; M517-Y522 HydrophobicContact CE-CE2 4.09Å; M517-Y522 WeakPolarHBondContact O-CE2 3.49Å; R520-Y522 HydrophobicContact CB-CE2 3.82Å; Y522-V540 HydrophobicContact CD1-CG1 4.25Å; Y522-E541 CarbonylContact C-O 3.56Å; Y522-E541 WeakPolarHBondContact CA-O 3.32Å; Y522-C542 HydrophobicContact CD1-CB 4.01Å; Y522-C542 HydrophobicContact CE1-CB 4Å; Y522-C542 VanDerWaalsContact CE1-SG 3.57Å; Y522-C542 VanDerWaalsContact CZ-SG 3.58Å; Y522-L553 HydrophobicContact CD1-CD1 4.18Å; Y522-L553 HydrophobicContact CD1-CD2 4.13Å; Y522-L553 HydrophobicContact CE1-CD1 3.97Å; Y522-L553 HydrophobicContact CE1-CD2 3.99Å; Y522-I573 HydrophobicContact CD2-CD1 4.18Å; Y522-I573 HydrophobicContact CG-CD1 4.06Å
523	A	98.3	Very high	94	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.4	172.9	0	0	0	0	0	109.4	M505 T513 L514 E541 W550	M505-A523 HydrophobicContact SD-CB 3.73Å; T513-A523 WeakPolarHBondContact O-CA 3.29Å; L514-A523 HydrophobicContact CD1-CB 3.95Å; A523-E541 HydrophobicContact CB-CB 4.45Å; A523-E541 PolarHBondContact N-O 2.87Å; A523-E541 PolarHBondContact O-N 3.02Å; A523-W550 HydrophobicContact CB-CH2 3.85Å; A523-W550 HydrophobicContact CB-CZ3 3.67Å
524	I	98.1	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.9	-166.7	-58.3	154.5	0	0	0	110.5	H512 T513 A515 V540 I557 I573 L575 W600	H512-I524 WeakPolarHBondContact CB-O 3.46Å; T513-I524 HydrophobicContact CG2-CB 3.8Å; T513-I524 HydrophobicContact CG2-CD1 4.43Å; T513-I524 HydrophobicContact CG2-CG2 4.45Å; T513-I524 PolarHBondContact N-O 3.18Å; T513-I524 PolarHBondContact O-N 3.02Å; A515-I524 HydrophobicContact CB-CD1 4.25Å; I524-V540 HydrophobicContact CG1-CB 4.49Å; I524-V540 HydrophobicContact CG1-CG1 3.63Å; I524-V540 HydrophobicContact CG1-CG2 4.17Å; I524-V540 HydrophobicContact CG2-CG2 4.12Å; I524-I557 HydrophobicContact CG2-CG2 3.6Å; I524-I573 HydrophobicContact CD1-CD1 4.05Å; I524-I573 HydrophobicContact CD1-CG2 3.91Å; I524-L575 HydrophobicContact CG2-CD1 3.57Å; I524-L575 HydrophobicContact CG2-CD2 4.46Å; I524-W600 HydrophobicContact CD1-CH2 4.21Å; I524-W600 HydrophobicContact CD1-CZ2 4.4Å; I524-W600 HydrophobicContact CG1-CZ2 4.47Å; I524-W600 HydrophobicContact CG2-CH2 3.92Å; I524-W600 HydrophobicContact CG2-CZ2 3.99Å
525	G	97.2	Very high	93.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.			trans	66	-147.8	176.1	0	0	0	0	0	113.7	R509 H512 V537	R509-G525 PolarHBondContact NH1-O 3.47Å; H512-G525 VanDerWaalsContact CB-O 3.27Å; H512-G525 WeakPolarHBondContact CB-O 3.42Å; G525-V537 WeakPolarHBondContact CA-O 3.42Å
526	G	97.3	Very high	93.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.			trans	79.6	-172.2	-169.6	0	0	0	0	0	113.3	A510 I511 V537 R561	A510-G526 CarbonylContact O-C 3.6Å; A510-G526 WeakPolarHBondContact O-CA 3.48Å; I511-G526 WeakPolarHBondContact O-CA 3.36Å; G526-V537 PolarHBondContact O-N 2.94Å; G526-R561 PolarHBondContact N-O 2.99Å
527	N	96.2	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	167.7	176.3	67.8	-13	0	0	0	112.4	Y485 R509 A510 H534 L535 S562 W581	Y485-N527 WeakPolarHBondContact CD1-O 3.34Å; Y485-N527 WeakPolarHBondContact CE1-O 3.42Å; Y485-N527 WeakPolarHBondContact CE1-OD1 3.32Å; Y485-N527 PolarHBondContact OH-ND2 3.05Å; Y485-N527 PolarHBondContact OH-OD1 3.32Å; R509-N527 WeakPolarHBondContact CA-O 3.46Å; A510-N527 PolarHBondContact N-O 2.9Å; A510-N527 PolarHBondContact O-N 3.01Å; A510-N527 PolarHBondContact O-OD1 2.85Å; N527-H534 PolarHBondContact ND2-ND1 2.94Å; N527-L535 WeakPolarHBondContact CA-O 3.31Å; N527-L535 WeakPolarHBondContact CB-O 3.2Å; N527-S562 WeakPolarHBondContact CB-OG 3.44Å; N527-W581 WeakPolarHBondContact ND2-CZ2 3.27Å; N527-W581 PolarHBondContact ND2-NE1 2.67Å
528	H	94	Very high	93.5	Very high	33 Å²	33	53.2 Å²	53.2	15%	0.153	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	174.9	158.9	72.7	72.7	0	0	0	111	Y485 K508 H534 L535	Y485-H528 HydrophobicContact CD1-CB 4Å; Y485-H528 HydrophobicContact CE1-CB 4.48Å; Y485-H528 HydrophobicContact CG-CB 4.25Å; K508-H528 HydrophobicContact CG-CB 4.22Å; K508-H528 VanDerWaalsContact O-CB 3.31Å; K508-H528 WeakPolarHBondContact O-CB 3.44Å; K508-H528 PolarHBondContact O-CD2 3.04Å; H528-H534 CarbonylContact O-C 3.54Å; H528-H534 WeakPolarHBondContact O-CA 3.49Å; H528-L535 PolarHBondContact N-O 3.45Å; H528-L535 PolarHBondContact O-N 3.1Å
529	L	91.5	Very high	93.7	Very high	54 Å²	54	52.4 Å²	52.4	28%	0.283	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.9	171.9	-71.8	171.6	0	0	0	111.9	Y485 S533	Y485-L529 HydrophobicContact CD2-CB 4.47Å; Y485-L529 HydrophobicContact CD2-CD1 4.22Å; Y485-L529 HydrophobicContact CD2-CG 4.18Å; Y485-L529 HydrophobicContact CE2-CB 4.33Å; Y485-L529 HydrophobicContact CE2-CD1 3.73Å; Y485-L529 HydrophobicContact CE2-CG 3.6Å; L529-S533 WeakPolarHBondContact CA-O 3.25Å
530	K	84.9	Confident	93.8	Very high	158 Å²	158	48.5 Å²	48.5	69%	0.687	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	97.1	165.6	-174.3	177.5	-179.6	178.8	0	107.9	S533	K530-S533 PolarHBondContact N-O 3.09Å; K530-S533 PolarHBondContact O-N 2.96Å
531	G	85.4	Confident	93.9	Very high	63 Å²	63	44.5 Å²	44.5	65%	0.649	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	-131.1	-161.7	0	0	0	0	0	109.7
532	F	82	Confident	93.8	Very high	214 Å²	214	44.9 Å²	44.9	94%	0.939	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.5	179.2	-58.2	-72.8	0	0	0	114.5
533	S	87.4	Confident	93.8	Very high	84 Å²	84	44 Å²	44	59%	0.587	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.1	-176.5	-57.5	0	0	0	0	111.8	L529 K530	L529-S533 WeakPolarHBondContact CA-O 3.25Å; K530-S533 PolarHBondContact N-O 3.09Å; K530-S533 PolarHBondContact O-N 2.96Å
534	H	90.6	Very high	93.8	Very high	72 Å²	72	45.4 Å²	45.4	33%	0.333	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.4	166.6	-67.1	-84	0	0	0	110.5	Y485 N527 H528 W581	Y485-H534 PolarHBondContact OH-CE1 2.83Å; Y485-H534 PolarHBondContact OH-ND1 3.15Å; N527-H534 PolarHBondContact ND2-ND1 2.94Å; H528-H534 CarbonylContact O-C 3.54Å; H528-H534 WeakPolarHBondContact O-CA 3.49Å; H534-W581 HydrophobicContact CB-CB 4.06Å; H534-W581 HydrophobicContact CB-CD2 3.41Å; H534-W581 VanDerWaalsContact CB-CD2 3.41Å; H534-W581 HydrophobicContact CB-CE3 3.44Å; H534-W581 VanDerWaalsContact CB-CE3 3.44Å; H534-W581 HydrophobicContact CB-CG 3.69Å; H534-W581 HydrophobicContact CB-CZ3 4.05Å; H534-W581 AromaticContact CD2-CE3 3.61Å; H534-W581 AromaticContact CD2-CH2 3.59Å; H534-W581 AromaticContact CD2-CZ3 3.24Å; H534-W581 WeakPolarHBondContact CD2-CZ3 3.44Å; H534-W581 AromaticContact CG-CD2 3.79Å; H534-W581 AromaticContact CG-CE3 3.61Å; H534-W581 AromaticContact CG-CH2 3.89Å; H534-W581 AromaticContact CG-CZ3 3.66Å; H534-W581 AromaticContact NE2-CH2 3.7Å; H534-W581 AromaticContact NE2-CZ3 3.82Å
535	L	93.4	Very high	93.7	Very high	80 Å²	80	46.4 Å²	46.4	42%	0.419	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.8	176.8	-174.8	65.6	0	0	0	109	N527 H528	N527-L535 WeakPolarHBondContact CA-O 3.31Å; N527-L535 WeakPolarHBondContact CB-O 3.2Å; H528-L535 PolarHBondContact N-O 3.45Å; H528-L535 PolarHBondContact O-N 3.1Å
536	D	96.3	Very high	93.6	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.059	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.6	172.8	-67.2	-50.2	0	0	0	110.5	M538 S580 W581 S582	D536-M538 HydrophobicContact CB-SD 4.25Å; D536-M538 PolarHBondContact O-N 3.07Å; D536-S580 PolarHBondContact OD2-OG 2.87Å; D536-W581 PolarHBondContact OD1-N 3.03Å; D536-W581 PolarHBondContact OD2-N 2.75Å; D536-W581 VanDerWaalsContact OD2-N 3.11Å; D536-S582 VanDerWaalsContact OD2-CB 3.29Å; D536-S582 WeakPolarHBondContact OD2-CB 3.36Å; D536-S582 PolarHBondContact OD2-N 3.28Å; D536-S582 PolarHBondContact OD2-OG 3Å
537	V	96.8	Very high	93.6	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.042	30%	0.3	C	S	.	.			trans	-93.6	93.3	177.4	-167.4	0	0	0	0	110.5	T507 R509 G525 G526 L539	T507-V537 HydrophobicContact CG2-CG1 3.74Å; T507-V537 HydrophobicContact CG2-CG2 4.35Å; R509-V537 HydrophobicContact CB-CG2 4.16Å; R509-V537 VanDerWaalsContact CZ-CG1 3.41Å; R509-V537 VanDerWaalsContact NH1-CG1 3.28Å; G525-V537 WeakPolarHBondContact CA-O 3.42Å; G526-V537 PolarHBondContact O-N 2.94Å; V537-L539 VanDerWaalsContact C-N 3.34Å
538	M	95.8	Very high	93.7	Very high	62 Å²	62	58 Å²	58	31%	0.305	31%	0.313	S	S	.	.			trans	-72	-26.2	-178.1	-58.3	-57.6	-74.6	0	0	113.8	D536 P556 I557 G560	D536-M538 HydrophobicContact CB-SD 4.25Å; D536-M538 PolarHBondContact O-N 3.07Å; M538-P556 HydrophobicContact CB-CB 4.16Å; M538-P556 VanDerWaalsContact O-CA 3.29Å; M538-P556 WeakPolarHBondContact O-CA 3.29Å; M538-P556 WeakPolarHBondContact O-CB 3.43Å; M538-I557 HydrophobicContact CE-CG1 3.99Å; M538-I557 WeakPolarHBondContact CE-O 3.29Å; M538-I557 PolarHBondContact O-N 2.93Å; M538-I557 VanDerWaalsContact O-N 3.12Å; M538-I557 HydrophobicContact SD-CD1 4.33Å; M538-I557 HydrophobicContact SD-CG1 4.02Å; M538-G560 VanDerWaalsContact SD-CA 3.56Å; M538-G560 PolarHBondContact SD-N 3.23Å; M538-G560 VanDerWaalsContact SD-N 3.38Å
539	L	95.6	Very high	93.9	Very high	77 Å²	77	62.4 Å²	62.4	40%	0.403	33%	0.333	S	S	.	.			trans	-73.6	129.4	-178.2	-64.7	176.8	0	0	0	111.2	R509 V537 I552	R509-L539 PolarHBondContact NH1-O 2.83Å; R509-L539 PolarHBondContact NH2-O 2.86Å; V537-L539 VanDerWaalsContact C-N 3.34Å; L539-I552 HydrophobicContact CD2-CG2 4.21Å
540	V	97	Very high	94.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	32%	0.324	C	S	.	.			trans	-93.9	126	171.1	179.9	0	0	0	0	108.9	Y522 I524 L553 I557 W600	Y522-V540 HydrophobicContact CD1-CG1 4.25Å; I524-V540 HydrophobicContact CG1-CB 4.49Å; I524-V540 HydrophobicContact CG1-CG1 3.63Å; I524-V540 HydrophobicContact CG1-CG2 4.17Å; I524-V540 HydrophobicContact CG2-CG2 4.12Å; V540-L553 HydrophobicContact CB-CB 4.16Å; V540-L553 HydrophobicContact CB-CD2 4.31Å; V540-L553 HydrophobicContact CG1-CB 4.46Å; V540-L553 HydrophobicContact CG1-CD1 4.4Å; V540-L553 HydrophobicContact CG1-CD2 3.89Å; V540-L553 HydrophobicContact CG1-CG 4.48Å; V540-L553 PolarHBondContact O-N 3.02Å; V540-I557 HydrophobicContact CG2-CG2 3.81Å; V540-W600 HydrophobicContact CG2-CZ2 4.05Å
541	E	97.4	Very high	94.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.9	177.7	-60.8	-178	-119.2	0	0	109.6	N506 T507 R509 Y522 A523 W550 N551 I552	N506-E541 WeakPolarHBondContact CA-OE2 3.15Å; N506-E541 VanDerWaalsContact CB-OE2 3.24Å; N506-E541 WeakPolarHBondContact CB-OE2 3.2Å; N506-E541 PolarHBondContact N-OE2 2.86Å; N506-E541 PolarHBondContact ND2-OE2 3.27Å; T507-E541 WeakPolarHBondContact CB-OE1 3.21Å; T507-E541 PolarHBondContact N-OE1 2.89Å; T507-E541 PolarHBondContact OG1-OE1 2.88Å; R509-E541 IonicContact CZ-OE1 2.74Å; R509-E541 IonicContact NE-OE1 2.72Å; R509-E541 IonicContact NH2-OE1 3.69Å; R509-E541 PolarHBondContact NH2-OE1 3.21Å; Y522-E541 CarbonylContact C-O 3.56Å; Y522-E541 WeakPolarHBondContact CA-O 3.32Å; A523-E541 HydrophobicContact CB-CB 4.45Å; A523-E541 PolarHBondContact N-O 2.87Å; A523-E541 PolarHBondContact O-N 3.02Å; E541-W550 HydrophobicContact CB-CE3 3.58Å; E541-W550 HydrophobicContact CB-CZ3 3.95Å; E541-N551 CarbonylContact C-O 3.55Å; E541-N551 WeakPolarHBondContact CA-O 3.44Å; E541-I552 HydrophobicContact CG-CG1 4.44Å
542	C	96.6	Very high	95.2	Very high	7 Å²	7	58.7 Å²	58.7	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112.1	-175.6	-176.8	0	0	0	0	110	L521 Y522 N551 L553	L521-C542 CarbonylContact O-C 3.46Å; L521-C542 WeakPolarHBondContact O-CA 3.48Å; Y522-C542 HydrophobicContact CD1-CB 4.01Å; Y522-C542 HydrophobicContact CE1-CB 4Å; Y522-C542 VanDerWaalsContact CE1-SG 3.57Å; Y522-C542 VanDerWaalsContact CZ-SG 3.58Å; C542-N551 PolarHBondContact N-O 2.95Å; C542-N551 PolarHBondContact O-N 2.72Å; C542-L553 HydrophobicContact CB-CD1 3.45Å; C542-L553 VanDerWaalsContact CB-CD1 3.45Å
543	Y	98.4	Very high	95.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.5	179.3	179.5	-112.4	0	0	0	111.3	Y475 L489 Q503 L521 P545 D548 Q549 W550	Y475-Y543 HydrophobicContact CD1-CE1 4.31Å; Y475-Y543 AromaticContact CE1-CE1 3.94Å; Y475-Y543 HydrophobicContact CE1-CE1 3.94Å; L489-Y543 HydrophobicContact CD2-CD1 4.01Å; L489-Y543 HydrophobicContact CD2-CD2 3.78Å; L489-Y543 HydrophobicContact CD2-CE1 3.77Å; L489-Y543 HydrophobicContact CD2-CE2 3.53Å; L489-Y543 HydrophobicContact CD2-CG 4.01Å; Q503-Y543 HydrophobicContact CB-CE2 4.46Å; L521-Y543 HydrophobicContact CD1-CD1 4.42Å; L521-Y543 HydrophobicContact CD2-CD1 4.32Å; L521-Y543 PolarHBondContact N-O 3.04Å; L521-Y543 PolarHBondContact O-N 2.82Å; Y543-P545 HydrophobicContact CD1-CB 4.46Å; Y543-P545 HydrophobicContact CD1-CG 3.83Å; Y543-P545 HydrophobicContact CE1-CB 4Å; Y543-P545 HydrophobicContact CE1-CG 3.87Å; Y543-P545 WeakPolarHBondContact O-CD 3.48Å; Y543-D548 WeakPolarHBondContact CE2-OD1 3.43Å; Y543-D548 PolarHBondContact OH-OD1 3.15Å; Y543-Q549 CarbonylContact C-O 3.59Å; Y543-Q549 WeakPolarHBondContact CA-O 3.41Å; Y543-Q549 WeakPolarHBondContact CD2-O 3.33Å; Y543-W550 AromaticContact CD2-CD1 3.9Å; Y543-W550 HydrophobicContact CD2-CD2 4.04Å; Y543-W550 AromaticContact CD2-CE2 3.74Å; Y543-W550 HydrophobicContact CD2-CG 4.15Å; Y543-W550 HydrophobicContact CD2-CZ2 4.29Å; Y543-W550 AromaticContact CD2-NE1 3.61Å; Y543-W550 HydrophobicContact CG-CD2 4.32Å; Y543-W550 HydrophobicContact CG-CZ2 4.2Å
544	D	97.6	Very high	95.7	Very high	30 Å²	30	55.1 Å²	55.1	16%	0.16	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.7	169.3	-164.8	-46.1	0	0	0	110.2	R520 K546 G547 D548 Q549	R520-D544 IonicContact CZ-OD2 3.31Å; R520-D544 VanDerWaalsContact NH1-CB 3.31Å; R520-D544 VanDerWaalsContact NH1-CG 3.3Å; R520-D544 IonicContact NH1-OD2 2.99Å; R520-D544 PolarHBondContact NH1-OD2 2.89Å; R520-D544 IonicContact NH2-OD2 2.75Å; R520-D544 PolarHBondContact NH2-OD2 3.17Å; D544-K546 PolarHBondContact O-N 3.19Å; D544-K546 WeakPolarHBondContact OD1-CA 3.43Å; D544-K546 WeakPolarHBondContact OD1-CB 3.12Å; D544-K546 PolarHBondContact OD1-N 2.72Å; D544-G547 PolarHBondContact O-N 3.43Å; D544-G547 PolarHBondContact OD1-N 2.72Å; D544-D548 WeakPolarHBondContact O-CA 3.22Å; D544-D548 PolarHBondContact O-N 2.86Å; D544-Q549 PolarHBondContact N-O 3.04Å
545	P	96.6	Very high	95.8	Very high	22 Å²	22	53.6 Å²	53.6	14%	0.143	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.9	178.6	-24.6	37.3	0	0	0	114.7	L521 Y543	L521-P545 HydrophobicContact CD1-CG 3.52Å; Y543-P545 HydrophobicContact CD1-CB 4.46Å; Y543-P545 HydrophobicContact CD1-CG 3.83Å; Y543-P545 HydrophobicContact CE1-CB 4Å; Y543-P545 HydrophobicContact CE1-CG 3.87Å; Y543-P545 WeakPolarHBondContact O-CD 3.48Å
546	K	95.6	Very high	95.8	Very high	154 Å²	154	52.7 Å²	52.7	67%	0.67	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-37.8	177.1	-61.1	167.4	-175.3	159.6	0	110.4	D519 D544	D519-K546 IonicContact OD2-NZ 2.65Å; D519-K546 PolarHBondContact OD2-NZ 3.3Å; D544-K546 PolarHBondContact O-N 3.19Å; D544-K546 WeakPolarHBondContact OD1-CA 3.43Å; D544-K546 WeakPolarHBondContact OD1-CB 3.12Å; D544-K546 PolarHBondContact OD1-N 2.72Å
547	G	96.5	Very high	95.7	Very high	41 Å²	41	52.4 Å²	52.4	42%	0.423	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-17.9	178.7	0	0	0	0	0	115.8	D544	D544-G547 PolarHBondContact O-N 3.43Å; D544-G547 PolarHBondContact OD1-N 2.72Å
548	D	97.9	Very high	95.5	Very high	49 Å²	49	56.1 Å²	56.1	26%	0.262	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	46.3	-169.9	-146.3	-15.5	0	0	0	112.5	K502 Q503 Y543 D544	K502-D548 VanDerWaalsContact CD-OD2 3.23Å; K502-D548 WeakPolarHBondContact CD-OD2 3.45Å; K502-D548 IonicContact NZ-OD2 3.77Å; K502-D548 PolarHBondContact NZ-OD2 3.5Å; Q503-D548 WeakPolarHBondContact CB-O 3.5Å; Q503-D548 WeakPolarHBondContact CB-OD1 3.33Å; Q503-D548 WeakPolarHBondContact CG-O 3.32Å; Q503-D548 PolarHBondContact N-OD1 3.04Å; Y543-D548 WeakPolarHBondContact CE2-OD1 3.43Å; Y543-D548 PolarHBondContact OH-OD1 3.15Å; D544-D548 WeakPolarHBondContact O-CA 3.22Å; D544-D548 PolarHBondContact O-N 2.86Å
549	Q	97.8	Very high	95.3	Very high	124 Å²	124	55.7 Å²	55.7	58%	0.579	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.7	-172.8	-73.6	178.9	7.1	0	0	112.4	Y543 D544	Y543-Q549 CarbonylContact C-O 3.59Å; Y543-Q549 WeakPolarHBondContact CA-O 3.41Å; Y543-Q549 WeakPolarHBondContact CD2-O 3.33Å; D544-Q549 PolarHBondContact N-O 3.04Å
550	W	98.1	Very high	95.2	Very high	22 Å²	22	52.1 Å²	52.1	8%	0.083	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.7	173.4	-70.4	93.7	0	0	0	111.2	L489 Q503 M505 N506 L514 A523 E541 Y543	L489-W550 HydrophobicContact CD1-CZ2 4.17Å; L489-W550 HydrophobicContact CD2-CZ2 3.87Å; L489-W550 HydrophobicContact CG-CZ2 4.42Å; Q503-W550 PolarHBondContact O-NE1 3.06Å; M505-W550 HydrophobicContact CG-CD2 4.03Å; M505-W550 HydrophobicContact CG-CE3 4.32Å; M505-W550 HydrophobicContact CG-CH2 3.67Å; M505-W550 HydrophobicContact CG-CZ2 3.3Å; M505-W550 HydrophobicContact CG-CZ3 4.17Å; M505-W550 HydrophobicContact SD-CH2 4.03Å; M505-W550 HydrophobicContact SD-CZ2 4.18Å; N506-W550 WeakPolarHBondContact ND2-CB 3.47Å; L514-W550 HydrophobicContact CD1-CH2 4.13Å; A523-W550 HydrophobicContact CB-CH2 3.85Å; A523-W550 HydrophobicContact CB-CZ3 3.67Å; E541-W550 HydrophobicContact CB-CE3 3.58Å; E541-W550 HydrophobicContact CB-CZ3 3.95Å; Y543-W550 AromaticContact CD2-CD1 3.9Å; Y543-W550 HydrophobicContact CD2-CD2 4.04Å; Y543-W550 AromaticContact CD2-CE2 3.74Å; Y543-W550 HydrophobicContact CD2-CG 4.15Å; Y543-W550 HydrophobicContact CD2-CZ2 4.29Å; Y543-W550 AromaticContact CD2-NE1 3.61Å; Y543-W550 HydrophobicContact CG-CD2 4.32Å; Y543-W550 HydrophobicContact CG-CZ2 4.2Å
551	N	95.9	Very high	95.1	Very high	85 Å²	85	52.1 Å²	52.1	46%	0.455	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.8	170.8	-65.4	-83.2	0	0	0	109.8	E541 C542	E541-N551 CarbonylContact C-O 3.55Å; E541-N551 WeakPolarHBondContact CA-O 3.44Å; C542-N551 PolarHBondContact N-O 2.95Å; C542-N551 PolarHBondContact O-N 2.72Å
552	I	95.5	Very high	95.1	Very high	90 Å²	90	52.3 Å²	52.3	46%	0.462	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.9	175.7	-58.8	176.4	0	0	0	108.7	L539 E541	L539-I552 HydrophobicContact CD2-CG2 4.21Å; E541-I552 HydrophobicContact CG-CG1 4.44Å
553	L	93.1	Very high	95	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.131	28%	0.277	C	S	.	.			trans	-71.3	137.4	171.6	-92.9	64.4	0	0	0	109.9	Y522 V540 C542 T555 Y593	Y522-L553 HydrophobicContact CD1-CD1 4.18Å; Y522-L553 HydrophobicContact CD1-CD2 4.13Å; Y522-L553 HydrophobicContact CE1-CD1 3.97Å; Y522-L553 HydrophobicContact CE1-CD2 3.99Å; V540-L553 HydrophobicContact CB-CB 4.16Å; V540-L553 HydrophobicContact CB-CD2 4.31Å; V540-L553 HydrophobicContact CG1-CB 4.46Å; V540-L553 HydrophobicContact CG1-CD1 4.4Å; V540-L553 HydrophobicContact CG1-CD2 3.89Å; V540-L553 HydrophobicContact CG1-CG 4.48Å; V540-L553 PolarHBondContact O-N 3.02Å; C542-L553 HydrophobicContact CB-CD1 3.45Å; C542-L553 VanDerWaalsContact CB-CD1 3.45Å; L553-T555 PolarHBondContact O-N 2.98Å; L553-Y593 HydrophobicContact CD2-CE1 4.15Å; L553-Y593 HydrophobicContact CD2-CE2 4.08Å; L553-Y593 WeakPolarHBondContact CD2-OH 3.5Å
554	Q	88.4	Confident	94.9	Very high	198 Å²	198	53 Å²	53	93%	0.925	28%	0.28	S	S	*	.	S	Bend	trans	-65.3	-22.9	177.9	-65.3	-175.9	-4.2	0	0	112.9	P556	Q554-P556 WeakPolarHBondContact O-CD 3.46Å
555	T	91.1	Very high	94.9	Very high	40 Å²	40	51.6 Å²	51.6	25%	0.245	27%	0.273	C	S	.	.	S	Bend	trans	-101.6	107.5	178.4	55.2	0	0	0	0	111.7	L553 G598	L553-T555 PolarHBondContact O-N 2.98Å; T555-G598 WeakPolarHBondContact CG2-O 3.2Å; T555-G598 PolarHBondContact OG1-O 2.91Å
556	P	93.6	Very high	95	Very high	62 Å²	62	51.8 Å²	51.8	40%	0.403	28%	0.275	S	S	.	.			trans	-67.5	165.8	169.9	31	-35.4	0	0	0	111.1	M538 Q554	M538-P556 HydrophobicContact CB-CB 4.16Å; M538-P556 VanDerWaalsContact O-CA 3.29Å; M538-P556 WeakPolarHBondContact O-CA 3.29Å; M538-P556 WeakPolarHBondContact O-CB 3.43Å; Q554-P556 WeakPolarHBondContact O-CD 3.46Å
557	I	95.3	Very high	95.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	25%	0.246	C	C	.	.			trans	-62.8	153.3	168.1	60.8	-177	0	0	0	110.4	I524 M538 V540 E559 L575 I591 W600	I524-I557 HydrophobicContact CG2-CG2 3.6Å; M538-I557 HydrophobicContact CE-CG1 3.99Å; M538-I557 WeakPolarHBondContact CE-O 3.29Å; M538-I557 PolarHBondContact O-N 2.93Å; M538-I557 VanDerWaalsContact O-N 3.12Å; M538-I557 HydrophobicContact SD-CD1 4.33Å; M538-I557 HydrophobicContact SD-CG1 4.02Å; V540-I557 HydrophobicContact CG2-CG2 3.81Å; I557-E559 VanDerWaalsContact C-N 3.34Å; I557-E559 WeakPolarHBondContact CD1-O 3.26Å; I557-E559 WeakPolarHBondContact CG1-O 3.38Å; I557-E559 PolarHBondContact O-N 3.11Å; I557-L575 HydrophobicContact CG2-CD1 4.37Å; I557-I591 HydrophobicContact CB-CD1 4.26Å; I557-W600 HydrophobicContact CG2-CD2 4.2Å; I557-W600 HydrophobicContact CG2-CH2 4.12Å; I557-W600 HydrophobicContact CG2-CZ2 3.67Å
558	L	92.5	Very high	95	Very high	86 Å²	86	45.3 Å²	45.3	45%	0.45	24%	0.241	S	C	.	.	S	Bend	trans	-64.4	-37.8	-177	-59.7	179.4	0	0	0	112.9	I591 W600 E602	L558-I591 HydrophobicContact CD1-CG2 3.99Å; L558-W600 HydrophobicContact CD1-CB 4.37Å; L558-W600 HydrophobicContact CD2-CB 3.98Å; L558-W600 HydrophobicContact CG-CB 3.81Å; L558-E602 HydrophobicContact CD1-CB 4.37Å
559	E	91.7	Very high	94.9	Very high	53 Å²	53	43.9 Å²	43.9	25%	0.248	23%	0.233	C	C	.	.	S	Bend	trans	-144.3	155.3	-178	-60.1	-170.5	120.8	0	0	111.2	I557 R561 K587	I557-E559 VanDerWaalsContact C-N 3.34Å; I557-E559 WeakPolarHBondContact CD1-O 3.26Å; I557-E559 WeakPolarHBondContact CG1-O 3.38Å; I557-E559 PolarHBondContact O-N 3.11Å; E559-R561 PolarHBondContact O-N 3.09Å; E559-K587 IonicContact OE1-NZ 3.76Å; E559-K587 PolarHBondContact OE1-NZ 3.06Å; E559-K587 WeakPolarHBondContact OE2-CD 3.44Å; E559-K587 WeakPolarHBondContact OE2-CE 3.43Å; E559-K587 IonicContact OE2-NZ 2.72Å; E559-K587 PolarHBondContact OE2-NZ 2.86Å
560	G	93.6	Very high	94.5	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	24%	0.235	C	C	.	.			trans	-62.7	127.6	177.1	0	0	0	0	0	112.7	M538 S580	M538-G560 VanDerWaalsContact SD-CA 3.56Å; M538-G560 PolarHBondContact SD-N 3.23Å; M538-G560 VanDerWaalsContact SD-N 3.38Å; G560-S580 WeakPolarHBondContact O-CA 3.48Å; G560-S580 WeakPolarHBondContact O-CB 3.22Å
561	R	95	Very high	94.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.			trans	-138.6	104.7	-178.4	-68.6	-179.5	-177.6	-133.1	-7.2	111.4	G526 E559 P564 L575 G577 S589	G526-R561 PolarHBondContact N-O 2.99Å; E559-R561 PolarHBondContact O-N 3.09Å; R561-P564 HydrophobicContact CB-CB 4.18Å; R561-P564 HydrophobicContact CB-CG 4.09Å; R561-L575 PolarHBondContact NH1-O 3.02Å; R561-G577 WeakPolarHBondContact CD-O 3.23Å; R561-G577 PolarHBondContact NH1-O 2.93Å; R561-S589 PolarHBondContact NH1-O 3.31Å; R561-S589 PolarHBondContact NH2-O 3.36Å; R561-S589 PolarHBondContact NH2-OG 3.16Å
562	S	95.6	Very high	94.2	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.035	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-93.5	128.5	165.2	-60.9	0	0	0	0	110.2	N527 P564 G578 Y579 W581	N527-S562 WeakPolarHBondContact CB-OG 3.44Å; S562-P564 VanDerWaalsContact C-CD 3.48Å; S562-G578 CarbonylContact O-C 3.59Å; S562-G578 VanDerWaalsContact O-CA 3.25Å; S562-G578 WeakPolarHBondContact O-CA 3.38Å; S562-Y579 WeakPolarHBondContact CB-O 3.42Å; S562-Y579 PolarHBondContact N-O 2.61Å; S562-Y579 PolarHBondContact O-N 3.27Å; S562-W581 PolarHBondContact OG-NE1 3.32Å
563	G	94.7	Very high	94.3	Very high	9 Å²	9	40.4 Å²	40.4	9%	0.093	22%	0.222	C	C	.	.	S	Bend	trans	58.2	45.6	-175.4	0	0	0	0	0	114.7	I511 G613 P614	I511-G563 VanDerWaalsContact CG2-CA 3.48Å; I511-G563 VanDerWaalsContact CG2-N 3.3Å; I511-G563 PolarHBondContact O-N 3.21Å; G563-G613 WeakPolarHBondContact O-CA 3.47Å; G563-G613 PolarHBondContact O-N 2.96Å; G563-P614 WeakPolarHBondContact O-CD 3.45Å
564	P	97.4	Very high	94.5	Very high	11 Å²	11	41 Å²	41	7%	0.071	22%	0.223	C	C	.	.			trans	-68.2	144.4	166	31.7	-32.6	0	0	0	109.7	R561 S562 C566 L575	R561-P564 HydrophobicContact CB-CB 4.18Å; R561-P564 HydrophobicContact CB-CG 4.09Å; S562-P564 VanDerWaalsContact C-CD 3.48Å; P564-C566 PolarHBondContact O-N 2.73Å; P564-L575 HydrophobicContact CB-CB 4.09Å; P564-L575 HydrophobicContact CB-CD2 4.46Å; P564-L575 HydrophobicContact CG-CD1 4.49Å; P564-L575 HydrophobicContact CG-CD2 4.24Å
565	G	97.4	Very high	95	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.4	161.1	0	0	0	0	0	108.6	L575 V576 P614	G565-L575 CarbonylContact O-C 3.56Å; G565-L575 WeakPolarHBondContact O-CA 3.32Å; G565-V576 PolarHBondContact N-O 2.84Å; G565-V576 PolarHBondContact O-N 3.16Å; G565-P614 VanDerWaalsContact CA-O 3.31Å; G565-P614 WeakPolarHBondContact CA-O 3.14Å
566	C	97.7	Very high	95.2	Very high	27 Å²	27	29.7 Å²	29.7	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.7	-175.9	-178.3	0	0	0	0	112	T513 P564 Y574 L575 C616	T513-C566 HydrophobicContact CG2-CB 3.75Å; T513-C566 WeakPolarHBondContact OG1-CB 3.36Å; T513-C566 PolarHBondContact OG1-SG 3.21Å; P564-C566 PolarHBondContact O-N 2.73Å; C566-Y574 WeakPolarHBondContact CA-O 3.5Å; C566-L575 HydrophobicContact CB-CD2 3.9Å; C566-C616 VanDerWaalsContact O-O 3.11Å
567	A	97.4	Very high	95.3	Very high	8 Å²	8	26.8 Å²	26.8	7%	0.066	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.6	173.8	0	0	0	0	0	111.5	L325 Y574 C616 T618	L325-A567 HydrophobicContact CD2-CB 3.93Å; A567-Y574 PolarHBondContact N-O 2.88Å; A567-Y574 PolarHBondContact O-N 2.94Å; A567-C616 HydrophobicContact CB-CB 4.2Å; A567-T618 HydrophobicContact CB-CG2 4.44Å
568	V	96.2	Very high	95.3	Very high	51 Å²	51	26.6 Å²	26.6	31%	0.309	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.5	170.7	-175.7	0	0	0	0	108.4	A515 S572 I573 T618	A515-V568 HydrophobicContact CB-CG2 4.25Å; V568-S572 WeakPolarHBondContact CA-O 3.21Å; V568-I573 HydrophobicContact CG2-CG1 4.24Å; V568-T618 WeakPolarHBondContact O-CG2 3.46Å
569	L	94.6	Very high	95.5	Very high	18 Å²	18	25 Å²	25	9%	0.094	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.8	177.7	176.4	61.2	0	0	0	107.6	K323 L325 D571 S572 Y574 T618	K323-L569 HydrophobicContact CB-CD1 3.54Å; K323-L569 HydrophobicContact CD-CD1 4.11Å; L325-L569 HydrophobicContact CD1-CD2 4.46Å; L325-L569 HydrophobicContact CD2-CB 4.08Å; L325-L569 HydrophobicContact CD2-CD2 4.11Å; L325-L569 HydrophobicContact CG-CD2 3.83Å; L569-D571 VanDerWaalsContact C-N 3.34Å; L569-D571 PolarHBondContact O-N 3.45Å; L569-S572 PolarHBondContact N-O 3.4Å; L569-S572 PolarHBondContact O-N 2.95Å; L569-Y574 HydrophobicContact CB-CD2 4.02Å; L569-Y574 HydrophobicContact CB-CE2 3.74Å; L569-Y574 HydrophobicContact CG-CE2 4.46Å; L569-T618 HydrophobicContact CB-CG2 3.76Å; L569-T618 HydrophobicContact CD1-CG2 3.98Å; L569-T618 HydrophobicContact CG-CG2 4.32Å
570	D	90.8	Very high	95.7	Very high	119 Å²	119	22.4 Å²	22.4	64%	0.636	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.5	57.9	174.9	-53	-22.8	0	0	0	112.8	S572	D570-S572 PolarHBondContact O-N 3.32Å; D570-S572 VanDerWaalsContact O-N 3.08Å; D570-S572 PolarHBondContact O-OG 3.3Å
571	D	91.3	Very high	95.7	Very high	112 Å²	112	26.6 Å²	26.6	60%	0.599	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	28	-178.6	-58.8	-41	0	0	0	115.4	L569 P595	L569-D571 VanDerWaalsContact C-N 3.34Å; L569-D571 PolarHBondContact O-N 3.45Å; D571-P595 WeakPolarHBondContact O-CD 3.32Å; D571-P595 WeakPolarHBondContact O-CG 3.3Å
572	S	95.4	Very high	95.5	Very high	17 Å²	17	31 Å²	31	12%	0.119	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.3	175.6	-58.4	0	0	0	0	111.9	V568 L569 D570 Y574 Y593	V568-S572 WeakPolarHBondContact CA-O 3.21Å; L569-S572 PolarHBondContact N-O 3.4Å; L569-S572 PolarHBondContact O-N 2.95Å; D570-S572 PolarHBondContact O-N 3.32Å; D570-S572 VanDerWaalsContact O-N 3.08Å; D570-S572 PolarHBondContact O-OG 3.3Å; S572-Y574 WeakPolarHBondContact O-CD2 3.3Å; S572-Y593 WeakPolarHBondContact CA-O 3.45Å; S572-Y593 WeakPolarHBondContact CB-O 3.44Å
573	I	97.4	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.5	-177.5	-55.1	168.3	0	0	0	109.7	A515 M517 Y522 I524 V568 C592 Y593	A515-I573 HydrophobicContact CB-CD1 3.9Å; A515-I573 HydrophobicContact CB-CG1 4.17Å; A515-I573 HydrophobicContact CB-CG2 3.92Å; M517-I573 HydrophobicContact CB-CD1 4.46Å; M517-I573 HydrophobicContact CE-CD1 3.77Å; M517-I573 HydrophobicContact CE-CG1 4.09Å; M517-I573 HydrophobicContact SD-CD1 4.08Å; M517-I573 HydrophobicContact SD-CG1 3.75Å; Y522-I573 HydrophobicContact CD2-CD1 4.18Å; Y522-I573 HydrophobicContact CG-CD1 4.06Å; I524-I573 HydrophobicContact CD1-CD1 4.05Å; I524-I573 HydrophobicContact CD1-CG2 3.91Å; V568-I573 HydrophobicContact CG2-CG1 4.24Å; I573-C592 CarbonylContact O-C 3.58Å; I573-C592 VanDerWaalsContact O-CA 3.31Å; I573-C592 WeakPolarHBondContact O-CA 3.06Å; I573-Y593 HydrophobicContact CD1-CD1 4.35Å; I573-Y593 PolarHBondContact N-O 3.43Å; I573-Y593 PolarHBondContact O-N 2.96Å
574	Y	97.7	Very high	95.1	Very high	38 Å²	38	38 Å²	38	15%	0.149	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.8	179.8	-66.6	-97.4	0	0	0	111.2	L325 C566 A567 L569 S572 T590 I591 C592 L603	L325-Y574 HydrophobicContact CD1-CD1 3.43Å; L325-Y574 VanDerWaalsContact CD1-CD1 3.43Å; L325-Y574 HydrophobicContact CD1-CD2 4.2Å; L325-Y574 HydrophobicContact CD1-CE1 3.83Å; L325-Y574 HydrophobicContact CD1-CG 3.63Å; L325-Y574 HydrophobicContact CD2-CD2 4.07Å; L325-Y574 HydrophobicContact CD2-CG 4Å; L325-Y574 HydrophobicContact CG-CG 4.46Å; C566-Y574 WeakPolarHBondContact CA-O 3.5Å; A567-Y574 PolarHBondContact N-O 2.88Å; A567-Y574 PolarHBondContact O-N 2.94Å; L569-Y574 HydrophobicContact CB-CD2 4.02Å; L569-Y574 HydrophobicContact CB-CE2 3.74Å; L569-Y574 HydrophobicContact CG-CE2 4.46Å; S572-Y574 WeakPolarHBondContact O-CD2 3.3Å; Y574-T590 HydrophobicContact CD1-CG2 4.2Å; Y574-I591 WeakPolarHBondContact CA-O 3.29Å; Y574-C592 HydrophobicContact CD1-CB 3.71Å; Y574-C592 HydrophobicContact CE1-CB 3.62Å; Y574-C592 VanDerWaalsContact CE1-SG 3.6Å; Y574-C592 HydrophobicContact CG-CB 4.4Å; Y574-C592 VanDerWaalsContact CZ-SG 3.54Å; Y574-L603 HydrophobicContact CD1-CD1 4.4Å; Y574-L603 HydrophobicContact CD1-CD2 4.15Å; Y574-L603 HydrophobicContact CE1-CD1 4.04Å; Y574-L603 HydrophobicContact CE1-CD2 3.73Å
575	L	97.9	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127	170.6	-54.6	-177.7	0	0	0	109.8	T513 I524 I557 R561 P564 G565 C566 T590 I591 W600	T513-L575 HydrophobicContact CG2-CD2 3.73Å; I524-L575 HydrophobicContact CG2-CD1 3.57Å; I524-L575 HydrophobicContact CG2-CD2 4.46Å; I557-L575 HydrophobicContact CG2-CD1 4.37Å; R561-L575 PolarHBondContact NH1-O 3.02Å; P564-L575 HydrophobicContact CB-CB 4.09Å; P564-L575 HydrophobicContact CB-CD2 4.46Å; P564-L575 HydrophobicContact CG-CD1 4.49Å; P564-L575 HydrophobicContact CG-CD2 4.24Å; G565-L575 CarbonylContact O-C 3.56Å; G565-L575 WeakPolarHBondContact O-CA 3.32Å; C566-L575 HydrophobicContact CB-CD2 3.9Å; L575-T590 CarbonylContact O-C 3.48Å; L575-T590 WeakPolarHBondContact O-CA 3.37Å; L575-I591 HydrophobicContact CB-CG1 3.89Å; L575-I591 HydrophobicContact CD1-CD1 4.16Å; L575-I591 HydrophobicContact CD1-CG1 4.25Å; L575-I591 HydrophobicContact CG-CG1 4.39Å; L575-I591 PolarHBondContact N-O 3.49Å; L575-I591 PolarHBondContact O-N 3.46Å; L575-W600 HydrophobicContact CD1-CH2 3.86Å; L575-W600 HydrophobicContact CD1-CZ3 3.87Å; L575-W600 HydrophobicContact CG-CH2 4.1Å; L575-W600 HydrophobicContact CG-CZ3 3.93Å
576	V	97.1	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.2	-177.8	-172.2	0	0	0	0	109.1	L327 W353 G565 T590 V607	L327-V576 HydrophobicContact CD1-CB 3.76Å; L327-V576 HydrophobicContact CD1-CG1 3.61Å; L327-V576 HydrophobicContact CD2-CG1 3.76Å; L327-V576 HydrophobicContact CG-CG1 4.21Å; W353-V576 HydrophobicContact CH2-CG1 4.14Å; W353-V576 HydrophobicContact CH2-CG2 3.98Å; W353-V576 HydrophobicContact CZ2-CB 4.4Å; W353-V576 HydrophobicContact CZ2-CG1 3.7Å; W353-V576 HydrophobicContact CZ2-CG2 3.74Å; G565-V576 PolarHBondContact N-O 2.84Å; G565-V576 PolarHBondContact O-N 3.16Å; V576-T590 HydrophobicContact CG2-CG2 3.96Å; V576-V607 HydrophobicContact CG1-CG2 3.61Å
577	G	95.8	Very high	94.5	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	23%	0.228	C	C	.	.			trans	61.6	-144.1	-178.5	0	0	0	0	0	114.6	R561 K587 S589	R561-G577 WeakPolarHBondContact CD-O 3.23Å; R561-G577 PolarHBondContact NH1-O 2.93Å; G577-K587 WeakPolarHBondContact CA-O 3.29Å; G577-S589 PolarHBondContact N-O 2.92Å
578	G	95.4	Very high	94.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.			trans	101.4	177.4	-170.1	0	0	0	0	0	113	S562 K587 L611	S562-G578 CarbonylContact O-C 3.59Å; S562-G578 VanDerWaalsContact O-CA 3.25Å; S562-G578 WeakPolarHBondContact O-CA 3.38Å; G578-K587 PolarHBondContact O-N 2.84Å; G578-L611 PolarHBondContact N-O 3.27Å
579	Y	95.4	Very high	94.3	Very high	51 Å²	51	40.4 Å²	40.4	20%	0.2	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.4	176.5	-172.9	-100.2	0	0	0	111.3	S562 W581 G584 Y586	S562-Y579 WeakPolarHBondContact CB-O 3.42Å; S562-Y579 PolarHBondContact N-O 2.61Å; S562-Y579 PolarHBondContact O-N 3.27Å; Y579-W581 AromaticContact CD1-CD2 3.88Å; Y579-W581 HydrophobicContact CD1-CD2 3.88Å; Y579-W581 AromaticContact CD1-CE2 3.81Å; Y579-W581 HydrophobicContact CD1-CE3 4.39Å; Y579-W581 HydrophobicContact CD1-CG 4.1Å; Y579-W581 HydrophobicContact CD1-CZ2 4.32Å; Y579-W581 AromaticContact CD1-NE1 3.9Å; Y579-W581 AromaticContact CE1-CD2 3.72Å; Y579-W581 HydrophobicContact CE1-CD2 3.72Å; Y579-W581 AromaticContact CE1-CE3 3.8Å; Y579-W581 HydrophobicContact CE1-CE3 3.8Å; Y579-W581 HydrophobicContact CE1-CG 4.14Å; Y579-W581 HydrophobicContact CE1-CZ2 4.47Å; Y579-W581 HydrophobicContact CE1-CZ3 4.23Å; Y579-G584 WeakPolarHBondContact CE2-O 3.22Å; Y579-G584 VanDerWaalsContact CZ-C 3.47Å; Y579-G584 VanDerWaalsContact OH-CA 3.3Å; Y579-G584 WeakPolarHBondContact OH-CA 3.36Å; Y579-G584 PolarHBondContact OH-O 3.24Å; Y579-Y586 HydrophobicContact CD2-CD1 4.28Å; Y579-Y586 AromaticContact CD2-CD2 3.63Å; Y579-Y586 HydrophobicContact CD2-CD2 3.63Å; Y579-Y586 HydrophobicContact CD2-CE1 4.38Å; Y579-Y586 AromaticContact CD2-CE2 3.74Å; Y579-Y586 HydrophobicContact CD2-CE2 3.74Å; Y579-Y586 AromaticContact CD2-CG 3.9Å; Y579-Y586 HydrophobicContact CD2-CG 3.9Å; Y579-Y586 AromaticContact CE2-CD2 3.76Å; Y579-Y586 HydrophobicContact CE2-CD2 3.76Å; Y579-Y586 AromaticContact CE2-CE2 3.72Å; Y579-Y586 HydrophobicContact CE2-CE2 3.72Å; Y579-Y586 HydrophobicContact CE2-CG 4.47Å
580	S	95.7	Very high	94.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.7	171.1	174.3	0	0	0	0	109.9	D536 G560 S582 M583 G584 A585	D536-S580 PolarHBondContact OD2-OG 2.87Å; G560-S580 WeakPolarHBondContact O-CA 3.48Å; G560-S580 WeakPolarHBondContact O-CB 3.22Å; S580-S582 PolarHBondContact OG-OG 3.15Å; S580-M583 WeakPolarHBondContact OG-CG 3.21Å; S580-M583 PolarHBondContact OG-N 3.41Å; S580-G584 CarbonylContact O-C 3.52Å; S580-G584 PolarHBondContact O-N 2.84Å; S580-G584 WeakPolarHBondContact O-CA 3.42Å; S580-A585 PolarHBondContact N-O 3.39Å; S580-A585 VanDerWaalsContact O-N 3.09Å; S580-A585 PolarHBondContact O-N 3.01Å
581	W	93.8	Very high	94.6	Very high	89 Å²	89	33.9 Å²	33.9	34%	0.337	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-36.6	176.7	-68.1	91.3	0	0	0	112.6	N527 H534 D536 S562 Y579 M583 G584	N527-W581 WeakPolarHBondContact ND2-CZ2 3.27Å; N527-W581 PolarHBondContact ND2-NE1 2.67Å; H534-W581 HydrophobicContact CB-CB 4.06Å; H534-W581 HydrophobicContact CB-CD2 3.41Å; H534-W581 VanDerWaalsContact CB-CD2 3.41Å; H534-W581 HydrophobicContact CB-CE3 3.44Å; H534-W581 VanDerWaalsContact CB-CE3 3.44Å; H534-W581 HydrophobicContact CB-CG 3.69Å; H534-W581 HydrophobicContact CB-CZ3 4.05Å; H534-W581 AromaticContact CD2-CE3 3.61Å; H534-W581 AromaticContact CD2-CH2 3.59Å; H534-W581 AromaticContact CD2-CZ3 3.24Å; H534-W581 WeakPolarHBondContact CD2-CZ3 3.44Å; H534-W581 AromaticContact CG-CD2 3.79Å; H534-W581 AromaticContact CG-CE3 3.61Å; H534-W581 AromaticContact CG-CH2 3.89Å; H534-W581 AromaticContact CG-CZ3 3.66Å; H534-W581 AromaticContact NE2-CH2 3.7Å; H534-W581 AromaticContact NE2-CZ3 3.82Å; D536-W581 PolarHBondContact OD1-N 3.03Å; D536-W581 PolarHBondContact OD2-N 2.75Å; D536-W581 VanDerWaalsContact OD2-N 3.11Å; S562-W581 PolarHBondContact OG-NE1 3.32Å; Y579-W581 AromaticContact CD1-CD2 3.88Å; Y579-W581 HydrophobicContact CD1-CD2 3.88Å; Y579-W581 AromaticContact CD1-CE2 3.81Å; Y579-W581 HydrophobicContact CD1-CE3 4.39Å; Y579-W581 HydrophobicContact CD1-CG 4.1Å; Y579-W581 HydrophobicContact CD1-CZ2 4.32Å; Y579-W581 AromaticContact CD1-NE1 3.9Å; Y579-W581 AromaticContact CE1-CD2 3.72Å; Y579-W581 HydrophobicContact CE1-CD2 3.72Å; Y579-W581 AromaticContact CE1-CE3 3.8Å; Y579-W581 HydrophobicContact CE1-CE3 3.8Å; Y579-W581 HydrophobicContact CE1-CG 4.14Å; Y579-W581 HydrophobicContact CE1-CZ2 4.47Å; Y579-W581 HydrophobicContact CE1-CZ3 4.23Å; W581-M583 VanDerWaalsContact C-N 3.31Å; W581-M583 PolarHBondContact O-N 3.34Å; W581-G584 PolarHBondContact O-N 2.72Å
582	S	90.8	Very high	94.8	Very high	93 Å²	93	28.9 Å²	28.9	65%	0.65	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.5	176.9	51.5	0	0	0	0	113.1	D536 S580	D536-S582 VanDerWaalsContact OD2-CB 3.29Å; D536-S582 WeakPolarHBondContact OD2-CB 3.36Å; D536-S582 PolarHBondContact OD2-N 3.28Å; D536-S582 PolarHBondContact OD2-OG 3Å; S580-S582 PolarHBondContact OG-OG 3.15Å
583	M	90.8	Very high	94.9	Very high	116 Å²	116	29 Å²	29	57%	0.571	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.8	176.4	-57.3	-176.9	76.3	0	0	113.8	S580 W581 A585 K587	S580-M583 WeakPolarHBondContact OG-CG 3.21Å; S580-M583 PolarHBondContact OG-N 3.41Å; W581-M583 VanDerWaalsContact C-N 3.31Å; W581-M583 PolarHBondContact O-N 3.34Å; M583-A585 HydrophobicContact CB-CB 4.23Å; M583-A585 PolarHBondContact O-N 3.1Å; M583-K587 PolarHBondContact SD-NZ 3.37Å
584	G	92.1	Very high	94.6	Very high	44 Å²	44	29.9 Å²	29.9	45%	0.454	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	18.9	-175.4	0	0	0	0	0	114.7	Y579 S580 W581	Y579-G584 WeakPolarHBondContact CE2-O 3.22Å; Y579-G584 VanDerWaalsContact CZ-C 3.47Å; Y579-G584 VanDerWaalsContact OH-CA 3.3Å; Y579-G584 WeakPolarHBondContact OH-CA 3.36Å; Y579-G584 PolarHBondContact OH-O 3.24Å; S580-G584 CarbonylContact O-C 3.52Å; S580-G584 PolarHBondContact O-N 2.84Å; S580-G584 WeakPolarHBondContact O-CA 3.42Å; W581-G584 PolarHBondContact O-N 2.72Å
585	A	92.1	Very high	94.1	Very high	36 Å²	36	29.6 Å²	29.6	30%	0.298	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.9	-161.8	0	0	0	0	0	113.6	S580 M583	S580-A585 PolarHBondContact N-O 3.39Å; S580-A585 VanDerWaalsContact O-N 3.09Å; S580-A585 PolarHBondContact O-N 3.01Å; M583-A585 HydrophobicContact CB-CB 4.23Å; M583-A585 PolarHBondContact O-N 3.1Å
586	Y	93.8	Very high	93.6	Very high	52 Å²	52	38.4 Å²	38.4	20%	0.204	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	147.4	165.9	-66.5	-107.6	0	0	0	109.4	L331 P333 Y579 A612	L331-Y586 VanDerWaalsContact O-CE1 3.31Å; L331-Y586 WeakPolarHBondContact O-CE1 3.2Å; P333-Y586 HydrophobicContact CB-CD2 3.8Å; P333-Y586 HydrophobicContact CB-CE2 4Å; P333-Y586 HydrophobicContact CB-CG 4.3Å; Y579-Y586 HydrophobicContact CD2-CD1 4.28Å; Y579-Y586 AromaticContact CD2-CD2 3.63Å; Y579-Y586 HydrophobicContact CD2-CD2 3.63Å; Y579-Y586 HydrophobicContact CD2-CE1 4.38Å; Y579-Y586 AromaticContact CD2-CE2 3.74Å; Y579-Y586 HydrophobicContact CD2-CE2 3.74Å; Y579-Y586 AromaticContact CD2-CG 3.9Å; Y579-Y586 HydrophobicContact CD2-CG 3.9Å; Y579-Y586 AromaticContact CE2-CD2 3.76Å; Y579-Y586 HydrophobicContact CE2-CD2 3.76Å; Y579-Y586 AromaticContact CE2-CE2 3.72Å; Y579-Y586 HydrophobicContact CE2-CE2 3.72Å; Y579-Y586 HydrophobicContact CE2-CG 4.47Å; Y586-A612 HydrophobicContact CD1-CB 3.66Å; Y586-A612 HydrophobicContact CE1-CB 3.58Å
587	K	94.3	Very high	93.1	Very high	19 Å²	19	45.6 Å²	45.6	8%	0.083	24%	0.242	C	C	.	.			trans	-105.5	138.7	-179.8	-61.2	-63.6	-178.3	167.3	0	110.8	E559 G577 G578 M583 P610 L611	E559-K587 IonicContact OE1-NZ 3.76Å; E559-K587 PolarHBondContact OE1-NZ 3.06Å; E559-K587 WeakPolarHBondContact OE2-CD 3.44Å; E559-K587 WeakPolarHBondContact OE2-CE 3.43Å; E559-K587 IonicContact OE2-NZ 2.72Å; E559-K587 PolarHBondContact OE2-NZ 2.86Å; G577-K587 WeakPolarHBondContact CA-O 3.29Å; G578-K587 PolarHBondContact O-N 2.84Å; M583-K587 PolarHBondContact SD-NZ 3.37Å; K587-P610 VanDerWaalsContact C-CB 3.48Å; K587-P610 WeakPolarHBondContact O-CB 3.37Å; K587-P610 WeakPolarHBondContact O-CA 3.44Å; K587-L611 PolarHBondContact O-N 3.37Å
588	S	93.1	Very high	92.8	Very high	35 Å²	35	46.7 Å²	46.7	25%	0.245	25%	0.253	C	S	.	.			trans	-99.3	-24.7	170.6	48.9	0	0	0	0	112.3	D606 V607	S588-D606 VanDerWaalsContact C-OD1 3.29Å; S588-D606 VanDerWaalsContact CB-OD1 3.22Å; S588-D606 WeakPolarHBondContact CB-OD1 2.9Å; S588-D606 PolarHBondContact OG-OD1 2.96Å; S588-V607 PolarHBondContact O-N 2.86Å; S588-V607 WeakPolarHBondContact O-CG2 3.49Å; S588-V607 WeakPolarHBondContact O-CB 3.22Å; S588-V607 WeakPolarHBondContact CB-O 3.34Å; S588-V607 VanDerWaalsContact O-CG2 3.31Å
589	S	94.6	Very high	92.7	Very high	7 Å²	7	49.3 Å²	49.3	5%	0.049	27%	0.27	C	S	.	.			trans	-82.4	158.7	-168.1	74.6	0	0	0	0	113.8	R561 G577 E602 D606	R561-S589 PolarHBondContact NH1-O 3.31Å; R561-S589 PolarHBondContact NH2-O 3.36Å; R561-S589 PolarHBondContact NH2-OG 3.16Å; G577-S589 PolarHBondContact N-O 2.92Å; S589-E602 WeakPolarHBondContact CB-OE1 3.38Å; S589-E602 PolarHBondContact OG-OE1 3.16Å; S589-D606 VanDerWaalsContact CA-OD1 3.29Å; S589-D606 WeakPolarHBondContact CA-OD1 3.31Å; S589-D606 WeakPolarHBondContact CB-OD1 3.06Å; S589-D606 PolarHBondContact N-OD1 3.3Å; S589-D606 VanDerWaalsContact N-OD1 3.17Å
590	T	96.4	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.6	177.7	-62	0	0	0	0	109.6	W353 Y574 L575 V576 L603	W353-T590 PolarHBondContact NE1-OG1 3.36Å; Y574-T590 HydrophobicContact CD1-CG2 4.2Å; L575-T590 CarbonylContact O-C 3.48Å; L575-T590 WeakPolarHBondContact O-CA 3.37Å; V576-T590 HydrophobicContact CG2-CG2 3.96Å; T590-L603 PolarHBondContact O-N 2.81Å; T590-L603 HydrophobicContact CG2-CD2 4.11Å; T590-L603 HydrophobicContact CG2-CB 4.22Å
591	I	96.4	Very high	92.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.1	171.4	65	174.1	0	0	0	110.3	I557 L558 Y574 L575 W600 T601 E602	I557-I591 HydrophobicContact CB-CD1 4.26Å; L558-I591 HydrophobicContact CD1-CG2 3.99Å; Y574-I591 WeakPolarHBondContact CA-O 3.29Å; L575-I591 HydrophobicContact CB-CG1 3.89Å; L575-I591 HydrophobicContact CD1-CD1 4.16Å; L575-I591 HydrophobicContact CD1-CG1 4.25Å; L575-I591 HydrophobicContact CG-CG1 4.39Å; L575-I591 PolarHBondContact N-O 3.49Å; L575-I591 PolarHBondContact O-N 3.46Å; I591-W600 HydrophobicContact CB-CE3 4.36Å; I591-W600 HydrophobicContact CD1-CE3 3.87Å; I591-W600 HydrophobicContact CD1-CZ3 4.2Å; I591-W600 HydrophobicContact CG1-CE3 3.96Å; I591-W600 HydrophobicContact CG1-CZ3 4.1Å; I591-T601 CarbonylContact C-O 3.6Å; I591-T601 WeakPolarHBondContact CA-O 3.28Å; I591-E602 HydrophobicContact CG2-CB 4.24Å; I591-E602 HydrophobicContact CG2-CG 4.34Å
592	C	96.1	Very high	92.7	Very high	7 Å²	7	52 Å²	52	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.2	-178.3	175.9	0	0	0	0	110.3	I573 Y574 W600 T601 L603	I573-C592 CarbonylContact O-C 3.58Å; I573-C592 VanDerWaalsContact O-CA 3.31Å; I573-C592 WeakPolarHBondContact O-CA 3.06Å; Y574-C592 HydrophobicContact CD1-CB 3.71Å; Y574-C592 HydrophobicContact CE1-CB 3.62Å; Y574-C592 VanDerWaalsContact CE1-SG 3.6Å; Y574-C592 HydrophobicContact CG-CB 4.4Å; Y574-C592 VanDerWaalsContact CZ-SG 3.54Å; C592-W600 WeakPolarHBondContact O-CA 3.39Å; C592-W600 VanDerWaalsContact O-CA 3.29Å; C592-W600 CarbonylContact O-C 3.6Å; C592-T601 PolarHBondContact N-O 3.49Å; C592-T601 PolarHBondContact O-N 3.17Å; C592-L603 HydrophobicContact CB-CD1 3.45Å; C592-L603 VanDerWaalsContact CB-CD1 3.45Å
593	Y	96.4	Very high	92.9	Very high	20 Å²	20	49 Å²	49	8%	0.078	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.3	166.7	-179.3	-109.4	0	0	0	109.9	M517 L553 S572 I573 P595 T599 W600	M517-Y593 HydrophobicContact CE-CD1 3.97Å; M517-Y593 HydrophobicContact CE-CE1 3.94Å; L553-Y593 HydrophobicContact CD2-CE1 4.15Å; L553-Y593 HydrophobicContact CD2-CE2 4.08Å; L553-Y593 WeakPolarHBondContact CD2-OH 3.5Å; S572-Y593 WeakPolarHBondContact CA-O 3.45Å; S572-Y593 WeakPolarHBondContact CB-O 3.44Å; I573-Y593 HydrophobicContact CD1-CD1 4.35Å; I573-Y593 PolarHBondContact N-O 3.43Å; I573-Y593 PolarHBondContact O-N 2.96Å; Y593-P595 HydrophobicContact CE1-CB 4.11Å; Y593-T599 WeakPolarHBondContact CD2-O 3.26Å; Y593-W600 AromaticContact CD2-NE1 3.63Å; Y593-W600 HydrophobicContact CG-CZ2 4.1Å; Y593-W600 HydrophobicContact CG-CD2 4.35Å; Y593-W600 HydrophobicContact CD2-CZ2 4.3Å; Y593-W600 HydrophobicContact CD2-CG 4.12Å; Y593-W600 AromaticContact CD2-CE2 3.77Å; Y593-W600 HydrophobicContact CD2-CD2 4.09Å; Y593-W600 AromaticContact CD2-CD1 3.85Å
594	C	91.8	Very high	92.9	Very high	17 Å²	17	50.1 Å²	50.1	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.6	174	177.8	0	0	0	0	108.8	E596 K597 G598 T599	C594-E596 VanDerWaalsContact C-N 3.31Å; C594-E596 PolarHBondContact O-N 3.47Å; C594-K597 HydrophobicContact CB-CB 4.29Å; C594-K597 HydrophobicContact CB-CD 4.27Å; C594-K597 HydrophobicContact CB-CG 4.47Å; C594-K597 PolarHBondContact O-N 2.73Å; C594-G598 PolarHBondContact O-N 3.2Å; C594-T599 PolarHBondContact O-N 2.95Å; C594-T599 PolarHBondContact N-O 3.12Å; C594-T599 VanDerWaalsContact N-O 3.13Å
595	P	86.3	Confident	92.6	Very high	33 Å²	33	49.1 Å²	49.1	21%	0.214	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31	-176.4	26.2	-34.6	0	0	0	113.2	M517 D571 Y593 K597 G598	M517-P595 HydrophobicContact CE-CB 3.72Å; M517-P595 HydrophobicContact CE-CG 3.8Å; M517-P595 HydrophobicContact SD-CB 4.47Å; M517-P595 HydrophobicContact SD-CG 3.88Å; D571-P595 WeakPolarHBondContact O-CD 3.32Å; D571-P595 WeakPolarHBondContact O-CG 3.3Å; Y593-P595 HydrophobicContact CE1-CB 4.11Å; P595-K597 VanDerWaalsContact C-N 3.3Å; P595-K597 PolarHBondContact O-N 3.34Å; P595-G598 PolarHBondContact O-N 3.33Å
596	E	86.8	Confident	92.5	Very high	184 Å²	184	52 Å²	52	86%	0.86	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-38.6	176.6	-59.6	-170.4	145.3	0	0	112.4	C594	C594-E596 VanDerWaalsContact C-N 3.31Å; C594-E596 PolarHBondContact O-N 3.47Å
597	K	87.8	Confident	92.4	Very high	152 Å²	152	49.8 Å²	49.8	66%	0.661	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-19	177.5	-63.4	173.4	-173.5	169.3	0	112.1	C594 P595 T599	C594-K597 HydrophobicContact CB-CB 4.29Å; C594-K597 HydrophobicContact CB-CD 4.27Å; C594-K597 HydrophobicContact CB-CG 4.47Å; C594-K597 PolarHBondContact O-N 2.73Å; P595-K597 VanDerWaalsContact C-N 3.3Å; P595-K597 PolarHBondContact O-N 3.34Å; K597-T599 WeakPolarHBondContact CB-OG1 3.25Å; K597-T599 PolarHBondContact O-N 3.5Å
598	G	89.1	Confident	91.7	Very high	24 Å²	24	53.1 Å²	53.1	25%	0.247	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	22.2	-173.9	0	0	0	0	0	113.7	T555 C594 P595	T555-G598 WeakPolarHBondContact CG2-O 3.2Å; T555-G598 PolarHBondContact OG1-O 2.91Å; C594-G598 PolarHBondContact O-N 3.2Å; P595-G598 PolarHBondContact O-N 3.33Å
599	T	92.8	Very high	91.2	Very high	56 Å²	56	56.1 Å²	56.1	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155	-172.3	53.3	0	0	0	0	113.3	Y593 C594 K597	Y593-T599 WeakPolarHBondContact CD2-O 3.26Å; C594-T599 PolarHBondContact O-N 2.95Å; C594-T599 PolarHBondContact N-O 3.12Å; C594-T599 VanDerWaalsContact N-O 3.13Å; K597-T599 WeakPolarHBondContact CB-OG1 3.25Å; K597-T599 PolarHBondContact O-N 3.5Å
600	W	95.7	Very high	90.9	Very high	16 Å²	16	57.6 Å²	57.6	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.2	167.1	-69.1	91.7	0	0	0	110.4	I524 V540 I557 L558 L575 I591 C592 Y593	I524-W600 HydrophobicContact CD1-CH2 4.21Å; I524-W600 HydrophobicContact CD1-CZ2 4.4Å; I524-W600 HydrophobicContact CG1-CZ2 4.47Å; I524-W600 HydrophobicContact CG2-CH2 3.92Å; I524-W600 HydrophobicContact CG2-CZ2 3.99Å; V540-W600 HydrophobicContact CG2-CZ2 4.05Å; I557-W600 HydrophobicContact CG2-CD2 4.2Å; I557-W600 HydrophobicContact CG2-CH2 4.12Å; I557-W600 HydrophobicContact CG2-CZ2 3.67Å; L558-W600 HydrophobicContact CD1-CB 4.37Å; L558-W600 HydrophobicContact CD2-CB 3.98Å; L558-W600 HydrophobicContact CG-CB 3.81Å; L575-W600 HydrophobicContact CD1-CH2 3.86Å; L575-W600 HydrophobicContact CD1-CZ3 3.87Å; L575-W600 HydrophobicContact CG-CH2 4.1Å; L575-W600 HydrophobicContact CG-CZ3 3.93Å; I591-W600 HydrophobicContact CB-CE3 4.36Å; I591-W600 HydrophobicContact CD1-CE3 3.87Å; I591-W600 HydrophobicContact CD1-CZ3 4.2Å; I591-W600 HydrophobicContact CG1-CE3 3.96Å; I591-W600 HydrophobicContact CG1-CZ3 4.1Å; C592-W600 WeakPolarHBondContact O-CA 3.39Å; C592-W600 VanDerWaalsContact O-CA 3.29Å; C592-W600 CarbonylContact O-C 3.6Å; Y593-W600 AromaticContact CD2-NE1 3.63Å; Y593-W600 HydrophobicContact CG-CZ2 4.1Å; Y593-W600 HydrophobicContact CG-CD2 4.35Å; Y593-W600 HydrophobicContact CD2-CZ2 4.3Å; Y593-W600 HydrophobicContact CD2-CG 4.12Å; Y593-W600 AromaticContact CD2-CE2 3.77Å; Y593-W600 HydrophobicContact CD2-CD2 4.09Å; Y593-W600 AromaticContact CD2-CD1 3.85Å
601	T	95.2	Very high	90.7	Very high	64 Å²	64	57.8 Å²	57.8	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.7	175.6	52.6	0	0	0	0	110.6	I591 C592	I591-T601 CarbonylContact C-O 3.6Å; I591-T601 WeakPolarHBondContact CA-O 3.28Å; C592-T601 PolarHBondContact N-O 3.49Å; C592-T601 PolarHBondContact O-N 3.17Å
602	E	95	Very high	90.5	Very high	115 Å²	115	58.2 Å²	58.2	54%	0.537	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141	171	-169.5	159.1	-142.2	0	0	110.7	L558 S589 I591	L558-E602 HydrophobicContact CD1-CB 4.37Å; S589-E602 WeakPolarHBondContact CB-OE1 3.38Å; S589-E602 PolarHBondContact OG-OE1 3.16Å; I591-E602 HydrophobicContact CG2-CB 4.24Å; I591-E602 HydrophobicContact CG2-CG 4.34Å
603	L	93.8	Very high	90.4	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.5	175	-93.5	70.9	0	0	0	110.2	Y346 Y574 T590 C592	Y346-L603 HydrophobicContact CD1-CD2 4.48Å; Y346-L603 HydrophobicContact CE1-CD2 3.86Å; Y574-L603 HydrophobicContact CD1-CD1 4.4Å; Y574-L603 HydrophobicContact CD1-CD2 4.15Å; Y574-L603 HydrophobicContact CE1-CD1 4.04Å; Y574-L603 HydrophobicContact CE1-CD2 3.73Å; T590-L603 PolarHBondContact O-N 2.81Å; T590-L603 HydrophobicContact CG2-CD2 4.11Å; T590-L603 HydrophobicContact CG2-CB 4.22Å; C592-L603 HydrophobicContact CB-CD1 3.45Å; C592-L603 VanDerWaalsContact CB-CD1 3.45Å
604	E	90.9	Very high	90.3	Very high	139 Å²	139	57.7 Å²	57.7	65%	0.65	32%	0.32	S	S	*	.	S	Bend	trans	-64.4	136	169.6	-66.3	-179.9	-179.5	0	0	110.8	Y346 K351	Y346-E604 VanDerWaalsContact CE2-O 3.27Å; Y346-E604 WeakPolarHBondContact CE2-O 3.35Å; Y346-E604 PolarHBondContact OH-O 2.89Å; K351-E604 HydrophobicContact CB-CB 3.9Å; K351-E604 HydrophobicContact CG-CB 4.24Å
605	G	86.3	Confident	90.6	Very high	24 Å²	24	57.4 Å²	57.4	25%	0.247	32%	0.319	C	S	.	.			trans	100.9	99.1	179.3	0	0	0	0	0	113.1	K351 W353	K351-G605 WeakPolarHBondContact O-CA 3.49Å; W353-G605 VanDerWaalsContact CD1-O 3.28Å; W353-G605 PolarHBondContact NE1-O 3.46Å
606	D	90.2	Very high	91.1	Very high	96 Å²	96	56.5 Å²	56.5	51%	0.513	31%	0.313	S	S	.	.			trans	-68.8	150.3	170.2	-81.7	-64.6	0	0	0	112.5	S588 S589	S588-D606 VanDerWaalsContact C-OD1 3.29Å; S588-D606 VanDerWaalsContact CB-OD1 3.22Å; S588-D606 WeakPolarHBondContact CB-OD1 2.9Å; S588-D606 PolarHBondContact OG-OD1 2.96Å; S589-D606 VanDerWaalsContact CA-OD1 3.29Å; S589-D606 WeakPolarHBondContact CA-OD1 3.31Å; S589-D606 WeakPolarHBondContact CB-OD1 3.06Å; S589-D606 PolarHBondContact N-OD1 3.3Å; S589-D606 VanDerWaalsContact N-OD1 3.17Å
607	V	91	Very high	91.6	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.03	28%	0.276	C	S	.	.			trans	-66.7	136.8	161.8	-175.7	0	0	0	0	108.3	L327 Q344 W353 V576 S588 E609 L611	L327-V607 HydrophobicContact CD2-CB 4.42Å; L327-V607 HydrophobicContact CD2-CG1 3.77Å; L327-V607 HydrophobicContact CD2-CG2 3.75Å; Q344-V607 VanDerWaalsContact NE2-CG1 3.33Å; W353-V607 HydrophobicContact CD2-CG2 3.93Å; W353-V607 HydrophobicContact CG-CB 4.45Å; W353-V607 HydrophobicContact CG-CG2 3.89Å; W353-V607 HydrophobicContact CZ2-CG2 4.45Å; V576-V607 HydrophobicContact CG1-CG2 3.61Å; S588-V607 PolarHBondContact O-N 2.86Å; S588-V607 WeakPolarHBondContact O-CG2 3.49Å; S588-V607 WeakPolarHBondContact O-CB 3.22Å; S588-V607 WeakPolarHBondContact CB-O 3.34Å; S588-V607 VanDerWaalsContact O-CG2 3.31Å; V607-E609 VanDerWaalsContact CG1-O 3.32Å; V607-E609 WeakPolarHBondContact CG1-O 3.4Å; V607-E609 PolarHBondContact O-N 3.46Å; V607-E609 VanDerWaalsContact O-N 3.11Å; V607-L611 HydrophobicContact CG1-CD1 4.23Å
608	A	79.1	Confident	92	Very high	90 Å²	90	42.6 Å²	42.6	74%	0.744	25%	0.254	S	S	*	.	S	Bend	trans	-56	-32.5	-172.9	0	0	0	0	0	114.1
609	E	82.8	Confident	92.2	Very high	97 Å²	97	41.6 Å²	41.6	45%	0.453	24%	0.243	S	C	.	.	S	Bend	trans	-124.3	137.8	170.3	-63.7	-176.2	155.1	0	0	109.4	V607	V607-E609 VanDerWaalsContact CG1-O 3.32Å; V607-E609 WeakPolarHBondContact CG1-O 3.4Å; V607-E609 PolarHBondContact O-N 3.46Å; V607-E609 VanDerWaalsContact O-N 3.11Å
610	P	89	Confident	92.2	Very high	39 Å²	39	40.9 Å²	40.9	25%	0.253	24%	0.236	S	C	.	.			trans	-74.9	134.7	174.8	32.5	-35.2	0	0	0	110.1	P333 K587	P333-P610 WeakPolarHBondContact CD-O 3.48Å; P333-P610 HydrophobicContact CG-CG 4.01Å; K587-P610 VanDerWaalsContact C-CB 3.48Å; K587-P610 WeakPolarHBondContact O-CB 3.37Å; K587-P610 WeakPolarHBondContact O-CA 3.44Å
611	L	92.3	Very high	91.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	24%	0.236	C	C	.	.			trans	-136.2	142.1	-166.6	-67.6	161	0	0	0	111.5	L327 L331 P332 G578 K587 V607 P614	L327-L611 HydrophobicContact CD2-CD1 4.03Å; L331-L611 WeakPolarHBondContact O-CA 3.49Å; P332-L611 HydrophobicContact CB-CD2 3.95Å; P332-L611 HydrophobicContact CG-CD2 4.5Å; G578-L611 PolarHBondContact N-O 3.27Å; K587-L611 PolarHBondContact O-N 3.37Å; V607-L611 HydrophobicContact CG1-CD1 4.23Å; L611-P614 HydrophobicContact CB-CG 4.36Å
612	A	92.8	Very high	91.3	Very high	10 Å²	10	38.9 Å²	38.9	8%	0.083	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-117.4	142.3	171.1	0	0	0	0	0	111.6	L331 Y586	L331-A612 VanDerWaalsContact CB-O 3.31Å; L331-A612 WeakPolarHBondContact CB-O 3.4Å; L331-A612 PolarHBondContact N-O 3.11Å; L331-A612 PolarHBondContact O-N 3.15Å; Y586-A612 HydrophobicContact CD1-CB 3.66Å; Y586-A612 HydrophobicContact CE1-CB 3.58Å
613	G	92.4	Very high	90	Very high	7 Å²	7	36.7 Å²	36.7	7%	0.072	22%	0.223	C	C	.	.	S	Bend	trans	61.3	30.9	-172	0	0	0	0	0	117	H365 G563	H365-G613 PolarHBondContact N-O 3Å; H365-G613 VanDerWaalsContact N-O 3.09Å; G563-G613 WeakPolarHBondContact O-CA 3.47Å; G563-G613 PolarHBondContact O-N 2.96Å
614	P	95.7	Very high	88.5	Confident	9 Å²	9	37.6 Å²	37.6	6%	0.058	23%	0.232	C	C	.	.			trans	-72.5	158.3	163.4	36.1	-35.8	0	0	0	110	L327 V328 G329 G563 G565 L611	L327-P614 HydrophobicContact CD1-CB 3.65Å; L327-P614 HydrophobicContact CD1-CG 3.67Å; L327-P614 HydrophobicContact CG-CB 4.01Å; L327-P614 HydrophobicContact CG-CG 4.4Å; V328-P614 WeakPolarHBondContact O-CA 3.5Å; G329-P614 WeakPolarHBondContact O-CB 3.5Å; G563-P614 WeakPolarHBondContact O-CD 3.45Å; G565-P614 VanDerWaalsContact CA-O 3.31Å; G565-P614 WeakPolarHBondContact CA-O 3.14Å; L611-P614 HydrophobicContact CB-CG 4.36Å
615	A	97.4	Very high	86.9	Confident	12 Å²	12	32.1 Å²	32.1	10%	0.099	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.1	163.9	0	0	0	0	0	110.1	L327 V328 V368	L327-A615 WeakPolarHBondContact CA-O 3.36Å; V328-A615 HydrophobicContact CB-CB 4.39Å; V328-A615 PolarHBondContact N-O 3.3Å; V328-A615 PolarHBondContact O-N 3.43Å; V368-A615 HydrophobicContact CB-CB 3.83Å; V368-A615 HydrophobicContact CG2-CB 3.47Å; V368-A615 VanDerWaalsContact CG2-CB 3.47Å
616	C	97.2	Very high	85	Confident	13 Å²	13	33.9 Å²	33.9	9%	0.088	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.2	169.7	-169.7	0	0	0	0	109.1	L326 L327 C566 A567	L326-C616 CarbonylContact O-C 3.52Å; L326-C616 VanDerWaalsContact O-CA 3.22Å; L326-C616 WeakPolarHBondContact O-CA 3.34Å; L326-C616 PolarHBondContact O-SG 3.31Å; L327-C616 HydrophobicContact CD1-CB 4.37Å; C566-C616 VanDerWaalsContact O-O 3.11Å; A567-C616 HydrophobicContact CB-CB 4.2Å
617	V	97.3	Very high	82.6	Confident	14 Å²	14	36.5 Å²	36.5	9%	0.085	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.4	-175.3	69.5	0	0	0	0	109.9	L326 V368 E370 L375	L326-V617 HydrophobicContact CB-CG1 3.96Å; L326-V617 PolarHBondContact N-O 3.43Å; L326-V617 PolarHBondContact O-N 3.08Å; V368-V617 HydrophobicContact CG1-CB 4.43Å; V368-V617 HydrophobicContact CG1-CG1 4.11Å; E370-V617 HydrophobicContact CB-CG2 3.78Å; L375-V617 HydrophobicContact CD1-CG1 4.03Å; L375-V617 HydrophobicContact CD2-CG1 3.82Å; L375-V617 HydrophobicContact CD2-CG2 4.12Å
618	T	96	Very high	79.9	Confident	31 Å²	31	40.2 Å²	40.2	19%	0.19	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.2	169.9	50	0	0	0	0	111.2	M324 L325 A567 V568 L569	M324-T618 WeakPolarHBondContact O-CA 3.46Å; L325-T618 HydrophobicContact CD2-CG2 4.04Å; A567-T618 HydrophobicContact CB-CG2 4.44Å; V568-T618 WeakPolarHBondContact O-CG2 3.46Å; L569-T618 HydrophobicContact CB-CG2 3.76Å; L569-T618 HydrophobicContact CD1-CG2 3.98Å; L569-T618 HydrophobicContact CG-CG2 4.32Å
619	V	94.1	Very high	77.6	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.2	173.2	93.3	0	0	0	0	110.4	K323 M324 L326 N373 L375 P400 L621	K323-V619 CarbonylContact C-O 3.34Å; K323-V619 WeakPolarHBondContact CA-O 3.24Å; M324-V619 PolarHBondContact N-O 3Å; M324-V619 PolarHBondContact O-N 3.04Å; L326-V619 HydrophobicContact CD1-CB 4.42Å; L326-V619 HydrophobicContact CD1-CG1 3.57Å; L326-V619 HydrophobicContact CD2-CB 4.23Å; L326-V619 HydrophobicContact CD2-CG1 3.59Å; L326-V619 HydrophobicContact CG-CG1 4.24Å; N373-V619 WeakPolarHBondContact OD1-CG2 3.35Å; L375-V619 HydrophobicContact CD2-CB 4.36Å; L375-V619 HydrophobicContact CD2-CG2 3.98Å; L375-V619 HydrophobicContact CG-CG2 4.41Å; P400-V619 HydrophobicContact CG-CG2 4.14Å; V619-L621 HydrophobicContact CG1-CD2 3.49Å; V619-L621 VanDerWaalsContact CG1-CD2 3.49Å; V619-L621 HydrophobicContact CG1-CG 3.81Å
620	I	92.9	Very high	77.4	Confident	41 Å²	41	46.9 Å²	46.9	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.1	165.4	-58.8	175	0	0	0	107.8	I318 S320 K323 N373	I318-I620 HydrophobicContact CB-CG2 4.28Å; I318-I620 VanDerWaalsContact CD1-O 3.31Å; I318-I620 WeakPolarHBondContact CD1-O 3.3Å; I318-I620 HydrophobicContact CG2-CG2 4.24Å; S320-I620 WeakPolarHBondContact O-CG2 3.14Å; K323-I620 HydrophobicContact CG-CG1 3.88Å; N373-I620 PolarHBondContact ND2-O 2.64Å; N373-I620 WeakPolarHBondContact OD1-CA 3.43Å; N373-I620 VanDerWaalsContact OD1-CB 3.28Å; N373-I620 WeakPolarHBondContact OD1-CB 3.48Å; N373-I620 PolarHBondContact OD1-N 3.23Å
621	L	89	Confident	76.7	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-103.8	155.7	174.9	-64.6	-179.8	0	0	0	111.4	S320 M324 L326 Y345 L356 P400 V619 V625	S320-L621 WeakPolarHBondContact CB-O 3.35Å; M324-L621 HydrophobicContact CB-CD1 4.38Å; M324-L621 HydrophobicContact CG-CD1 4.23Å; M324-L621 HydrophobicContact CG-CG 4.34Å; L326-L621 HydrophobicContact CD1-CD1 4.39Å; Y345-L621 HydrophobicContact CD1-CD1 4.31Å; Y345-L621 HydrophobicContact CD2-CD1 4.26Å; Y345-L621 HydrophobicContact CG-CD1 3.97Å; L356-L621 HydrophobicContact CD1-CD1 4.14Å; L356-L621 HydrophobicContact CD1-CD2 4.12Å; L356-L621 HydrophobicContact CD2-CD1 4.31Å; L356-L621 HydrophobicContact CD2-CD2 3.76Å; P400-L621 HydrophobicContact CB-CD2 3.85Å; V619-L621 HydrophobicContact CG1-CD2 3.49Å; V619-L621 VanDerWaalsContact CG1-CD2 3.49Å; V619-L621 HydrophobicContact CG1-CG 3.81Å; L621-V625 HydrophobicContact CB-CG2 4.21Å; L621-V625 HydrophobicContact CD1-CG2 4.11Å
622	P	82.1	Confident	75.9	Confident	28 Å²	28	49.8 Å²	49.8	18%	0.182	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-61.2	149.1	169.3	-19.3	32.8	0	0	0	111.7	I318 P400 C624 V625	I318-P622 HydrophobicContact CD1-CG 4.14Å; I318-P622 HydrophobicContact CG2-CB 4.42Å; I318-P622 HydrophobicContact CG2-CG 4.47Å; P400-P622 WeakPolarHBondContact O-CD 3.42Å; P400-P622 VanDerWaalsContact O-CG 3.32Å; P400-P622 WeakPolarHBondContact O-CG 3.3Å; P622-C624 VanDerWaalsContact C-N 3.27Å; P622-C624 PolarHBondContact O-N 3.5Å; P622-V625 PolarHBondContact O-N 3.19Å
623	S	68.4	Low	74.9	Confident	70 Å²	70	52.1 Å²	52.1	49%	0.49	28%	0.275	S	S	.	.	S	Bend	trans	-59.1	-37.6	-178.6	-46	0	0	0	0	113	P230 R319	P230-S623 WeakPolarHBondContact CB-OG 3.31Å; R319-S623 PolarHBondContact O-OG 2.8Å
624	C	60.9	Low	73.8	Confident	50 Å²	50	54.9 Å²	54.9	34%	0.338	29%	0.288	S	S	.	.	S	Bend	trans	-102.9	100.6	162.7	-66.1	0	0	0	0	107.6	E234 P622 P626	E234-C624 HydrophobicContact CB-CB 4.13Å; E234-C624 HydrophobicContact CG-CB 4.17Å; E234-C624 VanDerWaalsContact CG-SG 3.6Å; E234-C624 PolarHBondContact OE1-SG 3.47Å; P622-C624 VanDerWaalsContact C-N 3.27Å; P622-C624 PolarHBondContact O-N 3.5Å; C624-P626 WeakPolarHBondContact O-CD 3.44Å
625	V	58.1	Low	72.3	Confident	24 Å²	24	58 Å²	58	15%	0.145	30%	0.303	C	S	.	.			trans	-62	120.2	168.3	178	0	0	0	0	107.2	L356 L621 P622 Y627	L356-V625 HydrophobicContact CD1-CG1 3.41Å; L356-V625 VanDerWaalsContact CD1-CG1 3.41Å; L621-V625 HydrophobicContact CB-CG2 4.21Å; L621-V625 HydrophobicContact CD1-CG2 4.11Å; P622-V625 PolarHBondContact O-N 3.19Å; V625-Y627 PolarHBondContact O-N 3.33Å
626	P	46.9	Very low	70.5	Confident	61 Å²	61	61.3 Å²	61.3	40%	0.396	32%	0.317	S	S	.	.			trans	-69	98.2	174.9	28.8	-33.3	0	0	0	108.1	N403 C624 N628	N403-P626 HydrophobicContact CB-CG 3.85Å; N403-P626 PolarHBondContact ND2-O 3.44Å; C624-P626 WeakPolarHBondContact O-CD 3.44Å; P626-N628 PolarHBondContact O-N 3.24Å
627	Y	39	Very low	68.5	Low	150 Å²	150	65 Å²	65	59%	0.588	34%	0.335	S	S	*	.			trans	-51.1	135	168	-78.8	-84.8	0	0	0	108.8	V625 K629	V625-Y627 PolarHBondContact O-N 3.33Å; Y627-K629 PolarHBondContact O-N 3.44Å
628	N	35	Very low	66.1	Low	84 Å²	84	69.3 Å²	69.3	45%	0.449	36%	0.356	S	S	.	.			trans	-51.6	131.1	178.5	-74.1	-6.2	0	0	0	110.1	N403 P626	N403-N628 PolarHBondContact ND2-OD1 3.2Å; P626-N628 PolarHBondContact O-N 3.24Å
629	K	30.6	Very low	63.4	Low	280 Å²	280	72.7 Å²	72.7	100%	1.217	37%	0.371	S	S	*	.			trans	-76.4	0	161	-76.1	-173.1	176	-178.9	0	110.1	Y627	Y627-K629 PolarHBondContact O-N 3.44Å

Retrieved 629 of 629 residues in 111.8 ms (Link to these results)

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